NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
567125 | 2mbc | 19395 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.507 0.987 -1.377 3 HB2 MET 1 HB2 MET 1 3.113 -1.609 -0.270 4 HB3 MET 1 HB3 MET 1 3.193 -1.658 -2.026 5 HG2 MET 1 HG2 MET 1 5.359 -1.134 -1.290 6 HG3 MET 1 HG3 MET 1 4.675 0.372 -1.899 7 HE1 MET 1 HE1 MET 1 6.517 -1.374 0.362 8 HE2 MET 1 HE2 MET 1 7.250 0.089 1.019 9 HE3 MET 1 HE3 MET 1 6.183 -0.892 2.026 10 H ALA 2 H ALA 2 1.315 1.565 -3.076 11 HA ALA 2 HA ALA 2 0.386 -0.414 -4.923 12 HB1 ALA 2 HB1 ALA 2 -1.943 -0.021 -4.852 13 HB2 ALA 2 HB2 ALA 2 -1.445 -0.310 -3.185 14 HB3 ALA 2 HB3 ALA 2 -1.756 1.335 -3.740 15 H ARG 3 H ARG 3 0.317 2.969 -3.902 16 HA ARG 3 HA ARG 3 0.577 4.918 -5.046 17 HB2 ARG 3 HB2 ARG 3 1.713 3.171 -7.236 18 HB3 ARG 3 HB3 ARG 3 1.954 4.903 -7.045 19 HG2 ARG 3 HG2 ARG 3 3.360 4.631 -5.211 20 HG3 ARG 3 HG3 ARG 3 2.798 2.986 -4.908 21 HD2 ARG 3 HD2 ARG 3 3.784 2.500 -7.263 22 HD3 ARG 3 HD3 ARG 3 4.687 3.991 -6.998 23 HE ARG 3 HE ARG 3 5.116 1.453 -5.720 24 HH11 ARG 3 HH11 ARG 3 5.543 4.899 -5.463 25 HH12 ARG 3 HH12 ARG 3 6.885 4.783 -4.374 26 HH21 ARG 3 HH21 ARG 3 6.883 1.287 -4.286 27 HH22 ARG 3 HH22 ARG 3 7.647 2.728 -3.706 28 H MET 4 H MET 4 0.276 5.703 -7.619 29 HA MET 4 HA MET 4 -1.270 6.215 -9.206 30 HB2 MET 4 HB2 MET 4 -1.129 3.492 -9.230 31 HB3 MET 4 HB3 MET 4 -2.842 3.741 -8.919 32 HG2 MET 4 HG2 MET 4 -2.397 5.498 -10.945 33 HG3 MET 4 HG3 MET 4 -1.279 4.197 -11.347 34 HE1 MET 4 HE1 MET 4 -3.493 1.145 -11.912 35 HE2 MET 4 HE2 MET 4 -1.874 1.801 -11.665 36 HE3 MET 4 HE3 MET 4 -2.933 1.520 -10.282 37 H ASN 5 H ASN 5 -3.941 5.757 -9.494 38 HA ASN 5 HA ASN 5 -5.993 6.407 -8.757 39 HB2 ASN 5 HB2 ASN 5 -4.970 4.788 -6.726 40 HB3 ASN 5 HB3 ASN 5 -5.559 6.222 -5.891 41 HD21 ASN 5 HD21 ASN 5 -7.768 6.828 -6.186 42 HD22 ASN 5 HD22 ASN 5 -8.951 5.630 -6.578 43 H ARG 6 H ARG 6 -7.120 8.163 -7.689 44 HA ARG 6 HA ARG 6 -5.379 10.268 -6.618 45 HB2 ARG 6 HB2 ARG 6 -7.501 10.782 -8.707 46 HB3 ARG 6 HB3 ARG 6 -6.377 11.951 -8.025 47 HG2 ARG 6 HG2 ARG 6 -5.036 11.544 -9.737 48 HG3 ARG 6 HG3 ARG 6 -4.771 9.930 -9.074 49 HD2 ARG 6 HD2 ARG 6 -6.943 10.717 -11.014 50 HD3 ARG 6 HD3 ARG 6 -5.471 9.832 -11.414 51 HE ARG 6 HE ARG 6 -6.592 8.291 -9.508 52 HH11 ARG 6 HH11 ARG 6 -7.828 9.699 -12.442 53 HH12 ARG 6 HH12 ARG 6 -8.974 8.431 -12.723 54 HH21 ARG 6 HH21 ARG 6 -8.097 6.615 -9.867 55 HH22 ARG 6 HH22 ARG 6 -9.127 6.677 -11.257 56 HA PRO 7 HA PRO 7 -9.176 9.636 -4.039 57 HB2 PRO 7 HB2 PRO 7 -7.856 9.735 -1.669 58 HB3 PRO 7 HB3 PRO 7 -8.038 8.247 -2.606 59 HG2 PRO 7 HG2 PRO 7 -5.701 10.111 -2.446 60 HG3 PRO 7 HG3 PRO 7 -5.721 8.338 -2.436 61 HD2 PRO 7 HD2 PRO 7 -5.126 9.775 -4.652 62 HD3 PRO 7 HD3 PRO 7 -5.945 8.201 -4.726 63 H ALA 8 H ALA 8 -10.355 11.405 -3.710 64 HA ALA 8 HA ALA 8 -8.990 13.911 -2.999 65 HB1 ALA 8 HB1 ALA 8 -11.192 13.264 -4.785 66 HB2 ALA 8 HB2 ALA 8 -11.569 14.593 -3.687 67 HB3 ALA 8 HB3 ALA 8 -10.154 14.689 -4.735 68 HA PRO 9 HA PRO 9 -10.991 12.906 0.967 69 HB2 PRO 9 HB2 PRO 9 -9.290 14.423 2.442 70 HB3 PRO 9 HB3 PRO 9 -8.904 12.779 1.919 71 HG2 PRO 9 HG2 PRO 9 -8.059 15.394 0.730 72 HG3 PRO 9 HG3 PRO 9 -7.099 13.929 1.009 73 HD2 PRO 9 HD2 PRO 9 -8.106 14.570 -1.422 74 HD3 PRO 9 HD3 PRO 9 -7.903 12.890 -0.885 75 H VAL 10 H VAL 10 -11.134 14.784 2.910 76 HA VAL 10 HA VAL 10 -12.352 17.139 1.630 77 HB VAL 10 HB VAL 10 -13.529 15.354 3.740 78 HG11 VAL 10 HG11 VAL 10 -13.676 17.510 4.742 79 HG12 VAL 10 HG12 VAL 10 -14.184 18.248 3.221 80 HG13 VAL 10 HG13 VAL 10 -15.262 17.137 4.067 81 HG21 VAL 10 HG21 VAL 10 -15.566 15.767 2.256 82 HG22 VAL 10 HG22 VAL 10 -14.431 16.457 1.095 83 HG23 VAL 10 HG23 VAL 10 -14.270 14.772 1.591 84 H GLU 11 H GLU 11 -11.306 18.897 2.270 85 HA GLU 11 HA GLU 11 -9.971 18.912 4.874 86 HB2 GLU 11 HB2 GLU 11 -8.468 19.579 3.204 87 HB3 GLU 11 HB3 GLU 11 -9.676 20.550 2.375 88 HG2 GLU 11 HG2 GLU 11 -9.624 22.188 4.162 89 HG3 GLU 11 HG3 GLU 11 -8.463 21.202 5.051 90 H VAL 12 H VAL 12 -10.759 20.000 6.549 91 HA VAL 12 HA VAL 12 -12.879 21.988 6.048 92 HB VAL 12 HB VAL 12 -13.796 20.095 7.219 93 HG11 VAL 12 HG11 VAL 12 -12.611 18.857 8.631 94 HG12 VAL 12 HG12 VAL 12 -11.251 19.960 8.414 95 HG13 VAL 12 HG13 VAL 12 -12.408 20.231 9.718 96 HG21 VAL 12 HG21 VAL 12 -13.354 22.273 9.253 97 HG22 VAL 12 HG22 VAL 12 -14.463 22.418 7.890 98 HG23 VAL 12 HG23 VAL 12 -14.736 21.185 9.121 99 H SER 13 H SER 13 -11.991 23.950 6.199 100 HA SER 13 HA SER 13 -9.887 24.460 8.153 101 HB2 SER 13 HB2 SER 13 -9.224 26.173 6.814 102 HB3 SER 13 HB3 SER 13 -10.189 25.334 5.599 103 HG SER 13 HG SER 13 -11.937 26.698 6.163 104 H TYR 14 H TYR 14 -10.284 25.308 10.079 105 HA TYR 14 HA TYR 14 -12.928 26.453 10.602 106 HB2 TYR 14 HB2 TYR 14 -11.430 24.636 12.022 107 HB3 TYR 14 HB3 TYR 14 -11.113 26.137 12.884 108 HD1 TYR 14 HD2 TYR 14 -14.146 24.653 11.269 109 HD2 TYR 14 HD1 TYR 14 -12.404 26.305 14.782 110 HE1 TYR 14 HE2 TYR 14 -16.301 24.434 12.433 111 HE2 TYR 14 HE1 TYR 14 -14.554 26.088 15.957 112 HH TYR 14 HH TYR 14 -16.873 24.219 15.218 113 H LYS 15 H LYS 15 -12.289 27.946 12.877 114 HA LYS 15 HA LYS 15 -11.767 30.453 11.845 115 HB2 LYS 15 HB2 LYS 15 -11.329 31.143 14.199 116 HB3 LYS 15 HB3 LYS 15 -12.802 30.203 14.004 117 HG2 LYS 15 HG2 LYS 15 -11.266 28.190 14.625 118 HG3 LYS 15 HG3 LYS 15 -10.230 29.446 15.306 119 HD2 LYS 15 HD2 LYS 15 -13.156 29.174 15.968 120 HD3 LYS 15 HD3 LYS 15 -11.874 28.406 16.908 121 HE2 LYS 15 HE2 LYS 15 -12.239 31.361 16.429 122 HE3 LYS 15 HE3 LYS 15 -12.518 30.498 17.941 123 HZ1 LYS 15 HZ1 LYS 15 -9.928 30.965 16.578 124 HZ2 LYS 15 HZ2 LYS 15 -10.111 29.871 17.854 125 HZ3 LYS 15 HZ3 LYS 15 -10.410 31.517 18.103 126 H HIS 16 H HIS 16 -9.500 28.329 13.591 127 HA HIS 16 HA HIS 16 -7.297 29.551 12.109 128 HB2 HIS 16 HB2 HIS 16 -7.779 30.467 14.596 129 HB3 HIS 16 HB3 HIS 16 -6.768 29.079 14.989 130 HD1 HIS 16 HD1 HIS 16 -4.357 29.588 15.061 131 HD2 HIS 16 HD2 HIS 16 -6.397 32.164 12.518 132 HE1 HIS 16 HE1 HIS 16 -2.632 31.217 14.228 133 H MET 17 H MET 17 -8.570 27.008 11.852 134 HA MET 17 HA MET 17 -6.236 25.315 12.232 135 HB2 MET 17 HB2 MET 17 -8.873 24.172 13.067 136 HB3 MET 17 HB3 MET 17 -7.249 23.652 13.497 137 HG2 MET 17 HG2 MET 17 -6.986 25.541 14.968 138 HG3 MET 17 HG3 MET 17 -8.549 26.184 14.469 139 HE1 MET 17 HE1 MET 17 -7.979 26.011 17.430 140 HE2 MET 17 HE2 MET 17 -9.620 26.357 16.883 141 HE3 MET 17 HE3 MET 17 -9.343 25.130 18.120 142 H ARG 18 H ARG 18 -6.789 23.035 11.257 143 HA ARG 18 HA ARG 18 -8.733 23.018 9.149 144 HB2 ARG 18 HB2 ARG 18 -6.630 24.388 8.371 145 HB3 ARG 18 HB3 ARG 18 -5.914 22.795 8.172 146 HG2 ARG 18 HG2 ARG 18 -7.386 22.202 6.483 147 HG3 ARG 18 HG3 ARG 18 -8.566 23.429 6.948 148 HD2 ARG 18 HD2 ARG 18 -5.881 23.899 5.660 149 HD3 ARG 18 HD3 ARG 18 -7.461 24.090 4.902 150 HE ARG 18 HE ARG 18 -7.362 25.730 7.167 151 HH11 ARG 18 HH11 ARG 18 -5.898 25.457 4.020 152 HH12 ARG 18 HH12 ARG 18 -5.617 27.159 3.859 153 HH21 ARG 18 HH21 ARG 18 -6.997 27.973 6.967 154 HH22 ARG 18 HH22 ARG 18 -6.242 28.589 5.536 155 H PHE 19 H PHE 19 -9.415 20.992 9.004 156 HA PHE 19 HA PHE 19 -7.525 18.825 9.650 157 HB2 PHE 19 HB2 PHE 19 -10.457 19.117 10.277 158 HB3 PHE 19 HB3 PHE 19 -9.659 17.547 10.290 159 HD1 PHE 19 HD1 PHE 19 -8.844 20.965 11.560 160 HD2 PHE 19 HD2 PHE 19 -9.165 16.803 12.393 161 HE1 PHE 19 HE1 PHE 19 -8.094 21.373 13.867 162 HE2 PHE 19 HE2 PHE 19 -8.416 17.204 14.702 163 HZ PHE 19 HZ PHE 19 -7.880 19.491 15.442 164 H LEU 20 H LEU 20 -8.234 16.676 8.691 165 HA LEU 20 HA LEU 20 -9.469 17.029 6.049 166 HB2 LEU 20 HB2 LEU 20 -6.725 16.408 6.614 167 HB3 LEU 20 HB3 LEU 20 -7.486 15.055 5.779 168 HG LEU 20 HG LEU 20 -6.451 16.429 4.137 169 HD11 LEU 20 HD11 LEU 20 -9.269 16.024 4.229 170 HD12 LEU 20 HD12 LEU 20 -8.199 16.060 2.828 171 HD13 LEU 20 HD13 LEU 20 -8.938 17.551 3.411 172 HD21 LEU 20 HD21 LEU 20 -6.795 18.778 3.912 173 HD22 LEU 20 HD22 LEU 20 -6.335 18.464 5.585 174 HD23 LEU 20 HD23 LEU 20 -8.022 18.778 5.178 175 H ILE 21 H ILE 21 -11.266 15.847 6.185 176 HA ILE 21 HA ILE 21 -11.289 13.362 7.700 177 HB ILE 21 HB ILE 21 -13.768 13.457 6.686 178 HG12 ILE 21 HG12 ILE 21 -12.922 15.658 5.506 179 HG13 ILE 21 HG13 ILE 21 -14.550 15.567 6.169 180 HG21 ILE 21 HG21 ILE 21 -13.340 13.333 9.023 181 HG22 ILE 21 HG22 ILE 21 -12.680 14.968 9.050 182 HG23 ILE 21 HG23 ILE 21 -14.401 14.717 8.761 183 HD11 ILE 21 HD11 ILE 21 -14.032 16.930 7.960 184 HD12 ILE 21 HD12 ILE 21 -12.300 16.623 7.824 185 HD13 ILE 21 HD13 ILE 21 -13.110 17.648 6.639 186 H THR 22 H THR 22 -10.987 11.437 6.808 187 HA THR 22 HA THR 22 -10.557 11.130 4.010 188 HB THR 22 HB THR 22 -11.039 8.663 5.536 189 HG1 THR 22 HG1 THR 22 -9.294 8.944 6.914 190 HG21 THR 22 HG21 THR 22 -9.701 9.322 3.270 191 HG22 THR 22 HG22 THR 22 -9.386 7.868 4.218 192 HG23 THR 22 HG23 THR 22 -8.381 9.300 4.439 193 H HIS 23 H HIS 23 -12.072 10.948 2.507 194 HA HIS 23 HA HIS 23 -14.794 10.754 2.925 195 HB2 HIS 23 HB2 HIS 23 -13.084 10.903 0.701 196 HB3 HIS 23 HB3 HIS 23 -14.084 9.479 0.432 197 HD1 HIS 23 HD1 HIS 23 -14.253 12.222 -1.174 198 HD2 HIS 23 HD2 HIS 23 -16.807 10.975 1.856 199 HE1 HIS 23 HE1 HIS 23 -16.396 13.486 -1.539 200 H ASN 24 H ASN 24 -12.540 8.133 2.078 201 HA ASN 24 HA ASN 24 -14.633 6.180 2.717 202 HB2 ASN 24 HB2 ASN 24 -12.338 6.228 0.891 203 HB3 ASN 24 HB3 ASN 24 -12.482 4.727 1.801 204 HD21 ASN 24 HD21 ASN 24 -13.389 3.273 0.543 205 HD22 ASN 24 HD22 ASN 24 -14.786 3.513 -0.444 206 HA PRO 25 HA PRO 25 -12.787 4.861 6.473 207 HB2 PRO 25 HB2 PRO 25 -13.099 2.166 6.367 208 HB3 PRO 25 HB3 PRO 25 -14.447 3.279 6.625 209 HG2 PRO 25 HG2 PRO 25 -13.566 1.923 4.106 210 HG3 PRO 25 HG3 PRO 25 -15.207 2.153 4.737 211 HD2 PRO 25 HD2 PRO 25 -14.165 3.715 2.786 212 HD3 PRO 25 HD3 PRO 25 -15.330 4.326 3.979 213 H THR 26 H THR 26 -10.621 5.533 5.780 214 HA THR 26 HA THR 26 -8.383 5.194 5.538 215 HB THR 26 HB THR 26 -8.323 2.324 6.036 216 HG1 THR 26 HG1 THR 26 -9.490 2.250 7.846 217 HG21 THR 26 HG21 THR 26 -6.461 3.968 6.354 218 HG22 THR 26 HG22 THR 26 -6.786 2.959 7.763 219 HG23 THR 26 HG23 THR 26 -7.352 4.628 7.724 220 H ASN 27 H ASN 27 -6.706 3.702 4.407 221 HA ASN 27 HA ASN 27 -7.860 2.929 1.814 222 HB2 ASN 27 HB2 ASN 27 -5.299 4.216 2.619 223 HB3 ASN 27 HB3 ASN 27 -5.258 3.135 1.229 224 HD21 ASN 27 HD21 ASN 27 -5.290 4.286 -0.554 225 HD22 ASN 27 HD22 ASN 27 -6.300 5.652 -0.868 226 H ALA 28 H ALA 28 -7.125 1.040 0.768 227 HA ALA 28 HA ALA 28 -6.440 -1.095 2.598 228 HB1 ALA 28 HB1 ALA 28 -6.962 -1.218 -0.370 229 HB2 ALA 28 HB2 ALA 28 -6.895 -2.583 0.746 230 HB3 ALA 28 HB3 ALA 28 -8.188 -1.393 0.886 231 H THR 29 H THR 29 -4.688 1.100 0.853 232 HA THR 29 HA THR 29 -2.413 -0.756 0.575 233 HB THR 29 HB THR 29 -2.734 -0.096 -1.614 234 HG1 THR 29 HG1 THR 29 -1.222 1.836 -1.869 235 HG21 THR 29 HG21 THR 29 -3.483 2.647 -0.595 236 HG22 THR 29 HG22 THR 29 -4.581 1.431 -1.249 237 HG23 THR 29 HG23 THR 29 -3.383 2.193 -2.296 238 H LEU 30 H LEU 30 -3.548 2.325 1.749 239 HA LEU 30 HA LEU 30 -2.703 3.670 3.395 240 HB2 LEU 30 HB2 LEU 30 -1.624 1.397 4.109 241 HB3 LEU 30 HB3 LEU 30 -0.149 2.128 3.480 242 HG LEU 30 HG LEU 30 -0.444 3.997 5.080 243 HD11 LEU 30 HD11 LEU 30 -2.256 4.259 6.354 244 HD12 LEU 30 HD12 LEU 30 -2.309 2.551 6.787 245 HD13 LEU 30 HD13 LEU 30 -3.031 3.099 5.275 246 HD21 LEU 30 HD21 LEU 30 0.258 1.271 5.654 247 HD22 LEU 30 HD22 LEU 30 -0.401 2.049 7.093 248 HD23 LEU 30 HD23 LEU 30 0.978 2.764 6.257 249 H SER 31 H SER 31 -0.156 2.544 1.175 250 HA SER 31 HA SER 31 1.528 4.673 1.134 251 HB2 SER 31 HB2 SER 31 0.998 2.481 -0.572 252 HB3 SER 31 HB3 SER 31 1.062 3.913 -1.599 253 HG SER 31 HG SER 31 3.138 3.232 -1.411 254 H THR 32 H THR 32 -1.227 4.357 -1.113 255 HA THR 32 HA THR 32 -1.077 6.949 -2.150 256 HB THR 32 HB THR 32 -3.621 5.347 -1.864 257 HG1 THR 32 HG1 THR 32 -1.652 5.207 -3.924 258 HG21 THR 32 HG21 THR 32 -3.097 7.863 -2.979 259 HG22 THR 32 HG22 THR 32 -4.554 6.889 -3.177 260 HG23 THR 32 HG23 THR 32 -3.240 6.759 -4.346 261 H PHE 33 H PHE 33 -2.792 5.680 0.657 262 HA PHE 33 HA PHE 33 -4.361 7.924 1.237 263 HB2 PHE 33 HB2 PHE 33 -5.027 6.165 2.532 264 HB3 PHE 33 HB3 PHE 33 -3.387 5.564 2.748 265 HD1 PHE 33 HD1 PHE 33 -5.327 8.625 3.654 266 HD2 PHE 33 HD2 PHE 33 -2.611 5.593 4.897 267 HE1 PHE 33 HE1 PHE 33 -5.273 9.603 5.911 268 HE2 PHE 33 HE2 PHE 33 -2.553 6.566 7.156 269 HZ PHE 33 HZ PHE 33 -3.886 8.573 7.666 270 H ILE 34 H ILE 34 -1.131 7.028 2.424 271 HA ILE 34 HA ILE 34 -0.718 9.222 4.097 272 HB ILE 34 HB ILE 34 1.385 7.757 2.500 273 HG12 ILE 34 HG12 ILE 34 0.666 7.161 5.352 274 HG13 ILE 34 HG13 ILE 34 -0.260 6.437 4.042 275 HG21 ILE 34 HG21 ILE 34 2.526 8.448 4.868 276 HG22 ILE 34 HG22 ILE 34 2.682 9.367 3.372 277 HG23 ILE 34 HG23 ILE 34 1.474 9.831 4.570 278 HD11 ILE 34 HD11 ILE 34 1.526 5.174 3.307 279 HD12 ILE 34 HD12 ILE 34 2.716 6.218 4.085 280 HD13 ILE 34 HD13 ILE 34 1.717 5.140 5.060 281 H GLU 35 H GLU 35 -0.153 8.841 0.634 282 HA GLU 35 HA GLU 35 1.201 11.290 0.243 283 HB2 GLU 35 HB2 GLU 35 -0.508 9.928 -1.830 284 HB3 GLU 35 HB3 GLU 35 0.927 10.913 -2.080 285 HG2 GLU 35 HG2 GLU 35 1.738 8.790 -0.449 286 HG3 GLU 35 HG3 GLU 35 0.705 8.083 -1.690 287 H ASP 36 H ASP 36 -2.198 10.403 0.264 288 HA ASP 36 HA ASP 36 -3.263 12.745 -0.847 289 HB2 ASP 36 HB2 ASP 36 -4.308 10.394 0.078 290 HB3 ASP 36 HB3 ASP 36 -4.854 11.529 1.309 291 H LEU 37 H LEU 37 -2.750 11.878 2.569 292 HA LEU 37 HA LEU 37 -3.550 14.445 3.531 293 HB2 LEU 37 HB2 LEU 37 -2.705 13.655 5.694 294 HB3 LEU 37 HB3 LEU 37 -3.789 12.496 4.928 295 HG LEU 37 HG LEU 37 -1.584 11.374 4.115 296 HD11 LEU 37 HD11 LEU 37 -0.584 13.496 5.761 297 HD12 LEU 37 HD12 LEU 37 0.302 12.321 4.790 298 HD13 LEU 37 HD13 LEU 37 -0.140 11.935 6.453 299 HD21 LEU 37 HD21 LEU 37 -3.340 10.905 6.161 300 HD22 LEU 37 HD22 LEU 37 -1.786 10.929 6.995 301 HD23 LEU 37 HD23 LEU 37 -2.049 9.816 5.651 302 H LYS 38 H LYS 38 -0.616 13.114 2.328 303 HA LYS 38 HA LYS 38 1.112 15.050 3.586 304 HB2 LYS 38 HB2 LYS 38 1.451 12.788 1.681 305 HB3 LYS 38 HB3 LYS 38 2.681 14.046 1.675 306 HG2 LYS 38 HG2 LYS 38 2.576 13.625 4.294 307 HG3 LYS 38 HG3 LYS 38 2.024 12.038 3.750 308 HD2 LYS 38 HD2 LYS 38 4.505 13.343 2.659 309 HD3 LYS 38 HD3 LYS 38 4.529 12.329 4.103 310 HE2 LYS 38 HE2 LYS 38 4.648 10.527 2.813 311 HE3 LYS 38 HE3 LYS 38 3.077 10.931 2.123 312 HZ1 LYS 38 HZ1 LYS 38 4.009 11.803 0.274 313 HZ2 LYS 38 HZ2 LYS 38 5.258 10.730 0.662 314 HZ3 LYS 38 HZ3 LYS 38 5.389 12.365 1.075 315 H LYS 39 H LYS 39 -0.455 14.619 0.469 316 HA LYS 39 HA LYS 39 0.892 16.810 -0.791 317 HB2 LYS 39 HB2 LYS 39 -0.630 16.454 -2.633 318 HB3 LYS 39 HB3 LYS 39 -0.062 14.895 -2.050 319 HG2 LYS 39 HG2 LYS 39 -2.142 14.520 -0.892 320 HG3 LYS 39 HG3 LYS 39 -2.709 16.134 -1.325 321 HD2 LYS 39 HD2 LYS 39 -1.936 14.099 -3.399 322 HD3 LYS 39 HD3 LYS 39 -3.566 14.181 -2.726 323 HE2 LYS 39 HE2 LYS 39 -2.898 16.810 -3.413 324 HE3 LYS 39 HE3 LYS 39 -2.333 15.814 -4.754 325 HZ1 LYS 39 HZ1 LYS 39 -5.082 16.025 -3.676 326 HZ2 LYS 39 HZ2 LYS 39 -4.609 14.769 -4.705 327 HZ3 LYS 39 HZ3 LYS 39 -4.546 16.371 -5.243 328 H TYR 40 H TYR 40 -2.166 16.364 0.892 329 HA TYR 40 HA TYR 40 -3.263 18.897 0.238 330 HB2 TYR 40 HB2 TYR 40 -3.909 16.693 2.104 331 HB3 TYR 40 HB3 TYR 40 -4.513 18.283 2.557 332 HD1 TYR 40 HD2 TYR 40 -4.398 15.960 -0.364 333 HD2 TYR 40 HD1 TYR 40 -6.545 18.999 1.701 334 HE1 TYR 40 HE2 TYR 40 -6.281 15.680 -1.921 335 HE2 TYR 40 HE1 TYR 40 -8.434 18.726 0.150 336 HH TYR 40 HH TYR 40 -8.247 16.503 -2.600 337 H GLY 41 H GLY 41 -0.676 18.049 2.185 338 HA2 GLY 41 HA2 GLY 41 0.719 19.499 3.361 339 HA3 GLY 41 HA3 GLY 41 -0.526 20.735 3.263 340 H ALA 42 H ALA 42 -1.144 17.503 4.453 341 HA ALA 42 HA ALA 42 -1.724 18.661 7.090 342 HB1 ALA 42 HB1 ALA 42 -3.531 17.462 5.796 343 HB2 ALA 42 HB2 ALA 42 -2.627 15.974 6.084 344 HB3 ALA 42 HB3 ALA 42 -3.260 16.899 7.446 345 H THR 43 H THR 43 -0.231 18.369 8.598 346 HA THR 43 HA THR 43 1.711 16.216 8.348 347 HB THR 43 HB THR 43 2.944 17.297 10.109 348 HG1 THR 43 HG1 THR 43 0.501 18.620 10.529 349 HG21 THR 43 HG21 THR 43 1.857 19.546 8.431 350 HG22 THR 43 HG22 THR 43 2.907 18.296 7.763 351 HG23 THR 43 HG23 THR 43 3.490 19.338 9.061 352 H THR 44 H THR 44 -0.948 15.402 8.922 353 HA THR 44 HA THR 44 -0.459 13.978 11.414 354 HB THR 44 HB THR 44 -3.205 14.659 11.511 355 HG1 THR 44 HG1 THR 44 -1.526 16.959 11.352 356 HG21 THR 44 HG21 THR 44 -2.725 15.260 13.700 357 HG22 THR 44 HG22 THR 44 -1.135 15.899 13.284 358 HG23 THR 44 HG23 THR 44 -1.404 14.157 13.321 359 H VAL 45 H VAL 45 -1.329 11.952 11.453 360 HA VAL 45 HA VAL 45 -2.462 10.989 8.955 361 HB VAL 45 HB VAL 45 -2.003 9.217 11.320 362 HG11 VAL 45 HG11 VAL 45 -2.083 8.970 8.356 363 HG12 VAL 45 HG12 VAL 45 -1.083 7.839 9.270 364 HG13 VAL 45 HG13 VAL 45 -2.813 7.950 9.596 365 HG21 VAL 45 HG21 VAL 45 0.356 8.982 10.710 366 HG22 VAL 45 HG22 VAL 45 0.177 10.267 9.516 367 HG23 VAL 45 HG23 VAL 45 -0.012 10.626 11.233 368 H VAL 46 H VAL 46 -4.456 10.024 8.725 369 HA VAL 46 HA VAL 46 -6.501 10.903 10.529 370 HB VAL 46 HB VAL 46 -8.065 10.109 8.983 371 HG11 VAL 46 HG11 VAL 46 -5.542 10.968 7.604 372 HG12 VAL 46 HG12 VAL 46 -7.029 10.660 6.704 373 HG13 VAL 46 HG13 VAL 46 -6.993 11.911 7.947 374 HG21 VAL 46 HG21 VAL 46 -6.055 8.026 8.499 375 HG22 VAL 46 HG22 VAL 46 -7.815 7.933 8.473 376 HG23 VAL 46 HG23 VAL 46 -6.945 8.544 7.067 377 H ARG 47 H ARG 47 -4.616 9.143 11.762 378 HA ARG 47 HA ARG 47 -5.594 6.503 11.975 379 HB2 ARG 47 HB2 ARG 47 -3.705 8.208 13.521 380 HB3 ARG 47 HB3 ARG 47 -4.325 6.760 14.304 381 HG2 ARG 47 HG2 ARG 47 -3.437 5.367 12.567 382 HG3 ARG 47 HG3 ARG 47 -2.962 6.780 11.621 383 HD2 ARG 47 HD2 ARG 47 -0.980 6.094 12.643 384 HD3 ARG 47 HD3 ARG 47 -1.543 7.422 13.656 385 HE ARG 47 HE ARG 47 -1.824 5.942 15.381 386 HH11 ARG 47 HH11 ARG 47 -1.471 4.175 12.402 387 HH12 ARG 47 HH12 ARG 47 -1.366 2.630 13.179 388 HH21 ARG 47 HH21 ARG 47 -1.688 3.914 16.416 389 HH22 ARG 47 HH22 ARG 47 -1.491 2.483 15.462 390 H VAL 48 H VAL 48 -7.138 9.249 12.772 391 HA VAL 48 HA VAL 48 -8.158 8.696 15.362 392 HB VAL 48 HB VAL 48 -9.562 10.317 13.242 393 HG11 VAL 48 HG11 VAL 48 -9.826 9.937 16.147 394 HG12 VAL 48 HG12 VAL 48 -9.908 11.610 15.592 395 HG13 VAL 48 HG13 VAL 48 -11.029 10.410 14.948 396 HG21 VAL 48 HG21 VAL 48 -6.989 10.779 14.499 397 HG22 VAL 48 HG22 VAL 48 -7.757 11.625 13.156 398 HG23 VAL 48 HG23 VAL 48 -8.130 12.085 14.817 399 H CYS 49 H CYS 49 -8.635 6.397 15.055 400 HA CYS 49 HA CYS 49 -11.363 5.886 14.827 401 HB2 CYS 49 HB2 CYS 49 -11.522 4.649 12.742 402 HB3 CYS 49 HB3 CYS 49 -10.985 6.292 12.415 403 HG CYS 49 HG CYS 49 -9.334 3.379 12.009 404 H GLU 50 H GLU 50 -11.389 3.240 13.970 405 HA GLU 50 HA GLU 50 -10.227 1.947 16.235 406 HB2 GLU 50 HB2 GLU 50 -12.404 1.378 14.897 407 HB3 GLU 50 HB3 GLU 50 -11.312 0.444 13.882 408 HG2 GLU 50 HG2 GLU 50 -10.889 -1.096 15.507 409 HG3 GLU 50 HG3 GLU 50 -11.175 0.044 16.819 410 H VAL 51 H VAL 51 -8.039 2.903 15.337 411 HA VAL 51 HA VAL 51 -6.752 1.300 13.321 412 HB VAL 51 HB VAL 51 -4.692 2.557 14.008 413 HG11 VAL 51 HG11 VAL 51 -6.426 3.288 12.271 414 HG12 VAL 51 HG12 VAL 51 -6.954 4.458 13.482 415 HG13 VAL 51 HG13 VAL 51 -5.301 4.507 12.869 416 HG21 VAL 51 HG21 VAL 51 -5.962 2.960 16.362 417 HG22 VAL 51 HG22 VAL 51 -4.618 3.946 15.782 418 HG23 VAL 51 HG23 VAL 51 -6.278 4.495 15.553 419 H THR 52 H THR 52 -5.125 -0.211 13.610 420 HA THR 52 HA THR 52 -4.331 -0.977 16.297 421 HB THR 52 HB THR 52 -5.001 -3.294 16.098 422 HG1 THR 52 HG1 THR 52 -6.567 -3.652 14.212 423 HG21 THR 52 HG21 THR 52 -7.328 -1.469 15.481 424 HG22 THR 52 HG22 THR 52 -6.624 -1.732 17.076 425 HG23 THR 52 HG23 THR 52 -7.428 -3.058 16.237 426 H TYR 53 H TYR 53 -2.863 0.129 14.165 427 HA TYR 53 HA TYR 53 -0.976 -2.062 13.677 428 HB2 TYR 53 HB2 TYR 53 -0.665 -1.480 11.385 429 HB3 TYR 53 HB3 TYR 53 -2.400 -1.634 11.634 430 HD1 TYR 53 HD1 TYR 53 0.357 0.748 11.102 431 HD2 TYR 53 HD2 TYR 53 -3.858 0.255 11.401 432 HE1 TYR 53 HE1 TYR 53 0.034 3.011 10.192 433 HE2 TYR 53 HE2 TYR 53 -4.193 2.515 10.492 434 HH TYR 53 HH TYR 53 -1.572 4.372 9.169 435 H ASP 54 H ASP 54 1.195 -1.440 13.518 436 HA ASP 54 HA ASP 54 1.853 0.946 14.972 437 HB2 ASP 54 HB2 ASP 54 3.302 -1.438 13.978 438 HB3 ASP 54 HB3 ASP 54 4.258 0.032 14.143 439 H LYS 55 H LYS 55 2.546 2.855 14.219 440 HA LYS 55 HA LYS 55 2.296 3.448 11.443 441 HB2 LYS 55 HB2 LYS 55 3.284 5.700 12.216 442 HB3 LYS 55 HB3 LYS 55 1.714 5.222 12.848 443 HG2 LYS 55 HG2 LYS 55 3.932 4.313 14.501 444 HG3 LYS 55 HG3 LYS 55 3.857 6.068 14.331 445 HD2 LYS 55 HD2 LYS 55 2.039 6.213 15.624 446 HD3 LYS 55 HD3 LYS 55 1.244 4.872 14.795 447 HE2 LYS 55 HE2 LYS 55 1.519 3.800 16.750 448 HE3 LYS 55 HE3 LYS 55 3.172 3.562 16.186 449 HZ1 LYS 55 HZ1 LYS 55 2.371 4.860 18.481 450 HZ2 LYS 55 HZ2 LYS 55 2.894 6.089 17.443 451 HZ3 LYS 55 HZ3 LYS 55 3.933 4.812 17.832 452 H THR 56 H THR 56 3.759 2.565 10.099 453 HA THR 56 HA THR 56 6.598 2.653 10.815 454 HB THR 56 HB THR 56 6.756 0.696 9.769 455 HG1 THR 56 HG1 THR 56 6.743 0.687 7.596 456 HG21 THR 56 HG21 THR 56 3.861 1.039 8.973 457 HG22 THR 56 HG22 THR 56 4.427 0.381 10.509 458 HG23 THR 56 HG23 THR 56 4.762 -0.476 9.005 459 HA PRO 57 HA PRO 57 6.544 4.822 6.496 460 HB2 PRO 57 HB2 PRO 57 4.119 5.433 5.440 461 HB3 PRO 57 HB3 PRO 57 4.939 3.896 5.139 462 HG2 PRO 57 HG2 PRO 57 2.748 4.526 7.079 463 HG3 PRO 57 HG3 PRO 57 2.930 3.119 6.015 464 HD2 PRO 57 HD2 PRO 57 3.547 3.042 8.651 465 HD3 PRO 57 HD3 PRO 57 4.413 2.076 7.438 466 H LEU 58 H LEU 58 3.373 5.978 7.607 467 HA LEU 58 HA LEU 58 3.879 8.671 7.437 468 HB2 LEU 58 HB2 LEU 58 1.997 9.028 8.842 469 HB3 LEU 58 HB3 LEU 58 1.676 7.593 7.872 470 HG LEU 58 HG LEU 58 0.859 7.201 10.079 471 HD11 LEU 58 HD11 LEU 58 1.870 5.161 10.536 472 HD12 LEU 58 HD12 LEU 58 3.467 5.731 10.053 473 HD13 LEU 58 HD13 LEU 58 2.236 5.419 8.830 474 HD21 LEU 58 HD21 LEU 58 2.757 8.923 10.940 475 HD22 LEU 58 HD22 LEU 58 3.464 7.384 11.433 476 HD23 LEU 58 HD23 LEU 58 1.854 7.836 11.995 477 H GLU 59 H GLU 59 5.126 6.444 9.714 478 HA GLU 59 HA GLU 59 5.646 8.264 11.842 479 HB2 GLU 59 HB2 GLU 59 5.642 6.022 12.495 480 HB3 GLU 59 HB3 GLU 59 6.627 5.521 11.128 481 HG2 GLU 59 HG2 GLU 59 8.583 6.114 12.135 482 HG3 GLU 59 HG3 GLU 59 7.829 7.372 13.112 483 H LYS 60 H LYS 60 7.756 6.830 9.352 484 HA LYS 60 HA LYS 60 9.988 8.469 10.026 485 HB2 LYS 60 HB2 LYS 60 9.521 7.004 7.427 486 HB3 LYS 60 HB3 LYS 60 11.064 7.507 8.104 487 HG2 LYS 60 HG2 LYS 60 9.226 5.374 9.164 488 HG3 LYS 60 HG3 LYS 60 10.811 5.150 8.419 489 HD2 LYS 60 HD2 LYS 60 11.868 6.324 10.268 490 HD3 LYS 60 HD3 LYS 60 10.290 6.629 10.999 491 HE2 LYS 60 HE2 LYS 60 10.739 4.758 12.165 492 HE3 LYS 60 HE3 LYS 60 10.200 3.940 10.699 493 HZ1 LYS 60 HZ1 LYS 60 12.301 3.345 10.146 494 HZ2 LYS 60 HZ2 LYS 60 12.511 3.413 11.823 495 HZ3 LYS 60 HZ3 LYS 60 13.014 4.706 10.855 496 H ASP 61 H ASP 61 7.169 8.967 8.173 497 HA ASP 61 HA ASP 61 8.244 10.941 6.391 498 HB2 ASP 61 HB2 ASP 61 5.713 9.608 6.797 499 HB3 ASP 61 HB3 ASP 61 5.473 11.342 6.601 500 H GLY 62 H GLY 62 7.771 10.976 9.640 501 HA2 GLY 62 HA2 GLY 62 7.843 12.687 11.177 502 HA3 GLY 62 HA3 GLY 62 8.094 13.795 9.836 503 H ILE 63 H ILE 63 5.319 11.683 10.002 504 HA ILE 63 HA ILE 63 3.606 14.053 10.221 505 HB ILE 63 HB ILE 63 2.995 11.255 9.268 506 HG12 ILE 63 HG12 ILE 63 2.694 13.762 7.656 507 HG13 ILE 63 HG13 ILE 63 4.291 13.049 7.853 508 HG21 ILE 63 HG21 ILE 63 0.762 12.106 8.711 509 HG22 ILE 63 HG22 ILE 63 1.071 12.152 10.446 510 HG23 ILE 63 HG23 ILE 63 1.158 13.635 9.496 511 HD11 ILE 63 HD11 ILE 63 3.439 12.211 5.832 512 HD12 ILE 63 HD12 ILE 63 3.285 10.897 6.998 513 HD13 ILE 63 HD13 ILE 63 1.870 11.850 6.551 514 H THR 64 H THR 64 2.276 14.383 11.903 515 HA THR 64 HA THR 64 2.624 12.976 14.312 516 HB THR 64 HB THR 64 0.556 14.975 13.419 517 HG1 THR 64 HG1 THR 64 2.935 14.987 14.895 518 HG21 THR 64 HG21 THR 64 -0.591 13.567 15.004 519 HG22 THR 64 HG22 THR 64 -0.159 15.078 15.803 520 HG23 THR 64 HG23 THR 64 0.783 13.619 16.107 521 H VAL 65 H VAL 65 1.804 11.109 14.978 522 HA VAL 65 HA VAL 65 -0.217 9.759 13.422 523 HB VAL 65 HB VAL 65 1.207 8.141 14.118 524 HG11 VAL 65 HG11 VAL 65 2.815 9.434 15.234 525 HG12 VAL 65 HG12 VAL 65 1.698 9.863 16.530 526 HG13 VAL 65 HG13 VAL 65 2.323 8.217 16.411 527 HG21 VAL 65 HG21 VAL 65 -1.151 7.972 15.332 528 HG22 VAL 65 HG22 VAL 65 0.120 6.775 15.580 529 HG23 VAL 65 HG23 VAL 65 -0.128 8.056 16.766 530 H VAL 66 H VAL 66 -2.275 10.341 13.689 531 HA VAL 66 HA VAL 66 -3.233 11.007 16.385 532 HB VAL 66 HB VAL 66 -4.747 11.436 13.817 533 HG11 VAL 66 HG11 VAL 66 -4.948 12.879 16.453 534 HG12 VAL 66 HG12 VAL 66 -6.054 12.974 15.081 535 HG13 VAL 66 HG13 VAL 66 -5.941 11.487 16.023 536 HG21 VAL 66 HG21 VAL 66 -2.606 12.591 13.631 537 HG22 VAL 66 HG22 VAL 66 -3.927 13.743 13.827 538 HG23 VAL 66 HG23 VAL 66 -2.878 13.364 15.193 539 H ASP 67 H ASP 67 -3.432 8.861 17.131 540 HA ASP 67 HA ASP 67 -5.509 7.254 15.801 541 HB2 ASP 67 HB2 ASP 67 -4.509 5.441 17.412 542 HB3 ASP 67 HB3 ASP 67 -3.674 5.849 15.916 543 H TRP 68 H TRP 68 -7.446 7.486 16.689 544 HA TRP 68 HA TRP 68 -7.713 7.290 19.586 545 HB2 TRP 68 HB2 TRP 68 -9.065 9.516 18.051 546 HB3 TRP 68 HB3 TRP 68 -9.106 9.243 19.791 547 HD1 TRP 68 HD1 TRP 68 -7.453 11.364 17.357 548 HE1 TRP 68 HE1 TRP 68 -5.297 12.397 18.310 549 HE3 TRP 68 HE3 TRP 68 -6.867 8.375 21.463 550 HZ2 TRP 68 HZ2 TRP 68 -3.576 11.998 20.511 551 HZ3 TRP 68 HZ3 TRP 68 -4.939 8.767 22.941 552 HH2 TRP 68 HH2 TRP 68 -3.329 10.541 22.473 553 HA PRO 69 HA PRO 69 -11.114 4.730 18.473 554 HB2 PRO 69 HB2 PRO 69 -12.504 4.806 20.804 555 HB3 PRO 69 HB3 PRO 69 -10.998 3.899 20.612 556 HG2 PRO 69 HG2 PRO 69 -11.442 6.600 21.824 557 HG3 PRO 69 HG3 PRO 69 -10.422 5.269 22.400 558 HD2 PRO 69 HD2 PRO 69 -9.418 7.405 21.073 559 HD3 PRO 69 HD3 PRO 69 -8.712 5.781 20.942 560 H PHE 70 H PHE 70 -11.331 7.445 17.578 561 HA PHE 70 HA PHE 70 -13.797 8.600 18.376 562 HB2 PHE 70 HB2 PHE 70 -11.919 9.020 16.076 563 HB3 PHE 70 HB3 PHE 70 -13.499 9.797 16.070 564 HD1 PHE 70 HD2 PHE 70 -11.319 9.172 18.998 565 HD2 PHE 70 HD1 PHE 70 -12.925 12.050 16.304 566 HE1 PHE 70 HE2 PHE 70 -10.430 10.983 20.407 567 HE2 PHE 70 HE1 PHE 70 -12.038 13.865 17.708 568 HZ PHE 70 HZ PHE 70 -10.790 13.332 19.764 569 H ASP 71 H ASP 71 -13.029 5.954 16.392 570 HA ASP 71 HA ASP 71 -15.506 6.107 14.861 571 HB2 ASP 71 HB2 ASP 71 -13.530 5.410 13.641 572 HB3 ASP 71 HB3 ASP 71 -13.228 4.119 14.800 573 H ASP 72 H ASP 72 -16.985 5.848 16.591 574 HA ASP 72 HA ASP 72 -18.427 4.649 17.879 575 HB2 ASP 72 HB2 ASP 72 -17.866 3.002 15.782 576 HB3 ASP 72 HB3 ASP 72 -17.371 1.997 17.141 577 H GLY 73 H GLY 73 -18.547 3.442 19.852 578 HA2 GLY 73 HA2 GLY 73 -17.734 2.560 21.823 579 HA3 GLY 73 HA3 GLY 73 -16.210 2.256 21.003 580 H ALA 74 H ALA 74 -14.577 3.231 21.980 581 HA ALA 74 HA ALA 74 -13.313 4.783 23.062 582 HB1 ALA 74 HB1 ALA 74 -13.402 6.453 21.565 583 HB2 ALA 74 HB2 ALA 74 -15.157 6.359 21.410 584 HB3 ALA 74 HB3 ALA 74 -14.437 7.233 22.762 585 HA PRO 75 HA PRO 75 -14.960 5.482 27.068 586 HB2 PRO 75 HB2 PRO 75 -13.627 7.698 27.894 587 HB3 PRO 75 HB3 PRO 75 -12.854 6.117 27.731 588 HG2 PRO 75 HG2 PRO 75 -12.821 8.445 25.849 589 HG3 PRO 75 HG3 PRO 75 -11.488 7.382 26.338 590 HD2 PRO 75 HD2 PRO 75 -12.794 7.093 23.984 591 HD3 PRO 75 HD3 PRO 75 -12.114 5.716 24.874 592 HA PRO 76 HA PRO 76 -18.165 8.488 27.290 593 HB2 PRO 76 HB2 PRO 76 -17.991 9.497 29.805 594 HB3 PRO 76 HB3 PRO 76 -18.554 7.856 29.464 595 HG2 PRO 76 HG2 PRO 76 -15.852 8.785 30.356 596 HG3 PRO 76 HG3 PRO 76 -16.795 7.390 30.911 597 HD2 PRO 76 HD2 PRO 76 -14.758 7.161 29.142 598 HD3 PRO 76 HD3 PRO 76 -16.178 6.096 29.106 599 HA PRO 77 HA PRO 77 -16.941 12.644 26.529 600 HB2 PRO 77 HB2 PRO 77 -18.822 14.139 27.792 601 HB3 PRO 77 HB3 PRO 77 -19.159 13.208 26.327 602 HG2 PRO 77 HG2 PRO 77 -19.730 12.518 29.184 603 HG3 PRO 77 HG3 PRO 77 -20.760 12.310 27.755 604 HD2 PRO 77 HD2 PRO 77 -19.350 10.270 28.844 605 HD3 PRO 77 HD3 PRO 77 -19.682 10.380 27.103 606 H GLY 78 H GLY 78 -14.951 12.641 27.698 607 HA2 GLY 78 HA2 GLY 78 -14.546 14.696 29.471 608 HA3 GLY 78 HA3 GLY 78 -14.856 13.294 30.485 609 H LYS 79 H LYS 79 -13.615 11.439 28.583 610 HA LYS 79 HA LYS 79 -10.856 11.897 29.393 611 HB2 LYS 79 HB2 LYS 79 -12.496 9.613 29.080 612 HB3 LYS 79 HB3 LYS 79 -11.207 9.475 27.892 613 HG2 LYS 79 HG2 LYS 79 -10.630 8.377 29.993 614 HG3 LYS 79 HG3 LYS 79 -9.539 9.718 29.637 615 HD2 LYS 79 HD2 LYS 79 -11.819 10.598 31.181 616 HD3 LYS 79 HD3 LYS 79 -10.961 9.289 31.996 617 HE2 LYS 79 HE2 LYS 79 -9.124 10.549 32.365 618 HE3 LYS 79 HE3 LYS 79 -9.262 11.389 30.822 619 HZ1 LYS 79 HZ1 LYS 79 -11.168 12.628 31.836 620 HZ2 LYS 79 HZ2 LYS 79 -9.654 12.973 32.507 621 HZ3 LYS 79 HZ3 LYS 79 -10.734 11.962 33.329 622 H VAL 80 H VAL 80 -12.602 11.046 26.404 623 HA VAL 80 HA VAL 80 -10.504 11.167 24.617 624 HB VAL 80 HB VAL 80 -13.369 12.012 24.167 625 HG11 VAL 80 HG11 VAL 80 -11.287 11.274 22.115 626 HG12 VAL 80 HG12 VAL 80 -12.959 11.748 21.806 627 HG13 VAL 80 HG13 VAL 80 -11.816 12.919 22.466 628 HG21 VAL 80 HG21 VAL 80 -13.626 9.808 24.627 629 HG22 VAL 80 HG22 VAL 80 -13.137 9.642 22.941 630 HG23 VAL 80 HG23 VAL 80 -11.953 9.416 24.228 631 H VAL 81 H VAL 81 -12.270 13.783 26.120 632 HA VAL 81 HA VAL 81 -11.696 15.925 24.498 633 HB VAL 81 HB VAL 81 -11.959 17.356 26.379 634 HG11 VAL 81 HG11 VAL 81 -14.019 16.630 27.259 635 HG12 VAL 81 HG12 VAL 81 -13.906 15.890 25.660 636 HG13 VAL 81 HG13 VAL 81 -13.578 14.930 27.103 637 HG21 VAL 81 HG21 VAL 81 -11.118 14.966 27.993 638 HG22 VAL 81 HG22 VAL 81 -10.387 16.570 27.939 639 HG23 VAL 81 HG23 VAL 81 -11.952 16.341 28.719 640 H GLU 82 H GLU 82 -9.610 14.431 26.939 641 HA GLU 82 HA GLU 82 -7.517 16.230 26.968 642 HB2 GLU 82 HB2 GLU 82 -7.807 13.338 27.511 643 HB3 GLU 82 HB3 GLU 82 -6.169 13.893 27.193 644 HG2 GLU 82 HG2 GLU 82 -7.152 15.763 28.966 645 HG3 GLU 82 HG3 GLU 82 -7.830 14.241 29.542 646 H ASP 83 H ASP 83 -7.890 13.403 24.833 647 HA ASP 83 HA ASP 83 -5.564 13.915 23.310 648 HB2 ASP 83 HB2 ASP 83 -6.087 11.991 22.253 649 HB3 ASP 83 HB3 ASP 83 -7.333 11.838 23.489 650 H TRP 84 H TRP 84 -8.931 14.880 22.950 651 HA TRP 84 HA TRP 84 -8.943 15.848 20.371 652 HB2 TRP 84 HB2 TRP 84 -10.679 15.931 22.519 653 HB3 TRP 84 HB3 TRP 84 -10.323 17.632 22.232 654 HD1 TRP 84 HD1 TRP 84 -12.915 15.410 21.398 655 HE1 TRP 84 HE1 TRP 84 -14.002 15.916 19.120 656 HE3 TRP 84 HE3 TRP 84 -9.271 18.392 19.405 657 HZ2 TRP 84 HZ2 TRP 84 -13.395 17.385 16.787 658 HZ3 TRP 84 HZ3 TRP 84 -9.602 19.307 17.145 659 HH2 TRP 84 HH2 TRP 84 -11.621 18.812 15.865 660 H LEU 85 H LEU 85 -8.529 17.963 23.215 661 HA LEU 85 HA LEU 85 -7.569 20.163 21.791 662 HB2 LEU 85 HB2 LEU 85 -6.997 19.395 24.650 663 HB3 LEU 85 HB3 LEU 85 -6.764 20.995 23.949 664 HG LEU 85 HG LEU 85 -8.772 21.430 24.842 665 HD11 LEU 85 HD11 LEU 85 -10.567 21.180 23.357 666 HD12 LEU 85 HD12 LEU 85 -9.939 19.663 22.715 667 HD13 LEU 85 HD13 LEU 85 -9.131 21.183 22.333 668 HD21 LEU 85 HD21 LEU 85 -9.888 19.938 26.080 669 HD22 LEU 85 HD22 LEU 85 -8.581 18.828 25.667 670 HD23 LEU 85 HD23 LEU 85 -10.076 18.818 24.731 671 H SER 86 H SER 86 -5.780 17.624 23.520 672 HA SER 86 HA SER 86 -3.205 18.515 23.215 673 HB2 SER 86 HB2 SER 86 -4.378 15.747 23.221 674 HB3 SER 86 HB3 SER 86 -2.643 15.984 23.006 675 HG SER 86 HG SER 86 -4.124 16.126 25.263 676 H LEU 87 H LEU 87 -4.881 16.329 20.945 677 HA LEU 87 HA LEU 87 -2.924 16.284 18.975 678 HB2 LEU 87 HB2 LEU 87 -4.551 14.706 18.648 679 HB3 LEU 87 HB3 LEU 87 -5.861 15.825 19.021 680 HG LEU 87 HG LEU 87 -5.400 16.913 16.785 681 HD11 LEU 87 HD11 LEU 87 -3.290 16.241 16.133 682 HD12 LEU 87 HD12 LEU 87 -4.327 15.186 15.173 683 HD13 LEU 87 HD13 LEU 87 -3.552 14.570 16.633 684 HD21 LEU 87 HD21 LEU 87 -7.331 15.658 16.807 685 HD22 LEU 87 HD22 LEU 87 -6.480 14.155 17.164 686 HD23 LEU 87 HD23 LEU 87 -6.404 14.849 15.544 687 H VAL 88 H VAL 88 -5.951 18.165 18.780 688 HA VAL 88 HA VAL 88 -5.293 19.746 16.624 689 HB VAL 88 HB VAL 88 -7.528 19.642 17.778 690 HG11 VAL 88 HG11 VAL 88 -7.948 21.272 19.571 691 HG12 VAL 88 HG12 VAL 88 -6.791 20.031 20.058 692 HG13 VAL 88 HG13 VAL 88 -6.224 21.643 19.620 693 HG21 VAL 88 HG21 VAL 88 -6.479 22.414 17.217 694 HG22 VAL 88 HG22 VAL 88 -6.997 21.258 15.990 695 HG23 VAL 88 HG23 VAL 88 -8.163 21.893 17.151 696 H LYS 89 H LYS 89 -4.095 19.912 19.856 697 HA LYS 89 HA LYS 89 -3.054 22.606 19.550 698 HB2 LYS 89 HB2 LYS 89 -3.061 20.582 21.765 699 HB3 LYS 89 HB3 LYS 89 -1.965 21.956 21.828 700 HG2 LYS 89 HG2 LYS 89 -3.821 23.494 21.754 701 HG3 LYS 89 HG3 LYS 89 -4.957 22.159 21.550 702 HD2 LYS 89 HD2 LYS 89 -5.029 22.807 23.842 703 HD3 LYS 89 HD3 LYS 89 -4.162 21.271 23.759 704 HE2 LYS 89 HE2 LYS 89 -2.642 22.327 25.033 705 HE3 LYS 89 HE3 LYS 89 -2.118 23.034 23.506 706 HZ1 LYS 89 HZ1 LYS 89 -2.633 24.552 25.522 707 HZ2 LYS 89 HZ2 LYS 89 -4.245 24.347 25.055 708 HZ3 LYS 89 HZ3 LYS 89 -3.132 25.024 23.976 709 H ALA 90 H ALA 90 -2.020 19.349 19.101 710 HA ALA 90 HA ALA 90 0.806 20.049 19.101 711 HB1 ALA 90 HB1 ALA 90 -0.502 17.408 18.466 712 HB2 ALA 90 HB2 ALA 90 1.215 17.695 18.750 713 HB3 ALA 90 HB3 ALA 90 0.056 17.904 20.063 714 H LYS 91 H LYS 91 -1.429 18.493 16.790 715 HA LYS 91 HA LYS 91 0.101 18.466 14.544 716 HB2 LYS 91 HB2 LYS 91 -2.126 18.972 13.307 717 HB3 LYS 91 HB3 LYS 91 -2.002 17.515 14.285 718 HG2 LYS 91 HG2 LYS 91 -3.837 18.155 15.342 719 HG3 LYS 91 HG3 LYS 91 -2.913 19.492 16.030 720 HD2 LYS 91 HD2 LYS 91 -3.915 19.880 13.279 721 HD3 LYS 91 HD3 LYS 91 -5.137 19.823 14.551 722 HE2 LYS 91 HE2 LYS 91 -3.230 21.450 15.647 723 HE3 LYS 91 HE3 LYS 91 -3.146 21.878 13.939 724 HZ1 LYS 91 HZ1 LYS 91 -5.830 21.739 14.552 725 HZ2 LYS 91 HZ2 LYS 91 -4.920 23.138 14.278 726 HZ3 LYS 91 HZ3 LYS 91 -5.123 22.557 15.853 727 H PHE 92 H PHE 92 -1.461 21.250 15.993 728 HA PHE 92 HA PHE 92 -0.706 22.981 13.785 729 HB2 PHE 92 HB2 PHE 92 -2.723 23.737 14.572 730 HB3 PHE 92 HB3 PHE 92 -2.382 23.248 16.228 731 HD1 PHE 92 HD1 PHE 92 -1.145 25.685 13.688 732 HD2 PHE 92 HD2 PHE 92 -2.036 24.903 17.776 733 HE1 PHE 92 HE1 PHE 92 -0.581 28.013 14.252 734 HE2 PHE 92 HE2 PHE 92 -1.475 27.229 18.347 735 HZ PHE 92 HZ PHE 92 -0.747 28.788 16.584 736 H CYS 93 H CYS 93 0.283 22.265 17.072 737 HA CYS 93 HA CYS 93 2.150 24.450 17.216 738 HB2 CYS 93 HB2 CYS 93 1.075 23.580 19.245 739 HB3 CYS 93 HB3 CYS 93 1.836 22.015 18.984 740 HG CYS 93 HG CYS 93 3.017 24.681 20.520 741 H GLU 94 H GLU 94 2.155 21.412 15.765 742 HA GLU 94 HA GLU 94 5.076 21.167 15.898 743 HB2 GLU 94 HB2 GLU 94 4.763 18.920 14.990 744 HB3 GLU 94 HB3 GLU 94 3.792 19.151 16.438 745 HG2 GLU 94 HG2 GLU 94 2.054 18.409 15.293 746 HG3 GLU 94 HG3 GLU 94 2.123 19.891 14.342 747 H ALA 95 H ALA 95 2.413 21.696 13.687 748 HA ALA 95 HA ALA 95 4.366 22.151 11.525 749 HB1 ALA 95 HB1 ALA 95 1.521 21.183 11.263 750 HB2 ALA 95 HB2 ALA 95 2.621 21.523 9.927 751 HB3 ALA 95 HB3 ALA 95 2.976 20.209 11.048 752 HA PRO 96 HA PRO 96 2.957 26.300 11.234 753 HB2 PRO 96 HB2 PRO 96 3.277 26.768 8.579 754 HB3 PRO 96 HB3 PRO 96 4.636 26.631 9.702 755 HG2 PRO 96 HG2 PRO 96 3.512 24.583 7.830 756 HG3 PRO 96 HG3 PRO 96 5.207 24.977 8.171 757 HD2 PRO 96 HD2 PRO 96 3.957 22.843 9.273 758 HD3 PRO 96 HD3 PRO 96 5.234 23.743 10.117 759 H GLY 97 H GLY 97 0.727 25.819 11.770 760 HA2 GLY 97 HA2 GLY 97 -1.538 25.766 11.370 761 HA3 GLY 97 HA3 GLY 97 -1.149 26.857 10.049 762 H SER 98 H SER 98 0.174 23.658 10.043 763 HA SER 98 HA SER 98 -0.829 23.028 7.510 764 HB2 SER 98 HB2 SER 98 0.327 21.323 9.712 765 HB3 SER 98 HB3 SER 98 -0.173 20.638 8.166 766 HG SER 98 HG SER 98 1.259 22.286 7.217 767 H CYS 99 H CYS 99 -1.894 20.547 7.509 768 HA CYS 99 HA CYS 99 -4.523 20.988 8.750 769 HB2 CYS 99 HB2 CYS 99 -3.742 19.349 6.330 770 HB3 CYS 99 HB3 CYS 99 -5.367 19.421 7.001 771 HG CYS 99 HG CYS 99 -5.768 21.095 5.007 772 H VAL 100 H VAL 100 -5.712 19.059 9.454 773 HA VAL 100 HA VAL 100 -3.893 16.992 10.510 774 HB VAL 100 HB VAL 100 -6.293 17.075 12.040 775 HG11 VAL 100 HG11 VAL 100 -4.191 16.223 12.856 776 HG12 VAL 100 HG12 VAL 100 -3.439 17.810 12.680 777 HG13 VAL 100 HG13 VAL 100 -4.710 17.562 13.878 778 HG21 VAL 100 HG21 VAL 100 -6.608 19.358 11.322 779 HG22 VAL 100 HG22 VAL 100 -6.090 19.344 13.008 780 HG23 VAL 100 HG23 VAL 100 -4.940 19.753 11.735 781 H ALA 101 H ALA 101 -4.186 15.166 9.415 782 HA ALA 101 HA ALA 101 -6.688 14.545 8.126 783 HB1 ALA 101 HB1 ALA 101 -4.148 13.963 7.492 784 HB2 ALA 101 HB2 ALA 101 -4.599 12.468 8.313 785 HB3 ALA 101 HB3 ALA 101 -5.529 13.025 6.922 786 H VAL 102 H VAL 102 -8.332 13.532 9.054 787 HA VAL 102 HA VAL 102 -7.784 11.603 11.207 788 HB VAL 102 HB VAL 102 -9.664 12.369 12.493 789 HG11 VAL 102 HG11 VAL 102 -8.786 14.365 13.339 790 HG12 VAL 102 HG12 VAL 102 -7.398 13.561 12.604 791 HG13 VAL 102 HG13 VAL 102 -8.201 14.884 11.758 792 HG21 VAL 102 HG21 VAL 102 -10.111 14.337 10.253 793 HG22 VAL 102 HG22 VAL 102 -11.179 13.022 10.746 794 HG23 VAL 102 HG23 VAL 102 -10.928 14.402 11.815 795 H HIS 103 H HIS 103 -9.227 9.870 11.372 796 HA HIS 103 HA HIS 103 -10.614 9.249 8.896 797 HB2 HIS 103 HB2 HIS 103 -9.215 7.509 9.805 798 HB3 HIS 103 HB3 HIS 103 -10.030 7.604 11.364 799 HD1 HIS 103 HD1 HIS 103 -12.733 6.992 11.167 800 HD2 HIS 103 HD2 HIS 103 -10.180 5.541 8.228 801 HE1 HIS 103 HE1 HIS 103 -13.970 5.092 10.080 802 H CYS 104 H CYS 104 -12.782 9.020 8.649 803 HA CYS 104 HA CYS 104 -14.542 9.070 10.954 804 HB2 CYS 104 HB2 CYS 104 -14.005 11.432 9.349 805 HB3 CYS 104 HB3 CYS 104 -15.710 10.999 9.313 806 HG CYS 104 HG CYS 104 -15.703 12.799 11.293 807 H VAL 105 H VAL 105 -16.636 8.343 10.511 808 HA VAL 105 HA VAL 105 -16.843 6.696 8.152 809 HB VAL 105 HB VAL 105 -19.236 6.342 9.249 810 HG11 VAL 105 HG11 VAL 105 -17.716 4.845 10.980 811 HG12 VAL 105 HG12 VAL 105 -18.159 4.384 9.335 812 HG13 VAL 105 HG13 VAL 105 -16.604 5.155 9.647 813 HG21 VAL 105 HG21 VAL 105 -17.701 6.945 11.733 814 HG22 VAL 105 HG22 VAL 105 -18.540 8.254 10.901 815 HG23 VAL 105 HG23 VAL 105 -19.444 6.855 11.481 816 H ALA 106 H ALA 106 -19.721 8.196 9.363 817 HA ALA 106 HA ALA 106 -20.074 9.536 6.766 818 HB1 ALA 106 HB1 ALA 106 -22.157 8.750 6.682 819 HB2 ALA 106 HB2 ALA 106 -21.699 7.687 8.013 820 HB3 ALA 106 HB3 ALA 106 -22.489 9.228 8.347 821 H GLY 107 H GLY 107 -20.200 9.946 10.240 822 HA2 GLY 107 HA2 GLY 107 -19.515 12.288 10.882 823 HA3 GLY 107 HA3 GLY 107 -20.828 12.804 9.835 824 H LEU 108 H LEU 108 -22.858 12.918 10.634 825 HA LEU 108 HA LEU 108 -24.301 13.332 12.401 826 HB2 LEU 108 HB2 LEU 108 -23.867 10.353 12.399 827 HB3 LEU 108 HB3 LEU 108 -25.164 11.151 13.285 828 HG LEU 108 HG LEU 108 -24.815 11.225 10.288 829 HD11 LEU 108 HD11 LEU 108 -25.378 8.980 11.188 830 HD12 LEU 108 HD12 LEU 108 -26.639 9.674 10.168 831 HD13 LEU 108 HD13 LEU 108 -26.821 9.681 11.922 832 HD21 LEU 108 HD21 LEU 108 -26.208 12.953 10.404 833 HD22 LEU 108 HD22 LEU 108 -26.435 12.739 12.140 834 HD23 LEU 108 HD23 LEU 108 -27.434 11.834 11.001 835 H GLY 109 H GLY 109 -24.731 11.889 14.766 836 HA2 GLY 109 HA2 GLY 109 -23.922 12.839 16.893 837 HA3 GLY 109 HA3 GLY 109 -23.349 11.189 16.702 838 H ARG 110 H ARG 110 -21.185 10.798 16.285 839 HA ARG 110 HA ARG 110 -19.244 12.195 17.461 840 HB2 ARG 110 HB2 ARG 110 -17.679 11.348 15.584 841 HB3 ARG 110 HB3 ARG 110 -18.564 10.165 16.539 842 HG2 ARG 110 HG2 ARG 110 -20.303 10.193 14.692 843 HG3 ARG 110 HG3 ARG 110 -19.112 11.077 13.734 844 HD2 ARG 110 HD2 ARG 110 -19.103 8.624 13.335 845 HD3 ARG 110 HD3 ARG 110 -17.555 9.262 13.885 846 HE ARG 110 HE ARG 110 -17.735 7.965 15.756 847 HH11 ARG 110 HH11 ARG 110 -20.875 8.254 14.279 848 HH12 ARG 110 HH12 ARG 110 -21.625 7.112 15.344 849 HH21 ARG 110 HH21 ARG 110 -18.711 6.460 17.164 850 HH22 ARG 110 HH22 ARG 110 -20.394 6.093 16.985 851 H ALA 111 H ALA 111 -20.090 12.693 14.032 852 HA ALA 111 HA ALA 111 -18.446 14.605 13.189 853 HB1 ALA 111 HB1 ALA 111 -20.738 15.750 12.329 854 HB2 ALA 111 HB2 ALA 111 -20.013 14.316 11.599 855 HB3 ALA 111 HB3 ALA 111 -21.321 14.145 12.770 856 HA PRO 112 HA PRO 112 -20.543 18.363 15.267 857 HB2 PRO 112 HB2 PRO 112 -22.862 17.989 16.629 858 HB3 PRO 112 HB3 PRO 112 -22.808 18.301 14.890 859 HG2 PRO 112 HG2 PRO 112 -23.111 15.699 16.339 860 HG3 PRO 112 HG3 PRO 112 -23.972 16.288 14.905 861 HD2 PRO 112 HD2 PRO 112 -21.914 14.535 14.751 862 HD3 PRO 112 HD3 PRO 112 -22.243 15.735 13.485 863 H VAL 113 H VAL 113 -20.908 15.347 17.061 864 HA VAL 113 HA VAL 113 -20.705 16.350 19.662 865 HB VAL 113 HB VAL 113 -19.992 13.691 18.459 866 HG11 VAL 113 HG11 VAL 113 -19.589 14.597 21.300 867 HG12 VAL 113 HG12 VAL 113 -19.746 12.898 20.848 868 HG13 VAL 113 HG13 VAL 113 -18.412 13.862 20.211 869 HG21 VAL 113 HG21 VAL 113 -21.857 13.164 20.277 870 HG22 VAL 113 HG22 VAL 113 -22.252 14.858 19.988 871 HG23 VAL 113 HG23 VAL 113 -22.261 13.709 18.650 872 H LEU 114 H LEU 114 -18.112 14.873 17.700 873 HA LEU 114 HA LEU 114 -16.019 15.535 19.441 874 HB2 LEU 114 HB2 LEU 114 -16.149 14.874 16.522 875 HB3 LEU 114 HB3 LEU 114 -14.621 15.326 17.277 876 HG LEU 114 HG LEU 114 -14.712 12.949 17.173 877 HD11 LEU 114 HD11 LEU 114 -13.841 13.984 19.257 878 HD12 LEU 114 HD12 LEU 114 -14.465 12.350 19.480 879 HD13 LEU 114 HD13 LEU 114 -15.425 13.737 19.992 880 HD21 LEU 114 HD21 LEU 114 -16.518 11.639 18.131 881 HD22 LEU 114 HD22 LEU 114 -17.140 12.726 16.889 882 HD23 LEU 114 HD23 LEU 114 -17.367 13.114 18.595 883 H VAL 115 H VAL 115 -16.879 17.098 16.348 884 HA VAL 115 HA VAL 115 -15.135 19.222 16.435 885 HB VAL 115 HB VAL 115 -16.628 20.422 14.962 886 HG11 VAL 115 HG11 VAL 115 -17.357 18.127 13.617 887 HG12 VAL 115 HG12 VAL 115 -15.808 18.962 13.486 888 HG13 VAL 115 HG13 VAL 115 -15.990 17.609 14.603 889 HG21 VAL 115 HG21 VAL 115 -18.697 18.511 16.005 890 HG22 VAL 115 HG22 VAL 115 -18.735 20.274 15.992 891 HG23 VAL 115 HG23 VAL 115 -18.906 19.377 14.483 892 H ALA 116 H ALA 116 -18.215 18.852 18.092 893 HA ALA 116 HA ALA 116 -18.530 21.504 18.968 894 HB1 ALA 116 HB1 ALA 116 -20.423 20.154 19.155 895 HB2 ALA 116 HB2 ALA 116 -19.543 18.872 19.989 896 HB3 ALA 116 HB3 ALA 116 -19.902 20.383 20.825 897 H LEU 117 H LEU 117 -16.964 18.710 20.503 898 HA LEU 117 HA LEU 117 -16.315 19.869 22.942 899 HB2 LEU 117 HB2 LEU 117 -16.046 17.455 22.193 900 HB3 LEU 117 HB3 LEU 117 -14.522 17.959 21.467 901 HG LEU 117 HG LEU 117 -14.336 16.853 23.711 902 HD11 LEU 117 HD11 LEU 117 -12.670 18.473 22.670 903 HD12 LEU 117 HD12 LEU 117 -12.564 18.218 24.412 904 HD13 LEU 117 HD13 LEU 117 -13.323 19.679 23.780 905 HD21 LEU 117 HD21 LEU 117 -16.417 18.145 24.545 906 HD22 LEU 117 HD22 LEU 117 -15.273 19.444 24.883 907 HD23 LEU 117 HD23 LEU 117 -15.077 17.871 25.657 908 H ALA 118 H ALA 118 -14.355 19.739 19.972 909 HA ALA 118 HA ALA 118 -12.236 21.313 21.018 910 HB1 ALA 118 HB1 ALA 118 -12.784 21.154 18.088 911 HB2 ALA 118 HB2 ALA 118 -11.244 21.116 18.949 912 HB3 ALA 118 HB3 ALA 118 -12.299 19.703 18.966 913 H LEU 119 H LEU 119 -15.149 22.052 19.181 914 HA LEU 119 HA LEU 119 -14.582 24.685 18.463 915 HB2 LEU 119 HB2 LEU 119 -16.465 23.678 17.489 916 HB3 LEU 119 HB3 LEU 119 -17.145 23.243 19.055 917 HG LEU 119 HG LEU 119 -17.780 25.513 19.482 918 HD11 LEU 119 HD11 LEU 119 -17.378 27.276 17.770 919 HD12 LEU 119 HD12 LEU 119 -16.292 26.159 16.944 920 HD13 LEU 119 HD13 LEU 119 -15.917 26.708 18.578 921 HD21 LEU 119 HD21 LEU 119 -19.250 24.127 18.044 922 HD22 LEU 119 HD22 LEU 119 -18.490 24.851 16.627 923 HD23 LEU 119 HD23 LEU 119 -19.408 25.858 17.747 924 H ILE 120 H ILE 120 -16.284 23.477 21.349 925 HA ILE 120 HA ILE 120 -16.692 25.968 22.564 926 HB ILE 120 HB ILE 120 -16.695 23.153 23.503 927 HG12 ILE 120 HG12 ILE 120 -18.923 23.815 24.320 928 HG13 ILE 120 HG13 ILE 120 -18.600 25.481 23.852 929 HG21 ILE 120 HG21 ILE 120 -15.432 24.035 25.289 930 HG22 ILE 120 HG22 ILE 120 -16.382 25.519 25.329 931 HG23 ILE 120 HG23 ILE 120 -17.100 23.998 25.858 932 HD11 ILE 120 HD11 ILE 120 -18.635 23.183 21.916 933 HD12 ILE 120 HD12 ILE 120 -20.032 24.201 22.269 934 HD13 ILE 120 HD13 ILE 120 -18.587 24.907 21.545 935 H GLU 121 H GLU 121 -14.091 23.587 23.055 936 HA GLU 121 HA GLU 121 -12.660 25.066 24.966 937 HB2 GLU 121 HB2 GLU 121 -11.618 23.048 22.970 938 HB3 GLU 121 HB3 GLU 121 -10.761 23.605 24.401 939 HG2 GLU 121 HG2 GLU 121 -13.434 22.551 24.943 940 HG3 GLU 121 HG3 GLU 121 -12.312 21.374 24.262 941 H SER 122 H SER 122 -12.951 25.420 21.560 942 HA SER 122 HA SER 122 -10.496 26.778 21.080 943 HB2 SER 122 HB2 SER 122 -11.151 26.552 18.950 944 HB3 SER 122 HB3 SER 122 -12.662 25.848 19.526 945 HG SER 122 HG SER 122 -13.407 27.552 18.479 946 H GLY 123 H GLY 123 -13.532 27.713 22.413 947 HA2 GLY 123 HA2 GLY 123 -13.267 29.848 23.739 948 HA3 GLY 123 HA3 GLY 123 -12.756 30.556 22.214 949 H MET 124 H MET 124 -15.195 28.213 21.888 950 HA MET 124 HA MET 124 -17.152 30.333 21.374 951 HB2 MET 124 HB2 MET 124 -16.424 28.084 19.915 952 HB3 MET 124 HB3 MET 124 -17.966 27.638 20.633 953 HG2 MET 124 HG2 MET 124 -18.620 28.581 18.647 954 HG3 MET 124 HG3 MET 124 -18.754 29.943 19.756 955 HE1 MET 124 HE1 MET 124 -16.971 32.587 18.476 956 HE2 MET 124 HE2 MET 124 -17.640 31.777 19.893 957 HE3 MET 124 HE3 MET 124 -15.894 31.821 19.645 958 H LYS 125 H LYS 125 -19.315 30.148 22.124 959 HA LYS 125 HA LYS 125 -19.507 29.152 24.799 960 HB2 LYS 125 HB2 LYS 125 -22.077 29.833 23.744 961 HB3 LYS 125 HB3 LYS 125 -21.109 30.700 24.929 962 HG2 LYS 125 HG2 LYS 125 -19.882 31.759 23.023 963 HG3 LYS 125 HG3 LYS 125 -21.065 31.023 21.939 964 HD2 LYS 125 HD2 LYS 125 -22.368 32.796 22.275 965 HD3 LYS 125 HD3 LYS 125 -22.563 32.268 23.948 966 HE2 LYS 125 HE2 LYS 125 -20.194 33.896 23.096 967 HE3 LYS 125 HE3 LYS 125 -21.729 34.663 23.501 968 HZ1 LYS 125 HZ1 LYS 125 -21.225 34.492 25.634 969 HZ2 LYS 125 HZ2 LYS 125 -19.733 33.796 25.243 970 HZ3 LYS 125 HZ3 LYS 125 -21.083 32.811 25.508 971 H TYR 126 H TYR 126 -20.496 27.359 25.560 972 HA TYR 126 HA TYR 126 -20.792 25.099 24.003 973 HB2 TYR 126 HB2 TYR 126 -20.760 24.411 26.154 974 HB3 TYR 126 HB3 TYR 126 -21.519 25.888 26.737 975 HD1 TYR 126 HD2 TYR 126 -22.356 22.755 24.886 976 HD2 TYR 126 HD1 TYR 126 -23.678 25.781 27.569 977 HE1 TYR 126 HE2 TYR 126 -24.464 21.531 25.218 978 HE2 TYR 126 HE1 TYR 126 -25.789 24.566 27.909 979 HH TYR 126 HH TYR 126 -27.160 22.800 26.404 980 H GLU 127 H GLU 127 -23.405 27.175 25.260 981 HA GLU 127 HA GLU 127 -25.529 25.874 24.014 982 HB2 GLU 127 HB2 GLU 127 -25.311 28.832 24.599 983 HB3 GLU 127 HB3 GLU 127 -26.798 27.924 24.361 984 HG2 GLU 127 HG2 GLU 127 -25.716 26.515 26.375 985 HG3 GLU 127 HG3 GLU 127 -25.046 28.109 26.718 986 H ASP 128 H ASP 128 -23.866 28.835 22.920 987 HA ASP 128 HA ASP 128 -25.133 29.173 20.501 988 HB2 ASP 128 HB2 ASP 128 -23.250 30.563 21.704 989 HB3 ASP 128 HB3 ASP 128 -22.179 29.634 20.658 990 H ALA 129 H ALA 129 -22.076 27.408 21.024 991 HA ALA 129 HA ALA 129 -21.697 26.474 18.450 992 HB1 ALA 129 HB1 ALA 129 -20.846 25.565 21.140 993 HB2 ALA 129 HB2 ALA 129 -20.648 24.437 19.798 994 HB3 ALA 129 HB3 ALA 129 -19.879 26.022 19.737 995 H ILE 130 H ILE 130 -23.440 24.872 21.110 996 HA ILE 130 HA ILE 130 -24.174 22.548 19.788 997 HB ILE 130 HB ILE 130 -25.650 24.090 21.919 998 HG12 ILE 130 HG12 ILE 130 -24.003 23.256 23.198 999 HG13 ILE 130 HG13 ILE 130 -24.725 21.672 22.932 1000 HG21 ILE 130 HG21 ILE 130 -26.216 21.354 20.793 1001 HG22 ILE 130 HG22 ILE 130 -26.883 21.958 22.308 1002 HG23 ILE 130 HG23 ILE 130 -27.284 22.757 20.789 1003 HD11 ILE 130 HD11 ILE 130 -22.484 22.930 21.374 1004 HD12 ILE 130 HD12 ILE 130 -22.393 21.541 22.457 1005 HD13 ILE 130 HD13 ILE 130 -23.275 21.417 20.935 1006 H GLN 131 H GLN 131 -26.123 25.516 20.143 1007 HA GLN 131 HA GLN 131 -28.298 24.803 18.621 1008 HB2 GLN 131 HB2 GLN 131 -26.955 27.443 19.102 1009 HB3 GLN 131 HB3 GLN 131 -28.345 27.337 18.030 1010 HG2 GLN 131 HG2 GLN 131 -28.432 27.729 20.735 1011 HG3 GLN 131 HG3 GLN 131 -29.773 27.191 19.724 1012 HE21 GLN 131 HE21 GLN 131 -27.456 26.309 22.112 1013 HE22 GLN 131 HE22 GLN 131 -28.050 24.715 22.413 1014 H PHE 132 H PHE 132 -25.132 25.862 17.546 1015 HA PHE 132 HA PHE 132 -25.809 26.281 14.828 1016 HB2 PHE 132 HB2 PHE 132 -23.729 27.107 16.029 1017 HB3 PHE 132 HB3 PHE 132 -23.093 25.473 15.869 1018 HD1 PHE 132 HD1 PHE 132 -25.061 27.480 13.439 1019 HD2 PHE 132 HD2 PHE 132 -21.325 25.672 14.383 1020 HE1 PHE 132 HE1 PHE 132 -24.231 28.028 11.189 1021 HE2 PHE 132 HE2 PHE 132 -20.489 26.218 12.135 1022 HZ PHE 132 HZ PHE 132 -21.942 27.399 10.534 1023 H ILE 133 H ILE 133 -23.808 23.657 16.181 1024 HA ILE 133 HA ILE 133 -24.021 21.997 13.928 1025 HB ILE 133 HB ILE 133 -23.280 20.162 15.475 1026 HG12 ILE 133 HG12 ILE 133 -22.881 22.241 17.587 1027 HG13 ILE 133 HG13 ILE 133 -24.452 21.457 17.457 1028 HG21 ILE 133 HG21 ILE 133 -21.340 22.176 16.171 1029 HG22 ILE 133 HG22 ILE 133 -21.215 20.844 15.022 1030 HG23 ILE 133 HG23 ILE 133 -21.902 22.386 14.513 1031 HD11 ILE 133 HD11 ILE 133 -21.885 19.922 17.703 1032 HD12 ILE 133 HD12 ILE 133 -22.836 20.445 19.093 1033 HD13 ILE 133 HD13 ILE 133 -23.534 19.335 17.915 1034 H ARG 134 H ARG 134 -26.249 22.668 16.420 1035 HA ARG 134 HA ARG 134 -27.702 20.176 16.173 1036 HB2 ARG 134 HB2 ARG 134 -27.573 21.400 18.329 1037 HB3 ARG 134 HB3 ARG 134 -28.476 22.723 17.605 1038 HG2 ARG 134 HG2 ARG 134 -30.405 21.720 18.024 1039 HG3 ARG 134 HG3 ARG 134 -29.869 20.236 17.234 1040 HD2 ARG 134 HD2 ARG 134 -30.224 19.484 19.373 1041 HD3 ARG 134 HD3 ARG 134 -28.514 19.907 19.449 1042 HE ARG 134 HE ARG 134 -29.044 21.472 21.014 1043 HH11 ARG 134 HH11 ARG 134 -31.898 20.776 19.146 1044 HH12 ARG 134 HH12 ARG 134 -32.930 21.787 20.103 1045 HH21 ARG 134 HH21 ARG 134 -30.392 22.806 22.282 1046 HH22 ARG 134 HH22 ARG 134 -32.072 22.942 21.886 1047 H GLN 135 H GLN 135 -28.151 23.570 15.251 1048 HA GLN 135 HA GLN 135 -30.697 23.262 14.087 1049 HB2 GLN 135 HB2 GLN 135 -30.346 25.424 13.106 1050 HB3 GLN 135 HB3 GLN 135 -29.653 25.439 14.722 1051 HG2 GLN 135 HG2 GLN 135 -27.494 25.528 13.946 1052 HG3 GLN 135 HG3 GLN 135 -27.907 24.798 12.396 1053 HE21 GLN 135 HE21 GLN 135 -29.776 26.271 11.327 1054 HE22 GLN 135 HE22 GLN 135 -29.298 27.921 11.151 1055 H LYS 136 H LYS 136 -27.493 22.592 12.930 1056 HA LYS 136 HA LYS 136 -28.376 22.303 10.173 1057 HB2 LYS 136 HB2 LYS 136 -26.016 21.737 9.719 1058 HB3 LYS 136 HB3 LYS 136 -26.185 23.278 10.550 1059 HG2 LYS 136 HG2 LYS 136 -25.016 22.581 12.317 1060 HG3 LYS 136 HG3 LYS 136 -25.840 21.021 12.363 1061 HD2 LYS 136 HD2 LYS 136 -23.609 20.487 11.891 1062 HD3 LYS 136 HD3 LYS 136 -24.415 20.419 10.322 1063 HE2 LYS 136 HE2 LYS 136 -23.216 22.128 9.507 1064 HE3 LYS 136 HE3 LYS 136 -23.374 23.065 10.993 1065 HZ1 LYS 136 HZ1 LYS 136 -21.086 22.547 10.664 1066 HZ2 LYS 136 HZ2 LYS 136 -21.416 20.903 10.446 1067 HZ3 LYS 136 HZ3 LYS 136 -21.635 21.614 11.965 1068 H ARG 137 H ARG 137 -28.865 20.498 12.761 1069 HA ARG 137 HA ARG 137 -29.424 18.134 11.362 1070 HB2 ARG 137 HB2 ARG 137 -26.692 18.383 12.190 1071 HB3 ARG 137 HB3 ARG 137 -27.455 17.096 13.116 1072 HG2 ARG 137 HG2 ARG 137 -27.457 15.719 11.373 1073 HG3 ARG 137 HG3 ARG 137 -28.128 16.951 10.303 1074 HD2 ARG 137 HD2 ARG 137 -25.845 17.940 10.130 1075 HD3 ARG 137 HD3 ARG 137 -25.234 16.566 11.051 1076 HE ARG 137 HE ARG 137 -25.369 15.293 9.158 1077 HH11 ARG 137 HH11 ARG 137 -27.299 18.158 8.732 1078 HH12 ARG 137 HH12 ARG 137 -27.628 17.846 7.059 1079 HH21 ARG 137 HH21 ARG 137 -25.794 14.871 6.957 1080 HH22 ARG 137 HH22 ARG 137 -26.772 15.975 6.051 1081 H ARG 138 H ARG 138 -31.264 17.797 12.440 1082 HA ARG 138 HA ARG 138 -31.900 18.476 15.023 1083 HB2 ARG 138 HB2 ARG 138 -32.960 16.571 13.039 1084 HB3 ARG 138 HB3 ARG 138 -33.388 16.217 14.708 1085 HG2 ARG 138 HG2 ARG 138 -35.090 17.571 13.613 1086 HG3 ARG 138 HG3 ARG 138 -34.340 18.442 14.953 1087 HD2 ARG 138 HD2 ARG 138 -33.108 19.822 13.511 1088 HD3 ARG 138 HD3 ARG 138 -33.372 18.758 12.130 1089 HE ARG 138 HE ARG 138 -35.139 20.810 13.107 1090 HH11 ARG 138 HH11 ARG 138 -34.889 17.869 11.260 1091 HH12 ARG 138 HH12 ARG 138 -36.320 18.175 10.334 1092 HH21 ARG 138 HH21 ARG 138 -37.026 21.224 11.893 1093 HH22 ARG 138 HH22 ARG 138 -37.535 20.084 10.694 1094 H GLY 139 H GLY 139 -31.381 17.763 16.994 1095 HA2 GLY 139 HA2 GLY 139 -30.271 16.572 18.620 1096 HA3 GLY 139 HA3 GLY 139 -31.012 15.177 17.848 1097 H ALA 140 H ALA 140 -28.343 17.432 17.120 1098 HA ALA 140 HA ALA 140 -26.809 15.289 15.930 1099 HB1 ALA 140 HB1 ALA 140 -26.777 18.172 15.869 1100 HB2 ALA 140 HB2 ALA 140 -25.161 17.524 16.151 1101 HB3 ALA 140 HB3 ALA 140 -26.080 17.015 14.735 1102 H ILE 141 H ILE 141 -26.060 17.674 18.480 1103 HA ILE 141 HA ILE 141 -24.155 15.775 19.629 1104 HB ILE 141 HB ILE 141 -23.300 18.014 19.276 1105 HG12 ILE 141 HG12 ILE 141 -23.749 17.757 22.244 1106 HG13 ILE 141 HG13 ILE 141 -22.723 16.629 21.365 1107 HG21 ILE 141 HG21 ILE 141 -25.815 18.782 20.633 1108 HG22 ILE 141 HG22 ILE 141 -24.390 19.765 20.966 1109 HG23 ILE 141 HG23 ILE 141 -24.955 19.565 19.308 1110 HD11 ILE 141 HD11 ILE 141 -22.186 19.506 20.971 1111 HD12 ILE 141 HD12 ILE 141 -21.788 18.816 22.545 1112 HD13 ILE 141 HD13 ILE 141 -21.072 18.143 21.081 1113 H ASN 142 H ASN 142 -27.294 17.026 20.141 1114 HA ASN 142 HA ASN 142 -27.792 17.173 22.762 1115 HB2 ASN 142 HB2 ASN 142 -29.320 16.477 20.480 1116 HB3 ASN 142 HB3 ASN 142 -29.723 15.314 21.740 1117 HD21 ASN 142 HD21 ASN 142 -31.757 16.073 22.120 1118 HD22 ASN 142 HD22 ASN 142 -32.079 17.615 22.831 1119 H SER 143 H SER 143 -28.345 15.733 24.472 1120 HA SER 143 HA SER 143 -28.517 13.507 25.362 1121 HB2 SER 143 HB2 SER 143 -27.835 12.561 23.109 1122 HB3 SER 143 HB3 SER 143 -26.161 12.819 23.598 1123 HG SER 143 HG SER 143 -27.412 10.692 24.050 1124 H LYS 144 H LYS 144 -26.120 12.122 26.049 1125 HA LYS 144 HA LYS 144 -25.297 13.394 28.318 1126 HB2 LYS 144 HB2 LYS 144 -23.532 11.636 26.605 1127 HB3 LYS 144 HB3 LYS 144 -23.355 11.931 28.330 1128 HG2 LYS 144 HG2 LYS 144 -24.532 10.073 28.631 1129 HG3 LYS 144 HG3 LYS 144 -25.939 11.000 28.104 1130 HD2 LYS 144 HD2 LYS 144 -25.036 10.334 25.710 1131 HD3 LYS 144 HD3 LYS 144 -24.300 9.009 26.616 1132 HE2 LYS 144 HE2 LYS 144 -26.964 9.250 27.518 1133 HE3 LYS 144 HE3 LYS 144 -27.010 9.324 25.757 1134 HZ1 LYS 144 HZ1 LYS 144 -25.459 7.234 27.149 1135 HZ2 LYS 144 HZ2 LYS 144 -26.055 7.233 25.566 1136 HZ3 LYS 144 HZ3 LYS 144 -27.117 7.044 26.870 1137 H GLN 145 H GLN 145 -24.227 13.976 25.057 1138 HA GLN 145 HA GLN 145 -21.839 15.351 25.591 1139 HB2 GLN 145 HB2 GLN 145 -23.644 16.095 23.312 1140 HB3 GLN 145 HB3 GLN 145 -21.887 16.046 23.358 1141 HG2 GLN 145 HG2 GLN 145 -23.821 13.773 23.131 1142 HG3 GLN 145 HG3 GLN 145 -22.503 14.219 22.049 1143 HE21 GLN 145 HE21 GLN 145 -20.300 14.196 23.172 1144 HE22 GLN 145 HE22 GLN 145 -19.974 12.817 24.161 1145 H LEU 146 H LEU 146 -25.078 16.681 24.899 1146 HA LEU 146 HA LEU 146 -24.476 19.355 25.362 1147 HB2 LEU 146 HB2 LEU 146 -26.797 17.783 24.914 1148 HB3 LEU 146 HB3 LEU 146 -27.117 18.843 26.285 1149 HG LEU 146 HG LEU 146 -26.179 20.688 24.658 1150 HD11 LEU 146 HD11 LEU 146 -26.236 18.403 22.980 1151 HD12 LEU 146 HD12 LEU 146 -25.814 20.064 22.565 1152 HD13 LEU 146 HD13 LEU 146 -27.485 19.519 22.428 1153 HD21 LEU 146 HD21 LEU 146 -28.641 20.690 23.666 1154 HD22 LEU 146 HD22 LEU 146 -28.308 21.101 25.349 1155 HD23 LEU 146 HD23 LEU 146 -28.877 19.484 24.931 1156 H THR 147 H THR 147 -25.831 16.970 27.634 1157 HA THR 147 HA THR 147 -25.915 18.672 29.867 1158 HB THR 147 HB THR 147 -26.162 16.688 31.222 1159 HG1 THR 147 HG1 THR 147 -24.893 15.482 29.036 1160 HG21 THR 147 HG21 THR 147 -28.088 15.742 30.222 1161 HG22 THR 147 HG22 THR 147 -27.497 16.073 28.594 1162 HG23 THR 147 HG23 THR 147 -28.009 17.402 29.633 1163 H TYR 148 H TYR 148 -23.350 16.700 28.517 1164 HA TYR 148 HA TYR 148 -21.590 16.678 30.687 1165 HB2 TYR 148 HB2 TYR 148 -21.101 15.248 28.860 1166 HB3 TYR 148 HB3 TYR 148 -21.128 16.579 27.709 1167 HD1 TYR 148 HD2 TYR 148 -19.349 16.092 30.961 1168 HD2 TYR 148 HD1 TYR 148 -19.027 16.822 26.782 1169 HE1 TYR 148 HE2 TYR 148 -16.913 16.339 31.197 1170 HE2 TYR 148 HE1 TYR 148 -16.591 17.070 27.006 1171 HH TYR 148 HH TYR 148 -14.968 16.531 30.106 1172 H LEU 149 H LEU 149 -21.598 18.885 27.883 1173 HA LEU 149 HA LEU 149 -19.622 20.613 28.930 1174 HB2 LEU 149 HB2 LEU 149 -20.929 20.321 26.527 1175 HB3 LEU 149 HB3 LEU 149 -21.537 21.865 27.120 1176 HG LEU 149 HG LEU 149 -19.651 22.226 25.658 1177 HD11 LEU 149 HD11 LEU 149 -19.967 23.340 28.105 1178 HD12 LEU 149 HD12 LEU 149 -18.768 23.857 26.921 1179 HD13 LEU 149 HD13 LEU 149 -18.308 22.751 28.215 1180 HD21 LEU 149 HD21 LEU 149 -17.455 21.270 27.111 1181 HD22 LEU 149 HD22 LEU 149 -18.036 20.708 25.543 1182 HD23 LEU 149 HD23 LEU 149 -18.598 19.930 27.023 1183 H GLU 150 H GLU 150 -23.054 20.391 29.385 1184 HA GLU 150 HA GLU 150 -23.656 22.980 30.221 1185 HB2 GLU 150 HB2 GLU 150 -25.179 20.884 29.855 1186 HB3 GLU 150 HB3 GLU 150 -24.890 20.605 31.567 1187 HG2 GLU 150 HG2 GLU 150 -25.855 23.264 30.605 1188 HG3 GLU 150 HG3 GLU 150 -26.979 21.925 30.835 1189 H LYS 151 H LYS 151 -22.431 20.221 32.077 1190 HA LYS 151 HA LYS 151 -22.161 21.911 34.447 1191 HB2 LYS 151 HB2 LYS 151 -22.219 18.986 33.932 1192 HB3 LYS 151 HB3 LYS 151 -21.241 19.535 35.286 1193 HG2 LYS 151 HG2 LYS 151 -23.146 20.574 36.313 1194 HG3 LYS 151 HG3 LYS 151 -24.148 20.216 34.905 1195 HD2 LYS 151 HD2 LYS 151 -23.014 17.773 35.722 1196 HD3 LYS 151 HD3 LYS 151 -23.578 18.578 37.188 1197 HE2 LYS 151 HE2 LYS 151 -25.654 19.009 35.469 1198 HE3 LYS 151 HE3 LYS 151 -25.095 17.414 34.969 1199 HZ1 LYS 151 HZ1 LYS 151 -26.343 18.246 37.464 1200 HZ2 LYS 151 HZ2 LYS 151 -25.116 17.089 37.591 1201 HZ3 LYS 151 HZ3 LYS 151 -26.471 16.783 36.624 1202 H TYR 152 H TYR 152 -20.269 20.373 31.971 1203 HA TYR 152 HA TYR 152 -17.754 20.457 33.256 1204 HB2 TYR 152 HB2 TYR 152 -18.295 19.117 31.208 1205 HB3 TYR 152 HB3 TYR 152 -18.291 20.616 30.285 1206 HD1 TYR 152 HD2 TYR 152 -16.194 21.830 29.896 1207 HD2 TYR 152 HD1 TYR 152 -16.240 18.106 31.953 1208 HE1 TYR 152 HE2 TYR 152 -13.766 21.623 29.564 1209 HE2 TYR 152 HE1 TYR 152 -13.812 17.889 31.628 1210 HH TYR 152 HH TYR 152 -12.110 19.191 29.554 1211 H ARG 153 H ARG 153 -16.019 21.912 32.981 1212 HA ARG 153 HA ARG 153 -16.822 24.616 32.126 1213 HB2 ARG 153 HB2 ARG 153 -16.628 24.832 34.440 1214 HB3 ARG 153 HB3 ARG 153 -15.281 23.705 34.530 1215 HG2 ARG 153 HG2 ARG 153 -14.856 26.220 33.024 1216 HG3 ARG 153 HG3 ARG 153 -14.967 26.323 34.782 1217 HD2 ARG 153 HD2 ARG 153 -13.300 24.119 34.137 1218 HD3 ARG 153 HD3 ARG 153 -12.766 25.500 33.179 1219 HE ARG 153 HE ARG 153 -13.135 26.397 35.782 1220 HH11 ARG 153 HH11 ARG 153 -11.104 24.146 34.072 1221 HH12 ARG 153 HH12 ARG 153 -9.769 24.320 35.163 1222 HH21 ARG 153 HH21 ARG 153 -11.385 26.634 37.226 1223 HH22 ARG 153 HH22 ARG 153 -9.931 25.735 36.957 1224 HA PRO 154 HA PRO 154 -13.447 24.297 29.290 1225 HB2 PRO 154 HB2 PRO 154 -13.313 26.919 28.600 1226 HB3 PRO 154 HB3 PRO 154 -14.583 25.837 28.019 1227 HG2 PRO 154 HG2 PRO 154 -14.664 27.822 30.258 1228 HG3 PRO 154 HG3 PRO 154 -15.882 27.490 29.013 1229 HD2 PRO 154 HD2 PRO 154 -16.069 26.511 31.531 1230 HD3 PRO 154 HD3 PRO 154 -16.688 25.634 30.118 1231 H LYS 155 H LYS 155 -11.412 24.015 29.933 1232 HA LYS 155 HA LYS 155 -10.259 25.630 32.031 1233 HB2 LYS 155 HB2 LYS 155 -8.430 24.103 31.994 1234 HB3 LYS 155 HB3 LYS 155 -9.894 23.148 31.795 1235 HG2 LYS 155 HG2 LYS 155 -9.031 22.250 29.970 1236 HG3 LYS 155 HG3 LYS 155 -9.018 23.842 29.209 1237 HD2 LYS 155 HD2 LYS 155 -6.796 23.153 29.066 1238 HD3 LYS 155 HD3 LYS 155 -6.810 24.198 30.488 1239 HE2 LYS 155 HE2 LYS 155 -7.115 22.125 31.877 1240 HE3 LYS 155 HE3 LYS 155 -6.822 21.186 30.413 1241 HZ1 LYS 155 HZ1 LYS 155 -4.835 23.207 30.929 1242 HZ2 LYS 155 HZ2 LYS 155 -4.640 21.580 30.513 1243 HZ3 LYS 155 HZ3 LYS 155 -4.914 22.013 32.125 1244 H GLN 156 H GLN 156 -10.767 26.314 28.944 1245 HA GLN 156 HA GLN 156 -9.907 27.849 27.500 1246 HB2 GLN 156 HB2 GLN 156 -7.781 28.472 29.540 1247 HB3 GLN 156 HB3 GLN 156 -8.441 29.529 28.299 1248 HG2 GLN 156 HG2 GLN 156 -10.654 29.332 29.536 1249 HG3 GLN 156 HG3 GLN 156 -9.721 28.630 30.856 1250 HE21 GLN 156 HE21 GLN 156 -11.184 31.306 30.156 1251 HE22 GLN 156 HE22 GLN 156 -10.097 32.493 30.782 1252 H ARG 157 H ARG 157 -9.004 25.104 27.512 1253 HA ARG 157 HA ARG 157 -6.247 24.824 27.167 1254 HB2 ARG 157 HB2 ARG 157 -8.354 23.119 27.117 1255 HB3 ARG 157 HB3 ARG 157 -7.966 23.193 25.404 1256 HG2 ARG 157 HG2 ARG 157 -6.036 22.060 25.651 1257 HG3 ARG 157 HG3 ARG 157 -5.682 22.792 27.218 1258 HD2 ARG 157 HD2 ARG 157 -6.974 21.258 28.373 1259 HD3 ARG 157 HD3 ARG 157 -7.937 20.850 26.953 1260 HE ARG 157 HE ARG 157 -5.457 19.989 26.293 1261 HH11 ARG 157 HH11 ARG 157 -7.527 19.463 29.043 1262 HH12 ARG 157 HH12 ARG 157 -6.911 17.876 29.367 1263 HH21 ARG 157 HH21 ARG 157 -4.638 17.901 26.710 1264 HH22 ARG 157 HH22 ARG 157 -5.268 16.989 28.040 1265 H LEU 158 H LEU 158 -8.733 25.160 24.627 1266 HA LEU 158 HA LEU 158 -6.650 25.930 22.729 1267 HB2 LEU 158 HB2 LEU 158 -9.457 24.966 22.514 1268 HB3 LEU 158 HB3 LEU 158 -8.803 25.944 21.201 1269 HG LEU 158 HG LEU 158 -8.673 23.483 20.828 1270 HD11 LEU 158 HD11 LEU 158 -6.006 23.675 20.508 1271 HD12 LEU 158 HD12 LEU 158 -6.423 25.377 20.699 1272 HD13 LEU 158 HD13 LEU 158 -7.183 24.421 19.427 1273 HD21 LEU 158 HD21 LEU 158 -6.941 22.227 22.030 1274 HD22 LEU 158 HD22 LEU 158 -8.225 22.776 23.108 1275 HD23 LEU 158 HD23 LEU 158 -6.674 23.617 23.083 1276 H ARG 159 H ARG 159 -6.285 27.998 23.782 1277 HA ARG 159 HA ARG 159 -6.407 30.278 23.615 1278 HB2 ARG 159 HB2 ARG 159 -7.821 29.506 21.415 1279 HB3 ARG 159 HB3 ARG 159 -9.044 30.399 22.309 1280 HG2 ARG 159 HG2 ARG 159 -7.100 32.177 22.496 1281 HG3 ARG 159 HG3 ARG 159 -6.543 31.357 21.036 1282 HD2 ARG 159 HD2 ARG 159 -9.276 31.717 20.654 1283 HD3 ARG 159 HD3 ARG 159 -8.725 33.220 21.393 1284 HE ARG 159 HE ARG 159 -8.190 32.321 18.743 1285 HH11 ARG 159 HH11 ARG 159 -6.865 34.140 21.399 1286 HH12 ARG 159 HH12 ARG 159 -5.853 35.121 20.392 1287 HH21 ARG 159 HH21 ARG 159 -6.862 33.606 17.407 1288 HH22 ARG 159 HH22 ARG 159 -5.853 34.818 18.121 1289 H PHE 160 H PHE 160 -8.462 32.032 23.932 1290 HA PHE 160 HA PHE 160 -9.409 31.327 26.600 1291 HB2 PHE 160 HB2 PHE 160 -9.795 33.668 26.931 1292 HB3 PHE 160 HB3 PHE 160 -8.227 33.503 26.147 1293 HD1 PHE 160 HD2 PHE 160 -7.918 34.177 23.830 1294 HD2 PHE 160 HD1 PHE 160 -11.655 34.680 25.803 1295 HE1 PHE 160 HE2 PHE 160 -8.643 35.719 22.055 1296 HE2 PHE 160 HE1 PHE 160 -12.388 36.222 24.031 1297 HZ PHE 160 HZ PHE 160 -10.880 36.744 22.154 1298 H LYS 161 H LYS 161 -11.505 31.067 27.148 1299 HA LYS 161 HA LYS 161 -13.486 31.279 24.978 1300 HB2 LYS 161 HB2 LYS 161 -12.957 28.982 25.945 1301 HB3 LYS 161 HB3 LYS 161 -13.727 29.535 27.426 1302 HG2 LYS 161 HG2 LYS 161 -15.328 29.946 25.011 1303 HG3 LYS 161 HG3 LYS 161 -14.991 28.256 25.391 1304 HD2 LYS 161 HD2 LYS 161 -15.657 29.290 27.840 1305 HD3 LYS 161 HD3 LYS 161 -16.721 30.183 26.751 1306 HE2 LYS 161 HE2 LYS 161 -17.577 28.114 25.837 1307 HE3 LYS 161 HE3 LYS 161 -16.442 27.180 26.811 1308 HZ1 LYS 161 HZ1 LYS 161 -18.872 28.602 27.643 1309 HZ2 LYS 161 HZ2 LYS 161 -17.610 28.428 28.755 1310 HZ3 LYS 161 HZ3 LYS 161 -18.330 27.058 28.073 1311 H ASP 162 H ASP 162 -15.737 31.705 25.720 1312 HA ASP 162 HA ASP 162 -17.210 33.194 26.623 1313 HB2 ASP 162 HB2 ASP 162 -17.304 31.695 28.459 1314 HB3 ASP 162 HB3 ASP 162 -15.729 32.210 29.058 Start of MODEL 2 1 H1 MET 1 H MET 1 -11.092 -0.833 -1.346 2 HA MET 1 HA MET 1 -8.692 -0.124 0.211 3 HB2 MET 1 HB2 MET 1 -9.129 -2.598 -1.470 4 HB3 MET 1 HB3 MET 1 -7.673 -2.210 -0.565 5 HG2 MET 1 HG2 MET 1 -8.534 -3.401 1.091 6 HG3 MET 1 HG3 MET 1 -9.663 -2.070 1.334 7 HE1 MET 1 HE1 MET 1 -10.359 -4.583 2.483 8 HE2 MET 1 HE2 MET 1 -11.531 -5.611 1.658 9 HE3 MET 1 HE3 MET 1 -9.807 -5.812 1.345 10 H ALA 2 H ALA 2 -8.126 1.699 -0.930 11 HA ALA 2 HA ALA 2 -8.078 1.780 -3.789 12 HB1 ALA 2 HB1 ALA 2 -7.053 3.624 -1.652 13 HB2 ALA 2 HB2 ALA 2 -6.782 3.931 -3.368 14 HB3 ALA 2 HB3 ALA 2 -8.426 3.849 -2.736 15 H ARG 3 H ARG 3 -5.907 2.631 -4.806 16 HA ARG 3 HA ARG 3 -3.434 1.769 -3.832 17 HB2 ARG 3 HB2 ARG 3 -5.066 -0.346 -4.893 18 HB3 ARG 3 HB3 ARG 3 -3.655 -0.121 -5.919 19 HG2 ARG 3 HG2 ARG 3 -2.220 -0.865 -4.344 20 HG3 ARG 3 HG3 ARG 3 -3.156 -0.183 -3.013 21 HD2 ARG 3 HD2 ARG 3 -3.909 -2.230 -2.587 22 HD3 ARG 3 HD3 ARG 3 -4.780 -2.167 -4.119 23 HE ARG 3 HE ARG 3 -3.315 -3.707 -4.930 24 HH11 ARG 3 HH11 ARG 3 -1.807 -2.056 -2.262 25 HH12 ARG 3 HH12 ARG 3 -0.379 -3.037 -2.291 26 HH21 ARG 3 HH21 ARG 3 -1.440 -5.006 -4.979 27 HH22 ARG 3 HH22 ARG 3 -0.172 -4.714 -3.838 28 H MET 4 H MET 4 -2.396 3.421 -4.767 29 HA MET 4 HA MET 4 -1.529 4.807 -6.349 30 HB2 MET 4 HB2 MET 4 -1.920 2.258 -7.888 31 HB3 MET 4 HB3 MET 4 -1.297 3.698 -8.683 32 HG2 MET 4 HG2 MET 4 0.622 2.569 -8.085 33 HG3 MET 4 HG3 MET 4 0.431 3.735 -6.777 34 HE1 MET 4 HE1 MET 4 0.546 -0.270 -7.533 35 HE2 MET 4 HE2 MET 4 -0.834 -0.662 -6.507 36 HE3 MET 4 HE3 MET 4 -1.037 0.429 -7.878 37 H ASN 5 H ASN 5 -3.423 6.170 -6.101 38 HA ASN 5 HA ASN 5 -4.747 6.582 -8.643 39 HB2 ASN 5 HB2 ASN 5 -6.407 6.185 -6.145 40 HB3 ASN 5 HB3 ASN 5 -7.005 6.536 -7.764 41 HD21 ASN 5 HD21 ASN 5 -6.802 4.923 -9.383 42 HD22 ASN 5 HD22 ASN 5 -6.689 3.254 -8.952 43 H ARG 6 H ARG 6 -6.594 8.448 -7.983 44 HA ARG 6 HA ARG 6 -4.983 10.538 -6.674 45 HB2 ARG 6 HB2 ARG 6 -5.646 10.628 -9.221 46 HB3 ARG 6 HB3 ARG 6 -7.188 11.186 -8.587 47 HG2 ARG 6 HG2 ARG 6 -6.386 13.210 -8.095 48 HG3 ARG 6 HG3 ARG 6 -4.884 12.558 -7.436 49 HD2 ARG 6 HD2 ARG 6 -4.113 12.179 -9.781 50 HD3 ARG 6 HD3 ARG 6 -5.555 13.027 -10.336 51 HE ARG 6 HE ARG 6 -4.418 14.786 -8.621 52 HH11 ARG 6 HH11 ARG 6 -3.236 13.007 -11.370 53 HH12 ARG 6 HH12 ARG 6 -2.075 14.214 -11.817 54 HH21 ARG 6 HH21 ARG 6 -2.894 16.382 -9.199 55 HH22 ARG 6 HH22 ARG 6 -1.881 16.133 -10.580 56 HA PRO 7 HA PRO 7 -8.778 9.887 -4.079 57 HB2 PRO 7 HB2 PRO 7 -7.456 9.983 -1.710 58 HB3 PRO 7 HB3 PRO 7 -7.645 8.495 -2.645 59 HG2 PRO 7 HG2 PRO 7 -5.300 10.349 -2.488 60 HG3 PRO 7 HG3 PRO 7 -5.327 8.576 -2.475 61 HD2 PRO 7 HD2 PRO 7 -4.727 10.008 -4.694 62 HD3 PRO 7 HD3 PRO 7 -5.553 8.438 -4.765 63 H ALA 8 H ALA 8 -9.948 11.664 -3.761 64 HA ALA 8 HA ALA 8 -8.572 14.164 -3.048 65 HB1 ALA 8 HB1 ALA 8 -10.491 15.332 -3.961 66 HB2 ALA 8 HB2 ALA 8 -9.846 14.199 -5.150 67 HB3 ALA 8 HB3 ALA 8 -11.312 13.799 -4.255 68 HA PRO 9 HA PRO 9 -10.586 13.171 0.915 69 HB2 PRO 9 HB2 PRO 9 -8.878 14.678 2.392 70 HB3 PRO 9 HB3 PRO 9 -8.502 13.031 1.870 71 HG2 PRO 9 HG2 PRO 9 -7.638 15.640 0.682 72 HG3 PRO 9 HG3 PRO 9 -6.688 14.170 0.963 73 HD2 PRO 9 HD2 PRO 9 -7.686 14.816 -1.469 74 HD3 PRO 9 HD3 PRO 9 -7.494 13.135 -0.932 75 H VAL 10 H VAL 10 -10.725 15.048 2.857 76 HA VAL 10 HA VAL 10 -11.926 17.411 1.573 77 HB VAL 10 HB VAL 10 -13.112 15.639 3.689 78 HG11 VAL 10 HG11 VAL 10 -14.831 17.420 4.025 79 HG12 VAL 10 HG12 VAL 10 -13.236 17.820 4.664 80 HG13 VAL 10 HG13 VAL 10 -13.780 18.526 3.142 81 HG21 VAL 10 HG21 VAL 10 -13.935 16.669 1.004 82 HG22 VAL 10 HG22 VAL 10 -13.919 15.012 1.608 83 HG23 VAL 10 HG23 VAL 10 -15.151 16.143 2.168 84 H GLU 11 H GLU 11 -10.876 19.165 2.212 85 HA GLU 11 HA GLU 11 -9.527 19.174 4.808 86 HB2 GLU 11 HB2 GLU 11 -8.027 19.865 3.159 87 HB3 GLU 11 HB3 GLU 11 -9.247 20.797 2.302 88 HG2 GLU 11 HG2 GLU 11 -9.235 22.476 4.042 89 HG3 GLU 11 HG3 GLU 11 -8.086 21.525 4.982 90 H VAL 12 H VAL 12 -10.360 20.197 6.498 91 HA VAL 12 HA VAL 12 -12.465 22.205 6.022 92 HB VAL 12 HB VAL 12 -13.459 20.391 7.171 93 HG11 VAL 12 HG11 VAL 12 -11.170 20.479 9.134 94 HG12 VAL 12 HG12 VAL 12 -12.543 19.372 9.176 95 HG13 VAL 12 HG13 VAL 12 -11.375 19.281 7.857 96 HG21 VAL 12 HG21 VAL 12 -13.853 22.721 8.071 97 HG22 VAL 12 HG22 VAL 12 -14.237 21.395 9.169 98 HG23 VAL 12 HG23 VAL 12 -12.743 22.308 9.377 99 H SER 13 H SER 13 -11.613 24.175 6.221 100 HA SER 13 HA SER 13 -9.502 24.661 8.179 101 HB2 SER 13 HB2 SER 13 -8.834 26.395 6.866 102 HB3 SER 13 HB3 SER 13 -9.775 25.555 5.634 103 HG SER 13 HG SER 13 -11.545 26.900 6.190 104 H TYR 14 H TYR 14 -9.924 25.467 10.116 105 HA TYR 14 HA TYR 14 -12.567 26.613 10.632 106 HB2 TYR 14 HB2 TYR 14 -11.121 24.773 12.038 107 HB3 TYR 14 HB3 TYR 14 -10.723 26.255 12.900 108 HD1 TYR 14 HD2 TYR 14 -13.875 25.021 11.311 109 HD2 TYR 14 HD1 TYR 14 -11.940 26.353 14.858 110 HE1 TYR 14 HE2 TYR 14 -16.012 24.886 12.520 111 HE2 TYR 14 HE1 TYR 14 -14.072 26.220 16.078 112 HH TYR 14 HH TYR 14 -16.991 24.951 14.541 113 H LYS 15 H LYS 15 -11.926 28.082 12.931 114 HA LYS 15 HA LYS 15 -11.392 30.600 11.906 115 HB2 LYS 15 HB2 LYS 15 -11.013 31.283 14.272 116 HB3 LYS 15 HB3 LYS 15 -12.485 30.350 14.036 117 HG2 LYS 15 HG2 LYS 15 -10.960 28.331 14.688 118 HG3 LYS 15 HG3 LYS 15 -9.957 29.588 15.415 119 HD2 LYS 15 HD2 LYS 15 -12.902 29.269 15.972 120 HD3 LYS 15 HD3 LYS 15 -11.634 28.542 16.961 121 HE2 LYS 15 HE2 LYS 15 -11.980 30.488 18.113 122 HE3 LYS 15 HE3 LYS 15 -10.714 31.007 17.002 123 HZ1 LYS 15 HZ1 LYS 15 -13.410 31.299 15.996 124 HZ2 LYS 15 HZ2 LYS 15 -12.106 32.374 15.929 125 HZ3 LYS 15 HZ3 LYS 15 -13.049 32.275 17.330 126 H HIS 16 H HIS 16 -9.179 28.477 13.722 127 HA HIS 16 HA HIS 16 -6.933 29.701 12.302 128 HB2 HIS 16 HB2 HIS 16 -7.283 29.601 15.288 129 HB3 HIS 16 HB3 HIS 16 -5.679 29.652 14.563 130 HD1 HIS 16 HD1 HIS 16 -6.037 31.717 12.385 131 HD2 HIS 16 HD2 HIS 16 -7.663 32.126 16.186 132 HE1 HIS 16 HE1 HIS 16 -6.398 34.186 12.700 133 H MET 17 H MET 17 -8.052 27.232 11.775 134 HA MET 17 HA MET 17 -5.782 25.520 12.195 135 HB2 MET 17 HB2 MET 17 -6.610 24.006 13.659 136 HB3 MET 17 HB3 MET 17 -7.617 25.352 14.173 137 HG2 MET 17 HG2 MET 17 -9.235 24.459 12.326 138 HG3 MET 17 HG3 MET 17 -8.328 22.964 12.546 139 HE1 MET 17 HE1 MET 17 -11.806 22.695 13.994 140 HE2 MET 17 HE2 MET 17 -10.666 22.293 12.711 141 HE3 MET 17 HE3 MET 17 -10.656 21.377 14.218 142 H ARG 18 H ARG 18 -6.285 23.269 11.192 143 HA ARG 18 HA ARG 18 -8.317 23.245 9.152 144 HB2 ARG 18 HB2 ARG 18 -6.228 24.612 8.329 145 HB3 ARG 18 HB3 ARG 18 -5.523 23.017 8.106 146 HG2 ARG 18 HG2 ARG 18 -7.045 22.433 6.456 147 HG3 ARG 18 HG3 ARG 18 -8.201 23.672 6.949 148 HD2 ARG 18 HD2 ARG 18 -5.546 24.107 5.588 149 HD3 ARG 18 HD3 ARG 18 -7.146 24.330 4.881 150 HE ARG 18 HE ARG 18 -6.968 25.961 7.138 151 HH11 ARG 18 HH11 ARG 18 -5.523 25.664 3.984 152 HH12 ARG 18 HH12 ARG 18 -5.195 27.358 3.831 153 HH21 ARG 18 HH21 ARG 18 -6.541 28.194 6.948 154 HH22 ARG 18 HH22 ARG 18 -5.774 28.796 5.518 155 H PHE 19 H PHE 19 -8.997 21.219 8.980 156 HA PHE 19 HA PHE 19 -7.106 19.047 9.607 157 HB2 PHE 19 HB2 PHE 19 -10.035 19.340 10.246 158 HB3 PHE 19 HB3 PHE 19 -9.242 17.768 10.243 159 HD1 PHE 19 HD1 PHE 19 -8.435 21.175 11.544 160 HD2 PHE 19 HD2 PHE 19 -8.718 17.002 12.331 161 HE1 PHE 19 HE1 PHE 19 -7.674 21.562 13.852 162 HE2 PHE 19 HE2 PHE 19 -7.959 17.382 14.640 163 HZ PHE 19 HZ PHE 19 -7.436 19.664 15.404 164 H LEU 20 H LEU 20 -7.804 16.907 8.633 165 HA LEU 20 HA LEU 20 -9.038 17.280 5.992 166 HB2 LEU 20 HB2 LEU 20 -6.305 16.647 6.559 167 HB3 LEU 20 HB3 LEU 20 -7.067 15.281 5.746 168 HG LEU 20 HG LEU 20 -6.039 16.615 4.075 169 HD11 LEU 20 HD11 LEU 20 -7.789 16.304 2.755 170 HD12 LEU 20 HD12 LEU 20 -8.553 17.757 3.397 171 HD13 LEU 20 HD13 LEU 20 -8.836 16.198 4.170 172 HD21 LEU 20 HD21 LEU 20 -6.375 18.970 3.812 173 HD22 LEU 20 HD22 LEU 20 -5.871 18.671 5.475 174 HD23 LEU 20 HD23 LEU 20 -7.566 18.997 5.112 175 H ILE 21 H ILE 21 -10.867 16.141 6.173 176 HA ILE 21 HA ILE 21 -10.928 13.652 7.668 177 HB ILE 21 HB ILE 21 -13.392 13.770 6.618 178 HG12 ILE 21 HG12 ILE 21 -12.505 15.955 5.441 179 HG13 ILE 21 HG13 ILE 21 -14.142 15.887 6.084 180 HG21 ILE 21 HG21 ILE 21 -14.065 14.979 8.678 181 HG22 ILE 21 HG22 ILE 21 -12.930 13.662 8.974 182 HG23 ILE 21 HG23 ILE 21 -12.364 15.333 8.981 183 HD11 ILE 21 HD11 ILE 21 -11.905 16.919 7.769 184 HD12 ILE 21 HD12 ILE 21 -12.677 17.951 6.564 185 HD13 ILE 21 HD13 ILE 21 -13.633 17.254 7.872 186 H THR 22 H THR 22 -10.611 11.726 6.787 187 HA THR 22 HA THR 22 -10.207 11.415 3.975 188 HB THR 22 HB THR 22 -10.477 9.192 6.000 189 HG1 THR 22 HG1 THR 22 -8.020 10.377 5.249 190 HG21 THR 22 HG21 THR 22 -8.655 9.201 3.629 191 HG22 THR 22 HG22 THR 22 -10.367 8.841 3.411 192 HG23 THR 22 HG23 THR 22 -9.385 7.838 4.477 193 H HIS 23 H HIS 23 -12.058 11.753 2.817 194 HA HIS 23 HA HIS 23 -14.619 10.828 3.516 195 HB2 HIS 23 HB2 HIS 23 -15.302 11.481 1.334 196 HB3 HIS 23 HB3 HIS 23 -14.047 12.619 1.815 197 HD1 HIS 23 HD1 HIS 23 -11.542 11.028 1.076 198 HD2 HIS 23 HD2 HIS 23 -14.907 11.299 -1.347 199 HE1 HIS 23 HE1 HIS 23 -10.732 10.550 -1.256 200 H ASN 24 H ASN 24 -11.918 9.256 2.043 201 HA ASN 24 HA ASN 24 -13.594 6.925 1.395 202 HB2 ASN 24 HB2 ASN 24 -12.003 8.132 -0.337 203 HB3 ASN 24 HB3 ASN 24 -10.767 7.157 0.452 204 HD21 ASN 24 HD21 ASN 24 -11.200 6.749 -2.153 205 HD22 ASN 24 HD22 ASN 24 -12.017 5.250 -2.418 206 HA PRO 25 HA PRO 25 -11.358 5.628 5.189 207 HB2 PRO 25 HB2 PRO 25 -13.366 4.030 6.075 208 HB3 PRO 25 HB3 PRO 25 -13.317 5.770 6.382 209 HG2 PRO 25 HG2 PRO 25 -14.847 4.256 4.301 210 HG3 PRO 25 HG3 PRO 25 -15.380 5.604 5.323 211 HD2 PRO 25 HD2 PRO 25 -14.631 5.941 2.743 212 HD3 PRO 25 HD3 PRO 25 -14.373 7.185 3.982 213 H THR 26 H THR 26 -9.821 4.388 4.111 214 HA THR 26 HA THR 26 -10.432 1.560 3.942 215 HB THR 26 HB THR 26 -9.311 1.417 1.655 216 HG1 THR 26 HG1 THR 26 -9.745 3.451 0.430 217 HG21 THR 26 HG21 THR 26 -11.736 1.074 2.051 218 HG22 THR 26 HG22 THR 26 -11.388 1.765 0.466 219 HG23 THR 26 HG23 THR 26 -11.996 2.794 1.763 220 H ASN 27 H ASN 27 -7.816 3.467 2.485 221 HA ASN 27 HA ASN 27 -5.549 3.289 2.708 222 HB2 ASN 27 HB2 ASN 27 -6.231 3.177 5.653 223 HB3 ASN 27 HB3 ASN 27 -4.717 3.727 4.940 224 HD21 ASN 27 HD21 ASN 27 -6.229 5.257 6.701 225 HD22 ASN 27 HD22 ASN 27 -6.837 6.636 5.856 226 H ALA 28 H ALA 28 -6.361 0.912 1.940 227 HA ALA 28 HA ALA 28 -5.597 -1.160 3.808 228 HB1 ALA 28 HB1 ALA 28 -6.277 -1.409 0.881 229 HB2 ALA 28 HB2 ALA 28 -6.203 -2.712 2.068 230 HB3 ALA 28 HB3 ALA 28 -7.450 -1.471 2.198 231 H THR 29 H THR 29 -4.001 0.856 1.625 232 HA THR 29 HA THR 29 -1.709 -0.994 1.495 233 HB THR 29 HB THR 29 -2.276 -0.696 -0.745 234 HG1 THR 29 HG1 THR 29 -0.083 -0.124 -0.406 235 HG21 THR 29 HG21 THR 29 -2.904 1.464 -1.740 236 HG22 THR 29 HG22 THR 29 -2.763 2.227 -0.156 237 HG23 THR 29 HG23 THR 29 -3.999 1.002 -0.438 238 H LEU 30 H LEU 30 -2.837 2.206 2.263 239 HA LEU 30 HA LEU 30 -1.897 3.926 3.416 240 HB2 LEU 30 HB2 LEU 30 -1.147 1.957 4.845 241 HB3 LEU 30 HB3 LEU 30 0.410 2.101 4.033 242 HG LEU 30 HG LEU 30 0.193 4.608 4.888 243 HD11 LEU 30 HD11 LEU 30 -1.001 4.913 6.838 244 HD12 LEU 30 HD12 LEU 30 -1.110 3.184 7.168 245 HD13 LEU 30 HD13 LEU 30 -2.093 3.901 5.892 246 HD21 LEU 30 HD21 LEU 30 1.665 4.044 6.650 247 HD22 LEU 30 HD22 LEU 30 1.952 2.861 5.373 248 HD23 LEU 30 HD23 LEU 30 0.996 2.418 6.788 249 H SER 31 H SER 31 -0.971 2.981 0.597 250 HA SER 31 HA SER 31 1.623 4.255 0.384 251 HB2 SER 31 HB2 SER 31 -0.192 2.834 -1.547 252 HB3 SER 31 HB3 SER 31 1.174 3.783 -2.131 253 HG SER 31 HG SER 31 1.587 1.909 -0.087 254 H THR 32 H THR 32 -1.359 4.710 -1.512 255 HA THR 32 HA THR 32 -0.677 7.374 -2.231 256 HB THR 32 HB THR 32 -3.415 6.104 -2.378 257 HG1 THR 32 HG1 THR 32 -1.401 5.074 -3.458 258 HG21 THR 32 HG21 THR 32 -3.763 7.661 -4.228 259 HG22 THR 32 HG22 THR 32 -2.140 8.312 -3.998 260 HG23 THR 32 HG23 THR 32 -3.363 8.531 -2.747 261 H PHE 33 H PHE 33 -2.271 5.981 0.479 262 HA PHE 33 HA PHE 33 -3.921 8.102 1.275 263 HB2 PHE 33 HB2 PHE 33 -4.337 6.163 2.465 264 HB3 PHE 33 HB3 PHE 33 -2.627 5.802 2.678 265 HD1 PHE 33 HD1 PHE 33 -4.904 8.623 3.580 266 HD2 PHE 33 HD2 PHE 33 -1.947 5.842 4.859 267 HE1 PHE 33 HE1 PHE 33 -4.992 9.577 5.846 268 HE2 PHE 33 HE2 PHE 33 -2.030 6.791 7.127 269 HZ PHE 33 HZ PHE 33 -3.554 8.660 7.624 270 H ILE 34 H ILE 34 -0.608 7.304 2.321 271 HA ILE 34 HA ILE 34 -0.215 9.527 3.964 272 HB ILE 34 HB ILE 34 1.900 8.103 2.346 273 HG12 ILE 34 HG12 ILE 34 0.961 7.501 5.156 274 HG13 ILE 34 HG13 ILE 34 0.454 6.594 3.735 275 HG21 ILE 34 HG21 ILE 34 1.980 10.261 4.258 276 HG22 ILE 34 HG22 ILE 34 2.912 8.876 4.822 277 HG23 ILE 34 HG23 ILE 34 3.270 9.599 3.255 278 HD11 ILE 34 HD11 ILE 34 2.160 5.259 4.293 279 HD12 ILE 34 HD12 ILE 34 3.142 6.479 3.481 280 HD13 ILE 34 HD13 ILE 34 2.969 6.511 5.235 281 H GLU 35 H GLU 35 0.314 9.109 0.497 282 HA GLU 35 HA GLU 35 1.614 11.565 0.034 283 HB2 GLU 35 HB2 GLU 35 -0.162 10.162 -1.955 284 HB3 GLU 35 HB3 GLU 35 1.238 11.174 -2.278 285 HG2 GLU 35 HG2 GLU 35 2.140 9.067 -0.655 286 HG3 GLU 35 HG3 GLU 35 1.099 8.349 -1.883 287 H ASP 36 H ASP 36 -1.782 10.665 0.166 288 HA ASP 36 HA ASP 36 -2.880 13.011 -0.910 289 HB2 ASP 36 HB2 ASP 36 -3.892 10.646 0.035 290 HB3 ASP 36 HB3 ASP 36 -4.428 11.786 1.266 291 H LEU 37 H LEU 37 -2.347 12.112 2.497 292 HA LEU 37 HA LEU 37 -3.110 14.673 3.490 293 HB2 LEU 37 HB2 LEU 37 -2.244 13.866 5.632 294 HB3 LEU 37 HB3 LEU 37 -3.324 12.702 4.868 295 HG LEU 37 HG LEU 37 -1.098 11.626 4.021 296 HD11 LEU 37 HD11 LEU 37 -0.160 13.692 5.814 297 HD12 LEU 37 HD12 LEU 37 0.745 12.665 4.702 298 HD13 LEU 37 HD13 LEU 37 0.370 12.090 6.327 299 HD21 LEU 37 HD21 LEU 37 -1.492 10.027 5.549 300 HD22 LEU 37 HD22 LEU 37 -2.870 11.039 5.986 301 HD23 LEU 37 HD23 LEU 37 -1.368 11.147 6.906 302 H LYS 38 H LYS 38 -0.207 13.367 2.204 303 HA LYS 38 HA LYS 38 1.549 15.282 3.460 304 HB2 LYS 38 HB2 LYS 38 1.852 13.051 1.511 305 HB3 LYS 38 HB3 LYS 38 3.084 14.306 1.513 306 HG2 LYS 38 HG2 LYS 38 2.893 13.776 4.161 307 HG3 LYS 38 HG3 LYS 38 2.533 12.192 3.471 308 HD2 LYS 38 HD2 LYS 38 4.842 13.688 2.354 309 HD3 LYS 38 HD3 LYS 38 5.020 12.993 3.967 310 HE2 LYS 38 HE2 LYS 38 4.975 10.860 3.199 311 HE3 LYS 38 HE3 LYS 38 3.852 11.239 1.894 312 HZ1 LYS 38 HZ1 LYS 38 6.740 11.225 1.894 313 HZ2 LYS 38 HZ2 LYS 38 6.054 12.572 1.137 314 HZ3 LYS 38 HZ3 LYS 38 5.656 11.014 0.613 315 H LYS 39 H LYS 39 -0.054 14.878 0.353 316 HA LYS 39 HA LYS 39 1.259 17.093 -0.896 317 HB2 LYS 39 HB2 LYS 39 -0.286 16.755 -2.719 318 HB3 LYS 39 HB3 LYS 39 0.287 15.189 -2.161 319 HG2 LYS 39 HG2 LYS 39 -1.772 14.781 -1.002 320 HG3 LYS 39 HG3 LYS 39 -2.341 16.414 -1.355 321 HD2 LYS 39 HD2 LYS 39 -1.631 14.456 -3.524 322 HD3 LYS 39 HD3 LYS 39 -3.246 14.532 -2.815 323 HE2 LYS 39 HE2 LYS 39 -2.659 17.169 -3.388 324 HE3 LYS 39 HE3 LYS 39 -1.968 16.289 -4.750 325 HZ1 LYS 39 HZ1 LYS 39 -4.182 16.774 -5.325 326 HZ2 LYS 39 HZ2 LYS 39 -4.781 16.281 -3.822 327 HZ3 LYS 39 HZ3 LYS 39 -4.180 15.134 -4.909 328 H TYR 40 H TYR 40 -1.748 16.623 0.861 329 HA TYR 40 HA TYR 40 -2.860 19.169 0.249 330 HB2 TYR 40 HB2 TYR 40 -3.495 16.927 2.075 331 HB3 TYR 40 HB3 TYR 40 -4.095 18.509 2.562 332 HD1 TYR 40 HD2 TYR 40 -4.022 16.208 -0.373 333 HD2 TYR 40 HD1 TYR 40 -6.110 19.279 1.703 334 HE1 TYR 40 HE2 TYR 40 -5.915 15.959 -1.923 335 HE2 TYR 40 HE1 TYR 40 -8.010 19.038 0.160 336 HH TYR 40 HH TYR 40 -7.865 16.830 -2.602 337 H GLY 41 H GLY 41 -0.241 18.295 2.124 338 HA2 GLY 41 HA2 GLY 41 1.157 19.675 3.359 339 HA3 GLY 41 HA3 GLY 41 -0.048 20.949 3.242 340 H ALA 42 H ALA 42 -0.688 17.713 4.449 341 HA ALA 42 HA ALA 42 -1.329 18.899 7.061 342 HB1 ALA 42 HB1 ALA 42 -3.139 17.727 5.800 343 HB2 ALA 42 HB2 ALA 42 -2.229 16.228 5.997 344 HB3 ALA 42 HB3 ALA 42 -2.838 17.083 7.414 345 H THR 43 H THR 43 0.140 18.622 8.594 346 HA THR 43 HA THR 43 2.088 16.472 8.398 347 HB THR 43 HB THR 43 3.284 17.562 10.171 348 HG1 THR 43 HG1 THR 43 0.956 19.186 10.443 349 HG21 THR 43 HG21 THR 43 3.423 18.574 7.908 350 HG22 THR 43 HG22 THR 43 3.702 19.737 9.204 351 HG23 THR 43 HG23 THR 43 2.149 19.702 8.369 352 H THR 44 H THR 44 -0.486 15.526 8.863 353 HA THR 44 HA THR 44 -0.073 14.134 11.369 354 HB THR 44 HB THR 44 -2.819 14.819 11.447 355 HG1 THR 44 HG1 THR 44 -1.309 17.192 11.607 356 HG21 THR 44 HG21 THR 44 -1.035 14.293 13.269 357 HG22 THR 44 HG22 THR 44 -2.358 15.396 13.647 358 HG23 THR 44 HG23 THR 44 -0.763 16.035 13.253 359 H VAL 45 H VAL 45 -0.927 12.105 11.362 360 HA VAL 45 HA VAL 45 -2.056 11.182 8.847 361 HB VAL 45 HB VAL 45 -1.619 9.345 11.156 362 HG11 VAL 45 HG11 VAL 45 -1.737 9.219 8.214 363 HG12 VAL 45 HG12 VAL 45 -0.548 8.165 8.983 364 HG13 VAL 45 HG13 VAL 45 -2.252 8.044 9.424 365 HG21 VAL 45 HG21 VAL 45 0.777 9.155 10.532 366 HG22 VAL 45 HG22 VAL 45 0.588 10.584 9.515 367 HG23 VAL 45 HG23 VAL 45 0.362 10.707 11.259 368 H VAL 46 H VAL 46 -4.050 10.232 8.595 369 HA VAL 46 HA VAL 46 -6.093 11.058 10.426 370 HB VAL 46 HB VAL 46 -7.658 10.305 8.861 371 HG11 VAL 46 HG11 VAL 46 -6.619 10.913 6.595 372 HG12 VAL 46 HG12 VAL 46 -6.596 12.134 7.869 373 HG13 VAL 46 HG13 VAL 46 -5.139 11.208 7.506 374 HG21 VAL 46 HG21 VAL 46 -6.531 8.796 6.901 375 HG22 VAL 46 HG22 VAL 46 -5.650 8.234 8.321 376 HG23 VAL 46 HG23 VAL 46 -7.411 8.146 8.285 377 H ARG 47 H ARG 47 -4.262 9.328 11.687 378 HA ARG 47 HA ARG 47 -5.177 6.654 11.802 379 HB2 ARG 47 HB2 ARG 47 -3.352 8.364 13.404 380 HB3 ARG 47 HB3 ARG 47 -3.995 6.931 14.194 381 HG2 ARG 47 HG2 ARG 47 -3.201 5.711 12.041 382 HG3 ARG 47 HG3 ARG 47 -2.184 7.138 11.833 383 HD2 ARG 47 HD2 ARG 47 -0.717 6.190 13.209 384 HD3 ARG 47 HD3 ARG 47 -1.885 6.425 14.509 385 HE ARG 47 HE ARG 47 -2.264 4.021 12.953 386 HH11 ARG 47 HH11 ARG 47 -0.753 5.471 15.734 387 HH12 ARG 47 HH12 ARG 47 -0.561 3.970 16.576 388 HH21 ARG 47 HH21 ARG 47 -2.018 2.037 14.052 389 HH22 ARG 47 HH22 ARG 47 -1.280 2.017 15.618 390 H VAL 48 H VAL 48 -6.820 9.338 12.594 391 HA VAL 48 HA VAL 48 -7.908 8.691 15.141 392 HB VAL 48 HB VAL 48 -9.126 10.418 12.982 393 HG11 VAL 48 HG11 VAL 48 -10.134 9.561 15.469 394 HG12 VAL 48 HG12 VAL 48 -9.683 11.256 15.659 395 HG13 VAL 48 HG13 VAL 48 -10.808 10.778 14.386 396 HG21 VAL 48 HG21 VAL 48 -6.921 11.231 13.474 397 HG22 VAL 48 HG22 VAL 48 -8.095 12.296 14.248 398 HG23 VAL 48 HG23 VAL 48 -7.214 11.109 15.209 399 H CYS 49 H CYS 49 -8.326 6.389 14.702 400 HA CYS 49 HA CYS 49 -11.040 5.848 14.389 401 HB2 CYS 49 HB2 CYS 49 -11.080 4.662 12.236 402 HB3 CYS 49 HB3 CYS 49 -10.693 6.365 12.022 403 HG CYS 49 HG CYS 49 -8.022 5.998 11.508 404 H GLU 50 H GLU 50 -11.054 3.258 13.454 405 HA GLU 50 HA GLU 50 -9.952 1.856 15.658 406 HB2 GLU 50 HB2 GLU 50 -12.025 1.269 14.255 407 HB3 GLU 50 HB3 GLU 50 -10.894 0.560 13.111 408 HG2 GLU 50 HG2 GLU 50 -11.065 -1.313 14.279 409 HG3 GLU 50 HG3 GLU 50 -10.127 -0.510 15.537 410 H VAL 51 H VAL 51 -7.703 2.557 15.395 411 HA VAL 51 HA VAL 51 -6.194 1.427 13.198 412 HB VAL 51 HB VAL 51 -4.214 2.358 14.471 413 HG11 VAL 51 HG11 VAL 51 -6.474 4.003 13.417 414 HG12 VAL 51 HG12 VAL 51 -5.047 4.798 14.084 415 HG13 VAL 51 HG13 VAL 51 -4.885 3.696 12.716 416 HG21 VAL 51 HG21 VAL 51 -4.442 3.131 16.543 417 HG22 VAL 51 HG22 VAL 51 -5.759 4.197 16.053 418 HG23 VAL 51 HG23 VAL 51 -6.103 2.535 16.533 419 H THR 52 H THR 52 -4.185 0.165 13.688 420 HA THR 52 HA THR 52 -3.815 -1.275 16.056 421 HB THR 52 HB THR 52 -5.890 -2.399 15.675 422 HG1 THR 52 HG1 THR 52 -3.758 -3.655 16.020 423 HG21 THR 52 HG21 THR 52 -6.124 -3.766 13.504 424 HG22 THR 52 HG22 THR 52 -4.887 -2.686 12.860 425 HG23 THR 52 HG23 THR 52 -6.422 -2.030 13.428 426 H TYR 53 H TYR 53 -2.334 0.011 13.926 427 HA TYR 53 HA TYR 53 -0.581 -2.235 13.198 428 HB2 TYR 53 HB2 TYR 53 -0.188 -1.326 11.016 429 HB3 TYR 53 HB3 TYR 53 -1.931 -1.433 11.236 430 HD1 TYR 53 HD2 TYR 53 -3.280 0.587 11.488 431 HD2 TYR 53 HD1 TYR 53 0.923 0.819 10.868 432 HE1 TYR 53 HE2 TYR 53 -3.500 2.971 10.925 433 HE2 TYR 53 HE1 TYR 53 0.714 3.204 10.305 434 HH TYR 53 HH TYR 53 -0.655 4.967 10.236 435 H ASP 54 H ASP 54 1.523 -1.018 12.132 436 HA ASP 54 HA ASP 54 2.407 0.863 14.222 437 HB2 ASP 54 HB2 ASP 54 3.710 -1.485 12.959 438 HB3 ASP 54 HB3 ASP 54 4.741 -0.094 13.283 439 H LYS 55 H LYS 55 2.895 2.846 13.575 440 HA LYS 55 HA LYS 55 2.803 3.596 10.834 441 HB2 LYS 55 HB2 LYS 55 3.894 5.766 12.039 442 HB3 LYS 55 HB3 LYS 55 2.170 5.416 12.015 443 HG2 LYS 55 HG2 LYS 55 2.889 6.018 14.246 444 HG3 LYS 55 HG3 LYS 55 2.361 4.334 14.201 445 HD2 LYS 55 HD2 LYS 55 4.603 3.543 14.239 446 HD3 LYS 55 HD3 LYS 55 5.247 5.161 13.947 447 HE2 LYS 55 HE2 LYS 55 5.410 5.443 16.144 448 HE3 LYS 55 HE3 LYS 55 3.653 5.352 16.252 449 HZ1 LYS 55 HZ1 LYS 55 5.102 2.826 16.098 450 HZ2 LYS 55 HZ2 LYS 55 3.714 3.225 16.978 451 HZ3 LYS 55 HZ3 LYS 55 5.237 3.695 17.544 452 H THR 56 H THR 56 4.374 2.863 9.524 453 HA THR 56 HA THR 56 7.160 2.985 10.414 454 HB THR 56 HB THR 56 7.444 1.122 9.232 455 HG1 THR 56 HG1 THR 56 7.888 1.614 7.231 456 HG21 THR 56 HG21 THR 56 4.590 1.451 8.298 457 HG22 THR 56 HG22 THR 56 5.094 0.674 9.799 458 HG23 THR 56 HG23 THR 56 5.536 -0.035 8.246 459 HA PRO 57 HA PRO 57 7.281 5.491 6.281 460 HB2 PRO 57 HB2 PRO 57 4.900 6.127 5.144 461 HB3 PRO 57 HB3 PRO 57 5.777 4.639 4.768 462 HG2 PRO 57 HG2 PRO 57 3.469 5.058 6.627 463 HG3 PRO 57 HG3 PRO 57 3.747 3.746 5.466 464 HD2 PRO 57 HD2 PRO 57 4.224 3.471 8.117 465 HD3 PRO 57 HD3 PRO 57 5.181 2.628 6.882 466 H LEU 58 H LEU 58 4.025 6.470 7.319 467 HA LEU 58 HA LEU 58 4.453 9.181 7.384 468 HB2 LEU 58 HB2 LEU 58 2.506 9.369 8.746 469 HB3 LEU 58 HB3 LEU 58 2.266 8.031 7.624 470 HG LEU 58 HG LEU 58 1.362 7.408 9.746 471 HD11 LEU 58 HD11 LEU 58 3.996 5.987 9.692 472 HD12 LEU 58 HD12 LEU 58 2.834 5.788 8.380 473 HD13 LEU 58 HD13 LEU 58 2.387 5.347 10.028 474 HD21 LEU 58 HD21 LEU 58 3.210 9.059 10.848 475 HD22 LEU 58 HD22 LEU 58 3.895 7.480 11.231 476 HD23 LEU 58 HD23 LEU 58 2.257 7.881 11.751 477 H GLU 59 H GLU 59 5.660 6.814 9.543 478 HA GLU 59 HA GLU 59 6.042 8.501 11.812 479 HB2 GLU 59 HB2 GLU 59 5.993 6.189 12.267 480 HB3 GLU 59 HB3 GLU 59 7.147 5.827 10.992 481 HG2 GLU 59 HG2 GLU 59 8.176 5.585 13.164 482 HG3 GLU 59 HG3 GLU 59 8.914 6.918 12.277 483 H LYS 60 H LYS 60 8.249 7.265 9.305 484 HA LYS 60 HA LYS 60 10.423 8.910 10.203 485 HB2 LYS 60 HB2 LYS 60 10.188 7.470 7.560 486 HB3 LYS 60 HB3 LYS 60 11.662 7.987 8.368 487 HG2 LYS 60 HG2 LYS 60 9.778 5.823 9.278 488 HG3 LYS 60 HG3 LYS 60 11.394 5.608 8.603 489 HD2 LYS 60 HD2 LYS 60 12.386 6.700 10.510 490 HD3 LYS 60 HD3 LYS 60 10.793 7.097 11.157 491 HE2 LYS 60 HE2 LYS 60 10.920 5.197 12.313 492 HE3 LYS 60 HE3 LYS 60 10.699 4.356 10.779 493 HZ1 LYS 60 HZ1 LYS 60 12.633 3.410 11.405 494 HZ2 LYS 60 HZ2 LYS 60 13.111 4.714 12.369 495 HZ3 LYS 60 HZ3 LYS 60 13.304 4.789 10.690 496 H ASP 61 H ASP 61 7.703 9.406 8.244 497 HA ASP 61 HA ASP 61 8.842 11.389 6.505 498 HB2 ASP 61 HB2 ASP 61 6.307 10.033 6.796 499 HB3 ASP 61 HB3 ASP 61 6.060 11.767 6.604 500 H GLY 62 H GLY 62 8.263 11.410 9.730 501 HA2 GLY 62 HA2 GLY 62 8.284 13.123 11.267 502 HA3 GLY 62 HA3 GLY 62 8.516 14.241 9.931 503 H ILE 63 H ILE 63 5.806 12.039 10.091 504 HA ILE 63 HA ILE 63 4.020 14.359 10.294 505 HB ILE 63 HB ILE 63 3.502 11.555 9.305 506 HG12 ILE 63 HG12 ILE 63 3.174 14.080 7.720 507 HG13 ILE 63 HG13 ILE 63 4.774 13.373 7.918 508 HG21 ILE 63 HG21 ILE 63 1.608 13.883 9.582 509 HG22 ILE 63 HG22 ILE 63 1.257 12.403 8.692 510 HG23 ILE 63 HG23 ILE 63 1.525 12.341 10.434 511 HD11 ILE 63 HD11 ILE 63 3.988 12.528 5.894 512 HD12 ILE 63 HD12 ILE 63 3.735 11.216 7.047 513 HD13 ILE 63 HD13 ILE 63 2.377 12.223 6.543 514 H THR 64 H THR 64 2.606 14.604 11.933 515 HA THR 64 HA THR 64 2.977 13.154 14.333 516 HB THR 64 HB THR 64 0.930 15.185 13.471 517 HG1 THR 64 HG1 THR 64 3.274 15.135 15.006 518 HG21 THR 64 HG21 THR 64 1.094 13.733 16.113 519 HG22 THR 64 HG22 THR 64 -0.262 13.744 14.985 520 HG23 THR 64 HG23 THR 64 0.178 15.216 15.850 521 H VAL 65 H VAL 65 2.128 11.289 14.970 522 HA VAL 65 HA VAL 65 0.134 9.970 13.349 523 HB VAL 65 HB VAL 65 1.846 8.540 14.130 524 HG11 VAL 65 HG11 VAL 65 1.601 10.117 16.567 525 HG12 VAL 65 HG12 VAL 65 1.771 8.387 16.872 526 HG13 VAL 65 HG13 VAL 65 2.986 9.240 15.920 527 HG21 VAL 65 HG21 VAL 65 0.469 6.864 14.642 528 HG22 VAL 65 HG22 VAL 65 0.034 7.597 16.186 529 HG23 VAL 65 HG23 VAL 65 -0.821 8.063 14.716 530 H VAL 66 H VAL 66 -1.935 10.505 13.598 531 HA VAL 66 HA VAL 66 -2.932 11.143 16.288 532 HB VAL 66 HB VAL 66 -4.409 11.603 13.703 533 HG11 VAL 66 HG11 VAL 66 -5.836 12.967 14.933 534 HG12 VAL 66 HG12 VAL 66 -5.524 11.619 16.028 535 HG13 VAL 66 HG13 VAL 66 -4.681 13.152 16.253 536 HG21 VAL 66 HG21 VAL 66 -3.601 13.912 13.762 537 HG22 VAL 66 HG22 VAL 66 -2.571 13.519 15.139 538 HG23 VAL 66 HG23 VAL 66 -2.269 12.771 13.570 539 H ASP 67 H ASP 67 -3.205 9.038 17.055 540 HA ASP 67 HA ASP 67 -5.223 7.417 15.650 541 HB2 ASP 67 HB2 ASP 67 -4.300 5.542 17.125 542 HB3 ASP 67 HB3 ASP 67 -3.257 6.120 15.828 543 H TRP 68 H TRP 68 -7.183 7.619 16.489 544 HA TRP 68 HA TRP 68 -7.492 7.519 19.398 545 HB2 TRP 68 HB2 TRP 68 -8.958 9.535 17.686 546 HB3 TRP 68 HB3 TRP 68 -9.050 9.364 19.437 547 HD1 TRP 68 HD1 TRP 68 -7.620 11.617 17.082 548 HE1 TRP 68 HE1 TRP 68 -5.522 12.801 17.989 549 HE3 TRP 68 HE3 TRP 68 -6.599 8.542 21.036 550 HZ2 TRP 68 HZ2 TRP 68 -3.678 12.473 20.101 551 HZ3 TRP 68 HZ3 TRP 68 -4.650 9.047 22.450 552 HH2 TRP 68 HH2 TRP 68 -3.220 10.972 21.990 553 HA PRO 69 HA PRO 69 -10.549 4.549 18.214 554 HB2 PRO 69 HB2 PRO 69 -11.678 4.221 20.661 555 HB3 PRO 69 HB3 PRO 69 -10.108 3.534 20.228 556 HG2 PRO 69 HG2 PRO 69 -10.726 6.027 21.767 557 HG3 PRO 69 HG3 PRO 69 -9.503 4.784 22.093 558 HD2 PRO 69 HD2 PRO 69 -8.900 7.149 20.919 559 HD3 PRO 69 HD3 PRO 69 -8.031 5.647 20.543 560 H PHE 70 H PHE 70 -11.332 6.910 17.257 561 HA PHE 70 HA PHE 70 -13.961 7.471 18.447 562 HB2 PHE 70 HB2 PHE 70 -11.916 9.158 17.371 563 HB3 PHE 70 HB3 PHE 70 -13.365 9.332 16.387 564 HD1 PHE 70 HD2 PHE 70 -15.493 9.006 18.370 565 HD2 PHE 70 HD1 PHE 70 -11.791 11.091 18.632 566 HE1 PHE 70 HE2 PHE 70 -16.461 10.505 20.064 567 HE2 PHE 70 HE1 PHE 70 -12.753 12.593 20.327 568 HZ PHE 70 HZ PHE 70 -15.092 12.302 21.044 569 H ASP 71 H ASP 71 -12.981 5.313 16.460 570 HA ASP 71 HA ASP 71 -14.451 5.876 14.055 571 HB2 ASP 71 HB2 ASP 71 -12.454 4.444 14.015 572 HB3 ASP 71 HB3 ASP 71 -13.265 3.279 15.057 573 H ASP 72 H ASP 72 -15.056 4.235 17.074 574 HA ASP 72 HA ASP 72 -17.829 4.343 16.863 575 HB2 ASP 72 HB2 ASP 72 -18.127 1.743 16.670 576 HB3 ASP 72 HB3 ASP 72 -17.993 2.727 15.215 577 H GLY 73 H GLY 73 -15.019 2.681 18.141 578 HA2 GLY 73 HA2 GLY 73 -16.474 2.097 20.628 579 HA3 GLY 73 HA3 GLY 73 -14.934 1.395 20.155 580 H ALA 74 H ALA 74 -16.445 4.469 21.088 581 HA ALA 74 HA ALA 74 -13.866 5.266 22.273 582 HB1 ALA 74 HB1 ALA 74 -15.520 7.535 22.019 583 HB2 ALA 74 HB2 ALA 74 -14.039 7.162 21.136 584 HB3 ALA 74 HB3 ALA 74 -15.601 6.664 20.488 585 HA PRO 75 HA PRO 75 -15.676 5.496 26.263 586 HB2 PRO 75 HB2 PRO 75 -14.542 7.736 27.297 587 HB3 PRO 75 HB3 PRO 75 -13.644 6.235 27.041 588 HG2 PRO 75 HG2 PRO 75 -13.741 8.697 25.342 589 HG3 PRO 75 HG3 PRO 75 -12.344 7.703 25.792 590 HD2 PRO 75 HD2 PRO 75 -13.560 7.500 23.382 591 HD3 PRO 75 HD3 PRO 75 -12.799 6.113 24.187 592 HA PRO 76 HA PRO 76 -19.233 8.128 25.625 593 HB2 PRO 76 HB2 PRO 76 -20.634 7.211 27.762 594 HB3 PRO 76 HB3 PRO 76 -20.499 6.314 26.245 595 HG2 PRO 76 HG2 PRO 76 -18.976 5.959 28.798 596 HG3 PRO 76 HG3 PRO 76 -19.673 4.726 27.730 597 HD2 PRO 76 HD2 PRO 76 -17.040 5.359 27.703 598 HD3 PRO 76 HD3 PRO 76 -17.912 4.836 26.247 599 HA PRO 77 HA PRO 77 -18.465 9.996 30.081 600 HB2 PRO 77 HB2 PRO 77 -15.907 9.678 30.934 601 HB3 PRO 77 HB3 PRO 77 -17.201 8.543 31.335 602 HG2 PRO 77 HG2 PRO 77 -15.094 8.343 29.217 603 HG3 PRO 77 HG3 PRO 77 -15.687 7.093 30.327 604 HD2 PRO 77 HD2 PRO 77 -16.499 7.258 27.749 605 HD3 PRO 77 HD3 PRO 77 -17.557 6.667 29.047 606 H GLY 78 H GLY 78 -16.652 10.051 27.220 607 HA2 GLY 78 HA2 GLY 78 -15.855 11.855 26.018 608 HA3 GLY 78 HA3 GLY 78 -16.379 12.903 27.327 609 H LYS 79 H LYS 79 -14.048 10.217 27.236 610 HA LYS 79 HA LYS 79 -12.141 11.837 28.704 611 HB2 LYS 79 HB2 LYS 79 -12.398 9.545 29.408 612 HB3 LYS 79 HB3 LYS 79 -12.082 8.961 27.779 613 HG2 LYS 79 HG2 LYS 79 -10.144 8.624 29.171 614 HG3 LYS 79 HG3 LYS 79 -9.789 9.828 27.930 615 HD2 LYS 79 HD2 LYS 79 -10.261 11.605 29.606 616 HD3 LYS 79 HD3 LYS 79 -10.445 10.346 30.829 617 HE2 LYS 79 HE2 LYS 79 -8.059 9.645 29.851 618 HE3 LYS 79 HE3 LYS 79 -8.005 11.371 29.497 619 HZ1 LYS 79 HZ1 LYS 79 -8.438 10.123 32.156 620 HZ2 LYS 79 HZ2 LYS 79 -8.534 11.784 31.853 621 HZ3 LYS 79 HZ3 LYS 79 -7.065 10.971 31.649 622 H VAL 80 H VAL 80 -12.744 10.862 25.460 623 HA VAL 80 HA VAL 80 -10.139 11.024 24.400 624 HB VAL 80 HB VAL 80 -12.762 11.601 23.016 625 HG11 VAL 80 HG11 VAL 80 -9.958 11.303 22.048 626 HG12 VAL 80 HG12 VAL 80 -11.284 10.734 21.033 627 HG13 VAL 80 HG13 VAL 80 -11.216 12.425 21.530 628 HG21 VAL 80 HG21 VAL 80 -11.369 9.107 23.775 629 HG22 VAL 80 HG22 VAL 80 -13.091 9.429 23.575 630 HG23 VAL 80 HG23 VAL 80 -12.074 9.160 22.160 631 H VAL 81 H VAL 81 -12.411 13.446 25.364 632 HA VAL 81 HA VAL 81 -11.846 15.645 23.876 633 HB VAL 81 HB VAL 81 -12.353 17.032 25.772 634 HG11 VAL 81 HG11 VAL 81 -14.198 15.740 24.804 635 HG12 VAL 81 HG12 VAL 81 -13.899 14.449 25.969 636 HG13 VAL 81 HG13 VAL 81 -14.439 16.033 26.527 637 HG21 VAL 81 HG21 VAL 81 -10.951 16.239 27.481 638 HG22 VAL 81 HG22 VAL 81 -12.588 15.912 28.052 639 HG23 VAL 81 HG23 VAL 81 -11.611 14.606 27.382 640 H GLU 82 H GLU 82 -9.876 14.380 26.542 641 HA GLU 82 HA GLU 82 -7.966 16.371 26.703 642 HB2 GLU 82 HB2 GLU 82 -8.107 13.521 27.401 643 HB3 GLU 82 HB3 GLU 82 -6.476 14.111 27.117 644 HG2 GLU 82 HG2 GLU 82 -7.170 16.035 28.711 645 HG3 GLU 82 HG3 GLU 82 -8.441 14.920 29.211 646 H ASP 83 H ASP 83 -7.944 13.493 24.615 647 HA ASP 83 HA ASP 83 -5.499 14.097 23.333 648 HB2 ASP 83 HB2 ASP 83 -7.819 12.407 22.376 649 HB3 ASP 83 HB3 ASP 83 -6.213 12.426 21.653 650 H TRP 84 H TRP 84 -8.830 14.978 22.683 651 HA TRP 84 HA TRP 84 -8.647 15.884 20.076 652 HB2 TRP 84 HB2 TRP 84 -10.591 15.901 22.004 653 HB3 TRP 84 HB3 TRP 84 -10.240 17.619 21.836 654 HD1 TRP 84 HD1 TRP 84 -12.619 15.305 20.580 655 HE1 TRP 84 HE1 TRP 84 -13.497 15.943 18.247 656 HE3 TRP 84 HE3 TRP 84 -9.005 18.665 19.244 657 HZ2 TRP 84 HZ2 TRP 84 -12.755 17.644 16.120 658 HZ3 TRP 84 HZ3 TRP 84 -9.162 19.753 17.043 659 HH2 TRP 84 HH2 TRP 84 -10.999 19.251 15.514 660 H LEU 85 H LEU 85 -8.487 18.005 22.943 661 HA LEU 85 HA LEU 85 -7.533 20.253 21.595 662 HB2 LEU 85 HB2 LEU 85 -7.035 19.478 24.465 663 HB3 LEU 85 HB3 LEU 85 -6.881 21.097 23.785 664 HG LEU 85 HG LEU 85 -8.938 21.389 24.632 665 HD11 LEU 85 HD11 LEU 85 -9.192 21.184 22.104 666 HD12 LEU 85 HD12 LEU 85 -10.660 21.079 23.075 667 HD13 LEU 85 HD13 LEU 85 -9.928 19.613 22.423 668 HD21 LEU 85 HD21 LEU 85 -8.689 18.594 25.128 669 HD22 LEU 85 HD22 LEU 85 -10.313 18.921 24.524 670 HD23 LEU 85 HD23 LEU 85 -9.711 19.777 25.944 671 H SER 86 H SER 86 -5.752 17.714 23.323 672 HA SER 86 HA SER 86 -3.190 18.717 23.141 673 HB2 SER 86 HB2 SER 86 -4.023 16.556 24.270 674 HB3 SER 86 HB3 SER 86 -3.776 15.794 22.699 675 HG SER 86 HG SER 86 -1.943 16.581 24.572 676 H LEU 87 H LEU 87 -4.722 16.475 20.825 677 HA LEU 87 HA LEU 87 -2.698 16.443 18.932 678 HB2 LEU 87 HB2 LEU 87 -4.294 14.864 18.515 679 HB3 LEU 87 HB3 LEU 87 -5.626 15.959 18.880 680 HG LEU 87 HG LEU 87 -5.121 17.095 16.673 681 HD11 LEU 87 HD11 LEU 87 -3.245 14.779 16.538 682 HD12 LEU 87 HD12 LEU 87 -3.011 16.450 16.025 683 HD13 LEU 87 HD13 LEU 87 -4.016 15.366 15.064 684 HD21 LEU 87 HD21 LEU 87 -7.023 15.905 16.438 685 HD22 LEU 87 HD22 LEU 87 -6.320 14.438 17.121 686 HD23 LEU 87 HD23 LEU 87 -6.001 14.870 15.440 687 H VAL 88 H VAL 88 -5.706 18.347 18.662 688 HA VAL 88 HA VAL 88 -4.966 19.920 16.515 689 HB VAL 88 HB VAL 88 -7.247 19.823 17.538 690 HG11 VAL 88 HG11 VAL 88 -6.652 20.122 19.865 691 HG12 VAL 88 HG12 VAL 88 -6.031 21.738 19.526 692 HG13 VAL 88 HG13 VAL 88 -7.755 21.402 19.361 693 HG21 VAL 88 HG21 VAL 88 -6.126 22.590 17.105 694 HG22 VAL 88 HG22 VAL 88 -6.661 21.487 15.838 695 HG23 VAL 88 HG23 VAL 88 -7.825 22.130 16.996 696 H LYS 89 H LYS 89 -3.881 20.067 19.782 697 HA LYS 89 HA LYS 89 -2.847 22.770 19.539 698 HB2 LYS 89 HB2 LYS 89 -2.938 20.724 21.727 699 HB3 LYS 89 HB3 LYS 89 -1.817 22.075 21.843 700 HG2 LYS 89 HG2 LYS 89 -3.627 23.653 21.752 701 HG3 LYS 89 HG3 LYS 89 -4.790 22.358 21.459 702 HD2 LYS 89 HD2 LYS 89 -5.089 22.518 23.697 703 HD3 LYS 89 HD3 LYS 89 -3.675 21.462 23.735 704 HE2 LYS 89 HE2 LYS 89 -3.396 24.449 23.740 705 HE3 LYS 89 HE3 LYS 89 -3.684 23.555 25.232 706 HZ1 LYS 89 HZ1 LYS 89 -1.509 23.216 25.314 707 HZ2 LYS 89 HZ2 LYS 89 -1.272 23.867 23.771 708 HZ3 LYS 89 HZ3 LYS 89 -1.642 22.226 23.949 709 H ALA 90 H ALA 90 -1.779 19.525 19.087 710 HA ALA 90 HA ALA 90 1.040 20.244 19.179 711 HB1 ALA 90 HB1 ALA 90 0.197 18.072 20.085 712 HB2 ALA 90 HB2 ALA 90 -0.166 17.589 18.427 713 HB3 ALA 90 HB3 ALA 90 1.499 17.919 18.905 714 H LYS 91 H LYS 91 -1.122 18.701 16.792 715 HA LYS 91 HA LYS 91 0.474 18.692 14.591 716 HB2 LYS 91 HB2 LYS 91 -1.718 19.205 13.295 717 HB3 LYS 91 HB3 LYS 91 -1.621 17.741 14.264 718 HG2 LYS 91 HG2 LYS 91 -3.485 18.371 15.274 719 HG3 LYS 91 HG3 LYS 91 -2.583 19.704 15.997 720 HD2 LYS 91 HD2 LYS 91 -3.512 20.107 13.221 721 HD3 LYS 91 HD3 LYS 91 -4.765 20.046 14.462 722 HE2 LYS 91 HE2 LYS 91 -2.896 21.667 15.619 723 HE3 LYS 91 HE3 LYS 91 -2.744 22.096 13.915 724 HZ1 LYS 91 HZ1 LYS 91 -4.780 22.798 15.751 725 HZ2 LYS 91 HZ2 LYS 91 -5.454 21.965 14.442 726 HZ3 LYS 91 HZ3 LYS 91 -4.531 23.357 14.174 727 H PHE 92 H PHE 92 -1.142 21.463 16.010 728 HA PHE 92 HA PHE 92 -0.334 23.213 13.840 729 HB2 PHE 92 HB2 PHE 92 -2.367 23.959 14.599 730 HB3 PHE 92 HB3 PHE 92 -2.050 23.464 16.259 731 HD1 PHE 92 HD1 PHE 92 -0.774 25.910 13.746 732 HD2 PHE 92 HD2 PHE 92 -1.732 25.114 17.816 733 HE1 PHE 92 HE1 PHE 92 -0.221 28.236 14.328 734 HE2 PHE 92 HE2 PHE 92 -1.182 27.439 18.404 735 HZ PHE 92 HZ PHE 92 -0.426 29.004 16.659 736 H CYS 93 H CYS 93 0.592 22.471 17.140 737 HA CYS 93 HA CYS 93 2.455 24.652 17.343 738 HB2 CYS 93 HB2 CYS 93 1.332 23.722 19.333 739 HB3 CYS 93 HB3 CYS 93 2.152 22.187 19.071 740 HG CYS 93 HG CYS 93 4.627 22.992 19.776 741 H GLU 94 H GLU 94 2.492 21.629 15.855 742 HA GLU 94 HA GLU 94 5.413 21.407 16.017 743 HB2 GLU 94 HB2 GLU 94 5.130 19.157 15.106 744 HB3 GLU 94 HB3 GLU 94 4.147 19.377 16.546 745 HG2 GLU 94 HG2 GLU 94 2.423 18.620 15.390 746 HG3 GLU 94 HG3 GLU 94 2.486 20.102 14.438 747 H ALA 95 H ALA 95 2.762 21.919 13.791 748 HA ALA 95 HA ALA 95 4.724 22.385 11.639 749 HB1 ALA 95 HB1 ALA 95 3.059 21.706 10.024 750 HB2 ALA 95 HB2 ALA 95 3.288 20.425 11.216 751 HB3 ALA 95 HB3 ALA 95 1.870 21.470 11.306 752 HA PRO 96 HA PRO 96 3.304 26.532 11.361 753 HB2 PRO 96 HB2 PRO 96 3.667 27.017 8.715 754 HB3 PRO 96 HB3 PRO 96 5.008 26.880 9.859 755 HG2 PRO 96 HG2 PRO 96 3.924 24.838 7.957 756 HG3 PRO 96 HG3 PRO 96 5.612 25.238 8.328 757 HD2 PRO 96 HD2 PRO 96 4.354 23.091 9.397 758 HD3 PRO 96 HD3 PRO 96 5.612 23.992 10.268 759 H GLY 97 H GLY 97 1.067 26.025 11.857 760 HA2 GLY 97 HA2 GLY 97 -1.190 25.962 11.417 761 HA3 GLY 97 HA3 GLY 97 -0.786 27.072 10.116 762 H SER 98 H SER 98 0.563 23.885 10.091 763 HA SER 98 HA SER 98 -0.395 23.279 7.535 764 HB2 SER 98 HB2 SER 98 0.708 21.523 9.730 765 HB3 SER 98 HB3 SER 98 0.291 20.900 8.134 766 HG SER 98 HG SER 98 2.135 22.995 8.658 767 H CYS 99 H CYS 99 -1.435 20.782 7.496 768 HA CYS 99 HA CYS 99 -4.093 21.194 8.681 769 HB2 CYS 99 HB2 CYS 99 -3.200 19.647 6.247 770 HB3 CYS 99 HB3 CYS 99 -4.823 19.527 6.916 771 HG CYS 99 HG CYS 99 -4.088 21.410 4.583 772 H VAL 100 H VAL 100 -5.279 19.255 9.363 773 HA VAL 100 HA VAL 100 -3.467 17.198 10.450 774 HB VAL 100 HB VAL 100 -5.876 17.285 11.964 775 HG11 VAL 100 HG11 VAL 100 -4.311 17.766 13.812 776 HG12 VAL 100 HG12 VAL 100 -3.763 16.441 12.784 777 HG13 VAL 100 HG13 VAL 100 -3.032 18.039 12.630 778 HG21 VAL 100 HG21 VAL 100 -6.190 19.565 11.239 779 HG22 VAL 100 HG22 VAL 100 -5.679 19.558 12.927 780 HG23 VAL 100 HG23 VAL 100 -4.524 19.965 11.658 781 H ALA 101 H ALA 101 -3.753 15.380 9.338 782 HA ALA 101 HA ALA 101 -6.262 14.755 8.059 783 HB1 ALA 101 HB1 ALA 101 -3.721 14.199 7.397 784 HB2 ALA 101 HB2 ALA 101 -4.157 12.692 8.202 785 HB3 ALA 101 HB3 ALA 101 -5.101 13.261 6.826 786 H VAL 102 H VAL 102 -7.891 13.748 9.018 787 HA VAL 102 HA VAL 102 -7.312 11.744 11.087 788 HB VAL 102 HB VAL 102 -9.118 12.521 12.485 789 HG11 VAL 102 HG11 VAL 102 -7.533 14.982 11.823 790 HG12 VAL 102 HG12 VAL 102 -8.102 14.424 13.397 791 HG13 VAL 102 HG13 VAL 102 -6.789 13.575 12.581 792 HG21 VAL 102 HG21 VAL 102 -10.185 14.763 11.912 793 HG22 VAL 102 HG22 VAL 102 -9.573 14.509 10.278 794 HG23 VAL 102 HG23 VAL 102 -10.715 13.363 10.979 795 H HIS 103 H HIS 103 -8.743 10.023 11.199 796 HA HIS 103 HA HIS 103 -10.342 9.614 8.806 797 HB2 HIS 103 HB2 HIS 103 -8.842 7.821 9.515 798 HB3 HIS 103 HB3 HIS 103 -9.650 7.738 11.077 799 HD1 HIS 103 HD1 HIS 103 -9.590 6.091 7.930 800 HD2 HIS 103 HD2 HIS 103 -12.576 7.080 10.643 801 HE1 HIS 103 HE1 HIS 103 -11.523 4.580 7.382 802 H CYS 104 H CYS 104 -12.523 9.456 8.731 803 HA CYS 104 HA CYS 104 -14.088 9.259 11.158 804 HB2 CYS 104 HB2 CYS 104 -15.049 11.345 11.172 805 HB3 CYS 104 HB3 CYS 104 -13.451 11.764 10.567 806 HG CYS 104 HG CYS 104 -16.422 11.793 8.965 807 H VAL 105 H VAL 105 -16.375 8.949 10.734 808 HA VAL 105 HA VAL 105 -16.789 7.425 8.317 809 HB VAL 105 HB VAL 105 -18.931 6.806 9.259 810 HG11 VAL 105 HG11 VAL 105 -18.137 5.469 10.950 811 HG12 VAL 105 HG12 VAL 105 -16.628 5.938 10.163 812 HG13 VAL 105 HG13 VAL 105 -17.142 6.750 11.642 813 HG21 VAL 105 HG21 VAL 105 -18.531 9.237 10.809 814 HG22 VAL 105 HG22 VAL 105 -20.021 8.382 10.410 815 HG23 VAL 105 HG23 VAL 105 -19.055 7.871 11.794 816 H ALA 106 H ALA 106 -19.595 7.893 8.051 817 HA ALA 106 HA ALA 106 -19.639 9.862 6.090 818 HB1 ALA 106 HB1 ALA 106 -22.236 9.544 7.315 819 HB2 ALA 106 HB2 ALA 106 -21.678 9.057 5.714 820 HB3 ALA 106 HB3 ALA 106 -21.431 7.990 7.096 821 H GLY 107 H GLY 107 -19.892 10.153 9.522 822 HA2 GLY 107 HA2 GLY 107 -19.370 12.415 10.374 823 HA3 GLY 107 HA3 GLY 107 -20.523 13.023 9.196 824 H LEU 108 H LEU 108 -22.713 12.917 9.622 825 HA LEU 108 HA LEU 108 -24.462 13.226 11.087 826 HB2 LEU 108 HB2 LEU 108 -23.621 10.370 11.239 827 HB3 LEU 108 HB3 LEU 108 -24.914 10.938 12.293 828 HG LEU 108 HG LEU 108 -24.919 11.024 9.276 829 HD11 LEU 108 HD11 LEU 108 -26.501 9.322 11.197 830 HD12 LEU 108 HD12 LEU 108 -25.157 8.766 10.201 831 HD13 LEU 108 HD13 LEU 108 -26.645 9.326 9.439 832 HD21 LEU 108 HD21 LEU 108 -26.597 12.468 9.398 833 HD22 LEU 108 HD22 LEU 108 -26.349 12.584 11.141 834 HD23 LEU 108 HD23 LEU 108 -27.478 11.396 10.487 835 H GLY 109 H GLY 109 -22.666 10.932 13.104 836 HA2 GLY 109 HA2 GLY 109 -23.015 12.702 15.385 837 HA3 GLY 109 HA3 GLY 109 -22.408 11.053 15.426 838 H ARG 110 H ARG 110 -20.200 10.665 14.882 839 HA ARG 110 HA ARG 110 -18.300 12.079 16.093 840 HB2 ARG 110 HB2 ARG 110 -17.872 10.888 13.349 841 HB3 ARG 110 HB3 ARG 110 -16.643 11.164 14.576 842 HG2 ARG 110 HG2 ARG 110 -18.927 9.209 14.714 843 HG3 ARG 110 HG3 ARG 110 -17.212 8.835 14.530 844 HD2 ARG 110 HD2 ARG 110 -16.793 9.869 16.738 845 HD3 ARG 110 HD3 ARG 110 -18.528 10.121 16.919 846 HE ARG 110 HE ARG 110 -17.775 7.388 16.405 847 HH11 ARG 110 HH11 ARG 110 -18.316 9.823 18.834 848 HH12 ARG 110 HH12 ARG 110 -18.623 8.678 20.099 849 HH21 ARG 110 HH21 ARG 110 -18.178 5.872 18.061 850 HH22 ARG 110 HH22 ARG 110 -18.543 6.432 19.658 851 H ALA 111 H ALA 111 -19.399 12.758 12.787 852 HA ALA 111 HA ALA 111 -17.730 14.716 11.959 853 HB1 ALA 111 HB1 ALA 111 -20.593 14.175 11.550 854 HB2 ALA 111 HB2 ALA 111 -20.067 15.814 11.163 855 HB3 ALA 111 HB3 ALA 111 -19.304 14.433 10.374 856 HA PRO 112 HA PRO 112 -19.913 18.331 14.185 857 HB2 PRO 112 HB2 PRO 112 -22.233 17.854 15.513 858 HB3 PRO 112 HB3 PRO 112 -22.175 18.236 13.788 859 HG2 PRO 112 HG2 PRO 112 -22.431 15.573 15.131 860 HG3 PRO 112 HG3 PRO 112 -23.295 16.200 13.715 861 HD2 PRO 112 HD2 PRO 112 -21.199 14.499 13.507 862 HD3 PRO 112 HD3 PRO 112 -21.545 15.741 12.287 863 H VAL 113 H VAL 113 -20.445 15.288 15.937 864 HA VAL 113 HA VAL 113 -20.214 16.179 18.542 865 HB VAL 113 HB VAL 113 -19.534 13.584 17.220 866 HG11 VAL 113 HG11 VAL 113 -19.245 12.827 19.739 867 HG12 VAL 113 HG12 VAL 113 -17.875 13.381 18.775 868 HG13 VAL 113 HG13 VAL 113 -18.655 14.479 19.914 869 HG21 VAL 113 HG21 VAL 113 -21.228 13.118 19.321 870 HG22 VAL 113 HG22 VAL 113 -21.710 14.731 18.796 871 HG23 VAL 113 HG23 VAL 113 -21.723 13.390 17.651 872 H LEU 114 H LEU 114 -17.582 14.973 16.459 873 HA LEU 114 HA LEU 114 -15.505 15.509 18.278 874 HB2 LEU 114 HB2 LEU 114 -15.680 14.984 15.355 875 HB3 LEU 114 HB3 LEU 114 -14.167 15.615 16.002 876 HG LEU 114 HG LEU 114 -14.555 13.034 15.717 877 HD11 LEU 114 HD11 LEU 114 -12.774 12.701 17.121 878 HD12 LEU 114 HD12 LEU 114 -13.387 13.812 18.345 879 HD13 LEU 114 HD13 LEU 114 -12.668 14.443 16.864 880 HD21 LEU 114 HD21 LEU 114 -16.657 13.218 17.161 881 HD22 LEU 114 HD22 LEU 114 -15.553 13.374 18.528 882 HD23 LEU 114 HD23 LEU 114 -15.524 11.918 17.531 883 H VAL 115 H VAL 115 -16.373 17.309 15.319 884 HA VAL 115 HA VAL 115 -14.699 19.482 15.688 885 HB VAL 115 HB VAL 115 -16.456 18.821 13.767 886 HG11 VAL 115 HG11 VAL 115 -18.282 20.352 13.641 887 HG12 VAL 115 HG12 VAL 115 -18.355 19.566 15.219 888 HG13 VAL 115 HG13 VAL 115 -17.735 21.211 15.080 889 HG21 VAL 115 HG21 VAL 115 -14.496 20.351 13.635 890 HG22 VAL 115 HG22 VAL 115 -15.880 20.881 12.680 891 HG23 VAL 115 HG23 VAL 115 -15.529 21.653 14.226 892 H ALA 116 H ALA 116 -17.725 18.731 17.234 893 HA ALA 116 HA ALA 116 -18.306 21.326 18.223 894 HB1 ALA 116 HB1 ALA 116 -19.229 18.567 18.911 895 HB2 ALA 116 HB2 ALA 116 -19.675 19.935 19.931 896 HB3 ALA 116 HB3 ALA 116 -20.139 19.915 18.230 897 H LEU 117 H LEU 117 -16.698 18.503 19.665 898 HA LEU 117 HA LEU 117 -16.253 19.496 22.210 899 HB2 LEU 117 HB2 LEU 117 -15.781 17.176 21.304 900 HB3 LEU 117 HB3 LEU 117 -14.262 17.828 20.693 901 HG LEU 117 HG LEU 117 -14.126 16.560 22.865 902 HD11 LEU 117 HD11 LEU 117 -12.464 17.975 23.756 903 HD12 LEU 117 HD12 LEU 117 -13.239 19.422 23.112 904 HD13 LEU 117 HD13 LEU 117 -12.470 18.272 22.018 905 HD21 LEU 117 HD21 LEU 117 -15.477 19.031 23.948 906 HD22 LEU 117 HD22 LEU 117 -14.815 17.697 24.894 907 HD23 LEU 117 HD23 LEU 117 -16.208 17.429 23.845 908 H ALA 118 H ALA 118 -14.087 19.713 19.389 909 HA ALA 118 HA ALA 118 -12.164 21.340 20.693 910 HB1 ALA 118 HB1 ALA 118 -10.986 20.831 18.886 911 HB2 ALA 118 HB2 ALA 118 -12.408 20.043 18.201 912 HB3 ALA 118 HB3 ALA 118 -12.099 21.748 17.869 913 H LEU 119 H LEU 119 -14.971 22.033 18.676 914 HA LEU 119 HA LEU 119 -14.540 24.745 18.209 915 HB2 LEU 119 HB2 LEU 119 -16.267 23.767 16.995 916 HB3 LEU 119 HB3 LEU 119 -17.001 23.058 18.432 917 HG LEU 119 HG LEU 119 -17.887 25.183 19.103 918 HD11 LEU 119 HD11 LEU 119 -16.556 26.930 18.637 919 HD12 LEU 119 HD12 LEU 119 -17.499 27.014 17.150 920 HD13 LEU 119 HD13 LEU 119 -15.935 26.199 17.156 921 HD21 LEU 119 HD21 LEU 119 -19.120 23.872 17.397 922 HD22 LEU 119 HD22 LEU 119 -18.349 24.842 16.142 923 HD23 LEU 119 HD23 LEU 119 -19.432 25.605 17.307 924 H ILE 120 H ILE 120 -16.163 23.141 20.924 925 HA ILE 120 HA ILE 120 -16.911 25.519 22.264 926 HB ILE 120 HB ILE 120 -16.819 22.642 22.946 927 HG12 ILE 120 HG12 ILE 120 -19.101 23.137 23.733 928 HG13 ILE 120 HG13 ILE 120 -18.826 24.852 23.449 929 HG21 ILE 120 HG21 ILE 120 -16.682 24.812 25.023 930 HG22 ILE 120 HG22 ILE 120 -17.344 23.213 25.354 931 HG23 ILE 120 HG23 ILE 120 -15.659 23.385 24.865 932 HD11 ILE 120 HD11 ILE 120 -18.715 24.525 21.102 933 HD12 ILE 120 HD12 ILE 120 -18.687 22.771 21.288 934 HD13 ILE 120 HD13 ILE 120 -20.146 23.677 21.689 935 H GLU 121 H GLU 121 -14.188 23.277 22.752 936 HA GLU 121 HA GLU 121 -12.995 24.684 24.872 937 HB2 GLU 121 HB2 GLU 121 -11.837 22.793 22.824 938 HB3 GLU 121 HB3 GLU 121 -10.906 23.439 24.168 939 HG2 GLU 121 HG2 GLU 121 -13.446 22.241 24.965 940 HG3 GLU 121 HG3 GLU 121 -12.329 21.115 24.196 941 H SER 122 H SER 122 -13.169 25.374 21.537 942 HA SER 122 HA SER 122 -10.753 26.873 21.295 943 HB2 SER 122 HB2 SER 122 -11.363 26.502 19.159 944 HB3 SER 122 HB3 SER 122 -13.044 26.212 19.608 945 HG SER 122 HG SER 122 -13.301 28.057 18.602 946 H GLY 123 H GLY 123 -13.826 27.503 22.663 947 HA2 GLY 123 HA2 GLY 123 -13.786 29.498 24.165 948 HA3 GLY 123 HA3 GLY 123 -13.192 30.389 22.772 949 H MET 124 H MET 124 -15.614 27.954 22.319 950 HA MET 124 HA MET 124 -17.585 30.081 21.811 951 HB2 MET 124 HB2 MET 124 -16.662 28.211 20.053 952 HB3 MET 124 HB3 MET 124 -18.099 27.412 20.676 953 HG2 MET 124 HG2 MET 124 -19.039 28.529 18.951 954 HG3 MET 124 HG3 MET 124 -19.177 29.777 20.188 955 HE1 MET 124 HE1 MET 124 -18.230 32.256 19.756 956 HE2 MET 124 HE2 MET 124 -18.138 32.552 18.020 957 HE3 MET 124 HE3 MET 124 -19.495 31.644 18.689 958 H LYS 125 H LYS 125 -19.795 29.675 22.349 959 HA LYS 125 HA LYS 125 -20.107 28.375 24.872 960 HB2 LYS 125 HB2 LYS 125 -22.594 29.041 23.505 961 HB3 LYS 125 HB3 LYS 125 -21.964 29.627 25.039 962 HG2 LYS 125 HG2 LYS 125 -20.399 31.069 23.563 963 HG3 LYS 125 HG3 LYS 125 -21.577 30.732 22.292 964 HD2 LYS 125 HD2 LYS 125 -22.515 32.627 23.131 965 HD3 LYS 125 HD3 LYS 125 -23.264 31.459 24.223 966 HE2 LYS 125 HE2 LYS 125 -20.875 32.001 25.462 967 HE3 LYS 125 HE3 LYS 125 -21.311 33.562 24.768 968 HZ1 LYS 125 HZ1 LYS 125 -23.105 33.762 26.108 969 HZ2 LYS 125 HZ2 LYS 125 -22.182 32.770 27.120 970 HZ3 LYS 125 HZ3 LYS 125 -23.410 32.099 26.169 971 H TYR 126 H TYR 126 -21.007 26.444 25.366 972 HA TYR 126 HA TYR 126 -21.013 24.357 23.543 973 HB2 TYR 126 HB2 TYR 126 -21.061 23.369 25.561 974 HB3 TYR 126 HB3 TYR 126 -21.846 24.754 26.311 975 HD1 TYR 126 HD2 TYR 126 -22.615 21.855 24.089 976 HD2 TYR 126 HD1 TYR 126 -24.020 24.533 27.082 977 HE1 TYR 126 HE2 TYR 126 -24.712 20.579 24.239 978 HE2 TYR 126 HE1 TYR 126 -26.120 23.264 27.241 979 HH TYR 126 HH TYR 126 -27.370 21.519 25.249 980 H GLU 127 H GLU 127 -23.781 26.222 24.774 981 HA GLU 127 HA GLU 127 -25.763 24.864 23.318 982 HB2 GLU 127 HB2 GLU 127 -25.662 27.661 24.444 983 HB3 GLU 127 HB3 GLU 127 -27.094 26.996 23.671 984 HG2 GLU 127 HG2 GLU 127 -26.442 25.054 25.491 985 HG3 GLU 127 HG3 GLU 127 -26.021 26.542 26.338 986 H ASP 128 H ASP 128 -24.195 27.992 22.627 987 HA ASP 128 HA ASP 128 -25.373 28.554 20.205 988 HB2 ASP 128 HB2 ASP 128 -23.529 29.810 21.659 989 HB3 ASP 128 HB3 ASP 128 -22.454 29.097 20.460 990 H ALA 129 H ALA 129 -22.257 26.871 20.647 991 HA ALA 129 HA ALA 129 -21.788 26.216 17.998 992 HB1 ALA 129 HB1 ALA 129 -20.657 24.111 19.195 993 HB2 ALA 129 HB2 ALA 129 -19.956 25.730 19.238 994 HB3 ALA 129 HB3 ALA 129 -20.901 25.141 20.606 995 H ILE 130 H ILE 130 -23.538 24.341 20.459 996 HA ILE 130 HA ILE 130 -24.093 22.076 18.952 997 HB ILE 130 HB ILE 130 -25.635 23.398 21.171 998 HG12 ILE 130 HG12 ILE 130 -24.162 22.298 22.445 999 HG13 ILE 130 HG13 ILE 130 -24.761 20.777 21.791 1000 HG21 ILE 130 HG21 ILE 130 -26.925 21.245 21.293 1001 HG22 ILE 130 HG22 ILE 130 -27.314 22.278 19.919 1002 HG23 ILE 130 HG23 ILE 130 -26.291 20.859 19.694 1003 HD11 ILE 130 HD11 ILE 130 -22.527 22.441 20.655 1004 HD12 ILE 130 HD12 ILE 130 -22.361 20.932 21.552 1005 HD13 ILE 130 HD13 ILE 130 -23.137 20.936 19.969 1006 H GLN 131 H GLN 131 -26.240 24.883 19.458 1007 HA GLN 131 HA GLN 131 -28.295 24.176 17.780 1008 HB2 GLN 131 HB2 GLN 131 -27.143 26.850 18.515 1009 HB3 GLN 131 HB3 GLN 131 -28.501 26.733 17.404 1010 HG2 GLN 131 HG2 GLN 131 -28.651 26.890 20.140 1011 HG3 GLN 131 HG3 GLN 131 -29.943 26.386 19.052 1012 HE21 GLN 131 HE21 GLN 131 -27.643 25.401 21.411 1013 HE22 GLN 131 HE22 GLN 131 -28.159 23.758 21.547 1014 H PHE 132 H PHE 132 -25.146 25.450 16.944 1015 HA PHE 132 HA PHE 132 -25.736 26.083 14.241 1016 HB2 PHE 132 HB2 PHE 132 -23.743 26.870 15.650 1017 HB3 PHE 132 HB3 PHE 132 -23.012 25.313 15.274 1018 HD1 PHE 132 HD1 PHE 132 -25.039 27.583 13.136 1019 HD2 PHE 132 HD2 PHE 132 -21.252 25.774 13.848 1020 HE1 PHE 132 HE1 PHE 132 -24.208 28.493 11.007 1021 HE2 PHE 132 HE2 PHE 132 -20.415 26.682 11.720 1022 HZ PHE 132 HZ PHE 132 -21.893 28.044 10.296 1023 H ILE 133 H ILE 133 -23.678 23.448 15.486 1024 HA ILE 133 HA ILE 133 -23.741 21.978 13.075 1025 HB ILE 133 HB ILE 133 -22.868 20.085 14.472 1026 HG12 ILE 133 HG12 ILE 133 -22.617 22.009 16.748 1027 HG13 ILE 133 HG13 ILE 133 -24.126 21.126 16.548 1028 HG21 ILE 133 HG21 ILE 133 -20.944 21.013 13.872 1029 HG22 ILE 133 HG22 ILE 133 -21.671 22.618 13.886 1030 HG23 ILE 133 HG23 ILE 133 -20.972 21.955 15.362 1031 HD11 ILE 133 HD11 ILE 133 -21.516 19.675 16.577 1032 HD12 ILE 133 HD12 ILE 133 -22.298 20.163 18.081 1033 HD13 ILE 133 HD13 ILE 133 -23.132 19.083 16.964 1034 H ARG 134 H ARG 134 -26.057 22.369 15.506 1035 HA ARG 134 HA ARG 134 -27.318 19.783 15.107 1036 HB2 ARG 134 HB2 ARG 134 -27.325 20.775 17.345 1037 HB3 ARG 134 HB3 ARG 134 -28.186 22.180 16.732 1038 HG2 ARG 134 HG2 ARG 134 -30.043 20.612 16.071 1039 HG3 ARG 134 HG3 ARG 134 -29.198 19.364 16.990 1040 HD2 ARG 134 HD2 ARG 134 -29.246 21.006 18.940 1041 HD3 ARG 134 HD3 ARG 134 -30.414 21.923 17.989 1042 HE ARG 134 HE ARG 134 -31.110 19.155 18.284 1043 HH11 ARG 134 HH11 ARG 134 -31.268 22.307 19.753 1044 HH12 ARG 134 HH12 ARG 134 -32.670 21.939 20.701 1045 HH21 ARG 134 HH21 ARG 134 -32.956 18.657 19.528 1046 HH22 ARG 134 HH22 ARG 134 -33.629 19.862 20.573 1047 H GLN 135 H GLN 135 -27.961 23.191 14.386 1048 HA GLN 135 HA GLN 135 -30.464 22.713 13.118 1049 HB2 GLN 135 HB2 GLN 135 -30.438 25.006 12.526 1050 HB3 GLN 135 HB3 GLN 135 -29.659 24.908 14.100 1051 HG2 GLN 135 HG2 GLN 135 -27.495 25.148 13.119 1052 HG3 GLN 135 HG3 GLN 135 -28.165 25.021 11.493 1053 HE21 GLN 135 HE21 GLN 135 -29.253 26.767 10.608 1054 HE22 GLN 135 HE22 GLN 135 -29.158 28.355 11.282 1055 H LYS 136 H LYS 136 -27.152 22.657 12.069 1056 HA LYS 136 HA LYS 136 -27.466 22.985 9.318 1057 HB2 LYS 136 HB2 LYS 136 -25.320 21.970 9.078 1058 HB3 LYS 136 HB3 LYS 136 -25.294 22.880 10.583 1059 HG2 LYS 136 HG2 LYS 136 -24.752 21.066 11.726 1060 HG3 LYS 136 HG3 LYS 136 -26.153 20.197 11.096 1061 HD2 LYS 136 HD2 LYS 136 -24.052 19.049 10.560 1062 HD3 LYS 136 HD3 LYS 136 -24.896 19.581 9.103 1063 HE2 LYS 136 HE2 LYS 136 -23.143 20.794 8.475 1064 HE3 LYS 136 HE3 LYS 136 -23.127 21.646 10.019 1065 HZ1 LYS 136 HZ1 LYS 136 -22.061 19.273 10.680 1066 HZ2 LYS 136 HZ2 LYS 136 -21.159 20.643 10.271 1067 HZ3 LYS 136 HZ3 LYS 136 -21.476 19.461 9.104 1068 H ARG 137 H ARG 137 -28.436 20.412 11.357 1069 HA ARG 137 HA ARG 137 -29.525 18.984 9.081 1070 HB2 ARG 137 HB2 ARG 137 -27.368 17.924 9.233 1071 HB3 ARG 137 HB3 ARG 137 -27.537 17.722 10.972 1072 HG2 ARG 137 HG2 ARG 137 -28.506 15.755 10.686 1073 HG3 ARG 137 HG3 ARG 137 -29.748 16.477 9.662 1074 HD2 ARG 137 HD2 ARG 137 -27.037 15.487 8.789 1075 HD3 ARG 137 HD3 ARG 137 -28.593 14.731 8.450 1076 HE ARG 137 HE ARG 137 -28.506 17.408 7.492 1077 HH11 ARG 137 HH11 ARG 137 -27.445 14.167 6.791 1078 HH12 ARG 137 HH12 ARG 137 -27.356 14.427 5.080 1079 HH21 ARG 137 HH21 ARG 137 -28.392 17.762 5.242 1080 HH22 ARG 137 HH22 ARG 137 -27.894 16.473 4.200 1081 H ARG 138 H ARG 138 -28.908 17.600 12.249 1082 HA ARG 138 HA ARG 138 -31.102 18.359 13.693 1083 HB2 ARG 138 HB2 ARG 138 -31.869 16.719 11.449 1084 HB3 ARG 138 HB3 ARG 138 -32.258 15.902 12.956 1085 HG2 ARG 138 HG2 ARG 138 -33.191 18.362 13.508 1086 HG3 ARG 138 HG3 ARG 138 -33.419 18.326 11.759 1087 HD2 ARG 138 HD2 ARG 138 -35.420 17.513 12.788 1088 HD3 ARG 138 HD3 ARG 138 -34.601 16.150 12.026 1089 HE ARG 138 HE ARG 138 -33.783 16.299 14.699 1090 HH11 ARG 138 HH11 ARG 138 -36.629 15.593 12.823 1091 HH12 ARG 138 HH12 ARG 138 -37.301 14.519 14.005 1092 HH21 ARG 138 HH21 ARG 138 -34.657 14.887 16.263 1093 HH22 ARG 138 HH22 ARG 138 -36.178 14.118 15.961 1094 H GLY 139 H GLY 139 -30.715 17.636 15.683 1095 HA2 GLY 139 HA2 GLY 139 -29.681 16.461 17.375 1096 HA3 GLY 139 HA3 GLY 139 -30.392 15.073 16.565 1097 H ALA 140 H ALA 140 -27.657 17.288 15.971 1098 HA ALA 140 HA ALA 140 -26.081 15.109 14.906 1099 HB1 ALA 140 HB1 ALA 140 -25.216 16.786 13.738 1100 HB2 ALA 140 HB2 ALA 140 -26.039 17.973 14.750 1101 HB3 ALA 140 HB3 ALA 140 -24.449 17.369 15.215 1102 H ILE 141 H ILE 141 -25.536 17.504 17.500 1103 HA ILE 141 HA ILE 141 -23.604 15.703 18.734 1104 HB ILE 141 HB ILE 141 -22.882 17.978 18.606 1105 HG12 ILE 141 HG12 ILE 141 -23.547 18.161 21.436 1106 HG13 ILE 141 HG13 ILE 141 -23.025 16.541 20.984 1107 HG21 ILE 141 HG21 ILE 141 -24.460 19.548 18.491 1108 HG22 ILE 141 HG22 ILE 141 -25.640 18.533 19.318 1109 HG23 ILE 141 HG23 ILE 141 -24.495 19.494 20.253 1110 HD11 ILE 141 HD11 ILE 141 -21.495 19.084 20.488 1111 HD12 ILE 141 HD12 ILE 141 -21.163 17.898 21.751 1112 HD13 ILE 141 HD13 ILE 141 -20.971 17.457 20.054 1113 H ASN 142 H ASN 142 -26.862 16.099 18.850 1114 HA ASN 142 HA ASN 142 -27.590 16.213 21.510 1115 HB2 ASN 142 HB2 ASN 142 -28.866 15.629 19.087 1116 HB3 ASN 142 HB3 ASN 142 -29.168 14.227 20.110 1117 HD21 ASN 142 HD21 ASN 142 -29.541 17.691 19.819 1118 HD22 ASN 142 HD22 ASN 142 -30.824 17.842 20.967 1119 H SER 143 H SER 143 -28.657 14.203 22.645 1120 HA SER 143 HA SER 143 -28.465 12.095 23.551 1121 HB2 SER 143 HB2 SER 143 -25.974 11.525 21.980 1122 HB3 SER 143 HB3 SER 143 -27.231 10.412 22.521 1123 HG SER 143 HG SER 143 -27.827 10.633 20.496 1124 H LYS 144 H LYS 144 -26.086 10.747 24.256 1125 HA LYS 144 HA LYS 144 -25.366 11.886 26.621 1126 HB2 LYS 144 HB2 LYS 144 -23.641 10.204 24.797 1127 HB3 LYS 144 HB3 LYS 144 -23.262 10.546 26.480 1128 HG2 LYS 144 HG2 LYS 144 -24.303 8.596 26.847 1129 HG3 LYS 144 HG3 LYS 144 -25.767 9.575 26.732 1130 HD2 LYS 144 HD2 LYS 144 -26.430 8.365 24.990 1131 HD3 LYS 144 HD3 LYS 144 -24.992 8.867 24.098 1132 HE2 LYS 144 HE2 LYS 144 -23.853 6.945 24.585 1133 HE3 LYS 144 HE3 LYS 144 -24.705 6.697 26.108 1134 HZ1 LYS 144 HZ1 LYS 144 -25.847 5.162 24.995 1135 HZ2 LYS 144 HZ2 LYS 144 -25.334 5.722 23.484 1136 HZ3 LYS 144 HZ3 LYS 144 -26.660 6.444 24.247 1137 H GLN 145 H GLN 145 -23.854 12.441 23.471 1138 HA GLN 145 HA GLN 145 -21.668 13.948 24.230 1139 HB2 GLN 145 HB2 GLN 145 -22.260 13.175 21.903 1140 HB3 GLN 145 HB3 GLN 145 -23.378 14.530 21.811 1141 HG2 GLN 145 HG2 GLN 145 -21.457 15.284 20.738 1142 HG3 GLN 145 HG3 GLN 145 -21.374 16.005 22.345 1143 HE21 GLN 145 HE21 GLN 145 -19.153 16.255 22.248 1144 HE22 GLN 145 HE22 GLN 145 -18.063 14.920 22.364 1145 H LEU 146 H LEU 146 -24.930 15.140 23.435 1146 HA LEU 146 HA LEU 146 -24.473 17.842 23.915 1147 HB2 LEU 146 HB2 LEU 146 -26.629 16.283 23.204 1148 HB3 LEU 146 HB3 LEU 146 -27.109 16.936 24.769 1149 HG LEU 146 HG LEU 146 -26.494 19.226 23.764 1150 HD11 LEU 146 HD11 LEU 146 -26.142 19.459 21.546 1151 HD12 LEU 146 HD12 LEU 146 -27.171 18.090 21.125 1152 HD13 LEU 146 HD13 LEU 146 -25.528 17.813 21.704 1153 HD21 LEU 146 HD21 LEU 146 -28.766 19.020 22.361 1154 HD22 LEU 146 HD22 LEU 146 -28.724 19.098 24.122 1155 HD23 LEU 146 HD23 LEU 146 -28.877 17.539 23.312 1156 H THR 147 H THR 147 -25.872 15.437 26.146 1157 HA THR 147 HA THR 147 -26.062 17.093 28.380 1158 HB THR 147 HB THR 147 -26.147 15.062 29.732 1159 HG1 THR 147 HG1 THR 147 -25.918 13.037 28.328 1160 HG21 THR 147 HG21 THR 147 -27.584 14.053 27.384 1161 HG22 THR 147 HG22 THR 147 -27.904 15.749 27.751 1162 HG23 THR 147 HG23 THR 147 -28.192 14.511 28.974 1163 H TYR 148 H TYR 148 -23.351 15.228 27.140 1164 HA TYR 148 HA TYR 148 -21.636 15.273 29.305 1165 HB2 TYR 148 HB2 TYR 148 -21.099 14.046 27.284 1166 HB3 TYR 148 HB3 TYR 148 -20.979 15.543 26.365 1167 HD1 TYR 148 HD2 TYR 148 -19.563 14.381 29.629 1168 HD2 TYR 148 HD1 TYR 148 -18.800 15.970 25.757 1169 HE1 TYR 148 HE2 TYR 148 -17.164 14.507 30.159 1170 HE2 TYR 148 HE1 TYR 148 -16.400 16.100 26.276 1171 HH TYR 148 HH TYR 148 -15.058 14.662 29.132 1172 H LEU 149 H LEU 149 -21.615 17.630 26.624 1173 HA LEU 149 HA LEU 149 -19.880 19.441 27.907 1174 HB2 LEU 149 HB2 LEU 149 -21.008 19.195 25.404 1175 HB3 LEU 149 HB3 LEU 149 -21.748 20.665 26.036 1176 HG LEU 149 HG LEU 149 -19.829 21.282 24.758 1177 HD11 LEU 149 HD11 LEU 149 -19.037 22.782 26.230 1178 HD12 LEU 149 HD12 LEU 149 -18.579 21.548 27.402 1179 HD13 LEU 149 HD13 LEU 149 -20.253 22.092 27.305 1180 HD21 LEU 149 HD21 LEU 149 -17.617 20.433 25.158 1181 HD22 LEU 149 HD22 LEU 149 -18.704 19.073 24.873 1182 HD23 LEU 149 HD23 LEU 149 -18.189 19.462 26.515 1183 H GLU 150 H GLU 150 -23.325 18.979 28.050 1184 HA GLU 150 HA GLU 150 -24.153 21.460 29.004 1185 HB2 GLU 150 HB2 GLU 150 -25.498 19.297 28.373 1186 HB3 GLU 150 HB3 GLU 150 -25.353 18.941 30.088 1187 HG2 GLU 150 HG2 GLU 150 -26.370 21.602 29.207 1188 HG3 GLU 150 HG3 GLU 150 -27.436 20.199 29.192 1189 H LYS 151 H LYS 151 -22.972 18.631 30.792 1190 HA LYS 151 HA LYS 151 -23.011 20.145 33.284 1191 HB2 LYS 151 HB2 LYS 151 -22.787 17.282 32.539 1192 HB3 LYS 151 HB3 LYS 151 -21.949 17.781 34.003 1193 HG2 LYS 151 HG2 LYS 151 -23.990 18.571 34.976 1194 HG3 LYS 151 HG3 LYS 151 -24.866 18.295 33.469 1195 HD2 LYS 151 HD2 LYS 151 -23.509 15.899 34.339 1196 HD3 LYS 151 HD3 LYS 151 -24.577 16.518 35.600 1197 HE2 LYS 151 HE2 LYS 151 -26.199 16.771 33.481 1198 HE3 LYS 151 HE3 LYS 151 -25.217 15.413 32.931 1199 HZ1 LYS 151 HZ1 LYS 151 -27.381 15.157 34.465 1200 HZ2 LYS 151 HZ2 LYS 151 -26.184 15.231 35.659 1201 HZ3 LYS 151 HZ3 LYS 151 -26.105 14.045 34.455 1202 H TYR 152 H TYR 152 -20.788 18.991 30.877 1203 HA TYR 152 HA TYR 152 -18.407 19.160 32.389 1204 HB2 TYR 152 HB2 TYR 152 -18.680 17.985 30.179 1205 HB3 TYR 152 HB3 TYR 152 -18.681 19.567 29.407 1206 HD1 TYR 152 HD2 TYR 152 -16.634 20.966 29.454 1207 HD2 TYR 152 HD1 TYR 152 -16.651 16.977 30.936 1208 HE1 TYR 152 HE2 TYR 152 -14.176 20.926 29.360 1209 HE2 TYR 152 HE1 TYR 152 -14.194 16.927 30.847 1210 HH TYR 152 HH TYR 152 -12.374 18.968 29.133 1211 H ARG 153 H ARG 153 -16.820 20.774 32.458 1212 HA ARG 153 HA ARG 153 -17.760 23.468 31.719 1213 HB2 ARG 153 HB2 ARG 153 -17.853 23.431 34.069 1214 HB3 ARG 153 HB3 ARG 153 -16.362 22.508 34.201 1215 HG2 ARG 153 HG2 ARG 153 -16.209 25.200 32.969 1216 HG3 ARG 153 HG3 ARG 153 -16.470 25.100 34.711 1217 HD2 ARG 153 HD2 ARG 153 -14.453 23.245 34.133 1218 HD3 ARG 153 HD3 ARG 153 -14.061 24.684 33.194 1219 HE ARG 153 HE ARG 153 -13.517 25.744 35.140 1220 HH11 ARG 153 HH11 ARG 153 -15.507 22.986 35.886 1221 HH12 ARG 153 HH12 ARG 153 -15.324 23.154 37.601 1222 HH21 ARG 153 HH21 ARG 153 -13.270 25.976 37.396 1223 HH22 ARG 153 HH22 ARG 153 -14.053 24.856 38.458 1224 HA PRO 154 HA PRO 154 -14.069 23.630 29.285 1225 HB2 PRO 154 HB2 PRO 154 -14.135 26.288 28.739 1226 HB3 PRO 154 HB3 PRO 154 -15.206 25.120 27.956 1227 HG2 PRO 154 HG2 PRO 154 -15.760 26.951 30.258 1228 HG3 PRO 154 HG3 PRO 154 -16.782 26.572 28.860 1229 HD2 PRO 154 HD2 PRO 154 -17.156 25.434 31.288 1230 HD3 PRO 154 HD3 PRO 154 -17.508 24.583 29.770 1231 H LYS 155 H LYS 155 -12.157 23.438 30.272 1232 HA LYS 155 HA LYS 155 -11.423 25.177 32.471 1233 HB2 LYS 155 HB2 LYS 155 -9.432 23.757 32.649 1234 HB3 LYS 155 HB3 LYS 155 -10.902 22.793 32.608 1235 HG2 LYS 155 HG2 LYS 155 -9.914 23.150 29.946 1236 HG3 LYS 155 HG3 LYS 155 -8.627 22.541 30.989 1237 HD2 LYS 155 HD2 LYS 155 -11.384 21.331 30.826 1238 HD3 LYS 155 HD3 LYS 155 -10.000 20.764 29.889 1239 HE2 LYS 155 HE2 LYS 155 -8.787 20.336 31.990 1240 HE3 LYS 155 HE3 LYS 155 -10.209 20.850 32.898 1241 HZ1 LYS 155 HZ1 LYS 155 -10.260 18.614 30.953 1242 HZ2 LYS 155 HZ2 LYS 155 -11.437 19.016 32.099 1243 HZ3 LYS 155 HZ3 LYS 155 -9.947 18.393 32.601 1244 H GLN 156 H GLN 156 -11.493 25.748 29.344 1245 HA GLN 156 HA GLN 156 -10.440 27.193 27.939 1246 HB2 GLN 156 HB2 GLN 156 -10.494 28.648 29.967 1247 HB3 GLN 156 HB3 GLN 156 -8.892 28.056 30.386 1248 HG2 GLN 156 HG2 GLN 156 -9.088 29.095 27.665 1249 HG3 GLN 156 HG3 GLN 156 -9.425 30.290 28.917 1250 HE21 GLN 156 HE21 GLN 156 -7.120 29.701 27.002 1251 HE22 GLN 156 HE22 GLN 156 -5.722 29.787 28.013 1252 H ARG 157 H ARG 157 -9.520 25.098 27.136 1253 HA ARG 157 HA ARG 157 -6.655 24.808 27.669 1254 HB2 ARG 157 HB2 ARG 157 -8.780 22.987 27.041 1255 HB3 ARG 157 HB3 ARG 157 -7.533 22.866 25.807 1256 HG2 ARG 157 HG2 ARG 157 -6.001 22.002 27.238 1257 HG3 ARG 157 HG3 ARG 157 -6.642 22.880 28.629 1258 HD2 ARG 157 HD2 ARG 157 -8.163 21.265 29.120 1259 HD3 ARG 157 HD3 ARG 157 -8.389 20.815 27.430 1260 HE ARG 157 HE ARG 157 -6.778 19.216 27.687 1261 HH11 ARG 157 HH11 ARG 157 -6.515 21.511 30.292 1262 HH12 ARG 157 HH12 ARG 157 -5.318 20.597 31.150 1263 HH21 ARG 157 HH21 ARG 157 -5.202 18.004 28.807 1264 HH22 ARG 157 HH22 ARG 157 -4.571 18.603 30.303 1265 H LEU 158 H LEU 158 -8.823 24.832 24.833 1266 HA LEU 158 HA LEU 158 -6.663 25.397 23.033 1267 HB2 LEU 158 HB2 LEU 158 -9.488 24.749 22.858 1268 HB3 LEU 158 HB3 LEU 158 -9.016 25.991 21.700 1269 HG LEU 158 HG LEU 158 -8.976 23.608 20.867 1270 HD11 LEU 158 HD11 LEU 158 -6.467 24.004 20.026 1271 HD12 LEU 158 HD12 LEU 158 -6.818 25.614 20.655 1272 HD13 LEU 158 HD13 LEU 158 -7.847 24.911 19.407 1273 HD21 LEU 158 HD21 LEU 158 -8.021 22.601 22.894 1274 HD22 LEU 158 HD22 LEU 158 -6.512 23.466 22.603 1275 HD23 LEU 158 HD23 LEU 158 -7.061 22.240 21.460 1276 H ARG 159 H ARG 159 -9.102 27.256 24.715 1277 HA ARG 159 HA ARG 159 -7.720 29.676 24.508 1278 HB2 ARG 159 HB2 ARG 159 -9.315 29.034 22.194 1279 HB3 ARG 159 HB3 ARG 159 -9.954 30.465 22.990 1280 HG2 ARG 159 HG2 ARG 159 -7.051 30.163 22.282 1281 HG3 ARG 159 HG3 ARG 159 -8.243 30.855 21.180 1282 HD2 ARG 159 HD2 ARG 159 -8.798 32.547 22.881 1283 HD3 ARG 159 HD3 ARG 159 -7.558 31.870 23.936 1284 HE ARG 159 HE ARG 159 -7.155 33.578 21.657 1285 HH11 ARG 159 HH11 ARG 159 -5.718 31.198 23.752 1286 HH12 ARG 159 HH12 ARG 159 -4.093 31.705 23.429 1287 HH21 ARG 159 HH21 ARG 159 -5.020 34.255 21.224 1288 HH22 ARG 159 HH22 ARG 159 -3.697 33.445 21.992 1289 H PHE 160 H PHE 160 -9.213 31.589 25.092 1290 HA PHE 160 HA PHE 160 -10.633 30.871 27.443 1291 HB2 PHE 160 HB2 PHE 160 -9.385 33.032 27.066 1292 HB3 PHE 160 HB3 PHE 160 -10.714 33.539 26.029 1293 HD1 PHE 160 HD1 PHE 160 -9.745 32.707 29.478 1294 HD2 PHE 160 HD2 PHE 160 -12.782 34.278 26.942 1295 HE1 PHE 160 HE1 PHE 160 -10.955 33.543 31.450 1296 HE2 PHE 160 HE2 PHE 160 -13.996 35.117 28.911 1297 HZ PHE 160 HZ PHE 160 -13.083 34.751 31.168 1298 H LYS 161 H LYS 161 -12.702 30.359 27.714 1299 HA LYS 161 HA LYS 161 -14.550 30.808 25.466 1300 HB2 LYS 161 HB2 LYS 161 -14.017 28.425 26.209 1301 HB3 LYS 161 HB3 LYS 161 -14.913 28.791 27.677 1302 HG2 LYS 161 HG2 LYS 161 -16.304 29.403 25.158 1303 HG3 LYS 161 HG3 LYS 161 -16.003 27.693 25.476 1304 HD2 LYS 161 HD2 LYS 161 -16.899 28.714 27.904 1305 HD3 LYS 161 HD3 LYS 161 -17.918 29.491 26.691 1306 HE2 LYS 161 HE2 LYS 161 -18.660 27.414 25.847 1307 HE3 LYS 161 HE3 LYS 161 -17.406 26.528 26.713 1308 HZ1 LYS 161 HZ1 LYS 161 -19.138 26.158 28.100 1309 HZ2 LYS 161 HZ2 LYS 161 -19.944 27.587 27.688 1310 HZ3 LYS 161 HZ3 LYS 161 -18.634 27.634 28.757 1311 H ASP 162 H ASP 162 -16.785 31.281 25.995 1312 HA ASP 162 HA ASP 162 -18.340 32.636 26.964 1313 HB2 ASP 162 HB2 ASP 162 -18.128 30.624 28.581 1314 HB3 ASP 162 HB3 ASP 162 -17.284 31.754 29.637 Start of MODEL 3 1 H1 MET 1 H MET 1 -2.140 -4.526 -1.404 2 HA MET 1 HA MET 1 -2.004 -2.642 0.410 3 HB2 MET 1 HB2 MET 1 -0.836 -4.427 1.856 4 HB3 MET 1 HB3 MET 1 0.592 -4.085 0.888 5 HG2 MET 1 HG2 MET 1 0.449 -1.721 1.562 6 HG3 MET 1 HG3 MET 1 -0.927 -2.121 2.587 7 HE1 MET 1 HE1 MET 1 3.052 -2.316 2.256 8 HE2 MET 1 HE2 MET 1 3.328 -3.767 3.220 9 HE3 MET 1 HE3 MET 1 2.398 -3.865 1.723 10 H ALA 2 H ALA 2 -2.012 -2.462 -2.181 11 HA ALA 2 HA ALA 2 0.099 -0.702 -2.813 12 HB1 ALA 2 HB1 ALA 2 0.282 -3.468 -3.975 13 HB2 ALA 2 HB2 ALA 2 1.035 -2.066 -4.736 14 HB3 ALA 2 HB3 ALA 2 1.521 -2.556 -3.113 15 H ARG 3 H ARG 3 -0.904 0.758 -4.017 16 HA ARG 3 HA ARG 3 -2.088 0.271 -6.489 17 HB2 ARG 3 HB2 ARG 3 -4.493 0.810 -5.834 18 HB3 ARG 3 HB3 ARG 3 -3.920 -0.814 -5.481 19 HG2 ARG 3 HG2 ARG 3 -3.496 -0.110 -3.146 20 HG3 ARG 3 HG3 ARG 3 -4.206 1.459 -3.530 21 HD2 ARG 3 HD2 ARG 3 -6.243 0.648 -3.181 22 HD3 ARG 3 HD3 ARG 3 -5.980 -0.590 -4.409 23 HE ARG 3 HE ARG 3 -4.809 -1.196 -1.848 24 HH11 ARG 3 HH11 ARG 3 -7.655 -1.419 -3.840 25 HH12 ARG 3 HH12 ARG 3 -8.304 -2.780 -2.988 26 HH21 ARG 3 HH21 ARG 3 -5.654 -2.988 -0.717 27 HH22 ARG 3 HH22 ARG 3 -7.166 -3.671 -1.211 28 H MET 4 H MET 4 -2.536 2.164 -7.570 29 HA MET 4 HA MET 4 -2.216 4.641 -6.006 30 HB2 MET 4 HB2 MET 4 -0.888 3.691 -8.446 31 HB3 MET 4 HB3 MET 4 -1.496 5.337 -8.558 32 HG2 MET 4 HG2 MET 4 0.830 5.257 -7.817 33 HG3 MET 4 HG3 MET 4 -0.229 5.981 -6.609 34 HE1 MET 4 HE1 MET 4 1.784 2.372 -7.322 35 HE2 MET 4 HE2 MET 4 2.495 3.986 -7.354 36 HE3 MET 4 HE3 MET 4 2.798 2.916 -5.985 37 H ASN 5 H ASN 5 -3.356 6.506 -6.755 38 HA ASN 5 HA ASN 5 -5.171 6.497 -8.901 39 HB2 ASN 5 HB2 ASN 5 -7.256 6.068 -7.923 40 HB3 ASN 5 HB3 ASN 5 -6.224 4.814 -7.242 41 HD21 ASN 5 HD21 ASN 5 -8.466 7.139 -6.550 42 HD22 ASN 5 HD22 ASN 5 -8.181 7.306 -4.854 43 H ARG 6 H ARG 6 -7.132 8.188 -8.083 44 HA ARG 6 HA ARG 6 -5.614 10.505 -7.080 45 HB2 ARG 6 HB2 ARG 6 -8.063 10.612 -8.839 46 HB3 ARG 6 HB3 ARG 6 -6.955 11.923 -8.458 47 HG2 ARG 6 HG2 ARG 6 -5.823 11.455 -10.297 48 HG3 ARG 6 HG3 ARG 6 -5.407 9.881 -9.615 49 HD2 ARG 6 HD2 ARG 6 -8.109 10.103 -10.769 50 HD3 ARG 6 HD3 ARG 6 -6.777 10.221 -11.918 51 HE ARG 6 HE ARG 6 -7.606 7.884 -10.450 52 HH11 ARG 6 HH11 ARG 6 -5.018 9.433 -12.188 53 HH12 ARG 6 HH12 ARG 6 -4.209 7.948 -12.567 54 HH21 ARG 6 HH21 ARG 6 -6.550 5.923 -10.942 55 HH22 ARG 6 HH22 ARG 6 -5.082 5.952 -11.859 56 HA PRO 7 HA PRO 7 -8.941 9.592 -3.973 57 HB2 PRO 7 HB2 PRO 7 -7.344 9.964 -1.809 58 HB3 PRO 7 HB3 PRO 7 -7.479 8.415 -2.649 59 HG2 PRO 7 HG2 PRO 7 -5.364 10.520 -2.886 60 HG3 PRO 7 HG3 PRO 7 -5.184 8.758 -2.797 61 HD2 PRO 7 HD2 PRO 7 -5.046 10.121 -5.133 62 HD3 PRO 7 HD3 PRO 7 -5.686 8.469 -5.028 63 H ALA 8 H ALA 8 -10.229 11.170 -3.242 64 HA ALA 8 HA ALA 8 -9.060 13.841 -2.807 65 HB1 ALA 8 HB1 ALA 8 -10.583 13.419 -4.887 66 HB2 ALA 8 HB2 ALA 8 -11.888 13.537 -3.707 67 HB3 ALA 8 HB3 ALA 8 -10.775 14.887 -3.928 68 HA PRO 9 HA PRO 9 -10.931 12.657 1.187 69 HB2 PRO 9 HB2 PRO 9 -9.259 14.207 2.661 70 HB3 PRO 9 HB3 PRO 9 -8.824 12.587 2.101 71 HG2 PRO 9 HG2 PRO 9 -8.092 15.250 0.946 72 HG3 PRO 9 HG3 PRO 9 -7.077 13.816 1.183 73 HD2 PRO 9 HD2 PRO 9 -8.147 14.463 -1.219 74 HD3 PRO 9 HD3 PRO 9 -7.876 12.782 -0.716 75 H VAL 10 H VAL 10 -11.105 14.494 3.166 76 HA VAL 10 HA VAL 10 -12.452 16.812 1.943 77 HB VAL 10 HB VAL 10 -13.466 14.977 4.094 78 HG11 VAL 10 HG11 VAL 10 -14.250 17.843 3.612 79 HG12 VAL 10 HG12 VAL 10 -15.265 16.690 4.480 80 HG13 VAL 10 HG13 VAL 10 -13.674 17.116 5.111 81 HG21 VAL 10 HG21 VAL 10 -14.392 14.298 2.110 82 HG22 VAL 10 HG22 VAL 10 -15.591 15.484 2.627 83 HG23 VAL 10 HG23 VAL 10 -14.380 15.921 1.421 84 H GLU 11 H GLU 11 -11.367 18.574 2.513 85 HA GLU 11 HA GLU 11 -9.956 18.652 5.068 86 HB2 GLU 11 HB2 GLU 11 -8.544 19.399 3.370 87 HB3 GLU 11 HB3 GLU 11 -9.830 20.275 2.551 88 HG2 GLU 11 HG2 GLU 11 -9.786 22.019 4.150 89 HG3 GLU 11 HG3 GLU 11 -8.750 21.090 5.231 90 H VAL 12 H VAL 12 -10.783 19.626 6.788 91 HA VAL 12 HA VAL 12 -12.984 21.546 6.393 92 HB VAL 12 HB VAL 12 -13.837 19.699 7.602 93 HG11 VAL 12 HG11 VAL 12 -12.783 18.757 9.583 94 HG12 VAL 12 HG12 VAL 12 -11.686 18.683 8.202 95 HG13 VAL 12 HG13 VAL 12 -11.459 19.914 9.445 96 HG21 VAL 12 HG21 VAL 12 -13.105 21.700 9.729 97 HG22 VAL 12 HG22 VAL 12 -14.332 21.996 8.497 98 HG23 VAL 12 HG23 VAL 12 -14.542 20.680 9.653 99 H SER 13 H SER 13 -12.191 23.550 6.517 100 HA SER 13 HA SER 13 -10.022 24.157 8.369 101 HB2 SER 13 HB2 SER 13 -9.529 25.941 7.035 102 HB3 SER 13 HB3 SER 13 -10.436 25.008 5.845 103 HG SER 13 HG SER 13 -12.314 26.218 6.580 104 H TYR 14 H TYR 14 -10.331 25.064 10.290 105 HA TYR 14 HA TYR 14 -13.007 26.083 10.936 106 HB2 TYR 14 HB2 TYR 14 -11.404 24.283 12.277 107 HB3 TYR 14 HB3 TYR 14 -11.132 25.780 13.163 108 HD1 TYR 14 HD2 TYR 14 -14.140 24.223 11.570 109 HD2 TYR 14 HD1 TYR 14 -12.384 25.836 15.094 110 HE1 TYR 14 HE2 TYR 14 -16.260 23.891 12.771 111 HE2 TYR 14 HE1 TYR 14 -14.500 25.508 16.305 112 HH TYR 14 HH TYR 14 -17.197 23.796 14.861 113 H LYS 15 H LYS 15 -12.390 27.578 13.180 114 HA LYS 15 HA LYS 15 -11.933 30.101 12.187 115 HB2 LYS 15 HB2 LYS 15 -11.468 30.780 14.523 116 HB3 LYS 15 HB3 LYS 15 -12.891 29.756 14.383 117 HG2 LYS 15 HG2 LYS 15 -11.217 27.835 14.927 118 HG3 LYS 15 HG3 LYS 15 -10.227 29.146 15.573 119 HD2 LYS 15 HD2 LYS 15 -13.082 28.568 16.367 120 HD3 LYS 15 HD3 LYS 15 -11.655 28.092 17.290 121 HE2 LYS 15 HE2 LYS 15 -12.150 30.045 18.355 122 HE3 LYS 15 HE3 LYS 15 -11.108 30.673 17.079 123 HZ1 LYS 15 HZ1 LYS 15 -13.283 31.866 17.453 124 HZ2 LYS 15 HZ2 LYS 15 -14.048 30.516 16.780 125 HZ3 LYS 15 HZ3 LYS 15 -12.950 31.414 15.858 126 H HIS 16 H HIS 16 -9.562 27.996 13.812 127 HA HIS 16 HA HIS 16 -7.438 29.303 12.288 128 HB2 HIS 16 HB2 HIS 16 -7.882 30.079 14.866 129 HB3 HIS 16 HB3 HIS 16 -6.718 28.777 15.096 130 HD1 HIS 16 HD1 HIS 16 -4.694 30.155 15.674 131 HD2 HIS 16 HD2 HIS 16 -6.509 31.371 12.140 132 HE1 HIS 16 HE1 HIS 16 -3.118 31.825 14.648 133 H MET 17 H MET 17 -8.668 26.733 12.027 134 HA MET 17 HA MET 17 -6.283 25.085 12.312 135 HB2 MET 17 HB2 MET 17 -8.767 23.673 13.046 136 HB3 MET 17 HB3 MET 17 -7.142 23.507 13.696 137 HG2 MET 17 HG2 MET 17 -7.463 25.569 14.986 138 HG3 MET 17 HG3 MET 17 -9.106 25.688 14.360 139 HE1 MET 17 HE1 MET 17 -10.573 25.636 16.155 140 HE2 MET 17 HE2 MET 17 -10.603 24.535 17.533 141 HE3 MET 17 HE3 MET 17 -9.359 25.782 17.427 142 H ARG 18 H ARG 18 -6.780 22.834 11.263 143 HA ARG 18 HA ARG 18 -8.760 22.794 9.200 144 HB2 ARG 18 HB2 ARG 18 -6.817 24.338 8.397 145 HB3 ARG 18 HB3 ARG 18 -5.946 22.828 8.162 146 HG2 ARG 18 HG2 ARG 18 -7.397 22.106 6.494 147 HG3 ARG 18 HG3 ARG 18 -8.663 23.238 6.975 148 HD2 ARG 18 HD2 ARG 18 -6.032 23.918 5.668 149 HD3 ARG 18 HD3 ARG 18 -7.627 23.984 4.920 150 HE ARG 18 HE ARG 18 -7.620 25.623 7.198 151 HH11 ARG 18 HH11 ARG 18 -6.246 25.475 4.002 152 HH12 ARG 18 HH12 ARG 18 -6.123 27.195 3.834 153 HH21 ARG 18 HH21 ARG 18 -7.463 27.889 6.988 154 HH22 ARG 18 HH22 ARG 18 -6.814 28.567 5.533 155 H PHE 19 H PHE 19 -9.371 20.745 9.413 156 HA PHE 19 HA PHE 19 -7.309 18.679 9.764 157 HB2 PHE 19 HB2 PHE 19 -10.250 18.708 10.447 158 HB3 PHE 19 HB3 PHE 19 -9.265 17.251 10.507 159 HD1 PHE 19 HD1 PHE 19 -8.352 20.704 11.515 160 HD2 PHE 19 HD2 PHE 19 -9.198 16.726 12.770 161 HE1 PHE 19 HE1 PHE 19 -7.648 21.279 13.802 162 HE2 PHE 19 HE2 PHE 19 -8.497 17.295 15.059 163 HZ PHE 19 HZ PHE 19 -7.722 19.574 15.577 164 H LEU 20 H LEU 20 -8.156 16.460 8.862 165 HA LEU 20 HA LEU 20 -9.402 16.828 6.235 166 HB2 LEU 20 HB2 LEU 20 -6.630 16.256 6.721 167 HB3 LEU 20 HB3 LEU 20 -7.388 14.903 5.883 168 HG LEU 20 HG LEU 20 -6.428 16.316 4.234 169 HD11 LEU 20 HD11 LEU 20 -8.228 15.870 3.017 170 HD12 LEU 20 HD12 LEU 20 -8.894 17.420 3.529 171 HD13 LEU 20 HD13 LEU 20 -9.274 15.956 4.434 172 HD21 LEU 20 HD21 LEU 20 -6.646 18.635 4.107 173 HD22 LEU 20 HD22 LEU 20 -6.414 18.328 5.829 174 HD23 LEU 20 HD23 LEU 20 -8.029 18.660 5.201 175 H ILE 21 H ILE 21 -11.183 15.624 6.460 176 HA ILE 21 HA ILE 21 -11.061 13.081 7.881 177 HB ILE 21 HB ILE 21 -13.617 13.180 7.117 178 HG12 ILE 21 HG12 ILE 21 -12.921 15.418 5.912 179 HG13 ILE 21 HG13 ILE 21 -14.475 15.289 6.729 180 HG21 ILE 21 HG21 ILE 21 -13.014 13.007 9.397 181 HG22 ILE 21 HG22 ILE 21 -12.305 14.621 9.407 182 HG23 ILE 21 HG23 ILE 21 -14.053 14.427 9.271 183 HD11 ILE 21 HD11 ILE 21 -12.981 17.373 7.095 184 HD12 ILE 21 HD12 ILE 21 -13.822 16.646 8.465 185 HD13 ILE 21 HD13 ILE 21 -12.106 16.325 8.212 186 H THR 22 H THR 22 -10.731 11.235 6.849 187 HA THR 22 HA THR 22 -11.011 11.139 3.945 188 HB THR 22 HB THR 22 -10.006 8.750 4.404 189 HG1 THR 22 HG1 THR 22 -9.912 8.576 6.556 190 HG21 THR 22 HG21 THR 22 -8.333 11.234 4.799 191 HG22 THR 22 HG22 THR 22 -8.884 10.628 3.237 192 HG23 THR 22 HG23 THR 22 -7.774 9.667 4.215 193 H HIS 23 H HIS 23 -13.276 11.040 3.764 194 HA HIS 23 HA HIS 23 -14.712 8.872 5.043 195 HB2 HIS 23 HB2 HIS 23 -15.959 10.876 4.891 196 HB3 HIS 23 HB3 HIS 23 -15.525 11.113 3.201 197 HD1 HIS 23 HD1 HIS 23 -16.723 7.759 4.296 198 HD2 HIS 23 HD2 HIS 23 -18.242 11.169 2.473 199 HE1 HIS 23 HE1 HIS 23 -18.970 7.091 3.386 200 H ASN 24 H ASN 24 -13.959 9.864 1.708 201 HA ASN 24 HA ASN 24 -15.119 7.768 0.342 202 HB2 ASN 24 HB2 ASN 24 -12.794 9.559 -0.199 203 HB3 ASN 24 HB3 ASN 24 -13.030 8.166 -1.250 204 HD21 ASN 24 HD21 ASN 24 -14.001 8.740 -3.043 205 HD22 ASN 24 HD22 ASN 24 -15.302 9.867 -3.186 206 HA PRO 25 HA PRO 25 -12.831 4.113 1.151 207 HB2 PRO 25 HB2 PRO 25 -12.721 2.941 -1.296 208 HB3 PRO 25 HB3 PRO 25 -14.206 3.036 -0.342 209 HG2 PRO 25 HG2 PRO 25 -13.304 4.758 -2.618 210 HG3 PRO 25 HG3 PRO 25 -14.911 4.083 -2.294 211 HD2 PRO 25 HD2 PRO 25 -14.269 6.652 -1.727 212 HD3 PRO 25 HD3 PRO 25 -15.428 5.721 -0.757 213 H THR 26 H THR 26 -10.750 4.459 1.723 214 HA THR 26 HA THR 26 -8.696 4.093 -0.226 215 HB THR 26 HB THR 26 -7.979 6.559 1.100 216 HG1 THR 26 HG1 THR 26 -9.545 7.715 -0.456 217 HG21 THR 26 HG21 THR 26 -7.195 5.297 -1.107 218 HG22 THR 26 HG22 THR 26 -7.031 7.043 -0.922 219 HG23 THR 26 HG23 THR 26 -8.382 6.376 -1.838 220 H ASN 27 H ASN 27 -6.486 4.944 1.067 221 HA ASN 27 HA ASN 27 -5.037 4.453 2.750 222 HB2 ASN 27 HB2 ASN 27 -6.907 5.743 4.032 223 HB3 ASN 27 HB3 ASN 27 -7.327 4.156 4.669 224 HD21 ASN 27 HD21 ASN 27 -6.372 6.421 6.131 225 HD22 ASN 27 HD22 ASN 27 -4.881 5.957 6.870 226 H ALA 28 H ALA 28 -6.650 2.351 1.238 227 HA ALA 28 HA ALA 28 -6.688 0.106 3.064 228 HB1 ALA 28 HB1 ALA 28 -7.558 -1.167 1.242 229 HB2 ALA 28 HB2 ALA 28 -8.363 0.402 1.235 230 HB3 ALA 28 HB3 ALA 28 -7.076 0.066 0.078 231 H THR 29 H THR 29 -4.340 1.678 1.292 232 HA THR 29 HA THR 29 -2.640 -0.729 1.280 233 HB THR 29 HB THR 29 -2.908 -0.333 -1.005 234 HG1 THR 29 HG1 THR 29 -0.622 -0.146 -0.097 235 HG21 THR 29 HG21 THR 29 -2.727 1.946 -2.013 236 HG22 THR 29 HG22 THR 29 -2.690 2.612 -0.381 237 HG23 THR 29 HG23 THR 29 -4.116 1.744 -0.946 238 H LEU 30 H LEU 30 -2.983 2.648 1.995 239 HA LEU 30 HA LEU 30 -1.785 4.004 3.387 240 HB2 LEU 30 HB2 LEU 30 -1.323 1.713 4.518 241 HB3 LEU 30 HB3 LEU 30 0.269 1.865 3.778 242 HG LEU 30 HG LEU 30 0.352 4.153 4.984 243 HD11 LEU 30 HD11 LEU 30 -1.675 2.767 6.726 244 HD12 LEU 30 HD12 LEU 30 -2.065 4.075 5.610 245 HD13 LEU 30 HD13 LEU 30 -0.967 4.365 6.959 246 HD21 LEU 30 HD21 LEU 30 0.711 2.593 7.213 247 HD22 LEU 30 HD22 LEU 30 1.909 2.877 5.951 248 HD23 LEU 30 HD23 LEU 30 0.892 1.437 5.894 249 H SER 31 H SER 31 -0.918 2.925 0.491 250 HA SER 31 HA SER 31 1.776 3.979 0.363 251 HB2 SER 31 HB2 SER 31 1.076 2.010 -0.994 252 HB3 SER 31 HB3 SER 31 -0.022 3.058 -1.892 253 HG SER 31 HG SER 31 1.634 3.977 -2.886 254 H THR 32 H THR 32 -1.203 4.713 -1.459 255 HA THR 32 HA THR 32 -0.223 7.324 -2.170 256 HB THR 32 HB THR 32 -2.876 5.962 -2.640 257 HG1 THR 32 HG1 THR 32 -0.642 6.604 -4.285 258 HG21 THR 32 HG21 THR 32 -1.950 8.696 -3.525 259 HG22 THR 32 HG22 THR 32 -3.321 8.328 -2.478 260 HG23 THR 32 HG23 THR 32 -3.357 7.857 -4.177 261 H PHE 33 H PHE 33 -2.271 5.974 0.287 262 HA PHE 33 HA PHE 33 -3.836 8.104 1.048 263 HB2 PHE 33 HB2 PHE 33 -4.324 6.260 2.311 264 HB3 PHE 33 HB3 PHE 33 -2.635 5.792 2.475 265 HD1 PHE 33 HD1 PHE 33 -4.841 8.623 3.507 266 HD2 PHE 33 HD2 PHE 33 -1.761 5.891 4.585 267 HE1 PHE 33 HE1 PHE 33 -4.808 9.564 5.780 268 HE2 PHE 33 HE2 PHE 33 -1.723 6.826 6.861 269 HZ PHE 33 HZ PHE 33 -3.248 8.665 7.461 270 H ILE 34 H ILE 34 -0.496 7.419 2.046 271 HA ILE 34 HA ILE 34 -0.161 9.579 3.782 272 HB ILE 34 HB ILE 34 1.974 8.370 2.024 273 HG12 ILE 34 HG12 ILE 34 1.296 7.535 4.839 274 HG13 ILE 34 HG13 ILE 34 0.561 6.761 3.440 275 HG21 ILE 34 HG21 ILE 34 3.041 9.025 4.496 276 HG22 ILE 34 HG22 ILE 34 3.262 9.909 2.987 277 HG23 ILE 34 HG23 ILE 34 1.984 10.381 4.106 278 HD11 ILE 34 HD11 ILE 34 3.533 6.960 3.747 279 HD12 ILE 34 HD12 ILE 34 2.601 5.650 4.472 280 HD13 ILE 34 HD13 ILE 34 2.596 5.873 2.722 281 H GLU 35 H GLU 35 0.237 9.362 0.282 282 HA GLU 35 HA GLU 35 1.368 11.934 -0.069 283 HB2 GLU 35 HB2 GLU 35 -0.279 10.467 -2.122 284 HB3 GLU 35 HB3 GLU 35 1.028 11.610 -2.397 285 HG2 GLU 35 HG2 GLU 35 2.111 9.523 -0.862 286 HG3 GLU 35 HG3 GLU 35 1.137 8.770 -2.124 287 H ASP 36 H ASP 36 -1.920 10.747 0.117 288 HA ASP 36 HA ASP 36 -3.243 13.009 -0.904 289 HB2 ASP 36 HB2 ASP 36 -4.337 11.212 1.258 290 HB3 ASP 36 HB3 ASP 36 -5.232 12.097 0.026 291 H LEU 37 H LEU 37 -2.461 12.099 2.446 292 HA LEU 37 HA LEU 37 -3.464 14.553 3.528 293 HB2 LEU 37 HB2 LEU 37 -2.512 13.776 5.632 294 HB3 LEU 37 HB3 LEU 37 -3.462 12.517 4.846 295 HG LEU 37 HG LEU 37 -1.139 11.713 3.962 296 HD11 LEU 37 HD11 LEU 37 -0.385 13.880 5.645 297 HD12 LEU 37 HD12 LEU 37 0.642 12.796 4.707 298 HD13 LEU 37 HD13 LEU 37 0.198 12.378 6.362 299 HD21 LEU 37 HD21 LEU 37 -1.280 11.119 6.821 300 HD22 LEU 37 HD22 LEU 37 -1.388 10.041 5.430 301 HD23 LEU 37 HD23 LEU 37 -2.814 10.927 5.972 302 H LYS 38 H LYS 38 -0.464 13.500 2.199 303 HA LYS 38 HA LYS 38 1.134 15.549 3.446 304 HB2 LYS 38 HB2 LYS 38 1.596 13.383 1.454 305 HB3 LYS 38 HB3 LYS 38 2.719 14.737 1.466 306 HG2 LYS 38 HG2 LYS 38 2.749 14.227 4.058 307 HG3 LYS 38 HG3 LYS 38 2.266 12.624 3.498 308 HD2 LYS 38 HD2 LYS 38 4.627 14.096 2.353 309 HD3 LYS 38 HD3 LYS 38 4.760 13.038 3.760 310 HE2 LYS 38 HE2 LYS 38 4.939 11.294 2.398 311 HE3 LYS 38 HE3 LYS 38 3.313 11.619 1.798 312 HZ1 LYS 38 HZ1 LYS 38 5.500 13.212 0.696 313 HZ2 LYS 38 HZ2 LYS 38 4.097 12.637 -0.054 314 HZ3 LYS 38 HZ3 LYS 38 5.401 11.593 0.214 315 H LYS 39 H LYS 39 -0.468 15.051 0.350 316 HA LYS 39 HA LYS 39 0.632 17.375 -0.894 317 HB2 LYS 39 HB2 LYS 39 -0.928 16.946 -2.680 318 HB3 LYS 39 HB3 LYS 39 -0.243 15.415 -2.152 319 HG2 LYS 39 HG2 LYS 39 -2.264 14.955 -0.858 320 HG3 LYS 39 HG3 LYS 39 -2.952 16.490 -1.392 321 HD2 LYS 39 HD2 LYS 39 -3.833 14.680 -2.738 322 HD3 LYS 39 HD3 LYS 39 -2.802 15.714 -3.728 323 HE2 LYS 39 HE2 LYS 39 -0.993 14.135 -3.582 324 HE3 LYS 39 HE3 LYS 39 -1.895 13.146 -2.435 325 HZ1 LYS 39 HZ1 LYS 39 -3.373 12.457 -4.081 326 HZ2 LYS 39 HZ2 LYS 39 -1.866 12.405 -4.848 327 HZ3 LYS 39 HZ3 LYS 39 -2.926 13.689 -5.151 328 H TYR 40 H TYR 40 -2.336 16.658 0.866 329 HA TYR 40 HA TYR 40 -3.641 19.111 0.337 330 HB2 TYR 40 HB2 TYR 40 -4.018 16.834 2.185 331 HB3 TYR 40 HB3 TYR 40 -4.709 18.364 2.713 332 HD1 TYR 40 HD2 TYR 40 -4.558 16.220 -0.346 333 HD2 TYR 40 HD1 TYR 40 -6.871 18.851 2.069 334 HE1 TYR 40 HE2 TYR 40 -6.503 15.838 -1.802 335 HE2 TYR 40 HE1 TYR 40 -8.822 18.474 0.620 336 HH TYR 40 HH TYR 40 -9.429 17.701 -1.488 337 H GLY 41 H GLY 41 -0.944 18.378 2.233 338 HA2 GLY 41 HA2 GLY 41 0.408 19.955 3.320 339 HA3 GLY 41 HA3 GLY 41 -0.945 21.077 3.327 340 H ALA 42 H ALA 42 -1.217 17.777 4.454 341 HA ALA 42 HA ALA 42 -1.718 18.816 7.158 342 HB1 ALA 42 HB1 ALA 42 -2.573 16.211 5.899 343 HB2 ALA 42 HB2 ALA 42 -2.954 16.731 7.541 344 HB3 ALA 42 HB3 ALA 42 -3.589 17.629 6.163 345 H THR 43 H THR 43 -0.228 18.488 8.660 346 HA THR 43 HA THR 43 1.897 16.548 8.183 347 HB THR 43 HB THR 43 3.069 17.610 10.038 348 HG1 THR 43 HG1 THR 43 1.317 18.163 11.363 349 HG21 THR 43 HG21 THR 43 2.835 18.656 7.634 350 HG22 THR 43 HG22 THR 43 3.661 19.534 8.922 351 HG23 THR 43 HG23 THR 43 1.994 19.935 8.509 352 H THR 44 H THR 44 -0.869 15.783 9.000 353 HA THR 44 HA THR 44 -0.098 14.164 11.325 354 HB THR 44 HB THR 44 -2.850 14.582 11.618 355 HG1 THR 44 HG1 THR 44 -1.516 16.866 10.708 356 HG21 THR 44 HG21 THR 44 -0.718 16.037 13.165 357 HG22 THR 44 HG22 THR 44 -0.986 14.302 13.332 358 HG23 THR 44 HG23 THR 44 -2.272 15.437 13.741 359 H VAL 45 H VAL 45 -0.869 12.087 11.335 360 HA VAL 45 HA VAL 45 -1.969 11.130 8.822 361 HB VAL 45 HB VAL 45 -1.312 9.400 11.191 362 HG11 VAL 45 HG11 VAL 45 -0.700 7.819 9.320 363 HG12 VAL 45 HG12 VAL 45 -2.413 8.221 9.455 364 HG13 VAL 45 HG13 VAL 45 -1.423 8.985 8.212 365 HG21 VAL 45 HG21 VAL 45 0.613 10.500 9.146 366 HG22 VAL 45 HG22 VAL 45 0.629 10.800 10.884 367 HG23 VAL 45 HG23 VAL 45 0.975 9.185 10.264 368 H VAL 46 H VAL 46 -3.905 10.047 8.580 369 HA VAL 46 HA VAL 46 -5.985 10.770 10.418 370 HB VAL 46 HB VAL 46 -7.516 9.927 8.858 371 HG11 VAL 46 HG11 VAL 46 -5.067 11.013 7.508 372 HG12 VAL 46 HG12 VAL 46 -6.529 10.631 6.595 373 HG13 VAL 46 HG13 VAL 46 -6.582 11.834 7.885 374 HG21 VAL 46 HG21 VAL 46 -7.127 7.795 8.260 375 HG22 VAL 46 HG22 VAL 46 -6.313 8.518 6.872 376 HG23 VAL 46 HG23 VAL 46 -5.376 8.002 8.274 377 H ARG 47 H ARG 47 -4.136 9.194 11.751 378 HA ARG 47 HA ARG 47 -4.886 6.452 11.833 379 HB2 ARG 47 HB2 ARG 47 -3.630 7.814 14.180 380 HB3 ARG 47 HB3 ARG 47 -3.314 6.216 13.516 381 HG2 ARG 47 HG2 ARG 47 -2.530 7.821 11.464 382 HG3 ARG 47 HG3 ARG 47 -2.104 8.798 12.871 383 HD2 ARG 47 HD2 ARG 47 -0.329 7.522 13.259 384 HD3 ARG 47 HD3 ARG 47 -1.349 6.087 13.350 385 HE ARG 47 HE ARG 47 0.376 6.788 11.227 386 HH11 ARG 47 HH11 ARG 47 -2.765 5.422 11.852 387 HH12 ARG 47 HH12 ARG 47 -2.790 4.483 10.395 388 HH21 ARG 47 HH21 ARG 47 0.354 5.557 9.307 389 HH22 ARG 47 HH22 ARG 47 -1.015 4.560 8.949 390 H VAL 48 H VAL 48 -6.687 9.022 12.589 391 HA VAL 48 HA VAL 48 -7.730 8.337 15.151 392 HB VAL 48 HB VAL 48 -9.130 9.954 13.024 393 HG11 VAL 48 HG11 VAL 48 -10.649 10.434 14.581 394 HG12 VAL 48 HG12 VAL 48 -9.946 9.135 15.545 395 HG13 VAL 48 HG13 VAL 48 -9.409 10.799 15.780 396 HG21 VAL 48 HG21 VAL 48 -6.770 10.580 14.686 397 HG22 VAL 48 HG22 VAL 48 -7.257 11.223 13.118 398 HG23 VAL 48 HG23 VAL 48 -8.015 11.825 14.592 399 H CYS 49 H CYS 49 -8.005 6.007 14.677 400 HA CYS 49 HA CYS 49 -10.688 5.315 14.397 401 HB2 CYS 49 HB2 CYS 49 -10.769 4.229 12.234 402 HB3 CYS 49 HB3 CYS 49 -10.310 5.913 12.015 403 HG CYS 49 HG CYS 49 -8.624 3.131 11.268 404 H GLU 50 H GLU 50 -10.483 2.735 13.329 405 HA GLU 50 HA GLU 50 -9.324 1.358 15.530 406 HB2 GLU 50 HB2 GLU 50 -11.316 0.523 14.364 407 HB3 GLU 50 HB3 GLU 50 -10.367 0.282 12.904 408 HG2 GLU 50 HG2 GLU 50 -10.325 -1.832 13.706 409 HG3 GLU 50 HG3 GLU 50 -8.907 -1.199 14.538 410 H VAL 51 H VAL 51 -7.140 2.347 15.194 411 HA VAL 51 HA VAL 51 -5.536 1.359 13.020 412 HB VAL 51 HB VAL 51 -4.842 2.901 15.517 413 HG11 VAL 51 HG11 VAL 51 -2.622 3.215 14.182 414 HG12 VAL 51 HG12 VAL 51 -2.852 1.784 15.189 415 HG13 VAL 51 HG13 VAL 51 -3.076 1.681 13.442 416 HG21 VAL 51 HG21 VAL 51 -6.100 4.008 13.630 417 HG22 VAL 51 HG22 VAL 51 -4.571 4.765 14.076 418 HG23 VAL 51 HG23 VAL 51 -4.666 3.753 12.635 419 H THR 52 H THR 52 -4.149 -0.327 13.002 420 HA THR 52 HA THR 52 -3.482 -1.704 15.479 421 HB THR 52 HB THR 52 -4.273 -3.849 14.826 422 HG1 THR 52 HG1 THR 52 -5.283 -2.767 12.401 423 HG21 THR 52 HG21 THR 52 -5.993 -2.453 15.821 424 HG22 THR 52 HG22 THR 52 -6.708 -3.494 14.589 425 HG23 THR 52 HG23 THR 52 -6.406 -1.792 14.240 426 H TYR 53 H TYR 53 -1.957 -0.183 13.573 427 HA TYR 53 HA TYR 53 0.081 -2.162 12.994 428 HB2 TYR 53 HB2 TYR 53 0.325 -1.571 10.655 429 HB3 TYR 53 HB3 TYR 53 -1.321 -2.124 10.946 430 HD1 TYR 53 HD2 TYR 53 -3.195 -0.580 10.818 431 HD2 TYR 53 HD1 TYR 53 0.784 0.752 10.111 432 HE1 TYR 53 HE2 TYR 53 -4.071 1.493 9.826 433 HE2 TYR 53 HE1 TYR 53 -0.082 2.829 9.118 434 HH TYR 53 HH TYR 53 -3.566 3.369 8.734 435 H ASP 54 H ASP 54 2.074 -1.356 13.285 436 HA ASP 54 HA ASP 54 2.490 1.132 14.465 437 HB2 ASP 54 HB2 ASP 54 4.271 -0.936 13.256 438 HB3 ASP 54 HB3 ASP 54 4.959 0.641 13.633 439 H LYS 55 H LYS 55 4.014 2.835 13.603 440 HA LYS 55 HA LYS 55 3.194 3.532 10.866 441 HB2 LYS 55 HB2 LYS 55 4.210 5.841 11.898 442 HB3 LYS 55 HB3 LYS 55 2.510 5.395 11.934 443 HG2 LYS 55 HG2 LYS 55 3.071 6.096 14.114 444 HG3 LYS 55 HG3 LYS 55 2.947 4.337 14.174 445 HD2 LYS 55 HD2 LYS 55 5.269 4.063 14.294 446 HD3 LYS 55 HD3 LYS 55 5.581 5.703 13.718 447 HE2 LYS 55 HE2 LYS 55 5.061 6.656 15.767 448 HE3 LYS 55 HE3 LYS 55 4.117 5.262 16.289 449 HZ1 LYS 55 HZ1 LYS 55 6.904 4.700 15.789 450 HZ2 LYS 55 HZ2 LYS 55 5.923 4.242 17.089 451 HZ3 LYS 55 HZ3 LYS 55 6.635 5.777 17.066 452 H THR 56 H THR 56 4.733 2.860 9.496 453 HA THR 56 HA THR 56 7.550 3.198 10.213 454 HB THR 56 HB THR 56 7.888 1.311 9.083 455 HG1 THR 56 HG1 THR 56 7.985 1.482 6.952 456 HG21 THR 56 HG21 THR 56 6.014 -0.013 8.276 457 HG22 THR 56 HG22 THR 56 4.974 1.412 8.294 458 HG23 THR 56 HG23 THR 56 5.597 0.756 9.807 459 HA PRO 57 HA PRO 57 7.290 5.536 5.991 460 HB2 PRO 57 HB2 PRO 57 4.818 5.956 4.951 461 HB3 PRO 57 HB3 PRO 57 5.780 4.519 4.589 462 HG2 PRO 57 HG2 PRO 57 3.539 4.854 6.544 463 HG3 PRO 57 HG3 PRO 57 3.854 3.517 5.423 464 HD2 PRO 57 HD2 PRO 57 4.475 3.388 8.055 465 HD3 PRO 57 HD3 PRO 57 5.430 2.561 6.807 466 H LEU 58 H LEU 58 4.023 6.333 7.142 467 HA LEU 58 HA LEU 58 4.256 9.065 7.083 468 HB2 LEU 58 HB2 LEU 58 2.381 9.171 8.566 469 HB3 LEU 58 HB3 LEU 58 2.167 7.804 7.474 470 HG LEU 58 HG LEU 58 1.420 7.144 9.638 471 HD11 LEU 58 HD11 LEU 58 2.888 5.584 8.254 472 HD12 LEU 58 HD12 LEU 58 2.662 5.186 9.957 473 HD13 LEU 58 HD13 LEU 58 4.162 5.944 9.420 474 HD21 LEU 58 HD21 LEU 58 4.008 7.446 11.000 475 HD22 LEU 58 HD22 LEU 58 2.369 7.704 11.599 476 HD23 LEU 58 HD23 LEU 58 3.165 8.953 10.640 477 H GLU 59 H GLU 59 5.744 6.888 9.263 478 HA GLU 59 HA GLU 59 6.119 8.707 11.434 479 HB2 GLU 59 HB2 GLU 59 6.235 6.421 12.001 480 HB3 GLU 59 HB3 GLU 59 7.350 6.066 10.689 481 HG2 GLU 59 HG2 GLU 59 8.491 5.998 12.816 482 HG3 GLU 59 HG3 GLU 59 9.101 7.328 11.833 483 H LYS 60 H LYS 60 8.417 7.354 9.062 484 HA LYS 60 HA LYS 60 10.515 9.122 9.712 485 HB2 LYS 60 HB2 LYS 60 10.074 7.702 7.081 486 HB3 LYS 60 HB3 LYS 60 11.601 8.310 7.707 487 HG2 LYS 60 HG2 LYS 60 9.976 6.006 8.751 488 HG3 LYS 60 HG3 LYS 60 11.580 5.956 8.014 489 HD2 LYS 60 HD2 LYS 60 12.490 7.214 9.902 490 HD3 LYS 60 HD3 LYS 60 10.885 7.289 10.633 491 HE2 LYS 60 HE2 LYS 60 11.429 5.406 11.697 492 HE3 LYS 60 HE3 LYS 60 11.249 4.597 10.141 493 HZ1 LYS 60 HZ1 LYS 60 13.816 5.855 10.552 494 HZ2 LYS 60 HZ2 LYS 60 13.447 4.322 9.942 495 HZ3 LYS 60 HZ3 LYS 60 13.490 4.578 11.613 496 H ASP 61 H ASP 61 7.681 9.519 7.827 497 HA ASP 61 HA ASP 61 8.637 11.614 6.134 498 HB2 ASP 61 HB2 ASP 61 6.133 10.200 6.581 499 HB3 ASP 61 HB3 ASP 61 5.878 11.925 6.333 500 H GLY 62 H GLY 62 8.117 11.502 9.400 501 HA2 GLY 62 HA2 GLY 62 8.174 13.173 10.987 502 HA3 GLY 62 HA3 GLY 62 8.350 14.335 9.681 503 H ILE 63 H ILE 63 5.678 12.110 9.727 504 HA ILE 63 HA ILE 63 3.860 14.378 10.082 505 HB ILE 63 HB ILE 63 3.350 11.587 9.052 506 HG12 ILE 63 HG12 ILE 63 2.962 14.105 7.483 507 HG13 ILE 63 HG13 ILE 63 4.591 13.469 7.686 508 HG21 ILE 63 HG21 ILE 63 1.093 12.307 8.564 509 HG22 ILE 63 HG22 ILE 63 1.419 12.488 10.286 510 HG23 ILE 63 HG23 ILE 63 1.429 13.903 9.234 511 HD11 ILE 63 HD11 ILE 63 3.651 11.269 6.811 512 HD12 ILE 63 HD12 ILE 63 2.252 12.215 6.302 513 HD13 ILE 63 HD13 ILE 63 3.852 12.590 5.660 514 H THR 64 H THR 64 2.656 14.634 11.851 515 HA THR 64 HA THR 64 3.054 13.100 14.165 516 HB THR 64 HB THR 64 0.964 15.137 13.427 517 HG1 THR 64 HG1 THR 64 3.129 15.111 15.286 518 HG21 THR 64 HG21 THR 64 0.278 15.105 15.816 519 HG22 THR 64 HG22 THR 64 1.242 13.645 16.038 520 HG23 THR 64 HG23 THR 64 -0.146 13.629 14.952 521 H VAL 65 H VAL 65 2.173 11.265 14.870 522 HA VAL 65 HA VAL 65 0.185 9.927 13.253 523 HB VAL 65 HB VAL 65 1.589 8.294 13.944 524 HG11 VAL 65 HG11 VAL 65 2.699 8.346 16.241 525 HG12 VAL 65 HG12 VAL 65 3.198 9.574 15.077 526 HG13 VAL 65 HG13 VAL 65 2.078 9.990 16.374 527 HG21 VAL 65 HG21 VAL 65 -0.749 8.026 15.065 528 HG22 VAL 65 HG22 VAL 65 0.564 6.931 15.501 529 HG23 VAL 65 HG23 VAL 65 0.149 8.277 16.562 530 H VAL 66 H VAL 66 -1.867 10.555 13.498 531 HA VAL 66 HA VAL 66 -2.862 11.218 16.174 532 HB VAL 66 HB VAL 66 -4.348 11.539 13.571 533 HG11 VAL 66 HG11 VAL 66 -5.512 11.580 15.858 534 HG12 VAL 66 HG12 VAL 66 -4.699 13.129 16.090 535 HG13 VAL 66 HG13 VAL 66 -5.823 12.913 14.747 536 HG21 VAL 66 HG21 VAL 66 -2.480 13.460 14.948 537 HG22 VAL 66 HG22 VAL 66 -2.341 12.809 13.315 538 HG23 VAL 66 HG23 VAL 66 -3.638 13.937 13.706 539 H ASP 67 H ASP 67 -2.973 9.062 16.953 540 HA ASP 67 HA ASP 67 -5.011 7.370 15.676 541 HB2 ASP 67 HB2 ASP 67 -4.032 5.554 17.135 542 HB3 ASP 67 HB3 ASP 67 -2.952 6.183 15.894 543 H TRP 68 H TRP 68 -6.960 7.433 16.553 544 HA TRP 68 HA TRP 68 -7.215 7.534 19.466 545 HB2 TRP 68 HB2 TRP 68 -8.810 9.326 17.623 546 HB3 TRP 68 HB3 TRP 68 -8.931 9.253 19.378 547 HD1 TRP 68 HD1 TRP 68 -7.613 11.469 16.934 548 HE1 TRP 68 HE1 TRP 68 -5.615 12.838 17.805 549 HE3 TRP 68 HE3 TRP 68 -6.450 8.675 21.055 550 HZ2 TRP 68 HZ2 TRP 68 -3.787 12.745 19.954 551 HZ3 TRP 68 HZ3 TRP 68 -4.562 9.384 22.465 552 HH2 TRP 68 HH2 TRP 68 -3.259 11.376 21.924 553 HA PRO 69 HA PRO 69 -10.174 4.357 18.726 554 HB2 PRO 69 HB2 PRO 69 -11.520 4.479 21.081 555 HB3 PRO 69 HB3 PRO 69 -9.897 3.795 20.937 556 HG2 PRO 69 HG2 PRO 69 -10.731 6.515 21.869 557 HG3 PRO 69 HG3 PRO 69 -9.509 5.426 22.549 558 HD2 PRO 69 HD2 PRO 69 -8.868 7.529 20.970 559 HD3 PRO 69 HD3 PRO 69 -7.923 6.026 20.989 560 H PHE 70 H PHE 70 -10.786 7.227 17.929 561 HA PHE 70 HA PHE 70 -13.580 7.576 18.515 562 HB2 PHE 70 HB2 PHE 70 -11.946 8.995 16.408 563 HB3 PHE 70 HB3 PHE 70 -13.453 9.541 17.136 564 HD1 PHE 70 HD2 PHE 70 -12.285 8.415 19.941 565 HD2 PHE 70 HD1 PHE 70 -11.053 11.246 17.011 566 HE1 PHE 70 HE2 PHE 70 -11.012 9.633 21.658 567 HE2 PHE 70 HE1 PHE 70 -9.777 12.468 18.723 568 HZ PHE 70 HZ PHE 70 -9.756 11.662 21.050 569 H ASP 71 H ASP 71 -12.147 5.346 16.718 570 HA ASP 71 HA ASP 71 -13.183 5.399 14.167 571 HB2 ASP 71 HB2 ASP 71 -11.619 3.674 15.127 572 HB3 ASP 71 HB3 ASP 71 -13.019 2.916 15.882 573 H ASP 72 H ASP 72 -14.682 3.650 16.894 574 HA ASP 72 HA ASP 72 -17.299 4.610 16.226 575 HB2 ASP 72 HB2 ASP 72 -16.835 2.764 14.534 576 HB3 ASP 72 HB3 ASP 72 -16.857 1.644 15.893 577 H GLY 73 H GLY 73 -15.368 4.293 18.499 578 HA2 GLY 73 HA2 GLY 73 -17.345 3.376 20.435 579 HA3 GLY 73 HA3 GLY 73 -15.819 2.505 20.415 580 H ALA 74 H ALA 74 -13.993 3.444 21.267 581 HA ALA 74 HA ALA 74 -12.747 4.824 22.581 582 HB1 ALA 74 HB1 ALA 74 -14.356 6.647 20.945 583 HB2 ALA 74 HB2 ALA 74 -13.750 7.349 22.446 584 HB3 ALA 74 HB3 ALA 74 -12.624 6.648 21.283 585 HA PRO 75 HA PRO 75 -14.688 5.251 26.493 586 HB2 PRO 75 HB2 PRO 75 -13.413 7.375 27.604 587 HB3 PRO 75 HB3 PRO 75 -12.638 5.804 27.370 588 HG2 PRO 75 HG2 PRO 75 -12.443 8.280 25.699 589 HG3 PRO 75 HG3 PRO 75 -11.159 7.164 26.200 590 HD2 PRO 75 HD2 PRO 75 -12.276 7.087 23.734 591 HD3 PRO 75 HD3 PRO 75 -11.675 5.633 24.556 592 HA PRO 76 HA PRO 76 -17.877 8.272 26.730 593 HB2 PRO 76 HB2 PRO 76 -17.871 9.096 29.317 594 HB3 PRO 76 HB3 PRO 76 -18.418 7.490 28.821 595 HG2 PRO 76 HG2 PRO 76 -15.778 8.323 29.959 596 HG3 PRO 76 HG3 PRO 76 -16.764 6.901 30.346 597 HD2 PRO 76 HD2 PRO 76 -14.613 6.779 28.707 598 HD3 PRO 76 HD3 PRO 76 -16.033 5.734 28.498 599 HA PRO 77 HA PRO 77 -16.569 12.453 26.343 600 HB2 PRO 77 HB2 PRO 77 -18.545 13.878 27.541 601 HB3 PRO 77 HB3 PRO 77 -18.760 13.049 25.995 602 HG2 PRO 77 HG2 PRO 77 -19.571 12.175 28.741 603 HG3 PRO 77 HG3 PRO 77 -20.478 12.073 27.221 604 HD2 PRO 77 HD2 PRO 77 -19.172 9.952 28.284 605 HD3 PRO 77 HD3 PRO 77 -19.356 10.180 26.533 606 H GLY 78 H GLY 78 -14.723 12.828 27.490 607 HA2 GLY 78 HA2 GLY 78 -14.554 14.581 29.539 608 HA3 GLY 78 HA3 GLY 78 -14.765 13.048 30.373 609 H LYS 79 H LYS 79 -13.294 11.378 28.688 610 HA LYS 79 HA LYS 79 -10.600 12.184 29.437 611 HB2 LYS 79 HB2 LYS 79 -11.786 9.820 29.696 612 HB3 LYS 79 HB3 LYS 79 -11.160 9.595 28.068 613 HG2 LYS 79 HG2 LYS 79 -9.430 10.447 30.371 614 HG3 LYS 79 HG3 LYS 79 -9.710 8.756 29.951 615 HD2 LYS 79 HD2 LYS 79 -8.008 8.931 28.523 616 HD3 LYS 79 HD3 LYS 79 -9.036 9.980 27.543 617 HE2 LYS 79 HE2 LYS 79 -7.378 11.472 27.834 618 HE3 LYS 79 HE3 LYS 79 -8.141 11.735 29.401 619 HZ1 LYS 79 HZ1 LYS 79 -5.559 10.807 28.872 620 HZ2 LYS 79 HZ2 LYS 79 -6.407 9.546 29.614 621 HZ3 LYS 79 HZ3 LYS 79 -6.292 11.051 30.377 622 H VAL 80 H VAL 80 -12.297 11.052 26.519 623 HA VAL 80 HA VAL 80 -10.282 11.163 24.672 624 HB VAL 80 HB VAL 80 -13.204 11.800 24.434 625 HG11 VAL 80 HG11 VAL 80 -11.068 12.295 22.434 626 HG12 VAL 80 HG12 VAL 80 -12.580 11.585 21.864 627 HG13 VAL 80 HG13 VAL 80 -12.594 13.140 22.697 628 HG21 VAL 80 HG21 VAL 80 -12.596 9.741 22.739 629 HG22 VAL 80 HG22 VAL 80 -11.453 9.487 24.059 630 HG23 VAL 80 HG23 VAL 80 -13.184 9.558 24.392 631 H VAL 81 H VAL 81 -12.032 13.843 26.104 632 HA VAL 81 HA VAL 81 -11.461 15.930 24.428 633 HB VAL 81 HB VAL 81 -11.650 17.418 26.281 634 HG11 VAL 81 HG11 VAL 81 -13.309 15.091 27.178 635 HG12 VAL 81 HG12 VAL 81 -13.729 16.804 27.120 636 HG13 VAL 81 HG13 VAL 81 -13.613 15.872 25.627 637 HG21 VAL 81 HG21 VAL 81 -10.052 16.606 27.814 638 HG22 VAL 81 HG22 VAL 81 -11.605 16.485 28.640 639 HG23 VAL 81 HG23 VAL 81 -10.859 15.044 27.950 640 H GLU 82 H GLU 82 -9.329 14.509 26.876 641 HA GLU 82 HA GLU 82 -7.219 16.298 26.753 642 HB2 GLU 82 HB2 GLU 82 -7.551 13.475 27.533 643 HB3 GLU 82 HB3 GLU 82 -5.912 13.934 27.094 644 HG2 GLU 82 HG2 GLU 82 -6.624 15.984 28.728 645 HG3 GLU 82 HG3 GLU 82 -7.501 14.635 29.448 646 H ASP 83 H ASP 83 -7.743 13.385 24.782 647 HA ASP 83 HA ASP 83 -5.417 13.706 23.203 648 HB2 ASP 83 HB2 ASP 83 -7.972 12.252 22.488 649 HB3 ASP 83 HB3 ASP 83 -6.394 12.020 21.741 650 H TRP 84 H TRP 84 -8.679 14.940 22.954 651 HA TRP 84 HA TRP 84 -8.707 15.741 20.286 652 HB2 TRP 84 HB2 TRP 84 -10.403 16.002 22.470 653 HB3 TRP 84 HB3 TRP 84 -10.002 17.665 22.051 654 HD1 TRP 84 HD1 TRP 84 -12.681 15.482 21.436 655 HE1 TRP 84 HE1 TRP 84 -13.795 15.847 19.145 656 HE3 TRP 84 HE3 TRP 84 -8.976 18.162 19.149 657 HZ2 TRP 84 HZ2 TRP 84 -13.184 17.104 16.692 658 HZ3 TRP 84 HZ3 TRP 84 -9.320 18.908 16.830 659 HH2 TRP 84 HH2 TRP 84 -11.380 18.388 15.628 660 H LEU 85 H LEU 85 -8.188 17.951 23.038 661 HA LEU 85 HA LEU 85 -7.152 20.052 21.526 662 HB2 LEU 85 HB2 LEU 85 -6.554 19.375 24.402 663 HB3 LEU 85 HB3 LEU 85 -6.305 20.942 23.634 664 HG LEU 85 HG LEU 85 -8.280 21.442 24.574 665 HD11 LEU 85 HD11 LEU 85 -10.094 21.235 23.114 666 HD12 LEU 85 HD12 LEU 85 -9.543 19.675 22.504 667 HD13 LEU 85 HD13 LEU 85 -8.678 21.148 22.067 668 HD21 LEU 85 HD21 LEU 85 -8.184 18.745 25.306 669 HD22 LEU 85 HD22 LEU 85 -9.771 18.981 24.574 670 HD23 LEU 85 HD23 LEU 85 -9.267 19.988 25.932 671 H SER 86 H SER 86 -5.460 17.477 23.290 672 HA SER 86 HA SER 86 -2.852 18.233 22.980 673 HB2 SER 86 HB2 SER 86 -4.225 15.597 23.124 674 HB3 SER 86 HB3 SER 86 -2.539 15.599 22.609 675 HG SER 86 HG SER 86 -2.023 15.873 24.615 676 H LEU 87 H LEU 87 -4.623 16.152 20.684 677 HA LEU 87 HA LEU 87 -2.700 15.977 18.717 678 HB2 LEU 87 HB2 LEU 87 -4.467 14.605 18.292 679 HB3 LEU 87 HB3 LEU 87 -5.659 15.814 18.765 680 HG LEU 87 HG LEU 87 -5.239 16.980 16.603 681 HD11 LEU 87 HD11 LEU 87 -3.107 16.329 15.933 682 HD12 LEU 87 HD12 LEU 87 -4.173 15.450 14.838 683 HD13 LEU 87 HD13 LEU 87 -3.437 14.619 16.208 684 HD21 LEU 87 HD21 LEU 87 -6.462 14.332 16.950 685 HD22 LEU 87 HD22 LEU 87 -6.143 14.796 15.278 686 HD23 LEU 87 HD23 LEU 87 -7.143 15.825 16.305 687 H VAL 88 H VAL 88 -5.440 18.266 18.689 688 HA VAL 88 HA VAL 88 -4.684 19.790 16.523 689 HB VAL 88 HB VAL 88 -5.899 21.044 18.972 690 HG11 VAL 88 HG11 VAL 88 -6.458 21.482 16.043 691 HG12 VAL 88 HG12 VAL 88 -7.047 22.443 17.401 692 HG13 VAL 88 HG13 VAL 88 -5.331 22.448 16.994 693 HG21 VAL 88 HG21 VAL 88 -8.021 20.197 17.444 694 HG22 VAL 88 HG22 VAL 88 -6.919 18.821 17.386 695 HG23 VAL 88 HG23 VAL 88 -7.466 19.448 18.941 696 H LYS 89 H LYS 89 -4.131 20.767 19.911 697 HA LYS 89 HA LYS 89 -2.438 22.888 19.430 698 HB2 LYS 89 HB2 LYS 89 -2.516 20.948 21.740 699 HB3 LYS 89 HB3 LYS 89 -1.498 22.382 21.733 700 HG2 LYS 89 HG2 LYS 89 -3.450 23.804 21.551 701 HG3 LYS 89 HG3 LYS 89 -4.498 22.386 21.467 702 HD2 LYS 89 HD2 LYS 89 -4.557 23.248 23.707 703 HD3 LYS 89 HD3 LYS 89 -3.673 21.720 23.719 704 HE2 LYS 89 HE2 LYS 89 -2.617 23.507 25.089 705 HE3 LYS 89 HE3 LYS 89 -1.571 22.867 23.822 706 HZ1 LYS 89 HZ1 LYS 89 -3.148 25.372 23.591 707 HZ2 LYS 89 HZ2 LYS 89 -2.025 24.780 22.474 708 HZ3 LYS 89 HZ3 LYS 89 -1.506 25.307 23.995 709 H ALA 90 H ALA 90 -1.820 19.542 19.030 710 HA ALA 90 HA ALA 90 1.069 19.824 19.126 711 HB1 ALA 90 HB1 ALA 90 1.145 17.453 18.690 712 HB2 ALA 90 HB2 ALA 90 -0.035 17.778 19.961 713 HB3 ALA 90 HB3 ALA 90 -0.580 17.432 18.319 714 H LYS 91 H LYS 91 -1.176 18.547 16.661 715 HA LYS 91 HA LYS 91 0.534 18.587 14.506 716 HB2 LYS 91 HB2 LYS 91 -1.632 18.995 13.147 717 HB3 LYS 91 HB3 LYS 91 -1.507 17.535 14.119 718 HG2 LYS 91 HG2 LYS 91 -3.416 18.079 15.092 719 HG3 LYS 91 HG3 LYS 91 -2.616 19.485 15.800 720 HD2 LYS 91 HD2 LYS 91 -3.506 19.735 12.988 721 HD3 LYS 91 HD3 LYS 91 -4.771 19.667 14.217 722 HE2 LYS 91 HE2 LYS 91 -3.065 21.426 15.356 723 HE3 LYS 91 HE3 LYS 91 -2.782 21.766 13.650 724 HZ1 LYS 91 HZ1 LYS 91 -4.800 22.784 15.147 725 HZ2 LYS 91 HZ2 LYS 91 -5.565 21.531 14.307 726 HZ3 LYS 91 HZ3 LYS 91 -4.756 22.748 13.456 727 H PHE 92 H PHE 92 -1.270 21.244 15.919 728 HA PHE 92 HA PHE 92 -0.570 23.079 13.801 729 HB2 PHE 92 HB2 PHE 92 -2.582 23.749 14.668 730 HB3 PHE 92 HB3 PHE 92 -2.187 23.197 16.292 731 HD1 PHE 92 HD1 PHE 92 -1.727 25.917 13.854 732 HD2 PHE 92 HD2 PHE 92 -1.209 24.655 17.886 733 HE1 PHE 92 HE1 PHE 92 -1.219 28.233 14.510 734 HE2 PHE 92 HE2 PHE 92 -0.701 26.970 18.549 735 HZ PHE 92 HZ PHE 92 -0.707 28.763 16.860 736 H CYS 93 H CYS 93 0.738 22.058 16.824 737 HA CYS 93 HA CYS 93 2.478 24.375 17.067 738 HB2 CYS 93 HB2 CYS 93 1.592 23.497 19.128 739 HB3 CYS 93 HB3 CYS 93 2.167 21.879 18.743 740 HG CYS 93 HG CYS 93 4.922 22.845 18.782 741 H GLU 94 H GLU 94 2.521 21.226 15.712 742 HA GLU 94 HA GLU 94 5.435 21.103 15.645 743 HB2 GLU 94 HB2 GLU 94 5.135 18.887 14.675 744 HB3 GLU 94 HB3 GLU 94 4.183 19.049 16.144 745 HG2 GLU 94 HG2 GLU 94 2.410 18.371 15.019 746 HG3 GLU 94 HG3 GLU 94 2.503 19.839 14.047 747 H ALA 95 H ALA 95 2.754 21.952 13.641 748 HA ALA 95 HA ALA 95 4.612 22.430 11.407 749 HB1 ALA 95 HB1 ALA 95 3.319 20.544 10.748 750 HB2 ALA 95 HB2 ALA 95 1.818 21.317 11.260 751 HB3 ALA 95 HB3 ALA 95 2.699 21.939 9.865 752 HA PRO 96 HA PRO 96 3.148 26.571 11.396 753 HB2 PRO 96 HB2 PRO 96 3.423 27.199 8.769 754 HB3 PRO 96 HB3 PRO 96 4.800 27.016 9.863 755 HG2 PRO 96 HG2 PRO 96 3.676 25.065 7.890 756 HG3 PRO 96 HG3 PRO 96 5.370 25.463 8.229 757 HD2 PRO 96 HD2 PRO 96 4.166 23.250 9.221 758 HD3 PRO 96 HD3 PRO 96 5.442 24.117 10.099 759 H GLY 97 H GLY 97 0.933 26.027 11.934 760 HA2 GLY 97 HA2 GLY 97 -1.337 25.928 11.555 761 HA3 GLY 97 HA3 GLY 97 -0.990 27.149 10.338 762 H SER 98 H SER 98 0.340 23.943 10.085 763 HA SER 98 HA SER 98 -0.642 23.542 7.488 764 HB2 SER 98 HB2 SER 98 0.279 21.330 7.635 765 HB3 SER 98 HB3 SER 98 1.357 22.405 8.525 766 HG SER 98 HG SER 98 -0.253 20.351 9.437 767 H CYS 99 H CYS 99 -1.565 20.865 7.555 768 HA CYS 99 HA CYS 99 -4.250 21.256 8.702 769 HB2 CYS 99 HB2 CYS 99 -3.502 19.611 6.277 770 HB3 CYS 99 HB3 CYS 99 -5.128 19.900 6.881 771 HG CYS 99 HG CYS 99 -3.513 22.736 6.252 772 H VAL 100 H VAL 100 -5.421 19.168 9.141 773 HA VAL 100 HA VAL 100 -3.552 17.151 10.206 774 HB VAL 100 HB VAL 100 -4.373 17.476 12.242 775 HG11 VAL 100 HG11 VAL 100 -4.772 19.794 11.503 776 HG12 VAL 100 HG12 VAL 100 -6.418 19.347 11.051 777 HG13 VAL 100 HG13 VAL 100 -5.915 19.274 12.740 778 HG21 VAL 100 HG21 VAL 100 -7.120 16.969 11.105 779 HG22 VAL 100 HG22 VAL 100 -5.976 15.716 11.585 780 HG23 VAL 100 HG23 VAL 100 -6.635 16.817 12.794 781 H ALA 101 H ALA 101 -3.973 15.051 9.777 782 HA ALA 101 HA ALA 101 -6.336 14.484 8.119 783 HB1 ALA 101 HB1 ALA 101 -4.118 12.531 8.246 784 HB2 ALA 101 HB2 ALA 101 -5.107 13.041 6.877 785 HB3 ALA 101 HB3 ALA 101 -3.786 14.065 7.441 786 H VAL 102 H VAL 102 -7.929 13.398 9.051 787 HA VAL 102 HA VAL 102 -7.274 11.393 11.101 788 HB VAL 102 HB VAL 102 -9.200 12.038 12.430 789 HG11 VAL 102 HG11 VAL 102 -8.087 13.642 13.546 790 HG12 VAL 102 HG12 VAL 102 -6.834 13.357 12.337 791 HG13 VAL 102 HG13 VAL 102 -7.971 14.690 12.133 792 HG21 VAL 102 HG21 VAL 102 -10.630 12.864 10.637 793 HG22 VAL 102 HG22 VAL 102 -10.484 14.062 11.923 794 HG23 VAL 102 HG23 VAL 102 -9.575 14.262 10.425 795 H HIS 103 H HIS 103 -8.635 9.600 11.195 796 HA HIS 103 HA HIS 103 -10.110 9.090 8.741 797 HB2 HIS 103 HB2 HIS 103 -8.549 7.381 9.504 798 HB3 HIS 103 HB3 HIS 103 -9.388 7.271 11.048 799 HD1 HIS 103 HD1 HIS 103 -9.231 5.709 7.817 800 HD2 HIS 103 HD2 HIS 103 -12.197 6.342 10.657 801 HE1 HIS 103 HE1 HIS 103 -11.051 4.063 7.267 802 H CYS 104 H CYS 104 -12.277 8.715 8.597 803 HA CYS 104 HA CYS 104 -13.902 8.543 10.992 804 HB2 CYS 104 HB2 CYS 104 -15.141 10.502 10.709 805 HB3 CYS 104 HB3 CYS 104 -13.494 11.026 10.379 806 HG CYS 104 HG CYS 104 -16.126 10.785 8.280 807 H VAL 105 H VAL 105 -16.136 8.002 10.533 808 HA VAL 105 HA VAL 105 -16.341 6.274 8.229 809 HB VAL 105 HB VAL 105 -18.764 6.025 9.262 810 HG11 VAL 105 HG11 VAL 105 -16.880 4.352 9.155 811 HG12 VAL 105 HG12 VAL 105 -16.402 4.912 10.758 812 HG13 VAL 105 HG13 VAL 105 -17.985 4.173 10.518 813 HG21 VAL 105 HG21 VAL 105 -18.072 8.000 10.849 814 HG22 VAL 105 HG22 VAL 105 -19.057 6.665 11.447 815 HG23 VAL 105 HG23 VAL 105 -17.325 6.703 11.782 816 H ALA 106 H ALA 106 -19.214 7.873 9.286 817 HA ALA 106 HA ALA 106 -19.429 9.169 6.652 818 HB1 ALA 106 HB1 ALA 106 -21.570 8.521 6.522 819 HB2 ALA 106 HB2 ALA 106 -21.126 7.360 7.774 820 HB3 ALA 106 HB3 ALA 106 -21.888 8.887 8.218 821 H GLY 107 H GLY 107 -19.681 9.657 10.109 822 HA2 GLY 107 HA2 GLY 107 -18.952 12.031 10.668 823 HA3 GLY 107 HA3 GLY 107 -20.294 12.505 9.637 824 H LEU 108 H LEU 108 -22.311 12.604 10.473 825 HA LEU 108 HA LEU 108 -23.692 13.075 12.287 826 HB2 LEU 108 HB2 LEU 108 -23.313 10.087 12.276 827 HB3 LEU 108 HB3 LEU 108 -24.583 10.912 13.178 828 HG LEU 108 HG LEU 108 -24.270 10.937 10.176 829 HD11 LEU 108 HD11 LEU 108 -24.923 8.742 11.038 830 HD12 LEU 108 HD12 LEU 108 -26.241 9.514 10.157 831 HD13 LEU 108 HD13 LEU 108 -26.257 9.487 11.920 832 HD21 LEU 108 HD21 LEU 108 -26.837 11.694 10.834 833 HD22 LEU 108 HD22 LEU 108 -25.538 12.766 10.311 834 HD23 LEU 108 HD23 LEU 108 -25.845 12.526 12.032 835 H GLY 109 H GLY 109 -24.052 11.500 14.639 836 HA2 GLY 109 HA2 GLY 109 -23.253 12.385 16.785 837 HA3 GLY 109 HA3 GLY 109 -22.557 10.796 16.503 838 H ARG 110 H ARG 110 -20.381 10.594 16.063 839 HA ARG 110 HA ARG 110 -18.542 12.134 17.244 840 HB2 ARG 110 HB2 ARG 110 -16.918 11.400 15.399 841 HB3 ARG 110 HB3 ARG 110 -17.759 10.139 16.291 842 HG2 ARG 110 HG2 ARG 110 -19.462 10.193 14.375 843 HG3 ARG 110 HG3 ARG 110 -18.223 11.086 13.489 844 HD2 ARG 110 HD2 ARG 110 -18.062 8.730 12.971 845 HD3 ARG 110 HD3 ARG 110 -16.644 9.238 13.888 846 HE ARG 110 HE ARG 110 -17.270 7.821 15.572 847 HH11 ARG 110 HH11 ARG 110 -19.969 8.304 13.427 848 HH12 ARG 110 HH12 ARG 110 -20.952 7.093 14.180 849 HH21 ARG 110 HH21 ARG 110 -18.555 6.224 16.573 850 HH22 ARG 110 HH22 ARG 110 -20.147 5.911 15.970 851 H ALA 111 H ALA 111 -19.468 12.573 13.828 852 HA ALA 111 HA ALA 111 -17.984 14.606 12.968 853 HB1 ALA 111 HB1 ALA 111 -19.544 14.204 11.398 854 HB2 ALA 111 HB2 ALA 111 -20.820 13.927 12.585 855 HB3 ALA 111 HB3 ALA 111 -20.369 15.574 12.143 856 HA PRO 112 HA PRO 112 -20.324 18.196 15.078 857 HB2 PRO 112 HB2 PRO 112 -22.604 17.656 16.449 858 HB3 PRO 112 HB3 PRO 112 -22.582 17.976 14.711 859 HG2 PRO 112 HG2 PRO 112 -22.694 15.356 16.153 860 HG3 PRO 112 HG3 PRO 112 -23.602 15.887 14.726 861 HD2 PRO 112 HD2 PRO 112 -21.427 14.283 14.556 862 HD3 PRO 112 HD3 PRO 112 -21.846 15.461 13.295 863 H VAL 113 H VAL 113 -20.621 15.182 16.921 864 HA VAL 113 HA VAL 113 -20.388 16.233 19.495 865 HB VAL 113 HB VAL 113 -19.645 13.558 18.341 866 HG11 VAL 113 HG11 VAL 113 -19.407 12.821 20.750 867 HG12 VAL 113 HG12 VAL 113 -18.077 13.779 20.096 868 HG13 VAL 113 HG13 VAL 113 -19.266 14.529 21.162 869 HG21 VAL 113 HG21 VAL 113 -21.555 12.789 19.627 870 HG22 VAL 113 HG22 VAL 113 -21.775 14.401 20.306 871 HG23 VAL 113 HG23 VAL 113 -22.027 14.129 18.582 872 H LEU 114 H LEU 114 -17.797 14.725 17.553 873 HA LEU 114 HA LEU 114 -15.678 15.361 19.226 874 HB2 LEU 114 HB2 LEU 114 -15.940 14.773 16.322 875 HB3 LEU 114 HB3 LEU 114 -14.401 15.395 16.914 876 HG LEU 114 HG LEU 114 -14.744 12.839 16.691 877 HD11 LEU 114 HD11 LEU 114 -13.739 13.666 19.378 878 HD12 LEU 114 HD12 LEU 114 -12.921 14.227 17.920 879 HD13 LEU 114 HD13 LEU 114 -13.070 12.499 18.238 880 HD21 LEU 114 HD21 LEU 114 -15.767 11.719 18.503 881 HD22 LEU 114 HD22 LEU 114 -16.925 12.936 17.964 882 HD23 LEU 114 HD23 LEU 114 -15.962 13.215 19.416 883 H VAL 115 H VAL 115 -16.683 17.128 16.292 884 HA VAL 115 HA VAL 115 -14.941 19.277 16.536 885 HB VAL 115 HB VAL 115 -16.420 20.519 15.082 886 HG11 VAL 115 HG11 VAL 115 -16.856 18.700 13.330 887 HG12 VAL 115 HG12 VAL 115 -15.194 18.931 13.878 888 HG13 VAL 115 HG13 VAL 115 -16.151 17.587 14.502 889 HG21 VAL 115 HG21 VAL 115 -18.536 20.136 16.158 890 HG22 VAL 115 HG22 VAL 115 -18.651 19.609 14.479 891 HG23 VAL 115 HG23 VAL 115 -18.472 18.418 15.767 892 H ALA 116 H ALA 116 -18.044 18.700 18.077 893 HA ALA 116 HA ALA 116 -18.503 21.283 19.080 894 HB1 ALA 116 HB1 ALA 116 -19.765 19.875 20.912 895 HB2 ALA 116 HB2 ALA 116 -20.368 19.972 19.257 896 HB3 ALA 116 HB3 ALA 116 -19.458 18.555 19.783 897 H LEU 117 H LEU 117 -16.668 18.557 20.371 898 HA LEU 117 HA LEU 117 -16.164 19.645 22.922 899 HB2 LEU 117 HB2 LEU 117 -15.857 17.256 22.203 900 HB3 LEU 117 HB3 LEU 117 -14.377 17.765 21.391 901 HG LEU 117 HG LEU 117 -14.142 16.673 23.678 902 HD11 LEU 117 HD11 LEU 117 -12.251 17.982 24.217 903 HD12 LEU 117 HD12 LEU 117 -12.938 19.420 23.464 904 HD13 LEU 117 HD13 LEU 117 -12.421 18.063 22.464 905 HD21 LEU 117 HD21 LEU 117 -14.508 18.032 25.618 906 HD22 LEU 117 HD22 LEU 117 -16.018 17.943 24.710 907 HD23 LEU 117 HD23 LEU 117 -15.021 19.396 24.625 908 H ALA 118 H ALA 118 -14.185 19.619 19.963 909 HA ALA 118 HA ALA 118 -12.091 21.191 21.059 910 HB1 ALA 118 HB1 ALA 118 -12.420 21.340 18.156 911 HB2 ALA 118 HB2 ALA 118 -11.047 20.793 19.118 912 HB3 ALA 118 HB3 ALA 118 -12.389 19.696 18.796 913 H LEU 119 H LEU 119 -15.063 21.943 19.358 914 HA LEU 119 HA LEU 119 -14.495 24.627 18.720 915 HB2 LEU 119 HB2 LEU 119 -16.313 23.649 17.615 916 HB3 LEU 119 HB3 LEU 119 -17.035 23.085 19.121 917 HG LEU 119 HG LEU 119 -17.739 25.315 19.682 918 HD11 LEU 119 HD11 LEU 119 -17.372 27.168 18.031 919 HD12 LEU 119 HD12 LEU 119 -16.190 26.131 17.234 920 HD13 LEU 119 HD13 LEU 119 -15.931 26.643 18.902 921 HD21 LEU 119 HD21 LEU 119 -18.385 24.831 16.779 922 HD22 LEU 119 HD22 LEU 119 -19.365 25.687 17.970 923 HD23 LEU 119 HD23 LEU 119 -19.119 23.946 18.116 924 H ILE 120 H ILE 120 -16.252 23.216 21.477 925 HA ILE 120 HA ILE 120 -16.758 25.642 22.802 926 HB ILE 120 HB ILE 120 -16.805 22.779 23.563 927 HG12 ILE 120 HG12 ILE 120 -19.058 23.347 24.276 928 HG13 ILE 120 HG13 ILE 120 -18.716 25.064 24.095 929 HG21 ILE 120 HG21 ILE 120 -16.477 25.011 25.541 930 HG22 ILE 120 HG22 ILE 120 -17.315 23.516 25.958 931 HG23 ILE 120 HG23 ILE 120 -15.624 23.470 25.461 932 HD11 ILE 120 HD11 ILE 120 -18.325 23.394 21.698 933 HD12 ILE 120 HD12 ILE 120 -19.986 23.614 22.251 934 HD13 ILE 120 HD13 ILE 120 -18.993 25.018 21.861 935 H GLU 121 H GLU 121 -14.075 23.345 23.053 936 HA GLU 121 HA GLU 121 -12.764 24.650 25.197 937 HB2 GLU 121 HB2 GLU 121 -11.630 22.828 23.067 938 HB3 GLU 121 HB3 GLU 121 -10.808 23.291 24.550 939 HG2 GLU 121 HG2 GLU 121 -13.485 22.008 24.734 940 HG3 GLU 121 HG3 GLU 121 -12.080 21.012 24.357 941 H SER 122 H SER 122 -13.067 25.400 21.889 942 HA SER 122 HA SER 122 -10.598 26.842 21.615 943 HB2 SER 122 HB2 SER 122 -11.204 27.168 19.424 944 HB3 SER 122 HB3 SER 122 -12.234 25.784 19.791 945 HG SER 122 HG SER 122 -12.931 28.515 19.636 946 H GLY 123 H GLY 123 -13.637 27.492 23.006 947 HA2 GLY 123 HA2 GLY 123 -13.609 29.525 24.442 948 HA3 GLY 123 HA3 GLY 123 -13.027 30.385 23.023 949 H MET 124 H MET 124 -15.347 27.983 22.355 950 HA MET 124 HA MET 124 -17.330 30.063 21.812 951 HB2 MET 124 HB2 MET 124 -16.462 27.892 20.332 952 HB3 MET 124 HB3 MET 124 -18.011 27.354 20.966 953 HG2 MET 124 HG2 MET 124 -18.672 28.329 19.016 954 HG3 MET 124 HG3 MET 124 -18.826 29.690 20.124 955 HE1 MET 124 HE1 MET 124 -16.604 31.675 20.242 956 HE2 MET 124 HE2 MET 124 -16.861 32.350 18.633 957 HE3 MET 124 HE3 MET 124 -18.235 31.771 19.577 958 H LYS 125 H LYS 125 -19.538 29.797 22.409 959 HA LYS 125 HA LYS 125 -19.864 28.730 25.049 960 HB2 LYS 125 HB2 LYS 125 -22.369 29.412 23.815 961 HB3 LYS 125 HB3 LYS 125 -21.532 30.212 25.139 962 HG2 LYS 125 HG2 LYS 125 -20.129 31.366 23.381 963 HG3 LYS 125 HG3 LYS 125 -21.280 30.746 22.194 964 HD2 LYS 125 HD2 LYS 125 -22.285 32.739 22.608 965 HD3 LYS 125 HD3 LYS 125 -23.005 31.819 23.931 966 HE2 LYS 125 HE2 LYS 125 -20.427 32.913 24.664 967 HE3 LYS 125 HE3 LYS 125 -21.538 34.174 24.133 968 HZ1 LYS 125 HZ1 LYS 125 -22.391 32.132 26.085 969 HZ2 LYS 125 HZ2 LYS 125 -23.035 33.672 25.811 970 HZ3 LYS 125 HZ3 LYS 125 -21.541 33.507 26.587 971 H TYR 126 H TYR 126 -20.762 26.857 25.678 972 HA TYR 126 HA TYR 126 -20.975 24.671 24.014 973 HB2 TYR 126 HB2 TYR 126 -21.028 23.820 26.093 974 HB3 TYR 126 HB3 TYR 126 -21.698 25.302 26.766 975 HD1 TYR 126 HD2 TYR 126 -22.713 22.303 24.790 976 HD2 TYR 126 HD1 TYR 126 -23.865 25.290 27.593 977 HE1 TYR 126 HE2 TYR 126 -24.881 21.180 25.087 978 HE2 TYR 126 HE1 TYR 126 -26.036 24.175 27.898 979 HH TYR 126 HH TYR 126 -27.295 22.421 27.378 980 H GLU 127 H GLU 127 -23.623 26.724 25.217 981 HA GLU 127 HA GLU 127 -25.718 25.407 23.922 982 HB2 GLU 127 HB2 GLU 127 -25.396 28.283 24.773 983 HB3 GLU 127 HB3 GLU 127 -26.892 27.654 24.099 984 HG2 GLU 127 HG2 GLU 127 -26.369 25.842 26.061 985 HG3 GLU 127 HG3 GLU 127 -25.747 27.332 26.767 986 H ASP 128 H ASP 128 -24.053 28.392 22.896 987 HA ASP 128 HA ASP 128 -25.258 28.745 20.450 988 HB2 ASP 128 HB2 ASP 128 -23.058 29.842 21.797 989 HB3 ASP 128 HB3 ASP 128 -22.425 29.303 20.244 990 H ALA 129 H ALA 129 -22.196 27.002 21.015 991 HA ALA 129 HA ALA 129 -21.757 26.088 18.447 992 HB1 ALA 129 HB1 ALA 129 -21.103 24.796 21.087 993 HB2 ALA 129 HB2 ALA 129 -20.506 24.208 19.535 994 HB3 ALA 129 HB3 ALA 129 -20.062 25.819 20.097 995 H ILE 130 H ILE 130 -23.561 24.455 21.047 996 HA ILE 130 HA ILE 130 -24.250 22.135 19.706 997 HB ILE 130 HB ILE 130 -25.790 23.691 21.779 998 HG12 ILE 130 HG12 ILE 130 -24.244 22.798 23.135 999 HG13 ILE 130 HG13 ILE 130 -24.942 21.222 22.776 1000 HG21 ILE 130 HG21 ILE 130 -26.386 20.998 20.573 1001 HG22 ILE 130 HG22 ILE 130 -27.056 21.546 22.109 1002 HG23 ILE 130 HG23 ILE 130 -27.431 22.418 20.623 1003 HD11 ILE 130 HD11 ILE 130 -22.634 22.541 21.372 1004 HD12 ILE 130 HD12 ILE 130 -22.579 21.130 22.429 1005 HD13 ILE 130 HD13 ILE 130 -23.383 21.028 20.863 1006 H GLN 131 H GLN 131 -26.251 25.078 19.991 1007 HA GLN 131 HA GLN 131 -28.333 24.339 18.350 1008 HB2 GLN 131 HB2 GLN 131 -27.080 27.018 18.894 1009 HB3 GLN 131 HB3 GLN 131 -28.468 26.861 17.826 1010 HG2 GLN 131 HG2 GLN 131 -28.528 27.202 20.559 1011 HG3 GLN 131 HG3 GLN 131 -29.872 26.706 19.532 1012 HE21 GLN 131 HE21 GLN 131 -27.576 25.741 21.899 1013 HE22 GLN 131 HE22 GLN 131 -28.166 24.134 22.135 1014 H PHE 132 H PHE 132 -25.119 25.369 17.470 1015 HA PHE 132 HA PHE 132 -25.669 25.875 14.724 1016 HB2 PHE 132 HB2 PHE 132 -23.670 26.716 16.041 1017 HB3 PHE 132 HB3 PHE 132 -22.999 25.094 15.897 1018 HD1 PHE 132 HD1 PHE 132 -24.873 27.078 13.379 1019 HD2 PHE 132 HD2 PHE 132 -21.149 25.362 14.522 1020 HE1 PHE 132 HE1 PHE 132 -23.931 27.668 11.183 1021 HE2 PHE 132 HE2 PHE 132 -20.201 25.950 12.329 1022 HZ PHE 132 HZ PHE 132 -21.592 27.105 10.657 1023 H ILE 133 H ILE 133 -23.744 23.243 16.171 1024 HA ILE 133 HA ILE 133 -23.836 21.623 13.858 1025 HB ILE 133 HB ILE 133 -23.065 19.790 15.392 1026 HG12 ILE 133 HG12 ILE 133 -22.734 21.843 17.538 1027 HG13 ILE 133 HG13 ILE 133 -24.295 21.045 17.373 1028 HG21 ILE 133 HG21 ILE 133 -20.878 20.714 15.703 1029 HG22 ILE 133 HG22 ILE 133 -21.547 21.372 14.211 1030 HG23 ILE 133 HG23 ILE 133 -21.515 22.358 15.672 1031 HD11 ILE 133 HD11 ILE 133 -22.606 20.056 19.006 1032 HD12 ILE 133 HD12 ILE 133 -23.407 18.954 17.886 1033 HD13 ILE 133 HD13 ILE 133 -21.752 19.478 17.575 1034 H ARG 134 H ARG 134 -26.163 22.269 16.224 1035 HA ARG 134 HA ARG 134 -27.524 19.717 15.997 1036 HB2 ARG 134 HB2 ARG 134 -27.563 20.857 18.145 1037 HB3 ARG 134 HB3 ARG 134 -28.289 22.278 17.408 1038 HG2 ARG 134 HG2 ARG 134 -30.339 21.184 17.062 1039 HG3 ARG 134 HG3 ARG 134 -29.631 19.595 17.362 1040 HD2 ARG 134 HD2 ARG 134 -29.168 20.357 19.709 1041 HD3 ARG 134 HD3 ARG 134 -30.121 21.798 19.356 1042 HE ARG 134 HE ARG 134 -31.490 19.325 18.815 1043 HH11 ARG 134 HH11 ARG 134 -30.743 21.732 21.216 1044 HH12 ARG 134 HH12 ARG 134 -32.125 21.372 22.196 1045 HH21 ARG 134 HH21 ARG 134 -33.314 18.841 20.096 1046 HH22 ARG 134 HH22 ARG 134 -33.587 19.727 21.559 1047 H GLN 135 H GLN 135 -28.005 23.070 14.966 1048 HA GLN 135 HA GLN 135 -30.494 22.557 13.665 1049 HB2 GLN 135 HB2 GLN 135 -30.461 24.801 13.016 1050 HB3 GLN 135 HB3 GLN 135 -29.576 24.802 14.535 1051 HG2 GLN 135 HG2 GLN 135 -28.106 26.027 13.367 1052 HG3 GLN 135 HG3 GLN 135 -27.542 24.449 12.820 1053 HE21 GLN 135 HE21 GLN 135 -27.108 26.746 11.358 1054 HE22 GLN 135 HE22 GLN 135 -28.027 26.674 9.897 1055 H LYS 136 H LYS 136 -27.161 22.305 12.763 1056 HA LYS 136 HA LYS 136 -27.361 22.481 9.979 1057 HB2 LYS 136 HB2 LYS 136 -25.231 21.435 9.887 1058 HB3 LYS 136 HB3 LYS 136 -25.246 22.388 11.365 1059 HG2 LYS 136 HG2 LYS 136 -24.779 20.596 12.572 1060 HG3 LYS 136 HG3 LYS 136 -26.193 19.753 11.933 1061 HD2 LYS 136 HD2 LYS 136 -24.114 18.520 11.496 1062 HD3 LYS 136 HD3 LYS 136 -24.907 19.022 10.001 1063 HE2 LYS 136 HE2 LYS 136 -23.090 20.131 9.368 1064 HE3 LYS 136 HE3 LYS 136 -23.112 21.076 10.856 1065 HZ1 LYS 136 HZ1 LYS 136 -22.126 18.392 11.193 1066 HZ2 LYS 136 HZ2 LYS 136 -21.480 19.857 11.737 1067 HZ3 LYS 136 HZ3 LYS 136 -21.177 19.334 10.157 1068 H ARG 137 H ARG 137 -28.495 20.085 12.139 1069 HA ARG 137 HA ARG 137 -29.562 18.546 9.935 1070 HB2 ARG 137 HB2 ARG 137 -27.392 17.484 10.201 1071 HB3 ARG 137 HB3 ARG 137 -27.660 17.305 11.930 1072 HG2 ARG 137 HG2 ARG 137 -28.111 15.194 11.106 1073 HG3 ARG 137 HG3 ARG 137 -29.717 15.914 11.243 1074 HD2 ARG 137 HD2 ARG 137 -29.254 16.644 8.767 1075 HD3 ARG 137 HD3 ARG 137 -28.101 15.310 8.810 1076 HE ARG 137 HE ARG 137 -29.859 13.865 8.693 1077 HH11 ARG 137 HH11 ARG 137 -31.026 16.940 9.832 1078 HH12 ARG 137 HH12 ARG 137 -32.691 16.463 9.813 1079 HH21 ARG 137 HH21 ARG 137 -32.048 13.224 8.664 1080 HH22 ARG 137 HH22 ARG 137 -33.271 14.348 9.149 1081 H ARG 138 H ARG 138 -29.013 17.260 13.147 1082 HA ARG 138 HA ARG 138 -31.169 18.145 14.569 1083 HB2 ARG 138 HB2 ARG 138 -32.015 16.499 12.358 1084 HB3 ARG 138 HB3 ARG 138 -32.443 15.732 13.882 1085 HG2 ARG 138 HG2 ARG 138 -33.244 18.263 14.368 1086 HG3 ARG 138 HG3 ARG 138 -33.500 18.167 12.625 1087 HD2 ARG 138 HD2 ARG 138 -35.511 17.502 13.802 1088 HD3 ARG 138 HD3 ARG 138 -34.822 16.121 12.949 1089 HE ARG 138 HE ARG 138 -33.783 15.989 15.481 1090 HH11 ARG 138 HH11 ARG 138 -36.976 16.048 14.096 1091 HH12 ARG 138 HH12 ARG 138 -37.685 15.102 15.362 1092 HH21 ARG 138 HH21 ARG 138 -34.704 14.743 17.155 1093 HH22 ARG 138 HH22 ARG 138 -36.392 14.361 17.103 1094 H GLY 139 H GLY 139 -30.921 17.394 16.580 1095 HA2 GLY 139 HA2 GLY 139 -30.002 16.192 18.315 1096 HA3 GLY 139 HA3 GLY 139 -30.637 14.806 17.441 1097 H ALA 140 H ALA 140 -27.922 17.076 16.985 1098 HA ALA 140 HA ALA 140 -26.242 14.908 16.054 1099 HB1 ALA 140 HB1 ALA 140 -26.247 17.787 15.851 1100 HB2 ALA 140 HB2 ALA 140 -24.658 17.180 16.319 1101 HB3 ALA 140 HB3 ALA 140 -25.430 16.589 14.847 1102 H ILE 141 H ILE 141 -25.792 17.440 18.533 1103 HA ILE 141 HA ILE 141 -23.986 15.645 19.971 1104 HB ILE 141 HB ILE 141 -23.181 17.915 19.564 1105 HG12 ILE 141 HG12 ILE 141 -23.144 18.513 22.225 1106 HG13 ILE 141 HG13 ILE 141 -23.585 16.810 22.268 1107 HG21 ILE 141 HG21 ILE 141 -24.648 19.478 21.364 1108 HG22 ILE 141 HG22 ILE 141 -24.615 19.608 19.607 1109 HG23 ILE 141 HG23 ILE 141 -25.840 18.613 20.394 1110 HD11 ILE 141 HD11 ILE 141 -21.216 17.854 20.748 1111 HD12 ILE 141 HD12 ILE 141 -21.136 17.305 22.423 1112 HD13 ILE 141 HD13 ILE 141 -21.601 16.180 21.147 1113 H ASN 142 H ASN 142 -27.203 16.265 19.938 1114 HA ASN 142 HA ASN 142 -27.994 16.713 22.546 1115 HB2 ASN 142 HB2 ASN 142 -29.249 15.995 20.162 1116 HB3 ASN 142 HB3 ASN 142 -29.652 14.691 21.276 1117 HD21 ASN 142 HD21 ASN 142 -29.491 18.230 21.153 1118 HD22 ASN 142 HD22 ASN 142 -30.923 18.497 22.081 1119 H SER 143 H SER 143 -29.143 14.988 23.934 1120 HA SER 143 HA SER 143 -29.116 13.027 25.127 1121 HB2 SER 143 HB2 SER 143 -26.839 11.930 23.516 1122 HB3 SER 143 HB3 SER 143 -28.196 11.080 24.255 1123 HG SER 143 HG SER 143 -29.524 12.210 22.652 1124 H LYS 144 H LYS 144 -26.713 11.480 25.678 1125 HA LYS 144 HA LYS 144 -25.741 12.640 27.924 1126 HB2 LYS 144 HB2 LYS 144 -24.240 10.894 25.967 1127 HB3 LYS 144 HB3 LYS 144 -23.658 11.279 27.581 1128 HG2 LYS 144 HG2 LYS 144 -24.704 9.424 28.222 1129 HG3 LYS 144 HG3 LYS 144 -26.194 10.357 28.065 1130 HD2 LYS 144 HD2 LYS 144 -25.644 9.511 25.481 1131 HD3 LYS 144 HD3 LYS 144 -25.228 8.122 26.488 1132 HE2 LYS 144 HE2 LYS 144 -27.372 7.777 27.129 1133 HE3 LYS 144 HE3 LYS 144 -27.760 9.496 27.136 1134 HZ1 LYS 144 HZ1 LYS 144 -28.206 7.563 25.100 1135 HZ2 LYS 144 HZ2 LYS 144 -27.307 8.864 24.502 1136 HZ3 LYS 144 HZ3 LYS 144 -28.808 9.138 25.230 1137 H GLN 145 H GLN 145 -24.147 12.870 24.740 1138 HA GLN 145 HA GLN 145 -22.028 14.463 25.310 1139 HB2 GLN 145 HB2 GLN 145 -23.770 15.027 22.919 1140 HB3 GLN 145 HB3 GLN 145 -22.023 15.177 23.051 1141 HG2 GLN 145 HG2 GLN 145 -23.663 12.671 22.877 1142 HG3 GLN 145 HG3 GLN 145 -22.430 13.254 21.760 1143 HE21 GLN 145 HE21 GLN 145 -23.064 11.160 24.246 1144 HE22 GLN 145 HE22 GLN 145 -21.444 10.813 24.737 1145 H LEU 146 H LEU 146 -25.335 15.604 24.678 1146 HA LEU 146 HA LEU 146 -24.827 18.343 24.946 1147 HB2 LEU 146 HB2 LEU 146 -27.034 16.740 24.458 1148 HB3 LEU 146 HB3 LEU 146 -27.427 17.559 25.968 1149 HG LEU 146 HG LEU 146 -26.937 19.731 24.793 1150 HD11 LEU 146 HD11 LEU 146 -27.413 18.581 22.161 1151 HD12 LEU 146 HD12 LEU 146 -25.859 18.116 22.852 1152 HD13 LEU 146 HD13 LEU 146 -26.266 19.822 22.668 1153 HD21 LEU 146 HD21 LEU 146 -29.182 19.469 25.023 1154 HD22 LEU 146 HD22 LEU 146 -29.197 17.899 24.220 1155 HD23 LEU 146 HD23 LEU 146 -29.083 19.377 23.264 1156 H THR 147 H THR 147 -26.191 16.101 27.364 1157 HA THR 147 HA THR 147 -26.233 17.882 29.507 1158 HB THR 147 HB THR 147 -26.363 15.951 30.970 1159 HG1 THR 147 HG1 THR 147 -26.187 13.828 29.690 1160 HG21 THR 147 HG21 THR 147 -27.818 15.641 28.349 1161 HG22 THR 147 HG22 THR 147 -28.400 16.405 29.828 1162 HG23 THR 147 HG23 THR 147 -28.170 14.658 29.769 1163 H TYR 148 H TYR 148 -23.620 15.958 28.195 1164 HA TYR 148 HA TYR 148 -21.816 16.024 30.306 1165 HB2 TYR 148 HB2 TYR 148 -21.212 14.665 28.494 1166 HB3 TYR 148 HB3 TYR 148 -21.464 15.953 27.322 1167 HD1 TYR 148 HD2 TYR 148 -19.370 15.454 30.387 1168 HD2 TYR 148 HD1 TYR 148 -19.537 16.712 26.326 1169 HE1 TYR 148 HE2 TYR 148 -16.969 15.979 30.457 1170 HE2 TYR 148 HE1 TYR 148 -17.135 17.239 26.385 1171 HH TYR 148 HH TYR 148 -15.200 16.668 29.309 1172 H LEU 149 H LEU 149 -21.814 18.233 27.501 1173 HA LEU 149 HA LEU 149 -20.000 20.063 28.643 1174 HB2 LEU 149 HB2 LEU 149 -21.258 19.719 26.186 1175 HB3 LEU 149 HB3 LEU 149 -21.826 21.285 26.760 1176 HG LEU 149 HG LEU 149 -19.917 21.628 25.358 1177 HD11 LEU 149 HD11 LEU 149 -19.087 23.206 26.689 1178 HD12 LEU 149 HD12 LEU 149 -18.440 22.019 27.822 1179 HD13 LEU 149 HD13 LEU 149 -20.118 22.545 27.958 1180 HD21 LEU 149 HD21 LEU 149 -18.460 19.955 25.164 1181 HD22 LEU 149 HD22 LEU 149 -18.940 19.254 26.709 1182 HD23 LEU 149 HD23 LEU 149 -17.735 20.541 26.661 1183 H GLU 150 H GLU 150 -23.424 19.657 28.959 1184 HA GLU 150 HA GLU 150 -24.182 22.228 29.755 1185 HB2 GLU 150 HB2 GLU 150 -25.597 20.075 29.288 1186 HB3 GLU 150 HB3 GLU 150 -25.399 19.796 31.012 1187 HG2 GLU 150 HG2 GLU 150 -26.400 22.428 30.021 1188 HG3 GLU 150 HG3 GLU 150 -27.488 21.047 30.149 1189 H LYS 151 H LYS 151 -23.013 19.485 31.679 1190 HA LYS 151 HA LYS 151 -22.933 21.161 34.068 1191 HB2 LYS 151 HB2 LYS 151 -22.825 18.243 33.518 1192 HB3 LYS 151 HB3 LYS 151 -21.958 18.819 34.936 1193 HG2 LYS 151 HG2 LYS 151 -23.911 19.604 35.954 1194 HG3 LYS 151 HG3 LYS 151 -24.825 19.546 34.445 1195 HD2 LYS 151 HD2 LYS 151 -23.679 16.993 35.410 1196 HD3 LYS 151 HD3 LYS 151 -25.017 17.666 36.344 1197 HE2 LYS 151 HE2 LYS 151 -25.084 17.244 33.360 1198 HE3 LYS 151 HE3 LYS 151 -25.696 16.078 34.533 1199 HZ1 LYS 151 HZ1 LYS 151 -26.709 18.800 33.967 1200 HZ2 LYS 151 HZ2 LYS 151 -27.129 17.962 35.375 1201 HZ3 LYS 151 HZ3 LYS 151 -27.540 17.330 33.860 1202 H TYR 152 H TYR 152 -20.827 19.735 31.697 1203 HA TYR 152 HA TYR 152 -18.397 19.855 33.097 1204 HB2 TYR 152 HB2 TYR 152 -18.780 18.669 30.922 1205 HB3 TYR 152 HB3 TYR 152 -18.784 20.237 30.122 1206 HD1 TYR 152 HD2 TYR 152 -16.724 21.521 29.888 1207 HD2 TYR 152 HD1 TYR 152 -16.723 17.697 31.754 1208 HE1 TYR 152 HE2 TYR 152 -14.275 21.424 29.674 1209 HE2 TYR 152 HE1 TYR 152 -14.275 17.590 31.546 1210 HH TYR 152 HH TYR 152 -12.445 20.217 30.005 1211 H ARG 153 H ARG 153 -16.704 21.384 33.028 1212 HA ARG 153 HA ARG 153 -17.560 24.120 32.343 1213 HB2 ARG 153 HB2 ARG 153 -17.515 24.109 34.690 1214 HB3 ARG 153 HB3 ARG 153 -16.083 23.091 34.748 1215 HG2 ARG 153 HG2 ARG 153 -15.828 25.768 33.495 1216 HG3 ARG 153 HG3 ARG 153 -15.984 25.680 35.251 1217 HD2 ARG 153 HD2 ARG 153 -14.131 23.699 34.529 1218 HD3 ARG 153 HD3 ARG 153 -13.704 25.131 33.593 1219 HE ARG 153 HE ARG 153 -14.089 26.061 36.130 1220 HH11 ARG 153 HH11 ARG 153 -12.085 23.611 34.682 1221 HH12 ARG 153 HH12 ARG 153 -10.814 23.776 35.847 1222 HH21 ARG 153 HH21 ARG 153 -12.422 26.289 37.671 1223 HH22 ARG 153 HH22 ARG 153 -11.007 25.299 37.548 1224 HA PRO 154 HA PRO 154 -14.016 24.108 29.697 1225 HB2 PRO 154 HB2 PRO 154 -13.975 26.770 29.162 1226 HB3 PRO 154 HB3 PRO 154 -15.151 25.663 28.443 1227 HG2 PRO 154 HG2 PRO 154 -15.469 27.508 30.778 1228 HG3 PRO 154 HG3 PRO 154 -16.591 27.191 29.443 1229 HD2 PRO 154 HD2 PRO 154 -16.878 26.061 31.886 1230 HD3 PRO 154 HD3 PRO 154 -17.365 25.238 30.391 1231 H LYS 155 H LYS 155 -12.094 23.769 30.641 1232 HA LYS 155 HA LYS 155 -11.131 25.449 32.781 1233 HB2 LYS 155 HB2 LYS 155 -9.222 23.938 32.842 1234 HB3 LYS 155 HB3 LYS 155 -10.723 23.023 32.797 1235 HG2 LYS 155 HG2 LYS 155 -10.362 22.833 30.294 1236 HG3 LYS 155 HG3 LYS 155 -8.731 23.438 30.590 1237 HD2 LYS 155 HD2 LYS 155 -8.096 21.364 31.076 1238 HD3 LYS 155 HD3 LYS 155 -9.176 21.392 32.471 1239 HE2 LYS 155 HE2 LYS 155 -10.797 20.196 31.412 1240 HE3 LYS 155 HE3 LYS 155 -10.390 20.844 29.824 1241 HZ1 LYS 155 HZ1 LYS 155 -8.927 19.206 29.436 1242 HZ2 LYS 155 HZ2 LYS 155 -9.806 18.366 30.611 1243 HZ3 LYS 155 HZ3 LYS 155 -8.370 19.155 31.032 1244 H GLN 156 H GLN 156 -11.276 25.918 29.572 1245 HA GLN 156 HA GLN 156 -10.241 27.331 28.121 1246 HB2 GLN 156 HB2 GLN 156 -8.608 28.310 30.459 1247 HB3 GLN 156 HB3 GLN 156 -9.006 29.181 28.984 1248 HG2 GLN 156 HG2 GLN 156 -10.647 30.113 30.149 1249 HG3 GLN 156 HG3 GLN 156 -11.473 28.561 30.016 1250 HE21 GLN 156 HE21 GLN 156 -8.784 29.819 31.965 1251 HE22 GLN 156 HE22 GLN 156 -9.428 29.315 33.486 1252 H ARG 157 H ARG 157 -9.317 25.144 27.477 1253 HA ARG 157 HA ARG 157 -6.446 24.924 27.980 1254 HB2 ARG 157 HB2 ARG 157 -8.409 23.018 27.793 1255 HB3 ARG 157 HB3 ARG 157 -7.686 22.954 26.191 1256 HG2 ARG 157 HG2 ARG 157 -5.513 22.523 27.141 1257 HG3 ARG 157 HG3 ARG 157 -6.158 22.712 28.773 1258 HD2 ARG 157 HD2 ARG 157 -6.992 20.633 28.805 1259 HD3 ARG 157 HD3 ARG 157 -7.610 20.760 27.159 1260 HE ARG 157 HE ARG 157 -5.674 19.785 26.380 1261 HH11 ARG 157 HH11 ARG 157 -5.311 20.623 29.739 1262 HH12 ARG 157 HH12 ARG 157 -3.829 19.747 29.932 1263 HH21 ARG 157 HH21 ARG 157 -3.723 18.628 26.621 1264 HH22 ARG 157 HH22 ARG 157 -2.926 18.614 28.157 1265 H LEU 158 H LEU 158 -8.643 24.839 25.169 1266 HA LEU 158 HA LEU 158 -6.519 25.264 23.303 1267 HB2 LEU 158 HB2 LEU 158 -9.321 24.646 23.224 1268 HB3 LEU 158 HB3 LEU 158 -8.961 25.953 22.097 1269 HG LEU 158 HG LEU 158 -8.912 23.525 21.242 1270 HD11 LEU 158 HD11 LEU 158 -7.495 25.858 20.546 1271 HD12 LEU 158 HD12 LEU 158 -7.938 24.501 19.510 1272 HD13 LEU 158 HD13 LEU 158 -6.385 24.502 20.346 1273 HD21 LEU 158 HD21 LEU 158 -7.403 22.892 23.250 1274 HD22 LEU 158 HD22 LEU 158 -6.099 23.554 22.262 1275 HD23 LEU 158 HD23 LEU 158 -7.060 22.200 21.664 1276 H ARG 159 H ARG 159 -8.722 27.302 25.062 1277 HA ARG 159 HA ARG 159 -7.247 29.634 24.670 1278 HB2 ARG 159 HB2 ARG 159 -8.873 29.005 22.436 1279 HB3 ARG 159 HB3 ARG 159 -9.625 30.368 23.253 1280 HG2 ARG 159 HG2 ARG 159 -6.862 30.907 23.141 1281 HG3 ARG 159 HG3 ARG 159 -7.346 30.331 21.545 1282 HD2 ARG 159 HD2 ARG 159 -8.929 32.039 21.285 1283 HD3 ARG 159 HD3 ARG 159 -8.926 32.420 23.006 1284 HE ARG 159 HE ARG 159 -7.199 33.496 21.027 1285 HH11 ARG 159 HH11 ARG 159 -7.301 32.484 24.357 1286 HH12 ARG 159 HH12 ARG 159 -6.031 33.552 24.856 1287 HH21 ARG 159 HH21 ARG 159 -5.526 34.906 21.672 1288 HH22 ARG 159 HH22 ARG 159 -5.023 34.930 23.328 1289 H PHE 160 H PHE 160 -9.062 31.632 24.892 1290 HA PHE 160 HA PHE 160 -10.167 31.125 27.512 1291 HB2 PHE 160 HB2 PHE 160 -9.210 33.394 26.109 1292 HB3 PHE 160 HB3 PHE 160 -10.899 33.703 26.498 1293 HD1 PHE 160 HD1 PHE 160 -7.590 32.925 27.916 1294 HD2 PHE 160 HD2 PHE 160 -11.593 34.127 28.723 1295 HE1 PHE 160 HE1 PHE 160 -6.945 33.517 30.215 1296 HE2 PHE 160 HE2 PHE 160 -10.954 34.721 31.024 1297 HZ PHE 160 HZ PHE 160 -8.628 34.418 31.772 1298 H LYS 161 H LYS 161 -12.168 30.465 27.881 1299 HA LYS 161 HA LYS 161 -14.191 30.850 25.777 1300 HB2 LYS 161 HB2 LYS 161 -13.470 28.493 26.636 1301 HB3 LYS 161 HB3 LYS 161 -14.480 28.881 28.022 1302 HG2 LYS 161 HG2 LYS 161 -15.755 29.357 25.430 1303 HG3 LYS 161 HG3 LYS 161 -15.344 27.670 25.750 1304 HD2 LYS 161 HD2 LYS 161 -16.447 28.666 28.132 1305 HD3 LYS 161 HD3 LYS 161 -17.480 29.262 26.830 1306 HE2 LYS 161 HE2 LYS 161 -17.348 26.813 25.967 1307 HE3 LYS 161 HE3 LYS 161 -16.854 26.444 27.619 1308 HZ1 LYS 161 HZ1 LYS 161 -19.284 28.032 27.103 1309 HZ2 LYS 161 HZ2 LYS 161 -18.886 27.108 28.463 1310 HZ3 LYS 161 HZ3 LYS 161 -19.332 26.343 27.021 1311 H ASP 162 H ASP 162 -16.480 30.968 26.653 1312 HA ASP 162 HA ASP 162 -16.890 33.268 28.083 1313 HB2 ASP 162 HB2 ASP 162 -18.639 32.107 26.781 1314 HB3 ASP 162 HB3 ASP 162 -18.728 30.865 28.028 Start of MODEL 4 1 H1 MET 1 H MET 1 -11.935 -2.606 -1.128 2 HA MET 1 HA MET 1 -9.031 -3.061 -1.078 3 HB2 MET 1 HB2 MET 1 -11.189 -4.491 -2.639 4 HB3 MET 1 HB3 MET 1 -9.472 -4.865 -2.708 5 HG2 MET 1 HG2 MET 1 -10.877 -4.908 -0.081 6 HG3 MET 1 HG3 MET 1 -11.072 -6.256 -1.200 7 HE1 MET 1 HE1 MET 1 -7.529 -4.356 0.524 8 HE2 MET 1 HE2 MET 1 -9.200 -4.257 1.077 9 HE3 MET 1 HE3 MET 1 -8.100 -5.432 1.799 10 H ALA 2 H ALA 2 -7.738 -2.379 -2.722 11 HA ALA 2 HA ALA 2 -7.041 -1.198 -4.538 12 HB1 ALA 2 HB1 ALA 2 -8.290 -1.320 -6.549 13 HB2 ALA 2 HB2 ALA 2 -8.559 -2.840 -5.694 14 HB3 ALA 2 HB3 ALA 2 -9.799 -1.586 -5.676 15 H ARG 3 H ARG 3 -6.871 0.708 -3.276 16 HA ARG 3 HA ARG 3 -9.009 2.673 -3.786 17 HB2 ARG 3 HB2 ARG 3 -7.495 2.014 -1.343 18 HB3 ARG 3 HB3 ARG 3 -7.658 3.733 -1.675 19 HG2 ARG 3 HG2 ARG 3 -9.435 2.948 -0.220 20 HG3 ARG 3 HG3 ARG 3 -10.082 3.495 -1.768 21 HD2 ARG 3 HD2 ARG 3 -11.061 1.354 -0.891 22 HD3 ARG 3 HD3 ARG 3 -10.397 1.268 -2.522 23 HE ARG 3 HE ARG 3 -8.804 -0.201 -1.766 24 HH11 ARG 3 HH11 ARG 3 -10.372 1.309 0.951 25 HH12 ARG 3 HH12 ARG 3 -9.639 0.263 2.122 26 HH21 ARG 3 HH21 ARG 3 -7.833 -1.584 -0.234 27 HH22 ARG 3 HH22 ARG 3 -8.194 -1.381 1.447 28 H MET 4 H MET 4 -5.572 2.022 -3.735 29 HA MET 4 HA MET 4 -4.508 4.542 -4.098 30 HB2 MET 4 HB2 MET 4 -3.574 2.033 -5.499 31 HB3 MET 4 HB3 MET 4 -2.612 3.463 -5.153 32 HG2 MET 4 HG2 MET 4 -1.947 2.411 -3.320 33 HG3 MET 4 HG3 MET 4 -3.557 2.726 -2.677 34 HE1 MET 4 HE1 MET 4 -2.796 0.090 -5.670 35 HE2 MET 4 HE2 MET 4 -1.343 0.372 -4.710 36 HE3 MET 4 HE3 MET 4 -2.158 -1.191 -4.639 37 H ASN 5 H ASN 5 -5.103 6.054 -5.500 38 HA ASN 5 HA ASN 5 -4.880 5.762 -8.275 39 HB2 ASN 5 HB2 ASN 5 -7.418 4.915 -7.194 40 HB3 ASN 5 HB3 ASN 5 -7.639 6.313 -8.242 41 HD21 ASN 5 HD21 ASN 5 -8.775 4.929 -9.676 42 HD22 ASN 5 HD22 ASN 5 -7.918 3.878 -10.747 43 H ARG 6 H ARG 6 -7.273 7.460 -6.247 44 HA ARG 6 HA ARG 6 -5.867 9.922 -6.259 45 HB2 ARG 6 HB2 ARG 6 -6.856 9.582 -8.678 46 HB3 ARG 6 HB3 ARG 6 -8.352 10.100 -7.912 47 HG2 ARG 6 HG2 ARG 6 -7.629 12.139 -8.520 48 HG3 ARG 6 HG3 ARG 6 -6.697 12.021 -7.027 49 HD2 ARG 6 HD2 ARG 6 -4.774 12.053 -8.145 50 HD3 ARG 6 HD3 ARG 6 -5.306 10.747 -9.203 51 HE ARG 6 HE ARG 6 -5.186 13.504 -9.849 52 HH11 ARG 6 HH11 ARG 6 -7.085 10.633 -10.368 53 HH12 ARG 6 HH12 ARG 6 -7.699 11.158 -11.900 54 HH21 ARG 6 HH21 ARG 6 -5.987 14.207 -11.865 55 HH22 ARG 6 HH22 ARG 6 -7.073 13.191 -12.752 56 HA PRO 7 HA PRO 7 -9.229 9.332 -3.106 57 HB2 PRO 7 HB2 PRO 7 -7.636 9.842 -0.967 58 HB3 PRO 7 HB3 PRO 7 -7.804 8.233 -1.678 59 HG2 PRO 7 HG2 PRO 7 -5.637 10.260 -2.070 60 HG3 PRO 7 HG3 PRO 7 -5.500 8.508 -1.836 61 HD2 PRO 7 HD2 PRO 7 -5.315 9.670 -4.274 62 HD3 PRO 7 HD3 PRO 7 -5.997 8.047 -4.039 63 H ALA 8 H ALA 8 -10.506 11.054 -2.917 64 HA ALA 8 HA ALA 8 -9.275 13.712 -2.629 65 HB1 ALA 8 HB1 ALA 8 -12.124 13.208 -3.433 66 HB2 ALA 8 HB2 ALA 8 -11.147 14.657 -3.678 67 HB3 ALA 8 HB3 ALA 8 -10.805 13.195 -4.604 68 HA PRO 9 HA PRO 9 -10.989 12.990 1.552 69 HB2 PRO 9 HB2 PRO 9 -9.184 14.597 2.790 70 HB3 PRO 9 HB3 PRO 9 -8.847 12.911 2.380 71 HG2 PRO 9 HG2 PRO 9 -8.054 15.407 0.932 72 HG3 PRO 9 HG3 PRO 9 -7.092 13.957 1.270 73 HD2 PRO 9 HD2 PRO 9 -8.243 14.412 -1.138 74 HD3 PRO 9 HD3 PRO 9 -8.022 12.779 -0.479 75 H VAL 10 H VAL 10 -11.013 15.008 3.341 76 HA VAL 10 HA VAL 10 -12.257 17.287 1.953 77 HB VAL 10 HB VAL 10 -13.375 15.660 4.213 78 HG11 VAL 10 HG11 VAL 10 -15.061 17.506 4.498 79 HG12 VAL 10 HG12 VAL 10 -13.444 17.859 5.111 80 HG13 VAL 10 HG13 VAL 10 -13.973 18.540 3.572 81 HG21 VAL 10 HG21 VAL 10 -15.382 15.680 2.876 82 HG22 VAL 10 HG22 VAL 10 -14.655 16.811 1.736 83 HG23 VAL 10 HG23 VAL 10 -14.024 15.170 1.873 84 H GLU 11 H GLU 11 -11.253 19.108 2.464 85 HA GLU 11 HA GLU 11 -9.702 19.252 4.936 86 HB2 GLU 11 HB2 GLU 11 -8.313 20.044 3.303 87 HB3 GLU 11 HB3 GLU 11 -9.638 20.645 2.317 88 HG2 GLU 11 HG2 GLU 11 -9.023 21.998 4.896 89 HG3 GLU 11 HG3 GLU 11 -7.991 22.291 3.498 90 H VAL 12 H VAL 12 -10.354 20.361 6.658 91 HA VAL 12 HA VAL 12 -12.583 22.264 6.328 92 HB VAL 12 HB VAL 12 -13.435 20.434 7.569 93 HG11 VAL 12 HG11 VAL 12 -12.357 19.437 9.473 94 HG12 VAL 12 HG12 VAL 12 -11.223 19.445 8.120 95 HG13 VAL 12 HG13 VAL 12 -11.060 20.631 9.416 96 HG21 VAL 12 HG21 VAL 12 -14.074 21.444 9.625 97 HG22 VAL 12 HG22 VAL 12 -12.620 22.442 9.661 98 HG23 VAL 12 HG23 VAL 12 -13.869 22.748 8.455 99 H SER 13 H SER 13 -11.716 24.244 6.397 100 HA SER 13 HA SER 13 -9.534 24.803 8.263 101 HB2 SER 13 HB2 SER 13 -8.823 26.319 6.759 102 HB3 SER 13 HB3 SER 13 -10.010 25.624 5.656 103 HG SER 13 HG SER 13 -11.514 27.178 6.480 104 H TYR 14 H TYR 14 -9.908 25.720 10.161 105 HA TYR 14 HA TYR 14 -12.524 26.946 10.649 106 HB2 TYR 14 HB2 TYR 14 -11.136 25.109 12.117 107 HB3 TYR 14 HB3 TYR 14 -10.685 26.606 12.925 108 HD1 TYR 14 HD2 TYR 14 -13.878 25.398 11.396 109 HD2 TYR 14 HD1 TYR 14 -11.896 26.842 14.873 110 HE1 TYR 14 HE2 TYR 14 -16.014 25.378 12.614 111 HE2 TYR 14 HE1 TYR 14 -14.027 26.825 16.102 112 HH TYR 14 HH TYR 14 -16.619 25.181 15.262 113 H LYS 15 H LYS 15 -11.742 28.435 12.936 114 HA LYS 15 HA LYS 15 -11.140 30.909 11.798 115 HB2 LYS 15 HB2 LYS 15 -10.762 31.670 14.138 116 HB3 LYS 15 HB3 LYS 15 -12.263 30.779 13.926 117 HG2 LYS 15 HG2 LYS 15 -10.844 28.735 14.682 118 HG3 LYS 15 HG3 LYS 15 -9.763 29.968 15.337 119 HD2 LYS 15 HD2 LYS 15 -12.697 30.068 15.920 120 HD3 LYS 15 HD3 LYS 15 -11.646 28.985 16.836 121 HE2 LYS 15 HE2 LYS 15 -11.544 30.852 18.153 122 HE3 LYS 15 HE3 LYS 15 -10.182 31.161 17.077 123 HZ1 LYS 15 HZ1 LYS 15 -12.527 32.173 15.905 124 HZ2 LYS 15 HZ2 LYS 15 -11.152 33.019 16.412 125 HZ3 LYS 15 HZ3 LYS 15 -12.428 32.753 17.491 126 H HIS 16 H HIS 16 -9.035 28.741 13.685 127 HA HIS 16 HA HIS 16 -6.727 29.840 12.264 128 HB2 HIS 16 HB2 HIS 16 -7.267 30.781 14.740 129 HB3 HIS 16 HB3 HIS 16 -6.300 29.369 15.156 130 HD1 HIS 16 HD1 HIS 16 -3.957 30.030 15.516 131 HD2 HIS 16 HD2 HIS 16 -5.718 32.234 12.466 132 HE1 HIS 16 HE1 HIS 16 -2.154 31.563 14.667 133 H MET 17 H MET 17 -7.937 27.412 11.770 134 HA MET 17 HA MET 17 -5.749 25.615 12.245 135 HB2 MET 17 HB2 MET 17 -6.617 24.216 13.782 136 HB3 MET 17 HB3 MET 17 -7.648 25.578 14.200 137 HG2 MET 17 HG2 MET 17 -9.268 24.650 12.455 138 HG3 MET 17 HG3 MET 17 -8.301 23.179 12.532 139 HE1 MET 17 HE1 MET 17 -9.315 25.291 16.135 140 HE2 MET 17 HE2 MET 17 -9.765 25.903 14.544 141 HE3 MET 17 HE3 MET 17 -10.975 25.123 15.563 142 H ARG 18 H ARG 18 -6.217 23.427 11.217 143 HA ARG 18 HA ARG 18 -8.306 23.360 9.233 144 HB2 ARG 18 HB2 ARG 18 -6.220 24.749 8.379 145 HB3 ARG 18 HB3 ARG 18 -5.557 23.146 8.090 146 HG2 ARG 18 HG2 ARG 18 -7.164 22.630 6.495 147 HG3 ARG 18 HG3 ARG 18 -8.265 23.889 7.059 148 HD2 ARG 18 HD2 ARG 18 -7.300 25.462 5.786 149 HD3 ARG 18 HD3 ARG 18 -5.673 24.901 6.166 150 HE ARG 18 HE ARG 18 -6.544 23.005 4.479 151 HH11 ARG 18 HH11 ARG 18 -6.582 26.481 4.303 152 HH12 ARG 18 HH12 ARG 18 -6.467 26.525 2.575 153 HH21 ARG 18 HH21 ARG 18 -6.393 23.050 2.203 154 HH22 ARG 18 HH22 ARG 18 -6.361 24.573 1.382 155 H PHE 19 H PHE 19 -8.983 21.330 9.213 156 HA PHE 19 HA PHE 19 -7.021 19.188 9.711 157 HB2 PHE 19 HB2 PHE 19 -9.905 19.450 10.542 158 HB3 PHE 19 HB3 PHE 19 -9.092 17.888 10.502 159 HD1 PHE 19 HD1 PHE 19 -8.375 21.330 11.762 160 HD2 PHE 19 HD2 PHE 19 -8.292 17.141 12.508 161 HE1 PHE 19 HE1 PHE 19 -7.467 21.751 14.010 162 HE2 PHE 19 HE2 PHE 19 -7.385 17.555 14.757 163 HZ PHE 19 HZ PHE 19 -6.972 19.863 15.511 164 H LEU 20 H LEU 20 -7.746 17.032 8.802 165 HA LEU 20 HA LEU 20 -9.152 17.367 6.242 166 HB2 LEU 20 HB2 LEU 20 -6.388 16.760 6.644 167 HB3 LEU 20 HB3 LEU 20 -7.185 15.368 5.914 168 HG LEU 20 HG LEU 20 -6.274 16.677 4.153 169 HD11 LEU 20 HD11 LEU 20 -8.094 16.290 2.954 170 HD12 LEU 20 HD12 LEU 20 -8.837 17.758 3.587 171 HD13 LEU 20 HD13 LEU 20 -9.058 16.225 4.430 172 HD21 LEU 20 HD21 LEU 20 -6.708 19.025 3.848 173 HD22 LEU 20 HD22 LEU 20 -6.038 18.769 5.459 174 HD23 LEU 20 HD23 LEU 20 -7.768 19.052 5.257 175 H ILE 21 H ILE 21 -10.967 16.234 6.571 176 HA ILE 21 HA ILE 21 -10.944 13.775 8.104 177 HB ILE 21 HB ILE 21 -13.450 13.854 7.143 178 HG12 ILE 21 HG12 ILE 21 -12.615 16.025 5.898 179 HG13 ILE 21 HG13 ILE 21 -14.230 15.955 6.595 180 HG21 ILE 21 HG21 ILE 21 -12.323 15.443 9.441 181 HG22 ILE 21 HG22 ILE 21 -14.040 15.125 9.204 182 HG23 ILE 21 HG23 ILE 21 -12.925 13.786 9.478 183 HD11 ILE 21 HD11 ILE 21 -12.812 18.046 6.998 184 HD12 ILE 21 HD12 ILE 21 -13.648 17.328 8.375 185 HD13 ILE 21 HD13 ILE 21 -11.922 17.051 8.150 186 H THR 22 H THR 22 -10.574 11.850 7.247 187 HA THR 22 HA THR 22 -10.639 11.515 4.354 188 HB THR 22 HB THR 22 -9.685 9.640 6.527 189 HG1 THR 22 HG1 THR 22 -8.056 10.909 4.601 190 HG21 THR 22 HG21 THR 22 -8.551 8.544 4.487 191 HG22 THR 22 HG22 THR 22 -9.768 9.396 3.536 192 HG23 THR 22 HG23 THR 22 -10.264 8.226 4.758 193 H HIS 23 H HIS 23 -11.881 9.992 3.277 194 HA HIS 23 HA HIS 23 -14.265 9.111 4.734 195 HB2 HIS 23 HB2 HIS 23 -13.770 9.193 1.750 196 HB3 HIS 23 HB3 HIS 23 -15.305 8.850 2.544 197 HD1 HIS 23 HD1 HIS 23 -14.556 11.328 4.652 198 HD2 HIS 23 HD2 HIS 23 -15.101 11.417 0.534 199 HE1 HIS 23 HE1 HIS 23 -15.165 13.706 4.105 200 H ASN 24 H ASN 24 -11.418 7.921 3.204 201 HA ASN 24 HA ASN 24 -12.059 5.386 2.396 202 HB2 ASN 24 HB2 ASN 24 -9.612 6.560 3.656 203 HB3 ASN 24 HB3 ASN 24 -9.688 4.818 3.403 204 HD21 ASN 24 HD21 ASN 24 -9.367 7.908 1.936 205 HD22 ASN 24 HD22 ASN 24 -9.072 7.356 0.326 206 HA PRO 25 HA PRO 25 -13.290 2.983 5.854 207 HB2 PRO 25 HB2 PRO 25 -12.093 0.597 5.358 208 HB3 PRO 25 HB3 PRO 25 -13.470 1.194 4.424 209 HG2 PRO 25 HG2 PRO 25 -10.553 1.267 3.755 210 HG3 PRO 25 HG3 PRO 25 -11.930 0.866 2.713 211 HD2 PRO 25 HD2 PRO 25 -10.728 3.292 2.670 212 HD3 PRO 25 HD3 PRO 25 -12.462 3.080 2.350 213 H THR 26 H THR 26 -9.843 2.407 5.124 214 HA THR 26 HA THR 26 -8.867 3.367 7.561 215 HB THR 26 HB THR 26 -9.994 1.490 8.613 216 HG1 THR 26 HG1 THR 26 -7.305 0.661 8.563 217 HG21 THR 26 HG21 THR 26 -8.954 0.054 6.303 218 HG22 THR 26 HG22 THR 26 -10.292 -0.353 7.377 219 HG23 THR 26 HG23 THR 26 -8.641 -0.785 7.822 220 H ASN 27 H ASN 27 -6.562 2.721 7.938 221 HA ASN 27 HA ASN 27 -5.013 3.067 5.692 222 HB2 ASN 27 HB2 ASN 27 -4.172 1.586 8.194 223 HB3 ASN 27 HB3 ASN 27 -3.105 2.384 7.042 224 HD21 ASN 27 HD21 ASN 27 -5.390 2.816 9.613 225 HD22 ASN 27 HD22 ASN 27 -5.057 4.487 9.904 226 H ALA 28 H ALA 28 -5.143 1.814 3.932 227 HA ALA 28 HA ALA 28 -5.426 -1.060 4.148 228 HB1 ALA 28 HB1 ALA 28 -5.833 -1.073 1.842 229 HB2 ALA 28 HB2 ALA 28 -6.568 0.425 2.414 230 HB3 ALA 28 HB3 ALA 28 -5.005 0.465 1.598 231 H THR 29 H THR 29 -3.086 1.150 2.609 232 HA THR 29 HA THR 29 -0.960 -0.771 3.221 233 HB THR 29 HB THR 29 -1.440 -1.345 0.963 234 HG1 THR 29 HG1 THR 29 0.849 -0.589 1.651 235 HG21 THR 29 HG21 THR 29 -1.770 1.592 0.626 236 HG22 THR 29 HG22 THR 29 -2.734 0.265 -0.022 237 HG23 THR 29 HG23 THR 29 -1.179 0.664 -0.752 238 H LEU 30 H LEU 30 -2.102 2.383 3.112 239 HA LEU 30 HA LEU 30 -1.199 4.380 3.723 240 HB2 LEU 30 HB2 LEU 30 0.474 2.405 4.935 241 HB3 LEU 30 HB3 LEU 30 1.472 3.751 4.389 242 HG LEU 30 HG LEU 30 0.309 5.287 5.779 243 HD11 LEU 30 HD11 LEU 30 -1.777 3.251 5.695 244 HD12 LEU 30 HD12 LEU 30 -1.897 4.992 5.951 245 HD13 LEU 30 HD13 LEU 30 -1.515 3.927 7.304 246 HD21 LEU 30 HD21 LEU 30 1.099 4.600 7.801 247 HD22 LEU 30 HD22 LEU 30 1.895 3.410 6.772 248 HD23 LEU 30 HD23 LEU 30 0.422 2.979 7.643 249 H SER 31 H SER 31 -0.685 2.986 1.044 250 HA SER 31 HA SER 31 1.785 4.115 0.107 251 HB2 SER 31 HB2 SER 31 -0.512 2.701 -1.236 252 HB3 SER 31 HB3 SER 31 0.797 3.423 -2.171 253 HG SER 31 HG SER 31 0.794 1.061 -1.102 254 H THR 32 H THR 32 -1.480 4.599 -1.218 255 HA THR 32 HA THR 32 -0.774 7.232 -2.146 256 HB THR 32 HB THR 32 -3.439 5.802 -2.200 257 HG1 THR 32 HG1 THR 32 -1.491 6.183 -4.249 258 HG21 THR 32 HG21 THR 32 -2.537 8.257 -3.711 259 HG22 THR 32 HG22 THR 32 -3.647 8.258 -2.340 260 HG23 THR 32 HG23 THR 32 -4.105 7.460 -3.845 261 H PHE 33 H PHE 33 -2.373 5.874 0.607 262 HA PHE 33 HA PHE 33 -3.961 8.018 1.422 263 HB2 PHE 33 HB2 PHE 33 -2.456 6.203 3.305 264 HB3 PHE 33 HB3 PHE 33 -3.996 7.008 3.583 265 HD1 PHE 33 HD1 PHE 33 -2.315 4.220 1.916 266 HD2 PHE 33 HD2 PHE 33 -6.044 6.127 2.673 267 HE1 PHE 33 HE1 PHE 33 -3.498 2.219 1.107 268 HE2 PHE 33 HE2 PHE 33 -7.233 4.130 1.867 269 HZ PHE 33 HZ PHE 33 -5.960 2.172 1.083 270 H ILE 34 H ILE 34 -0.692 7.196 2.597 271 HA ILE 34 HA ILE 34 -0.237 9.450 4.124 272 HB ILE 34 HB ILE 34 1.825 7.976 2.481 273 HG12 ILE 34 HG12 ILE 34 0.892 7.501 5.321 274 HG13 ILE 34 HG13 ILE 34 0.500 6.484 3.938 275 HG21 ILE 34 HG21 ILE 34 3.282 9.435 3.298 276 HG22 ILE 34 HG22 ILE 34 2.010 10.245 4.211 277 HG23 ILE 34 HG23 ILE 34 2.879 8.887 4.925 278 HD11 ILE 34 HD11 ILE 34 2.959 6.093 3.660 279 HD12 ILE 34 HD12 ILE 34 3.188 6.908 5.207 280 HD13 ILE 34 HD13 ILE 34 2.244 5.420 5.125 281 H GLU 35 H GLU 35 -0.006 9.049 0.651 282 HA GLU 35 HA GLU 35 1.329 11.528 0.166 283 HB2 GLU 35 HB2 GLU 35 -0.358 10.009 -1.817 284 HB3 GLU 35 HB3 GLU 35 0.991 11.087 -2.146 285 HG2 GLU 35 HG2 GLU 35 1.940 9.017 -0.467 286 HG3 GLU 35 HG3 GLU 35 1.007 8.275 -1.765 287 H ASP 36 H ASP 36 -2.001 10.506 0.431 288 HA ASP 36 HA ASP 36 -3.218 12.758 -0.751 289 HB2 ASP 36 HB2 ASP 36 -4.394 10.623 -0.279 290 HB3 ASP 36 HB3 ASP 36 -4.314 10.986 1.443 291 H LEU 37 H LEU 37 -2.375 12.028 2.618 292 HA LEU 37 HA LEU 37 -3.329 14.562 3.578 293 HB2 LEU 37 HB2 LEU 37 -2.550 13.870 5.715 294 HB3 LEU 37 HB3 LEU 37 -3.293 12.475 4.934 295 HG LEU 37 HG LEU 37 -0.781 11.971 4.261 296 HD11 LEU 37 HD11 LEU 37 0.583 13.520 5.141 297 HD12 LEU 37 HD12 LEU 37 0.381 12.594 6.627 298 HD13 LEU 37 HD13 LEU 37 -0.600 14.032 6.345 299 HD21 LEU 37 HD21 LEU 37 -1.770 10.277 5.414 300 HD22 LEU 37 HD22 LEU 37 -2.368 11.339 6.688 301 HD23 LEU 37 HD23 LEU 37 -0.672 10.855 6.667 302 H LYS 38 H LYS 38 -0.340 13.303 2.365 303 HA LYS 38 HA LYS 38 1.286 15.431 3.437 304 HB2 LYS 38 HB2 LYS 38 1.743 13.067 1.674 305 HB3 LYS 38 HB3 LYS 38 2.909 14.382 1.621 306 HG2 LYS 38 HG2 LYS 38 2.737 14.064 4.272 307 HG3 LYS 38 HG3 LYS 38 2.354 12.420 3.754 308 HD2 LYS 38 HD2 LYS 38 4.681 13.779 2.496 309 HD3 LYS 38 HD3 LYS 38 4.850 13.214 4.160 310 HE2 LYS 38 HE2 LYS 38 4.709 11.015 3.570 311 HE3 LYS 38 HE3 LYS 38 3.673 11.341 2.181 312 HZ1 LYS 38 HZ1 LYS 38 5.455 11.821 0.848 313 HZ2 LYS 38 HZ2 LYS 38 6.132 10.629 1.838 314 HZ3 LYS 38 HZ3 LYS 38 6.462 12.261 2.134 315 H LYS 39 H LYS 39 -0.353 14.693 0.427 316 HA LYS 39 HA LYS 39 0.870 16.815 -1.061 317 HB2 LYS 39 HB2 LYS 39 -0.646 16.236 -2.821 318 HB3 LYS 39 HB3 LYS 39 -0.093 14.739 -2.082 319 HG2 LYS 39 HG2 LYS 39 -2.184 14.616 -0.801 320 HG3 LYS 39 HG3 LYS 39 -2.740 16.091 -1.595 321 HD2 LYS 39 HD2 LYS 39 -1.903 13.662 -3.155 322 HD3 LYS 39 HD3 LYS 39 -3.549 13.861 -2.548 323 HE2 LYS 39 HE2 LYS 39 -2.757 16.280 -3.821 324 HE3 LYS 39 HE3 LYS 39 -2.387 14.938 -4.902 325 HZ1 LYS 39 HZ1 LYS 39 -5.025 15.437 -3.632 326 HZ2 LYS 39 HZ2 LYS 39 -4.663 14.181 -4.705 327 HZ3 LYS 39 HZ3 LYS 39 -4.631 15.786 -5.240 328 H TYR 40 H TYR 40 -2.146 16.391 0.717 329 HA TYR 40 HA TYR 40 -3.333 18.837 -0.079 330 HB2 TYR 40 HB2 TYR 40 -3.856 16.764 1.970 331 HB3 TYR 40 HB3 TYR 40 -4.511 18.362 2.306 332 HD1 TYR 40 HD2 TYR 40 -4.349 15.848 -0.453 333 HD2 TYR 40 HD1 TYR 40 -6.603 18.898 1.476 334 HE1 TYR 40 HE2 TYR 40 -6.251 15.373 -1.938 335 HE2 TYR 40 HE1 TYR 40 -8.512 18.431 -0.003 336 HH TYR 40 HH TYR 40 -8.309 15.944 -2.533 337 H GLY 41 H GLY 41 -0.688 18.200 1.888 338 HA2 GLY 41 HA2 GLY 41 0.692 19.796 2.893 339 HA3 GLY 41 HA3 GLY 41 -0.609 20.970 2.760 340 H ALA 42 H ALA 42 -0.852 17.769 4.217 341 HA ALA 42 HA ALA 42 -1.416 19.083 6.793 342 HB1 ALA 42 HB1 ALA 42 -2.798 17.148 7.340 343 HB2 ALA 42 HB2 ALA 42 -3.339 17.914 5.846 344 HB3 ALA 42 HB3 ALA 42 -2.406 16.419 5.783 345 H THR 43 H THR 43 0.132 18.863 8.256 346 HA THR 43 HA THR 43 2.101 16.737 8.002 347 HB THR 43 HB THR 43 3.420 17.909 9.594 348 HG1 THR 43 HG1 THR 43 2.506 19.738 10.731 349 HG21 THR 43 HG21 THR 43 3.951 19.577 8.203 350 HG22 THR 43 HG22 THR 43 2.405 20.385 8.466 351 HG23 THR 43 HG23 THR 43 2.539 19.110 7.255 352 H THR 44 H THR 44 -0.425 15.773 8.659 353 HA THR 44 HA THR 44 0.167 14.469 11.177 354 HB THR 44 HB THR 44 -2.586 15.134 11.385 355 HG1 THR 44 HG1 THR 44 -0.933 17.447 11.209 356 HG21 THR 44 HG21 THR 44 -2.015 15.757 13.550 357 HG22 THR 44 HG22 THR 44 -0.433 16.367 13.065 358 HG23 THR 44 HG23 THR 44 -0.728 14.629 13.127 359 H VAL 45 H VAL 45 -0.664 12.432 11.297 360 HA VAL 45 HA VAL 45 -1.913 11.402 8.884 361 HB VAL 45 HB VAL 45 -1.339 9.674 11.251 362 HG11 VAL 45 HG11 VAL 45 -2.071 9.283 8.570 363 HG12 VAL 45 HG12 VAL 45 -0.400 8.733 8.709 364 HG13 VAL 45 HG13 VAL 45 -1.643 8.056 9.761 365 HG21 VAL 45 HG21 VAL 45 1.012 9.461 10.515 366 HG22 VAL 45 HG22 VAL 45 0.760 10.807 9.404 367 HG23 VAL 45 HG23 VAL 45 0.634 11.064 11.144 368 H VAL 46 H VAL 46 -3.909 10.429 8.766 369 HA VAL 46 HA VAL 46 -5.866 11.313 10.665 370 HB VAL 46 HB VAL 46 -7.505 10.480 9.208 371 HG11 VAL 46 HG11 VAL 46 -5.079 11.415 7.711 372 HG12 VAL 46 HG12 VAL 46 -6.598 11.071 6.882 373 HG13 VAL 46 HG13 VAL 46 -6.537 12.314 8.132 374 HG21 VAL 46 HG21 VAL 46 -5.488 8.439 8.626 375 HG22 VAL 46 HG22 VAL 46 -7.248 8.324 8.641 376 HG23 VAL 46 HG23 VAL 46 -6.418 8.960 7.221 377 H ARG 47 H ARG 47 -3.999 9.666 11.933 378 HA ARG 47 HA ARG 47 -4.850 6.979 12.165 379 HB2 ARG 47 HB2 ARG 47 -2.998 8.778 13.608 380 HB3 ARG 47 HB3 ARG 47 -3.630 7.425 14.538 381 HG2 ARG 47 HG2 ARG 47 -2.846 5.900 12.739 382 HG3 ARG 47 HG3 ARG 47 -2.091 7.290 11.956 383 HD2 ARG 47 HD2 ARG 47 -0.408 7.386 13.458 384 HD3 ARG 47 HD3 ARG 47 -1.448 6.931 14.807 385 HE ARG 47 HE ARG 47 -0.798 4.763 14.514 386 HH11 ARG 47 HH11 ARG 47 -0.084 6.549 11.612 387 HH12 ARG 47 HH12 ARG 47 0.760 5.238 10.857 388 HH21 ARG 47 HH21 ARG 47 0.312 3.029 13.530 389 HH22 ARG 47 HH22 ARG 47 0.984 3.236 11.949 390 H VAL 48 H VAL 48 -6.487 9.695 12.953 391 HA VAL 48 HA VAL 48 -7.513 9.117 15.527 392 HB VAL 48 HB VAL 48 -8.823 10.710 13.320 393 HG11 VAL 48 HG11 VAL 48 -9.381 10.363 16.235 394 HG12 VAL 48 HG12 VAL 48 -9.767 11.890 15.439 395 HG13 VAL 48 HG13 VAL 48 -10.502 10.389 14.873 396 HG21 VAL 48 HG21 VAL 48 -6.771 11.761 13.643 397 HG22 VAL 48 HG22 VAL 48 -7.853 12.642 14.721 398 HG23 VAL 48 HG23 VAL 48 -6.760 11.422 15.374 399 H CYS 49 H CYS 49 -7.930 6.818 15.306 400 HA CYS 49 HA CYS 49 -10.619 6.188 15.051 401 HB2 CYS 49 HB2 CYS 49 -9.454 6.437 12.525 402 HB3 CYS 49 HB3 CYS 49 -9.519 4.702 12.813 403 HG CYS 49 HG CYS 49 -11.930 4.523 11.972 404 H GLU 50 H GLU 50 -10.533 3.533 14.216 405 HA GLU 50 HA GLU 50 -9.313 2.315 16.497 406 HB2 GLU 50 HB2 GLU 50 -11.485 1.607 15.374 407 HB3 GLU 50 HB3 GLU 50 -10.489 0.879 14.121 408 HG2 GLU 50 HG2 GLU 50 -11.265 -0.711 15.855 409 HG3 GLU 50 HG3 GLU 50 -9.513 -0.642 15.674 410 H VAL 51 H VAL 51 -7.174 3.343 15.539 411 HA VAL 51 HA VAL 51 -5.843 1.861 13.497 412 HB VAL 51 HB VAL 51 -3.795 3.045 14.295 413 HG11 VAL 51 HG11 VAL 51 -6.227 4.766 13.824 414 HG12 VAL 51 HG12 VAL 51 -4.552 5.285 13.633 415 HG13 VAL 51 HG13 VAL 51 -5.212 4.031 12.583 416 HG21 VAL 51 HG21 VAL 51 -4.950 5.000 15.958 417 HG22 VAL 51 HG22 VAL 51 -5.429 3.434 16.614 418 HG23 VAL 51 HG23 VAL 51 -3.721 3.808 16.380 419 H THR 52 H THR 52 -4.345 0.242 13.650 420 HA THR 52 HA THR 52 -3.537 -0.737 16.271 421 HB THR 52 HB THR 52 -4.314 -2.967 15.982 422 HG1 THR 52 HG1 THR 52 -5.313 -3.655 14.078 423 HG21 THR 52 HG21 THR 52 -6.512 -1.044 15.213 424 HG22 THR 52 HG22 THR 52 -6.010 -1.464 16.850 425 HG23 THR 52 HG23 THR 52 -6.764 -2.680 15.819 426 H TYR 53 H TYR 53 -2.184 0.486 14.000 427 HA TYR 53 HA TYR 53 -0.295 -1.692 13.411 428 HB2 TYR 53 HB2 TYR 53 0.057 -0.799 11.171 429 HB3 TYR 53 HB3 TYR 53 -1.642 -1.197 11.402 430 HD1 TYR 53 HD2 TYR 53 -3.117 0.837 12.276 431 HD2 TYR 53 HD1 TYR 53 0.572 1.226 10.192 432 HE1 TYR 53 HE2 TYR 53 -3.747 3.116 11.598 433 HE2 TYR 53 HE1 TYR 53 -0.047 3.506 9.509 434 HH TYR 53 HH TYR 53 -2.094 5.335 10.849 435 H ASP 54 H ASP 54 1.894 -0.949 12.918 436 HA ASP 54 HA ASP 54 2.623 1.275 14.642 437 HB2 ASP 54 HB2 ASP 54 3.998 -1.091 13.519 438 HB3 ASP 54 HB3 ASP 54 4.994 0.348 13.720 439 H LYS 55 H LYS 55 3.286 3.216 13.965 440 HA LYS 55 HA LYS 55 3.051 3.921 11.212 441 HB2 LYS 55 HB2 LYS 55 3.983 6.150 12.064 442 HB3 LYS 55 HB3 LYS 55 2.441 5.615 12.719 443 HG2 LYS 55 HG2 LYS 55 4.721 4.698 14.280 444 HG3 LYS 55 HG3 LYS 55 4.607 6.457 14.174 445 HD2 LYS 55 HD2 LYS 55 2.769 6.529 15.464 446 HD3 LYS 55 HD3 LYS 55 2.051 5.118 14.684 447 HE2 LYS 55 HE2 LYS 55 2.776 3.737 16.286 448 HE3 LYS 55 HE3 LYS 55 4.384 4.461 16.299 449 HZ1 LYS 55 HZ1 LYS 55 3.292 4.752 18.422 450 HZ2 LYS 55 HZ2 LYS 55 1.984 5.530 17.684 451 HZ3 LYS 55 HZ3 LYS 55 3.512 6.255 17.677 452 H THR 56 H THR 56 4.534 3.093 9.851 453 HA THR 56 HA THR 56 7.366 3.188 10.595 454 HB THR 56 HB THR 56 7.550 1.259 9.501 455 HG1 THR 56 HG1 THR 56 6.820 1.290 7.155 456 HG21 THR 56 HG21 THR 56 4.661 1.610 8.689 457 HG22 THR 56 HG22 THR 56 5.222 0.891 10.198 458 HG23 THR 56 HG23 THR 56 5.572 0.101 8.661 459 HA PRO 57 HA PRO 57 7.334 5.472 6.338 460 HB2 PRO 57 HB2 PRO 57 4.915 6.061 5.255 461 HB3 PRO 57 HB3 PRO 57 5.770 4.548 4.930 462 HG2 PRO 57 HG2 PRO 57 3.535 5.086 6.848 463 HG3 PRO 57 HG3 PRO 57 3.763 3.710 5.752 464 HD2 PRO 57 HD2 PRO 57 4.337 3.579 8.395 465 HD3 PRO 57 HD3 PRO 57 5.242 2.662 7.175 466 H LEU 58 H LEU 58 4.124 6.530 7.441 467 HA LEU 58 HA LEU 58 4.572 9.238 7.340 468 HB2 LEU 58 HB2 LEU 58 2.665 9.520 8.724 469 HB3 LEU 58 HB3 LEU 58 2.389 8.096 7.723 470 HG LEU 58 HG LEU 58 1.555 7.639 9.910 471 HD11 LEU 58 HD11 LEU 58 2.998 5.918 8.650 472 HD12 LEU 58 HD12 LEU 58 2.612 5.619 10.344 473 HD13 LEU 58 HD13 LEU 58 4.202 6.240 9.899 474 HD21 LEU 58 HD21 LEU 58 3.400 9.394 10.827 475 HD22 LEU 58 HD22 LEU 58 4.131 7.864 11.309 476 HD23 LEU 58 HD23 LEU 58 2.502 8.272 11.849 477 H GLU 59 H GLU 59 5.840 6.981 9.578 478 HA GLU 59 HA GLU 59 6.296 8.762 11.754 479 HB2 GLU 59 HB2 GLU 59 6.299 6.467 12.296 480 HB3 GLU 59 HB3 GLU 59 7.412 6.075 10.993 481 HG2 GLU 59 HG2 GLU 59 8.526 5.928 13.129 482 HG3 GLU 59 HG3 GLU 59 9.204 7.245 12.174 483 H LYS 60 H LYS 60 8.395 7.497 9.175 484 HA LYS 60 HA LYS 60 10.580 9.210 9.940 485 HB2 LYS 60 HB2 LYS 60 10.320 7.669 7.361 486 HB3 LYS 60 HB3 LYS 60 11.795 8.199 8.158 487 HG2 LYS 60 HG2 LYS 60 9.896 6.088 9.160 488 HG3 LYS 60 HG3 LYS 60 11.479 5.813 8.429 489 HD2 LYS 60 HD2 LYS 60 12.581 6.896 10.264 490 HD3 LYS 60 HD3 LYS 60 11.038 7.411 10.948 491 HE2 LYS 60 HE2 LYS 60 11.053 5.548 12.163 492 HE3 LYS 60 HE3 LYS 60 10.815 4.648 10.666 493 HZ1 LYS 60 HZ1 LYS 60 13.296 4.666 10.439 494 HZ2 LYS 60 HZ2 LYS 60 12.700 3.736 11.719 495 HZ3 LYS 60 HZ3 LYS 60 13.378 5.256 12.023 496 H ASP 61 H ASP 61 7.780 9.565 8.078 497 HA ASP 61 HA ASP 61 8.808 11.459 6.180 498 HB2 ASP 61 HB2 ASP 61 6.273 10.141 6.718 499 HB3 ASP 61 HB3 ASP 61 6.053 11.848 6.343 500 H GLY 62 H GLY 62 8.378 11.653 9.426 501 HA2 GLY 62 HA2 GLY 62 8.453 13.447 10.866 502 HA3 GLY 62 HA3 GLY 62 8.625 14.490 9.463 503 H ILE 63 H ILE 63 5.932 12.296 9.858 504 HA ILE 63 HA ILE 63 4.151 14.624 10.034 505 HB ILE 63 HB ILE 63 3.597 11.793 9.147 506 HG12 ILE 63 HG12 ILE 63 3.243 14.283 7.507 507 HG13 ILE 63 HG13 ILE 63 4.831 13.539 7.655 508 HG21 ILE 63 HG21 ILE 63 1.667 12.640 10.328 509 HG22 ILE 63 HG22 ILE 63 1.716 14.135 9.396 510 HG23 ILE 63 HG23 ILE 63 1.334 12.610 8.596 511 HD11 ILE 63 HD11 ILE 63 2.482 12.689 6.133 512 HD12 ILE 63 HD12 ILE 63 4.197 12.388 5.848 513 HD13 ILE 63 HD13 ILE 63 3.307 11.396 7.003 514 H THR 64 H THR 64 2.877 14.954 11.754 515 HA THR 64 HA THR 64 3.310 13.562 14.164 516 HB THR 64 HB THR 64 1.260 15.588 13.311 517 HG1 THR 64 HG1 THR 64 3.428 15.561 15.161 518 HG21 THR 64 HG21 THR 64 0.060 14.184 14.854 519 HG22 THR 64 HG22 THR 64 0.527 15.662 15.696 520 HG23 THR 64 HG23 THR 64 1.424 14.169 15.970 521 H VAL 65 H VAL 65 2.452 11.750 14.940 522 HA VAL 65 HA VAL 65 0.425 10.356 13.422 523 HB VAL 65 HB VAL 65 1.916 8.794 14.156 524 HG11 VAL 65 HG11 VAL 65 3.465 10.018 15.367 525 HG12 VAL 65 HG12 VAL 65 2.266 10.572 16.537 526 HG13 VAL 65 HG13 VAL 65 2.834 8.903 16.578 527 HG21 VAL 65 HG21 VAL 65 0.473 8.625 16.733 528 HG22 VAL 65 HG22 VAL 65 -0.509 8.589 15.269 529 HG23 VAL 65 HG23 VAL 65 0.760 7.388 15.509 530 H VAL 66 H VAL 66 -1.640 10.886 13.696 531 HA VAL 66 HA VAL 66 -2.573 11.659 16.375 532 HB VAL 66 HB VAL 66 -4.115 11.992 13.809 533 HG11 VAL 66 HG11 VAL 66 -5.513 13.410 15.006 534 HG12 VAL 66 HG12 VAL 66 -5.160 12.129 16.168 535 HG13 VAL 66 HG13 VAL 66 -4.319 13.676 16.276 536 HG21 VAL 66 HG21 VAL 66 -3.307 14.305 13.740 537 HG22 VAL 66 HG22 VAL 66 -2.229 13.967 15.094 538 HG23 VAL 66 HG23 VAL 66 -1.988 13.150 13.549 539 H ASP 67 H ASP 67 -2.790 9.567 17.223 540 HA ASP 67 HA ASP 67 -4.861 7.897 15.961 541 HB2 ASP 67 HB2 ASP 67 -3.841 6.140 17.617 542 HB3 ASP 67 HB3 ASP 67 -3.014 6.506 16.105 543 H TRP 68 H TRP 68 -6.784 7.942 16.895 544 HA TRP 68 HA TRP 68 -6.979 8.034 19.805 545 HB2 TRP 68 HB2 TRP 68 -8.544 9.942 18.056 546 HB3 TRP 68 HB3 TRP 68 -8.587 9.843 19.814 547 HD1 TRP 68 HD1 TRP 68 -7.173 11.928 17.243 548 HE1 TRP 68 HE1 TRP 68 -5.114 13.228 18.078 549 HE3 TRP 68 HE3 TRP 68 -6.208 9.270 21.502 550 HZ2 TRP 68 HZ2 TRP 68 -3.319 13.138 20.254 551 HZ3 TRP 68 HZ3 TRP 68 -4.301 9.941 22.905 552 HH2 TRP 68 HH2 TRP 68 -2.887 11.835 22.292 553 HA PRO 69 HA PRO 69 -10.168 5.086 19.137 554 HB2 PRO 69 HB2 PRO 69 -11.619 5.431 21.406 555 HB3 PRO 69 HB3 PRO 69 -10.038 4.640 21.388 556 HG2 PRO 69 HG2 PRO 69 -10.739 7.457 22.119 557 HG3 PRO 69 HG3 PRO 69 -9.626 6.336 22.924 558 HD2 PRO 69 HD2 PRO 69 -8.770 8.298 21.265 559 HD3 PRO 69 HD3 PRO 69 -7.928 6.742 21.419 560 H PHE 70 H PHE 70 -10.566 8.132 18.433 561 HA PHE 70 HA PHE 70 -13.174 8.914 18.811 562 HB2 PHE 70 HB2 PHE 70 -11.281 9.333 16.511 563 HB3 PHE 70 HB3 PHE 70 -12.903 10.018 16.490 564 HD1 PHE 70 HD2 PHE 70 -10.746 9.657 19.466 565 HD2 PHE 70 HD1 PHE 70 -12.370 12.308 16.559 566 HE1 PHE 70 HE2 PHE 70 -9.948 11.579 20.778 567 HE2 PHE 70 HE1 PHE 70 -11.573 14.234 17.866 568 HZ PHE 70 HZ PHE 70 -10.361 13.871 19.979 569 H ASP 71 H ASP 71 -11.969 6.354 16.835 570 HA ASP 71 HA ASP 71 -13.927 6.045 14.918 571 HB2 ASP 71 HB2 ASP 71 -11.819 4.665 15.225 572 HB3 ASP 71 HB3 ASP 71 -12.704 3.738 16.433 573 H ASP 72 H ASP 72 -13.885 4.124 17.920 574 HA ASP 72 HA ASP 72 -16.594 3.370 17.723 575 HB2 ASP 72 HB2 ASP 72 -14.481 2.564 19.250 576 HB3 ASP 72 HB3 ASP 72 -15.450 3.434 20.437 577 H GLY 73 H GLY 73 -17.696 3.799 20.223 578 HA2 GLY 73 HA2 GLY 73 -18.810 6.396 19.887 579 HA3 GLY 73 HA3 GLY 73 -19.126 5.298 21.223 580 H ALA 74 H ALA 74 -15.943 5.409 21.328 581 HA ALA 74 HA ALA 74 -14.381 6.493 22.580 582 HB1 ALA 74 HB1 ALA 74 -15.946 8.603 21.368 583 HB2 ALA 74 HB2 ALA 74 -15.285 9.091 22.929 584 HB3 ALA 74 HB3 ALA 74 -14.209 8.510 21.658 585 HA PRO 75 HA PRO 75 -15.641 6.546 26.783 586 HB2 PRO 75 HB2 PRO 75 -14.102 8.476 27.914 587 HB3 PRO 75 HB3 PRO 75 -13.453 6.922 27.378 588 HG2 PRO 75 HG2 PRO 75 -13.397 9.576 25.995 589 HG3 PRO 75 HG3 PRO 75 -12.108 8.368 26.150 590 HD2 PRO 75 HD2 PRO 75 -13.599 8.629 23.904 591 HD3 PRO 75 HD3 PRO 75 -12.952 7.066 24.445 592 HA PRO 76 HA PRO 76 -18.850 9.657 26.897 593 HB2 PRO 76 HB2 PRO 76 -20.126 8.647 29.070 594 HB3 PRO 76 HB3 PRO 76 -20.279 7.947 27.454 595 HG2 PRO 76 HG2 PRO 76 -18.555 7.075 29.740 596 HG3 PRO 76 HG3 PRO 76 -19.526 6.089 28.631 597 HD2 PRO 76 HD2 PRO 76 -16.849 6.389 28.352 598 HD3 PRO 76 HD3 PRO 76 -17.936 6.174 26.964 599 HA PRO 77 HA PRO 77 -17.343 10.810 31.408 600 HB2 PRO 77 HB2 PRO 77 -14.766 10.091 31.871 601 HB3 PRO 77 HB3 PRO 77 -16.141 9.068 32.302 602 HG2 PRO 77 HG2 PRO 77 -14.339 8.914 29.917 603 HG3 PRO 77 HG3 PRO 77 -14.957 7.603 30.938 604 HD2 PRO 77 HD2 PRO 77 -16.036 8.203 28.528 605 HD3 PRO 77 HD3 PRO 77 -17.002 7.569 29.876 606 H GLY 78 H GLY 78 -16.011 11.116 28.345 607 HA2 GLY 78 HA2 GLY 78 -15.235 13.047 27.315 608 HA3 GLY 78 HA3 GLY 78 -15.183 13.830 28.887 609 H LYS 79 H LYS 79 -13.603 10.831 27.860 610 HA LYS 79 HA LYS 79 -11.075 11.836 28.864 611 HB2 LYS 79 HB2 LYS 79 -12.250 9.320 28.724 612 HB3 LYS 79 HB3 LYS 79 -10.971 9.256 27.518 613 HG2 LYS 79 HG2 LYS 79 -10.174 8.456 29.660 614 HG3 LYS 79 HG3 LYS 79 -9.344 9.947 29.207 615 HD2 LYS 79 HD2 LYS 79 -10.344 11.166 30.863 616 HD3 LYS 79 HD3 LYS 79 -11.800 10.168 30.867 617 HE2 LYS 79 HE2 LYS 79 -10.399 9.942 32.916 618 HE3 LYS 79 HE3 LYS 79 -10.681 8.425 32.063 619 HZ1 LYS 79 HZ1 LYS 79 -8.494 8.573 31.096 620 HZ2 LYS 79 HZ2 LYS 79 -8.369 8.685 32.779 621 HZ3 LYS 79 HZ3 LYS 79 -8.223 10.075 31.826 622 H VAL 80 H VAL 80 -12.689 11.520 25.856 623 HA VAL 80 HA VAL 80 -10.352 11.429 24.199 624 HB VAL 80 HB VAL 80 -13.258 11.565 23.773 625 HG11 VAL 80 HG11 VAL 80 -11.343 12.944 21.910 626 HG12 VAL 80 HG12 VAL 80 -12.906 12.321 21.378 627 HG13 VAL 80 HG13 VAL 80 -12.830 13.576 22.616 628 HG21 VAL 80 HG21 VAL 80 -11.410 9.678 23.423 629 HG22 VAL 80 HG22 VAL 80 -12.879 9.755 22.449 630 HG23 VAL 80 HG23 VAL 80 -11.365 10.398 21.813 631 H VAL 81 H VAL 81 -12.363 13.936 25.576 632 HA VAL 81 HA VAL 81 -11.772 16.121 24.016 633 HB VAL 81 HB VAL 81 -12.310 17.512 25.844 634 HG11 VAL 81 HG11 VAL 81 -14.011 15.697 25.065 635 HG12 VAL 81 HG12 VAL 81 -13.762 15.040 26.685 636 HG13 VAL 81 HG13 VAL 81 -14.367 16.685 26.482 637 HG21 VAL 81 HG21 VAL 81 -11.396 15.232 27.583 638 HG22 VAL 81 HG22 VAL 81 -10.723 16.859 27.479 639 HG23 VAL 81 HG23 VAL 81 -12.312 16.607 28.202 640 H GLU 82 H GLU 82 -9.820 14.720 26.619 641 HA GLU 82 HA GLU 82 -7.824 16.640 26.776 642 HB2 GLU 82 HB2 GLU 82 -6.589 15.093 27.976 643 HB3 GLU 82 HB3 GLU 82 -8.222 14.470 28.163 644 HG2 GLU 82 HG2 GLU 82 -7.791 12.900 26.301 645 HG3 GLU 82 HG3 GLU 82 -6.125 13.476 26.248 646 H ASP 83 H ASP 83 -8.046 13.823 24.632 647 HA ASP 83 HA ASP 83 -5.559 14.303 23.335 648 HB2 ASP 83 HB2 ASP 83 -7.904 12.750 22.233 649 HB3 ASP 83 HB3 ASP 83 -6.205 12.570 21.805 650 H TRP 84 H TRP 84 -8.882 15.251 22.703 651 HA TRP 84 HA TRP 84 -8.721 16.142 20.102 652 HB2 TRP 84 HB2 TRP 84 -10.588 16.307 22.136 653 HB3 TRP 84 HB3 TRP 84 -10.204 17.994 21.807 654 HD1 TRP 84 HD1 TRP 84 -12.689 15.646 20.853 655 HE1 TRP 84 HE1 TRP 84 -13.654 16.108 18.512 656 HE3 TRP 84 HE3 TRP 84 -9.062 18.785 19.087 657 HZ2 TRP 84 HZ2 TRP 84 -12.967 17.606 16.220 658 HZ3 TRP 84 HZ3 TRP 84 -9.291 19.689 16.809 659 HH2 TRP 84 HH2 TRP 84 -11.204 19.110 15.407 660 H LEU 85 H LEU 85 -8.429 18.309 22.923 661 HA LEU 85 HA LEU 85 -7.360 20.463 21.479 662 HB2 LEU 85 HB2 LEU 85 -7.125 19.771 24.403 663 HB3 LEU 85 HB3 LEU 85 -6.650 21.317 23.704 664 HG LEU 85 HG LEU 85 -9.293 20.330 24.472 665 HD11 LEU 85 HD11 LEU 85 -9.402 22.367 25.358 666 HD12 LEU 85 HD12 LEU 85 -8.999 23.140 23.825 667 HD13 LEU 85 HD13 LEU 85 -7.714 22.562 24.886 668 HD21 LEU 85 HD21 LEU 85 -9.708 20.119 22.145 669 HD22 LEU 85 HD22 LEU 85 -8.874 21.631 21.789 670 HD23 LEU 85 HD23 LEU 85 -10.413 21.654 22.650 671 H SER 86 H SER 86 -5.822 17.769 23.142 672 HA SER 86 HA SER 86 -3.189 18.648 23.170 673 HB2 SER 86 HB2 SER 86 -4.535 16.010 23.216 674 HB3 SER 86 HB3 SER 86 -2.837 16.001 22.743 675 HG SER 86 HG SER 86 -2.325 16.354 24.742 676 H LEU 87 H LEU 87 -4.665 16.514 20.717 677 HA LEU 87 HA LEU 87 -2.590 16.436 18.917 678 HB2 LEU 87 HB2 LEU 87 -4.239 15.029 18.269 679 HB3 LEU 87 HB3 LEU 87 -5.521 16.140 18.745 680 HG LEU 87 HG LEU 87 -4.997 17.465 16.669 681 HD11 LEU 87 HD11 LEU 87 -3.074 15.229 16.364 682 HD12 LEU 87 HD12 LEU 87 -2.938 16.918 15.877 683 HD13 LEU 87 HD13 LEU 87 -3.905 15.799 14.917 684 HD21 LEU 87 HD21 LEU 87 -6.899 16.336 16.258 685 HD22 LEU 87 HD22 LEU 87 -6.243 14.806 16.843 686 HD23 LEU 87 HD23 LEU 87 -5.870 15.360 15.210 687 H VAL 88 H VAL 88 -5.292 18.761 18.915 688 HA VAL 88 HA VAL 88 -4.490 20.304 16.752 689 HB VAL 88 HB VAL 88 -5.814 21.417 19.223 690 HG11 VAL 88 HG11 VAL 88 -6.664 23.102 17.850 691 HG12 VAL 88 HG12 VAL 88 -4.997 22.913 17.301 692 HG13 VAL 88 HG13 VAL 88 -6.319 22.202 16.373 693 HG21 VAL 88 HG21 VAL 88 -7.749 20.751 17.293 694 HG22 VAL 88 HG22 VAL 88 -6.724 19.329 17.486 695 HG23 VAL 88 HG23 VAL 88 -7.524 20.037 18.890 696 H LYS 89 H LYS 89 -3.894 20.995 20.202 697 HA LYS 89 HA LYS 89 -2.267 23.210 19.886 698 HB2 LYS 89 HB2 LYS 89 -2.839 21.289 22.000 699 HB3 LYS 89 HB3 LYS 89 -1.187 21.889 22.079 700 HG2 LYS 89 HG2 LYS 89 -2.028 23.609 23.208 701 HG3 LYS 89 HG3 LYS 89 -2.652 24.176 21.657 702 HD2 LYS 89 HD2 LYS 89 -4.764 23.081 22.056 703 HD3 LYS 89 HD3 LYS 89 -4.144 22.347 23.537 704 HE2 LYS 89 HE2 LYS 89 -5.619 24.475 23.689 705 HE3 LYS 89 HE3 LYS 89 -4.178 24.348 24.697 706 HZ1 LYS 89 HZ1 LYS 89 -3.008 25.809 23.320 707 HZ2 LYS 89 HZ2 LYS 89 -4.537 26.516 23.472 708 HZ3 LYS 89 HZ3 LYS 89 -4.127 25.683 22.058 709 H ALA 90 H ALA 90 -1.582 19.902 19.230 710 HA ALA 90 HA ALA 90 1.297 20.260 19.252 711 HB1 ALA 90 HB1 ALA 90 0.188 18.128 19.951 712 HB2 ALA 90 HB2 ALA 90 -0.256 17.878 18.262 713 HB3 ALA 90 HB3 ALA 90 1.444 17.940 18.727 714 H LYS 91 H LYS 91 -0.999 19.116 16.769 715 HA LYS 91 HA LYS 91 0.628 19.326 14.568 716 HB2 LYS 91 HB2 LYS 91 -1.591 19.854 13.326 717 HB3 LYS 91 HB3 LYS 91 -1.422 18.313 14.155 718 HG2 LYS 91 HG2 LYS 91 -3.270 18.748 15.286 719 HG3 LYS 91 HG3 LYS 91 -2.469 20.134 16.032 720 HD2 LYS 91 HD2 LYS 91 -3.553 20.468 13.285 721 HD3 LYS 91 HD3 LYS 91 -4.704 20.388 14.621 722 HE2 LYS 91 HE2 LYS 91 -2.965 22.121 15.670 723 HE3 LYS 91 HE3 LYS 91 -2.684 22.456 13.962 724 HZ1 LYS 91 HZ1 LYS 91 -4.628 23.499 13.788 725 HZ2 LYS 91 HZ2 LYS 91 -4.667 23.520 15.478 726 HZ3 LYS 91 HZ3 LYS 91 -5.469 22.296 14.629 727 H PHE 92 H PHE 92 -1.216 21.874 16.159 728 HA PHE 92 HA PHE 92 -0.542 23.855 14.184 729 HB2 PHE 92 HB2 PHE 92 -2.538 24.430 15.166 730 HB3 PHE 92 HB3 PHE 92 -2.063 23.810 16.744 731 HD1 PHE 92 HD1 PHE 92 -1.837 26.657 14.440 732 HD2 PHE 92 HD2 PHE 92 -0.942 25.195 18.336 733 HE1 PHE 92 HE1 PHE 92 -1.330 28.948 15.179 734 HE2 PHE 92 HE2 PHE 92 -0.434 27.484 19.082 735 HZ PHE 92 HZ PHE 92 -0.628 29.364 17.503 736 H CYS 93 H CYS 93 0.859 22.627 17.085 737 HA CYS 93 HA CYS 93 2.582 24.927 17.479 738 HB2 CYS 93 HB2 CYS 93 1.854 23.860 19.485 739 HB3 CYS 93 HB3 CYS 93 2.328 22.273 18.891 740 HG CYS 93 HG CYS 93 3.971 23.711 20.996 741 H GLU 94 H GLU 94 2.647 21.889 15.856 742 HA GLU 94 HA GLU 94 5.552 21.898 15.613 743 HB2 GLU 94 HB2 GLU 94 5.287 19.751 14.501 744 HB3 GLU 94 HB3 GLU 94 4.394 19.763 16.015 745 HG2 GLU 94 HG2 GLU 94 2.525 19.236 14.964 746 HG3 GLU 94 HG3 GLU 94 2.679 20.643 13.913 747 H ALA 95 H ALA 95 2.746 22.843 13.860 748 HA ALA 95 HA ALA 95 4.448 23.593 11.583 749 HB1 ALA 95 HB1 ALA 95 2.300 23.139 10.184 750 HB2 ALA 95 HB2 ALA 95 3.364 21.801 10.620 751 HB3 ALA 95 HB3 ALA 95 1.877 22.076 11.527 752 HA PRO 96 HA PRO 96 2.638 27.581 11.854 753 HB2 PRO 96 HB2 PRO 96 2.501 28.318 9.245 754 HB3 PRO 96 HB3 PRO 96 4.025 28.214 10.135 755 HG2 PRO 96 HG2 PRO 96 2.796 26.244 8.245 756 HG3 PRO 96 HG3 PRO 96 4.485 26.769 8.372 757 HD2 PRO 96 HD2 PRO 96 3.603 24.431 9.416 758 HD3 PRO 96 HD3 PRO 96 4.917 25.371 10.153 759 H GLY 97 H GLY 97 0.813 25.119 11.395 760 HA2 GLY 97 HA2 GLY 97 -1.545 25.159 11.625 761 HA3 GLY 97 HA3 GLY 97 -1.572 26.720 10.818 762 H SER 98 H SER 98 0.310 24.135 9.481 763 HA SER 98 HA SER 98 -0.710 24.269 6.941 764 HB2 SER 98 HB2 SER 98 0.802 22.243 8.474 765 HB3 SER 98 HB3 SER 98 -0.031 21.641 7.040 766 HG SER 98 HG SER 98 1.027 23.682 6.084 767 H CYS 99 H CYS 99 -1.271 21.165 8.430 768 HA CYS 99 HA CYS 99 -4.120 21.431 8.569 769 HB2 CYS 99 HB2 CYS 99 -2.830 20.228 6.171 770 HB3 CYS 99 HB3 CYS 99 -4.258 19.425 6.812 771 HG CYS 99 HG CYS 99 -5.280 20.934 4.816 772 H VAL 100 H VAL 100 -5.172 19.401 9.217 773 HA VAL 100 HA VAL 100 -3.291 17.471 10.405 774 HB VAL 100 HB VAL 100 -5.600 17.581 12.043 775 HG11 VAL 100 HG11 VAL 100 -3.361 16.869 12.723 776 HG12 VAL 100 HG12 VAL 100 -2.782 18.527 12.556 777 HG13 VAL 100 HG13 VAL 100 -3.984 18.131 13.785 778 HG21 VAL 100 HG21 VAL 100 -6.048 19.808 11.238 779 HG22 VAL 100 HG22 VAL 100 -5.433 19.905 12.888 780 HG23 VAL 100 HG23 VAL 100 -4.376 20.289 11.530 781 H ALA 101 H ALA 101 -3.625 15.627 9.345 782 HA ALA 101 HA ALA 101 -6.198 14.952 8.230 783 HB1 ALA 101 HB1 ALA 101 -4.071 12.906 8.314 784 HB2 ALA 101 HB2 ALA 101 -5.098 13.426 6.977 785 HB3 ALA 101 HB3 ALA 101 -3.697 14.391 7.439 786 H VAL 102 H VAL 102 -7.763 13.954 9.298 787 HA VAL 102 HA VAL 102 -7.055 12.017 11.390 788 HB VAL 102 HB VAL 102 -8.872 12.820 12.818 789 HG11 VAL 102 HG11 VAL 102 -7.115 15.166 12.154 790 HG12 VAL 102 HG12 VAL 102 -7.756 14.684 13.726 791 HG13 VAL 102 HG13 VAL 102 -6.499 13.719 12.951 792 HG21 VAL 102 HG21 VAL 102 -9.131 15.105 10.867 793 HG22 VAL 102 HG22 VAL 102 -10.270 13.766 11.010 794 HG23 VAL 102 HG23 VAL 102 -10.046 14.881 12.358 795 H HIS 103 H HIS 103 -8.459 10.288 11.625 796 HA HIS 103 HA HIS 103 -10.082 9.704 9.315 797 HB2 HIS 103 HB2 HIS 103 -8.752 8.201 11.362 798 HB3 HIS 103 HB3 HIS 103 -10.442 7.712 11.298 799 HD1 HIS 103 HD1 HIS 103 -7.827 6.077 10.317 800 HD2 HIS 103 HD2 HIS 103 -10.663 7.975 7.948 801 HE1 HIS 103 HE1 HIS 103 -7.710 4.932 8.081 802 H CYS 104 H CYS 104 -12.250 9.735 9.159 803 HA CYS 104 HA CYS 104 -13.910 9.845 11.534 804 HB2 CYS 104 HB2 CYS 104 -13.201 12.224 10.977 805 HB3 CYS 104 HB3 CYS 104 -14.142 12.060 9.500 806 HG CYS 104 HG CYS 104 -15.588 11.531 12.539 807 H VAL 105 H VAL 105 -16.115 9.404 11.126 808 HA VAL 105 HA VAL 105 -16.539 7.815 8.752 809 HB VAL 105 HB VAL 105 -18.650 7.174 9.744 810 HG11 VAL 105 HG11 VAL 105 -17.828 6.269 11.917 811 HG12 VAL 105 HG12 VAL 105 -16.741 5.976 10.558 812 HG13 VAL 105 HG13 VAL 105 -16.377 7.251 11.721 813 HG21 VAL 105 HG21 VAL 105 -18.724 8.324 12.260 814 HG22 VAL 105 HG22 VAL 105 -18.307 9.665 11.193 815 HG23 VAL 105 HG23 VAL 105 -19.768 8.723 10.897 816 H ALA 106 H ALA 106 -19.335 8.204 8.475 817 HA ALA 106 HA ALA 106 -19.437 10.163 6.504 818 HB1 ALA 106 HB1 ALA 106 -22.033 9.756 7.689 819 HB2 ALA 106 HB2 ALA 106 -21.428 9.259 6.108 820 HB3 ALA 106 HB3 ALA 106 -21.169 8.228 7.514 821 H GLY 107 H GLY 107 -19.837 10.422 9.944 822 HA2 GLY 107 HA2 GLY 107 -19.389 12.696 10.821 823 HA3 GLY 107 HA3 GLY 107 -20.512 13.279 9.602 824 H LEU 108 H LEU 108 -22.699 13.176 9.970 825 HA LEU 108 HA LEU 108 -24.510 13.419 11.364 826 HB2 LEU 108 HB2 LEU 108 -23.622 10.577 11.529 827 HB3 LEU 108 HB3 LEU 108 -24.971 11.114 12.528 828 HG LEU 108 HG LEU 108 -24.845 11.229 9.515 829 HD11 LEU 108 HD11 LEU 108 -26.506 9.481 11.323 830 HD12 LEU 108 HD12 LEU 108 -25.067 8.955 10.451 831 HD13 LEU 108 HD13 LEU 108 -26.497 9.475 9.559 832 HD21 LEU 108 HD21 LEU 108 -26.526 12.671 9.605 833 HD22 LEU 108 HD22 LEU 108 -26.423 12.694 11.366 834 HD23 LEU 108 HD23 LEU 108 -27.467 11.523 10.558 835 H GLY 109 H GLY 109 -22.736 11.141 13.420 836 HA2 GLY 109 HA2 GLY 109 -23.204 12.879 15.706 837 HA3 GLY 109 HA3 GLY 109 -22.568 11.241 15.752 838 H ARG 110 H ARG 110 -20.334 10.900 15.272 839 HA ARG 110 HA ARG 110 -18.511 12.358 16.568 840 HB2 ARG 110 HB2 ARG 110 -18.334 10.653 14.149 841 HB3 ARG 110 HB3 ARG 110 -16.938 11.665 14.497 842 HG2 ARG 110 HG2 ARG 110 -16.373 9.762 15.623 843 HG3 ARG 110 HG3 ARG 110 -17.196 10.657 16.902 844 HD2 ARG 110 HD2 ARG 110 -18.964 9.007 15.248 845 HD3 ARG 110 HD3 ARG 110 -17.763 8.093 16.160 846 HE ARG 110 HE ARG 110 -18.851 9.846 17.965 847 HH11 ARG 110 HH11 ARG 110 -20.066 7.346 15.868 848 HH12 ARG 110 HH12 ARG 110 -21.387 6.933 16.909 849 HH21 ARG 110 HH21 ARG 110 -20.587 9.311 19.345 850 HH22 ARG 110 HH22 ARG 110 -21.683 8.052 18.886 851 H ALA 111 H ALA 111 -19.628 13.046 13.286 852 HA ALA 111 HA ALA 111 -17.920 14.999 12.458 853 HB1 ALA 111 HB1 ALA 111 -20.260 16.066 11.619 854 HB2 ALA 111 HB2 ALA 111 -19.455 14.702 10.841 855 HB3 ALA 111 HB3 ALA 111 -20.762 14.416 11.990 856 HA PRO 112 HA PRO 112 -20.190 18.596 14.626 857 HB2 PRO 112 HB2 PRO 112 -22.524 18.094 15.918 858 HB3 PRO 112 HB3 PRO 112 -22.442 18.469 14.192 859 HG2 PRO 112 HG2 PRO 112 -22.686 15.809 15.544 860 HG3 PRO 112 HG3 PRO 112 -23.534 16.417 14.110 861 HD2 PRO 112 HD2 PRO 112 -21.412 14.744 13.946 862 HD3 PRO 112 HD3 PRO 112 -21.754 15.976 12.714 863 H VAL 113 H VAL 113 -20.436 15.501 16.287 864 HA VAL 113 HA VAL 113 -20.341 16.425 18.934 865 HB VAL 113 HB VAL 113 -19.459 13.828 17.690 866 HG11 VAL 113 HG11 VAL 113 -19.367 14.663 20.580 867 HG12 VAL 113 HG12 VAL 113 -19.379 12.976 20.062 868 HG13 VAL 113 HG13 VAL 113 -18.052 14.037 19.587 869 HG21 VAL 113 HG21 VAL 113 -21.746 13.793 17.667 870 HG22 VAL 113 HG22 VAL 113 -21.451 13.142 19.279 871 HG23 VAL 113 HG23 VAL 113 -21.888 14.839 19.080 872 H LEU 114 H LEU 114 -17.693 15.252 16.852 873 HA LEU 114 HA LEU 114 -15.632 15.840 18.687 874 HB2 LEU 114 HB2 LEU 114 -15.779 15.214 15.784 875 HB3 LEU 114 HB3 LEU 114 -14.278 15.884 16.418 876 HG LEU 114 HG LEU 114 -13.662 13.927 17.294 877 HD11 LEU 114 HD11 LEU 114 -15.050 14.085 19.204 878 HD12 LEU 114 HD12 LEU 114 -15.265 12.457 18.561 879 HD13 LEU 114 HD13 LEU 114 -16.495 13.687 18.274 880 HD21 LEU 114 HD21 LEU 114 -14.352 13.125 15.145 881 HD22 LEU 114 HD22 LEU 114 -16.026 12.976 15.683 882 HD23 LEU 114 HD23 LEU 114 -14.786 11.914 16.352 883 H VAL 115 H VAL 115 -16.561 17.549 15.694 884 HA VAL 115 HA VAL 115 -14.889 19.730 15.918 885 HB VAL 115 HB VAL 115 -16.381 20.936 14.471 886 HG11 VAL 115 HG11 VAL 115 -15.606 19.564 12.902 887 HG12 VAL 115 HG12 VAL 115 -15.651 18.184 14.001 888 HG13 VAL 115 HG13 VAL 115 -17.090 18.628 13.082 889 HG21 VAL 115 HG21 VAL 115 -18.437 18.982 15.450 890 HG22 VAL 115 HG22 VAL 115 -18.493 20.744 15.464 891 HG23 VAL 115 HG23 VAL 115 -18.647 19.869 13.940 892 H ALA 116 H ALA 116 -17.949 19.123 17.531 893 HA ALA 116 HA ALA 116 -18.383 21.716 18.545 894 HB1 ALA 116 HB1 ALA 116 -19.338 18.992 19.334 895 HB2 ALA 116 HB2 ALA 116 -19.722 20.401 20.323 896 HB3 ALA 116 HB3 ALA 116 -20.244 20.337 18.640 897 H LEU 117 H LEU 117 -16.786 18.875 19.965 898 HA LEU 117 HA LEU 117 -16.209 19.898 22.472 899 HB2 LEU 117 HB2 LEU 117 -15.843 17.552 21.629 900 HB3 LEU 117 HB3 LEU 117 -14.358 18.137 20.881 901 HG LEU 117 HG LEU 117 -14.078 16.938 23.071 902 HD11 LEU 117 HD11 LEU 117 -13.120 19.780 23.215 903 HD12 LEU 117 HD12 LEU 117 -12.480 18.631 22.041 904 HD13 LEU 117 HD13 LEU 117 -12.311 18.313 23.767 905 HD21 LEU 117 HD21 LEU 117 -14.586 18.152 25.113 906 HD22 LEU 117 HD22 LEU 117 -16.059 17.861 24.187 907 HD23 LEU 117 HD23 LEU 117 -15.311 19.459 24.177 908 H ALA 118 H ALA 118 -14.139 19.990 19.572 909 HA ALA 118 HA ALA 118 -12.142 21.613 20.775 910 HB1 ALA 118 HB1 ALA 118 -11.974 20.081 18.706 911 HB2 ALA 118 HB2 ALA 118 -12.583 21.477 17.816 912 HB3 ALA 118 HB3 ALA 118 -11.071 21.595 18.715 913 H LEU 119 H LEU 119 -15.064 22.287 18.964 914 HA LEU 119 HA LEU 119 -14.557 24.981 18.337 915 HB2 LEU 119 HB2 LEU 119 -16.328 24.033 17.181 916 HB3 LEU 119 HB3 LEU 119 -17.028 23.327 18.637 917 HG LEU 119 HG LEU 119 -17.870 25.472 19.333 918 HD11 LEU 119 HD11 LEU 119 -17.542 27.229 17.263 919 HD12 LEU 119 HD12 LEU 119 -15.963 26.449 17.351 920 HD13 LEU 119 HD13 LEU 119 -16.633 27.246 18.774 921 HD21 LEU 119 HD21 LEU 119 -19.176 24.128 17.706 922 HD22 LEU 119 HD22 LEU 119 -18.469 25.084 16.404 923 HD23 LEU 119 HD23 LEU 119 -19.498 25.860 17.609 924 H ILE 120 H ILE 120 -16.021 23.454 21.167 925 HA ILE 120 HA ILE 120 -16.785 25.861 22.454 926 HB ILE 120 HB ILE 120 -16.587 23.014 23.225 927 HG12 ILE 120 HG12 ILE 120 -18.833 23.472 24.107 928 HG13 ILE 120 HG13 ILE 120 -18.612 25.190 23.795 929 HG21 ILE 120 HG21 ILE 120 -15.345 23.819 25.057 930 HG22 ILE 120 HG22 ILE 120 -16.359 25.252 25.216 931 HG23 ILE 120 HG23 ILE 120 -17.001 23.666 25.644 932 HD11 ILE 120 HD11 ILE 120 -19.995 24.089 22.100 933 HD12 ILE 120 HD12 ILE 120 -18.520 24.775 21.418 934 HD13 ILE 120 HD13 ILE 120 -18.639 23.038 21.694 935 H GLU 121 H GLU 121 -13.984 23.708 22.905 936 HA GLU 121 HA GLU 121 -12.731 25.217 24.910 937 HB2 GLU 121 HB2 GLU 121 -11.397 23.469 22.836 938 HB3 GLU 121 HB3 GLU 121 -10.723 23.951 24.386 939 HG2 GLU 121 HG2 GLU 121 -13.291 22.428 24.258 940 HG3 GLU 121 HG3 GLU 121 -11.742 21.597 24.125 941 H SER 122 H SER 122 -12.956 25.686 21.502 942 HA SER 122 HA SER 122 -10.650 27.281 21.120 943 HB2 SER 122 HB2 SER 122 -11.401 26.725 19.054 944 HB3 SER 122 HB3 SER 122 -13.078 26.612 19.588 945 HG SER 122 HG SER 122 -13.321 28.465 18.644 946 H GLY 123 H GLY 123 -13.630 27.884 22.667 947 HA2 GLY 123 HA2 GLY 123 -13.591 29.915 24.092 948 HA3 GLY 123 HA3 GLY 123 -13.051 30.783 22.662 949 H MET 124 H MET 124 -15.507 28.303 22.515 950 HA MET 124 HA MET 124 -17.503 30.402 21.972 951 HB2 MET 124 HB2 MET 124 -16.629 28.542 20.196 952 HB3 MET 124 HB3 MET 124 -17.998 27.695 20.903 953 HG2 MET 124 HG2 MET 124 -19.060 28.754 19.208 954 HG3 MET 124 HG3 MET 124 -19.203 29.998 20.447 955 HE1 MET 124 HE1 MET 124 -17.684 32.673 19.947 956 HE2 MET 124 HE2 MET 124 -18.568 32.785 18.425 957 HE3 MET 124 HE3 MET 124 -19.296 31.969 19.809 958 H LYS 125 H LYS 125 -19.662 30.023 22.647 959 HA LYS 125 HA LYS 125 -19.858 28.732 25.183 960 HB2 LYS 125 HB2 LYS 125 -22.406 29.387 23.925 961 HB3 LYS 125 HB3 LYS 125 -21.709 29.981 25.427 962 HG2 LYS 125 HG2 LYS 125 -20.217 31.424 23.888 963 HG3 LYS 125 HG3 LYS 125 -21.431 31.068 22.657 964 HD2 LYS 125 HD2 LYS 125 -22.684 32.711 23.477 965 HD3 LYS 125 HD3 LYS 125 -22.842 31.800 24.980 966 HE2 LYS 125 HE2 LYS 125 -20.334 33.324 24.600 967 HE3 LYS 125 HE3 LYS 125 -21.802 34.267 24.858 968 HZ1 LYS 125 HZ1 LYS 125 -20.285 32.738 26.727 969 HZ2 LYS 125 HZ2 LYS 125 -21.914 32.283 26.737 970 HZ3 LYS 125 HZ3 LYS 125 -21.485 33.896 27.010 971 H TYR 126 H TYR 126 -20.686 26.790 25.724 972 HA TYR 126 HA TYR 126 -20.776 24.687 23.943 973 HB2 TYR 126 HB2 TYR 126 -20.749 23.763 25.998 974 HB3 TYR 126 HB3 TYR 126 -21.585 25.132 26.722 975 HD1 TYR 126 HD2 TYR 126 -22.274 22.200 24.512 976 HD2 TYR 126 HD1 TYR 126 -23.719 24.806 27.549 977 HE1 TYR 126 HE2 TYR 126 -24.320 20.846 24.691 978 HE2 TYR 126 HE1 TYR 126 -25.769 23.459 27.738 979 HH TYR 126 HH TYR 126 -26.728 21.478 27.180 980 H GLU 127 H GLU 127 -23.537 26.511 25.259 981 HA GLU 127 HA GLU 127 -25.535 25.148 23.840 982 HB2 GLU 127 HB2 GLU 127 -25.471 27.973 24.910 983 HB3 GLU 127 HB3 GLU 127 -26.913 27.199 24.269 984 HG2 GLU 127 HG2 GLU 127 -26.069 25.367 26.098 985 HG3 GLU 127 HG3 GLU 127 -25.603 26.886 26.860 986 H ASP 128 H ASP 128 -24.030 28.301 23.125 987 HA ASP 128 HA ASP 128 -25.272 28.862 20.737 988 HB2 ASP 128 HB2 ASP 128 -23.393 30.121 22.146 989 HB3 ASP 128 HB3 ASP 128 -22.352 29.425 20.908 990 H ALA 129 H ALA 129 -22.141 27.187 21.091 991 HA ALA 129 HA ALA 129 -21.742 26.550 18.422 992 HB1 ALA 129 HB1 ALA 129 -20.586 24.435 19.620 993 HB2 ALA 129 HB2 ALA 129 -19.865 26.044 19.564 994 HB3 ALA 129 HB3 ALA 129 -20.748 25.523 20.999 995 H ILE 130 H ILE 130 -23.394 24.646 20.930 996 HA ILE 130 HA ILE 130 -23.985 22.395 19.401 997 HB ILE 130 HB ILE 130 -25.457 23.641 21.716 998 HG12 ILE 130 HG12 ILE 130 -23.849 22.622 22.895 999 HG13 ILE 130 HG13 ILE 130 -24.452 21.076 22.310 1000 HG21 ILE 130 HG21 ILE 130 -26.642 21.433 21.875 1001 HG22 ILE 130 HG22 ILE 130 -27.132 22.451 20.522 1002 HG23 ILE 130 HG23 ILE 130 -26.056 21.081 20.249 1003 HD11 ILE 130 HD11 ILE 130 -22.089 21.248 21.903 1004 HD12 ILE 130 HD12 ILE 130 -22.955 21.267 20.366 1005 HD13 ILE 130 HD13 ILE 130 -22.315 22.767 21.037 1006 H GLN 131 H GLN 131 -26.115 25.179 20.076 1007 HA GLN 131 HA GLN 131 -28.268 24.494 18.524 1008 HB2 GLN 131 HB2 GLN 131 -27.059 27.144 19.232 1009 HB3 GLN 131 HB3 GLN 131 -28.445 27.072 18.152 1010 HG2 GLN 131 HG2 GLN 131 -28.558 27.222 20.871 1011 HG3 GLN 131 HG3 GLN 131 -29.863 26.676 19.819 1012 HE21 GLN 131 HE21 GLN 131 -27.485 25.769 22.136 1013 HE22 GLN 131 HE22 GLN 131 -27.968 24.120 22.310 1014 H PHE 132 H PHE 132 -25.185 25.806 17.493 1015 HA PHE 132 HA PHE 132 -25.941 26.428 14.835 1016 HB2 PHE 132 HB2 PHE 132 -23.862 27.212 16.115 1017 HB3 PHE 132 HB3 PHE 132 -23.158 25.654 15.693 1018 HD1 PHE 132 HD1 PHE 132 -25.315 27.923 13.685 1019 HD2 PHE 132 HD2 PHE 132 -21.489 26.119 14.161 1020 HE1 PHE 132 HE1 PHE 132 -24.618 28.834 11.508 1021 HE2 PHE 132 HE2 PHE 132 -20.786 27.029 11.986 1022 HZ PHE 132 HZ PHE 132 -22.351 28.388 10.657 1023 H ILE 133 H ILE 133 -23.800 23.793 15.930 1024 HA ILE 133 HA ILE 133 -24.013 22.329 13.528 1025 HB ILE 133 HB ILE 133 -23.061 20.431 14.855 1026 HG12 ILE 133 HG12 ILE 133 -22.678 22.307 17.147 1027 HG13 ILE 133 HG13 ILE 133 -24.217 21.466 17.005 1028 HG21 ILE 133 HG21 ILE 133 -21.441 21.710 13.819 1029 HG22 ILE 133 HG22 ILE 133 -21.812 23.143 14.776 1030 HG23 ILE 133 HG23 ILE 133 -20.946 21.793 15.510 1031 HD11 ILE 133 HD11 ILE 133 -21.599 20.010 16.947 1032 HD12 ILE 133 HD12 ILE 133 -22.436 20.394 18.451 1033 HD13 ILE 133 HD13 ILE 133 -23.213 19.366 17.247 1034 H ARG 134 H ARG 134 -26.167 22.693 16.121 1035 HA ARG 134 HA ARG 134 -27.465 20.122 15.762 1036 HB2 ARG 134 HB2 ARG 134 -27.356 21.037 18.009 1037 HB3 ARG 134 HB3 ARG 134 -28.168 22.505 17.482 1038 HG2 ARG 134 HG2 ARG 134 -30.184 21.213 16.988 1039 HG3 ARG 134 HG3 ARG 134 -29.367 19.743 17.526 1040 HD2 ARG 134 HD2 ARG 134 -28.985 21.024 19.728 1041 HD3 ARG 134 HD3 ARG 134 -30.238 22.116 19.138 1042 HE ARG 134 HE ARG 134 -31.166 19.473 18.955 1043 HH11 ARG 134 HH11 ARG 134 -30.377 21.879 21.343 1044 HH12 ARG 134 HH12 ARG 134 -31.500 21.273 22.515 1045 HH21 ARG 134 HH21 ARG 134 -32.648 18.665 20.489 1046 HH22 ARG 134 HH22 ARG 134 -32.791 19.444 22.028 1047 H GLN 135 H GLN 135 -28.149 23.542 15.134 1048 HA GLN 135 HA GLN 135 -30.731 23.128 14.049 1049 HB2 GLN 135 HB2 GLN 135 -30.656 25.407 13.376 1050 HB3 GLN 135 HB3 GLN 135 -29.799 25.310 14.908 1051 HG2 GLN 135 HG2 GLN 135 -27.702 25.536 13.869 1052 HG3 GLN 135 HG3 GLN 135 -28.375 25.228 12.269 1053 HE21 GLN 135 HE21 GLN 135 -29.053 26.897 11.078 1054 HE22 GLN 135 HE22 GLN 135 -29.126 28.536 11.619 1055 H LYS 136 H LYS 136 -27.521 22.930 12.731 1056 HA LYS 136 HA LYS 136 -28.139 23.164 9.996 1057 HB2 LYS 136 HB2 LYS 136 -25.979 22.264 9.572 1058 HB3 LYS 136 HB3 LYS 136 -25.841 23.221 11.042 1059 HG2 LYS 136 HG2 LYS 136 -25.122 21.470 12.191 1060 HG3 LYS 136 HG3 LYS 136 -26.501 20.495 11.676 1061 HD2 LYS 136 HD2 LYS 136 -24.374 19.483 11.000 1062 HD3 LYS 136 HD3 LYS 136 -25.351 19.938 9.602 1063 HE2 LYS 136 HE2 LYS 136 -23.736 21.261 8.841 1064 HE3 LYS 136 HE3 LYS 136 -23.661 22.125 10.375 1065 HZ1 LYS 136 HZ1 LYS 136 -22.128 20.520 11.222 1066 HZ2 LYS 136 HZ2 LYS 136 -21.545 21.062 9.730 1067 HZ3 LYS 136 HZ3 LYS 136 -22.288 19.547 9.847 1068 H ARG 137 H ARG 137 -28.900 20.741 12.239 1069 HA ARG 137 HA ARG 137 -30.113 19.125 10.185 1070 HB2 ARG 137 HB2 ARG 137 -27.540 18.452 10.795 1071 HB3 ARG 137 HB3 ARG 137 -28.433 17.459 11.938 1072 HG2 ARG 137 HG2 ARG 137 -29.775 17.122 9.531 1073 HG3 ARG 137 HG3 ARG 137 -28.065 17.123 9.098 1074 HD2 ARG 137 HD2 ARG 137 -27.640 15.198 10.221 1075 HD3 ARG 137 HD3 ARG 137 -28.828 15.543 11.476 1076 HE ARG 137 HE ARG 137 -30.006 14.947 8.929 1077 HH11 ARG 137 HH11 ARG 137 -28.710 13.585 11.859 1078 HH12 ARG 137 HH12 ARG 137 -29.610 12.111 11.726 1079 HH21 ARG 137 HH21 ARG 137 -31.197 13.010 8.744 1080 HH22 ARG 137 HH22 ARG 137 -31.023 11.784 9.953 1081 H ARG 138 H ARG 138 -30.344 16.786 11.861 1082 HA ARG 138 HA ARG 138 -32.136 17.869 13.934 1083 HB2 ARG 138 HB2 ARG 138 -32.367 15.156 12.633 1084 HB3 ARG 138 HB3 ARG 138 -33.559 15.978 13.631 1085 HG2 ARG 138 HG2 ARG 138 -33.265 17.772 11.633 1086 HG3 ARG 138 HG3 ARG 138 -32.967 16.262 10.771 1087 HD2 ARG 138 HD2 ARG 138 -35.167 15.971 10.659 1088 HD3 ARG 138 HD3 ARG 138 -35.175 15.762 12.409 1089 HE ARG 138 HE ARG 138 -35.241 18.458 12.072 1090 HH11 ARG 138 HH11 ARG 138 -37.172 15.811 10.896 1091 HH12 ARG 138 HH12 ARG 138 -38.628 16.745 10.799 1092 HH21 ARG 138 HH21 ARG 138 -37.151 19.699 11.947 1093 HH22 ARG 138 HH22 ARG 138 -38.614 18.957 11.396 1094 H GLY 139 H GLY 139 -31.135 17.746 15.845 1095 HA2 GLY 139 HA2 GLY 139 -29.936 16.913 17.620 1096 HA3 GLY 139 HA3 GLY 139 -30.662 15.375 17.180 1097 H ALA 140 H ALA 140 -28.007 17.538 16.209 1098 HA ALA 140 HA ALA 140 -26.512 15.359 15.060 1099 HB1 ALA 140 HB1 ALA 140 -24.798 17.542 15.361 1100 HB2 ALA 140 HB2 ALA 140 -25.685 17.071 13.911 1101 HB3 ALA 140 HB3 ALA 140 -26.386 18.236 15.034 1102 H ILE 141 H ILE 141 -25.732 17.676 17.665 1103 HA ILE 141 HA ILE 141 -23.895 15.711 18.807 1104 HB ILE 141 HB ILE 141 -23.013 17.955 18.544 1105 HG12 ILE 141 HG12 ILE 141 -23.530 17.542 21.488 1106 HG13 ILE 141 HG13 ILE 141 -22.443 16.508 20.567 1107 HG21 ILE 141 HG21 ILE 141 -24.659 19.516 18.601 1108 HG22 ILE 141 HG22 ILE 141 -25.543 18.698 19.889 1109 HG23 ILE 141 HG23 ILE 141 -24.115 19.659 20.273 1110 HD11 ILE 141 HD11 ILE 141 -22.028 19.443 20.440 1111 HD12 ILE 141 HD12 ILE 141 -21.563 18.586 21.910 1112 HD13 ILE 141 HD13 ILE 141 -20.858 18.126 20.361 1113 H ASN 142 H ASN 142 -27.023 17.017 19.303 1114 HA ASN 142 HA ASN 142 -27.552 17.049 21.930 1115 HB2 ASN 142 HB2 ASN 142 -29.290 17.290 20.219 1116 HB3 ASN 142 HB3 ASN 142 -29.204 15.566 19.873 1117 HD21 ASN 142 HD21 ASN 142 -30.616 14.324 20.863 1118 HD22 ASN 142 HD22 ASN 142 -31.485 14.719 22.303 1119 H SER 143 H SER 143 -28.325 15.487 23.494 1120 HA SER 143 HA SER 143 -28.552 13.274 24.308 1121 HB2 SER 143 HB2 SER 143 -26.335 12.524 22.390 1122 HB3 SER 143 HB3 SER 143 -27.342 11.429 23.338 1123 HG SER 143 HG SER 143 -29.117 12.624 22.074 1124 H LYS 144 H LYS 144 -26.247 11.666 24.829 1125 HA LYS 144 HA LYS 144 -25.272 12.619 27.151 1126 HB2 LYS 144 HB2 LYS 144 -23.760 11.024 25.077 1127 HB3 LYS 144 HB3 LYS 144 -23.203 11.260 26.728 1128 HG2 LYS 144 HG2 LYS 144 -24.673 9.783 27.581 1129 HG3 LYS 144 HG3 LYS 144 -25.944 10.222 26.437 1130 HD2 LYS 144 HD2 LYS 144 -23.527 8.777 25.448 1131 HD3 LYS 144 HD3 LYS 144 -24.778 7.875 26.307 1132 HE2 LYS 144 HE2 LYS 144 -25.697 7.684 24.261 1133 HE3 LYS 144 HE3 LYS 144 -26.289 9.313 24.585 1134 HZ1 LYS 144 HZ1 LYS 144 -24.824 8.606 22.441 1135 HZ2 LYS 144 HZ2 LYS 144 -23.631 9.220 23.471 1136 HZ3 LYS 144 HZ3 LYS 144 -24.952 10.184 23.039 1137 H GLN 145 H GLN 145 -23.963 13.360 23.946 1138 HA GLN 145 HA GLN 145 -21.691 14.756 24.633 1139 HB2 GLN 145 HB2 GLN 145 -23.478 15.769 22.447 1140 HB3 GLN 145 HB3 GLN 145 -21.722 15.676 22.487 1141 HG2 GLN 145 HG2 GLN 145 -23.702 13.475 22.029 1142 HG3 GLN 145 HG3 GLN 145 -22.393 14.020 20.982 1143 HE21 GLN 145 HE21 GLN 145 -23.304 11.547 22.813 1144 HE22 GLN 145 HE22 GLN 145 -21.772 10.955 23.348 1145 H LEU 146 H LEU 146 -24.912 16.186 24.070 1146 HA LEU 146 HA LEU 146 -24.305 18.786 24.815 1147 HB2 LEU 146 HB2 LEU 146 -26.713 17.181 24.473 1148 HB3 LEU 146 HB3 LEU 146 -26.898 18.450 25.683 1149 HG LEU 146 HG LEU 146 -26.353 20.144 24.050 1150 HD11 LEU 146 HD11 LEU 146 -25.778 17.792 22.280 1151 HD12 LEU 146 HD12 LEU 146 -24.747 19.171 22.658 1152 HD13 LEU 146 HD13 LEU 146 -26.157 19.383 21.620 1153 HD21 LEU 146 HD21 LEU 146 -28.196 19.266 22.259 1154 HD22 LEU 146 HD22 LEU 146 -28.581 19.995 23.818 1155 HD23 LEU 146 HD23 LEU 146 -28.549 18.239 23.650 1156 H THR 147 H THR 147 -25.728 16.228 26.851 1157 HA THR 147 HA THR 147 -25.808 17.644 29.242 1158 HB THR 147 HB THR 147 -25.886 15.501 30.388 1159 HG1 THR 147 HG1 THR 147 -25.536 13.573 29.116 1160 HG21 THR 147 HG21 THR 147 -27.896 16.215 29.189 1161 HG22 THR 147 HG22 THR 147 -27.741 14.458 29.168 1162 HG23 THR 147 HG23 THR 147 -27.326 15.397 27.735 1163 H TYR 148 H TYR 148 -23.163 15.853 27.758 1164 HA TYR 148 HA TYR 148 -21.390 15.774 29.901 1165 HB2 TYR 148 HB2 TYR 148 -20.876 14.519 27.938 1166 HB3 TYR 148 HB3 TYR 148 -20.903 15.960 26.928 1167 HD1 TYR 148 HD2 TYR 148 -19.169 15.085 30.126 1168 HD2 TYR 148 HD1 TYR 148 -18.801 16.414 26.101 1169 HE1 TYR 148 HE2 TYR 148 -16.743 15.342 30.439 1170 HE2 TYR 148 HE1 TYR 148 -16.374 16.674 26.402 1171 HH TYR 148 HH TYR 148 -14.885 16.860 29.253 1172 H LEU 149 H LEU 149 -21.359 18.141 27.229 1173 HA LEU 149 HA LEU 149 -19.530 19.885 28.479 1174 HB2 LEU 149 HB2 LEU 149 -20.660 19.678 25.994 1175 HB3 LEU 149 HB3 LEU 149 -21.417 21.138 26.628 1176 HG LEU 149 HG LEU 149 -19.499 21.768 25.347 1177 HD11 LEU 149 HD11 LEU 149 -19.994 22.762 27.712 1178 HD12 LEU 149 HD12 LEU 149 -18.523 23.206 26.848 1179 HD13 LEU 149 HD13 LEU 149 -18.460 22.000 28.132 1180 HD21 LEU 149 HD21 LEU 149 -18.264 19.493 26.749 1181 HD22 LEU 149 HD22 LEU 149 -17.231 20.905 26.530 1182 HD23 LEU 149 HD23 LEU 149 -17.971 20.127 25.130 1183 H GLU 150 H GLU 150 -22.902 19.402 28.894 1184 HA GLU 150 HA GLU 150 -23.667 21.957 29.798 1185 HB2 GLU 150 HB2 GLU 150 -25.047 19.752 29.243 1186 HB3 GLU 150 HB3 GLU 150 -24.926 19.531 30.983 1187 HG2 GLU 150 HG2 GLU 150 -25.870 21.840 31.242 1188 HG3 GLU 150 HG3 GLU 150 -26.182 21.827 29.507 1189 H LYS 151 H LYS 151 -22.451 19.110 31.523 1190 HA LYS 151 HA LYS 151 -22.335 20.657 34.005 1191 HB2 LYS 151 HB2 LYS 151 -22.388 17.772 33.322 1192 HB3 LYS 151 HB3 LYS 151 -21.443 18.224 34.735 1193 HG2 LYS 151 HG2 LYS 151 -23.384 19.263 35.741 1194 HG3 LYS 151 HG3 LYS 151 -24.342 18.916 34.300 1195 HD2 LYS 151 HD2 LYS 151 -23.197 16.473 35.089 1196 HD3 LYS 151 HD3 LYS 151 -23.790 17.239 36.566 1197 HE2 LYS 151 HE2 LYS 151 -25.567 17.273 34.190 1198 HE3 LYS 151 HE3 LYS 151 -25.339 15.730 35.011 1199 HZ1 LYS 151 HZ1 LYS 151 -26.439 16.434 36.837 1200 HZ2 LYS 151 HZ2 LYS 151 -27.188 17.468 35.728 1201 HZ3 LYS 151 HZ3 LYS 151 -25.920 18.038 36.693 1202 H TYR 152 H TYR 152 -20.337 19.463 31.477 1203 HA TYR 152 HA TYR 152 -17.877 19.416 32.924 1204 HB2 TYR 152 HB2 TYR 152 -18.099 18.116 30.893 1205 HB3 TYR 152 HB3 TYR 152 -18.449 19.565 29.958 1206 HD1 TYR 152 HD1 TYR 152 -15.779 18.396 32.310 1207 HD2 TYR 152 HD2 TYR 152 -16.727 20.317 28.634 1208 HE1 TYR 152 HE1 TYR 152 -13.380 18.662 31.837 1209 HE2 TYR 152 HE2 TYR 152 -14.331 20.587 28.150 1210 HH TYR 152 HH TYR 152 -12.259 20.250 28.861 1211 H ARG 153 H ARG 153 -16.132 20.894 32.758 1212 HA ARG 153 HA ARG 153 -16.952 23.637 32.057 1213 HB2 ARG 153 HB2 ARG 153 -15.917 24.498 33.940 1214 HB3 ARG 153 HB3 ARG 153 -16.564 22.982 34.553 1215 HG2 ARG 153 HG2 ARG 153 -14.457 22.872 35.397 1216 HG3 ARG 153 HG3 ARG 153 -14.190 22.081 33.842 1217 HD2 ARG 153 HD2 ARG 153 -12.744 23.654 33.233 1218 HD3 ARG 153 HD3 ARG 153 -13.927 24.922 33.552 1219 HE ARG 153 HE ARG 153 -11.766 24.086 35.267 1220 HH11 ARG 153 HH11 ARG 153 -14.843 25.704 35.079 1221 HH12 ARG 153 HH12 ARG 153 -14.590 26.633 36.520 1222 HH21 ARG 153 HH21 ARG 153 -11.421 25.303 37.166 1223 HH22 ARG 153 HH22 ARG 153 -12.643 26.404 37.705 1224 HA PRO 154 HA PRO 154 -13.574 23.535 29.208 1225 HB2 PRO 154 HB2 PRO 154 -13.458 26.198 28.695 1226 HB3 PRO 154 HB3 PRO 154 -14.721 25.148 28.042 1227 HG2 PRO 154 HG2 PRO 154 -14.816 26.978 30.410 1228 HG3 PRO 154 HG3 PRO 154 -16.032 26.721 29.145 1229 HD2 PRO 154 HD2 PRO 154 -16.211 25.576 31.592 1230 HD3 PRO 154 HD3 PRO 154 -16.823 24.790 30.122 1231 H LYS 155 H LYS 155 -11.602 23.121 30.002 1232 HA LYS 155 HA LYS 155 -10.433 24.425 32.210 1233 HB2 LYS 155 HB2 LYS 155 -8.430 23.189 31.680 1234 HB3 LYS 155 HB3 LYS 155 -9.824 22.145 31.430 1235 HG2 LYS 155 HG2 LYS 155 -9.504 23.211 28.951 1236 HG3 LYS 155 HG3 LYS 155 -7.835 23.127 29.520 1237 HD2 LYS 155 HD2 LYS 155 -7.785 20.905 29.307 1238 HD3 LYS 155 HD3 LYS 155 -9.322 20.719 30.155 1239 HE2 LYS 155 HE2 LYS 155 -10.393 21.513 27.959 1240 HE3 LYS 155 HE3 LYS 155 -8.827 21.165 27.229 1241 HZ1 LYS 155 HZ1 LYS 155 -9.028 18.883 28.119 1242 HZ2 LYS 155 HZ2 LYS 155 -10.228 19.265 26.990 1243 HZ3 LYS 155 HZ3 LYS 155 -10.596 19.245 28.641 1244 H GLN 156 H GLN 156 -10.833 25.445 29.030 1245 HA GLN 156 HA GLN 156 -10.131 27.283 27.888 1246 HB2 GLN 156 HB2 GLN 156 -8.746 28.147 30.425 1247 HB3 GLN 156 HB3 GLN 156 -9.288 29.167 29.099 1248 HG2 GLN 156 HG2 GLN 156 -11.197 29.493 30.154 1249 HG3 GLN 156 HG3 GLN 156 -11.549 27.770 30.024 1250 HE21 GLN 156 HE21 GLN 156 -10.800 30.340 32.099 1251 HE22 GLN 156 HE22 GLN 156 -10.656 29.435 33.563 1252 H ARG 157 H ARG 157 -8.764 25.410 26.980 1253 HA ARG 157 HA ARG 157 -5.903 25.868 27.445 1254 HB2 ARG 157 HB2 ARG 157 -7.478 23.533 26.929 1255 HB3 ARG 157 HB3 ARG 157 -6.307 23.727 25.631 1256 HG2 ARG 157 HG2 ARG 157 -4.522 23.368 26.996 1257 HG3 ARG 157 HG3 ARG 157 -5.339 24.016 28.420 1258 HD2 ARG 157 HD2 ARG 157 -5.645 21.900 29.050 1259 HD3 ARG 157 HD3 ARG 157 -6.839 21.792 27.757 1260 HE ARG 157 HE ARG 157 -4.528 21.244 26.482 1261 HH11 ARG 157 HH11 ARG 157 -5.985 19.992 29.385 1262 HH12 ARG 157 HH12 ARG 157 -5.283 18.418 29.215 1263 HH21 ARG 157 HH21 ARG 157 -3.598 19.175 26.246 1264 HH22 ARG 157 HH22 ARG 157 -3.924 17.954 27.429 1265 H LEU 158 H LEU 158 -8.145 25.332 24.723 1266 HA LEU 158 HA LEU 158 -6.405 26.058 22.675 1267 HB2 LEU 158 HB2 LEU 158 -9.262 25.655 23.000 1268 HB3 LEU 158 HB3 LEU 158 -8.896 26.908 21.815 1269 HG LEU 158 HG LEU 158 -9.206 24.462 21.029 1270 HD11 LEU 158 HD11 LEU 158 -7.771 26.653 20.060 1271 HD12 LEU 158 HD12 LEU 158 -8.358 25.267 19.144 1272 HD13 LEU 158 HD13 LEU 158 -6.725 25.255 19.810 1273 HD21 LEU 158 HD21 LEU 158 -7.537 22.945 21.338 1274 HD22 LEU 158 HD22 LEU 158 -7.387 23.835 22.854 1275 HD23 LEU 158 HD23 LEU 158 -6.291 24.182 21.515 1276 H ARG 159 H ARG 159 -9.180 28.123 23.414 1277 HA ARG 159 HA ARG 159 -7.379 30.443 23.536 1278 HB2 ARG 159 HB2 ARG 159 -9.207 29.832 21.433 1279 HB3 ARG 159 HB3 ARG 159 -9.816 31.238 22.295 1280 HG2 ARG 159 HG2 ARG 159 -7.025 30.988 21.197 1281 HG3 ARG 159 HG3 ARG 159 -8.362 31.799 20.379 1282 HD2 ARG 159 HD2 ARG 159 -8.509 33.453 22.073 1283 HD3 ARG 159 HD3 ARG 159 -7.439 32.547 23.142 1284 HE ARG 159 HE ARG 159 -6.665 34.356 21.083 1285 HH11 ARG 159 HH11 ARG 159 -5.722 31.446 22.744 1286 HH12 ARG 159 HH12 ARG 159 -4.030 31.666 22.442 1287 HH21 ARG 159 HH21 ARG 159 -4.441 34.657 20.679 1288 HH22 ARG 159 HH22 ARG 159 -3.303 33.494 21.268 1289 H PHE 160 H PHE 160 -9.036 28.792 25.471 1290 HA PHE 160 HA PHE 160 -10.189 29.176 27.395 1291 HB2 PHE 160 HB2 PHE 160 -10.146 32.134 26.961 1292 HB3 PHE 160 HB3 PHE 160 -9.943 31.219 28.452 1293 HD1 PHE 160 HD2 PHE 160 -7.799 29.385 27.861 1294 HD2 PHE 160 HD1 PHE 160 -8.280 33.445 26.678 1295 HE1 PHE 160 HE2 PHE 160 -5.357 29.614 27.667 1296 HE2 PHE 160 HE1 PHE 160 -5.838 33.681 26.482 1297 HZ PHE 160 HZ PHE 160 -4.373 31.764 26.978 1298 H LYS 161 H LYS 161 -12.313 29.151 27.895 1299 HA LYS 161 HA LYS 161 -14.163 30.279 25.900 1300 HB2 LYS 161 HB2 LYS 161 -14.031 27.726 26.357 1301 HB3 LYS 161 HB3 LYS 161 -14.898 28.105 27.839 1302 HG2 LYS 161 HG2 LYS 161 -16.119 29.326 25.508 1303 HG3 LYS 161 HG3 LYS 161 -16.014 27.569 25.377 1304 HD2 LYS 161 HD2 LYS 161 -16.866 28.378 28.018 1305 HD3 LYS 161 HD3 LYS 161 -17.927 29.039 26.772 1306 HE2 LYS 161 HE2 LYS 161 -18.291 26.830 25.860 1307 HE3 LYS 161 HE3 LYS 161 -17.133 26.137 26.995 1308 HZ1 LYS 161 HZ1 LYS 161 -19.090 25.705 28.055 1309 HZ2 LYS 161 HZ2 LYS 161 -19.862 27.094 27.476 1310 HZ3 LYS 161 HZ3 LYS 161 -18.736 27.214 28.733 1311 H ASP 162 H ASP 162 -16.371 30.798 26.828 1312 HA ASP 162 HA ASP 162 -17.613 32.199 28.125 1313 HB2 ASP 162 HB2 ASP 162 -17.327 30.111 29.593 1314 HB3 ASP 162 HB3 ASP 162 -16.144 31.055 30.494 Start of MODEL 5 1 H1 MET 1 H MET 1 -1.076 -1.373 -5.707 2 HA MET 1 HA MET 1 -1.274 -0.499 -3.053 3 HB2 MET 1 HB2 MET 1 -0.500 -2.721 -2.445 4 HB3 MET 1 HB3 MET 1 0.870 -2.574 -3.537 5 HG2 MET 1 HG2 MET 1 2.059 -1.324 -2.098 6 HG3 MET 1 HG3 MET 1 0.640 -0.468 -1.500 7 HE1 MET 1 HE1 MET 1 3.330 -2.599 -0.930 8 HE2 MET 1 HE2 MET 1 3.030 -3.475 0.571 9 HE3 MET 1 HE3 MET 1 2.545 -4.178 -0.973 10 H ALA 2 H ALA 2 0.138 1.196 -2.606 11 HA ALA 2 HA ALA 2 1.552 2.923 -3.054 12 HB1 ALA 2 HB1 ALA 2 3.162 0.969 -3.275 13 HB2 ALA 2 HB2 ALA 2 2.968 1.145 -5.019 14 HB3 ALA 2 HB3 ALA 2 3.626 2.475 -4.066 15 H ARG 3 H ARG 3 -0.034 4.200 -4.028 16 HA ARG 3 HA ARG 3 0.062 4.257 -6.974 17 HB2 ARG 3 HB2 ARG 3 -2.279 5.217 -5.339 18 HB3 ARG 3 HB3 ARG 3 -2.220 4.878 -7.063 19 HG2 ARG 3 HG2 ARG 3 -2.002 2.821 -4.875 20 HG3 ARG 3 HG3 ARG 3 -3.451 3.168 -5.820 21 HD2 ARG 3 HD2 ARG 3 -2.151 2.594 -7.875 22 HD3 ARG 3 HD3 ARG 3 -0.829 2.077 -6.829 23 HE ARG 3 HE ARG 3 -3.068 0.710 -5.972 24 HH11 ARG 3 HH11 ARG 3 -1.207 0.971 -8.903 25 HH12 ARG 3 HH12 ARG 3 -1.559 -0.643 -9.425 26 HH21 ARG 3 HH21 ARG 3 -3.540 -1.417 -6.649 27 HH22 ARG 3 HH22 ARG 3 -2.887 -2.000 -8.142 28 H MET 4 H MET 4 -1.216 6.614 -7.454 29 HA MET 4 HA MET 4 -0.188 8.747 -5.841 30 HB2 MET 4 HB2 MET 4 1.883 8.261 -6.928 31 HB3 MET 4 HB3 MET 4 1.101 8.130 -8.498 32 HG2 MET 4 HG2 MET 4 0.755 10.717 -7.165 33 HG3 MET 4 HG3 MET 4 2.416 10.318 -7.598 34 HE1 MET 4 HE1 MET 4 2.418 8.690 -9.897 35 HE2 MET 4 HE2 MET 4 1.971 9.480 -11.409 36 HE3 MET 4 HE3 MET 4 3.223 10.182 -10.384 37 H ASN 5 H ASN 5 -1.665 10.296 -5.953 38 HA ASN 5 HA ASN 5 -3.313 11.672 -6.705 39 HB2 ASN 5 HB2 ASN 5 -1.452 11.737 -8.665 40 HB3 ASN 5 HB3 ASN 5 -2.825 11.108 -9.571 41 HD21 ASN 5 HD21 ASN 5 -4.916 12.398 -8.380 42 HD22 ASN 5 HD22 ASN 5 -4.791 14.098 -8.664 43 H ARG 6 H ARG 6 -5.233 10.804 -6.215 44 HA ARG 6 HA ARG 6 -6.904 9.702 -8.154 45 HB2 ARG 6 HB2 ARG 6 -5.141 7.783 -6.973 46 HB3 ARG 6 HB3 ARG 6 -6.783 7.437 -6.446 47 HG2 ARG 6 HG2 ARG 6 -7.051 7.924 -9.153 48 HG3 ARG 6 HG3 ARG 6 -5.536 7.029 -9.026 49 HD2 ARG 6 HD2 ARG 6 -8.250 6.202 -8.014 50 HD3 ARG 6 HD3 ARG 6 -7.313 5.452 -9.306 51 HE ARG 6 HE ARG 6 -5.681 5.228 -7.168 52 HH11 ARG 6 HH11 ARG 6 -9.023 4.413 -7.703 53 HH12 ARG 6 HH12 ARG 6 -9.014 3.087 -6.588 54 HH21 ARG 6 HH21 ARG 6 -5.656 3.484 -5.698 55 HH22 ARG 6 HH22 ARG 6 -7.098 2.560 -5.447 56 HA PRO 7 HA PRO 7 -9.027 9.211 -3.849 57 HB2 PRO 7 HB2 PRO 7 -7.488 9.562 -1.640 58 HB3 PRO 7 HB3 PRO 7 -7.700 7.992 -2.424 59 HG2 PRO 7 HG2 PRO 7 -5.435 9.935 -2.659 60 HG3 PRO 7 HG3 PRO 7 -5.383 8.170 -2.495 61 HD2 PRO 7 HD2 PRO 7 -5.064 9.422 -4.874 62 HD3 PRO 7 HD3 PRO 7 -5.823 7.824 -4.730 63 H ALA 8 H ALA 8 -10.235 10.917 -3.312 64 HA ALA 8 HA ALA 8 -8.896 13.514 -2.914 65 HB1 ALA 8 HB1 ALA 8 -10.512 12.976 -4.991 66 HB2 ALA 8 HB2 ALA 8 -11.706 13.526 -3.815 67 HB3 ALA 8 HB3 ALA 8 -10.362 14.576 -4.264 68 HA PRO 9 HA PRO 9 -10.972 12.646 1.059 69 HB2 PRO 9 HB2 PRO 9 -9.249 14.152 2.520 70 HB3 PRO 9 HB3 PRO 9 -8.906 12.483 2.050 71 HG2 PRO 9 HG2 PRO 9 -7.960 15.034 0.802 72 HG3 PRO 9 HG3 PRO 9 -7.051 13.550 1.139 73 HD2 PRO 9 HD2 PRO 9 -7.997 14.151 -1.326 74 HD3 PRO 9 HD3 PRO 9 -7.855 12.481 -0.738 75 H VAL 10 H VAL 10 -11.165 14.538 2.939 76 HA VAL 10 HA VAL 10 -12.297 16.888 1.567 77 HB VAL 10 HB VAL 10 -13.471 15.253 3.801 78 HG11 VAL 10 HG11 VAL 10 -14.123 18.097 3.052 79 HG12 VAL 10 HG12 VAL 10 -15.187 17.063 4.008 80 HG13 VAL 10 HG13 VAL 10 -13.589 17.492 4.620 81 HG21 VAL 10 HG21 VAL 10 -15.511 15.525 2.314 82 HG22 VAL 10 HG22 VAL 10 -14.410 16.169 1.095 83 HG23 VAL 10 HG23 VAL 10 -14.206 14.519 1.684 84 H GLU 11 H GLU 11 -11.201 18.649 2.103 85 HA GLU 11 HA GLU 11 -9.816 18.763 4.676 86 HB2 GLU 11 HB2 GLU 11 -8.328 19.373 2.994 87 HB3 GLU 11 HB3 GLU 11 -9.555 20.246 2.087 88 HG2 GLU 11 HG2 GLU 11 -9.523 22.049 3.668 89 HG3 GLU 11 HG3 GLU 11 -8.433 21.155 4.726 90 H VAL 12 H VAL 12 -10.619 19.859 6.333 91 HA VAL 12 HA VAL 12 -12.730 21.847 5.810 92 HB VAL 12 HB VAL 12 -13.670 20.105 7.106 93 HG11 VAL 12 HG11 VAL 12 -12.674 19.223 9.140 94 HG12 VAL 12 HG12 VAL 12 -11.563 19.040 7.781 95 HG13 VAL 12 HG13 VAL 12 -11.305 20.321 8.966 96 HG21 VAL 12 HG21 VAL 12 -14.069 22.468 7.873 97 HG22 VAL 12 HG22 VAL 12 -14.357 21.223 9.088 98 HG23 VAL 12 HG23 VAL 12 -12.876 22.180 9.139 99 H SER 13 H SER 13 -11.836 23.815 5.818 100 HA SER 13 HA SER 13 -9.653 24.437 7.639 101 HB2 SER 13 HB2 SER 13 -9.030 25.822 5.994 102 HB3 SER 13 HB3 SER 13 -10.463 25.361 5.075 103 HG SER 13 HG SER 13 -11.596 27.026 6.107 104 H TYR 14 H TYR 14 -10.060 25.144 9.616 105 HA TYR 14 HA TYR 14 -12.650 26.318 10.243 106 HB2 TYR 14 HB2 TYR 14 -11.014 24.590 11.618 107 HB3 TYR 14 HB3 TYR 14 -10.688 26.125 12.415 108 HD1 TYR 14 HD2 TYR 14 -13.763 24.488 11.045 109 HD2 TYR 14 HD1 TYR 14 -11.871 26.336 14.377 110 HE1 TYR 14 HE2 TYR 14 -15.834 24.244 12.348 111 HE2 TYR 14 HE1 TYR 14 -13.936 26.096 15.691 112 HH TYR 14 HH TYR 14 -16.023 25.349 15.721 113 H LYS 15 H LYS 15 -11.920 27.899 12.428 114 HA LYS 15 HA LYS 15 -11.525 30.385 11.282 115 HB2 LYS 15 HB2 LYS 15 -11.021 31.178 13.580 116 HB3 LYS 15 HB3 LYS 15 -12.457 30.165 13.499 117 HG2 LYS 15 HG2 LYS 15 -10.815 28.249 14.126 118 HG3 LYS 15 HG3 LYS 15 -9.784 29.569 14.684 119 HD2 LYS 15 HD2 LYS 15 -11.080 28.814 16.546 120 HD3 LYS 15 HD3 LYS 15 -11.711 30.388 16.053 121 HE2 LYS 15 HE2 LYS 15 -13.131 28.480 14.565 122 HE3 LYS 15 HE3 LYS 15 -13.050 27.848 16.209 123 HZ1 LYS 15 HZ1 LYS 15 -14.605 29.282 16.811 124 HZ2 LYS 15 HZ2 LYS 15 -14.714 29.856 15.224 125 HZ3 LYS 15 HZ3 LYS 15 -13.650 30.589 16.317 126 H HIS 16 H HIS 16 -9.129 28.346 12.947 127 HA HIS 16 HA HIS 16 -7.028 29.616 11.361 128 HB2 HIS 16 HB2 HIS 16 -7.235 29.641 14.345 129 HB3 HIS 16 HB3 HIS 16 -5.642 29.530 13.601 130 HD1 HIS 16 HD1 HIS 16 -6.052 31.481 11.249 131 HD2 HIS 16 HD2 HIS 16 -7.239 32.241 15.158 132 HE1 HIS 16 HE1 HIS 16 -6.181 33.985 11.438 133 H MET 17 H MET 17 -8.378 26.981 11.427 134 HA MET 17 HA MET 17 -5.950 25.353 11.623 135 HB2 MET 17 HB2 MET 17 -8.593 24.281 12.580 136 HB3 MET 17 HB3 MET 17 -6.985 23.617 12.837 137 HG2 MET 17 HG2 MET 17 -7.849 26.251 13.986 138 HG3 MET 17 HG3 MET 17 -8.094 24.718 14.819 139 HE1 MET 17 HE1 MET 17 -5.007 27.463 15.441 140 HE2 MET 17 HE2 MET 17 -6.769 27.383 15.442 141 HE3 MET 17 HE3 MET 17 -5.851 26.623 16.743 142 H ARG 18 H ARG 18 -6.514 23.054 10.678 143 HA ARG 18 HA ARG 18 -8.504 23.003 8.618 144 HB2 ARG 18 HB2 ARG 18 -6.488 24.419 7.757 145 HB3 ARG 18 HB3 ARG 18 -5.690 22.861 7.592 146 HG2 ARG 18 HG2 ARG 18 -7.204 22.125 5.970 147 HG3 ARG 18 HG3 ARG 18 -8.375 23.385 6.369 148 HD2 ARG 18 HD2 ARG 18 -5.719 23.708 4.985 149 HD3 ARG 18 HD3 ARG 18 -7.325 23.984 4.309 150 HE ARG 18 HE ARG 18 -7.136 25.694 6.447 151 HH11 ARG 18 HH11 ARG 18 -5.346 25.149 3.511 152 HH12 ARG 18 HH12 ARG 18 -4.843 26.799 3.357 153 HH21 ARG 18 HH21 ARG 18 -6.480 27.870 6.255 154 HH22 ARG 18 HH22 ARG 18 -5.488 28.346 4.919 155 H PHE 19 H PHE 19 -9.208 21.000 8.974 156 HA PHE 19 HA PHE 19 -7.245 18.861 9.422 157 HB2 PHE 19 HB2 PHE 19 -10.189 19.060 10.061 158 HB3 PHE 19 HB3 PHE 19 -9.280 17.558 10.193 159 HD1 PHE 19 HD1 PHE 19 -8.197 20.997 11.070 160 HD2 PHE 19 HD2 PHE 19 -9.269 17.125 12.477 161 HE1 PHE 19 HE1 PHE 19 -7.490 21.630 13.341 162 HE2 PHE 19 HE2 PHE 19 -8.565 17.752 14.750 163 HZ PHE 19 HZ PHE 19 -7.675 20.007 15.184 164 H LEU 20 H LEU 20 -8.241 16.636 8.630 165 HA LEU 20 HA LEU 20 -9.388 16.946 5.953 166 HB2 LEU 20 HB2 LEU 20 -6.674 16.233 6.536 167 HB3 LEU 20 HB3 LEU 20 -7.494 14.872 5.773 168 HG LEU 20 HG LEU 20 -6.417 16.111 4.057 169 HD11 LEU 20 HD11 LEU 20 -8.882 17.314 3.329 170 HD12 LEU 20 HD12 LEU 20 -9.232 15.806 4.173 171 HD13 LEU 20 HD13 LEU 20 -8.181 15.800 2.756 172 HD21 LEU 20 HD21 LEU 20 -6.514 18.429 3.761 173 HD22 LEU 20 HD22 LEU 20 -6.301 18.221 5.500 174 HD23 LEU 20 HD23 LEU 20 -7.894 18.601 4.846 175 H ILE 21 H ILE 21 -11.250 15.874 6.182 176 HA ILE 21 HA ILE 21 -11.376 13.447 7.778 177 HB ILE 21 HB ILE 21 -13.857 13.651 6.726 178 HG12 ILE 21 HG12 ILE 21 -12.911 15.799 5.565 179 HG13 ILE 21 HG13 ILE 21 -14.518 15.831 6.283 180 HG21 ILE 21 HG21 ILE 21 -13.422 13.468 9.069 181 HG22 ILE 21 HG22 ILE 21 -12.721 15.084 9.118 182 HG23 ILE 21 HG23 ILE 21 -14.446 14.881 8.816 183 HD11 ILE 21 HD11 ILE 21 -13.870 17.192 8.000 184 HD12 ILE 21 HD12 ILE 21 -12.189 16.660 7.934 185 HD13 ILE 21 HD13 ILE 21 -12.814 17.762 6.708 186 H THR 22 H THR 22 -11.063 11.505 6.938 187 HA THR 22 HA THR 22 -11.079 11.153 4.048 188 HB THR 22 HB THR 22 -9.212 10.244 5.441 189 HG1 THR 22 HG1 THR 22 -10.581 8.099 4.199 190 HG21 THR 22 HG21 THR 22 -10.566 7.827 6.243 191 HG22 THR 22 HG22 THR 22 -11.303 9.236 7.005 192 HG23 THR 22 HG23 THR 22 -9.579 8.927 7.203 193 H HIS 23 H HIS 23 -12.139 9.283 3.075 194 HA HIS 23 HA HIS 23 -14.701 8.699 4.402 195 HB2 HIS 23 HB2 HIS 23 -13.933 9.028 1.520 196 HB3 HIS 23 HB3 HIS 23 -15.349 8.073 1.950 197 HD1 HIS 23 HD1 HIS 23 -17.063 9.693 1.005 198 HD2 HIS 23 HD2 HIS 23 -14.522 11.435 3.792 199 HE1 HIS 23 HE1 HIS 23 -18.062 11.944 1.510 200 H ASN 24 H ASN 24 -11.878 7.316 2.916 201 HA ASN 24 HA ASN 24 -12.680 4.734 2.376 202 HB2 ASN 24 HB2 ASN 24 -10.130 6.051 3.044 203 HB3 ASN 24 HB3 ASN 24 -10.175 4.324 3.385 204 HD21 ASN 24 HD21 ASN 24 -8.759 5.969 1.336 205 HD22 ASN 24 HD22 ASN 24 -9.150 5.224 -0.172 206 HA PRO 25 HA PRO 25 -13.582 2.698 6.155 207 HB2 PRO 25 HB2 PRO 25 -12.453 0.255 5.795 208 HB3 PRO 25 HB3 PRO 25 -13.907 0.777 4.937 209 HG2 PRO 25 HG2 PRO 25 -11.065 0.736 3.997 210 HG3 PRO 25 HG3 PRO 25 -12.537 0.255 3.132 211 HD2 PRO 25 HD2 PRO 25 -11.327 2.644 2.733 212 HD3 PRO 25 HD3 PRO 25 -13.084 2.429 2.598 213 H THR 26 H THR 26 -10.218 2.035 5.165 214 HA THR 26 HA THR 26 -9.033 3.195 7.420 215 HB THR 26 HB THR 26 -8.247 0.639 8.124 216 HG1 THR 26 HG1 THR 26 -10.004 -0.270 6.988 217 HG21 THR 26 HG21 THR 26 -10.183 1.232 9.968 218 HG22 THR 26 HG22 THR 26 -9.838 2.814 9.269 219 HG23 THR 26 HG23 THR 26 -8.537 1.864 9.985 220 H ASN 27 H ASN 27 -7.840 3.874 5.517 221 HA ASN 27 HA ASN 27 -6.110 3.806 4.034 222 HB2 ASN 27 HB2 ASN 27 -4.892 1.764 5.891 223 HB3 ASN 27 HB3 ASN 27 -4.063 2.955 4.893 224 HD21 ASN 27 HD21 ASN 27 -4.139 2.362 7.845 225 HD22 ASN 27 HD22 ASN 27 -4.451 3.896 8.578 226 H ALA 28 H ALA 28 -7.217 2.835 2.307 227 HA ALA 28 HA ALA 28 -7.752 0.164 1.900 228 HB1 ALA 28 HB1 ALA 28 -8.659 1.228 0.157 229 HB2 ALA 28 HB2 ALA 28 -7.463 2.524 0.210 230 HB3 ALA 28 HB3 ALA 28 -7.090 1.014 -0.621 231 H THR 29 H THR 29 -4.811 1.923 0.922 232 HA THR 29 HA THR 29 -3.401 -0.665 0.867 233 HB THR 29 HB THR 29 -3.487 -0.107 -1.404 234 HG1 THR 29 HG1 THR 29 -1.250 -0.248 -0.324 235 HG21 THR 29 HG21 THR 29 -2.820 2.743 -0.654 236 HG22 THR 29 HG22 THR 29 -4.402 2.150 -1.159 237 HG23 THR 29 HG23 THR 29 -3.051 2.135 -2.293 238 H LEU 30 H LEU 30 -3.618 2.382 2.232 239 HA LEU 30 HA LEU 30 -2.363 3.397 3.847 240 HB2 LEU 30 HB2 LEU 30 -1.683 0.904 4.247 241 HB3 LEU 30 HB3 LEU 30 -0.161 1.408 3.515 242 HG LEU 30 HG LEU 30 0.107 3.100 5.281 243 HD11 LEU 30 HD11 LEU 30 -2.152 3.589 5.855 244 HD12 LEU 30 HD12 LEU 30 -1.375 2.910 7.286 245 HD13 LEU 30 HD13 LEU 30 -2.460 1.914 6.315 246 HD21 LEU 30 HD21 LEU 30 0.937 0.701 5.452 247 HD22 LEU 30 HD22 LEU 30 -0.418 0.426 6.546 248 HD23 LEU 30 HD23 LEU 30 0.819 1.614 6.956 249 H SER 31 H SER 31 -0.083 1.991 1.487 250 HA SER 31 HA SER 31 1.809 3.953 1.421 251 HB2 SER 31 HB2 SER 31 0.718 2.346 -0.899 252 HB3 SER 31 HB3 SER 31 2.194 3.308 -0.975 253 HG SER 31 HG SER 31 1.770 0.853 0.133 254 H THR 32 H THR 32 -1.199 3.888 -0.468 255 HA THR 32 HA THR 32 -0.727 6.437 -1.678 256 HB THR 32 HB THR 32 -3.244 4.774 -1.489 257 HG1 THR 32 HG1 THR 32 -1.529 3.897 -2.768 258 HG21 THR 32 HG21 THR 32 -3.815 7.129 -1.790 259 HG22 THR 32 HG22 THR 32 -4.120 6.223 -3.272 260 HG23 THR 32 HG23 THR 32 -2.687 7.242 -3.140 261 H PHE 33 H PHE 33 -2.755 5.278 0.990 262 HA PHE 33 HA PHE 33 -4.176 7.553 1.586 263 HB2 PHE 33 HB2 PHE 33 -4.804 5.788 2.918 264 HB3 PHE 33 HB3 PHE 33 -3.144 5.278 3.209 265 HD1 PHE 33 HD1 PHE 33 -5.326 8.223 3.923 266 HD2 PHE 33 HD2 PHE 33 -2.350 5.530 5.340 267 HE1 PHE 33 HE1 PHE 33 -5.379 9.327 6.121 268 HE2 PHE 33 HE2 PHE 33 -2.399 6.629 7.541 269 HZ PHE 33 HZ PHE 33 -3.915 8.530 7.934 270 H ILE 34 H ILE 34 -0.913 6.704 2.703 271 HA ILE 34 HA ILE 34 -0.480 8.960 4.305 272 HB ILE 34 HB ILE 34 1.617 7.445 2.750 273 HG12 ILE 34 HG12 ILE 34 0.863 6.887 5.602 274 HG13 ILE 34 HG13 ILE 34 -0.034 6.136 4.287 275 HG21 ILE 34 HG21 ILE 34 1.772 9.692 4.459 276 HG22 ILE 34 HG22 ILE 34 2.462 8.320 5.324 277 HG23 ILE 34 HG23 ILE 34 3.094 8.771 3.741 278 HD11 ILE 34 HD11 ILE 34 2.940 5.942 4.350 279 HD12 ILE 34 HD12 ILE 34 1.958 4.890 5.372 280 HD13 ILE 34 HD13 ILE 34 1.756 4.857 3.620 281 H GLU 35 H GLU 35 -0.093 8.454 0.850 282 HA GLU 35 HA GLU 35 1.302 10.887 0.350 283 HB2 GLU 35 HB2 GLU 35 -0.373 9.384 -1.654 284 HB3 GLU 35 HB3 GLU 35 1.031 10.398 -1.957 285 HG2 GLU 35 HG2 GLU 35 1.885 8.367 -0.216 286 HG3 GLU 35 HG3 GLU 35 0.901 7.589 -1.455 287 H ASP 36 H ASP 36 -2.071 9.963 0.491 288 HA ASP 36 HA ASP 36 -3.160 12.250 -0.752 289 HB2 ASP 36 HB2 ASP 36 -4.525 10.682 1.429 290 HB3 ASP 36 HB3 ASP 36 -5.261 11.528 0.071 291 H LEU 37 H LEU 37 -2.548 11.483 2.661 292 HA LEU 37 HA LEU 37 -3.468 14.037 3.581 293 HB2 LEU 37 HB2 LEU 37 -2.815 13.320 5.749 294 HB3 LEU 37 HB3 LEU 37 -3.541 11.942 4.925 295 HG LEU 37 HG LEU 37 -1.009 11.394 4.378 296 HD11 LEU 37 HD11 LEU 37 0.459 12.697 5.408 297 HD12 LEU 37 HD12 LEU 37 -0.145 12.093 6.951 298 HD13 LEU 37 HD13 LEU 37 -0.829 13.560 6.251 299 HD21 LEU 37 HD21 LEU 37 -2.480 10.861 6.950 300 HD22 LEU 37 HD22 LEU 37 -0.968 10.063 6.516 301 HD23 LEU 37 HD23 LEU 37 -2.402 9.845 5.511 302 H LYS 38 H LYS 38 -0.443 12.700 2.537 303 HA LYS 38 HA LYS 38 1.190 14.762 3.698 304 HB2 LYS 38 HB2 LYS 38 1.643 12.452 1.861 305 HB3 LYS 38 HB3 LYS 38 2.849 13.732 1.909 306 HG2 LYS 38 HG2 LYS 38 2.830 13.397 4.447 307 HG3 LYS 38 HG3 LYS 38 1.989 11.883 4.104 308 HD2 LYS 38 HD2 LYS 38 4.687 12.695 3.020 309 HD3 LYS 38 HD3 LYS 38 4.400 11.532 4.317 310 HE2 LYS 38 HE2 LYS 38 4.547 10.059 2.602 311 HE3 LYS 38 HE3 LYS 38 2.839 10.461 2.430 312 HZ1 LYS 38 HZ1 LYS 38 4.247 10.533 0.348 313 HZ2 LYS 38 HZ2 LYS 38 4.950 11.937 0.975 314 HZ3 LYS 38 HZ3 LYS 38 3.290 11.894 0.654 315 H LYS 39 H LYS 39 -0.197 14.087 0.522 316 HA LYS 39 HA LYS 39 1.081 16.242 -0.819 317 HB2 LYS 39 HB2 LYS 39 -0.416 15.779 -2.643 318 HB3 LYS 39 HB3 LYS 39 0.104 14.247 -1.953 319 HG2 LYS 39 HG2 LYS 39 -2.024 14.139 -0.696 320 HG3 LYS 39 HG3 LYS 39 -2.544 15.613 -1.517 321 HD2 LYS 39 HD2 LYS 39 -1.697 13.129 -2.992 322 HD3 LYS 39 HD3 LYS 39 -3.367 13.436 -2.509 323 HE2 LYS 39 HE2 LYS 39 -1.985 15.617 -3.946 324 HE3 LYS 39 HE3 LYS 39 -2.350 14.170 -4.884 325 HZ1 LYS 39 HZ1 LYS 39 -4.216 16.016 -3.538 326 HZ2 LYS 39 HZ2 LYS 39 -4.685 14.431 -3.897 327 HZ3 LYS 39 HZ3 LYS 39 -4.225 15.479 -5.143 328 H TYR 40 H TYR 40 -2.041 15.872 0.792 329 HA TYR 40 HA TYR 40 -3.114 18.369 0.035 330 HB2 TYR 40 HB2 TYR 40 -3.761 16.266 2.004 331 HB3 TYR 40 HB3 TYR 40 -4.345 17.877 2.404 332 HD1 TYR 40 HD2 TYR 40 -4.202 15.608 -0.568 333 HD2 TYR 40 HD1 TYR 40 -6.464 18.419 1.686 334 HE1 TYR 40 HE2 TYR 40 -6.106 15.289 -2.092 335 HE2 TYR 40 HE1 TYR 40 -8.375 18.107 0.169 336 HH TYR 40 HH TYR 40 -9.106 17.144 -1.698 337 H GLY 41 H GLY 41 -0.582 17.586 2.128 338 HA2 GLY 41 HA2 GLY 41 0.831 19.130 3.179 339 HA3 GLY 41 HA3 GLY 41 -0.421 20.353 3.016 340 H ALA 42 H ALA 42 -1.058 17.194 4.367 341 HA ALA 42 HA ALA 42 -1.618 18.483 6.946 342 HB1 ALA 42 HB1 ALA 42 -2.610 15.872 5.812 343 HB2 ALA 42 HB2 ALA 42 -3.016 16.503 7.408 344 HB3 ALA 42 HB3 ALA 42 -3.524 17.373 5.960 345 H THR 43 H THR 43 -0.256 18.168 8.569 346 HA THR 43 HA THR 43 1.728 16.035 8.385 347 HB THR 43 HB THR 43 2.934 17.169 10.131 348 HG1 THR 43 HG1 THR 43 1.282 17.868 11.470 349 HG21 THR 43 HG21 THR 43 2.990 18.094 7.780 350 HG22 THR 43 HG22 THR 43 3.457 19.224 9.051 351 HG23 THR 43 HG23 THR 43 1.854 19.327 8.325 352 H THR 44 H THR 44 -0.996 15.325 8.975 353 HA THR 44 HA THR 44 -0.534 13.960 11.517 354 HB THR 44 HB THR 44 -3.298 14.670 11.459 355 HG1 THR 44 HG1 THR 44 -1.624 16.962 11.566 356 HG21 THR 44 HG21 THR 44 -1.675 14.084 13.381 357 HG22 THR 44 HG22 THR 44 -2.920 15.298 13.677 358 HG23 THR 44 HG23 THR 44 -1.260 15.798 13.352 359 H VAL 45 H VAL 45 -1.529 11.967 11.687 360 HA VAL 45 HA VAL 45 -2.524 10.869 9.178 361 HB VAL 45 HB VAL 45 -2.169 9.252 11.676 362 HG11 VAL 45 HG11 VAL 45 -1.307 7.652 9.822 363 HG12 VAL 45 HG12 VAL 45 -3.041 7.937 9.982 364 HG13 VAL 45 HG13 VAL 45 -2.122 8.766 8.725 365 HG21 VAL 45 HG21 VAL 45 0.189 8.919 11.121 366 HG22 VAL 45 HG22 VAL 45 0.056 10.104 9.822 367 HG23 VAL 45 HG23 VAL 45 -0.145 10.609 11.500 368 H VAL 46 H VAL 46 -4.544 10.054 8.861 369 HA VAL 46 HA VAL 46 -6.640 11.003 10.548 370 HB VAL 46 HB VAL 46 -8.153 10.166 8.965 371 HG11 VAL 46 HG11 VAL 46 -5.569 10.940 7.640 372 HG12 VAL 46 HG12 VAL 46 -7.061 10.689 6.732 373 HG13 VAL 46 HG13 VAL 46 -6.979 11.947 7.966 374 HG21 VAL 46 HG21 VAL 46 -6.968 8.552 7.138 375 HG22 VAL 46 HG22 VAL 46 -6.127 8.066 8.610 376 HG23 VAL 46 HG23 VAL 46 -7.887 7.974 8.529 377 H ARG 47 H ARG 47 -4.905 9.302 11.990 378 HA ARG 47 HA ARG 47 -5.886 6.667 12.234 379 HB2 ARG 47 HB2 ARG 47 -4.093 8.440 13.781 380 HB3 ARG 47 HB3 ARG 47 -4.848 7.136 14.687 381 HG2 ARG 47 HG2 ARG 47 -4.009 5.668 12.689 382 HG3 ARG 47 HG3 ARG 47 -2.882 7.006 12.458 383 HD2 ARG 47 HD2 ARG 47 -1.598 6.123 14.041 384 HD3 ARG 47 HD3 ARG 47 -2.875 6.470 15.206 385 HE ARG 47 HE ARG 47 -3.204 3.999 13.750 386 HH11 ARG 47 HH11 ARG 47 -1.889 5.545 16.579 387 HH12 ARG 47 HH12 ARG 47 -1.835 4.085 17.511 388 HH21 ARG 47 HH21 ARG 47 -3.137 2.071 14.967 389 HH22 ARG 47 HH22 ARG 47 -2.544 2.110 16.593 390 H VAL 48 H VAL 48 -7.459 9.478 12.836 391 HA VAL 48 HA VAL 48 -8.709 9.048 15.323 392 HB VAL 48 HB VAL 48 -9.655 10.581 12.900 393 HG11 VAL 48 HG11 VAL 48 -11.638 10.811 13.867 394 HG12 VAL 48 HG12 VAL 48 -11.119 9.804 15.220 395 HG13 VAL 48 HG13 VAL 48 -10.858 11.548 15.266 396 HG21 VAL 48 HG21 VAL 48 -8.147 11.300 15.389 397 HG22 VAL 48 HG22 VAL 48 -7.748 11.652 13.707 398 HG23 VAL 48 HG23 VAL 48 -9.068 12.513 14.499 399 H CYS 49 H CYS 49 -9.091 6.710 15.126 400 HA CYS 49 HA CYS 49 -11.780 6.099 14.756 401 HB2 CYS 49 HB2 CYS 49 -11.831 4.814 12.729 402 HB3 CYS 49 HB3 CYS 49 -11.181 6.402 12.340 403 HG CYS 49 HG CYS 49 -8.755 5.658 11.655 404 H GLU 50 H GLU 50 -11.673 3.410 14.042 405 HA GLU 50 HA GLU 50 -10.593 2.284 16.441 406 HB2 GLU 50 HB2 GLU 50 -12.703 1.495 15.406 407 HB3 GLU 50 HB3 GLU 50 -11.781 0.885 14.039 408 HG2 GLU 50 HG2 GLU 50 -10.530 -0.267 16.201 409 HG3 GLU 50 HG3 GLU 50 -12.233 -0.285 16.657 410 H VAL 51 H VAL 51 -8.396 3.246 15.538 411 HA VAL 51 HA VAL 51 -6.976 1.704 13.622 412 HB VAL 51 HB VAL 51 -4.941 2.814 14.614 413 HG11 VAL 51 HG11 VAL 51 -5.626 5.102 13.867 414 HG12 VAL 51 HG12 VAL 51 -6.005 3.813 12.723 415 HG13 VAL 51 HG13 VAL 51 -7.278 4.500 13.733 416 HG21 VAL 51 HG21 VAL 51 -6.194 3.037 16.887 417 HG22 VAL 51 HG22 VAL 51 -5.076 4.302 16.377 418 HG23 VAL 51 HG23 VAL 51 -6.814 4.532 16.186 419 H THR 52 H THR 52 -5.538 0.041 13.866 420 HA THR 52 HA THR 52 -4.898 -0.954 16.521 421 HB THR 52 HB THR 52 -5.733 -3.175 16.184 422 HG1 THR 52 HG1 THR 52 -5.971 -3.854 14.202 423 HG21 THR 52 HG21 THR 52 -7.871 -1.179 15.426 424 HG22 THR 52 HG22 THR 52 -7.350 -1.563 17.067 425 HG23 THR 52 HG23 THR 52 -8.151 -2.790 16.086 426 H TYR 53 H TYR 53 -3.315 0.199 14.456 427 HA TYR 53 HA TYR 53 -1.489 -2.040 13.977 428 HB2 TYR 53 HB2 TYR 53 -1.146 -1.520 11.693 429 HB3 TYR 53 HB3 TYR 53 -2.892 -1.538 11.911 430 HD1 TYR 53 HD1 TYR 53 0.049 0.608 11.381 431 HD2 TYR 53 HD2 TYR 53 -4.194 0.467 11.662 432 HE1 TYR 53 HE1 TYR 53 -0.083 2.879 10.446 433 HE2 TYR 53 HE2 TYR 53 -4.338 2.737 10.727 434 HH TYR 53 HH TYR 53 -1.411 4.541 9.824 435 H ASP 54 H ASP 54 0.658 -1.527 14.107 436 HA ASP 54 HA ASP 54 1.346 0.870 15.477 437 HB2 ASP 54 HB2 ASP 54 2.745 -1.572 14.578 438 HB3 ASP 54 HB3 ASP 54 3.751 -0.134 14.721 439 H LYS 55 H LYS 55 2.072 2.762 14.728 440 HA LYS 55 HA LYS 55 1.965 3.333 11.943 441 HB2 LYS 55 HB2 LYS 55 2.963 5.569 12.728 442 HB3 LYS 55 HB3 LYS 55 1.368 5.127 13.324 443 HG2 LYS 55 HG2 LYS 55 3.553 4.212 15.031 444 HG3 LYS 55 HG3 LYS 55 3.459 5.966 14.861 445 HD2 LYS 55 HD2 LYS 55 1.619 6.083 16.125 446 HD3 LYS 55 HD3 LYS 55 0.850 4.748 15.263 447 HE2 LYS 55 HE2 LYS 55 2.692 3.384 16.658 448 HE3 LYS 55 HE3 LYS 55 2.445 4.743 17.753 449 HZ1 LYS 55 HZ1 LYS 55 0.966 2.638 17.941 450 HZ2 LYS 55 HZ2 LYS 55 0.110 3.334 16.659 451 HZ3 LYS 55 HZ3 LYS 55 0.270 4.170 18.121 452 H THR 56 H THR 56 3.458 2.387 10.673 453 HA THR 56 HA THR 56 6.269 2.433 11.497 454 HB THR 56 HB THR 56 6.426 0.450 10.500 455 HG1 THR 56 HG1 THR 56 5.973 0.317 8.186 456 HG21 THR 56 HG21 THR 56 3.570 0.840 9.596 457 HG22 THR 56 HG22 THR 56 4.071 0.186 11.155 458 HG23 THR 56 HG23 THR 56 4.436 -0.693 9.671 459 HA PRO 57 HA PRO 57 6.420 4.509 7.134 460 HB2 PRO 57 HB2 PRO 57 4.048 5.145 5.977 461 HB3 PRO 57 HB3 PRO 57 4.846 3.586 5.738 462 HG2 PRO 57 HG2 PRO 57 2.599 4.302 7.583 463 HG3 PRO 57 HG3 PRO 57 2.790 2.869 6.556 464 HD2 PRO 57 HD2 PRO 57 3.309 2.836 9.213 465 HD3 PRO 57 HD3 PRO 57 4.198 1.828 8.054 466 H LEU 58 H LEU 58 3.235 5.753 8.101 467 HA LEU 58 HA LEU 58 3.798 8.430 7.893 468 HB2 LEU 58 HB2 LEU 58 1.879 8.854 9.222 469 HB3 LEU 58 HB3 LEU 58 1.563 7.396 8.283 470 HG LEU 58 HG LEU 58 0.670 7.090 10.478 471 HD11 LEU 58 HD11 LEU 58 2.056 5.249 9.312 472 HD12 LEU 58 HD12 LEU 58 1.604 5.036 11.003 473 HD13 LEU 58 HD13 LEU 58 3.237 5.556 10.586 474 HD21 LEU 58 HD21 LEU 58 2.595 8.786 11.342 475 HD22 LEU 58 HD22 LEU 58 3.235 7.242 11.906 476 HD23 LEU 58 HD23 LEU 58 1.623 7.763 12.400 477 H GLU 59 H GLU 59 4.915 6.231 10.269 478 HA GLU 59 HA GLU 59 5.408 8.092 12.366 479 HB2 GLU 59 HB2 GLU 59 5.302 5.826 13.010 480 HB3 GLU 59 HB3 GLU 59 6.429 5.329 11.755 481 HG2 GLU 59 HG2 GLU 59 7.494 5.236 13.913 482 HG3 GLU 59 HG3 GLU 59 8.236 6.494 12.927 483 H LYS 60 H LYS 60 7.536 6.584 9.940 484 HA LYS 60 HA LYS 60 9.794 8.176 10.663 485 HB2 LYS 60 HB2 LYS 60 9.369 6.662 8.085 486 HB3 LYS 60 HB3 LYS 60 10.904 7.152 8.791 487 HG2 LYS 60 HG2 LYS 60 8.996 5.082 9.856 488 HG3 LYS 60 HG3 LYS 60 10.591 4.806 9.152 489 HD2 LYS 60 HD2 LYS 60 11.634 6.001 10.995 490 HD3 LYS 60 HD3 LYS 60 10.049 6.360 11.683 491 HE2 LYS 60 HE2 LYS 60 9.764 3.761 11.619 492 HE3 LYS 60 HE3 LYS 60 11.526 3.766 11.555 493 HZ1 LYS 60 HZ1 LYS 60 9.743 4.520 13.735 494 HZ2 LYS 60 HZ2 LYS 60 11.153 5.437 13.559 495 HZ3 LYS 60 HZ3 LYS 60 11.256 3.764 13.786 496 H ASP 61 H ASP 61 7.042 8.695 8.716 497 HA ASP 61 HA ASP 61 8.221 10.615 6.935 498 HB2 ASP 61 HB2 ASP 61 5.626 9.357 7.299 499 HB3 ASP 61 HB3 ASP 61 5.473 11.082 6.974 500 H GLY 62 H GLY 62 7.616 10.715 10.161 501 HA2 GLY 62 HA2 GLY 62 7.648 12.452 11.669 502 HA3 GLY 62 HA3 GLY 62 7.971 13.532 10.321 503 H ILE 63 H ILE 63 5.160 11.458 10.437 504 HA ILE 63 HA ILE 63 3.473 13.854 10.512 505 HB ILE 63 HB ILE 63 2.842 11.030 9.652 506 HG12 ILE 63 HG12 ILE 63 2.679 13.461 7.909 507 HG13 ILE 63 HG13 ILE 63 4.249 12.725 8.216 508 HG21 ILE 63 HG21 ILE 63 1.055 13.459 9.609 509 HG22 ILE 63 HG22 ILE 63 0.654 11.853 9.001 510 HG23 ILE 63 HG23 ILE 63 0.911 12.103 10.727 511 HD11 ILE 63 HD11 ILE 63 3.639 11.663 6.292 512 HD12 ILE 63 HD12 ILE 63 3.007 10.536 7.493 513 HD13 ILE 63 HD13 ILE 63 1.923 11.676 6.697 514 H THR 64 H THR 64 2.132 14.280 12.156 515 HA THR 64 HA THR 64 2.354 12.903 14.604 516 HB THR 64 HB THR 64 0.440 15.009 13.623 517 HG1 THR 64 HG1 THR 64 2.309 15.119 15.758 518 HG21 THR 64 HG21 THR 64 0.468 13.626 16.304 519 HG22 THR 64 HG22 THR 64 -0.876 13.746 15.168 520 HG23 THR 64 HG23 THR 64 -0.307 15.184 16.016 521 H VAL 65 H VAL 65 1.357 11.149 15.344 522 HA VAL 65 HA VAL 65 -0.686 9.874 13.736 523 HB VAL 65 HB VAL 65 0.786 8.278 14.522 524 HG11 VAL 65 HG11 VAL 65 1.319 8.271 17.102 525 HG12 VAL 65 HG12 VAL 65 2.220 9.300 15.986 526 HG13 VAL 65 HG13 VAL 65 0.916 9.982 16.959 527 HG21 VAL 65 HG21 VAL 65 -0.947 7.979 16.895 528 HG22 VAL 65 HG22 VAL 65 -1.766 8.079 15.336 529 HG23 VAL 65 HG23 VAL 65 -0.559 6.825 15.618 530 H VAL 66 H VAL 66 -2.763 10.330 13.982 531 HA VAL 66 HA VAL 66 -3.722 11.200 16.628 532 HB VAL 66 HB VAL 66 -5.114 11.647 13.990 533 HG11 VAL 66 HG11 VAL 66 -5.467 13.156 16.564 534 HG12 VAL 66 HG12 VAL 66 -6.528 13.121 15.154 535 HG13 VAL 66 HG13 VAL 66 -6.391 11.701 16.192 536 HG21 VAL 66 HG21 VAL 66 -3.105 13.342 15.441 537 HG22 VAL 66 HG22 VAL 66 -3.120 12.858 13.745 538 HG23 VAL 66 HG23 VAL 66 -4.287 14.042 14.335 539 H ASP 67 H ASP 67 -4.139 9.175 17.500 540 HA ASP 67 HA ASP 67 -6.061 7.471 16.081 541 HB2 ASP 67 HB2 ASP 67 -5.459 5.819 17.933 542 HB3 ASP 67 HB3 ASP 67 -4.191 6.198 16.770 543 H TRP 68 H TRP 68 -8.108 7.969 16.515 544 HA TRP 68 HA TRP 68 -8.830 8.564 19.311 545 HB2 TRP 68 HB2 TRP 68 -9.949 9.657 16.733 546 HB3 TRP 68 HB3 TRP 68 -10.827 9.768 18.256 547 HD1 TRP 68 HD1 TRP 68 -7.251 10.159 18.990 548 HE1 TRP 68 HE1 TRP 68 -6.638 12.643 19.271 549 HE3 TRP 68 HE3 TRP 68 -11.491 12.265 17.060 550 HZ2 TRP 68 HZ2 TRP 68 -7.798 15.162 18.744 551 HZ3 TRP 68 HZ3 TRP 68 -11.660 14.719 16.985 552 HH2 TRP 68 HH2 TRP 68 -9.851 16.135 17.811 553 HA PRO 69 HA PRO 69 -11.092 4.741 18.904 554 HB2 PRO 69 HB2 PRO 69 -12.093 4.752 21.428 555 HB3 PRO 69 HB3 PRO 69 -10.426 4.294 21.057 556 HG2 PRO 69 HG2 PRO 69 -11.493 6.902 22.068 557 HG3 PRO 69 HG3 PRO 69 -10.045 6.013 22.576 558 HD2 PRO 69 HD2 PRO 69 -9.938 8.133 20.894 559 HD3 PRO 69 HD3 PRO 69 -8.799 6.775 20.793 560 H PHE 70 H PHE 70 -12.210 7.739 18.639 561 HA PHE 70 HA PHE 70 -14.875 7.685 19.491 562 HB2 PHE 70 HB2 PHE 70 -13.371 9.222 17.412 563 HB3 PHE 70 HB3 PHE 70 -15.128 9.333 17.450 564 HD1 PHE 70 HD2 PHE 70 -15.854 9.427 20.188 565 HD2 PHE 70 HD1 PHE 70 -12.435 11.115 18.297 566 HE1 PHE 70 HE2 PHE 70 -15.708 11.118 21.969 567 HE2 PHE 70 HE1 PHE 70 -12.283 12.808 20.075 568 HZ PHE 70 HZ PHE 70 -13.922 12.812 21.914 569 H ASP 71 H ASP 71 -13.321 6.003 16.963 570 HA ASP 71 HA ASP 71 -15.199 5.702 14.996 571 HB2 ASP 71 HB2 ASP 71 -13.088 4.641 14.722 572 HB3 ASP 71 HB3 ASP 71 -13.301 3.681 16.183 573 H ASP 72 H ASP 72 -15.063 3.993 18.096 574 HA ASP 72 HA ASP 72 -17.851 3.739 18.316 575 HB2 ASP 72 HB2 ASP 72 -16.944 1.950 16.481 576 HB3 ASP 72 HB3 ASP 72 -16.821 0.996 17.956 577 H GLY 73 H GLY 73 -15.522 4.431 19.886 578 HA2 GLY 73 HA2 GLY 73 -15.873 2.485 22.080 579 HA3 GLY 73 HA3 GLY 73 -14.302 3.176 21.703 580 H ALA 74 H ALA 74 -13.710 4.976 22.734 581 HA ALA 74 HA ALA 74 -13.769 6.643 24.295 582 HB1 ALA 74 HB1 ALA 74 -15.172 8.465 23.755 583 HB2 ALA 74 HB2 ALA 74 -14.799 7.667 22.226 584 HB3 ALA 74 HB3 ALA 74 -16.367 7.416 22.993 585 HA PRO 75 HA PRO 75 -16.965 4.354 26.866 586 HB2 PRO 75 HB2 PRO 75 -15.200 3.313 28.648 587 HB3 PRO 75 HB3 PRO 75 -15.647 2.493 27.147 588 HG2 PRO 75 HG2 PRO 75 -13.223 4.140 27.755 589 HG3 PRO 75 HG3 PRO 75 -13.340 2.605 26.876 590 HD2 PRO 75 HD2 PRO 75 -13.114 4.991 25.617 591 HD3 PRO 75 HD3 PRO 75 -14.019 3.628 24.926 592 HA PRO 76 HA PRO 76 -14.851 7.214 30.226 593 HB2 PRO 76 HB2 PRO 76 -13.386 9.223 29.135 594 HB3 PRO 76 HB3 PRO 76 -12.684 7.673 29.616 595 HG2 PRO 76 HG2 PRO 76 -13.511 8.617 26.898 596 HG3 PRO 76 HG3 PRO 76 -12.054 7.728 27.378 597 HD2 PRO 76 HD2 PRO 76 -14.192 6.516 26.241 598 HD3 PRO 76 HD3 PRO 76 -13.155 5.703 27.431 599 HA PRO 77 HA PRO 77 -18.016 10.237 29.769 600 HB2 PRO 77 HB2 PRO 77 -17.253 12.085 31.606 601 HB3 PRO 77 HB3 PRO 77 -17.922 10.510 32.049 602 HG2 PRO 77 HG2 PRO 77 -15.064 11.396 31.956 603 HG3 PRO 77 HG3 PRO 77 -15.895 10.423 33.184 604 HD2 PRO 77 HD2 PRO 77 -14.316 9.324 31.278 605 HD3 PRO 77 HD3 PRO 77 -15.735 8.489 31.941 606 H GLY 78 H GLY 78 -14.701 11.518 29.816 607 HA2 GLY 78 HA2 GLY 78 -14.997 12.934 27.399 608 HA3 GLY 78 HA3 GLY 78 -15.247 14.045 28.737 609 H LYS 79 H LYS 79 -13.011 11.305 28.402 610 HA LYS 79 HA LYS 79 -10.838 12.975 29.350 611 HB2 LYS 79 HB2 LYS 79 -11.226 10.588 30.099 612 HB3 LYS 79 HB3 LYS 79 -10.705 10.081 28.498 613 HG2 LYS 79 HG2 LYS 79 -8.606 11.554 29.071 614 HG3 LYS 79 HG3 LYS 79 -9.125 11.245 30.730 615 HD2 LYS 79 HD2 LYS 79 -7.616 9.514 30.241 616 HD3 LYS 79 HD3 LYS 79 -9.213 8.782 30.060 617 HE2 LYS 79 HE2 LYS 79 -8.831 8.311 27.919 618 HE3 LYS 79 HE3 LYS 79 -8.332 9.968 27.582 619 HZ1 LYS 79 HZ1 LYS 79 -6.668 8.006 27.298 620 HZ2 LYS 79 HZ2 LYS 79 -6.466 8.175 28.969 621 HZ3 LYS 79 HZ3 LYS 79 -6.140 9.479 27.941 622 H VAL 80 H VAL 80 -12.054 11.777 26.359 623 HA VAL 80 HA VAL 80 -9.719 11.764 24.806 624 HB VAL 80 HB VAL 80 -12.568 12.354 23.996 625 HG11 VAL 80 HG11 VAL 80 -10.089 12.495 22.488 626 HG12 VAL 80 HG12 VAL 80 -11.246 11.363 21.785 627 HG13 VAL 80 HG13 VAL 80 -11.708 13.044 22.057 628 HG21 VAL 80 HG21 VAL 80 -11.059 9.922 24.552 629 HG22 VAL 80 HG22 VAL 80 -12.800 10.172 24.433 630 HG23 VAL 80 HG23 VAL 80 -11.846 9.908 22.974 631 H VAL 81 H VAL 81 -11.774 14.371 25.889 632 HA VAL 81 HA VAL 81 -11.262 16.425 24.188 633 HB VAL 81 HB VAL 81 -11.570 17.967 25.984 634 HG11 VAL 81 HG11 VAL 81 -13.482 16.476 25.339 635 HG12 VAL 81 HG12 VAL 81 -13.107 15.494 26.757 636 HG13 VAL 81 HG13 VAL 81 -13.597 17.178 26.953 637 HG21 VAL 81 HG21 VAL 81 -10.735 15.691 27.769 638 HG22 VAL 81 HG22 VAL 81 -9.948 17.256 27.567 639 HG23 VAL 81 HG23 VAL 81 -11.515 17.155 28.369 640 H GLU 82 H GLU 82 -9.064 15.122 26.622 641 HA GLU 82 HA GLU 82 -7.075 17.049 26.569 642 HB2 GLU 82 HB2 GLU 82 -5.636 15.441 27.520 643 HB3 GLU 82 HB3 GLU 82 -7.247 14.990 28.059 644 HG2 GLU 82 HG2 GLU 82 -7.317 13.336 26.185 645 HG3 GLU 82 HG3 GLU 82 -5.618 13.702 25.886 646 H ASP 83 H ASP 83 -7.486 14.226 24.460 647 HA ASP 83 HA ASP 83 -5.158 14.784 22.901 648 HB2 ASP 83 HB2 ASP 83 -7.129 12.704 23.071 649 HB3 ASP 83 HB3 ASP 83 -6.950 13.197 21.390 650 H TRP 84 H TRP 84 -8.527 15.672 22.731 651 HA TRP 84 HA TRP 84 -8.734 16.455 20.072 652 HB2 TRP 84 HB2 TRP 84 -10.372 16.557 22.283 653 HB3 TRP 84 HB3 TRP 84 -10.090 18.261 21.940 654 HD1 TRP 84 HD1 TRP 84 -12.599 15.869 21.249 655 HE1 TRP 84 HE1 TRP 84 -13.820 16.303 19.024 656 HE3 TRP 84 HE3 TRP 84 -9.244 19.068 19.093 657 HZ2 TRP 84 HZ2 TRP 84 -13.414 17.802 16.667 658 HZ3 TRP 84 HZ3 TRP 84 -9.735 19.957 16.851 659 HH2 TRP 84 HH2 TRP 84 -11.777 19.335 15.665 660 H LEU 85 H LEU 85 -8.232 18.702 22.799 661 HA LEU 85 HA LEU 85 -7.412 20.849 21.175 662 HB2 LEU 85 HB2 LEU 85 -6.746 20.385 24.076 663 HB3 LEU 85 HB3 LEU 85 -6.724 21.927 23.225 664 HG LEU 85 HG LEU 85 -8.728 22.184 24.219 665 HD11 LEU 85 HD11 LEU 85 -9.076 21.756 21.698 666 HD12 LEU 85 HD12 LEU 85 -10.484 21.797 22.758 667 HD13 LEU 85 HD13 LEU 85 -9.830 20.250 22.220 668 HD21 LEU 85 HD21 LEU 85 -9.925 19.581 24.270 669 HD22 LEU 85 HD22 LEU 85 -9.485 20.634 25.614 670 HD23 LEU 85 HD23 LEU 85 -8.300 19.508 24.952 671 H SER 86 H SER 86 -5.543 18.509 23.085 672 HA SER 86 HA SER 86 -2.998 19.498 22.676 673 HB2 SER 86 HB2 SER 86 -3.982 16.656 22.943 674 HB3 SER 86 HB3 SER 86 -2.268 17.063 22.872 675 HG SER 86 HG SER 86 -2.402 17.526 24.904 676 H LEU 87 H LEU 87 -4.901 17.373 20.578 677 HA LEU 87 HA LEU 87 -2.894 16.936 18.645 678 HB2 LEU 87 HB2 LEU 87 -4.623 15.428 18.498 679 HB3 LEU 87 HB3 LEU 87 -5.859 16.664 18.726 680 HG LEU 87 HG LEU 87 -5.436 17.449 16.413 681 HD11 LEU 87 HD11 LEU 87 -3.162 16.736 16.112 682 HD12 LEU 87 HD12 LEU 87 -4.174 15.944 14.905 683 HD13 LEU 87 HD13 LEU 87 -3.620 15.046 16.318 684 HD21 LEU 87 HD21 LEU 87 -6.454 14.761 17.114 685 HD22 LEU 87 HD22 LEU 87 -6.208 15.099 15.400 686 HD23 LEU 87 HD23 LEU 87 -7.275 16.126 16.358 687 H VAL 88 H VAL 88 -5.828 18.930 18.262 688 HA VAL 88 HA VAL 88 -5.071 20.284 15.983 689 HB VAL 88 HB VAL 88 -7.330 20.368 17.071 690 HG11 VAL 88 HG11 VAL 88 -6.014 22.461 18.799 691 HG12 VAL 88 HG12 VAL 88 -7.742 22.108 18.744 692 HG13 VAL 88 HG13 VAL 88 -6.611 20.892 19.340 693 HG21 VAL 88 HG21 VAL 88 -6.090 23.004 16.288 694 HG22 VAL 88 HG22 VAL 88 -6.785 21.809 15.192 695 HG23 VAL 88 HG23 VAL 88 -7.819 22.662 16.337 696 H LYS 89 H LYS 89 -3.952 20.710 19.226 697 HA LYS 89 HA LYS 89 -2.771 23.309 18.673 698 HB2 LYS 89 HB2 LYS 89 -2.882 21.547 21.112 699 HB3 LYS 89 HB3 LYS 89 -1.856 22.974 21.048 700 HG2 LYS 89 HG2 LYS 89 -3.826 24.365 20.627 701 HG3 LYS 89 HG3 LYS 89 -4.849 22.930 20.718 702 HD2 LYS 89 HD2 LYS 89 -4.877 24.149 22.828 703 HD3 LYS 89 HD3 LYS 89 -4.123 22.565 23.031 704 HE2 LYS 89 HE2 LYS 89 -2.207 24.634 22.323 705 HE3 LYS 89 HE3 LYS 89 -3.072 24.999 23.816 706 HZ1 LYS 89 HZ1 LYS 89 -2.305 22.288 23.810 707 HZ2 LYS 89 HZ2 LYS 89 -1.846 23.515 24.880 708 HZ3 LYS 89 HZ3 LYS 89 -0.950 23.242 23.472 709 H ALA 90 H ALA 90 -1.902 19.984 18.604 710 HA ALA 90 HA ALA 90 0.953 20.502 18.731 711 HB1 ALA 90 HB1 ALA 90 1.199 18.087 18.480 712 HB2 ALA 90 HB2 ALA 90 0.063 18.481 19.772 713 HB3 ALA 90 HB3 ALA 90 -0.537 17.933 18.207 714 H LYS 91 H LYS 91 -1.143 18.834 16.369 715 HA LYS 91 HA LYS 91 0.576 18.699 14.252 716 HB2 LYS 91 HB2 LYS 91 -1.565 19.000 12.820 717 HB3 LYS 91 HB3 LYS 91 -1.462 17.630 13.917 718 HG2 LYS 91 HG2 LYS 91 -3.421 18.267 14.734 719 HG3 LYS 91 HG3 LYS 91 -2.589 19.651 15.447 720 HD2 LYS 91 HD2 LYS 91 -3.332 19.916 12.604 721 HD3 LYS 91 HD3 LYS 91 -4.673 19.865 13.750 722 HE2 LYS 91 HE2 LYS 91 -2.926 21.581 14.972 723 HE3 LYS 91 HE3 LYS 91 -2.684 21.956 13.266 724 HZ1 LYS 91 HZ1 LYS 91 -4.590 23.055 13.238 725 HZ2 LYS 91 HZ2 LYS 91 -4.752 22.806 14.903 726 HZ3 LYS 91 HZ3 LYS 91 -5.443 21.712 13.813 727 H PHE 92 H PHE 92 -1.102 21.508 15.455 728 HA PHE 92 HA PHE 92 -0.366 23.122 13.154 729 HB2 PHE 92 HB2 PHE 92 -2.402 23.887 13.875 730 HB3 PHE 92 HB3 PHE 92 -2.076 23.488 15.559 731 HD1 PHE 92 HD1 PHE 92 -1.054 25.868 12.887 732 HD2 PHE 92 HD2 PHE 92 -1.578 25.175 17.054 733 HE1 PHE 92 HE1 PHE 92 -0.544 28.232 13.341 734 HE2 PHE 92 HE2 PHE 92 -1.070 27.537 17.515 735 HZ PHE 92 HZ PHE 92 -0.552 29.070 15.657 736 H CYS 93 H CYS 93 0.646 22.581 16.458 737 HA CYS 93 HA CYS 93 2.460 24.826 16.483 738 HB2 CYS 93 HB2 CYS 93 1.383 24.095 18.559 739 HB3 CYS 93 HB3 CYS 93 2.148 22.518 18.414 740 HG CYS 93 HG CYS 93 3.321 24.251 20.420 741 H GLU 94 H GLU 94 2.525 21.657 15.304 742 HA GLU 94 HA GLU 94 5.443 21.467 15.474 743 HB2 GLU 94 HB2 GLU 94 5.163 19.166 14.701 744 HB3 GLU 94 HB3 GLU 94 4.162 19.477 16.112 745 HG2 GLU 94 HG2 GLU 94 2.410 18.729 15.000 746 HG3 GLU 94 HG3 GLU 94 2.579 20.069 13.867 747 H ALA 95 H ALA 95 2.846 21.998 13.226 748 HA ALA 95 HA ALA 95 4.825 22.244 11.055 749 HB1 ALA 95 HB1 ALA 95 3.414 21.274 9.522 750 HB2 ALA 95 HB2 ALA 95 3.032 20.343 10.971 751 HB3 ALA 95 HB3 ALA 95 1.965 21.650 10.454 752 HA PRO 96 HA PRO 96 3.551 26.416 10.544 753 HB2 PRO 96 HB2 PRO 96 3.930 26.743 7.875 754 HB3 PRO 96 HB3 PRO 96 5.265 26.621 9.027 755 HG2 PRO 96 HG2 PRO 96 4.109 24.518 7.238 756 HG3 PRO 96 HG3 PRO 96 5.810 24.877 7.589 757 HD2 PRO 96 HD2 PRO 96 4.477 22.838 8.772 758 HD3 PRO 96 HD3 PRO 96 5.767 23.740 9.594 759 H GLY 97 H GLY 97 1.299 26.030 11.062 760 HA2 GLY 97 HA2 GLY 97 -0.960 26.009 10.623 761 HA3 GLY 97 HA3 GLY 97 -0.519 27.045 9.274 762 H SER 98 H SER 98 0.687 23.794 9.434 763 HA SER 98 HA SER 98 -0.264 23.107 6.892 764 HB2 SER 98 HB2 SER 98 0.557 21.248 9.137 765 HB3 SER 98 HB3 SER 98 0.453 20.823 7.429 766 HG SER 98 HG SER 98 2.400 21.556 7.242 767 H CYS 99 H CYS 99 -1.369 20.589 7.081 768 HA CYS 99 HA CYS 99 -4.027 21.190 8.197 769 HB2 CYS 99 HB2 CYS 99 -3.308 19.368 5.891 770 HB3 CYS 99 HB3 CYS 99 -4.935 19.685 6.480 771 HG CYS 99 HG CYS 99 -2.976 21.551 4.495 772 H VAL 100 H VAL 100 -5.317 19.168 8.723 773 HA VAL 100 HA VAL 100 -3.573 17.144 9.968 774 HB VAL 100 HB VAL 100 -4.349 17.687 11.976 775 HG11 VAL 100 HG11 VAL 100 -4.623 19.957 11.098 776 HG12 VAL 100 HG12 VAL 100 -6.278 19.571 10.622 777 HG13 VAL 100 HG13 VAL 100 -5.831 19.588 12.328 778 HG21 VAL 100 HG21 VAL 100 -7.131 17.237 10.901 779 HG22 VAL 100 HG22 VAL 100 -6.048 15.967 11.471 780 HG23 VAL 100 HG23 VAL 100 -6.636 17.193 12.593 781 H ALA 101 H ALA 101 -4.095 15.064 9.621 782 HA ALA 101 HA ALA 101 -6.489 14.530 8.007 783 HB1 ALA 101 HB1 ALA 101 -3.948 13.834 7.486 784 HB2 ALA 101 HB2 ALA 101 -4.477 12.403 8.371 785 HB3 ALA 101 HB3 ALA 101 -5.344 12.914 6.923 786 H VAL 102 H VAL 102 -8.193 13.690 8.997 787 HA VAL 102 HA VAL 102 -7.771 11.778 11.186 788 HB VAL 102 HB VAL 102 -9.665 12.749 12.432 789 HG11 VAL 102 HG11 VAL 102 -7.934 15.104 12.185 790 HG12 VAL 102 HG12 VAL 102 -8.288 14.095 13.589 791 HG13 VAL 102 HG13 VAL 102 -7.076 13.581 12.415 792 HG21 VAL 102 HG21 VAL 102 -9.488 15.017 10.451 793 HG22 VAL 102 HG22 VAL 102 -10.779 13.817 10.506 794 HG23 VAL 102 HG23 VAL 102 -10.550 14.929 11.856 795 H HIS 103 H HIS 103 -9.238 10.115 11.299 796 HA HIS 103 HA HIS 103 -10.871 9.718 8.932 797 HB2 HIS 103 HB2 HIS 103 -9.499 7.858 9.639 798 HB3 HIS 103 HB3 HIS 103 -10.200 7.901 11.254 799 HD1 HIS 103 HD1 HIS 103 -10.525 6.234 8.080 800 HD2 HIS 103 HD2 HIS 103 -13.104 7.261 11.171 801 HE1 HIS 103 HE1 HIS 103 -12.554 4.781 7.774 802 H CYS 104 H CYS 104 -13.034 9.828 8.845 803 HA CYS 104 HA CYS 104 -14.634 9.683 11.258 804 HB2 CYS 104 HB2 CYS 104 -13.793 12.155 10.639 805 HB3 CYS 104 HB3 CYS 104 -15.206 12.077 9.593 806 HG CYS 104 HG CYS 104 -15.695 13.403 12.104 807 H VAL 105 H VAL 105 -16.824 9.260 10.868 808 HA VAL 105 HA VAL 105 -17.346 8.053 8.293 809 HB VAL 105 HB VAL 105 -18.049 7.147 10.619 810 HG11 VAL 105 HG11 VAL 105 -19.283 9.459 10.962 811 HG12 VAL 105 HG12 VAL 105 -20.600 8.602 10.158 812 HG13 VAL 105 HG13 VAL 105 -19.914 7.964 11.652 813 HG21 VAL 105 HG21 VAL 105 -20.447 6.781 9.135 814 HG22 VAL 105 HG22 VAL 105 -19.099 6.858 8.000 815 HG23 VAL 105 HG23 VAL 105 -19.081 5.679 9.311 816 H ALA 106 H ALA 106 -20.156 8.436 8.216 817 HA ALA 106 HA ALA 106 -20.422 10.604 6.541 818 HB1 ALA 106 HB1 ALA 106 -22.879 10.142 7.993 819 HB2 ALA 106 HB2 ALA 106 -22.493 9.830 6.300 820 HB3 ALA 106 HB3 ALA 106 -22.104 8.627 7.529 821 H GLY 107 H GLY 107 -20.428 10.536 10.014 822 HA2 GLY 107 HA2 GLY 107 -19.791 12.700 11.042 823 HA3 GLY 107 HA3 GLY 107 -21.018 13.433 10.020 824 H LEU 108 H LEU 108 -23.180 13.275 10.583 825 HA LEU 108 HA LEU 108 -24.855 13.395 12.143 826 HB2 LEU 108 HB2 LEU 108 -23.881 10.590 12.083 827 HB3 LEU 108 HB3 LEU 108 -25.054 11.028 13.323 828 HG LEU 108 HG LEU 108 -25.443 11.254 10.338 829 HD11 LEU 108 HD11 LEU 108 -26.809 9.386 10.458 830 HD12 LEU 108 HD12 LEU 108 -27.000 9.510 12.206 831 HD13 LEU 108 HD13 LEU 108 -25.470 8.959 11.524 832 HD21 LEU 108 HD21 LEU 108 -27.127 12.639 10.735 833 HD22 LEU 108 HD22 LEU 108 -26.691 12.668 12.444 834 HD23 LEU 108 HD23 LEU 108 -27.848 11.477 11.849 835 H GLY 109 H GLY 109 -22.777 11.153 13.945 836 HA2 GLY 109 HA2 GLY 109 -23.024 12.893 16.282 837 HA3 GLY 109 HA3 GLY 109 -22.455 11.230 16.281 838 H ARG 110 H ARG 110 -20.293 10.792 15.614 839 HA ARG 110 HA ARG 110 -18.288 12.141 16.713 840 HB2 ARG 110 HB2 ARG 110 -16.836 11.394 14.708 841 HB3 ARG 110 HB3 ARG 110 -17.660 10.162 15.655 842 HG2 ARG 110 HG2 ARG 110 -19.206 11.173 13.384 843 HG3 ARG 110 HG3 ARG 110 -17.712 10.341 12.948 844 HD2 ARG 110 HD2 ARG 110 -18.693 8.384 13.309 845 HD3 ARG 110 HD3 ARG 110 -18.983 8.837 14.988 846 HE ARG 110 HE ARG 110 -20.954 10.039 13.423 847 HH11 ARG 110 HH11 ARG 110 -19.925 6.850 14.367 848 HH12 ARG 110 HH12 ARG 110 -21.512 6.163 14.255 849 HH21 ARG 110 HH21 ARG 110 -23.048 9.147 13.272 850 HH22 ARG 110 HH22 ARG 110 -23.287 7.471 13.632 851 H ALA 111 H ALA 111 -19.780 13.016 13.643 852 HA ALA 111 HA ALA 111 -18.031 14.947 12.731 853 HB1 ALA 111 HB1 ALA 111 -20.894 14.378 12.379 854 HB2 ALA 111 HB2 ALA 111 -20.403 16.035 12.023 855 HB3 ALA 111 HB3 ALA 111 -19.638 14.688 11.179 856 HA PRO 112 HA PRO 112 -20.204 18.483 15.096 857 HB2 PRO 112 HB2 PRO 112 -22.467 17.938 16.493 858 HB3 PRO 112 HB3 PRO 112 -22.475 18.355 14.775 859 HG2 PRO 112 HG2 PRO 112 -22.638 15.661 16.071 860 HG3 PRO 112 HG3 PRO 112 -23.561 16.300 14.698 861 HD2 PRO 112 HD2 PRO 112 -21.444 14.642 14.384 862 HD3 PRO 112 HD3 PRO 112 -21.854 15.902 13.202 863 H VAL 113 H VAL 113 -21.005 15.554 16.979 864 HA VAL 113 HA VAL 113 -20.554 16.385 19.516 865 HB VAL 113 HB VAL 113 -19.968 14.144 20.136 866 HG11 VAL 113 HG11 VAL 113 -21.750 12.878 19.070 867 HG12 VAL 113 HG12 VAL 113 -22.279 14.528 19.403 868 HG13 VAL 113 HG13 VAL 113 -21.829 14.058 17.763 869 HG21 VAL 113 HG21 VAL 113 -19.046 13.961 17.309 870 HG22 VAL 113 HG22 VAL 113 -18.265 13.402 18.788 871 HG23 VAL 113 HG23 VAL 113 -19.621 12.501 18.113 872 H LEU 114 H LEU 114 -18.063 15.459 17.175 873 HA LEU 114 HA LEU 114 -15.906 15.889 19.020 874 HB2 LEU 114 HB2 LEU 114 -16.037 15.406 16.057 875 HB3 LEU 114 HB3 LEU 114 -14.518 15.717 16.894 876 HG LEU 114 HG LEU 114 -16.198 13.287 16.841 877 HD11 LEU 114 HD11 LEU 114 -14.155 12.198 16.655 878 HD12 LEU 114 HD12 LEU 114 -13.270 13.513 17.426 879 HD13 LEU 114 HD13 LEU 114 -13.888 13.709 15.786 880 HD21 LEU 114 HD21 LEU 114 -16.422 13.928 19.178 881 HD22 LEU 114 HD22 LEU 114 -14.674 14.126 19.307 882 HD23 LEU 114 HD23 LEU 114 -15.362 12.527 19.015 883 H VAL 115 H VAL 115 -16.694 17.496 15.931 884 HA VAL 115 HA VAL 115 -15.033 19.675 16.170 885 HB VAL 115 HB VAL 115 -16.396 20.819 14.576 886 HG11 VAL 115 HG11 VAL 115 -15.754 18.025 14.295 887 HG12 VAL 115 HG12 VAL 115 -17.145 18.452 13.298 888 HG13 VAL 115 HG13 VAL 115 -15.625 19.329 13.116 889 HG21 VAL 115 HG21 VAL 115 -18.556 19.290 15.847 890 HG22 VAL 115 HG22 VAL 115 -18.584 20.884 15.092 891 HG23 VAL 115 HG23 VAL 115 -18.681 19.434 14.094 892 H ALA 116 H ALA 116 -18.000 19.032 17.842 893 HA ALA 116 HA ALA 116 -18.562 21.700 18.656 894 HB1 ALA 116 HB1 ALA 116 -20.382 20.230 18.729 895 HB2 ALA 116 HB2 ALA 116 -19.474 19.010 19.624 896 HB3 ALA 116 HB3 ALA 116 -19.967 20.504 20.421 897 H LEU 117 H LEU 117 -17.020 18.943 20.297 898 HA LEU 117 HA LEU 117 -16.498 20.138 22.740 899 HB2 LEU 117 HB2 LEU 117 -16.161 17.738 22.147 900 HB3 LEU 117 HB3 LEU 117 -14.685 18.206 21.305 901 HG LEU 117 HG LEU 117 -14.427 17.218 23.629 902 HD11 LEU 117 HD11 LEU 117 -12.766 18.663 22.317 903 HD12 LEU 117 HD12 LEU 117 -12.519 18.487 24.054 904 HD13 LEU 117 HD13 LEU 117 -13.241 19.962 23.411 905 HD21 LEU 117 HD21 LEU 117 -16.349 18.625 24.532 906 HD22 LEU 117 HD22 LEU 117 -15.205 19.967 24.558 907 HD23 LEU 117 HD23 LEU 117 -14.894 18.524 25.523 908 H ALA 118 H ALA 118 -14.468 20.100 19.823 909 HA ALA 118 HA ALA 118 -12.385 21.670 20.952 910 HB1 ALA 118 HB1 ALA 118 -12.629 21.838 18.054 911 HB2 ALA 118 HB2 ALA 118 -11.310 21.218 19.048 912 HB3 ALA 118 HB3 ALA 118 -12.684 20.183 18.661 913 H LEU 119 H LEU 119 -15.206 22.424 18.954 914 HA LEU 119 HA LEU 119 -14.678 25.081 18.372 915 HB2 LEU 119 HB2 LEU 119 -16.511 24.191 17.280 916 HB3 LEU 119 HB3 LEU 119 -17.189 23.513 18.758 917 HG LEU 119 HG LEU 119 -17.920 25.710 19.470 918 HD11 LEU 119 HD11 LEU 119 -15.941 26.827 18.229 919 HD12 LEU 119 HD12 LEU 119 -17.471 27.692 18.370 920 HD13 LEU 119 HD13 LEU 119 -17.052 26.882 16.861 921 HD21 LEU 119 HD21 LEU 119 -19.577 26.155 17.710 922 HD22 LEU 119 HD22 LEU 119 -19.434 24.434 18.069 923 HD23 LEU 119 HD23 LEU 119 -18.683 25.097 16.617 924 H ILE 120 H ILE 120 -16.132 23.670 21.268 925 HA ILE 120 HA ILE 120 -16.774 26.127 22.522 926 HB ILE 120 HB ILE 120 -16.641 23.292 23.358 927 HG12 ILE 120 HG12 ILE 120 -18.856 23.833 24.268 928 HG13 ILE 120 HG13 ILE 120 -18.597 25.536 23.909 929 HG21 ILE 120 HG21 ILE 120 -16.985 24.010 25.764 930 HG22 ILE 120 HG22 ILE 120 -15.340 24.119 25.140 931 HG23 ILE 120 HG23 ILE 120 -16.325 25.574 25.288 932 HD11 ILE 120 HD11 ILE 120 -20.045 24.327 22.286 933 HD12 ILE 120 HD12 ILE 120 -18.644 25.123 21.568 934 HD13 ILE 120 HD13 ILE 120 -18.634 23.377 21.819 935 H GLU 121 H GLU 121 -14.039 23.887 22.957 936 HA GLU 121 HA GLU 121 -12.680 25.376 24.898 937 HB2 GLU 121 HB2 GLU 121 -11.416 23.616 22.793 938 HB3 GLU 121 HB3 GLU 121 -10.741 24.041 24.360 939 HG2 GLU 121 HG2 GLU 121 -13.340 22.815 24.631 940 HG3 GLU 121 HG3 GLU 121 -12.226 21.786 23.732 941 H SER 122 H SER 122 -13.096 25.935 21.551 942 HA SER 122 HA SER 122 -10.729 27.451 21.083 943 HB2 SER 122 HB2 SER 122 -11.465 27.546 18.948 944 HB3 SER 122 HB3 SER 122 -12.699 26.405 19.481 945 HG SER 122 HG SER 122 -12.892 29.181 19.081 946 H GLY 123 H GLY 123 -13.724 28.112 22.622 947 HA2 GLY 123 HA2 GLY 123 -13.567 30.161 24.061 948 HA3 GLY 123 HA3 GLY 123 -13.111 31.003 22.588 949 H MET 124 H MET 124 -15.469 28.555 22.214 950 HA MET 124 HA MET 124 -17.522 30.622 21.853 951 HB2 MET 124 HB2 MET 124 -16.716 28.601 20.171 952 HB3 MET 124 HB3 MET 124 -18.154 27.918 20.917 953 HG2 MET 124 HG2 MET 124 -19.174 28.964 19.210 954 HG3 MET 124 HG3 MET 124 -19.100 30.339 20.310 955 HE1 MET 124 HE1 MET 124 -16.445 32.134 19.916 956 HE2 MET 124 HE2 MET 124 -17.340 32.930 18.621 957 HE3 MET 124 HE3 MET 124 -18.199 32.287 20.022 958 H LYS 125 H LYS 125 -19.657 30.278 22.623 959 HA LYS 125 HA LYS 125 -19.753 29.072 25.212 960 HB2 LYS 125 HB2 LYS 125 -22.337 29.764 24.037 961 HB3 LYS 125 HB3 LYS 125 -21.579 30.350 25.511 962 HG2 LYS 125 HG2 LYS 125 -20.094 31.732 23.892 963 HG3 LYS 125 HG3 LYS 125 -21.387 31.420 22.731 964 HD2 LYS 125 HD2 LYS 125 -22.368 33.235 23.601 965 HD3 LYS 125 HD3 LYS 125 -22.770 32.195 24.970 966 HE2 LYS 125 HE2 LYS 125 -20.217 32.960 25.566 967 HE3 LYS 125 HE3 LYS 125 -20.852 34.401 24.771 968 HZ1 LYS 125 HZ1 LYS 125 -21.206 34.382 27.195 969 HZ2 LYS 125 HZ2 LYS 125 -22.183 33.011 27.032 970 HZ3 LYS 125 HZ3 LYS 125 -22.654 34.474 26.326 971 H TYR 126 H TYR 126 -20.556 27.148 25.828 972 HA TYR 126 HA TYR 126 -20.786 25.011 24.114 973 HB2 TYR 126 HB2 TYR 126 -20.680 24.152 26.197 974 HB3 TYR 126 HB3 TYR 126 -21.483 25.544 26.913 975 HD1 TYR 126 HD2 TYR 126 -22.285 22.584 24.775 976 HD2 TYR 126 HD1 TYR 126 -23.568 25.228 27.852 977 HE1 TYR 126 HE2 TYR 126 -24.331 21.249 25.061 978 HE2 TYR 126 HE1 TYR 126 -25.617 23.900 28.147 979 HH TYR 126 HH TYR 126 -26.039 20.818 26.659 980 H GLU 127 H GLU 127 -23.438 26.956 25.475 981 HA GLU 127 HA GLU 127 -25.528 25.592 24.184 982 HB2 GLU 127 HB2 GLU 127 -25.374 28.448 25.159 983 HB3 GLU 127 HB3 GLU 127 -26.854 27.657 24.635 984 HG2 GLU 127 HG2 GLU 127 -25.770 25.928 26.516 985 HG3 GLU 127 HG3 GLU 127 -25.498 27.539 27.178 986 H ASP 128 H ASP 128 -23.967 28.681 23.328 987 HA ASP 128 HA ASP 128 -25.304 29.213 20.979 988 HB2 ASP 128 HB2 ASP 128 -23.305 30.436 22.298 989 HB3 ASP 128 HB3 ASP 128 -22.384 29.745 20.965 990 H ALA 129 H ALA 129 -22.192 27.489 21.260 991 HA ALA 129 HA ALA 129 -21.877 26.789 18.603 992 HB1 ALA 129 HB1 ALA 129 -20.898 25.698 21.177 993 HB2 ALA 129 HB2 ALA 129 -20.730 24.676 19.749 994 HB3 ALA 129 HB3 ALA 129 -20.001 26.281 19.775 995 H ILE 130 H ILE 130 -23.525 24.961 21.171 996 HA ILE 130 HA ILE 130 -24.221 22.711 19.701 997 HB ILE 130 HB ILE 130 -25.617 24.064 22.000 998 HG12 ILE 130 HG12 ILE 130 -24.067 22.977 23.194 999 HG13 ILE 130 HG13 ILE 130 -24.721 21.452 22.607 1000 HG21 ILE 130 HG21 ILE 130 -26.346 21.486 20.623 1001 HG22 ILE 130 HG22 ILE 130 -26.930 21.954 22.219 1002 HG23 ILE 130 HG23 ILE 130 -27.349 22.924 20.807 1003 HD11 ILE 130 HD11 ILE 130 -22.344 21.563 22.212 1004 HD12 ILE 130 HD12 ILE 130 -23.213 21.573 20.677 1005 HD13 ILE 130 HD13 ILE 130 -22.538 23.070 21.318 1006 H GLN 131 H GLN 131 -26.241 25.589 20.312 1007 HA GLN 131 HA GLN 131 -28.428 24.932 18.786 1008 HB2 GLN 131 HB2 GLN 131 -27.140 27.567 19.421 1009 HB3 GLN 131 HB3 GLN 131 -28.555 27.498 18.380 1010 HG2 GLN 131 HG2 GLN 131 -28.570 27.689 21.113 1011 HG3 GLN 131 HG3 GLN 131 -29.929 27.207 20.099 1012 HE21 GLN 131 HE21 GLN 131 -27.557 26.195 22.370 1013 HE22 GLN 131 HE22 GLN 131 -28.109 24.568 22.554 1014 H PHE 132 H PHE 132 -25.308 26.121 17.725 1015 HA PHE 132 HA PHE 132 -26.058 26.722 15.056 1016 HB2 PHE 132 HB2 PHE 132 -23.956 27.477 16.321 1017 HB3 PHE 132 HB3 PHE 132 -23.291 25.898 15.919 1018 HD1 PHE 132 HD1 PHE 132 -25.392 28.210 13.899 1019 HD2 PHE 132 HD2 PHE 132 -21.629 26.276 14.361 1020 HE1 PHE 132 HE1 PHE 132 -24.684 29.072 11.706 1021 HE2 PHE 132 HE2 PHE 132 -20.914 27.136 12.170 1022 HZ PHE 132 HZ PHE 132 -22.442 28.537 10.839 1023 H ILE 133 H ILE 133 -23.992 24.052 16.211 1024 HA ILE 133 HA ILE 133 -24.218 22.549 13.839 1025 HB ILE 133 HB ILE 133 -23.268 20.683 15.118 1026 HG12 ILE 133 HG12 ILE 133 -23.078 22.337 17.584 1027 HG13 ILE 133 HG13 ILE 133 -24.628 21.576 17.242 1028 HG21 ILE 133 HG21 ILE 133 -21.419 22.418 16.241 1029 HG22 ILE 133 HG22 ILE 133 -21.393 21.765 14.604 1030 HG23 ILE 133 HG23 ILE 133 -22.132 23.335 14.915 1031 HD11 ILE 133 HD11 ILE 133 -23.732 19.428 17.398 1032 HD12 ILE 133 HD12 ILE 133 -22.075 20.011 17.244 1033 HD13 ILE 133 HD13 ILE 133 -22.985 20.320 18.723 1034 H ARG 134 H ARG 134 -26.427 23.059 16.344 1035 HA ARG 134 HA ARG 134 -27.807 20.520 15.979 1036 HB2 ARG 134 HB2 ARG 134 -27.655 21.403 18.242 1037 HB3 ARG 134 HB3 ARG 134 -28.429 22.899 17.737 1038 HG2 ARG 134 HG2 ARG 134 -30.272 21.052 16.969 1039 HG3 ARG 134 HG3 ARG 134 -29.600 20.307 18.421 1040 HD2 ARG 134 HD2 ARG 134 -30.234 23.189 18.586 1041 HD3 ARG 134 HD3 ARG 134 -31.607 22.089 18.465 1042 HE ARG 134 HE ARG 134 -29.706 21.287 20.451 1043 HH11 ARG 134 HH11 ARG 134 -32.425 23.363 19.802 1044 HH12 ARG 134 HH12 ARG 134 -32.913 23.461 21.462 1045 HH21 ARG 134 HH21 ARG 134 -30.338 21.409 22.640 1046 HH22 ARG 134 HH22 ARG 134 -31.725 22.350 23.075 1047 H GLN 135 H GLN 135 -28.288 23.964 15.344 1048 HA GLN 135 HA GLN 135 -30.909 23.747 14.317 1049 HB2 GLN 135 HB2 GLN 135 -30.597 25.983 13.479 1050 HB3 GLN 135 HB3 GLN 135 -29.854 25.871 15.068 1051 HG2 GLN 135 HG2 GLN 135 -27.866 26.439 14.273 1052 HG3 GLN 135 HG3 GLN 135 -27.963 25.243 12.982 1053 HE21 GLN 135 HE21 GLN 135 -27.305 26.369 11.261 1054 HE22 GLN 135 HE22 GLN 135 -28.046 27.819 10.684 1055 H LYS 136 H LYS 136 -27.765 23.229 12.923 1056 HA LYS 136 HA LYS 136 -28.505 23.385 10.196 1057 HB2 LYS 136 HB2 LYS 136 -26.410 22.011 9.844 1058 HB3 LYS 136 HB3 LYS 136 -26.191 23.527 10.709 1059 HG2 LYS 136 HG2 LYS 136 -25.794 22.475 12.725 1060 HG3 LYS 136 HG3 LYS 136 -26.610 20.991 12.228 1061 HD2 LYS 136 HD2 LYS 136 -24.268 21.721 10.609 1062 HD3 LYS 136 HD3 LYS 136 -23.914 21.322 12.291 1063 HE2 LYS 136 HE2 LYS 136 -24.536 19.148 12.048 1064 HE3 LYS 136 HE3 LYS 136 -25.758 19.520 10.832 1065 HZ1 LYS 136 HZ1 LYS 136 -24.246 18.590 9.473 1066 HZ2 LYS 136 HZ2 LYS 136 -22.939 18.906 10.499 1067 HZ3 LYS 136 HZ3 LYS 136 -23.544 20.130 9.500 1068 H ARG 137 H ARG 137 -29.306 21.158 12.582 1069 HA ARG 137 HA ARG 137 -30.556 19.420 10.650 1070 HB2 ARG 137 HB2 ARG 137 -28.374 18.390 10.707 1071 HB3 ARG 137 HB3 ARG 137 -28.371 18.395 12.465 1072 HG2 ARG 137 HG2 ARG 137 -28.829 16.177 11.501 1073 HG3 ARG 137 HG3 ARG 137 -30.140 16.768 12.524 1074 HD2 ARG 137 HD2 ARG 137 -30.493 17.578 9.771 1075 HD3 ARG 137 HD3 ARG 137 -30.342 15.827 9.912 1076 HE ARG 137 HE ARG 137 -32.531 17.454 10.806 1077 HH11 ARG 137 HH11 ARG 137 -30.820 14.459 11.282 1078 HH12 ARG 137 HH12 ARG 137 -32.178 13.644 11.984 1079 HH21 ARG 137 HH21 ARG 137 -34.326 16.391 11.728 1080 HH22 ARG 137 HH22 ARG 137 -34.172 14.743 12.236 1081 H ARG 138 H ARG 138 -29.565 18.537 13.913 1082 HA ARG 138 HA ARG 138 -31.750 19.451 15.357 1083 HB2 ARG 138 HB2 ARG 138 -33.233 18.160 14.028 1084 HB3 ARG 138 HB3 ARG 138 -32.172 16.758 14.074 1085 HG2 ARG 138 HG2 ARG 138 -33.094 16.005 15.949 1086 HG3 ARG 138 HG3 ARG 138 -32.989 17.586 16.726 1087 HD2 ARG 138 HD2 ARG 138 -35.017 17.469 14.636 1088 HD3 ARG 138 HD3 ARG 138 -35.302 16.315 15.939 1089 HE ARG 138 HE ARG 138 -34.741 18.672 17.206 1090 HH11 ARG 138 HH11 ARG 138 -37.067 17.628 14.835 1091 HH12 ARG 138 HH12 ARG 138 -38.283 18.753 15.341 1092 HH21 ARG 138 HH21 ARG 138 -36.334 20.159 17.882 1093 HH22 ARG 138 HH22 ARG 138 -37.864 20.193 17.074 1094 H GLY 139 H GLY 139 -30.667 16.072 15.259 1095 HA2 GLY 139 HA2 GLY 139 -29.572 16.444 17.964 1096 HA3 GLY 139 HA3 GLY 139 -30.067 14.909 17.265 1097 H ALA 140 H ALA 140 -27.910 17.482 16.083 1098 HA ALA 140 HA ALA 140 -26.051 15.726 14.938 1099 HB1 ALA 140 HB1 ALA 140 -25.389 17.657 14.073 1100 HB2 ALA 140 HB2 ALA 140 -26.342 18.550 15.259 1101 HB3 ALA 140 HB3 ALA 140 -24.681 18.088 15.630 1102 H ILE 141 H ILE 141 -25.603 17.712 17.873 1103 HA ILE 141 HA ILE 141 -23.367 16.097 18.708 1104 HB ILE 141 HB ILE 141 -23.176 18.396 19.234 1105 HG12 ILE 141 HG12 ILE 141 -23.983 17.640 21.956 1106 HG13 ILE 141 HG13 ILE 141 -22.962 16.450 21.157 1107 HG21 ILE 141 HG21 ILE 141 -25.229 18.951 21.079 1108 HG22 ILE 141 HG22 ILE 141 -24.988 19.650 19.479 1109 HG23 ILE 141 HG23 ILE 141 -25.994 18.214 19.671 1110 HD11 ILE 141 HD11 ILE 141 -21.783 18.184 22.546 1111 HD12 ILE 141 HD12 ILE 141 -21.208 18.000 20.888 1112 HD13 ILE 141 HD13 ILE 141 -22.247 19.360 21.316 1113 H ASN 142 H ASN 142 -26.732 16.537 19.669 1114 HA ASN 142 HA ASN 142 -28.121 15.003 20.690 1115 HB2 ASN 142 HB2 ASN 142 -26.134 13.344 20.017 1116 HB3 ASN 142 HB3 ASN 142 -25.890 13.350 21.761 1117 HD21 ASN 142 HD21 ASN 142 -26.823 11.251 19.898 1118 HD22 ASN 142 HD22 ASN 142 -28.335 10.714 20.540 1119 H SER 143 H SER 143 -28.673 14.403 22.939 1120 HA SER 143 HA SER 143 -28.094 16.508 24.716 1121 HB2 SER 143 HB2 SER 143 -29.047 14.175 26.119 1122 HB3 SER 143 HB3 SER 143 -29.888 15.687 25.779 1123 HG SER 143 HG SER 143 -30.757 13.629 24.857 1124 H LYS 144 H LYS 144 -27.065 13.102 24.733 1125 HA LYS 144 HA LYS 144 -25.656 12.805 26.973 1126 HB2 LYS 144 HB2 LYS 144 -24.799 12.081 24.175 1127 HB3 LYS 144 HB3 LYS 144 -23.895 11.573 25.595 1128 HG2 LYS 144 HG2 LYS 144 -25.224 9.817 25.775 1129 HG3 LYS 144 HG3 LYS 144 -26.584 10.902 26.076 1130 HD2 LYS 144 HD2 LYS 144 -27.070 11.026 23.720 1131 HD3 LYS 144 HD3 LYS 144 -25.622 10.095 23.333 1132 HE2 LYS 144 HE2 LYS 144 -27.208 8.447 23.231 1133 HE3 LYS 144 HE3 LYS 144 -26.733 8.323 24.925 1134 HZ1 LYS 144 HZ1 LYS 144 -28.917 8.499 25.297 1135 HZ2 LYS 144 HZ2 LYS 144 -29.245 9.156 23.774 1136 HZ3 LYS 144 HZ3 LYS 144 -28.696 10.154 25.024 1137 H GLN 145 H GLN 145 -24.030 14.145 24.092 1138 HA GLN 145 HA GLN 145 -21.815 15.121 25.558 1139 HB2 GLN 145 HB2 GLN 145 -22.680 16.207 22.890 1140 HB3 GLN 145 HB3 GLN 145 -21.050 16.041 23.529 1141 HG2 GLN 145 HG2 GLN 145 -22.872 13.853 22.567 1142 HG3 GLN 145 HG3 GLN 145 -21.355 14.390 21.847 1143 HE21 GLN 145 HE21 GLN 145 -22.300 11.765 22.924 1144 HE22 GLN 145 HE22 GLN 145 -21.074 11.283 24.042 1145 H LEU 146 H LEU 146 -24.855 16.553 24.542 1146 HA LEU 146 HA LEU 146 -24.333 19.241 24.939 1147 HB2 LEU 146 HB2 LEU 146 -26.564 17.681 24.427 1148 HB3 LEU 146 HB3 LEU 146 -26.942 18.475 25.954 1149 HG LEU 146 HG LEU 146 -25.979 20.517 24.331 1150 HD11 LEU 146 HD11 LEU 146 -28.054 19.753 22.576 1151 HD12 LEU 146 HD12 LEU 146 -26.923 18.404 22.670 1152 HD13 LEU 146 HD13 LEU 146 -26.348 20.006 22.208 1153 HD21 LEU 146 HD21 LEU 146 -28.900 19.993 24.485 1154 HD22 LEU 146 HD22 LEU 146 -27.997 21.479 24.784 1155 HD23 LEU 146 HD23 LEU 146 -28.010 20.195 25.994 1156 H THR 147 H THR 147 -25.710 16.971 27.322 1157 HA THR 147 HA THR 147 -25.625 18.772 29.488 1158 HB THR 147 HB THR 147 -26.001 16.855 30.926 1159 HG1 THR 147 HG1 THR 147 -26.055 14.732 29.717 1160 HG21 THR 147 HG21 THR 147 -27.715 15.729 29.007 1161 HG22 THR 147 HG22 THR 147 -27.558 17.433 28.579 1162 HG23 THR 147 HG23 THR 147 -28.102 16.975 30.193 1163 H TYR 148 H TYR 148 -23.277 16.512 28.191 1164 HA TYR 148 HA TYR 148 -21.487 16.345 30.298 1165 HB2 TYR 148 HB2 TYR 148 -21.073 14.942 28.455 1166 HB3 TYR 148 HB3 TYR 148 -21.104 16.282 27.314 1167 HD1 TYR 148 HD2 TYR 148 -19.197 15.592 30.460 1168 HD2 TYR 148 HD1 TYR 148 -19.048 16.584 26.325 1169 HE1 TYR 148 HE2 TYR 148 -16.747 15.756 30.594 1170 HE2 TYR 148 HE1 TYR 148 -16.597 16.749 26.447 1171 HH TYR 148 HH TYR 148 -14.906 17.233 28.896 1172 H LEU 149 H LEU 149 -21.537 18.729 27.654 1173 HA LEU 149 HA LEU 149 -19.377 20.254 28.723 1174 HB2 LEU 149 HB2 LEU 149 -20.606 20.113 26.304 1175 HB3 LEU 149 HB3 LEU 149 -21.267 21.620 26.935 1176 HG LEU 149 HG LEU 149 -19.335 22.056 25.540 1177 HD11 LEU 149 HD11 LEU 149 -19.784 23.096 28.010 1178 HD12 LEU 149 HD12 LEU 149 -18.582 23.696 26.868 1179 HD13 LEU 149 HD13 LEU 149 -18.103 22.580 28.146 1180 HD21 LEU 149 HD21 LEU 149 -17.217 21.141 25.868 1181 HD22 LEU 149 HD22 LEU 149 -18.302 19.769 26.091 1182 HD23 LEU 149 HD23 LEU 149 -17.605 20.580 27.494 1183 H GLU 150 H GLU 150 -22.863 20.352 29.019 1184 HA GLU 150 HA GLU 150 -23.263 22.904 30.004 1185 HB2 GLU 150 HB2 GLU 150 -24.933 20.941 29.523 1186 HB3 GLU 150 HB3 GLU 150 -24.714 20.590 31.232 1187 HG2 GLU 150 HG2 GLU 150 -25.420 23.355 30.361 1188 HG3 GLU 150 HG3 GLU 150 -26.666 22.111 30.457 1189 H LYS 151 H LYS 151 -22.295 19.981 31.757 1190 HA LYS 151 HA LYS 151 -22.031 21.477 34.238 1191 HB2 LYS 151 HB2 LYS 151 -22.056 18.617 33.464 1192 HB3 LYS 151 HB3 LYS 151 -21.066 19.036 34.855 1193 HG2 LYS 151 HG2 LYS 151 -22.958 19.951 36.004 1194 HG3 LYS 151 HG3 LYS 151 -23.974 19.760 34.574 1195 HD2 LYS 151 HD2 LYS 151 -22.612 17.359 35.696 1196 HD3 LYS 151 HD3 LYS 151 -24.029 17.999 36.533 1197 HE2 LYS 151 HE2 LYS 151 -25.404 17.687 34.633 1198 HE3 LYS 151 HE3 LYS 151 -24.016 17.402 33.584 1199 HZ1 LYS 151 HZ1 LYS 151 -23.578 15.355 34.836 1200 HZ2 LYS 151 HZ2 LYS 151 -25.098 15.332 34.094 1201 HZ3 LYS 151 HZ3 LYS 151 -24.973 15.618 35.757 1202 H TYR 152 H TYR 152 -20.055 20.206 31.679 1203 HA TYR 152 HA TYR 152 -17.571 20.265 33.055 1204 HB2 TYR 152 HB2 TYR 152 -18.024 18.990 30.944 1205 HB3 TYR 152 HB3 TYR 152 -18.028 20.523 30.078 1206 HD1 TYR 152 HD2 TYR 152 -15.939 21.836 29.880 1207 HD2 TYR 152 HD1 TYR 152 -15.980 17.958 31.630 1208 HE1 TYR 152 HE2 TYR 152 -13.498 21.697 29.615 1209 HE2 TYR 152 HE1 TYR 152 -13.539 17.809 31.371 1210 HH TYR 152 HH TYR 152 -11.722 20.262 29.635 1211 H ARG 153 H ARG 153 -15.891 21.784 32.932 1212 HA ARG 153 HA ARG 153 -16.747 24.496 32.155 1213 HB2 ARG 153 HB2 ARG 153 -16.586 24.529 34.507 1214 HB3 ARG 153 HB3 ARG 153 -15.127 23.547 34.506 1215 HG2 ARG 153 HG2 ARG 153 -15.008 26.188 33.165 1216 HG3 ARG 153 HG3 ARG 153 -15.075 26.157 34.928 1217 HD2 ARG 153 HD2 ARG 153 -13.210 24.196 34.174 1218 HD3 ARG 153 HD3 ARG 153 -12.866 25.609 33.178 1219 HE ARG 153 HE ARG 153 -13.155 26.596 35.712 1220 HH11 ARG 153 HH11 ARG 153 -11.143 24.187 34.205 1221 HH12 ARG 153 HH12 ARG 153 -9.816 24.426 35.294 1222 HH21 ARG 153 HH21 ARG 153 -11.416 26.920 37.152 1223 HH22 ARG 153 HH22 ARG 153 -9.973 25.981 36.970 1224 HA PRO 154 HA PRO 154 -13.339 24.347 29.335 1225 HB2 PRO 154 HB2 PRO 154 -13.338 26.978 28.667 1226 HB3 PRO 154 HB3 PRO 154 -14.541 25.834 28.061 1227 HG2 PRO 154 HG2 PRO 154 -14.757 27.792 30.315 1228 HG3 PRO 154 HG3 PRO 154 -15.940 27.406 29.052 1229 HD2 PRO 154 HD2 PRO 154 -16.104 26.397 31.559 1230 HD3 PRO 154 HD3 PRO 154 -16.657 25.500 30.131 1231 H LYS 155 H LYS 155 -11.331 24.118 30.089 1232 HA LYS 155 HA LYS 155 -10.286 25.839 32.161 1233 HB2 LYS 155 HB2 LYS 155 -8.421 24.364 32.237 1234 HB3 LYS 155 HB3 LYS 155 -9.846 23.358 32.014 1235 HG2 LYS 155 HG2 LYS 155 -9.284 23.477 29.510 1236 HG3 LYS 155 HG3 LYS 155 -7.698 24.039 30.045 1237 HD2 LYS 155 HD2 LYS 155 -7.242 21.821 30.044 1238 HD3 LYS 155 HD3 LYS 155 -7.981 21.901 31.645 1239 HE2 LYS 155 HE2 LYS 155 -9.024 20.085 30.588 1240 HE3 LYS 155 HE3 LYS 155 -10.186 21.405 30.470 1241 HZ1 LYS 155 HZ1 LYS 155 -10.200 20.604 28.344 1242 HZ2 LYS 155 HZ2 LYS 155 -8.568 20.161 28.362 1243 HZ3 LYS 155 HZ3 LYS 155 -9.000 21.788 28.198 1244 H GLN 156 H GLN 156 -10.696 26.347 29.005 1245 HA GLN 156 HA GLN 156 -9.816 27.805 27.497 1246 HB2 GLN 156 HB2 GLN 156 -7.959 28.740 29.681 1247 HB3 GLN 156 HB3 GLN 156 -8.512 29.642 28.276 1248 HG2 GLN 156 HG2 GLN 156 -10.752 29.735 29.165 1249 HG3 GLN 156 HG3 GLN 156 -10.281 28.723 30.530 1250 HE21 GLN 156 HE21 GLN 156 -11.286 30.688 31.584 1251 HE22 GLN 156 HE22 GLN 156 -10.208 31.969 32.010 1252 H ARG 157 H ARG 157 -8.956 25.703 26.638 1253 HA ARG 157 HA ARG 157 -6.056 25.429 26.896 1254 HB2 ARG 157 HB2 ARG 157 -7.799 23.483 26.977 1255 HB3 ARG 157 HB3 ARG 157 -7.773 23.628 25.225 1256 HG2 ARG 157 HG2 ARG 157 -5.699 22.752 25.044 1257 HG3 ARG 157 HG3 ARG 157 -5.150 23.456 26.567 1258 HD2 ARG 157 HD2 ARG 157 -7.194 21.549 27.122 1259 HD3 ARG 157 HD3 ARG 157 -6.003 20.805 26.056 1260 HE ARG 157 HE ARG 157 -4.779 22.201 28.222 1261 HH11 ARG 157 HH11 ARG 157 -6.376 19.235 27.341 1262 HH12 ARG 157 HH12 ARG 157 -5.605 18.300 28.580 1263 HH21 ARG 157 HH21 ARG 157 -3.758 20.980 29.856 1264 HH22 ARG 157 HH22 ARG 157 -4.117 19.294 30.010 1265 H LEU 158 H LEU 158 -8.466 25.494 24.263 1266 HA LEU 158 HA LEU 158 -6.485 26.046 22.273 1267 HB2 LEU 158 HB2 LEU 158 -9.333 25.490 22.371 1268 HB3 LEU 158 HB3 LEU 158 -8.938 26.740 21.193 1269 HG LEU 158 HG LEU 158 -9.058 24.419 20.273 1270 HD11 LEU 158 HD11 LEU 158 -6.543 24.687 19.341 1271 HD12 LEU 158 HD12 LEU 158 -6.815 26.303 19.992 1272 HD13 LEU 158 HD13 LEU 158 -7.912 25.646 18.777 1273 HD21 LEU 158 HD21 LEU 158 -7.522 22.776 20.824 1274 HD22 LEU 158 HD22 LEU 158 -7.890 23.494 22.392 1275 HD23 LEU 158 HD23 LEU 158 -6.399 23.925 21.553 1276 H ARG 159 H ARG 159 -8.800 27.953 24.112 1277 HA ARG 159 HA ARG 159 -7.319 30.340 23.787 1278 HB2 ARG 159 HB2 ARG 159 -9.069 29.766 21.652 1279 HB3 ARG 159 HB3 ARG 159 -9.850 31.025 22.599 1280 HG2 ARG 159 HG2 ARG 159 -7.105 31.701 22.301 1281 HG3 ARG 159 HG3 ARG 159 -7.760 31.279 20.718 1282 HD2 ARG 159 HD2 ARG 159 -8.445 33.422 20.701 1283 HD3 ARG 159 HD3 ARG 159 -9.762 32.810 21.701 1284 HE ARG 159 HE ARG 159 -8.945 34.065 23.413 1285 HH11 ARG 159 HH11 ARG 159 -6.359 33.466 21.160 1286 HH12 ARG 159 HH12 ARG 159 -5.215 34.451 22.010 1287 HH21 ARG 159 HH21 ARG 159 -7.447 35.365 24.541 1288 HH22 ARG 159 HH22 ARG 159 -5.835 35.529 23.934 1289 H PHE 160 H PHE 160 -9.159 32.274 24.248 1290 HA PHE 160 HA PHE 160 -10.037 31.612 26.922 1291 HB2 PHE 160 HB2 PHE 160 -9.139 33.938 25.658 1292 HB3 PHE 160 HB3 PHE 160 -10.840 34.240 25.997 1293 HD1 PHE 160 HD1 PHE 160 -7.585 33.414 27.505 1294 HD2 PHE 160 HD2 PHE 160 -11.613 34.595 28.209 1295 HE1 PHE 160 HE1 PHE 160 -7.020 33.934 29.843 1296 HE2 PHE 160 HE2 PHE 160 -11.054 35.118 30.548 1297 HZ PHE 160 HZ PHE 160 -8.755 34.789 31.367 1298 H LYS 161 H LYS 161 -11.998 30.912 27.415 1299 HA LYS 161 HA LYS 161 -14.187 31.393 25.503 1300 HB2 LYS 161 HB2 LYS 161 -13.412 28.997 26.045 1301 HB3 LYS 161 HB3 LYS 161 -14.177 29.242 27.609 1302 HG2 LYS 161 HG2 LYS 161 -15.794 29.853 25.207 1303 HG3 LYS 161 HG3 LYS 161 -15.443 28.156 25.541 1304 HD2 LYS 161 HD2 LYS 161 -16.166 29.101 28.008 1305 HD3 LYS 161 HD3 LYS 161 -17.219 30.021 26.931 1306 HE2 LYS 161 HE2 LYS 161 -18.242 28.107 26.095 1307 HE3 LYS 161 HE3 LYS 161 -16.918 27.060 26.603 1308 HZ1 LYS 161 HZ1 LYS 161 -18.083 26.613 28.416 1309 HZ2 LYS 161 HZ2 LYS 161 -19.276 27.738 28.002 1310 HZ3 LYS 161 HZ3 LYS 161 -17.930 28.226 28.902 1311 H ASP 162 H ASP 162 -16.294 31.831 26.343 1312 HA ASP 162 HA ASP 162 -17.708 33.093 27.611 1313 HB2 ASP 162 HB2 ASP 162 -17.777 31.060 28.934 1314 HB3 ASP 162 HB3 ASP 162 -16.316 31.533 29.795 Start of MODEL 6 1 H1 MET 1 H MET 1 3.753 1.597 -2.616 2 HA MET 1 HA MET 1 5.817 -0.304 -2.339 3 HB2 MET 1 HB2 MET 1 3.727 -0.250 -0.232 4 HB3 MET 1 HB3 MET 1 4.164 -1.829 -0.872 5 HG2 MET 1 HG2 MET 1 5.461 -1.343 1.097 6 HG3 MET 1 HG3 MET 1 6.508 -1.396 -0.319 7 HE1 MET 1 HE1 MET 1 5.213 2.049 2.260 8 HE2 MET 1 HE2 MET 1 4.841 0.328 2.358 9 HE3 MET 1 HE3 MET 1 6.391 0.931 2.946 10 H ALA 2 H ALA 2 2.338 0.216 -2.677 11 HA ALA 2 HA ALA 2 2.217 -0.965 -5.229 12 HB1 ALA 2 HB1 ALA 2 1.526 -2.728 -2.916 13 HB2 ALA 2 HB2 ALA 2 0.681 -2.908 -4.455 14 HB3 ALA 2 HB3 ALA 2 2.432 -3.105 -4.382 15 H ARG 3 H ARG 3 -0.139 -1.353 -5.898 16 HA ARG 3 HA ARG 3 -2.240 -0.531 -6.187 17 HB2 ARG 3 HB2 ARG 3 -2.196 0.272 -3.282 18 HB3 ARG 3 HB3 ARG 3 -3.592 -0.126 -4.274 19 HG2 ARG 3 HG2 ARG 3 -2.233 -2.437 -4.447 20 HG3 ARG 3 HG3 ARG 3 -1.712 -1.888 -2.853 21 HD2 ARG 3 HD2 ARG 3 -4.377 -1.403 -2.726 22 HD3 ARG 3 HD3 ARG 3 -4.344 -2.823 -3.771 23 HE ARG 3 HE ARG 3 -2.719 -3.151 -1.447 24 HH11 ARG 3 HH11 ARG 3 -5.989 -3.281 -2.633 25 HH12 ARG 3 HH12 ARG 3 -6.521 -4.403 -1.424 26 HH21 ARG 3 HH21 ARG 3 -3.407 -4.627 0.150 27 HH22 ARG 3 HH22 ARG 3 -5.052 -5.167 0.159 28 H MET 4 H MET 4 -3.549 1.505 -6.129 29 HA MET 4 HA MET 4 -2.484 3.970 -5.328 30 HB2 MET 4 HB2 MET 4 -1.363 2.922 -7.766 31 HB3 MET 4 HB3 MET 4 -2.267 4.392 -8.105 32 HG2 MET 4 HG2 MET 4 -0.691 5.670 -7.217 33 HG3 MET 4 HG3 MET 4 -0.618 4.688 -5.756 34 HE1 MET 4 HE1 MET 4 1.709 3.965 -9.631 35 HE2 MET 4 HE2 MET 4 0.099 4.663 -9.457 36 HE3 MET 4 HE3 MET 4 1.524 5.615 -9.036 37 H ASN 5 H ASN 5 -3.744 5.798 -6.104 38 HA ASN 5 HA ASN 5 -5.911 5.569 -7.870 39 HB2 ASN 5 HB2 ASN 5 -6.409 4.291 -5.425 40 HB3 ASN 5 HB3 ASN 5 -7.262 5.828 -5.322 41 HD21 ASN 5 HD21 ASN 5 -8.444 3.250 -5.433 42 HD22 ASN 5 HD22 ASN 5 -9.393 3.175 -6.875 43 H ARG 6 H ARG 6 -7.702 7.346 -7.055 44 HA ARG 6 HA ARG 6 -6.113 9.727 -6.352 45 HB2 ARG 6 HB2 ARG 6 -8.585 9.648 -8.088 46 HB3 ARG 6 HB3 ARG 6 -7.556 11.040 -7.779 47 HG2 ARG 6 HG2 ARG 6 -6.783 10.426 -9.827 48 HG3 ARG 6 HG3 ARG 6 -5.704 9.476 -8.803 49 HD2 ARG 6 HD2 ARG 6 -6.437 7.599 -9.735 50 HD3 ARG 6 HD3 ARG 6 -8.088 7.983 -9.250 51 HE ARG 6 HE ARG 6 -7.775 9.478 -11.462 52 HH11 ARG 6 HH11 ARG 6 -7.143 6.121 -10.789 53 HH12 ARG 6 HH12 ARG 6 -7.451 5.603 -12.413 54 HH21 ARG 6 HH21 ARG 6 -8.183 8.808 -13.604 55 HH22 ARG 6 HH22 ARG 6 -8.042 7.132 -14.014 56 HA PRO 7 HA PRO 7 -9.337 9.151 -3.071 57 HB2 PRO 7 HB2 PRO 7 -7.673 9.751 -1.011 58 HB3 PRO 7 HB3 PRO 7 -7.824 8.122 -1.681 59 HG2 PRO 7 HG2 PRO 7 -5.733 10.199 -2.204 60 HG3 PRO 7 HG3 PRO 7 -5.537 8.456 -1.940 61 HD2 PRO 7 HD2 PRO 7 -5.485 9.571 -4.407 62 HD3 PRO 7 HD3 PRO 7 -6.110 7.936 -4.111 63 H ALA 8 H ALA 8 -10.651 10.854 -2.954 64 HA ALA 8 HA ALA 8 -9.476 13.540 -2.690 65 HB1 ALA 8 HB1 ALA 8 -11.163 12.743 -4.600 66 HB2 ALA 8 HB2 ALA 8 -12.337 13.242 -3.382 67 HB3 ALA 8 HB3 ALA 8 -11.138 14.392 -3.974 68 HA PRO 9 HA PRO 9 -11.222 12.821 1.481 69 HB2 PRO 9 HB2 PRO 9 -9.448 14.455 2.728 70 HB3 PRO 9 HB3 PRO 9 -9.089 12.770 2.333 71 HG2 PRO 9 HG2 PRO 9 -8.306 15.265 0.876 72 HG3 PRO 9 HG3 PRO 9 -7.333 13.826 1.235 73 HD2 PRO 9 HD2 PRO 9 -8.462 14.254 -1.189 74 HD3 PRO 9 HD3 PRO 9 -8.231 12.627 -0.516 75 H VAL 10 H VAL 10 -11.270 14.861 3.255 76 HA VAL 10 HA VAL 10 -12.538 17.108 1.836 77 HB VAL 10 HB VAL 10 -13.635 15.523 4.143 78 HG11 VAL 10 HG11 VAL 10 -13.745 17.782 4.914 79 HG12 VAL 10 HG12 VAL 10 -14.342 18.343 3.351 80 HG13 VAL 10 HG13 VAL 10 -15.356 17.319 4.369 81 HG21 VAL 10 HG21 VAL 10 -14.183 15.664 1.384 82 HG22 VAL 10 HG22 VAL 10 -15.069 14.773 2.621 83 HG23 VAL 10 HG23 VAL 10 -15.545 16.421 2.212 84 H GLU 11 H GLU 11 -11.516 18.929 2.310 85 HA GLU 11 HA GLU 11 -9.977 19.127 4.780 86 HB2 GLU 11 HB2 GLU 11 -8.570 20.015 3.256 87 HB3 GLU 11 HB3 GLU 11 -9.868 20.368 2.123 88 HG2 GLU 11 HG2 GLU 11 -9.569 22.035 4.575 89 HG3 GLU 11 HG3 GLU 11 -8.493 22.296 3.204 90 H VAL 12 H VAL 12 -10.583 20.302 6.484 91 HA VAL 12 HA VAL 12 -12.778 22.238 6.141 92 HB VAL 12 HB VAL 12 -13.691 20.260 7.213 93 HG11 VAL 12 HG11 VAL 12 -12.820 19.236 9.114 94 HG12 VAL 12 HG12 VAL 12 -11.384 19.606 8.157 95 HG13 VAL 12 HG13 VAL 12 -11.822 20.630 9.525 96 HG21 VAL 12 HG21 VAL 12 -14.537 22.430 7.925 97 HG22 VAL 12 HG22 VAL 12 -14.551 21.285 9.266 98 HG23 VAL 12 HG23 VAL 12 -13.295 22.519 9.173 99 H SER 13 H SER 13 -11.822 24.162 6.382 100 HA SER 13 HA SER 13 -9.579 24.555 8.138 101 HB2 SER 13 HB2 SER 13 -9.224 26.275 6.750 102 HB3 SER 13 HB3 SER 13 -10.760 25.945 5.949 103 HG SER 13 HG SER 13 -11.777 27.305 7.427 104 H TYR 14 H TYR 14 -9.979 24.455 10.264 105 HA TYR 14 HA TYR 14 -12.418 25.218 11.480 106 HB2 TYR 14 HB2 TYR 14 -10.254 23.760 12.275 107 HB3 TYR 14 HB3 TYR 14 -10.018 25.246 13.189 108 HD1 TYR 14 HD2 TYR 14 -13.179 25.690 13.251 109 HD2 TYR 14 HD1 TYR 14 -10.567 22.528 14.384 110 HE1 TYR 14 HE2 TYR 14 -14.826 24.932 14.913 111 HE2 TYR 14 HE1 TYR 14 -12.208 21.760 16.048 112 HH TYR 14 HH TYR 14 -14.460 21.923 16.623 113 H LYS 15 H LYS 15 -11.312 26.637 13.758 114 HA LYS 15 HA LYS 15 -11.207 29.315 12.563 115 HB2 LYS 15 HB2 LYS 15 -11.905 30.134 14.763 116 HB3 LYS 15 HB3 LYS 15 -13.024 28.922 14.153 117 HG2 LYS 15 HG2 LYS 15 -11.591 27.272 15.558 118 HG3 LYS 15 HG3 LYS 15 -11.071 28.734 16.401 119 HD2 LYS 15 HD2 LYS 15 -13.979 28.139 15.960 120 HD3 LYS 15 HD3 LYS 15 -13.099 27.448 17.326 121 HE2 LYS 15 HE2 LYS 15 -13.379 30.386 16.696 122 HE3 LYS 15 HE3 LYS 15 -14.250 29.511 17.954 123 HZ1 LYS 15 HZ1 LYS 15 -12.558 30.284 19.204 124 HZ2 LYS 15 HZ2 LYS 15 -11.489 30.426 17.901 125 HZ3 LYS 15 HZ3 LYS 15 -11.758 28.915 18.614 126 H HIS 16 H HIS 16 -9.134 27.041 13.712 127 HA HIS 16 HA HIS 16 -7.117 29.074 14.331 128 HB2 HIS 16 HB2 HIS 16 -8.102 28.052 16.452 129 HB3 HIS 16 HB3 HIS 16 -7.341 26.542 15.957 130 HD1 HIS 16 HD1 HIS 16 -5.337 26.238 17.364 131 HD2 HIS 16 HD2 HIS 16 -5.780 30.186 16.148 132 HE1 HIS 16 HE1 HIS 16 -3.317 27.445 18.250 133 H MET 17 H MET 17 -7.918 25.815 13.322 134 HA MET 17 HA MET 17 -5.538 25.748 11.668 135 HB2 MET 17 HB2 MET 17 -4.759 24.770 13.782 136 HB3 MET 17 HB3 MET 17 -6.072 23.601 13.730 137 HG2 MET 17 HG2 MET 17 -4.522 22.276 12.811 138 HG3 MET 17 HG3 MET 17 -4.930 23.147 11.335 139 HE1 MET 17 HE1 MET 17 -2.107 26.061 11.857 140 HE2 MET 17 HE2 MET 17 -3.647 25.732 11.063 141 HE3 MET 17 HE3 MET 17 -3.589 25.979 12.809 142 H ARG 18 H ARG 18 -5.697 24.333 9.917 143 HA ARG 18 HA ARG 18 -8.413 23.562 9.258 144 HB2 ARG 18 HB2 ARG 18 -6.899 24.727 7.634 145 HB3 ARG 18 HB3 ARG 18 -5.913 23.272 7.587 146 HG2 ARG 18 HG2 ARG 18 -7.589 22.032 6.524 147 HG3 ARG 18 HG3 ARG 18 -8.837 23.211 6.931 148 HD2 ARG 18 HD2 ARG 18 -6.756 24.482 5.427 149 HD3 ARG 18 HD3 ARG 18 -7.310 23.043 4.572 150 HE ARG 18 HE ARG 18 -9.622 24.241 5.233 151 HH11 ARG 18 HH11 ARG 18 -6.714 25.430 3.731 152 HH12 ARG 18 HH12 ARG 18 -7.534 26.639 2.799 153 HH21 ARG 18 HH21 ARG 18 -10.713 25.828 4.011 154 HH22 ARG 18 HH22 ARG 18 -9.808 26.865 2.959 155 H PHE 19 H PHE 19 -9.135 21.496 8.865 156 HA PHE 19 HA PHE 19 -7.301 19.317 9.620 157 HB2 PHE 19 HB2 PHE 19 -10.184 19.771 10.350 158 HB3 PHE 19 HB3 PHE 19 -9.483 18.156 10.379 159 HD1 PHE 19 HD1 PHE 19 -8.440 21.560 11.510 160 HD2 PHE 19 HD2 PHE 19 -8.900 17.439 12.469 161 HE1 PHE 19 HE1 PHE 19 -7.558 21.990 13.766 162 HE2 PHE 19 HE2 PHE 19 -8.020 17.862 14.726 163 HZ PHE 19 HZ PHE 19 -7.348 20.140 15.378 164 H LEU 20 H LEU 20 -8.182 17.129 8.842 165 HA LEU 20 HA LEU 20 -9.478 17.369 6.221 166 HB2 LEU 20 HB2 LEU 20 -6.731 16.736 6.695 167 HB3 LEU 20 HB3 LEU 20 -7.542 15.322 6.027 168 HG LEU 20 HG LEU 20 -6.578 16.527 4.217 169 HD11 LEU 20 HD11 LEU 20 -8.377 16.120 2.992 170 HD12 LEU 20 HD12 LEU 20 -9.136 17.602 3.573 171 HD13 LEU 20 HD13 LEU 20 -9.359 16.093 4.457 172 HD21 LEU 20 HD21 LEU 20 -8.079 18.975 5.134 173 HD22 LEU 20 HD22 LEU 20 -6.948 18.854 3.786 174 HD23 LEU 20 HD23 LEU 20 -6.366 18.686 5.443 175 H ILE 21 H ILE 21 -11.295 16.243 6.479 176 HA ILE 21 HA ILE 21 -11.342 13.870 8.160 177 HB ILE 21 HB ILE 21 -13.837 13.948 7.188 178 HG12 ILE 21 HG12 ILE 21 -12.970 16.031 5.826 179 HG13 ILE 21 HG13 ILE 21 -14.583 16.034 6.531 180 HG21 ILE 21 HG21 ILE 21 -13.289 14.005 9.529 181 HG22 ILE 21 HG22 ILE 21 -12.718 15.667 9.395 182 HG23 ILE 21 HG23 ILE 21 -14.429 15.303 9.177 183 HD11 ILE 21 HD11 ILE 21 -13.979 17.506 8.212 184 HD12 ILE 21 HD12 ILE 21 -12.258 17.161 8.032 185 HD13 ILE 21 HD13 ILE 21 -13.101 18.110 6.808 186 H THR 22 H THR 22 -11.094 11.880 7.405 187 HA THR 22 HA THR 22 -11.320 11.435 4.508 188 HB THR 22 HB THR 22 -9.840 9.838 6.606 189 HG1 THR 22 HG1 THR 22 -8.913 11.882 5.848 190 HG21 THR 22 HG21 THR 22 -8.955 8.557 4.672 191 HG22 THR 22 HG22 THR 22 -10.110 9.392 3.632 192 HG23 THR 22 HG23 THR 22 -10.687 8.331 4.917 193 H HIS 23 H HIS 23 -12.695 9.945 3.683 194 HA HIS 23 HA HIS 23 -13.976 7.984 5.381 195 HB2 HIS 23 HB2 HIS 23 -16.240 8.715 4.995 196 HB3 HIS 23 HB3 HIS 23 -15.337 10.056 5.695 197 HD1 HIS 23 HD1 HIS 23 -17.726 9.451 3.180 198 HD2 HIS 23 HD2 HIS 23 -14.287 11.774 3.381 199 HE1 HIS 23 HE1 HIS 23 -17.964 11.164 1.353 200 H ASN 24 H ASN 24 -12.283 8.196 2.918 201 HA ASN 24 HA ASN 24 -14.045 6.691 1.096 202 HB2 ASN 24 HB2 ASN 24 -11.594 7.823 -0.071 203 HB3 ASN 24 HB3 ASN 24 -13.241 7.813 -0.696 204 HD21 ASN 24 HD21 ASN 24 -14.537 9.552 -0.379 205 HD22 ASN 24 HD22 ASN 24 -14.012 11.018 0.369 206 HA PRO 25 HA PRO 25 -11.376 3.218 1.344 207 HB2 PRO 25 HB2 PRO 25 -11.329 2.322 -1.218 208 HB3 PRO 25 HB3 PRO 25 -12.746 2.171 -0.174 209 HG2 PRO 25 HG2 PRO 25 -12.166 4.201 -2.296 210 HG3 PRO 25 HG3 PRO 25 -13.678 3.340 -1.955 211 HD2 PRO 25 HD2 PRO 25 -13.237 5.887 -1.148 212 HD3 PRO 25 HD3 PRO 25 -14.236 4.751 -0.219 213 H THR 26 H THR 26 -9.598 2.130 -0.383 214 HA THR 26 HA THR 26 -7.480 2.262 -1.218 215 HB THR 26 HB THR 26 -7.643 5.242 -1.469 216 HG1 THR 26 HG1 THR 26 -8.652 4.578 -3.637 217 HG21 THR 26 HG21 THR 26 -5.613 3.903 -2.122 218 HG22 THR 26 HG22 THR 26 -6.299 4.895 -3.409 219 HG23 THR 26 HG23 THR 26 -6.598 3.157 -3.380 220 H ASN 27 H ASN 27 -7.971 2.421 1.582 221 HA ASN 27 HA ASN 27 -5.570 3.903 2.415 222 HB2 ASN 27 HB2 ASN 27 -8.123 3.653 4.021 223 HB3 ASN 27 HB3 ASN 27 -6.657 4.488 4.524 224 HD21 ASN 27 HD21 ASN 27 -9.033 5.797 4.528 225 HD22 ASN 27 HD22 ASN 27 -9.059 6.984 3.273 226 H ALA 28 H ALA 28 -6.817 0.963 1.966 227 HA ALA 28 HA ALA 28 -6.038 -0.288 4.455 228 HB1 ALA 28 HB1 ALA 28 -6.720 -2.361 3.421 229 HB2 ALA 28 HB2 ALA 28 -7.947 -1.126 3.134 230 HB3 ALA 28 HB3 ALA 28 -6.830 -1.575 1.845 231 H THR 29 H THR 29 -4.363 0.897 1.874 232 HA THR 29 HA THR 29 -2.217 -1.103 2.171 233 HB THR 29 HB THR 29 -2.645 -1.254 -0.080 234 HG1 THR 29 HG1 THR 29 -0.675 -0.667 -0.563 235 HG21 THR 29 HG21 THR 29 -4.443 0.376 -0.169 236 HG22 THR 29 HG22 THR 29 -3.325 0.646 -1.507 237 HG23 THR 29 HG23 THR 29 -3.281 1.699 -0.093 238 H LEU 30 H LEU 30 -3.115 2.213 2.442 239 HA LEU 30 HA LEU 30 -2.042 4.009 3.341 240 HB2 LEU 30 HB2 LEU 30 -1.069 2.037 4.776 241 HB3 LEU 30 HB3 LEU 30 0.407 2.397 3.884 242 HG LEU 30 HG LEU 30 0.307 4.719 4.737 243 HD11 LEU 30 HD11 LEU 30 -2.057 4.939 5.126 244 HD12 LEU 30 HD12 LEU 30 -1.196 5.184 6.645 245 HD13 LEU 30 HD13 LEU 30 -2.017 3.655 6.334 246 HD21 LEU 30 HD21 LEU 30 0.205 2.780 7.029 247 HD22 LEU 30 HD22 LEU 30 1.208 4.219 6.847 248 HD23 LEU 30 HD23 LEU 30 1.530 2.790 5.865 249 H SER 31 H SER 31 -1.366 2.636 0.579 250 HA SER 31 HA SER 31 1.190 3.642 -0.138 251 HB2 SER 31 HB2 SER 31 0.331 1.872 -1.470 252 HB3 SER 31 HB3 SER 31 -1.187 2.723 -1.756 253 HG SER 31 HG SER 31 -0.027 3.042 -3.575 254 H THR 32 H THR 32 -1.953 4.686 -1.452 255 HA THR 32 HA THR 32 -0.871 7.290 -2.075 256 HB THR 32 HB THR 32 -3.715 6.305 -2.372 257 HG1 THR 32 HG1 THR 32 -1.737 6.473 -4.405 258 HG21 THR 32 HG21 THR 32 -3.814 8.112 -4.100 259 HG22 THR 32 HG22 THR 32 -2.240 8.669 -3.531 260 HG23 THR 32 HG23 THR 32 -3.632 8.702 -2.449 261 H PHE 33 H PHE 33 -2.492 5.855 0.551 262 HA PHE 33 HA PHE 33 -4.090 7.861 1.567 263 HB2 PHE 33 HB2 PHE 33 -4.033 5.695 2.617 264 HB3 PHE 33 HB3 PHE 33 -2.331 5.886 3.029 265 HD1 PHE 33 HD2 PHE 33 -1.712 7.760 4.649 266 HD2 PHE 33 HD1 PHE 33 -5.691 6.348 4.105 267 HE1 PHE 33 HE2 PHE 33 -2.346 8.719 6.824 268 HE2 PHE 33 HE1 PHE 33 -6.331 7.306 6.280 269 HZ PHE 33 HZ PHE 33 -4.658 8.492 7.642 270 H ILE 34 H ILE 34 -0.638 7.334 2.289 271 HA ILE 34 HA ILE 34 -0.285 9.632 3.852 272 HB ILE 34 HB ILE 34 1.840 8.359 2.131 273 HG12 ILE 34 HG12 ILE 34 1.269 7.582 4.977 274 HG13 ILE 34 HG13 ILE 34 0.419 6.800 3.649 275 HG21 ILE 34 HG21 ILE 34 2.976 9.076 4.510 276 HG22 ILE 34 HG22 ILE 34 3.030 10.028 3.028 277 HG23 ILE 34 HG23 ILE 34 1.806 10.370 4.251 278 HD11 ILE 34 HD11 ILE 34 2.352 5.814 2.834 279 HD12 ILE 34 HD12 ILE 34 3.405 6.940 3.692 280 HD13 ILE 34 HD13 ILE 34 2.532 5.694 4.584 281 H GLU 35 H GLU 35 0.071 9.109 0.373 282 HA GLU 35 HA GLU 35 1.156 11.630 -0.256 283 HB2 GLU 35 HB2 GLU 35 -0.619 10.002 -2.070 284 HB3 GLU 35 HB3 GLU 35 0.651 11.126 -2.531 285 HG2 GLU 35 HG2 GLU 35 1.837 9.164 -0.888 286 HG3 GLU 35 HG3 GLU 35 0.819 8.325 -2.058 287 H ASP 36 H ASP 36 -2.128 10.527 0.232 288 HA ASP 36 HA ASP 36 -3.439 12.776 -0.883 289 HB2 ASP 36 HB2 ASP 36 -4.554 10.603 -0.453 290 HB3 ASP 36 HB3 ASP 36 -4.428 10.904 1.278 291 H LEU 37 H LEU 37 -2.676 11.919 2.489 292 HA LEU 37 HA LEU 37 -3.597 14.405 3.535 293 HB2 LEU 37 HB2 LEU 37 -2.834 13.648 5.627 294 HB3 LEU 37 HB3 LEU 37 -3.431 12.223 4.780 295 HG LEU 37 HG LEU 37 -0.882 11.960 4.141 296 HD11 LEU 37 HD11 LEU 37 0.157 13.793 5.061 297 HD12 LEU 37 HD12 LEU 37 0.369 12.598 6.339 298 HD13 LEU 37 HD13 LEU 37 -0.896 13.819 6.475 299 HD21 LEU 37 HD21 LEU 37 -0.718 10.834 6.562 300 HD22 LEU 37 HD22 LEU 37 -1.670 10.148 5.245 301 HD23 LEU 37 HD23 LEU 37 -2.458 11.113 6.494 302 H LYS 38 H LYS 38 -0.665 13.344 2.097 303 HA LYS 38 HA LYS 38 0.962 15.437 3.259 304 HB2 LYS 38 HB2 LYS 38 1.422 13.206 1.322 305 HB3 LYS 38 HB3 LYS 38 2.563 14.543 1.365 306 HG2 LYS 38 HG2 LYS 38 2.282 13.906 4.018 307 HG3 LYS 38 HG3 LYS 38 2.198 12.333 3.222 308 HD2 LYS 38 HD2 LYS 38 4.314 14.166 2.278 309 HD3 LYS 38 HD3 LYS 38 4.507 13.526 3.911 310 HE2 LYS 38 HE2 LYS 38 4.673 11.344 3.177 311 HE3 LYS 38 HE3 LYS 38 3.809 11.673 1.676 312 HZ1 LYS 38 HZ1 LYS 38 6.430 12.921 2.151 313 HZ2 LYS 38 HZ2 LYS 38 5.677 12.538 0.686 314 HZ3 LYS 38 HZ3 LYS 38 6.354 11.312 1.634 315 H LYS 39 H LYS 39 -0.550 14.719 0.144 316 HA LYS 39 HA LYS 39 0.488 16.984 -1.213 317 HB2 LYS 39 HB2 LYS 39 -1.043 16.441 -2.969 318 HB3 LYS 39 HB3 LYS 39 -0.434 14.928 -2.312 319 HG2 LYS 39 HG2 LYS 39 -2.486 14.640 -1.034 320 HG3 LYS 39 HG3 LYS 39 -3.097 16.175 -1.656 321 HD2 LYS 39 HD2 LYS 39 -2.291 13.902 -3.456 322 HD3 LYS 39 HD3 LYS 39 -3.926 14.069 -2.810 323 HE2 LYS 39 HE2 LYS 39 -3.008 16.559 -3.932 324 HE3 LYS 39 HE3 LYS 39 -2.872 15.258 -5.114 325 HZ1 LYS 39 HZ1 LYS 39 -5.015 16.006 -5.419 326 HZ2 LYS 39 HZ2 LYS 39 -5.279 16.297 -3.774 327 HZ3 LYS 39 HZ3 LYS 39 -5.260 14.710 -4.359 328 H TYR 40 H TYR 40 -2.443 16.390 0.644 329 HA TYR 40 HA TYR 40 -3.718 18.843 -0.018 330 HB2 TYR 40 HB2 TYR 40 -4.165 16.646 1.924 331 HB3 TYR 40 HB3 TYR 40 -4.876 18.204 2.327 332 HD1 TYR 40 HD2 TYR 40 -4.649 15.764 -0.488 333 HD2 TYR 40 HD1 TYR 40 -6.960 18.755 1.467 334 HE1 TYR 40 HE2 TYR 40 -6.532 15.287 -1.996 335 HE2 TYR 40 HE1 TYR 40 -8.850 18.285 -0.035 336 HH TYR 40 HH TYR 40 -9.503 15.943 -1.492 337 H GLY 41 H GLY 41 -1.035 18.155 1.875 338 HA2 GLY 41 HA2 GLY 41 0.315 19.694 2.988 339 HA3 GLY 41 HA3 GLY 41 -0.992 20.866 2.901 340 H ALA 42 H ALA 42 -1.270 17.604 4.192 341 HA ALA 42 HA ALA 42 -1.850 18.789 6.826 342 HB1 ALA 42 HB1 ALA 42 -3.727 17.610 5.709 343 HB2 ALA 42 HB2 ALA 42 -2.781 16.122 5.773 344 HB3 ALA 42 HB3 ALA 42 -3.283 16.913 7.267 345 H THR 43 H THR 43 -0.304 18.519 8.282 346 HA THR 43 HA THR 43 1.652 16.383 7.962 347 HB THR 43 HB THR 43 2.803 17.511 9.895 348 HG1 THR 43 HG1 THR 43 0.936 18.561 10.756 349 HG21 THR 43 HG21 THR 43 3.193 17.999 7.416 350 HG22 THR 43 HG22 THR 43 3.743 19.216 8.569 351 HG23 THR 43 HG23 THR 43 2.243 19.461 7.675 352 H THR 44 H THR 44 -1.016 15.636 8.714 353 HA THR 44 HA THR 44 -0.381 14.228 11.189 354 HB THR 44 HB THR 44 -3.131 14.955 11.376 355 HG1 THR 44 HG1 THR 44 -1.345 17.163 11.102 356 HG21 THR 44 HG21 THR 44 -0.970 16.081 13.118 357 HG22 THR 44 HG22 THR 44 -1.309 14.350 13.131 358 HG23 THR 44 HG23 THR 44 -2.574 15.500 13.563 359 H VAL 45 H VAL 45 -1.240 12.203 11.302 360 HA VAL 45 HA VAL 45 -2.506 11.199 8.888 361 HB VAL 45 HB VAL 45 -1.907 9.495 11.278 362 HG11 VAL 45 HG11 VAL 45 -2.243 7.808 9.863 363 HG12 VAL 45 HG12 VAL 45 -2.864 9.003 8.722 364 HG13 VAL 45 HG13 VAL 45 -1.171 8.514 8.655 365 HG21 VAL 45 HG21 VAL 45 0.391 9.192 10.443 366 HG22 VAL 45 HG22 VAL 45 0.120 10.482 9.272 367 HG23 VAL 45 HG23 VAL 45 0.091 10.839 10.999 368 H VAL 46 H VAL 46 -4.530 10.317 8.751 369 HA VAL 46 HA VAL 46 -6.458 11.194 10.680 370 HB VAL 46 HB VAL 46 -8.116 10.479 9.201 371 HG11 VAL 46 HG11 VAL 46 -5.643 11.294 7.713 372 HG12 VAL 46 HG12 VAL 46 -7.172 11.025 6.875 373 HG13 VAL 46 HG13 VAL 46 -7.057 12.261 8.128 374 HG21 VAL 46 HG21 VAL 46 -8.033 8.358 8.523 375 HG22 VAL 46 HG22 VAL 46 -6.991 8.910 7.211 376 HG23 VAL 46 HG23 VAL 46 -6.280 8.292 8.702 377 H ARG 47 H ARG 47 -4.610 9.447 11.870 378 HA ARG 47 HA ARG 47 -5.546 6.785 12.042 379 HB2 ARG 47 HB2 ARG 47 -3.622 8.483 13.514 380 HB3 ARG 47 HB3 ARG 47 -4.283 7.121 14.409 381 HG2 ARG 47 HG2 ARG 47 -3.629 5.771 12.273 382 HG3 ARG 47 HG3 ARG 47 -2.546 7.136 11.990 383 HD2 ARG 47 HD2 ARG 47 -1.100 6.104 13.336 384 HD3 ARG 47 HD3 ARG 47 -2.173 6.545 14.663 385 HE ARG 47 HE ARG 47 -2.830 4.073 13.312 386 HH11 ARG 47 HH11 ARG 47 -1.121 5.597 15.934 387 HH12 ARG 47 HH12 ARG 47 -1.041 4.155 16.892 388 HH21 ARG 47 HH21 ARG 47 -2.731 2.169 14.563 389 HH22 ARG 47 HH22 ARG 47 -1.956 2.206 16.111 390 H VAL 48 H VAL 48 -7.086 9.528 12.929 391 HA VAL 48 HA VAL 48 -8.090 8.943 15.501 392 HB VAL 48 HB VAL 48 -9.389 10.565 13.306 393 HG11 VAL 48 HG11 VAL 48 -10.031 10.117 16.179 394 HG12 VAL 48 HG12 VAL 48 -10.318 11.713 15.483 395 HG13 VAL 48 HG13 VAL 48 -11.109 10.294 14.795 396 HG21 VAL 48 HG21 VAL 48 -7.353 11.228 15.403 397 HG22 VAL 48 HG22 VAL 48 -7.338 11.604 13.680 398 HG23 VAL 48 HG23 VAL 48 -8.431 12.468 14.761 399 H CYS 49 H CYS 49 -8.512 6.635 15.245 400 HA CYS 49 HA CYS 49 -11.224 6.042 15.038 401 HB2 CYS 49 HB2 CYS 49 -11.446 4.875 12.972 402 HB3 CYS 49 HB3 CYS 49 -10.733 6.438 12.590 403 HG CYS 49 HG CYS 49 -8.181 5.492 12.173 404 H GLU 50 H GLU 50 -11.167 3.379 14.215 405 HA GLU 50 HA GLU 50 -9.930 2.167 16.496 406 HB2 GLU 50 HB2 GLU 50 -12.139 1.528 15.243 407 HB3 GLU 50 HB3 GLU 50 -11.065 0.588 14.216 408 HG2 GLU 50 HG2 GLU 50 -11.622 -0.990 15.751 409 HG3 GLU 50 HG3 GLU 50 -10.188 -0.315 16.523 410 H VAL 51 H VAL 51 -7.809 3.177 15.432 411 HA VAL 51 HA VAL 51 -6.558 1.510 13.449 412 HB VAL 51 HB VAL 51 -4.502 2.854 14.019 413 HG11 VAL 51 HG11 VAL 51 -6.706 4.772 13.451 414 HG12 VAL 51 HG12 VAL 51 -5.148 4.568 12.647 415 HG13 VAL 51 HG13 VAL 51 -6.454 3.421 12.345 416 HG21 VAL 51 HG21 VAL 51 -5.665 3.354 16.373 417 HG22 VAL 51 HG22 VAL 51 -4.466 4.429 15.653 418 HG23 VAL 51 HG23 VAL 51 -6.185 4.792 15.493 419 H THR 52 H THR 52 -4.840 0.089 13.739 420 HA THR 52 HA THR 52 -3.949 -0.546 16.431 421 HB THR 52 HB THR 52 -4.530 -2.883 16.348 422 HG1 THR 52 HG1 THR 52 -5.089 -3.820 14.532 423 HG21 THR 52 HG21 THR 52 -6.963 -2.759 16.486 424 HG22 THR 52 HG22 THR 52 -6.945 -1.211 15.640 425 HG23 THR 52 HG23 THR 52 -6.227 -1.348 17.245 426 H TYR 53 H TYR 53 -2.826 0.433 13.851 427 HA TYR 53 HA TYR 53 -0.756 -1.637 13.530 428 HB2 TYR 53 HB2 TYR 53 -0.557 -1.094 11.187 429 HB3 TYR 53 HB3 TYR 53 -2.242 -1.467 11.534 430 HD1 TYR 53 HD2 TYR 53 -3.941 0.280 11.478 431 HD2 TYR 53 HD1 TYR 53 0.128 1.153 10.590 432 HE1 TYR 53 HE2 TYR 53 -4.622 2.431 10.500 433 HE2 TYR 53 HE1 TYR 53 -0.542 3.307 9.611 434 HH TYR 53 HH TYR 53 -2.258 4.812 9.471 435 H ASP 54 H ASP 54 1.315 -0.982 13.689 436 HA ASP 54 HA ASP 54 1.934 1.496 14.848 437 HB2 ASP 54 HB2 ASP 54 3.501 -0.777 13.735 438 HB3 ASP 54 HB3 ASP 54 4.345 0.752 13.967 439 H LYS 55 H LYS 55 3.299 3.200 14.000 440 HA LYS 55 HA LYS 55 2.656 3.778 11.197 441 HB2 LYS 55 HB2 LYS 55 3.686 6.102 12.164 442 HB3 LYS 55 HB3 LYS 55 1.977 5.686 12.191 443 HG2 LYS 55 HG2 LYS 55 2.542 6.475 14.350 444 HG3 LYS 55 HG3 LYS 55 2.340 4.727 14.476 445 HD2 LYS 55 HD2 LYS 55 4.664 4.363 14.601 446 HD3 LYS 55 HD3 LYS 55 5.030 5.998 14.043 447 HE2 LYS 55 HE2 LYS 55 4.612 6.936 16.089 448 HE3 LYS 55 HE3 LYS 55 3.458 5.684 16.548 449 HZ1 LYS 55 HZ1 LYS 55 5.925 5.837 17.523 450 HZ2 LYS 55 HZ2 LYS 55 6.207 4.811 16.209 451 HZ3 LYS 55 HZ3 LYS 55 5.071 4.383 17.388 452 H THR 56 H THR 56 4.223 2.995 9.915 453 HA THR 56 HA THR 56 7.023 3.320 10.703 454 HB THR 56 HB THR 56 7.361 1.370 9.686 455 HG1 THR 56 HG1 THR 56 6.795 1.225 7.355 456 HG21 THR 56 HG21 THR 56 5.488 0.038 8.891 457 HG22 THR 56 HG22 THR 56 4.475 1.479 8.799 458 HG23 THR 56 HG23 THR 56 5.038 0.894 10.365 459 HA PRO 57 HA PRO 57 6.928 5.436 6.358 460 HB2 PRO 57 HB2 PRO 57 4.493 5.857 5.234 461 HB3 PRO 57 HB3 PRO 57 5.430 4.381 4.971 462 HG2 PRO 57 HG2 PRO 57 3.149 4.868 6.848 463 HG3 PRO 57 HG3 PRO 57 3.461 3.468 5.805 464 HD2 PRO 57 HD2 PRO 57 4.013 3.461 8.456 465 HD3 PRO 57 HD3 PRO 57 4.978 2.550 7.277 466 H LEU 58 H LEU 58 3.654 6.362 7.390 467 HA LEU 58 HA LEU 58 3.954 9.083 7.194 468 HB2 LEU 58 HB2 LEU 58 2.039 9.309 8.602 469 HB3 LEU 58 HB3 LEU 58 1.829 7.876 7.597 470 HG LEU 58 HG LEU 58 1.009 7.387 9.786 471 HD11 LEU 58 HD11 LEU 58 3.708 6.087 9.740 472 HD12 LEU 58 HD12 LEU 58 2.490 5.715 8.521 473 HD13 LEU 58 HD13 LEU 58 2.154 5.408 10.225 474 HD21 LEU 58 HD21 LEU 58 3.577 7.695 11.182 475 HD22 LEU 58 HD22 LEU 58 1.936 8.046 11.726 476 HD23 LEU 58 HD23 LEU 58 2.794 9.202 10.706 477 H GLU 59 H GLU 59 5.336 6.987 9.518 478 HA GLU 59 HA GLU 59 5.692 8.895 11.612 479 HB2 GLU 59 HB2 GLU 59 5.777 6.663 12.319 480 HB3 GLU 59 HB3 GLU 59 6.853 6.192 11.011 481 HG2 GLU 59 HG2 GLU 59 8.718 6.914 12.091 482 HG3 GLU 59 HG3 GLU 59 7.856 8.172 12.975 483 H LYS 60 H LYS 60 8.029 7.405 9.363 484 HA LYS 60 HA LYS 60 10.110 9.223 9.983 485 HB2 LYS 60 HB2 LYS 60 9.824 7.606 7.449 486 HB3 LYS 60 HB3 LYS 60 11.311 8.225 8.156 487 HG2 LYS 60 HG2 LYS 60 9.547 6.048 9.251 488 HG3 LYS 60 HG3 LYS 60 11.174 5.880 8.587 489 HD2 LYS 60 HD2 LYS 60 12.089 7.177 10.416 490 HD3 LYS 60 HD3 LYS 60 10.469 7.472 11.053 491 HE2 LYS 60 HE2 LYS 60 10.744 5.647 12.299 492 HE3 LYS 60 HE3 LYS 60 10.622 4.712 10.810 493 HZ1 LYS 60 HZ1 LYS 60 13.007 4.805 10.571 494 HZ2 LYS 60 HZ2 LYS 60 12.617 4.168 12.089 495 HZ3 LYS 60 HZ3 LYS 60 13.151 5.768 11.955 496 H ASP 61 H ASP 61 7.357 9.447 7.966 497 HA ASP 61 HA ASP 61 8.378 11.369 6.115 498 HB2 ASP 61 HB2 ASP 61 5.826 10.050 6.650 499 HB3 ASP 61 HB3 ASP 61 5.637 11.732 6.162 500 H GLY 62 H GLY 62 7.745 11.568 9.363 501 HA2 GLY 62 HA2 GLY 62 7.847 13.407 10.762 502 HA3 GLY 62 HA3 GLY 62 7.941 14.435 9.340 503 H ILE 63 H ILE 63 5.366 12.123 9.733 504 HA ILE 63 HA ILE 63 3.476 14.357 9.957 505 HB ILE 63 HB ILE 63 3.015 11.502 9.088 506 HG12 ILE 63 HG12 ILE 63 2.606 13.920 7.369 507 HG13 ILE 63 HG13 ILE 63 4.234 13.291 7.594 508 HG21 ILE 63 HG21 ILE 63 1.071 12.415 10.255 509 HG22 ILE 63 HG22 ILE 63 1.083 13.814 9.184 510 HG23 ILE 63 HG23 ILE 63 0.748 12.210 8.534 511 HD11 ILE 63 HD11 ILE 63 3.738 11.293 6.521 512 HD12 ILE 63 HD12 ILE 63 1.999 11.509 6.717 513 HD13 ILE 63 HD13 ILE 63 2.887 12.507 5.566 514 H THR 64 H THR 64 2.269 14.643 11.722 515 HA THR 64 HA THR 64 2.762 13.180 14.087 516 HB THR 64 HB THR 64 0.741 15.273 13.343 517 HG1 THR 64 HG1 THR 64 2.572 15.353 15.488 518 HG21 THR 64 HG21 THR 64 0.041 15.267 15.747 519 HG22 THR 64 HG22 THR 64 0.882 13.727 15.930 520 HG23 THR 64 HG23 THR 64 -0.493 13.856 14.833 521 H VAL 65 H VAL 65 1.906 11.348 14.812 522 HA VAL 65 HA VAL 65 -0.177 10.030 13.308 523 HB VAL 65 HB VAL 65 1.559 8.600 14.048 524 HG11 VAL 65 HG11 VAL 65 1.395 10.203 16.477 525 HG12 VAL 65 HG12 VAL 65 1.567 8.476 16.791 526 HG13 VAL 65 HG13 VAL 65 2.757 9.315 15.795 527 HG21 VAL 65 HG21 VAL 65 -0.182 7.680 16.164 528 HG22 VAL 65 HG22 VAL 65 -1.100 8.165 14.739 529 HG23 VAL 65 HG23 VAL 65 0.169 6.948 14.599 530 H VAL 66 H VAL 66 -2.225 10.601 13.634 531 HA VAL 66 HA VAL 66 -3.097 11.298 16.353 532 HB VAL 66 HB VAL 66 -4.683 11.746 13.833 533 HG11 VAL 66 HG11 VAL 66 -6.029 13.141 15.103 534 HG12 VAL 66 HG12 VAL 66 -5.653 11.840 16.235 535 HG13 VAL 66 HG13 VAL 66 -4.793 13.377 16.339 536 HG21 VAL 66 HG21 VAL 66 -2.718 13.633 15.128 537 HG22 VAL 66 HG22 VAL 66 -2.537 12.862 13.552 538 HG23 VAL 66 HG23 VAL 66 -3.821 14.043 13.814 539 H ASP 67 H ASP 67 -3.412 9.239 17.190 540 HA ASP 67 HA ASP 67 -5.484 7.612 15.874 541 HB2 ASP 67 HB2 ASP 67 -4.552 5.777 17.419 542 HB3 ASP 67 HB3 ASP 67 -3.568 6.262 16.040 543 H TRP 68 H TRP 68 -7.422 7.726 16.771 544 HA TRP 68 HA TRP 68 -7.656 7.794 19.683 545 HB2 TRP 68 HB2 TRP 68 -9.131 9.728 17.883 546 HB3 TRP 68 HB3 TRP 68 -9.297 9.599 19.632 547 HD1 TRP 68 HD1 TRP 68 -7.772 11.794 17.273 548 HE1 TRP 68 HE1 TRP 68 -5.732 13.026 18.245 549 HE3 TRP 68 HE3 TRP 68 -6.931 8.860 21.374 550 HZ2 TRP 68 HZ2 TRP 68 -3.995 12.786 20.457 551 HZ3 TRP 68 HZ3 TRP 68 -5.059 9.429 22.867 552 HH2 TRP 68 HH2 TRP 68 -3.623 11.351 22.416 553 HA PRO 69 HA PRO 69 -10.806 4.820 18.906 554 HB2 PRO 69 HB2 PRO 69 -12.168 5.009 21.247 555 HB3 PRO 69 HB3 PRO 69 -10.586 4.230 21.116 556 HG2 PRO 69 HG2 PRO 69 -11.267 6.990 22.055 557 HG3 PRO 69 HG3 PRO 69 -10.120 5.826 22.742 558 HD2 PRO 69 HD2 PRO 69 -9.337 7.896 21.181 559 HD3 PRO 69 HD3 PRO 69 -8.484 6.339 21.201 560 H PHE 70 H PHE 70 -11.244 7.915 18.441 561 HA PHE 70 HA PHE 70 -14.005 8.363 18.904 562 HB2 PHE 70 HB2 PHE 70 -12.320 9.698 16.784 563 HB3 PHE 70 HB3 PHE 70 -13.748 10.342 17.587 564 HD1 PHE 70 HD2 PHE 70 -12.583 9.083 20.324 565 HD2 PHE 70 HD1 PHE 70 -11.205 11.838 17.386 566 HE1 PHE 70 HE2 PHE 70 -11.148 10.158 22.009 567 HE2 PHE 70 HE1 PHE 70 -9.767 12.916 19.066 568 HZ PHE 70 HZ PHE 70 -9.739 12.077 21.382 569 H ASP 71 H ASP 71 -12.575 6.191 16.913 570 HA ASP 71 HA ASP 71 -13.711 6.339 14.433 571 HB2 ASP 71 HB2 ASP 71 -12.933 4.243 14.199 572 HB3 ASP 71 HB3 ASP 71 -12.363 4.398 15.859 573 H ASP 72 H ASP 72 -15.258 5.384 17.442 574 HA ASP 72 HA ASP 72 -17.847 5.431 16.041 575 HB2 ASP 72 HB2 ASP 72 -16.727 3.376 17.881 576 HB3 ASP 72 HB3 ASP 72 -18.441 3.753 18.035 577 H GLY 73 H GLY 73 -17.256 4.874 19.467 578 HA2 GLY 73 HA2 GLY 73 -18.361 7.555 20.028 579 HA3 GLY 73 HA3 GLY 73 -18.937 6.127 20.874 580 H ALA 74 H ALA 74 -15.857 5.379 20.552 581 HA ALA 74 HA ALA 74 -13.987 5.477 21.850 582 HB1 ALA 74 HB1 ALA 74 -14.762 7.990 23.205 583 HB2 ALA 74 HB2 ALA 74 -13.225 7.516 22.482 584 HB3 ALA 74 HB3 ALA 74 -14.552 8.056 21.455 585 HA PRO 75 HA PRO 75 -15.611 3.598 25.523 586 HB2 PRO 75 HB2 PRO 75 -13.231 2.797 26.554 587 HB3 PRO 75 HB3 PRO 75 -14.017 1.974 25.201 588 HG2 PRO 75 HG2 PRO 75 -11.795 3.979 25.166 589 HG3 PRO 75 HG3 PRO 75 -11.967 2.483 24.230 590 HD2 PRO 75 HD2 PRO 75 -12.513 4.923 23.190 591 HD3 PRO 75 HD3 PRO 75 -13.385 3.457 22.696 592 HA PRO 76 HA PRO 76 -12.960 6.636 28.294 593 HB2 PRO 76 HB2 PRO 76 -12.247 8.907 26.989 594 HB3 PRO 76 HB3 PRO 76 -11.206 7.482 27.075 595 HG2 PRO 76 HG2 PRO 76 -13.008 8.380 24.860 596 HG3 PRO 76 HG3 PRO 76 -11.359 7.733 24.768 597 HD2 PRO 76 HD2 PRO 76 -13.547 6.222 24.259 598 HD3 PRO 76 HD3 PRO 76 -12.069 5.550 24.978 599 HA PRO 77 HA PRO 77 -17.038 8.579 28.513 600 HB2 PRO 77 HB2 PRO 77 -17.043 8.769 31.222 601 HB3 PRO 77 HB3 PRO 77 -17.442 7.276 30.362 602 HG2 PRO 77 HG2 PRO 77 -14.868 8.086 31.658 603 HG3 PRO 77 HG3 PRO 77 -15.697 6.520 31.701 604 HD2 PRO 77 HD2 PRO 77 -13.589 7.007 30.074 605 HD3 PRO 77 HD3 PRO 77 -14.903 5.901 29.628 606 H GLY 78 H GLY 78 -16.580 10.590 27.634 607 HA2 GLY 78 HA2 GLY 78 -16.264 12.865 27.679 608 HA3 GLY 78 HA3 GLY 78 -16.350 12.757 29.431 609 H LYS 79 H LYS 79 -13.967 10.712 28.300 610 HA LYS 79 HA LYS 79 -11.895 12.516 29.238 611 HB2 LYS 79 HB2 LYS 79 -11.537 10.403 30.110 612 HB3 LYS 79 HB3 LYS 79 -12.063 9.592 28.641 613 HG2 LYS 79 HG2 LYS 79 -9.705 9.272 28.912 614 HG3 LYS 79 HG3 LYS 79 -9.981 10.338 27.532 615 HD2 LYS 79 HD2 LYS 79 -8.460 11.671 28.498 616 HD3 LYS 79 HD3 LYS 79 -9.763 12.115 29.602 617 HE2 LYS 79 HE2 LYS 79 -8.503 11.358 31.270 618 HE3 LYS 79 HE3 LYS 79 -8.721 9.734 30.619 619 HZ1 LYS 79 HZ1 LYS 79 -6.461 11.589 30.230 620 HZ2 LYS 79 HZ2 LYS 79 -6.755 10.349 29.118 621 HZ3 LYS 79 HZ3 LYS 79 -6.436 9.975 30.737 622 H VAL 80 H VAL 80 -13.193 11.413 26.262 623 HA VAL 80 HA VAL 80 -11.062 11.481 24.518 624 HB VAL 80 HB VAL 80 -13.941 12.250 24.174 625 HG11 VAL 80 HG11 VAL 80 -13.274 13.610 22.500 626 HG12 VAL 80 HG12 VAL 80 -11.695 12.836 22.354 627 HG13 VAL 80 HG13 VAL 80 -13.114 12.091 21.619 628 HG21 VAL 80 HG21 VAL 80 -14.023 10.022 23.995 629 HG22 VAL 80 HG22 VAL 80 -13.303 10.251 22.402 630 HG23 VAL 80 HG23 VAL 80 -12.277 9.884 23.789 631 H VAL 81 H VAL 81 -12.801 14.164 25.970 632 HA VAL 81 HA VAL 81 -12.034 16.296 24.432 633 HB VAL 81 HB VAL 81 -12.314 17.711 26.326 634 HG11 VAL 81 HG11 VAL 81 -14.248 16.143 25.484 635 HG12 VAL 81 HG12 VAL 81 -14.117 15.473 27.111 636 HG13 VAL 81 HG13 VAL 81 -14.474 17.186 26.887 637 HG21 VAL 81 HG21 VAL 81 -12.464 16.688 28.642 638 HG22 VAL 81 HG22 VAL 81 -11.716 15.249 27.948 639 HG23 VAL 81 HG23 VAL 81 -10.852 16.787 27.933 640 H GLU 82 H GLU 82 -10.146 14.701 26.974 641 HA GLU 82 HA GLU 82 -7.970 16.403 27.088 642 HB2 GLU 82 HB2 GLU 82 -8.488 13.589 27.742 643 HB3 GLU 82 HB3 GLU 82 -6.804 13.936 27.374 644 HG2 GLU 82 HG2 GLU 82 -7.978 15.903 29.155 645 HG3 GLU 82 HG3 GLU 82 -8.048 14.266 29.805 646 H ASP 83 H ASP 83 -8.315 13.510 25.033 647 HA ASP 83 HA ASP 83 -5.912 13.910 23.609 648 HB2 ASP 83 HB2 ASP 83 -8.386 12.428 22.694 649 HB3 ASP 83 HB3 ASP 83 -6.754 12.234 22.058 650 H TRP 84 H TRP 84 -9.191 15.047 23.117 651 HA TRP 84 HA TRP 84 -9.086 15.894 20.488 652 HB2 TRP 84 HB2 TRP 84 -10.846 16.201 22.632 653 HB3 TRP 84 HB3 TRP 84 -10.430 17.848 22.165 654 HD1 TRP 84 HD1 TRP 84 -13.212 15.931 21.635 655 HE1 TRP 84 HE1 TRP 84 -14.218 16.104 19.272 656 HE3 TRP 84 HE3 TRP 84 -9.165 17.846 19.168 657 HZ2 TRP 84 HZ2 TRP 84 -13.404 16.942 16.703 658 HZ3 TRP 84 HZ3 TRP 84 -9.361 18.305 16.758 659 HH2 TRP 84 HH2 TRP 84 -11.437 17.861 15.553 660 H LEU 85 H LEU 85 -8.634 18.092 23.262 661 HA LEU 85 HA LEU 85 -7.523 20.184 21.788 662 HB2 LEU 85 HB2 LEU 85 -7.037 19.500 24.683 663 HB3 LEU 85 HB3 LEU 85 -6.742 21.064 23.925 664 HG LEU 85 HG LEU 85 -8.751 21.614 24.737 665 HD11 LEU 85 HD11 LEU 85 -9.942 19.723 22.733 666 HD12 LEU 85 HD12 LEU 85 -9.113 21.203 22.255 667 HD13 LEU 85 HD13 LEU 85 -10.552 21.288 23.269 668 HD21 LEU 85 HD21 LEU 85 -9.666 20.222 26.200 669 HD22 LEU 85 HD22 LEU 85 -8.686 18.906 25.553 670 HD23 LEU 85 HD23 LEU 85 -10.289 19.223 24.887 671 H SER 86 H SER 86 -5.965 17.507 23.499 672 HA SER 86 HA SER 86 -3.330 18.203 23.399 673 HB2 SER 86 HB2 SER 86 -4.775 15.609 23.234 674 HB3 SER 86 HB3 SER 86 -3.066 15.600 22.800 675 HG SER 86 HG SER 86 -2.612 15.739 24.837 676 H LEU 87 H LEU 87 -5.003 16.384 20.823 677 HA LEU 87 HA LEU 87 -2.901 16.472 18.976 678 HB2 LEU 87 HB2 LEU 87 -4.503 14.914 18.446 679 HB3 LEU 87 HB3 LEU 87 -5.837 16.007 18.809 680 HG LEU 87 HG LEU 87 -5.182 17.258 16.690 681 HD11 LEU 87 HD11 LEU 87 -3.077 16.544 16.097 682 HD12 LEU 87 HD12 LEU 87 -4.090 15.562 15.040 683 HD13 LEU 87 HD13 LEU 87 -3.412 14.862 16.510 684 HD21 LEU 87 HD21 LEU 87 -7.112 16.188 16.271 685 HD22 LEU 87 HD22 LEU 87 -6.550 14.675 16.983 686 HD23 LEU 87 HD23 LEU 87 -6.093 15.096 15.332 687 H VAL 88 H VAL 88 -5.895 18.417 18.951 688 HA VAL 88 HA VAL 88 -5.299 20.143 16.909 689 HB VAL 88 HB VAL 88 -6.707 20.870 19.483 690 HG11 VAL 88 HG11 VAL 88 -7.793 22.616 18.175 691 HG12 VAL 88 HG12 VAL 88 -6.041 22.830 18.172 692 HG13 VAL 88 HG13 VAL 88 -6.851 22.156 16.757 693 HG21 VAL 88 HG21 VAL 88 -8.397 20.392 17.195 694 HG22 VAL 88 HG22 VAL 88 -7.408 18.977 17.558 695 HG23 VAL 88 HG23 VAL 88 -8.451 19.667 18.801 696 H LYS 89 H LYS 89 -3.892 20.024 20.067 697 HA LYS 89 HA LYS 89 -2.658 22.651 19.779 698 HB2 LYS 89 HB2 LYS 89 -2.813 20.635 21.999 699 HB3 LYS 89 HB3 LYS 89 -1.614 21.921 22.047 700 HG2 LYS 89 HG2 LYS 89 -3.436 23.578 21.856 701 HG3 LYS 89 HG3 LYS 89 -4.604 22.256 21.926 702 HD2 LYS 89 HD2 LYS 89 -4.450 23.117 24.125 703 HD3 LYS 89 HD3 LYS 89 -3.540 21.605 24.127 704 HE2 LYS 89 HE2 LYS 89 -2.391 23.443 25.325 705 HE3 LYS 89 HE3 LYS 89 -1.457 22.800 23.975 706 HZ1 LYS 89 HZ1 LYS 89 -3.167 25.202 23.711 707 HZ2 LYS 89 HZ2 LYS 89 -1.943 24.672 22.671 708 HZ3 LYS 89 HZ3 LYS 89 -1.548 25.296 24.194 709 H ALA 90 H ALA 90 -1.938 19.318 19.306 710 HA ALA 90 HA ALA 90 0.938 19.708 19.329 711 HB1 ALA 90 HB1 ALA 90 -0.610 17.260 18.496 712 HB2 ALA 90 HB2 ALA 90 1.103 17.355 18.904 713 HB3 ALA 90 HB3 ALA 90 -0.116 17.610 20.153 714 H LYS 91 H LYS 91 -1.325 18.389 16.903 715 HA LYS 91 HA LYS 91 0.243 18.404 14.692 716 HB2 LYS 91 HB2 LYS 91 -1.931 19.083 13.437 717 HB3 LYS 91 HB3 LYS 91 -1.895 17.573 14.336 718 HG2 LYS 91 HG2 LYS 91 -3.733 18.247 15.371 719 HG3 LYS 91 HG3 LYS 91 -2.752 19.473 16.178 720 HD2 LYS 91 HD2 LYS 91 -3.582 20.175 13.452 721 HD3 LYS 91 HD3 LYS 91 -4.912 19.992 14.598 722 HE2 LYS 91 HE2 LYS 91 -2.978 21.438 15.980 723 HE3 LYS 91 HE3 LYS 91 -2.957 22.112 14.352 724 HZ1 LYS 91 HZ1 LYS 91 -5.550 22.034 14.731 725 HZ2 LYS 91 HZ2 LYS 91 -4.615 23.345 15.248 726 HZ3 LYS 91 HZ3 LYS 91 -5.084 22.153 16.353 727 H PHE 92 H PHE 92 -1.258 21.197 16.205 728 HA PHE 92 HA PHE 92 -0.377 22.987 14.104 729 HB2 PHE 92 HB2 PHE 92 -2.297 23.904 14.898 730 HB3 PHE 92 HB3 PHE 92 -2.108 23.175 16.489 731 HD1 PHE 92 HD1 PHE 92 -0.666 25.858 14.348 732 HD2 PHE 92 HD2 PHE 92 -1.562 24.512 18.285 733 HE1 PHE 92 HE1 PHE 92 0.055 28.030 15.251 734 HE2 PHE 92 HE2 PHE 92 -0.844 26.682 19.194 735 HZ PHE 92 HZ PHE 92 -0.034 28.445 17.677 736 H CYS 93 H CYS 93 0.707 21.879 17.202 737 HA CYS 93 HA CYS 93 2.646 24.015 17.506 738 HB2 CYS 93 HB2 CYS 93 1.605 23.159 19.519 739 HB3 CYS 93 HB3 CYS 93 2.117 21.521 19.132 740 HG CYS 93 HG CYS 93 4.861 22.109 19.437 741 H GLU 94 H GLU 94 2.461 21.011 15.951 742 HA GLU 94 HA GLU 94 5.355 20.589 16.025 743 HB2 GLU 94 HB2 GLU 94 4.849 18.461 14.865 744 HB3 GLU 94 HB3 GLU 94 4.011 18.614 16.402 745 HG2 GLU 94 HG2 GLU 94 2.153 18.080 15.326 746 HG3 GLU 94 HG3 GLU 94 2.234 19.666 14.561 747 H ALA 95 H ALA 95 2.735 21.350 13.801 748 HA ALA 95 HA ALA 95 4.691 21.697 11.634 749 HB1 ALA 95 HB1 ALA 95 1.986 20.702 11.723 750 HB2 ALA 95 HB2 ALA 95 2.138 22.025 10.567 751 HB3 ALA 95 HB3 ALA 95 3.177 20.607 10.426 752 HA PRO 96 HA PRO 96 4.292 26.066 11.560 753 HB2 PRO 96 HB2 PRO 96 4.172 26.619 8.905 754 HB3 PRO 96 HB3 PRO 96 5.650 26.074 9.707 755 HG2 PRO 96 HG2 PRO 96 3.679 24.500 8.094 756 HG3 PRO 96 HG3 PRO 96 5.451 24.437 8.067 757 HD2 PRO 96 HD2 PRO 96 3.948 22.610 9.384 758 HD3 PRO 96 HD3 PRO 96 5.558 23.106 9.946 759 H GLY 97 H GLY 97 1.726 24.149 10.945 760 HA2 GLY 97 HA2 GLY 97 -0.447 25.184 11.534 761 HA3 GLY 97 HA3 GLY 97 -0.040 26.454 10.390 762 H SER 98 H SER 98 0.828 23.246 9.522 763 HA SER 98 HA SER 98 -0.622 23.273 7.135 764 HB2 SER 98 HB2 SER 98 -0.076 20.590 8.199 765 HB3 SER 98 HB3 SER 98 0.470 21.342 6.701 766 HG SER 98 HG SER 98 2.009 22.507 8.007 767 H CYS 99 H CYS 99 -1.787 20.659 7.108 768 HA CYS 99 HA CYS 99 -4.283 21.259 8.534 769 HB2 CYS 99 HB2 CYS 99 -3.735 19.540 6.110 770 HB3 CYS 99 HB3 CYS 99 -5.301 19.640 6.904 771 HG CYS 99 HG CYS 99 -5.463 21.182 4.614 772 H VAL 100 H VAL 100 -5.522 19.416 9.379 773 HA VAL 100 HA VAL 100 -3.733 17.318 10.425 774 HB VAL 100 HB VAL 100 -6.137 17.615 11.986 775 HG11 VAL 100 HG11 VAL 100 -4.526 17.824 13.816 776 HG12 VAL 100 HG12 VAL 100 -4.104 16.495 12.734 777 HG13 VAL 100 HG13 VAL 100 -3.222 18.020 12.646 778 HG21 VAL 100 HG21 VAL 100 -4.422 20.084 11.735 779 HG22 VAL 100 HG22 VAL 100 -6.101 19.931 11.218 780 HG23 VAL 100 HG23 VAL 100 -5.693 19.830 12.931 781 H ALA 101 H ALA 101 -4.112 15.479 9.373 782 HA ALA 101 HA ALA 101 -6.707 14.881 8.251 783 HB1 ALA 101 HB1 ALA 101 -4.630 12.787 8.285 784 HB2 ALA 101 HB2 ALA 101 -5.648 13.359 6.963 785 HB3 ALA 101 HB3 ALA 101 -4.218 14.277 7.437 786 H VAL 102 H VAL 102 -8.283 13.938 9.352 787 HA VAL 102 HA VAL 102 -7.596 11.937 11.392 788 HB VAL 102 HB VAL 102 -9.393 12.773 12.851 789 HG11 VAL 102 HG11 VAL 102 -8.149 14.478 13.846 790 HG12 VAL 102 HG12 VAL 102 -6.945 13.546 12.953 791 HG13 VAL 102 HG13 VAL 102 -7.546 15.070 12.298 792 HG21 VAL 102 HG21 VAL 102 -10.676 13.874 10.998 793 HG22 VAL 102 HG22 VAL 102 -10.504 14.846 12.459 794 HG23 VAL 102 HG23 VAL 102 -9.499 15.187 11.051 795 H HIS 103 H HIS 103 -9.037 10.241 11.611 796 HA HIS 103 HA HIS 103 -10.713 9.740 9.326 797 HB2 HIS 103 HB2 HIS 103 -9.384 8.172 11.293 798 HB3 HIS 103 HB3 HIS 103 -11.098 7.774 11.363 799 HD1 HIS 103 HD1 HIS 103 -11.721 8.017 8.323 800 HD2 HIS 103 HD2 HIS 103 -8.476 5.981 9.931 801 HE1 HIS 103 HE1 HIS 103 -11.054 6.331 6.580 802 H CYS 104 H CYS 104 -12.892 9.786 9.201 803 HA CYS 104 HA CYS 104 -14.509 10.000 11.600 804 HB2 CYS 104 HB2 CYS 104 -14.134 12.248 9.651 805 HB3 CYS 104 HB3 CYS 104 -15.678 12.051 10.471 806 HG CYS 104 HG CYS 104 -14.751 13.782 12.189 807 H VAL 105 H VAL 105 -16.670 9.460 11.282 808 HA VAL 105 HA VAL 105 -17.183 7.896 8.912 809 HB VAL 105 HB VAL 105 -19.239 7.218 9.991 810 HG11 VAL 105 HG11 VAL 105 -16.865 7.306 11.843 811 HG12 VAL 105 HG12 VAL 105 -18.302 6.323 12.131 812 HG13 VAL 105 HG13 VAL 105 -17.300 6.026 10.710 813 HG21 VAL 105 HG21 VAL 105 -19.207 8.351 12.520 814 HG22 VAL 105 HG22 VAL 105 -18.871 9.703 11.439 815 HG23 VAL 105 HG23 VAL 105 -20.327 8.734 11.212 816 H ALA 106 H ALA 106 -20.009 8.262 8.798 817 HA ALA 106 HA ALA 106 -20.239 10.201 6.824 818 HB1 ALA 106 HB1 ALA 106 -22.216 9.230 6.569 819 HB2 ALA 106 HB2 ALA 106 -21.933 8.317 8.051 820 HB3 ALA 106 HB3 ALA 106 -22.766 9.870 8.118 821 H GLY 107 H GLY 107 -20.359 10.519 10.272 822 HA2 GLY 107 HA2 GLY 107 -19.878 12.757 11.145 823 HA3 GLY 107 HA3 GLY 107 -20.984 13.386 9.932 824 H LEU 108 H LEU 108 -23.180 13.351 10.304 825 HA LEU 108 HA LEU 108 -24.951 13.712 11.735 826 HB2 LEU 108 HB2 LEU 108 -24.236 10.812 11.928 827 HB3 LEU 108 HB3 LEU 108 -25.610 11.458 12.823 828 HG LEU 108 HG LEU 108 -25.279 11.525 9.823 829 HD11 LEU 108 HD11 LEU 108 -26.994 9.843 9.758 830 HD12 LEU 108 HD12 LEU 108 -27.145 9.870 11.514 831 HD13 LEU 108 HD13 LEU 108 -25.666 9.268 10.766 832 HD21 LEU 108 HD21 LEU 108 -26.896 13.077 11.558 833 HD22 LEU 108 HD22 LEU 108 -27.947 11.943 10.710 834 HD23 LEU 108 HD23 LEU 108 -26.904 13.033 9.795 835 H GLY 109 H GLY 109 -23.346 11.282 13.747 836 HA2 GLY 109 HA2 GLY 109 -23.705 12.970 16.074 837 HA3 GLY 109 HA3 GLY 109 -23.094 11.322 16.061 838 H ARG 110 H ARG 110 -20.876 10.955 15.618 839 HA ARG 110 HA ARG 110 -19.020 12.356 16.912 840 HB2 ARG 110 HB2 ARG 110 -18.734 10.937 14.271 841 HB3 ARG 110 HB3 ARG 110 -17.349 11.614 15.116 842 HG2 ARG 110 HG2 ARG 110 -19.228 9.570 16.278 843 HG3 ARG 110 HG3 ARG 110 -17.675 9.202 15.525 844 HD2 ARG 110 HD2 ARG 110 -16.835 9.406 17.590 845 HD3 ARG 110 HD3 ARG 110 -16.996 11.142 17.326 846 HE ARG 110 HE ARG 110 -19.430 10.317 18.298 847 HH11 ARG 110 HH11 ARG 110 -16.126 10.232 19.392 848 HH12 ARG 110 HH12 ARG 110 -16.543 10.314 21.071 849 HH21 ARG 110 HH21 ARG 110 -19.992 10.426 20.506 850 HH22 ARG 110 HH22 ARG 110 -18.743 10.424 21.704 851 H ALA 111 H ALA 111 -19.907 13.031 13.533 852 HA ALA 111 HA ALA 111 -18.253 14.993 12.777 853 HB1 ALA 111 HB1 ALA 111 -19.810 14.763 11.170 854 HB2 ALA 111 HB2 ALA 111 -21.119 14.510 12.326 855 HB3 ALA 111 HB3 ALA 111 -20.560 16.145 11.970 856 HA PRO 112 HA PRO 112 -20.398 18.619 15.025 857 HB2 PRO 112 HB2 PRO 112 -22.733 18.163 16.333 858 HB3 PRO 112 HB3 PRO 112 -22.657 18.564 14.613 859 HG2 PRO 112 HG2 PRO 112 -22.963 15.890 15.924 860 HG3 PRO 112 HG3 PRO 112 -23.809 16.546 14.510 861 HD2 PRO 112 HD2 PRO 112 -21.737 14.815 14.296 862 HD3 PRO 112 HD3 PRO 112 -22.056 16.076 13.088 863 H VAL 113 H VAL 113 -21.104 15.606 16.786 864 HA VAL 113 HA VAL 113 -20.833 16.460 19.382 865 HB VAL 113 HB VAL 113 -20.061 13.845 18.108 866 HG11 VAL 113 HG11 VAL 113 -19.882 14.638 21.005 867 HG12 VAL 113 HG12 VAL 113 -19.973 12.960 20.467 868 HG13 VAL 113 HG13 VAL 113 -18.612 13.971 19.980 869 HG21 VAL 113 HG21 VAL 113 -22.361 13.967 18.123 870 HG22 VAL 113 HG22 VAL 113 -22.048 13.184 19.672 871 HG23 VAL 113 HG23 VAL 113 -22.410 14.909 19.613 872 H LEU 114 H LEU 114 -18.195 15.027 17.448 873 HA LEU 114 HA LEU 114 -16.156 15.646 19.280 874 HB2 LEU 114 HB2 LEU 114 -16.374 14.543 16.622 875 HB3 LEU 114 HB3 LEU 114 -14.983 15.617 16.747 876 HG LEU 114 HG LEU 114 -13.936 14.270 18.340 877 HD11 LEU 114 HD11 LEU 114 -15.216 12.258 19.307 878 HD12 LEU 114 HD12 LEU 114 -16.665 13.131 18.810 879 HD13 LEU 114 HD13 LEU 114 -15.548 13.861 19.963 880 HD21 LEU 114 HD21 LEU 114 -14.982 11.882 17.141 881 HD22 LEU 114 HD22 LEU 114 -13.420 12.664 16.897 882 HD23 LEU 114 HD23 LEU 114 -14.810 13.147 15.924 883 H VAL 115 H VAL 115 -16.875 17.217 16.155 884 HA VAL 115 HA VAL 115 -15.115 19.327 16.327 885 HB VAL 115 HB VAL 115 -16.961 18.617 14.508 886 HG11 VAL 115 HG11 VAL 115 -18.775 19.575 15.940 887 HG12 VAL 115 HG12 VAL 115 -18.071 21.169 15.664 888 HG13 VAL 115 HG13 VAL 115 -18.704 20.236 14.307 889 HG21 VAL 115 HG21 VAL 115 -15.860 21.415 14.727 890 HG22 VAL 115 HG22 VAL 115 -14.928 20.015 14.197 891 HG23 VAL 115 HG23 VAL 115 -16.313 20.562 13.252 892 H ALA 116 H ALA 116 -18.162 18.887 17.966 893 HA ALA 116 HA ALA 116 -18.570 21.569 18.770 894 HB1 ALA 116 HB1 ALA 116 -19.923 20.351 20.648 895 HB2 ALA 116 HB2 ALA 116 -20.479 20.304 18.974 896 HB3 ALA 116 HB3 ALA 116 -19.621 18.923 19.657 897 H LEU 117 H LEU 117 -17.034 18.800 20.380 898 HA LEU 117 HA LEU 117 -16.458 20.022 22.817 899 HB2 LEU 117 HB2 LEU 117 -16.234 17.600 22.295 900 HB3 LEU 117 HB3 LEU 117 -14.769 17.974 21.389 901 HG LEU 117 HG LEU 117 -14.485 17.045 23.740 902 HD11 LEU 117 HD11 LEU 117 -12.492 18.210 24.042 903 HD12 LEU 117 HD12 LEU 117 -13.154 19.706 23.385 904 HD13 LEU 117 HD13 LEU 117 -12.799 18.353 22.311 905 HD21 LEU 117 HD21 LEU 117 -16.217 18.388 24.820 906 HD22 LEU 117 HD22 LEU 117 -15.310 19.857 24.458 907 HD23 LEU 117 HD23 LEU 117 -14.641 18.656 25.565 908 H ALA 118 H ALA 118 -14.351 19.694 19.959 909 HA ALA 118 HA ALA 118 -12.251 21.271 21.005 910 HB1 ALA 118 HB1 ALA 118 -11.230 21.065 18.924 911 HB2 ALA 118 HB2 ALA 118 -12.217 19.608 19.042 912 HB3 ALA 118 HB3 ALA 118 -12.771 20.971 18.069 913 H LEU 119 H LEU 119 -15.123 22.037 19.133 914 HA LEU 119 HA LEU 119 -14.471 24.624 18.317 915 HB2 LEU 119 HB2 LEU 119 -16.382 23.628 17.377 916 HB3 LEU 119 HB3 LEU 119 -17.083 23.293 18.959 917 HG LEU 119 HG LEU 119 -17.639 25.601 19.275 918 HD11 LEU 119 HD11 LEU 119 -17.171 27.255 17.456 919 HD12 LEU 119 HD12 LEU 119 -16.085 26.064 16.739 920 HD13 LEU 119 HD13 LEU 119 -15.750 26.708 18.346 921 HD21 LEU 119 HD21 LEU 119 -19.250 25.919 17.527 922 HD22 LEU 119 HD22 LEU 119 -19.144 24.195 17.883 923 HD23 LEU 119 HD23 LEU 119 -18.357 24.850 16.446 924 H ILE 120 H ILE 120 -16.161 23.549 21.258 925 HA ILE 120 HA ILE 120 -16.529 26.091 22.383 926 HB ILE 120 HB ILE 120 -16.546 23.313 23.439 927 HG12 ILE 120 HG12 ILE 120 -18.789 23.858 24.044 928 HG13 ILE 120 HG13 ILE 120 -18.487 25.584 23.875 929 HG21 ILE 120 HG21 ILE 120 -16.272 25.766 25.158 930 HG22 ILE 120 HG22 ILE 120 -16.953 24.250 25.747 931 HG23 ILE 120 HG23 ILE 120 -15.285 24.305 25.178 932 HD11 ILE 120 HD11 ILE 120 -18.630 25.522 21.593 933 HD12 ILE 120 HD12 ILE 120 -18.170 23.822 21.500 934 HD13 ILE 120 HD13 ILE 120 -19.788 24.270 22.040 935 H GLU 121 H GLU 121 -13.972 23.681 22.968 936 HA GLU 121 HA GLU 121 -12.499 25.239 24.788 937 HB2 GLU 121 HB2 GLU 121 -11.432 23.114 22.923 938 HB3 GLU 121 HB3 GLU 121 -10.684 23.675 24.412 939 HG2 GLU 121 HG2 GLU 121 -13.391 22.748 24.846 940 HG3 GLU 121 HG3 GLU 121 -12.371 21.507 24.121 941 H SER 122 H SER 122 -12.752 25.331 21.351 942 HA SER 122 HA SER 122 -10.272 26.603 20.794 943 HB2 SER 122 HB2 SER 122 -11.625 25.421 19.078 944 HB3 SER 122 HB3 SER 122 -12.839 26.695 19.190 945 HG SER 122 HG SER 122 -10.376 26.699 17.950 946 H GLY 123 H GLY 123 -13.260 27.701 22.084 947 HA2 GLY 123 HA2 GLY 123 -12.944 29.922 23.237 948 HA3 GLY 123 HA3 GLY 123 -12.430 30.504 21.661 949 H MET 124 H MET 124 -15.004 28.195 21.851 950 HA MET 124 HA MET 124 -16.912 30.333 21.169 951 HB2 MET 124 HB2 MET 124 -16.204 28.132 19.660 952 HB3 MET 124 HB3 MET 124 -17.701 27.619 20.426 953 HG2 MET 124 HG2 MET 124 -18.378 28.569 18.417 954 HG3 MET 124 HG3 MET 124 -18.674 29.828 19.613 955 HE1 MET 124 HE1 MET 124 -18.694 31.931 18.389 956 HE2 MET 124 HE2 MET 124 -17.467 32.171 19.633 957 HE3 MET 124 HE3 MET 124 -17.187 32.757 17.992 958 H LYS 125 H LYS 125 -19.075 30.133 21.932 959 HA LYS 125 HA LYS 125 -19.225 29.073 24.599 960 HB2 LYS 125 HB2 LYS 125 -21.783 29.904 23.591 961 HB3 LYS 125 HB3 LYS 125 -20.792 30.645 24.840 962 HG2 LYS 125 HG2 LYS 125 -19.488 31.744 22.976 963 HG3 LYS 125 HG3 LYS 125 -20.763 31.192 21.887 964 HD2 LYS 125 HD2 LYS 125 -22.406 32.483 23.024 965 HD3 LYS 125 HD3 LYS 125 -21.299 32.840 24.352 966 HE2 LYS 125 HE2 LYS 125 -20.916 33.743 21.499 967 HE3 LYS 125 HE3 LYS 125 -21.607 34.735 22.782 968 HZ1 LYS 125 HZ1 LYS 125 -19.363 35.326 22.681 969 HZ2 LYS 125 HZ2 LYS 125 -18.839 33.723 22.545 970 HZ3 LYS 125 HZ3 LYS 125 -19.458 34.288 24.014 971 H TYR 126 H TYR 126 -20.340 27.325 25.328 972 HA TYR 126 HA TYR 126 -20.723 25.120 23.705 973 HB2 TYR 126 HB2 TYR 126 -20.696 24.411 25.858 974 HB3 TYR 126 HB3 TYR 126 -21.475 25.871 26.456 975 HD1 TYR 126 HD2 TYR 126 -22.319 22.864 24.398 976 HD2 TYR 126 HD1 TYR 126 -23.588 25.652 27.350 977 HE1 TYR 126 HE2 TYR 126 -24.429 21.626 24.651 978 HE2 TYR 126 HE1 TYR 126 -25.701 24.422 27.613 979 HH TYR 126 HH TYR 126 -26.702 22.371 27.188 980 H GLU 127 H GLU 127 -23.237 27.289 25.006 981 HA GLU 127 HA GLU 127 -25.415 26.115 23.721 982 HB2 GLU 127 HB2 GLU 127 -25.081 29.043 24.389 983 HB3 GLU 127 HB3 GLU 127 -26.600 28.193 24.144 984 HG2 GLU 127 HG2 GLU 127 -25.331 26.745 26.132 985 HG3 GLU 127 HG3 GLU 127 -24.969 28.426 26.518 986 H ASP 128 H ASP 128 -23.624 29.037 22.729 987 HA ASP 128 HA ASP 128 -24.867 29.501 20.316 988 HB2 ASP 128 HB2 ASP 128 -22.746 30.607 21.641 989 HB3 ASP 128 HB3 ASP 128 -21.952 29.893 20.240 990 H ALA 129 H ALA 129 -21.878 27.613 20.794 991 HA ALA 129 HA ALA 129 -21.504 26.749 18.200 992 HB1 ALA 129 HB1 ALA 129 -20.445 24.692 19.328 993 HB2 ALA 129 HB2 ALA 129 -19.767 26.283 19.678 994 HB3 ALA 129 HB3 ALA 129 -20.837 25.505 20.843 995 H ILE 130 H ILE 130 -23.378 25.143 20.766 996 HA ILE 130 HA ILE 130 -24.188 22.898 19.354 997 HB ILE 130 HB ILE 130 -25.619 24.447 21.509 998 HG12 ILE 130 HG12 ILE 130 -24.102 23.427 22.808 999 HG13 ILE 130 HG13 ILE 130 -24.875 21.900 22.395 1000 HG21 ILE 130 HG21 ILE 130 -27.321 23.287 20.296 1001 HG22 ILE 130 HG22 ILE 130 -26.356 21.813 20.249 1002 HG23 ILE 130 HG23 ILE 130 -27.008 22.391 21.782 1003 HD11 ILE 130 HD11 ILE 130 -22.519 21.725 22.014 1004 HD12 ILE 130 HD12 ILE 130 -23.350 21.711 20.458 1005 HD13 ILE 130 HD13 ILE 130 -22.531 23.173 21.008 1006 H GLN 131 H GLN 131 -26.021 25.934 19.767 1007 HA GLN 131 HA GLN 131 -28.180 25.377 18.169 1008 HB2 GLN 131 HB2 GLN 131 -26.723 27.935 18.750 1009 HB3 GLN 131 HB3 GLN 131 -28.098 27.923 17.653 1010 HG2 GLN 131 HG2 GLN 131 -28.208 28.241 20.370 1011 HG3 GLN 131 HG3 GLN 131 -29.558 27.808 19.322 1012 HE21 GLN 131 HE21 GLN 131 -27.333 26.729 21.716 1013 HE22 GLN 131 HE22 GLN 131 -28.015 25.160 21.956 1014 H PHE 132 H PHE 132 -24.942 26.304 17.198 1015 HA PHE 132 HA PHE 132 -25.551 26.810 14.470 1016 HB2 PHE 132 HB2 PHE 132 -23.468 27.526 15.795 1017 HB3 PHE 132 HB3 PHE 132 -22.865 25.901 15.486 1018 HD1 PHE 132 HD1 PHE 132 -24.780 28.203 13.280 1019 HD2 PHE 132 HD2 PHE 132 -21.120 26.150 13.991 1020 HE1 PHE 132 HE1 PHE 132 -23.946 28.934 11.083 1021 HE2 PHE 132 HE2 PHE 132 -20.280 26.878 11.797 1022 HZ PHE 132 HZ PHE 132 -21.693 28.273 10.340 1023 H ILE 133 H ILE 133 -23.672 24.111 15.854 1024 HA ILE 133 HA ILE 133 -23.839 22.494 13.563 1025 HB ILE 133 HB ILE 133 -23.127 20.637 15.024 1026 HG12 ILE 133 HG12 ILE 133 -22.952 22.482 17.359 1027 HG13 ILE 133 HG13 ILE 133 -24.519 21.768 16.995 1028 HG21 ILE 133 HG21 ILE 133 -21.743 23.286 15.166 1029 HG22 ILE 133 HG22 ILE 133 -21.053 21.868 15.955 1030 HG23 ILE 133 HG23 ILE 133 -21.331 21.860 14.213 1031 HD11 ILE 133 HD11 ILE 133 -22.113 20.020 17.179 1032 HD12 ILE 133 HD12 ILE 133 -22.901 20.596 18.648 1033 HD13 ILE 133 HD13 ILE 133 -23.809 19.639 17.478 1034 H ARG 134 H ARG 134 -26.160 23.219 15.935 1035 HA ARG 134 HA ARG 134 -27.669 20.763 15.572 1036 HB2 ARG 134 HB2 ARG 134 -27.609 21.783 17.792 1037 HB3 ARG 134 HB3 ARG 134 -28.297 23.266 17.146 1038 HG2 ARG 134 HG2 ARG 134 -30.394 22.327 16.866 1039 HG3 ARG 134 HG3 ARG 134 -29.764 20.678 16.872 1040 HD2 ARG 134 HD2 ARG 134 -29.029 21.350 19.319 1041 HD3 ARG 134 HD3 ARG 134 -30.351 22.504 19.146 1042 HE ARG 134 HE ARG 134 -31.184 19.908 18.380 1043 HH11 ARG 134 HH11 ARG 134 -30.444 21.846 21.176 1044 HH12 ARG 134 HH12 ARG 134 -31.495 20.959 22.230 1045 HH21 ARG 134 HH21 ARG 134 -32.571 18.733 19.757 1046 HH22 ARG 134 HH22 ARG 134 -32.704 19.188 21.422 1047 H GLN 135 H GLN 135 -27.927 24.196 14.754 1048 HA GLN 135 HA GLN 135 -30.467 24.008 13.508 1049 HB2 GLN 135 HB2 GLN 135 -30.086 26.232 12.735 1050 HB3 GLN 135 HB3 GLN 135 -29.386 26.120 14.344 1051 HG2 GLN 135 HG2 GLN 135 -27.206 26.142 13.531 1052 HG3 GLN 135 HG3 GLN 135 -27.711 25.706 11.900 1053 HE21 GLN 135 HE21 GLN 135 -29.564 27.432 11.210 1054 HE22 GLN 135 HE22 GLN 135 -28.994 29.061 11.279 1055 H LYS 136 H LYS 136 -27.250 23.293 12.473 1056 HA LYS 136 HA LYS 136 -27.622 23.505 9.679 1057 HB2 LYS 136 HB2 LYS 136 -25.579 22.265 9.468 1058 HB3 LYS 136 HB3 LYS 136 -25.411 23.357 10.836 1059 HG2 LYS 136 HG2 LYS 136 -24.950 21.669 12.188 1060 HG3 LYS 136 HG3 LYS 136 -26.446 20.846 11.737 1061 HD2 LYS 136 HD2 LYS 136 -24.466 19.468 11.277 1062 HD3 LYS 136 HD3 LYS 136 -25.346 19.866 9.800 1063 HE2 LYS 136 HE2 LYS 136 -23.554 20.854 8.933 1064 HE3 LYS 136 HE3 LYS 136 -23.373 21.879 10.356 1065 HZ1 LYS 136 HZ1 LYS 136 -21.418 20.483 9.933 1066 HZ2 LYS 136 HZ2 LYS 136 -22.363 19.095 10.137 1067 HZ3 LYS 136 HZ3 LYS 136 -22.120 20.151 11.436 1068 H ARG 137 H ARG 137 -28.616 21.159 11.995 1069 HA ARG 137 HA ARG 137 -30.302 19.807 10.219 1070 HB2 ARG 137 HB2 ARG 137 -27.837 19.032 9.606 1071 HB3 ARG 137 HB3 ARG 137 -28.092 17.952 10.971 1072 HG2 ARG 137 HG2 ARG 137 -29.815 18.136 8.508 1073 HG3 ARG 137 HG3 ARG 137 -28.655 16.860 8.882 1074 HD2 ARG 137 HD2 ARG 137 -29.956 16.266 10.870 1075 HD3 ARG 137 HD3 ARG 137 -31.114 17.541 10.491 1076 HE ARG 137 HE ARG 137 -30.937 15.880 8.265 1077 HH11 ARG 137 HH11 ARG 137 -31.972 15.699 11.584 1078 HH12 ARG 137 HH12 ARG 137 -33.159 14.474 11.283 1079 HH21 ARG 137 HH21 ARG 137 -32.497 14.267 7.856 1080 HH22 ARG 137 HH22 ARG 137 -33.457 13.660 9.163 1081 H ARG 138 H ARG 138 -31.256 20.601 12.354 1082 HA ARG 138 HA ARG 138 -32.074 20.219 14.456 1083 HB2 ARG 138 HB2 ARG 138 -32.018 17.316 13.648 1084 HB3 ARG 138 HB3 ARG 138 -33.165 18.124 14.708 1085 HG2 ARG 138 HG2 ARG 138 -33.351 19.479 12.282 1086 HG3 ARG 138 HG3 ARG 138 -33.235 17.771 11.853 1087 HD2 ARG 138 HD2 ARG 138 -35.212 17.242 12.862 1088 HD3 ARG 138 HD3 ARG 138 -35.059 18.516 14.072 1089 HE ARG 138 HE ARG 138 -36.229 19.904 12.688 1090 HH11 ARG 138 HH11 ARG 138 -35.001 17.235 10.822 1091 HH12 ARG 138 HH12 ARG 138 -35.846 17.685 9.378 1092 HH21 ARG 138 HH21 ARG 138 -37.348 20.508 10.794 1093 HH22 ARG 138 HH22 ARG 138 -37.180 19.548 9.363 1094 H GLY 139 H GLY 139 -31.856 17.968 16.142 1095 HA2 GLY 139 HA2 GLY 139 -29.556 18.557 17.591 1096 HA3 GLY 139 HA3 GLY 139 -30.499 17.084 17.769 1097 H ALA 140 H ALA 140 -27.711 18.553 16.293 1098 HA ALA 140 HA ALA 140 -26.930 16.107 14.942 1099 HB1 ALA 140 HB1 ALA 140 -26.497 18.677 14.316 1100 HB2 ALA 140 HB2 ALA 140 -25.001 18.330 15.183 1101 HB3 ALA 140 HB3 ALA 140 -25.452 17.362 13.780 1102 H ILE 141 H ILE 141 -25.992 17.987 17.773 1103 HA ILE 141 HA ILE 141 -23.817 16.175 18.407 1104 HB ILE 141 HB ILE 141 -23.320 18.400 18.971 1105 HG12 ILE 141 HG12 ILE 141 -24.217 17.641 21.693 1106 HG13 ILE 141 HG13 ILE 141 -23.211 16.467 20.850 1107 HG21 ILE 141 HG21 ILE 141 -25.055 19.798 19.104 1108 HG22 ILE 141 HG22 ILE 141 -26.149 18.523 19.638 1109 HG23 ILE 141 HG23 ILE 141 -25.127 19.356 20.809 1110 HD11 ILE 141 HD11 ILE 141 -22.069 18.180 22.359 1111 HD12 ILE 141 HD12 ILE 141 -21.399 17.923 20.747 1112 HD13 ILE 141 HD13 ILE 141 -22.399 19.339 21.071 1113 H ASN 142 H ASN 142 -27.089 16.860 19.482 1114 HA ASN 142 HA ASN 142 -28.538 15.378 20.522 1115 HB2 ASN 142 HB2 ASN 142 -26.651 13.620 19.934 1116 HB3 ASN 142 HB3 ASN 142 -26.303 13.749 21.656 1117 HD21 ASN 142 HD21 ASN 142 -26.963 11.365 21.059 1118 HD22 ASN 142 HD22 ASN 142 -28.608 10.982 21.420 1119 H SER 143 H SER 143 -29.211 15.027 22.744 1120 HA SER 143 HA SER 143 -28.532 17.166 24.431 1121 HB2 SER 143 HB2 SER 143 -30.496 15.151 24.372 1122 HB3 SER 143 HB3 SER 143 -29.675 14.973 25.923 1123 HG SER 143 HG SER 143 -29.980 17.409 25.968 1124 H LYS 144 H LYS 144 -27.770 13.699 24.718 1125 HA LYS 144 HA LYS 144 -26.426 13.475 27.006 1126 HB2 LYS 144 HB2 LYS 144 -25.987 12.327 24.321 1127 HB3 LYS 144 HB3 LYS 144 -24.626 12.194 25.427 1128 HG2 LYS 144 HG2 LYS 144 -26.080 10.221 25.481 1129 HG3 LYS 144 HG3 LYS 144 -25.999 11.040 27.043 1130 HD2 LYS 144 HD2 LYS 144 -28.149 12.034 26.709 1131 HD3 LYS 144 HD3 LYS 144 -28.206 11.475 25.036 1132 HE2 LYS 144 HE2 LYS 144 -29.586 10.128 26.618 1133 HE3 LYS 144 HE3 LYS 144 -28.381 9.196 25.731 1134 HZ1 LYS 144 HZ1 LYS 144 -28.660 8.867 28.273 1135 HZ2 LYS 144 HZ2 LYS 144 -27.710 10.262 28.386 1136 HZ3 LYS 144 HZ3 LYS 144 -27.108 8.892 27.598 1137 H GLN 145 H GLN 145 -24.678 14.472 24.056 1138 HA GLN 145 HA GLN 145 -22.393 15.359 25.472 1139 HB2 GLN 145 HB2 GLN 145 -23.171 16.322 22.730 1140 HB3 GLN 145 HB3 GLN 145 -21.557 16.093 23.390 1141 HG2 GLN 145 HG2 GLN 145 -23.521 13.962 22.591 1142 HG3 GLN 145 HG3 GLN 145 -21.986 14.355 21.818 1143 HE21 GLN 145 HE21 GLN 145 -23.356 12.065 23.533 1144 HE22 GLN 145 HE22 GLN 145 -22.033 11.519 24.499 1145 H LEU 146 H LEU 146 -25.274 16.989 24.273 1146 HA LEU 146 HA LEU 146 -24.532 19.635 24.535 1147 HB2 LEU 146 HB2 LEU 146 -26.896 18.226 24.100 1148 HB3 LEU 146 HB3 LEU 146 -27.213 19.209 25.527 1149 HG LEU 146 HG LEU 146 -26.030 20.969 23.734 1150 HD11 LEU 146 HD11 LEU 146 -27.018 18.804 22.239 1151 HD12 LEU 146 HD12 LEU 146 -26.473 20.373 21.646 1152 HD13 LEU 146 HD13 LEU 146 -28.173 20.121 22.039 1153 HD21 LEU 146 HD21 LEU 146 -27.945 22.159 24.043 1154 HD22 LEU 146 HD22 LEU 146 -28.132 20.993 25.353 1155 HD23 LEU 146 HD23 LEU 146 -28.988 20.753 23.829 1156 H THR 147 H THR 147 -26.181 17.667 27.013 1157 HA THR 147 HA THR 147 -25.979 19.578 29.067 1158 HB THR 147 HB THR 147 -26.554 17.801 30.608 1159 HG1 THR 147 HG1 THR 147 -26.339 15.683 30.091 1160 HG21 THR 147 HG21 THR 147 -28.618 17.069 29.645 1161 HG22 THR 147 HG22 THR 147 -27.990 17.268 28.009 1162 HG23 THR 147 HG23 THR 147 -28.285 18.683 29.018 1163 H TYR 148 H TYR 148 -23.806 17.039 27.990 1164 HA TYR 148 HA TYR 148 -22.081 16.834 30.130 1165 HB2 TYR 148 HB2 TYR 148 -21.934 15.440 28.104 1166 HB3 TYR 148 HB3 TYR 148 -21.336 16.825 27.197 1167 HD1 TYR 148 HD2 TYR 148 -20.517 15.003 30.363 1168 HD2 TYR 148 HD1 TYR 148 -19.063 16.916 26.851 1169 HE1 TYR 148 HE2 TYR 148 -18.215 14.422 31.006 1170 HE2 TYR 148 HE1 TYR 148 -16.758 16.339 27.484 1171 HH TYR 148 HH TYR 148 -15.478 15.139 28.885 1172 H LEU 149 H LEU 149 -21.824 19.104 27.395 1173 HA LEU 149 HA LEU 149 -19.613 20.510 28.512 1174 HB2 LEU 149 HB2 LEU 149 -20.653 20.350 26.044 1175 HB3 LEU 149 HB3 LEU 149 -21.366 21.876 26.563 1176 HG LEU 149 HG LEU 149 -19.348 22.301 25.317 1177 HD11 LEU 149 HD11 LEU 149 -18.316 22.828 28.021 1178 HD12 LEU 149 HD12 LEU 149 -19.952 23.404 27.702 1179 HD13 LEU 149 HD13 LEU 149 -18.616 23.934 26.680 1180 HD21 LEU 149 HD21 LEU 149 -18.223 20.176 25.647 1181 HD22 LEU 149 HD22 LEU 149 -17.977 20.549 27.354 1182 HD23 LEU 149 HD23 LEU 149 -17.166 21.508 26.115 1183 H GLU 150 H GLU 150 -23.098 20.932 28.578 1184 HA GLU 150 HA GLU 150 -23.309 23.532 29.489 1185 HB2 GLU 150 HB2 GLU 150 -25.115 21.676 28.952 1186 HB3 GLU 150 HB3 GLU 150 -25.072 21.445 30.694 1187 HG2 GLU 150 HG2 GLU 150 -25.394 24.200 29.624 1188 HG3 GLU 150 HG3 GLU 150 -26.770 23.100 29.580 1189 H LYS 151 H LYS 151 -22.931 20.571 31.423 1190 HA LYS 151 HA LYS 151 -22.689 22.057 33.880 1191 HB2 LYS 151 HB2 LYS 151 -22.755 19.203 33.088 1192 HB3 LYS 151 HB3 LYS 151 -21.861 19.579 34.555 1193 HG2 LYS 151 HG2 LYS 151 -23.838 20.658 35.492 1194 HG3 LYS 151 HG3 LYS 151 -24.737 20.294 34.017 1195 HD2 LYS 151 HD2 LYS 151 -25.270 18.660 35.718 1196 HD3 LYS 151 HD3 LYS 151 -24.358 17.886 34.420 1197 HE2 LYS 151 HE2 LYS 151 -22.740 17.282 35.824 1198 HE3 LYS 151 HE3 LYS 151 -22.588 18.925 36.446 1199 HZ1 LYS 151 HZ1 LYS 151 -23.181 17.485 38.233 1200 HZ2 LYS 151 HZ2 LYS 151 -24.483 16.837 37.371 1201 HZ3 LYS 151 HZ3 LYS 151 -24.528 18.448 37.885 1202 H TYR 152 H TYR 152 -20.561 20.807 31.456 1203 HA TYR 152 HA TYR 152 -18.198 20.851 33.089 1204 HB2 TYR 152 HB2 TYR 152 -18.291 19.325 31.213 1205 HB3 TYR 152 HB3 TYR 152 -18.571 20.655 30.095 1206 HD1 TYR 152 HD1 TYR 152 -16.068 19.798 32.745 1207 HD2 TYR 152 HD2 TYR 152 -16.762 21.224 28.797 1208 HE1 TYR 152 HE1 TYR 152 -13.642 20.011 32.402 1209 HE2 TYR 152 HE2 TYR 152 -14.337 21.440 28.443 1210 HH TYR 152 HH TYR 152 -12.234 20.384 29.411 1211 H ARG 153 H ARG 153 -16.435 22.299 32.882 1212 HA ARG 153 HA ARG 153 -17.193 24.952 31.845 1213 HB2 ARG 153 HB2 ARG 153 -16.195 25.997 33.660 1214 HB3 ARG 153 HB3 ARG 153 -16.910 24.572 34.402 1215 HG2 ARG 153 HG2 ARG 153 -14.847 24.485 35.343 1216 HG3 ARG 153 HG3 ARG 153 -14.529 23.548 33.881 1217 HD2 ARG 153 HD2 ARG 153 -13.305 25.220 32.911 1218 HD3 ARG 153 HD3 ARG 153 -14.169 26.496 33.767 1219 HE ARG 153 HE ARG 153 -12.572 26.402 35.389 1220 HH11 ARG 153 HH11 ARG 153 -12.538 23.399 33.628 1221 HH12 ARG 153 HH12 ARG 153 -11.156 22.774 34.464 1222 HH21 ARG 153 HH21 ARG 153 -10.751 25.590 36.496 1223 HH22 ARG 153 HH22 ARG 153 -10.140 24.020 36.096 1224 HA PRO 154 HA PRO 154 -13.723 24.497 29.137 1225 HB2 PRO 154 HB2 PRO 154 -13.621 27.070 28.276 1226 HB3 PRO 154 HB3 PRO 154 -14.846 25.920 27.726 1227 HG2 PRO 154 HG2 PRO 154 -15.051 28.048 29.822 1228 HG3 PRO 154 HG3 PRO 154 -16.216 27.604 28.561 1229 HD2 PRO 154 HD2 PRO 154 -16.472 26.792 31.131 1230 HD3 PRO 154 HD3 PRO 154 -17.020 25.807 29.760 1231 H LYS 155 H LYS 155 -11.758 24.246 30.002 1232 HA LYS 155 HA LYS 155 -10.704 26.080 31.958 1233 HB2 LYS 155 HB2 LYS 155 -8.826 24.576 32.101 1234 HB3 LYS 155 HB3 LYS 155 -10.306 23.626 32.060 1235 HG2 LYS 155 HG2 LYS 155 -9.550 23.865 29.395 1236 HG3 LYS 155 HG3 LYS 155 -8.043 23.592 30.273 1237 HD2 LYS 155 HD2 LYS 155 -10.443 21.902 30.854 1238 HD3 LYS 155 HD3 LYS 155 -9.442 21.559 29.441 1239 HE2 LYS 155 HE2 LYS 155 -7.559 21.092 30.746 1240 HE3 LYS 155 HE3 LYS 155 -8.230 21.897 32.164 1241 HZ1 LYS 155 HZ1 LYS 155 -8.751 19.213 31.129 1242 HZ2 LYS 155 HZ2 LYS 155 -10.033 20.021 31.879 1243 HZ3 LYS 155 HZ3 LYS 155 -8.597 19.743 32.728 1244 H GLN 156 H GLN 156 -11.024 26.390 28.765 1245 HA GLN 156 HA GLN 156 -10.068 27.720 27.186 1246 HB2 GLN 156 HB2 GLN 156 -8.259 28.761 29.363 1247 HB3 GLN 156 HB3 GLN 156 -8.735 29.575 27.879 1248 HG2 GLN 156 HG2 GLN 156 -10.338 30.569 29.030 1249 HG3 GLN 156 HG3 GLN 156 -11.128 29.000 29.174 1250 HE21 GLN 156 HE21 GLN 156 -11.982 29.390 31.183 1251 HE22 GLN 156 HE22 GLN 156 -11.017 29.508 32.611 1252 H ARG 157 H ARG 157 -9.116 25.116 27.410 1253 HA ARG 157 HA ARG 157 -6.311 24.905 27.523 1254 HB2 ARG 157 HB2 ARG 157 -8.335 23.117 27.364 1255 HB3 ARG 157 HB3 ARG 157 -7.748 23.066 25.707 1256 HG2 ARG 157 HG2 ARG 157 -5.732 22.163 26.300 1257 HG3 ARG 157 HG3 ARG 157 -5.778 22.852 27.924 1258 HD2 ARG 157 HD2 ARG 157 -7.406 21.246 28.630 1259 HD3 ARG 157 HD3 ARG 157 -7.607 20.652 26.982 1260 HE ARG 157 HE ARG 157 -4.980 20.232 27.480 1261 HH11 ARG 157 HH11 ARG 157 -7.906 19.394 29.170 1262 HH12 ARG 157 HH12 ARG 157 -7.248 17.946 29.858 1263 HH21 ARG 157 HH21 ARG 157 -4.103 18.329 28.379 1264 HH22 ARG 157 HH22 ARG 157 -5.084 17.342 29.409 1265 H LEU 158 H LEU 158 -8.454 24.954 24.668 1266 HA LEU 158 HA LEU 158 -6.264 25.302 22.859 1267 HB2 LEU 158 HB2 LEU 158 -9.139 24.900 22.701 1268 HB3 LEU 158 HB3 LEU 158 -8.552 26.047 21.498 1269 HG LEU 158 HG LEU 158 -8.724 23.667 20.726 1270 HD11 LEU 158 HD11 LEU 158 -6.660 25.579 20.326 1271 HD12 LEU 158 HD12 LEU 158 -7.289 24.379 19.198 1272 HD13 LEU 158 HD13 LEU 158 -5.948 23.966 20.267 1273 HD21 LEU 158 HD21 LEU 158 -7.937 22.659 22.853 1274 HD22 LEU 158 HD22 LEU 158 -6.319 23.264 22.499 1275 HD23 LEU 158 HD23 LEU 158 -7.069 22.075 21.433 1276 H ARG 159 H ARG 159 -8.804 27.412 24.151 1277 HA ARG 159 HA ARG 159 -7.136 29.716 23.963 1278 HB2 ARG 159 HB2 ARG 159 -8.884 29.095 21.727 1279 HB3 ARG 159 HB3 ARG 159 -9.275 30.652 22.444 1280 HG2 ARG 159 HG2 ARG 159 -6.772 31.151 22.271 1281 HG3 ARG 159 HG3 ARG 159 -6.708 29.760 21.187 1282 HD2 ARG 159 HD2 ARG 159 -7.396 31.047 19.515 1283 HD3 ARG 159 HD3 ARG 159 -8.898 31.357 20.384 1284 HE ARG 159 HE ARG 159 -6.775 33.017 21.309 1285 HH11 ARG 159 HH11 ARG 159 -9.113 32.627 18.759 1286 HH12 ARG 159 HH12 ARG 159 -9.171 34.316 18.377 1287 HH21 ARG 159 HH21 ARG 159 -6.842 35.242 20.815 1288 HH22 ARG 159 HH22 ARG 159 -7.879 35.802 19.546 1289 H PHE 160 H PHE 160 -8.509 31.760 24.443 1290 HA PHE 160 HA PHE 160 -9.946 31.243 26.848 1291 HB2 PHE 160 HB2 PHE 160 -9.522 33.782 25.263 1292 HB3 PHE 160 HB3 PHE 160 -10.336 33.728 26.823 1293 HD1 PHE 160 HD2 PHE 160 -9.027 32.802 28.807 1294 HD2 PHE 160 HD1 PHE 160 -7.210 33.961 25.137 1295 HE1 PHE 160 HE2 PHE 160 -6.855 32.992 29.947 1296 HE2 PHE 160 HE1 PHE 160 -5.034 34.152 26.270 1297 HZ PHE 160 HZ PHE 160 -4.855 33.668 28.679 1298 H LYS 161 H LYS 161 -12.037 30.853 27.119 1299 HA LYS 161 HA LYS 161 -13.864 31.413 24.879 1300 HB2 LYS 161 HB2 LYS 161 -13.424 29.001 25.831 1301 HB3 LYS 161 HB3 LYS 161 -14.545 29.511 27.087 1302 HG2 LYS 161 HG2 LYS 161 -15.358 29.929 24.267 1303 HG3 LYS 161 HG3 LYS 161 -15.350 28.277 24.890 1304 HD2 LYS 161 HD2 LYS 161 -16.580 30.223 26.698 1305 HD3 LYS 161 HD3 LYS 161 -17.412 30.060 25.150 1306 HE2 LYS 161 HE2 LYS 161 -17.954 27.857 25.522 1307 HE3 LYS 161 HE3 LYS 161 -16.593 27.595 26.612 1308 HZ1 LYS 161 HZ1 LYS 161 -17.925 29.303 28.067 1309 HZ2 LYS 161 HZ2 LYS 161 -18.297 27.654 28.096 1310 HZ3 LYS 161 HZ3 LYS 161 -19.237 28.717 27.175 1311 H ASP 162 H ASP 162 -15.971 32.200 25.341 1312 HA ASP 162 HA ASP 162 -17.380 33.718 26.294 1313 HB2 ASP 162 HB2 ASP 162 -18.078 31.976 27.718 1314 HB3 ASP 162 HB3 ASP 162 -16.572 32.002 28.631 Start of MODEL 7 1 H1 MET 1 H MET 1 -4.225 -4.472 -1.067 2 HA MET 1 HA MET 1 -3.069 -2.223 0.062 3 HB2 MET 1 HB2 MET 1 -1.807 -4.499 1.039 4 HB3 MET 1 HB3 MET 1 -0.737 -3.938 -0.239 5 HG2 MET 1 HG2 MET 1 0.065 -2.368 1.086 6 HG3 MET 1 HG3 MET 1 -1.549 -1.696 1.308 7 HE1 MET 1 HE1 MET 1 -2.499 -2.450 4.768 8 HE2 MET 1 HE2 MET 1 -1.797 -1.068 3.926 9 HE3 MET 1 HE3 MET 1 -3.047 -2.036 3.143 10 H ALA 2 H ALA 2 -1.394 -1.240 -1.332 11 HA ALA 2 HA ALA 2 -0.587 -0.622 -3.368 12 HB1 ALA 2 HB1 ALA 2 0.182 -2.296 -4.868 13 HB2 ALA 2 HB2 ALA 2 0.423 -2.918 -3.235 14 HB3 ALA 2 HB3 ALA 2 -0.932 -3.493 -4.207 15 H ARG 3 H ARG 3 -2.143 0.707 -4.154 16 HA ARG 3 HA ARG 3 -4.047 -0.479 -6.041 17 HB2 ARG 3 HB2 ARG 3 -4.805 1.679 -4.066 18 HB3 ARG 3 HB3 ARG 3 -5.860 0.905 -5.240 19 HG2 ARG 3 HG2 ARG 3 -4.857 -1.208 -3.771 20 HG3 ARG 3 HG3 ARG 3 -5.114 0.062 -2.573 21 HD2 ARG 3 HD2 ARG 3 -7.416 0.350 -3.683 22 HD3 ARG 3 HD3 ARG 3 -7.103 -1.225 -4.411 23 HE ARG 3 HE ARG 3 -6.733 -1.203 -1.568 24 HH11 ARG 3 HH11 ARG 3 -9.071 -1.506 -4.130 25 HH12 ARG 3 HH12 ARG 3 -10.195 -2.413 -3.173 26 HH21 ARG 3 HH21 ARG 3 -8.204 -2.396 -0.298 27 HH22 ARG 3 HH22 ARG 3 -9.702 -2.918 -0.993 28 H MET 4 H MET 4 -2.798 2.609 -4.772 29 HA MET 4 HA MET 4 -2.075 4.497 -5.813 30 HB2 MET 4 HB2 MET 4 -1.161 2.378 -7.397 31 HB3 MET 4 HB3 MET 4 -1.867 3.522 -8.531 32 HG2 MET 4 HG2 MET 4 0.420 4.067 -8.340 33 HG3 MET 4 HG3 MET 4 -0.473 5.303 -7.458 34 HE1 MET 4 HE1 MET 4 1.979 2.837 -7.755 35 HE2 MET 4 HE2 MET 4 3.049 3.283 -6.426 36 HE3 MET 4 HE3 MET 4 1.990 1.880 -6.274 37 H ASN 5 H ASN 5 -3.763 5.871 -5.811 38 HA ASN 5 HA ASN 5 -5.274 6.160 -8.261 39 HB2 ASN 5 HB2 ASN 5 -6.717 5.716 -5.637 40 HB3 ASN 5 HB3 ASN 5 -7.468 6.091 -7.185 41 HD21 ASN 5 HD21 ASN 5 -7.825 4.494 -8.631 42 HD22 ASN 5 HD22 ASN 5 -7.464 2.829 -8.342 43 H ARG 6 H ARG 6 -7.119 7.986 -7.581 44 HA ARG 6 HA ARG 6 -5.529 10.157 -6.382 45 HB2 ARG 6 HB2 ARG 6 -7.770 10.498 -8.372 46 HB3 ARG 6 HB3 ARG 6 -6.596 11.701 -7.855 47 HG2 ARG 6 HG2 ARG 6 -5.671 11.153 -9.845 48 HG3 ARG 6 HG3 ARG 6 -4.904 9.913 -8.852 49 HD2 ARG 6 HD2 ARG 6 -5.827 8.335 -10.110 50 HD3 ARG 6 HD3 ARG 6 -7.430 8.926 -9.676 51 HE ARG 6 HE ARG 6 -6.194 10.444 -11.771 52 HH11 ARG 6 HH11 ARG 6 -8.064 7.601 -11.038 53 HH12 ARG 6 HH12 ARG 6 -8.771 7.500 -12.617 54 HH21 ARG 6 HH21 ARG 6 -7.117 10.321 -13.853 55 HH22 ARG 6 HH22 ARG 6 -8.231 9.047 -14.218 56 HA PRO 7 HA PRO 7 -9.230 9.464 -3.661 57 HB2 PRO 7 HB2 PRO 7 -7.843 9.635 -1.333 58 HB3 PRO 7 HB3 PRO 7 -8.025 8.125 -2.235 59 HG2 PRO 7 HG2 PRO 7 -5.719 10.033 -2.181 60 HG3 PRO 7 HG3 PRO 7 -5.706 8.260 -2.135 61 HD2 PRO 7 HD2 PRO 7 -5.203 9.662 -4.396 62 HD3 PRO 7 HD3 PRO 7 -5.994 8.073 -4.414 63 H ALA 8 H ALA 8 -10.436 11.207 -3.293 64 HA ALA 8 HA ALA 8 -9.093 13.751 -2.667 65 HB1 ALA 8 HB1 ALA 8 -10.514 13.543 -4.766 66 HB2 ALA 8 HB2 ALA 8 -11.906 13.478 -3.685 67 HB3 ALA 8 HB3 ALA 8 -10.864 14.901 -3.698 68 HA PRO 9 HA PRO 9 -11.036 12.771 1.336 69 HB2 PRO 9 HB2 PRO 9 -9.329 14.318 2.773 70 HB3 PRO 9 HB3 PRO 9 -8.936 12.671 2.264 71 HG2 PRO 9 HG2 PRO 9 -8.127 15.279 1.035 72 HG3 PRO 9 HG3 PRO 9 -7.152 13.825 1.319 73 HD2 PRO 9 HD2 PRO 9 -8.193 14.430 -1.106 74 HD3 PRO 9 HD3 PRO 9 -7.969 12.758 -0.553 75 H VAL 10 H VAL 10 -11.164 14.674 3.259 76 HA VAL 10 HA VAL 10 -12.451 16.984 1.960 77 HB VAL 10 HB VAL 10 -13.507 15.248 4.172 78 HG11 VAL 10 HG11 VAL 10 -13.643 17.436 5.109 79 HG12 VAL 10 HG12 VAL 10 -14.239 18.112 3.592 80 HG13 VAL 10 HG13 VAL 10 -15.252 17.010 4.525 81 HG21 VAL 10 HG21 VAL 10 -14.274 14.626 2.013 82 HG22 VAL 10 HG22 VAL 10 -15.598 15.493 2.790 83 HG23 VAL 10 HG23 VAL 10 -14.608 16.302 1.575 84 H GLU 11 H GLU 11 -11.415 18.779 2.502 85 HA GLU 11 HA GLU 11 -9.931 18.893 5.016 86 HB2 GLU 11 HB2 GLU 11 -8.491 19.720 3.456 87 HB3 GLU 11 HB3 GLU 11 -9.783 20.292 2.410 88 HG2 GLU 11 HG2 GLU 11 -10.130 22.216 3.823 89 HG3 GLU 11 HG3 GLU 11 -8.927 21.625 4.968 90 H VAL 12 H VAL 12 -10.701 19.902 6.743 91 HA VAL 12 HA VAL 12 -12.905 21.826 6.376 92 HB VAL 12 HB VAL 12 -13.760 19.973 7.583 93 HG11 VAL 12 HG11 VAL 12 -12.713 18.992 9.519 94 HG12 VAL 12 HG12 VAL 12 -11.560 19.002 8.183 95 HG13 VAL 12 HG13 VAL 12 -11.424 20.194 9.477 96 HG21 VAL 12 HG21 VAL 12 -14.410 20.954 9.678 97 HG22 VAL 12 HG22 VAL 12 -13.018 22.036 9.654 98 HG23 VAL 12 HG23 VAL 12 -14.308 22.232 8.468 99 H SER 13 H SER 13 -12.057 23.813 6.476 100 HA SER 13 HA SER 13 -9.864 24.389 8.302 101 HB2 SER 13 HB2 SER 13 -9.368 26.144 6.948 102 HB3 SER 13 HB3 SER 13 -10.390 25.289 5.792 103 HG SER 13 HG SER 13 -12.112 26.594 6.399 104 H TYR 14 H TYR 14 -10.161 25.182 10.269 105 HA TYR 14 HA TYR 14 -12.806 26.192 11.005 106 HB2 TYR 14 HB2 TYR 14 -10.925 24.541 12.305 107 HB3 TYR 14 HB3 TYR 14 -10.969 26.046 13.218 108 HD1 TYR 14 HD2 TYR 14 -13.564 23.986 11.476 109 HD2 TYR 14 HD1 TYR 14 -12.299 25.848 15.086 110 HE1 TYR 14 HE2 TYR 14 -15.638 23.252 12.574 111 HE2 TYR 14 HE1 TYR 14 -14.370 25.118 16.195 112 HH TYR 14 HH TYR 14 -16.137 22.888 15.505 113 H LYS 15 H LYS 15 -12.149 27.730 13.204 114 HA LYS 15 HA LYS 15 -11.794 30.254 12.149 115 HB2 LYS 15 HB2 LYS 15 -11.317 30.986 14.470 116 HB3 LYS 15 HB3 LYS 15 -12.719 29.929 14.360 117 HG2 LYS 15 HG2 LYS 15 -11.034 28.047 14.934 118 HG3 LYS 15 HG3 LYS 15 -10.017 29.372 15.504 119 HD2 LYS 15 HD2 LYS 15 -12.827 28.768 16.426 120 HD3 LYS 15 HD3 LYS 15 -11.345 28.437 17.327 121 HE2 LYS 15 HE2 LYS 15 -11.628 30.449 18.248 122 HE3 LYS 15 HE3 LYS 15 -11.118 31.109 16.695 123 HZ1 LYS 15 HZ1 LYS 15 -13.231 31.662 16.129 124 HZ2 LYS 15 HZ2 LYS 15 -13.386 31.790 17.809 125 HZ3 LYS 15 HZ3 LYS 15 -13.938 30.404 17.012 126 H HIS 16 H HIS 16 -9.351 28.206 13.730 127 HA HIS 16 HA HIS 16 -7.281 29.583 12.193 128 HB2 HIS 16 HB2 HIS 16 -7.424 29.428 15.190 129 HB3 HIS 16 HB3 HIS 16 -5.866 29.521 14.373 130 HD1 HIS 16 HD1 HIS 16 -6.793 31.557 12.144 131 HD2 HIS 16 HD2 HIS 16 -7.402 31.977 16.233 132 HE1 HIS 16 HE1 HIS 16 -7.085 34.025 12.530 133 H MET 17 H MET 17 -8.535 26.940 12.077 134 HA MET 17 HA MET 17 -6.082 25.360 12.221 135 HB2 MET 17 HB2 MET 17 -8.677 24.201 13.214 136 HB3 MET 17 HB3 MET 17 -7.053 23.549 13.390 137 HG2 MET 17 HG2 MET 17 -7.281 24.368 15.473 138 HG3 MET 17 HG3 MET 17 -6.724 25.849 14.698 139 HE1 MET 17 HE1 MET 17 -7.971 27.534 16.662 140 HE2 MET 17 HE2 MET 17 -9.425 26.866 17.403 141 HE3 MET 17 HE3 MET 17 -7.943 25.911 17.351 142 H ARG 18 H ARG 18 -6.639 23.061 11.234 143 HA ARG 18 HA ARG 18 -8.665 23.028 9.214 144 HB2 ARG 18 HB2 ARG 18 -6.722 24.522 8.341 145 HB3 ARG 18 HB3 ARG 18 -5.867 23.000 8.129 146 HG2 ARG 18 HG2 ARG 18 -7.365 22.246 6.508 147 HG3 ARG 18 HG3 ARG 18 -8.594 23.426 6.967 148 HD2 ARG 18 HD2 ARG 18 -5.959 24.003 5.619 149 HD3 ARG 18 HD3 ARG 18 -7.555 24.068 4.873 150 HE ARG 18 HE ARG 18 -7.461 25.789 7.108 151 HH11 ARG 18 HH11 ARG 18 -6.297 25.502 3.840 152 HH12 ARG 18 HH12 ARG 18 -6.194 27.213 3.588 153 HH21 ARG 18 HH21 ARG 18 -7.329 28.044 6.789 154 HH22 ARG 18 HH22 ARG 18 -6.780 28.658 5.267 155 H PHE 19 H PHE 19 -9.313 20.996 9.485 156 HA PHE 19 HA PHE 19 -7.293 18.896 9.854 157 HB2 PHE 19 HB2 PHE 19 -10.237 19.003 10.514 158 HB3 PHE 19 HB3 PHE 19 -9.298 17.515 10.583 159 HD1 PHE 19 HD1 PHE 19 -8.263 20.935 11.581 160 HD2 PHE 19 HD2 PHE 19 -9.279 17.002 12.853 161 HE1 PHE 19 HE1 PHE 19 -7.554 21.496 13.869 162 HE2 PHE 19 HE2 PHE 19 -8.573 17.557 15.143 163 HZ PHE 19 HZ PHE 19 -7.710 19.806 15.654 164 H LEU 20 H LEU 20 -8.195 16.678 8.979 165 HA LEU 20 HA LEU 20 -9.399 17.033 6.334 166 HB2 LEU 20 HB2 LEU 20 -6.644 16.498 6.816 167 HB3 LEU 20 HB3 LEU 20 -7.373 15.065 6.095 168 HG LEU 20 HG LEU 20 -6.477 16.335 4.316 169 HD11 LEU 20 HD11 LEU 20 -9.053 17.415 3.736 170 HD12 LEU 20 HD12 LEU 20 -9.247 15.863 4.551 171 HD13 LEU 20 HD13 LEU 20 -8.279 15.971 3.081 172 HD21 LEU 20 HD21 LEU 20 -6.307 18.453 5.656 173 HD22 LEU 20 HD22 LEU 20 -8.004 18.748 5.274 174 HD23 LEU 20 HD23 LEU 20 -6.809 18.664 3.979 175 H ILE 21 H ILE 21 -11.199 15.857 6.553 176 HA ILE 21 HA ILE 21 -11.171 13.368 8.055 177 HB ILE 21 HB ILE 21 -13.673 13.459 7.076 178 HG12 ILE 21 HG12 ILE 21 -12.863 15.674 5.912 179 HG13 ILE 21 HG13 ILE 21 -14.469 15.584 6.627 180 HG21 ILE 21 HG21 ILE 21 -14.281 14.662 9.182 181 HG22 ILE 21 HG22 ILE 21 -13.188 13.297 9.405 182 HG23 ILE 21 HG23 ILE 21 -12.560 14.944 9.447 183 HD11 ILE 21 HD11 ILE 21 -12.978 17.645 7.076 184 HD12 ILE 21 HD12 ILE 21 -13.892 16.930 8.406 185 HD13 ILE 21 HD13 ILE 21 -12.169 16.593 8.237 186 H THR 22 H THR 22 -10.760 11.481 7.136 187 HA THR 22 HA THR 22 -10.187 11.037 4.481 188 HB THR 22 HB THR 22 -11.443 8.806 6.021 189 HG1 THR 22 HG1 THR 22 -9.124 8.755 6.969 190 HG21 THR 22 HG21 THR 22 -9.184 9.175 4.094 191 HG22 THR 22 HG22 THR 22 -10.524 8.029 4.045 192 HG23 THR 22 HG23 THR 22 -9.193 7.781 5.175 193 H HIS 23 H HIS 23 -11.369 9.546 2.965 194 HA HIS 23 HA HIS 23 -14.206 10.323 2.864 195 HB2 HIS 23 HB2 HIS 23 -12.268 10.740 0.980 196 HB3 HIS 23 HB3 HIS 23 -12.990 9.237 0.413 197 HD1 HIS 23 HD1 HIS 23 -14.579 9.810 -1.385 198 HD2 HIS 23 HD2 HIS 23 -14.761 12.527 1.753 199 HE1 HIS 23 HE1 HIS 23 -16.425 11.409 -1.986 200 H ASN 24 H ASN 24 -14.907 8.479 0.815 201 HA ASN 24 HA ASN 24 -15.941 6.370 2.176 202 HB2 ASN 24 HB2 ASN 24 -15.411 6.968 -0.622 203 HB3 ASN 24 HB3 ASN 24 -15.335 5.239 -0.296 204 HD21 ASN 24 HD21 ASN 24 -17.289 6.922 -1.768 205 HD22 ASN 24 HD22 ASN 24 -18.823 6.544 -1.067 206 HA PRO 25 HA PRO 25 -12.158 3.542 1.199 207 HB2 PRO 25 HB2 PRO 25 -9.974 4.701 0.076 208 HB3 PRO 25 HB3 PRO 25 -11.300 4.024 -0.878 209 HG2 PRO 25 HG2 PRO 25 -10.761 6.874 -0.138 210 HG3 PRO 25 HG3 PRO 25 -11.285 6.202 -1.693 211 HD2 PRO 25 HD2 PRO 25 -13.002 7.381 0.037 212 HD3 PRO 25 HD3 PRO 25 -13.485 6.044 -1.026 213 H THR 26 H THR 26 -11.196 3.076 3.064 214 HA THR 26 HA THR 26 -9.790 5.227 4.507 215 HB THR 26 HB THR 26 -10.145 3.644 6.524 216 HG1 THR 26 HG1 THR 26 -10.960 1.912 5.128 217 HG21 THR 26 HG21 THR 26 -11.275 5.841 6.144 218 HG22 THR 26 HG22 THR 26 -12.249 4.679 7.045 219 HG23 THR 26 HG23 THR 26 -12.581 4.973 5.338 220 H ASN 27 H ASN 27 -7.728 4.957 3.743 221 HA ASN 27 HA ASN 27 -5.680 4.013 3.402 222 HB2 ASN 27 HB2 ASN 27 -5.600 4.072 5.811 223 HB3 ASN 27 HB3 ASN 27 -6.536 2.585 5.925 224 HD21 ASN 27 HD21 ASN 27 -4.827 1.746 7.212 225 HD22 ASN 27 HD22 ASN 27 -3.390 1.137 6.471 226 H ALA 28 H ALA 28 -6.588 3.002 1.440 227 HA ALA 28 HA ALA 28 -7.239 0.186 1.573 228 HB1 ALA 28 HB1 ALA 28 -6.791 1.022 -1.105 229 HB2 ALA 28 HB2 ALA 28 -8.320 0.649 -0.306 230 HB3 ALA 28 HB3 ALA 28 -7.684 2.293 -0.269 231 H THR 29 H THR 29 -4.567 2.201 0.430 232 HA THR 29 HA THR 29 -2.910 -0.231 0.273 233 HB THR 29 HB THR 29 -3.078 0.327 -1.980 234 HG1 THR 29 HG1 THR 29 -1.028 1.183 -2.497 235 HG21 THR 29 HG21 THR 29 -3.027 3.196 -1.071 236 HG22 THR 29 HG22 THR 29 -4.299 2.345 -1.949 237 HG23 THR 29 HG23 THR 29 -2.782 2.739 -2.756 238 H LEU 30 H LEU 30 -3.382 2.791 1.661 239 HA LEU 30 HA LEU 30 -2.193 3.896 3.269 240 HB2 LEU 30 HB2 LEU 30 -1.268 1.478 3.626 241 HB3 LEU 30 HB3 LEU 30 0.178 2.128 2.855 242 HG LEU 30 HG LEU 30 0.234 3.885 4.642 243 HD11 LEU 30 HD11 LEU 30 -2.180 3.644 5.244 244 HD12 LEU 30 HD12 LEU 30 -1.073 3.629 6.617 245 HD13 LEU 30 HD13 LEU 30 -1.771 2.119 6.030 246 HD21 LEU 30 HD21 LEU 30 0.342 1.296 6.070 247 HD22 LEU 30 HD22 LEU 30 1.550 2.576 5.942 248 HD23 LEU 30 HD23 LEU 30 1.321 1.443 4.609 249 H SER 31 H SER 31 0.038 2.756 0.728 250 HA SER 31 HA SER 31 1.807 4.831 0.653 251 HB2 SER 31 HB2 SER 31 1.631 2.679 -0.822 252 HB3 SER 31 HB3 SER 31 0.766 3.733 -1.941 253 HG SER 31 HG SER 31 3.357 4.235 -0.893 254 H THR 32 H THR 32 -1.173 4.653 -1.299 255 HA THR 32 HA THR 32 -0.971 7.294 -2.289 256 HB THR 32 HB THR 32 -3.489 5.642 -2.023 257 HG1 THR 32 HG1 THR 32 -1.432 5.661 -3.985 258 HG21 THR 32 HG21 THR 32 -4.319 6.970 -3.859 259 HG22 THR 32 HG22 THR 32 -2.778 7.818 -3.991 260 HG23 THR 32 HG23 THR 32 -3.792 8.048 -2.568 261 H PHE 33 H PHE 33 -2.477 5.905 0.557 262 HA PHE 33 HA PHE 33 -4.106 8.052 1.303 263 HB2 PHE 33 HB2 PHE 33 -4.555 6.188 2.570 264 HB3 PHE 33 HB3 PHE 33 -2.856 5.755 2.729 265 HD1 PHE 33 HD1 PHE 33 -5.044 8.624 3.699 266 HD2 PHE 33 HD2 PHE 33 -2.034 5.847 4.859 267 HE1 PHE 33 HE1 PHE 33 -5.012 9.605 5.955 268 HE2 PHE 33 HE2 PHE 33 -1.997 6.823 7.117 269 HZ PHE 33 HZ PHE 33 -3.488 8.704 7.668 270 H ILE 34 H ILE 34 -0.775 7.290 2.303 271 HA ILE 34 HA ILE 34 -0.349 9.485 3.956 272 HB ILE 34 HB ILE 34 1.717 8.164 2.194 273 HG12 ILE 34 HG12 ILE 34 1.169 7.454 5.062 274 HG13 ILE 34 HG13 ILE 34 0.254 6.697 3.763 275 HG21 ILE 34 HG21 ILE 34 2.902 8.869 4.575 276 HG22 ILE 34 HG22 ILE 34 3.038 9.745 3.052 277 HG23 ILE 34 HG23 ILE 34 1.829 10.228 4.241 278 HD11 ILE 34 HD11 ILE 34 2.393 5.563 4.711 279 HD12 ILE 34 HD12 ILE 34 2.072 5.544 2.977 280 HD13 ILE 34 HD13 ILE 34 3.229 6.694 3.647 281 H GLU 35 H GLU 35 0.039 9.174 0.456 282 HA GLU 35 HA GLU 35 1.223 11.700 0.023 283 HB2 GLU 35 HB2 GLU 35 -0.535 10.283 -1.969 284 HB3 GLU 35 HB3 GLU 35 0.839 11.334 -2.282 285 HG2 GLU 35 HG2 GLU 35 1.841 9.232 -0.738 286 HG3 GLU 35 HG3 GLU 35 0.760 8.490 -1.916 287 H ASP 36 H ASP 36 -2.113 10.633 0.252 288 HA ASP 36 HA ASP 36 -3.373 12.920 -0.764 289 HB2 ASP 36 HB2 ASP 36 -4.212 10.505 0.257 290 HB3 ASP 36 HB3 ASP 36 -4.780 11.649 1.470 291 H LEU 37 H LEU 37 -2.645 12.057 2.616 292 HA LEU 37 HA LEU 37 -3.487 14.585 3.635 293 HB2 LEU 37 HB2 LEU 37 -2.510 13.822 5.744 294 HB3 LEU 37 HB3 LEU 37 -3.562 12.607 5.021 295 HG LEU 37 HG LEU 37 -1.322 11.631 4.096 296 HD11 LEU 37 HD11 LEU 37 -0.418 13.737 5.869 297 HD12 LEU 37 HD12 LEU 37 0.486 12.777 4.700 298 HD13 LEU 37 HD13 LEU 37 0.219 12.158 6.330 299 HD21 LEU 37 HD21 LEU 37 -2.980 11.032 6.201 300 HD22 LEU 37 HD22 LEU 37 -1.391 11.101 6.962 301 HD23 LEU 37 HD23 LEU 37 -1.670 10.016 5.599 302 H LYS 38 H LYS 38 -0.579 13.396 2.247 303 HA LYS 38 HA LYS 38 1.140 15.388 3.431 304 HB2 LYS 38 HB2 LYS 38 1.460 13.162 1.480 305 HB3 LYS 38 HB3 LYS 38 2.633 14.471 1.418 306 HG2 LYS 38 HG2 LYS 38 2.777 14.051 4.000 307 HG3 LYS 38 HG3 LYS 38 2.138 12.465 3.560 308 HD2 LYS 38 HD2 LYS 38 4.597 13.727 2.350 309 HD3 LYS 38 HD3 LYS 38 4.615 12.535 3.652 310 HE2 LYS 38 HE2 LYS 38 4.691 10.978 2.059 311 HE3 LYS 38 HE3 LYS 38 3.009 11.381 1.716 312 HZ1 LYS 38 HZ1 LYS 38 3.626 12.771 -0.034 313 HZ2 LYS 38 HZ2 LYS 38 4.634 11.425 -0.213 314 HZ3 LYS 38 HZ3 LYS 38 5.243 12.853 0.458 315 H LYS 39 H LYS 39 -0.596 14.927 0.410 316 HA LYS 39 HA LYS 39 0.585 17.186 -0.900 317 HB2 LYS 39 HB2 LYS 39 -1.029 16.787 -2.653 318 HB3 LYS 39 HB3 LYS 39 -0.362 15.246 -2.127 319 HG2 LYS 39 HG2 LYS 39 -2.346 14.746 -0.877 320 HG3 LYS 39 HG3 LYS 39 -3.002 16.354 -1.195 321 HD2 LYS 39 HD2 LYS 39 -2.298 14.466 -3.423 322 HD3 LYS 39 HD3 LYS 39 -3.869 14.408 -2.620 323 HE2 LYS 39 HE2 LYS 39 -2.967 17.075 -3.496 324 HE3 LYS 39 HE3 LYS 39 -3.332 15.929 -4.784 325 HZ1 LYS 39 HZ1 LYS 39 -5.412 16.671 -4.482 326 HZ2 LYS 39 HZ2 LYS 39 -5.115 17.238 -2.916 327 HZ3 LYS 39 HZ3 LYS 39 -5.438 15.598 -3.174 328 H TYR 40 H TYR 40 -2.343 16.594 0.959 329 HA TYR 40 HA TYR 40 -3.581 19.087 0.404 330 HB2 TYR 40 HB2 TYR 40 -4.023 16.838 2.276 331 HB3 TYR 40 HB3 TYR 40 -4.667 18.396 2.782 332 HD1 TYR 40 HD2 TYR 40 -4.641 16.074 -0.137 333 HD2 TYR 40 HD1 TYR 40 -6.756 19.068 2.023 334 HE1 TYR 40 HE2 TYR 40 -6.598 15.728 -1.586 335 HE2 TYR 40 HE1 TYR 40 -8.719 18.729 0.581 336 HH TYR 40 HH TYR 40 -9.187 17.865 -1.719 337 H GLY 41 H GLY 41 -0.863 18.305 2.211 338 HA2 GLY 41 HA2 GLY 41 0.544 19.796 3.322 339 HA3 GLY 41 HA3 GLY 41 -0.745 20.991 3.298 340 H ALA 42 H ALA 42 -1.202 17.734 4.490 341 HA ALA 42 HA ALA 42 -1.694 18.853 7.160 342 HB1 ALA 42 HB1 ALA 42 -2.966 16.782 7.577 343 HB2 ALA 42 HB2 ALA 42 -3.584 17.693 6.198 344 HB3 ALA 42 HB3 ALA 42 -2.603 16.252 5.935 345 H THR 43 H THR 43 -0.203 18.560 8.668 346 HA THR 43 HA THR 43 1.869 16.546 8.288 347 HB THR 43 HB THR 43 3.002 17.633 10.189 348 HG1 THR 43 HG1 THR 43 1.285 18.403 11.394 349 HG21 THR 43 HG21 THR 43 3.174 18.466 7.788 350 HG22 THR 43 HG22 THR 43 3.652 19.599 9.053 351 HG23 THR 43 HG23 THR 43 2.079 19.761 8.272 352 H THR 44 H THR 44 -0.842 15.731 9.003 353 HA THR 44 HA THR 44 -0.163 14.206 11.406 354 HB THR 44 HB THR 44 -2.919 14.720 11.641 355 HG1 THR 44 HG1 THR 44 -1.544 17.194 11.578 356 HG21 THR 44 HG21 THR 44 -1.077 14.347 13.384 357 HG22 THR 44 HG22 THR 44 -2.358 15.491 13.788 358 HG23 THR 44 HG23 THR 44 -0.783 16.081 13.259 359 H VAL 45 H VAL 45 -0.969 12.146 11.442 360 HA VAL 45 HA VAL 45 -2.112 11.181 8.947 361 HB VAL 45 HB VAL 45 -1.456 9.437 11.301 362 HG11 VAL 45 HG11 VAL 45 -0.758 7.945 9.319 363 HG12 VAL 45 HG12 VAL 45 -2.480 8.199 9.614 364 HG13 VAL 45 HG13 VAL 45 -1.662 9.092 8.331 365 HG21 VAL 45 HG21 VAL 45 0.500 10.545 9.289 366 HG22 VAL 45 HG22 VAL 45 0.490 10.848 11.026 367 HG23 VAL 45 HG23 VAL 45 0.841 9.231 10.416 368 H VAL 46 H VAL 46 -4.074 10.158 8.739 369 HA VAL 46 HA VAL 46 -6.097 10.891 10.636 370 HB VAL 46 HB VAL 46 -7.679 10.107 9.099 371 HG11 VAL 46 HG11 VAL 46 -6.724 10.814 6.821 372 HG12 VAL 46 HG12 VAL 46 -6.729 12.003 8.125 373 HG13 VAL 46 HG13 VAL 46 -5.238 11.156 7.708 374 HG21 VAL 46 HG21 VAL 46 -5.611 8.131 8.466 375 HG22 VAL 46 HG22 VAL 46 -7.369 7.982 8.443 376 HG23 VAL 46 HG23 VAL 46 -6.526 8.699 7.069 377 H ARG 47 H ARG 47 -4.254 9.266 11.907 378 HA ARG 47 HA ARG 47 -5.055 6.535 11.964 379 HB2 ARG 47 HB2 ARG 47 -3.718 7.809 14.310 380 HB3 ARG 47 HB3 ARG 47 -3.429 6.238 13.573 381 HG2 ARG 47 HG2 ARG 47 -2.670 7.880 11.564 382 HG3 ARG 47 HG3 ARG 47 -2.248 8.856 12.973 383 HD2 ARG 47 HD2 ARG 47 -0.445 7.610 13.331 384 HD3 ARG 47 HD3 ARG 47 -1.442 6.160 13.439 385 HE ARG 47 HE ARG 47 0.251 6.869 11.299 386 HH11 ARG 47 HH11 ARG 47 -2.889 5.507 11.937 387 HH12 ARG 47 HH12 ARG 47 -2.927 4.577 10.476 388 HH21 ARG 47 HH21 ARG 47 0.213 5.650 9.372 389 HH22 ARG 47 HH22 ARG 47 -1.162 4.659 9.018 390 H VAL 48 H VAL 48 -6.724 9.180 12.872 391 HA VAL 48 HA VAL 48 -7.719 8.509 15.431 392 HB VAL 48 HB VAL 48 -9.197 10.070 13.314 393 HG11 VAL 48 HG11 VAL 48 -9.642 11.223 15.772 394 HG12 VAL 48 HG12 VAL 48 -10.740 10.128 14.929 395 HG13 VAL 48 HG13 VAL 48 -9.620 9.498 16.137 396 HG21 VAL 48 HG21 VAL 48 -8.053 11.986 14.790 397 HG22 VAL 48 HG22 VAL 48 -6.798 10.752 14.906 398 HG23 VAL 48 HG23 VAL 48 -7.317 11.338 13.325 399 H CYS 49 H CYS 49 -8.088 6.213 15.186 400 HA CYS 49 HA CYS 49 -10.774 5.538 14.877 401 HB2 CYS 49 HB2 CYS 49 -10.856 4.322 12.820 402 HB3 CYS 49 HB3 CYS 49 -10.216 5.919 12.452 403 HG CYS 49 HG CYS 49 -8.975 3.079 11.618 404 H GLU 50 H GLU 50 -10.603 2.870 14.090 405 HA GLU 50 HA GLU 50 -9.371 1.734 16.427 406 HB2 GLU 50 HB2 GLU 50 -11.578 0.993 15.444 407 HB3 GLU 50 HB3 GLU 50 -10.665 0.259 14.133 408 HG2 GLU 50 HG2 GLU 50 -9.414 -1.019 15.951 409 HG3 GLU 50 HG3 GLU 50 -10.703 -0.493 17.033 410 H VAL 51 H VAL 51 -7.292 2.768 15.226 411 HA VAL 51 HA VAL 51 -6.036 1.144 13.261 412 HB VAL 51 HB VAL 51 -3.938 2.373 13.993 413 HG11 VAL 51 HG11 VAL 51 -4.471 4.170 12.675 414 HG12 VAL 51 HG12 VAL 51 -5.784 3.070 12.252 415 HG13 VAL 51 HG13 VAL 51 -6.062 4.375 13.406 416 HG21 VAL 51 HG21 VAL 51 -5.857 4.017 15.628 417 HG22 VAL 51 HG22 VAL 51 -4.814 2.777 16.323 418 HG23 VAL 51 HG23 VAL 51 -4.104 4.180 15.523 419 H THR 52 H THR 52 -4.461 -0.416 13.457 420 HA THR 52 HA THR 52 -3.616 -1.254 16.120 421 HB THR 52 HB THR 52 -4.311 -3.511 15.919 422 HG1 THR 52 HG1 THR 52 -3.975 -3.916 13.746 423 HG21 THR 52 HG21 THR 52 -6.556 -1.713 14.996 424 HG22 THR 52 HG22 THR 52 -6.099 -2.057 16.664 425 HG23 THR 52 HG23 THR 52 -6.769 -3.336 15.652 426 H TYR 53 H TYR 53 -2.124 -0.016 14.109 427 HA TYR 53 HA TYR 53 -0.109 -2.061 13.656 428 HB2 TYR 53 HB2 TYR 53 0.150 -1.535 11.284 429 HB3 TYR 53 HB3 TYR 53 -1.474 -2.131 11.609 430 HD1 TYR 53 HD1 TYR 53 0.514 0.894 10.872 431 HD2 TYR 53 HD2 TYR 53 -3.387 -0.772 11.206 432 HE1 TYR 53 HE1 TYR 53 -0.427 2.899 9.804 433 HE2 TYR 53 HE2 TYR 53 -4.339 1.229 10.138 434 HH TYR 53 HH TYR 53 -3.908 3.172 9.154 435 H ASP 54 H ASP 54 1.939 -1.277 13.733 436 HA ASP 54 HA ASP 54 2.390 1.274 14.831 437 HB2 ASP 54 HB2 ASP 54 4.158 -0.880 13.731 438 HB3 ASP 54 HB3 ASP 54 4.848 0.693 14.122 439 H LYS 55 H LYS 55 3.608 3.044 13.942 440 HA LYS 55 HA LYS 55 2.916 3.526 11.147 441 HB2 LYS 55 HB2 LYS 55 3.793 5.888 11.797 442 HB3 LYS 55 HB3 LYS 55 2.235 5.349 12.411 443 HG2 LYS 55 HG2 LYS 55 4.553 4.729 14.114 444 HG3 LYS 55 HG3 LYS 55 4.164 6.441 13.936 445 HD2 LYS 55 HD2 LYS 55 2.378 6.253 15.259 446 HD3 LYS 55 HD3 LYS 55 1.786 4.848 14.369 447 HE2 LYS 55 HE2 LYS 55 2.612 3.403 15.875 448 HE3 LYS 55 HE3 LYS 55 4.117 4.303 16.054 449 HZ1 LYS 55 HZ1 LYS 55 1.756 5.553 17.188 450 HZ2 LYS 55 HZ2 LYS 55 3.327 5.446 17.804 451 HZ3 LYS 55 HZ3 LYS 55 2.269 4.135 17.957 452 H THR 56 H THR 56 4.393 2.797 9.750 453 HA THR 56 HA THR 56 7.237 3.038 10.400 454 HB THR 56 HB THR 56 7.479 1.105 9.324 455 HG1 THR 56 HG1 THR 56 6.731 1.033 7.019 456 HG21 THR 56 HG21 THR 56 5.535 -0.171 8.603 457 HG22 THR 56 HG22 THR 56 4.551 1.293 8.606 458 HG23 THR 56 HG23 THR 56 5.190 0.657 10.121 459 HA PRO 57 HA PRO 57 6.973 5.247 6.110 460 HB2 PRO 57 HB2 PRO 57 4.496 5.727 5.106 461 HB3 PRO 57 HB3 PRO 57 5.396 4.243 4.773 462 HG2 PRO 57 HG2 PRO 57 3.212 4.727 6.761 463 HG3 PRO 57 HG3 PRO 57 3.453 3.344 5.679 464 HD2 PRO 57 HD2 PRO 57 4.124 3.276 8.301 465 HD3 PRO 57 HD3 PRO 57 5.020 2.374 7.062 466 H LEU 58 H LEU 58 3.757 6.219 7.261 467 HA LEU 58 HA LEU 58 4.115 8.935 7.124 468 HB2 LEU 58 HB2 LEU 58 2.243 9.170 8.585 469 HB3 LEU 58 HB3 LEU 58 1.975 7.763 7.559 470 HG LEU 58 HG LEU 58 1.203 7.229 9.747 471 HD11 LEU 58 HD11 LEU 58 3.904 5.930 9.597 472 HD12 LEU 58 HD12 LEU 58 2.620 5.554 8.449 473 HD13 LEU 58 HD13 LEU 58 2.381 5.250 10.170 474 HD21 LEU 58 HD21 LEU 58 2.203 7.782 11.701 475 HD22 LEU 58 HD22 LEU 58 2.926 9.040 10.698 476 HD23 LEU 58 HD23 LEU 58 3.832 7.570 11.058 477 H GLU 59 H GLU 59 5.513 6.755 9.358 478 HA GLU 59 HA GLU 59 5.964 8.595 11.491 479 HB2 GLU 59 HB2 GLU 59 6.026 6.324 12.103 480 HB3 GLU 59 HB3 GLU 59 7.100 5.906 10.775 481 HG2 GLU 59 HG2 GLU 59 8.283 5.835 12.879 482 HG3 GLU 59 HG3 GLU 59 8.918 7.125 11.859 483 H LYS 60 H LYS 60 8.183 7.167 9.089 484 HA LYS 60 HA LYS 60 10.354 8.854 9.710 485 HB2 LYS 60 HB2 LYS 60 9.802 7.458 7.087 486 HB3 LYS 60 HB3 LYS 60 11.363 8.030 7.661 487 HG2 LYS 60 HG2 LYS 60 9.722 5.756 8.740 488 HG3 LYS 60 HG3 LYS 60 11.316 5.687 7.985 489 HD2 LYS 60 HD2 LYS 60 12.250 6.954 9.868 490 HD3 LYS 60 HD3 LYS 60 10.656 6.997 10.624 491 HE2 LYS 60 HE2 LYS 60 11.336 5.137 11.678 492 HE3 LYS 60 HE3 LYS 60 10.969 4.333 10.153 493 HZ1 LYS 60 HZ1 LYS 60 13.083 3.696 10.162 494 HZ2 LYS 60 HZ2 LYS 60 13.495 4.751 11.418 495 HZ3 LYS 60 HZ3 LYS 60 13.500 5.299 9.818 496 H ASP 61 H ASP 61 7.508 9.356 7.859 497 HA ASP 61 HA ASP 61 8.508 11.438 6.178 498 HB2 ASP 61 HB2 ASP 61 5.955 10.115 6.661 499 HB3 ASP 61 HB3 ASP 61 5.773 11.847 6.396 500 H GLY 62 H GLY 62 7.971 11.303 9.455 501 HA2 GLY 62 HA2 GLY 62 8.109 12.955 11.059 502 HA3 GLY 62 HA3 GLY 62 8.331 14.123 9.765 503 H ILE 63 H ILE 63 5.571 12.004 9.806 504 HA ILE 63 HA ILE 63 3.845 14.340 10.164 505 HB ILE 63 HB ILE 63 3.235 11.565 9.143 506 HG12 ILE 63 HG12 ILE 63 2.862 14.071 7.564 507 HG13 ILE 63 HG13 ILE 63 4.499 13.462 7.781 508 HG21 ILE 63 HG21 ILE 63 0.992 12.351 8.682 509 HG22 ILE 63 HG22 ILE 63 1.343 12.512 10.402 510 HG23 ILE 63 HG23 ILE 63 1.380 13.933 9.358 511 HD11 ILE 63 HD11 ILE 63 3.943 12.425 5.839 512 HD12 ILE 63 HD12 ILE 63 3.384 11.209 6.989 513 HD13 ILE 63 HD13 ILE 63 2.231 12.321 6.252 514 H THR 64 H THR 64 2.596 14.630 11.904 515 HA THR 64 HA THR 64 2.974 13.151 14.254 516 HB THR 64 HB THR 64 0.876 15.155 13.450 517 HG1 THR 64 HG1 THR 64 3.259 15.139 14.933 518 HG21 THR 64 HG21 THR 64 0.174 15.179 15.833 519 HG22 THR 64 HG22 THR 64 1.151 13.736 16.102 520 HG23 THR 64 HG23 THR 64 -0.230 13.675 15.007 521 H VAL 65 H VAL 65 2.120 11.312 14.969 522 HA VAL 65 HA VAL 65 0.115 9.955 13.382 523 HB VAL 65 HB VAL 65 1.572 8.345 14.039 524 HG11 VAL 65 HG11 VAL 65 2.034 10.025 16.483 525 HG12 VAL 65 HG12 VAL 65 2.668 8.383 16.350 526 HG13 VAL 65 HG13 VAL 65 3.164 9.619 15.192 527 HG21 VAL 65 HG21 VAL 65 0.557 6.940 15.553 528 HG22 VAL 65 HG22 VAL 65 0.145 8.250 16.659 529 HG23 VAL 65 HG23 VAL 65 -0.769 8.036 15.166 530 H VAL 66 H VAL 66 -1.934 10.571 13.674 531 HA VAL 66 HA VAL 66 -2.874 11.165 16.392 532 HB VAL 66 HB VAL 66 -4.370 11.652 13.819 533 HG11 VAL 66 HG11 VAL 66 -4.707 13.149 16.387 534 HG12 VAL 66 HG12 VAL 66 -5.855 12.918 15.067 535 HG13 VAL 66 HG13 VAL 66 -5.487 11.584 16.160 536 HG21 VAL 66 HG21 VAL 66 -3.629 14.033 14.114 537 HG22 VAL 66 HG22 VAL 66 -2.458 13.451 15.297 538 HG23 VAL 66 HG23 VAL 66 -2.360 12.912 13.620 539 H ASP 67 H ASP 67 -3.060 9.004 17.098 540 HA ASP 67 HA ASP 67 -5.154 7.423 15.762 541 HB2 ASP 67 HB2 ASP 67 -4.125 5.570 17.303 542 HB3 ASP 67 HB3 ASP 67 -3.309 6.023 15.809 543 H TRP 68 H TRP 68 -7.064 7.340 16.723 544 HA TRP 68 HA TRP 68 -7.232 7.304 19.633 545 HB2 TRP 68 HB2 TRP 68 -8.841 9.268 17.990 546 HB3 TRP 68 HB3 TRP 68 -8.872 9.082 19.742 547 HD1 TRP 68 HD1 TRP 68 -7.513 11.322 17.278 548 HE1 TRP 68 HE1 TRP 68 -5.468 12.608 18.165 549 HE3 TRP 68 HE3 TRP 68 -6.466 8.454 21.379 550 HZ2 TRP 68 HZ2 TRP 68 -3.651 12.431 20.318 551 HZ3 TRP 68 HZ3 TRP 68 -4.557 9.081 22.800 552 HH2 TRP 68 HH2 TRP 68 -3.180 11.028 22.278 553 HA PRO 69 HA PRO 69 -10.425 4.378 18.912 554 HB2 PRO 69 HB2 PRO 69 -11.957 4.732 21.125 555 HB3 PRO 69 HB3 PRO 69 -10.372 3.950 21.168 556 HG2 PRO 69 HG2 PRO 69 -11.113 6.768 21.853 557 HG3 PRO 69 HG3 PRO 69 -10.023 5.659 22.706 558 HD2 PRO 69 HD2 PRO 69 -9.121 7.614 21.063 559 HD3 PRO 69 HD3 PRO 69 -8.276 6.064 21.259 560 H PHE 70 H PHE 70 -10.847 7.515 18.352 561 HA PHE 70 HA PHE 70 -13.447 8.258 18.577 562 HB2 PHE 70 HB2 PHE 70 -11.496 8.655 16.322 563 HB3 PHE 70 HB3 PHE 70 -13.118 9.335 16.248 564 HD1 PHE 70 HD2 PHE 70 -11.292 9.031 19.405 565 HD2 PHE 70 HD1 PHE 70 -12.346 11.610 16.188 566 HE1 PHE 70 HE2 PHE 70 -10.534 10.970 20.716 567 HE2 PHE 70 HE1 PHE 70 -11.590 13.554 17.493 568 HZ PHE 70 HZ PHE 70 -10.684 13.235 19.761 569 H ASP 71 H ASP 71 -12.132 5.876 16.366 570 HA ASP 71 HA ASP 71 -14.792 5.437 15.210 571 HB2 ASP 71 HB2 ASP 71 -12.770 5.714 13.718 572 HB3 ASP 71 HB3 ASP 71 -12.185 4.176 14.348 573 H ASP 72 H ASP 72 -15.280 4.575 17.471 574 HA ASP 72 HA ASP 72 -15.622 1.813 17.360 575 HB2 ASP 72 HB2 ASP 72 -13.032 2.599 18.339 576 HB3 ASP 72 HB3 ASP 72 -13.941 1.810 19.625 577 H GLY 73 H GLY 73 -14.615 3.733 20.180 578 HA2 GLY 73 HA2 GLY 73 -17.353 4.170 20.997 579 HA3 GLY 73 HA3 GLY 73 -16.497 2.983 21.971 580 H ALA 74 H ALA 74 -14.068 3.935 22.369 581 HA ALA 74 HA ALA 74 -12.813 5.422 23.552 582 HB1 ALA 74 HB1 ALA 74 -14.021 6.934 21.611 583 HB2 ALA 74 HB2 ALA 74 -14.450 7.793 23.090 584 HB3 ALA 74 HB3 ALA 74 -12.756 7.491 22.707 585 HA PRO 75 HA PRO 75 -14.650 5.908 27.506 586 HB2 PRO 75 HB2 PRO 75 -13.312 8.033 28.537 587 HB3 PRO 75 HB3 PRO 75 -12.567 6.446 28.313 588 HG2 PRO 75 HG2 PRO 75 -12.384 8.884 26.586 589 HG3 PRO 75 HG3 PRO 75 -11.103 7.759 27.072 590 HD2 PRO 75 HD2 PRO 75 -12.293 7.650 24.642 591 HD3 PRO 75 HD3 PRO 75 -11.690 6.203 25.476 592 HA PRO 76 HA PRO 76 -17.935 8.851 26.951 593 HB2 PRO 76 HB2 PRO 76 -19.210 8.352 29.295 594 HB3 PRO 76 HB3 PRO 76 -19.298 7.266 27.903 595 HG2 PRO 76 HG2 PRO 76 -17.585 7.073 30.351 596 HG3 PRO 76 HG3 PRO 76 -18.488 5.797 29.513 597 HD2 PRO 76 HD2 PRO 76 -15.822 6.147 29.192 598 HD3 PRO 76 HD3 PRO 76 -16.869 5.542 27.892 599 HA PRO 77 HA PRO 77 -16.606 11.166 31.050 600 HB2 PRO 77 HB2 PRO 77 -14.033 10.675 31.764 601 HB3 PRO 77 HB3 PRO 77 -15.400 9.750 32.399 602 HG2 PRO 77 HG2 PRO 77 -13.502 9.052 30.191 603 HG3 PRO 77 HG3 PRO 77 -14.129 8.026 31.495 604 HD2 PRO 77 HD2 PRO 77 -15.126 7.954 28.979 605 HD3 PRO 77 HD3 PRO 77 -16.129 7.654 30.412 606 H GLY 78 H GLY 78 -14.621 12.771 31.441 607 HA2 GLY 78 HA2 GLY 78 -14.227 14.079 28.883 608 HA3 GLY 78 HA3 GLY 78 -13.814 14.727 30.464 609 H LYS 79 H LYS 79 -12.827 11.699 28.892 610 HA LYS 79 HA LYS 79 -10.052 12.326 29.514 611 HB2 LYS 79 HB2 LYS 79 -10.854 10.093 30.057 612 HB3 LYS 79 HB3 LYS 79 -11.338 9.832 28.387 613 HG2 LYS 79 HG2 LYS 79 -9.252 8.687 28.910 614 HG3 LYS 79 HG3 LYS 79 -9.016 9.928 27.678 615 HD2 LYS 79 HD2 LYS 79 -8.176 11.461 29.409 616 HD3 LYS 79 HD3 LYS 79 -8.378 10.189 30.617 617 HE2 LYS 79 HE2 LYS 79 -6.875 8.810 28.981 618 HE3 LYS 79 HE3 LYS 79 -6.400 10.401 28.388 619 HZ1 LYS 79 HZ1 LYS 79 -5.302 9.115 30.506 620 HZ2 LYS 79 HZ2 LYS 79 -6.361 10.203 31.251 621 HZ3 LYS 79 HZ3 LYS 79 -5.171 10.772 30.192 622 H VAL 80 H VAL 80 -11.908 11.273 26.656 623 HA VAL 80 HA VAL 80 -9.947 11.470 24.738 624 HB VAL 80 HB VAL 80 -12.879 12.143 24.480 625 HG11 VAL 80 HG11 VAL 80 -10.697 12.352 22.562 626 HG12 VAL 80 HG12 VAL 80 -12.014 11.318 22.004 627 HG13 VAL 80 HG13 VAL 80 -12.341 12.985 22.482 628 HG21 VAL 80 HG21 VAL 80 -11.621 9.726 24.970 629 HG22 VAL 80 HG22 VAL 80 -13.260 9.949 24.359 630 HG23 VAL 80 HG23 VAL 80 -11.925 9.706 23.233 631 H VAL 81 H VAL 81 -11.789 14.042 26.250 632 HA VAL 81 HA VAL 81 -11.366 16.159 24.548 633 HB VAL 81 HB VAL 81 -11.656 17.633 26.391 634 HG11 VAL 81 HG11 VAL 81 -13.750 16.981 26.795 635 HG12 VAL 81 HG12 VAL 81 -13.360 15.512 25.898 636 HG13 VAL 81 HG13 VAL 81 -13.215 15.538 27.656 637 HG21 VAL 81 HG21 VAL 81 -11.542 16.685 28.760 638 HG22 VAL 81 HG22 VAL 81 -10.645 15.342 28.052 639 HG23 VAL 81 HG23 VAL 81 -10.012 16.984 27.936 640 H GLU 82 H GLU 82 -9.147 14.844 26.974 641 HA GLU 82 HA GLU 82 -7.147 16.760 26.858 642 HB2 GLU 82 HB2 GLU 82 -7.009 13.785 27.328 643 HB3 GLU 82 HB3 GLU 82 -5.601 14.829 27.462 644 HG2 GLU 82 HG2 GLU 82 -7.331 16.159 29.038 645 HG3 GLU 82 HG3 GLU 82 -7.898 14.506 29.266 646 H ASP 83 H ASP 83 -7.513 13.827 24.881 647 HA ASP 83 HA ASP 83 -5.210 14.293 23.296 648 HB2 ASP 83 HB2 ASP 83 -7.670 12.634 22.701 649 HB3 ASP 83 HB3 ASP 83 -6.161 12.572 21.796 650 H TRP 84 H TRP 84 -8.565 15.265 23.034 651 HA TRP 84 HA TRP 84 -8.658 16.058 20.372 652 HB2 TRP 84 HB2 TRP 84 -10.371 16.189 22.532 653 HB3 TRP 84 HB3 TRP 84 -10.059 17.887 22.178 654 HD1 TRP 84 HD1 TRP 84 -12.598 15.562 21.452 655 HE1 TRP 84 HE1 TRP 84 -13.726 15.962 19.173 656 HE3 TRP 84 HE3 TRP 84 -9.068 18.582 19.320 657 HZ2 TRP 84 HZ2 TRP 84 -13.189 17.371 16.787 658 HZ3 TRP 84 HZ3 TRP 84 -9.450 19.413 17.036 659 HH2 TRP 84 HH2 TRP 84 -11.469 18.818 15.797 660 H LEU 85 H LEU 85 -8.241 18.300 23.117 661 HA LEU 85 HA LEU 85 -7.352 20.452 21.560 662 HB2 LEU 85 HB2 LEU 85 -6.769 19.872 24.461 663 HB3 LEU 85 HB3 LEU 85 -6.588 21.434 23.665 664 HG LEU 85 HG LEU 85 -8.609 21.848 24.544 665 HD11 LEU 85 HD11 LEU 85 -9.718 19.952 22.500 666 HD12 LEU 85 HD12 LEU 85 -8.946 21.471 22.046 667 HD13 LEU 85 HD13 LEU 85 -10.386 21.485 23.064 668 HD21 LEU 85 HD21 LEU 85 -9.727 20.379 25.819 669 HD22 LEU 85 HD22 LEU 85 -8.343 19.327 25.524 670 HD23 LEU 85 HD23 LEU 85 -9.799 19.168 24.539 671 H SER 86 H SER 86 -5.540 17.988 23.355 672 HA SER 86 HA SER 86 -2.972 18.937 23.053 673 HB2 SER 86 HB2 SER 86 -3.599 16.918 24.361 674 HB3 SER 86 HB3 SER 86 -3.816 16.036 22.849 675 HG SER 86 HG SER 86 -1.404 17.242 23.740 676 H LEU 87 H LEU 87 -4.660 16.705 20.842 677 HA LEU 87 HA LEU 87 -2.681 16.561 18.891 678 HB2 LEU 87 HB2 LEU 87 -4.316 14.997 18.580 679 HB3 LEU 87 HB3 LEU 87 -5.618 16.127 18.948 680 HG LEU 87 HG LEU 87 -5.237 17.167 16.704 681 HD11 LEU 87 HD11 LEU 87 -2.989 16.513 16.249 682 HD12 LEU 87 HD12 LEU 87 -4.025 15.745 15.047 683 HD13 LEU 87 HD13 LEU 87 -3.395 14.804 16.399 684 HD21 LEU 87 HD21 LEU 87 -6.288 14.472 17.244 685 HD22 LEU 87 HD22 LEU 87 -5.999 14.847 15.544 686 HD23 LEU 87 HD23 LEU 87 -7.067 15.872 16.505 687 H VAL 88 H VAL 88 -5.672 18.494 18.648 688 HA VAL 88 HA VAL 88 -4.980 19.994 16.438 689 HB VAL 88 HB VAL 88 -7.227 19.963 17.539 690 HG11 VAL 88 HG11 VAL 88 -7.653 21.596 19.330 691 HG12 VAL 88 HG12 VAL 88 -6.536 20.326 19.836 692 HG13 VAL 88 HG13 VAL 88 -5.923 21.928 19.421 693 HG21 VAL 88 HG21 VAL 88 -6.046 22.675 16.945 694 HG22 VAL 88 HG22 VAL 88 -6.730 21.552 15.769 695 HG23 VAL 88 HG23 VAL 88 -7.769 22.298 16.984 696 H LYS 89 H LYS 89 -3.822 20.251 19.682 697 HA LYS 89 HA LYS 89 -2.727 22.913 19.289 698 HB2 LYS 89 HB2 LYS 89 -2.801 20.980 21.585 699 HB3 LYS 89 HB3 LYS 89 -1.698 22.350 21.612 700 HG2 LYS 89 HG2 LYS 89 -3.574 23.884 21.388 701 HG3 LYS 89 HG3 LYS 89 -4.691 22.519 21.316 702 HD2 LYS 89 HD2 LYS 89 -4.650 23.492 23.551 703 HD3 LYS 89 HD3 LYS 89 -4.010 21.847 23.571 704 HE2 LYS 89 HE2 LYS 89 -2.700 23.478 24.930 705 HE3 LYS 89 HE3 LYS 89 -1.762 22.652 23.687 706 HZ1 LYS 89 HZ1 LYS 89 -2.950 25.336 23.285 707 HZ2 LYS 89 HZ2 LYS 89 -1.785 24.565 22.332 708 HZ3 LYS 89 HZ3 LYS 89 -1.384 25.107 23.884 709 H ALA 90 H ALA 90 -1.757 19.632 18.953 710 HA ALA 90 HA ALA 90 1.084 20.247 19.025 711 HB1 ALA 90 HB1 ALA 90 0.290 18.137 19.976 712 HB2 ALA 90 HB2 ALA 90 -0.320 17.654 18.393 713 HB3 ALA 90 HB3 ALA 90 1.413 17.865 18.643 714 H LYS 91 H LYS 91 -1.061 18.669 16.645 715 HA LYS 91 HA LYS 91 0.573 18.682 14.461 716 HB2 LYS 91 HB2 LYS 91 -1.618 19.048 13.127 717 HB3 LYS 91 HB3 LYS 91 -1.475 17.621 14.145 718 HG2 LYS 91 HG2 LYS 91 -3.398 18.204 15.074 719 HG3 LYS 91 HG3 LYS 91 -2.551 19.565 15.814 720 HD2 LYS 91 HD2 LYS 91 -3.403 19.944 13.015 721 HD3 LYS 91 HD3 LYS 91 -4.701 19.826 14.205 722 HE2 LYS 91 HE2 LYS 91 -2.947 21.509 15.446 723 HE3 LYS 91 HE3 LYS 91 -2.737 21.955 13.753 724 HZ1 LYS 91 HZ1 LYS 91 -5.483 21.673 14.320 725 HZ2 LYS 91 HZ2 LYS 91 -4.643 23.051 13.813 726 HZ3 LYS 91 HZ3 LYS 91 -4.790 22.710 15.463 727 H PHE 92 H PHE 92 -1.117 21.399 15.866 728 HA PHE 92 HA PHE 92 -0.435 23.152 13.653 729 HB2 PHE 92 HB2 PHE 92 -2.460 23.866 14.433 730 HB3 PHE 92 HB3 PHE 92 -2.131 23.340 16.081 731 HD1 PHE 92 HD1 PHE 92 -1.163 25.936 13.600 732 HD2 PHE 92 HD2 PHE 92 -1.606 24.900 17.705 733 HE1 PHE 92 HE1 PHE 92 -0.668 28.261 14.237 734 HE2 PHE 92 HE2 PHE 92 -1.113 27.223 18.348 735 HZ PHE 92 HZ PHE 92 -0.644 28.907 16.613 736 H CYS 93 H CYS 93 0.642 22.425 16.896 737 HA CYS 93 HA CYS 93 2.423 24.695 17.027 738 HB2 CYS 93 HB2 CYS 93 1.385 23.839 19.074 739 HB3 CYS 93 HB3 CYS 93 2.163 22.279 18.830 740 HG CYS 93 HG CYS 93 3.808 25.216 19.453 741 H GLU 94 H GLU 94 2.509 21.615 15.648 742 HA GLU 94 HA GLU 94 5.435 21.465 15.763 743 HB2 GLU 94 HB2 GLU 94 5.180 19.191 14.896 744 HB3 GLU 94 HB3 GLU 94 4.223 19.423 16.352 745 HG2 GLU 94 HG2 GLU 94 2.351 18.888 15.301 746 HG3 GLU 94 HG3 GLU 94 2.677 20.035 14.003 747 H ALA 95 H ALA 95 2.790 22.121 13.632 748 HA ALA 95 HA ALA 95 4.701 22.468 11.416 749 HB1 ALA 95 HB1 ALA 95 3.279 21.530 9.876 750 HB2 ALA 95 HB2 ALA 95 2.941 20.534 11.293 751 HB3 ALA 95 HB3 ALA 95 1.842 21.840 10.851 752 HA PRO 96 HA PRO 96 3.326 26.630 11.132 753 HB2 PRO 96 HB2 PRO 96 3.651 27.092 8.476 754 HB3 PRO 96 HB3 PRO 96 5.008 26.947 9.599 755 HG2 PRO 96 HG2 PRO 96 3.870 24.904 7.731 756 HG3 PRO 96 HG3 PRO 96 5.568 25.286 8.071 757 HD2 PRO 96 HD2 PRO 96 4.302 23.163 9.177 758 HD3 PRO 96 HD3 PRO 96 5.585 24.055 10.020 759 H GLY 97 H GLY 97 1.093 26.161 11.668 760 HA2 GLY 97 HA2 GLY 97 -1.173 26.107 11.265 761 HA3 GLY 97 HA3 GLY 97 -0.779 27.218 9.962 762 H SER 98 H SER 98 0.512 23.999 9.935 763 HA SER 98 HA SER 98 -0.473 23.413 7.381 764 HB2 SER 98 HB2 SER 98 0.432 21.457 9.508 765 HB3 SER 98 HB3 SER 98 0.323 21.134 7.778 766 HG SER 98 HG SER 98 2.144 22.153 7.476 767 H CYS 99 H CYS 99 -1.510 20.863 7.459 768 HA CYS 99 HA CYS 99 -4.160 21.337 8.649 769 HB2 CYS 99 HB2 CYS 99 -3.414 19.668 6.238 770 HB3 CYS 99 HB3 CYS 99 -5.041 19.851 6.882 771 HG CYS 99 HG CYS 99 -4.760 21.376 4.532 772 H VAL 100 H VAL 100 -5.383 19.302 9.171 773 HA VAL 100 HA VAL 100 -3.562 17.273 10.298 774 HB VAL 100 HB VAL 100 -4.376 17.676 12.323 775 HG11 VAL 100 HG11 VAL 100 -5.859 19.541 12.764 776 HG12 VAL 100 HG12 VAL 100 -4.687 19.985 11.522 777 HG13 VAL 100 HG13 VAL 100 -6.345 19.586 11.070 778 HG21 VAL 100 HG21 VAL 100 -6.038 15.958 11.729 779 HG22 VAL 100 HG22 VAL 100 -6.669 17.127 12.888 780 HG23 VAL 100 HG23 VAL 100 -7.136 17.228 11.190 781 H ALA 101 H ALA 101 -4.012 15.182 9.896 782 HA ALA 101 HA ALA 101 -6.419 14.611 8.302 783 HB1 ALA 101 HB1 ALA 101 -4.226 12.632 8.403 784 HB2 ALA 101 HB2 ALA 101 -5.234 13.146 7.049 785 HB3 ALA 101 HB3 ALA 101 -3.885 14.152 7.576 786 H VAL 102 H VAL 102 -8.001 13.588 9.320 787 HA VAL 102 HA VAL 102 -7.311 11.608 11.386 788 HB VAL 102 HB VAL 102 -9.251 12.289 12.710 789 HG11 VAL 102 HG11 VAL 102 -7.867 14.876 12.371 790 HG12 VAL 102 HG12 VAL 102 -8.124 13.905 13.822 791 HG13 VAL 102 HG13 VAL 102 -6.845 13.475 12.687 792 HG21 VAL 102 HG21 VAL 102 -9.534 14.496 10.673 793 HG22 VAL 102 HG22 VAL 102 -10.662 13.168 10.945 794 HG23 VAL 102 HG23 VAL 102 -10.426 14.393 12.191 795 H HIS 103 H HIS 103 -8.679 9.824 11.551 796 HA HIS 103 HA HIS 103 -10.087 9.164 9.122 797 HB2 HIS 103 HB2 HIS 103 -8.829 7.724 11.237 798 HB3 HIS 103 HB3 HIS 103 -10.502 7.185 11.131 799 HD1 HIS 103 HD1 HIS 103 -7.620 5.823 10.161 800 HD2 HIS 103 HD2 HIS 103 -10.819 7.161 7.873 801 HE1 HIS 103 HE1 HIS 103 -7.450 4.585 7.979 802 H CYS 104 H CYS 104 -12.252 8.958 8.827 803 HA CYS 104 HA CYS 104 -14.079 9.092 11.069 804 HB2 CYS 104 HB2 CYS 104 -14.949 11.170 10.744 805 HB3 CYS 104 HB3 CYS 104 -13.342 11.492 10.105 806 HG CYS 104 HG CYS 104 -14.397 10.706 7.428 807 H VAL 105 H VAL 105 -16.180 8.424 10.559 808 HA VAL 105 HA VAL 105 -16.351 6.780 8.190 809 HB VAL 105 HB VAL 105 -18.774 6.459 9.234 810 HG11 VAL 105 HG11 VAL 105 -18.007 4.463 9.985 811 HG12 VAL 105 HG12 VAL 105 -16.556 4.968 9.117 812 HG13 VAL 105 HG13 VAL 105 -16.660 5.186 10.864 813 HG21 VAL 105 HG21 VAL 105 -17.269 7.017 11.750 814 HG22 VAL 105 HG22 VAL 105 -18.086 8.340 10.917 815 HG23 VAL 105 HG23 VAL 105 -19.009 6.944 11.473 816 H ALA 106 H ALA 106 -19.232 8.314 9.349 817 HA ALA 106 HA ALA 106 -19.495 9.699 6.762 818 HB1 ALA 106 HB1 ALA 106 -21.478 8.730 6.564 819 HB2 ALA 106 HB2 ALA 106 -21.224 7.898 8.098 820 HB3 ALA 106 HB3 ALA 106 -22.008 9.478 8.071 821 H GLY 107 H GLY 107 -19.631 10.047 10.225 822 HA2 GLY 107 HA2 GLY 107 -19.096 12.221 11.159 823 HA3 GLY 107 HA3 GLY 107 -20.014 12.948 9.848 824 H LEU 108 H LEU 108 -22.254 13.047 9.971 825 HA LEU 108 HA LEU 108 -24.137 13.563 11.190 826 HB2 LEU 108 HB2 LEU 108 -23.602 10.648 11.528 827 HB3 LEU 108 HB3 LEU 108 -24.969 11.377 12.370 828 HG LEU 108 HG LEU 108 -24.541 11.324 9.383 829 HD11 LEU 108 HD11 LEU 108 -26.479 9.838 9.373 830 HD12 LEU 108 HD12 LEU 108 -26.518 9.872 11.136 831 HD13 LEU 108 HD13 LEU 108 -25.145 9.150 10.298 832 HD21 LEU 108 HD21 LEU 108 -27.189 12.007 10.133 833 HD22 LEU 108 HD22 LEU 108 -26.016 12.973 9.238 834 HD23 LEU 108 HD23 LEU 108 -26.086 13.077 10.997 835 H GLY 109 H GLY 109 -22.798 11.191 13.462 836 HA2 GLY 109 HA2 GLY 109 -23.320 13.009 15.660 837 HA3 GLY 109 HA3 GLY 109 -22.771 11.345 15.788 838 H ARG 110 H ARG 110 -20.536 10.884 15.568 839 HA ARG 110 HA ARG 110 -18.763 12.323 16.954 840 HB2 ARG 110 HB2 ARG 110 -16.952 11.262 15.711 841 HB3 ARG 110 HB3 ARG 110 -18.261 10.121 15.990 842 HG2 ARG 110 HG2 ARG 110 -19.063 10.554 13.684 843 HG3 ARG 110 HG3 ARG 110 -17.643 11.570 13.426 844 HD2 ARG 110 HD2 ARG 110 -17.520 8.674 14.253 845 HD3 ARG 110 HD3 ARG 110 -17.422 9.225 12.581 846 HE ARG 110 HE ARG 110 -15.486 10.631 13.933 847 HH11 ARG 110 HH11 ARG 110 -16.222 7.277 13.357 848 HH12 ARG 110 HH12 ARG 110 -14.567 6.768 13.423 849 HH21 ARG 110 HH21 ARG 110 -13.304 9.973 14.022 850 HH22 ARG 110 HH22 ARG 110 -12.908 8.302 13.802 851 H ALA 111 H ALA 111 -19.513 12.857 13.540 852 HA ALA 111 HA ALA 111 -17.643 14.653 12.749 853 HB1 ALA 111 HB1 ALA 111 -19.822 15.830 11.678 854 HB2 ALA 111 HB2 ALA 111 -19.089 14.354 11.048 855 HB3 ALA 111 HB3 ALA 111 -20.490 14.257 12.115 856 HA PRO 112 HA PRO 112 -19.775 18.523 14.548 857 HB2 PRO 112 HB2 PRO 112 -22.241 18.278 15.657 858 HB3 PRO 112 HB3 PRO 112 -21.987 18.548 13.928 859 HG2 PRO 112 HG2 PRO 112 -22.559 15.995 15.383 860 HG3 PRO 112 HG3 PRO 112 -23.234 16.586 13.854 861 HD2 PRO 112 HD2 PRO 112 -21.250 14.746 13.956 862 HD3 PRO 112 HD3 PRO 112 -21.388 15.929 12.640 863 H VAL 113 H VAL 113 -20.439 15.561 16.340 864 HA VAL 113 HA VAL 113 -20.470 16.627 18.932 865 HB VAL 113 HB VAL 113 -19.738 13.896 17.898 866 HG11 VAL 113 HG11 VAL 113 -19.877 13.159 20.289 867 HG12 VAL 113 HG12 VAL 113 -18.454 14.125 19.895 868 HG13 VAL 113 HG13 VAL 113 -19.811 14.859 20.751 869 HG21 VAL 113 HG21 VAL 113 -22.066 14.428 17.703 870 HG22 VAL 113 HG22 VAL 113 -21.872 13.296 19.041 871 HG23 VAL 113 HG23 VAL 113 -22.123 15.011 19.367 872 H LEU 114 H LEU 114 -17.780 14.965 17.274 873 HA LEU 114 HA LEU 114 -15.837 15.526 19.206 874 HB2 LEU 114 HB2 LEU 114 -15.790 14.755 16.333 875 HB3 LEU 114 HB3 LEU 114 -14.292 15.311 17.075 876 HG LEU 114 HG LEU 114 -14.386 12.895 17.087 877 HD11 LEU 114 HD11 LEU 114 -13.986 12.496 19.431 878 HD12 LEU 114 HD12 LEU 114 -14.852 13.970 19.864 879 HD13 LEU 114 HD13 LEU 114 -13.328 14.069 18.982 880 HD21 LEU 114 HD21 LEU 114 -17.101 13.237 17.489 881 HD22 LEU 114 HD22 LEU 114 -16.525 12.581 19.021 882 HD23 LEU 114 HD23 LEU 114 -16.221 11.709 17.518 883 H VAL 115 H VAL 115 -16.381 17.156 16.077 884 HA VAL 115 HA VAL 115 -14.514 19.184 16.359 885 HB VAL 115 HB VAL 115 -15.751 20.435 14.710 886 HG11 VAL 115 HG11 VAL 115 -14.874 18.931 13.322 887 HG12 VAL 115 HG12 VAL 115 -15.196 17.605 14.441 888 HG13 VAL 115 HG13 VAL 115 -16.450 18.140 13.321 889 HG21 VAL 115 HG21 VAL 115 -17.969 20.392 15.519 890 HG22 VAL 115 HG22 VAL 115 -18.009 19.555 13.967 891 HG23 VAL 115 HG23 VAL 115 -18.035 18.630 15.468 892 H ALA 116 H ALA 116 -17.769 18.938 17.656 893 HA ALA 116 HA ALA 116 -18.107 21.603 18.469 894 HB1 ALA 116 HB1 ALA 116 -19.640 20.464 20.242 895 HB2 ALA 116 HB2 ALA 116 -20.060 20.382 18.530 896 HB3 ALA 116 HB3 ALA 116 -19.298 19.000 19.319 897 H LEU 117 H LEU 117 -16.759 18.804 20.188 898 HA LEU 117 HA LEU 117 -16.339 19.983 22.667 899 HB2 LEU 117 HB2 LEU 117 -16.061 17.566 22.064 900 HB3 LEU 117 HB3 LEU 117 -14.506 17.988 21.350 901 HG LEU 117 HG LEU 117 -14.480 16.975 23.681 902 HD11 LEU 117 HD11 LEU 117 -12.642 18.307 22.537 903 HD12 LEU 117 HD12 LEU 117 -12.576 18.202 24.296 904 HD13 LEU 117 HD13 LEU 117 -13.169 19.672 23.523 905 HD21 LEU 117 HD21 LEU 117 -14.992 19.682 24.765 906 HD22 LEU 117 HD22 LEU 117 -15.271 18.096 25.487 907 HD23 LEU 117 HD23 LEU 117 -16.398 18.730 24.286 908 H ALA 118 H ALA 118 -14.134 19.826 19.880 909 HA ALA 118 HA ALA 118 -12.058 21.317 21.105 910 HB1 ALA 118 HB1 ALA 118 -10.924 21.095 19.134 911 HB2 ALA 118 HB2 ALA 118 -12.085 19.778 18.966 912 HB3 ALA 118 HB3 ALA 118 -12.369 21.314 18.147 913 H LEU 119 H LEU 119 -14.816 22.196 19.095 914 HA LEU 119 HA LEU 119 -14.105 24.853 18.557 915 HB2 LEU 119 HB2 LEU 119 -15.863 23.994 17.294 916 HB3 LEU 119 HB3 LEU 119 -16.715 23.396 18.716 917 HG LEU 119 HG LEU 119 -17.433 25.607 19.295 918 HD11 LEU 119 HD11 LEU 119 -15.404 26.417 17.281 919 HD12 LEU 119 HD12 LEU 119 -15.780 27.116 18.855 920 HD13 LEU 119 HD13 LEU 119 -16.838 27.424 17.479 921 HD21 LEU 119 HD21 LEU 119 -18.843 26.132 17.415 922 HD22 LEU 119 HD22 LEU 119 -18.710 24.380 17.566 923 HD23 LEU 119 HD23 LEU 119 -17.789 25.231 16.325 924 H ILE 120 H ILE 120 -16.128 23.512 21.160 925 HA ILE 120 HA ILE 120 -16.687 25.933 22.449 926 HB ILE 120 HB ILE 120 -16.768 23.074 23.230 927 HG12 ILE 120 HG12 ILE 120 -19.065 23.688 23.860 928 HG13 ILE 120 HG13 ILE 120 -18.703 25.381 23.541 929 HG21 ILE 120 HG21 ILE 120 -17.391 23.766 25.580 930 HG22 ILE 120 HG22 ILE 120 -15.678 23.854 25.174 931 HG23 ILE 120 HG23 ILE 120 -16.650 25.325 25.220 932 HD11 ILE 120 HD11 ILE 120 -19.971 24.204 21.744 933 HD12 ILE 120 HD12 ILE 120 -18.474 24.971 21.214 934 HD13 ILE 120 HD13 ILE 120 -18.533 23.226 21.455 935 H GLU 121 H GLU 121 -14.062 23.600 22.973 936 HA GLU 121 HA GLU 121 -12.874 24.909 25.158 937 HB2 GLU 121 HB2 GLU 121 -11.559 23.169 23.064 938 HB3 GLU 121 HB3 GLU 121 -10.875 23.583 24.630 939 HG2 GLU 121 HG2 GLU 121 -13.543 22.295 24.594 940 HG3 GLU 121 HG3 GLU 121 -12.142 21.302 24.193 941 H SER 122 H SER 122 -12.945 25.682 21.828 942 HA SER 122 HA SER 122 -10.500 27.154 21.708 943 HB2 SER 122 HB2 SER 122 -10.970 27.311 19.511 944 HB3 SER 122 HB3 SER 122 -12.338 26.250 19.848 945 HG SER 122 HG SER 122 -12.303 29.070 19.657 946 H GLY 123 H GLY 123 -13.591 27.782 23.007 947 HA2 GLY 123 HA2 GLY 123 -13.608 29.751 24.526 948 HA3 GLY 123 HA3 GLY 123 -12.942 30.661 23.179 949 H MET 124 H MET 124 -15.256 28.337 22.275 950 HA MET 124 HA MET 124 -17.188 30.475 21.760 951 HB2 MET 124 HB2 MET 124 -16.248 28.485 20.136 952 HB3 MET 124 HB3 MET 124 -17.763 27.794 20.700 953 HG2 MET 124 HG2 MET 124 -18.567 28.887 18.904 954 HG3 MET 124 HG3 MET 124 -18.640 30.222 20.052 955 HE1 MET 124 HE1 MET 124 -15.573 32.382 19.137 956 HE2 MET 124 HE2 MET 124 -17.013 32.203 20.139 957 HE3 MET 124 HE3 MET 124 -15.629 31.137 20.386 958 H LYS 125 H LYS 125 -19.420 30.205 22.233 959 HA LYS 125 HA LYS 125 -19.901 28.972 24.766 960 HB2 LYS 125 HB2 LYS 125 -22.299 29.750 23.317 961 HB3 LYS 125 HB3 LYS 125 -21.667 30.353 24.843 962 HG2 LYS 125 HG2 LYS 125 -20.001 31.666 23.378 963 HG3 LYS 125 HG3 LYS 125 -21.132 31.325 22.066 964 HD2 LYS 125 HD2 LYS 125 -22.005 33.303 22.786 965 HD3 LYS 125 HD3 LYS 125 -22.880 32.211 23.861 966 HE2 LYS 125 HE2 LYS 125 -20.542 32.675 25.228 967 HE3 LYS 125 HE3 LYS 125 -20.865 34.234 24.470 968 HZ1 LYS 125 HZ1 LYS 125 -22.072 33.142 26.736 969 HZ2 LYS 125 HZ2 LYS 125 -23.260 33.234 25.536 970 HZ3 LYS 125 HZ3 LYS 125 -22.407 34.623 25.989 971 H TYR 126 H TYR 126 -20.878 27.086 25.246 972 HA TYR 126 HA TYR 126 -20.948 24.976 23.471 973 HB2 TYR 126 HB2 TYR 126 -21.167 24.030 25.497 974 HB3 TYR 126 HB3 TYR 126 -21.889 25.481 26.183 975 HD1 TYR 126 HD2 TYR 126 -22.741 22.576 24.001 976 HD2 TYR 126 HD1 TYR 126 -24.116 25.442 26.828 977 HE1 TYR 126 HE2 TYR 126 -24.925 21.448 24.073 978 HE2 TYR 126 HE1 TYR 126 -26.304 24.322 26.909 979 HH TYR 126 HH TYR 126 -26.856 21.291 25.866 980 H GLU 127 H GLU 127 -23.662 27.023 24.517 981 HA GLU 127 HA GLU 127 -25.647 25.754 22.994 982 HB2 GLU 127 HB2 GLU 127 -25.468 28.623 23.930 983 HB3 GLU 127 HB3 GLU 127 -26.916 27.878 23.268 984 HG2 GLU 127 HG2 GLU 127 -27.135 26.427 25.109 985 HG3 GLU 127 HG3 GLU 127 -25.509 26.790 25.684 986 H ASP 128 H ASP 128 -23.853 28.755 22.294 987 HA ASP 128 HA ASP 128 -24.870 29.294 19.790 988 HB2 ASP 128 HB2 ASP 128 -22.896 30.372 21.363 989 HB3 ASP 128 HB3 ASP 128 -21.978 29.757 19.991 990 H ALA 129 H ALA 129 -21.888 27.462 20.483 991 HA ALA 129 HA ALA 129 -21.273 26.701 17.895 992 HB1 ALA 129 HB1 ALA 129 -19.576 26.156 19.301 993 HB2 ALA 129 HB2 ALA 129 -20.662 25.620 20.585 994 HB3 ALA 129 HB3 ALA 129 -20.350 24.574 19.199 995 H ILE 130 H ILE 130 -23.310 25.002 20.262 996 HA ILE 130 HA ILE 130 -23.897 22.734 18.778 997 HB ILE 130 HB ILE 130 -25.527 24.226 20.820 998 HG12 ILE 130 HG12 ILE 130 -24.207 23.101 22.235 999 HG13 ILE 130 HG13 ILE 130 -24.883 21.597 21.618 1000 HG21 ILE 130 HG21 ILE 130 -26.965 22.177 20.904 1001 HG22 ILE 130 HG22 ILE 130 -27.154 23.154 19.449 1002 HG23 ILE 130 HG23 ILE 130 -26.212 21.664 19.394 1003 HD11 ILE 130 HD11 ILE 130 -22.470 21.547 21.536 1004 HD12 ILE 130 HD12 ILE 130 -23.136 21.537 19.902 1005 HD13 ILE 130 HD13 ILE 130 -22.449 23.019 20.566 1006 H GLN 131 H GLN 131 -25.854 25.710 19.003 1007 HA GLN 131 HA GLN 131 -27.823 25.071 17.190 1008 HB2 GLN 131 HB2 GLN 131 -26.552 27.694 17.922 1009 HB3 GLN 131 HB3 GLN 131 -27.839 27.615 16.726 1010 HG2 GLN 131 HG2 GLN 131 -28.139 27.861 19.457 1011 HG3 GLN 131 HG3 GLN 131 -29.398 27.461 18.290 1012 HE21 GLN 131 HE21 GLN 131 -27.385 26.317 20.825 1013 HE22 GLN 131 HE22 GLN 131 -28.047 24.726 20.933 1014 H PHE 132 H PHE 132 -24.539 26.117 16.581 1015 HA PHE 132 HA PHE 132 -24.866 26.683 13.819 1016 HB2 PHE 132 HB2 PHE 132 -22.956 27.434 15.324 1017 HB3 PHE 132 HB3 PHE 132 -22.302 25.809 15.147 1018 HD1 PHE 132 HD1 PHE 132 -23.952 27.991 12.630 1019 HD2 PHE 132 HD2 PHE 132 -20.375 26.059 13.891 1020 HE1 PHE 132 HE1 PHE 132 -22.852 28.665 10.534 1021 HE2 PHE 132 HE2 PHE 132 -19.270 26.731 11.798 1022 HZ PHE 132 HZ PHE 132 -20.508 28.037 10.117 1023 H ILE 133 H ILE 133 -23.182 23.948 15.374 1024 HA ILE 133 HA ILE 133 -23.089 22.400 13.002 1025 HB ILE 133 HB ILE 133 -22.493 20.509 14.532 1026 HG12 ILE 133 HG12 ILE 133 -22.320 22.457 16.786 1027 HG13 ILE 133 HG13 ILE 133 -23.886 21.735 16.434 1028 HG21 ILE 133 HG21 ILE 133 -21.059 22.863 13.917 1029 HG22 ILE 133 HG22 ILE 133 -20.626 22.401 15.562 1030 HG23 ILE 133 HG23 ILE 133 -20.423 21.251 14.241 1031 HD11 ILE 133 HD11 ILE 133 -21.475 20.007 16.756 1032 HD12 ILE 133 HD12 ILE 133 -22.333 20.624 18.167 1033 HD13 ILE 133 HD13 ILE 133 -23.177 19.613 16.994 1034 H ARG 134 H ARG 134 -25.624 23.096 15.094 1035 HA ARG 134 HA ARG 134 -27.025 20.579 14.639 1036 HB2 ARG 134 HB2 ARG 134 -27.218 21.476 16.862 1037 HB3 ARG 134 HB3 ARG 134 -27.730 23.039 16.241 1038 HG2 ARG 134 HG2 ARG 134 -29.819 22.133 15.502 1039 HG3 ARG 134 HG3 ARG 134 -29.299 20.495 15.901 1040 HD2 ARG 134 HD2 ARG 134 -29.022 21.367 18.291 1041 HD3 ARG 134 HD3 ARG 134 -29.962 22.759 17.758 1042 HE ARG 134 HE ARG 134 -31.214 20.249 17.160 1043 HH11 ARG 134 HH11 ARG 134 -30.743 22.689 19.598 1044 HH12 ARG 134 HH12 ARG 134 -32.205 22.308 20.447 1045 HH21 ARG 134 HH21 ARG 134 -33.141 19.738 18.269 1046 HH22 ARG 134 HH22 ARG 134 -33.568 20.629 19.690 1047 H GLN 135 H GLN 135 -27.332 24.023 13.871 1048 HA GLN 135 HA GLN 135 -29.756 23.797 12.431 1049 HB2 GLN 135 HB2 GLN 135 -29.438 26.037 11.806 1050 HB3 GLN 135 HB3 GLN 135 -28.662 25.910 13.379 1051 HG2 GLN 135 HG2 GLN 135 -27.061 27.059 12.257 1052 HG3 GLN 135 HG3 GLN 135 -26.535 25.413 11.908 1053 HE21 GLN 135 HE21 GLN 135 -25.650 25.594 9.951 1054 HE22 GLN 135 HE22 GLN 135 -26.455 26.201 8.548 1055 H LYS 136 H LYS 136 -26.381 23.482 11.529 1056 HA LYS 136 HA LYS 136 -26.554 23.635 8.769 1057 HB2 LYS 136 HB2 LYS 136 -24.588 22.028 8.791 1058 HB3 LYS 136 HB3 LYS 136 -24.398 23.501 9.734 1059 HG2 LYS 136 HG2 LYS 136 -24.503 22.391 11.744 1060 HG3 LYS 136 HG3 LYS 136 -25.402 21.031 11.067 1061 HD2 LYS 136 HD2 LYS 136 -22.733 21.419 9.914 1062 HD3 LYS 136 HD3 LYS 136 -22.734 21.017 11.633 1063 HE2 LYS 136 HE2 LYS 136 -23.538 18.928 11.280 1064 HE3 LYS 136 HE3 LYS 136 -24.532 19.426 9.912 1065 HZ1 LYS 136 HZ1 LYS 136 -22.782 18.000 9.150 1066 HZ2 LYS 136 HZ2 LYS 136 -21.600 18.958 9.890 1067 HZ3 LYS 136 HZ3 LYS 136 -22.482 19.565 8.580 1068 H ARG 137 H ARG 137 -27.647 21.141 10.914 1069 HA ARG 137 HA ARG 137 -28.778 19.709 8.632 1070 HB2 ARG 137 HB2 ARG 137 -26.948 18.526 10.703 1071 HB3 ARG 137 HB3 ARG 137 -28.136 17.533 9.869 1072 HG2 ARG 137 HG2 ARG 137 -26.383 19.212 8.182 1073 HG3 ARG 137 HG3 ARG 137 -25.636 17.842 9.006 1074 HD2 ARG 137 HD2 ARG 137 -27.747 16.570 8.068 1075 HD3 ARG 137 HD3 ARG 137 -27.730 17.883 6.891 1076 HE ARG 137 HE ARG 137 -25.859 15.706 7.093 1077 HH11 ARG 137 HH11 ARG 137 -26.383 18.947 5.935 1078 HH12 ARG 137 HH12 ARG 137 -25.163 18.846 4.709 1079 HH21 ARG 137 HH21 ARG 137 -24.250 15.561 5.482 1080 HH22 ARG 137 HH22 ARG 137 -23.951 16.919 4.452 1081 H ARG 138 H ARG 138 -28.614 18.334 11.822 1082 HA ARG 138 HA ARG 138 -30.808 19.439 13.074 1083 HB2 ARG 138 HB2 ARG 138 -32.295 18.837 11.364 1084 HB3 ARG 138 HB3 ARG 138 -31.521 17.278 11.115 1085 HG2 ARG 138 HG2 ARG 138 -32.640 17.629 13.791 1086 HG3 ARG 138 HG3 ARG 138 -33.833 17.690 12.493 1087 HD2 ARG 138 HD2 ARG 138 -33.046 15.549 11.647 1088 HD3 ARG 138 HD3 ARG 138 -31.805 15.495 12.899 1089 HE ARG 138 HE ARG 138 -33.384 14.732 14.356 1090 HH11 ARG 138 HH11 ARG 138 -34.990 16.260 11.672 1091 HH12 ARG 138 HH12 ARG 138 -36.578 15.804 12.194 1092 HH21 ARG 138 HH21 ARG 138 -35.470 14.126 15.054 1093 HH22 ARG 138 HH22 ARG 138 -36.850 14.591 14.118 1094 H GLY 139 H GLY 139 -30.644 18.778 15.114 1095 HA2 GLY 139 HA2 GLY 139 -29.903 17.570 16.931 1096 HA3 GLY 139 HA3 GLY 139 -30.682 16.228 16.106 1097 H ALA 140 H ALA 140 -27.704 18.129 15.607 1098 HA ALA 140 HA ALA 140 -26.273 15.768 14.777 1099 HB1 ALA 140 HB1 ALA 140 -25.130 17.307 13.661 1100 HB2 ALA 140 HB2 ALA 140 -25.919 18.604 14.560 1101 HB3 ALA 140 HB3 ALA 140 -24.449 17.862 15.190 1102 H ILE 141 H ILE 141 -25.689 18.174 17.353 1103 HA ILE 141 HA ILE 141 -24.111 16.192 18.805 1104 HB ILE 141 HB ILE 141 -23.102 18.376 18.610 1105 HG12 ILE 141 HG12 ILE 141 -23.875 18.605 21.432 1106 HG13 ILE 141 HG13 ILE 141 -23.400 16.979 20.957 1107 HG21 ILE 141 HG21 ILE 141 -24.545 20.108 20.189 1108 HG22 ILE 141 HG22 ILE 141 -24.484 20.118 18.428 1109 HG23 ILE 141 HG23 ILE 141 -25.791 19.275 19.260 1110 HD11 ILE 141 HD11 ILE 141 -21.546 18.900 19.911 1111 HD12 ILE 141 HD12 ILE 141 -21.737 19.104 21.653 1112 HD13 ILE 141 HD13 ILE 141 -21.263 17.538 20.995 1113 H ASN 142 H ASN 142 -27.277 16.996 18.618 1114 HA ASN 142 HA ASN 142 -28.189 17.360 21.205 1115 HB2 ASN 142 HB2 ASN 142 -29.338 16.825 18.704 1116 HB3 ASN 142 HB3 ASN 142 -29.921 15.544 19.763 1117 HD21 ASN 142 HD21 ASN 142 -29.468 19.056 19.682 1118 HD22 ASN 142 HD22 ASN 142 -30.914 19.435 20.548 1119 H SER 143 H SER 143 -29.488 15.669 22.459 1120 HA SER 143 HA SER 143 -29.679 13.622 23.498 1121 HB2 SER 143 HB2 SER 143 -27.350 12.501 21.979 1122 HB3 SER 143 HB3 SER 143 -28.791 11.679 22.578 1123 HG SER 143 HG SER 143 -29.977 12.591 20.931 1124 H LYS 144 H LYS 144 -27.483 11.908 24.196 1125 HA LYS 144 HA LYS 144 -26.594 12.929 26.540 1126 HB2 LYS 144 HB2 LYS 144 -24.906 11.196 24.727 1127 HB3 LYS 144 HB3 LYS 144 -24.766 11.331 26.475 1128 HG2 LYS 144 HG2 LYS 144 -26.073 9.538 26.573 1129 HG3 LYS 144 HG3 LYS 144 -27.397 10.611 26.114 1130 HD2 LYS 144 HD2 LYS 144 -26.189 10.000 23.705 1131 HD3 LYS 144 HD3 LYS 144 -26.109 8.483 24.604 1132 HE2 LYS 144 HE2 LYS 144 -28.428 8.352 24.819 1133 HE3 LYS 144 HE3 LYS 144 -28.651 10.066 24.471 1134 HZ1 LYS 144 HZ1 LYS 144 -28.867 7.982 22.693 1135 HZ2 LYS 144 HZ2 LYS 144 -27.402 8.727 22.296 1136 HZ3 LYS 144 HZ3 LYS 144 -28.831 9.632 22.317 1137 H GLN 145 H GLN 145 -24.921 13.247 23.419 1138 HA GLN 145 HA GLN 145 -22.646 14.566 24.181 1139 HB2 GLN 145 HB2 GLN 145 -24.288 15.288 21.751 1140 HB3 GLN 145 HB3 GLN 145 -22.556 15.511 21.961 1141 HG2 GLN 145 HG2 GLN 145 -23.882 12.816 21.985 1142 HG3 GLN 145 HG3 GLN 145 -23.245 13.573 20.527 1143 HE21 GLN 145 HE21 GLN 145 -22.166 11.279 20.955 1144 HE22 GLN 145 HE22 GLN 145 -20.595 11.383 21.666 1145 H LEU 146 H LEU 146 -25.690 16.162 23.220 1146 HA LEU 146 HA LEU 146 -25.002 18.772 23.726 1147 HB2 LEU 146 HB2 LEU 146 -27.331 17.392 23.130 1148 HB3 LEU 146 HB3 LEU 146 -27.689 18.194 24.658 1149 HG LEU 146 HG LEU 146 -26.899 20.340 23.525 1150 HD11 LEU 146 HD11 LEU 146 -27.640 19.256 20.913 1151 HD12 LEU 146 HD12 LEU 146 -26.102 18.657 21.533 1152 HD13 LEU 146 HD13 LEU 146 -26.365 20.392 21.354 1153 HD21 LEU 146 HD21 LEU 146 -29.180 20.193 23.953 1154 HD22 LEU 146 HD22 LEU 146 -29.404 18.847 22.835 1155 HD23 LEU 146 HD23 LEU 146 -29.113 20.472 22.212 1156 H THR 147 H THR 147 -26.582 16.556 26.032 1157 HA THR 147 HA THR 147 -26.537 18.271 28.236 1158 HB THR 147 HB THR 147 -26.951 16.357 29.615 1159 HG1 THR 147 HG1 THR 147 -26.755 14.212 28.430 1160 HG21 THR 147 HG21 THR 147 -28.651 17.063 27.803 1161 HG22 THR 147 HG22 THR 147 -28.886 15.515 28.615 1162 HG23 THR 147 HG23 THR 147 -28.186 15.565 26.997 1163 H TYR 148 H TYR 148 -24.081 16.135 26.934 1164 HA TYR 148 HA TYR 148 -22.326 15.934 29.050 1165 HB2 TYR 148 HB2 TYR 148 -22.141 14.882 26.736 1166 HB3 TYR 148 HB3 TYR 148 -21.423 16.400 26.209 1167 HD1 TYR 148 HD2 TYR 148 -21.012 13.899 28.961 1168 HD2 TYR 148 HD1 TYR 148 -19.122 16.524 26.197 1169 HE1 TYR 148 HE2 TYR 148 -18.811 13.118 29.733 1170 HE2 TYR 148 HE1 TYR 148 -16.916 15.749 26.959 1171 HH TYR 148 HH TYR 148 -16.278 14.379 29.652 1172 H LEU 149 H LEU 149 -22.146 18.391 26.466 1173 HA LEU 149 HA LEU 149 -20.210 19.966 27.800 1174 HB2 LEU 149 HB2 LEU 149 -21.269 19.893 25.282 1175 HB3 LEU 149 HB3 LEU 149 -21.965 21.377 25.928 1176 HG LEU 149 HG LEU 149 -19.969 21.921 24.721 1177 HD11 LEU 149 HD11 LEU 149 -19.176 23.376 26.240 1178 HD12 LEU 149 HD12 LEU 149 -18.848 22.119 27.432 1179 HD13 LEU 149 HD13 LEU 149 -20.485 22.745 27.239 1180 HD21 LEU 149 HD21 LEU 149 -18.239 20.541 24.591 1181 HD22 LEU 149 HD22 LEU 149 -19.042 19.449 25.719 1182 HD23 LEU 149 HD23 LEU 149 -17.951 20.696 26.324 1183 H GLU 150 H GLU 150 -23.700 19.899 27.850 1184 HA GLU 150 HA GLU 150 -24.267 22.411 28.889 1185 HB2 GLU 150 HB2 GLU 150 -25.826 20.424 28.172 1186 HB3 GLU 150 HB3 GLU 150 -25.753 20.008 29.878 1187 HG2 GLU 150 HG2 GLU 150 -26.460 22.786 29.052 1188 HG3 GLU 150 HG3 GLU 150 -27.671 21.507 28.988 1189 H LYS 151 H LYS 151 -23.402 19.423 30.592 1190 HA LYS 151 HA LYS 151 -23.361 20.828 33.143 1191 HB2 LYS 151 HB2 LYS 151 -23.156 17.961 32.303 1192 HB3 LYS 151 HB3 LYS 151 -22.574 18.440 33.892 1193 HG2 LYS 151 HG2 LYS 151 -25.018 19.613 33.859 1194 HG3 LYS 151 HG3 LYS 151 -25.313 18.170 32.886 1195 HD2 LYS 151 HD2 LYS 151 -25.776 17.635 35.175 1196 HD3 LYS 151 HD3 LYS 151 -24.284 16.815 34.711 1197 HE2 LYS 151 HE2 LYS 151 -23.234 17.792 36.405 1198 HE3 LYS 151 HE3 LYS 151 -23.577 19.370 35.699 1199 HZ1 LYS 151 HZ1 LYS 151 -25.519 19.584 36.957 1200 HZ2 LYS 151 HZ2 LYS 151 -24.387 18.958 38.047 1201 HZ3 LYS 151 HZ3 LYS 151 -25.559 17.944 37.369 1202 H TYR 152 H TYR 152 -21.178 19.620 30.724 1203 HA TYR 152 HA TYR 152 -18.820 19.543 32.268 1204 HB2 TYR 152 HB2 TYR 152 -19.106 18.513 30.005 1205 HB3 TYR 152 HB3 TYR 152 -19.045 20.128 29.310 1206 HD1 TYR 152 HD2 TYR 152 -16.941 21.463 29.491 1207 HD2 TYR 152 HD1 TYR 152 -17.123 17.371 30.642 1208 HE1 TYR 152 HE2 TYR 152 -14.487 21.332 29.393 1209 HE2 TYR 152 HE1 TYR 152 -14.670 17.229 30.548 1210 HH TYR 152 HH TYR 152 -12.733 19.761 29.206 1211 H ARG 153 H ARG 153 -17.107 21.031 32.423 1212 HA ARG 153 HA ARG 153 -17.889 23.830 31.933 1213 HB2 ARG 153 HB2 ARG 153 -16.943 24.491 33.945 1214 HB3 ARG 153 HB3 ARG 153 -17.640 22.932 34.363 1215 HG2 ARG 153 HG2 ARG 153 -15.588 22.697 35.307 1216 HG3 ARG 153 HG3 ARG 153 -15.235 22.074 33.695 1217 HD2 ARG 153 HD2 ARG 153 -14.011 23.907 33.103 1218 HD3 ARG 153 HD3 ARG 153 -14.928 24.991 34.148 1219 HE ARG 153 HE ARG 153 -13.360 24.645 35.761 1220 HH11 ARG 153 HH11 ARG 153 -13.269 21.960 33.546 1221 HH12 ARG 153 HH12 ARG 153 -11.912 21.205 34.313 1222 HH21 ARG 153 HH21 ARG 153 -11.572 23.660 36.779 1223 HH22 ARG 153 HH22 ARG 153 -10.948 22.172 36.152 1224 HA PRO 154 HA PRO 154 -14.366 23.998 29.263 1225 HB2 PRO 154 HB2 PRO 154 -14.278 26.697 28.976 1226 HB3 PRO 154 HB3 PRO 154 -15.481 25.684 28.169 1227 HG2 PRO 154 HG2 PRO 154 -15.743 27.310 30.668 1228 HG3 PRO 154 HG3 PRO 154 -16.882 27.139 29.320 1229 HD2 PRO 154 HD2 PRO 154 -17.172 25.793 31.652 1230 HD3 PRO 154 HD3 PRO 154 -17.686 25.121 30.091 1231 H LYS 155 H LYS 155 -12.478 23.493 30.222 1232 HA LYS 155 HA LYS 155 -11.457 24.967 32.474 1233 HB2 LYS 155 HB2 LYS 155 -9.532 23.428 32.308 1234 HB3 LYS 155 HB3 LYS 155 -11.069 22.574 32.348 1235 HG2 LYS 155 HG2 LYS 155 -10.451 23.051 29.635 1236 HG3 LYS 155 HG3 LYS 155 -8.990 22.434 30.410 1237 HD2 LYS 155 HD2 LYS 155 -11.661 21.122 30.814 1238 HD3 LYS 155 HD3 LYS 155 -10.640 20.732 29.428 1239 HE2 LYS 155 HE2 LYS 155 -9.522 19.303 30.707 1240 HE3 LYS 155 HE3 LYS 155 -8.971 20.659 31.689 1241 HZ1 LYS 155 HZ1 LYS 155 -11.491 20.201 32.589 1242 HZ2 LYS 155 HZ2 LYS 155 -10.069 19.674 33.337 1243 HZ3 LYS 155 HZ3 LYS 155 -10.911 18.639 32.297 1244 H GLN 156 H GLN 156 -11.581 25.693 29.299 1245 HA GLN 156 HA GLN 156 -10.497 27.167 27.949 1246 HB2 GLN 156 HB2 GLN 156 -8.975 28.040 30.402 1247 HB3 GLN 156 HB3 GLN 156 -9.320 28.983 28.958 1248 HG2 GLN 156 HG2 GLN 156 -11.107 29.795 29.967 1249 HG3 GLN 156 HG3 GLN 156 -11.806 28.177 29.963 1250 HE21 GLN 156 HE21 GLN 156 -12.837 28.328 31.901 1251 HE22 GLN 156 HE22 GLN 156 -12.015 28.455 33.415 1252 H ARG 157 H ARG 157 -9.502 25.127 27.122 1253 HA ARG 157 HA ARG 157 -6.661 24.855 27.775 1254 HB2 ARG 157 HB2 ARG 157 -8.037 22.811 27.738 1255 HB3 ARG 157 HB3 ARG 157 -8.438 23.117 26.054 1256 HG2 ARG 157 HG2 ARG 157 -6.738 21.462 26.100 1257 HG3 ARG 157 HG3 ARG 157 -6.001 22.961 25.529 1258 HD2 ARG 157 HD2 ARG 157 -4.504 22.851 27.164 1259 HD3 ARG 157 HD3 ARG 157 -5.800 22.910 28.358 1260 HE ARG 157 HE ARG 157 -5.546 20.659 28.694 1261 HH11 ARG 157 HH11 ARG 157 -3.923 21.568 25.752 1262 HH12 ARG 157 HH12 ARG 157 -3.170 20.022 25.536 1263 HH21 ARG 157 HH21 ARG 157 -4.562 18.620 28.421 1264 HH22 ARG 157 HH22 ARG 157 -3.535 18.346 27.055 1265 H LEU 158 H LEU 158 -8.687 24.960 24.837 1266 HA LEU 158 HA LEU 158 -6.466 25.595 23.152 1267 HB2 LEU 158 HB2 LEU 158 -9.273 24.974 22.848 1268 HB3 LEU 158 HB3 LEU 158 -8.795 26.308 21.800 1269 HG LEU 158 HG LEU 158 -8.707 24.029 20.755 1270 HD11 LEU 158 HD11 LEU 158 -6.457 25.961 20.857 1271 HD12 LEU 158 HD12 LEU 158 -7.504 25.508 19.512 1272 HD13 LEU 158 HD13 LEU 158 -6.199 24.433 20.015 1273 HD21 LEU 158 HD21 LEU 158 -7.699 23.070 22.956 1274 HD22 LEU 158 HD22 LEU 158 -6.163 23.585 22.258 1275 HD23 LEU 158 HD23 LEU 158 -7.179 22.426 21.398 1276 H ARG 159 H ARG 159 -8.786 27.420 24.972 1277 HA ARG 159 HA ARG 159 -7.372 29.820 24.797 1278 HB2 ARG 159 HB2 ARG 159 -9.022 29.318 22.518 1279 HB3 ARG 159 HB3 ARG 159 -9.716 30.655 23.426 1280 HG2 ARG 159 HG2 ARG 159 -6.808 30.787 23.018 1281 HG3 ARG 159 HG3 ARG 159 -7.792 30.923 21.560 1282 HD2 ARG 159 HD2 ARG 159 -9.157 32.642 22.919 1283 HD3 ARG 159 HD3 ARG 159 -7.751 32.684 23.983 1284 HE ARG 159 HE ARG 159 -7.010 33.045 21.261 1285 HH11 ARG 159 HH11 ARG 159 -8.388 34.677 24.010 1286 HH12 ARG 159 HH12 ARG 159 -7.871 36.250 23.500 1287 HH21 ARG 159 HH21 ARG 159 -6.324 35.110 20.578 1288 HH22 ARG 159 HH22 ARG 159 -6.698 36.495 21.547 1289 H PHE 160 H PHE 160 -9.121 31.754 25.259 1290 HA PHE 160 HA PHE 160 -10.325 30.954 27.755 1291 HB2 PHE 160 HB2 PHE 160 -9.068 33.120 27.396 1292 HB3 PHE 160 HB3 PHE 160 -10.445 33.675 26.449 1293 HD1 PHE 160 HD1 PHE 160 -10.164 31.824 29.675 1294 HD2 PHE 160 HD2 PHE 160 -11.602 35.266 27.626 1295 HE1 PHE 160 HE1 PHE 160 -11.269 32.586 31.738 1296 HE2 PHE 160 HE2 PHE 160 -12.708 36.034 29.685 1297 HZ PHE 160 HZ PHE 160 -12.542 34.694 31.745 1298 H LYS 161 H LYS 161 -12.366 30.361 28.031 1299 HA LYS 161 HA LYS 161 -14.311 31.001 25.915 1300 HB2 LYS 161 HB2 LYS 161 -13.684 28.553 26.470 1301 HB3 LYS 161 HB3 LYS 161 -14.650 28.788 27.921 1302 HG2 LYS 161 HG2 LYS 161 -15.969 29.608 25.436 1303 HG3 LYS 161 HG3 LYS 161 -15.603 27.885 25.549 1304 HD2 LYS 161 HD2 LYS 161 -16.626 28.646 28.057 1305 HD3 LYS 161 HD3 LYS 161 -17.673 29.390 26.846 1306 HE2 LYS 161 HE2 LYS 161 -17.618 27.044 25.735 1307 HE3 LYS 161 HE3 LYS 161 -17.082 26.494 27.322 1308 HZ1 LYS 161 HZ1 LYS 161 -19.469 28.194 27.131 1309 HZ2 LYS 161 HZ2 LYS 161 -19.081 27.013 28.278 1310 HZ3 LYS 161 HZ3 LYS 161 -19.599 26.554 26.735 1311 H ASP 162 H ASP 162 -16.615 31.101 26.721 1312 HA ASP 162 HA ASP 162 -17.015 33.225 28.402 1313 HB2 ASP 162 HB2 ASP 162 -18.744 32.271 26.912 1314 HB3 ASP 162 HB3 ASP 162 -18.918 30.905 28.010 Start of MODEL 8 1 H1 MET 1 H MET 1 -9.055 -2.658 -1.219 2 HA MET 1 HA MET 1 -11.010 -1.496 -2.234 3 HB2 MET 1 HB2 MET 1 -9.598 0.777 -0.865 4 HB3 MET 1 HB3 MET 1 -10.658 1.068 -2.238 5 HG2 MET 1 HG2 MET 1 -12.441 0.972 -0.939 6 HG3 MET 1 HG3 MET 1 -11.984 -0.630 -0.365 7 HE1 MET 1 HE1 MET 1 -11.406 -0.646 2.770 8 HE2 MET 1 HE2 MET 1 -10.603 -1.195 1.299 9 HE3 MET 1 HE3 MET 1 -9.738 -0.171 2.446 10 H ALA 2 H ALA 2 -7.630 -0.422 -2.134 11 HA ALA 2 HA ALA 2 -7.037 -1.281 -4.732 12 HB1 ALA 2 HB1 ALA 2 -6.933 1.635 -4.931 13 HB2 ALA 2 HB2 ALA 2 -7.451 0.433 -6.113 14 HB3 ALA 2 HB3 ALA 2 -8.568 0.977 -4.861 15 H ARG 3 H ARG 3 -4.881 -0.555 -5.464 16 HA ARG 3 HA ARG 3 -3.223 0.290 -3.178 17 HB2 ARG 3 HB2 ARG 3 -3.107 -2.106 -4.556 18 HB3 ARG 3 HB3 ARG 3 -1.821 -1.157 -5.291 19 HG2 ARG 3 HG2 ARG 3 -0.640 -2.086 -3.601 20 HG3 ARG 3 HG3 ARG 3 -1.253 -0.672 -2.742 21 HD2 ARG 3 HD2 ARG 3 -1.552 -2.666 -1.395 22 HD3 ARG 3 HD3 ARG 3 -3.118 -2.021 -1.886 23 HE ARG 3 HE ARG 3 -2.621 -3.854 -3.791 24 HH11 ARG 3 HH11 ARG 3 -2.507 -3.983 -0.314 25 HH12 ARG 3 HH12 ARG 3 -2.924 -5.663 -0.233 26 HH21 ARG 3 HH21 ARG 3 -3.172 -6.065 -3.697 27 HH22 ARG 3 HH22 ARG 3 -3.301 -6.846 -2.158 28 H MET 4 H MET 4 -4.518 1.657 -5.667 29 HA MET 4 HA MET 4 -2.632 3.692 -5.963 30 HB2 MET 4 HB2 MET 4 -1.843 1.484 -7.408 31 HB3 MET 4 HB3 MET 4 -2.694 2.443 -8.611 32 HG2 MET 4 HG2 MET 4 -1.085 4.261 -7.252 33 HG3 MET 4 HG3 MET 4 -0.084 2.827 -7.462 34 HE1 MET 4 HE1 MET 4 0.648 1.894 -10.070 35 HE2 MET 4 HE2 MET 4 -1.060 1.500 -9.876 36 HE3 MET 4 HE3 MET 4 -0.497 2.279 -11.356 37 H ASN 5 H ASN 5 -4.076 5.278 -6.109 38 HA ASN 5 HA ASN 5 -5.736 5.529 -8.423 39 HB2 ASN 5 HB2 ASN 5 -6.903 4.073 -6.420 40 HB3 ASN 5 HB3 ASN 5 -7.452 5.703 -6.039 41 HD21 ASN 5 HD21 ASN 5 -9.107 6.513 -7.140 42 HD22 ASN 5 HD22 ASN 5 -9.814 5.803 -8.547 43 H ARG 6 H ARG 6 -7.499 7.440 -7.656 44 HA ARG 6 HA ARG 6 -5.740 9.571 -6.635 45 HB2 ARG 6 HB2 ARG 6 -8.122 9.854 -8.475 46 HB3 ARG 6 HB3 ARG 6 -7.022 11.134 -7.983 47 HG2 ARG 6 HG2 ARG 6 -5.828 10.708 -9.797 48 HG3 ARG 6 HG3 ARG 6 -5.397 9.151 -9.086 49 HD2 ARG 6 HD2 ARG 6 -6.876 8.001 -10.371 50 HD3 ARG 6 HD3 ARG 6 -8.033 9.331 -10.419 51 HE ARG 6 HE ARG 6 -7.021 10.108 -12.328 52 HH11 ARG 6 HH11 ARG 6 -5.003 7.693 -10.839 53 HH12 ARG 6 HH12 ARG 6 -3.915 7.585 -12.183 54 HH21 ARG 6 HH21 ARG 6 -5.595 9.976 -14.104 55 HH22 ARG 6 HH22 ARG 6 -4.252 8.885 -14.039 56 HA PRO 7 HA PRO 7 -9.077 9.096 -3.479 57 HB2 PRO 7 HB2 PRO 7 -7.438 9.546 -1.363 58 HB3 PRO 7 HB3 PRO 7 -7.646 7.951 -2.094 59 HG2 PRO 7 HG2 PRO 7 -5.451 9.946 -2.495 60 HG3 PRO 7 HG3 PRO 7 -5.341 8.189 -2.290 61 HD2 PRO 7 HD2 PRO 7 -5.180 9.385 -4.713 62 HD3 PRO 7 HD3 PRO 7 -5.885 7.771 -4.490 63 H ALA 8 H ALA 8 -10.304 10.784 -2.929 64 HA ALA 8 HA ALA 8 -9.019 13.424 -2.661 65 HB1 ALA 8 HB1 ALA 8 -10.782 12.739 -4.614 66 HB2 ALA 8 HB2 ALA 8 -11.856 13.424 -3.394 67 HB3 ALA 8 HB3 ALA 8 -10.518 14.381 -4.027 68 HA PRO 9 HA PRO 9 -10.876 12.614 1.429 69 HB2 PRO 9 HB2 PRO 9 -9.139 14.218 2.761 70 HB3 PRO 9 HB3 PRO 9 -8.761 12.548 2.322 71 HG2 PRO 9 HG2 PRO 9 -7.964 15.092 0.959 72 HG3 PRO 9 HG3 PRO 9 -6.989 13.649 1.293 73 HD2 PRO 9 HD2 PRO 9 -8.072 14.144 -1.139 74 HD3 PRO 9 HD3 PRO 9 -7.844 12.499 -0.512 75 H VAL 10 H VAL 10 -11.056 14.545 3.262 76 HA VAL 10 HA VAL 10 -12.286 16.843 1.887 77 HB VAL 10 HB VAL 10 -13.406 15.177 4.124 78 HG11 VAL 10 HG11 VAL 10 -14.129 18.013 3.407 79 HG12 VAL 10 HG12 VAL 10 -15.152 16.949 4.373 80 HG13 VAL 10 HG13 VAL 10 -13.555 17.411 4.961 81 HG21 VAL 10 HG21 VAL 10 -15.404 15.177 2.723 82 HG22 VAL 10 HG22 VAL 10 -14.594 16.219 1.553 83 HG23 VAL 10 HG23 VAL 10 -14.007 14.579 1.828 84 H GLU 11 H GLU 11 -11.323 18.672 2.444 85 HA GLU 11 HA GLU 11 -9.882 18.816 4.990 86 HB2 GLU 11 HB2 GLU 11 -8.444 19.479 3.279 87 HB3 GLU 11 HB3 GLU 11 -9.713 20.330 2.408 88 HG2 GLU 11 HG2 GLU 11 -9.715 22.091 4.066 89 HG3 GLU 11 HG3 GLU 11 -8.513 21.224 5.020 90 H VAL 12 H VAL 12 -10.638 19.944 6.654 91 HA VAL 12 HA VAL 12 -12.831 21.854 6.162 92 HB VAL 12 HB VAL 12 -13.727 20.058 7.426 93 HG11 VAL 12 HG11 VAL 12 -11.427 20.340 9.357 94 HG12 VAL 12 HG12 VAL 12 -12.728 19.149 9.422 95 HG13 VAL 12 HG13 VAL 12 -11.548 19.097 8.112 96 HG21 VAL 12 HG21 VAL 12 -14.530 21.156 9.338 97 HG22 VAL 12 HG22 VAL 12 -13.038 22.073 9.546 98 HG23 VAL 12 HG23 VAL 12 -14.130 22.455 8.214 99 H SER 13 H SER 13 -12.007 23.847 6.228 100 HA SER 13 HA SER 13 -9.855 24.477 8.096 101 HB2 SER 13 HB2 SER 13 -9.246 26.117 6.655 102 HB3 SER 13 HB3 SER 13 -10.270 25.249 5.511 103 HG SER 13 HG SER 13 -11.964 26.647 6.041 104 H TYR 14 H TYR 14 -10.233 25.383 9.999 105 HA TYR 14 HA TYR 14 -12.885 26.504 10.532 106 HB2 TYR 14 HB2 TYR 14 -11.295 24.777 11.991 107 HB3 TYR 14 HB3 TYR 14 -11.056 26.319 12.804 108 HD1 TYR 14 HD2 TYR 14 -14.006 24.633 11.235 109 HD2 TYR 14 HD1 TYR 14 -12.359 26.482 14.695 110 HE1 TYR 14 HE2 TYR 14 -16.150 24.342 12.404 111 HE2 TYR 14 HE1 TYR 14 -14.498 26.195 15.874 112 HH TYR 14 HH TYR 14 -17.330 25.609 14.429 113 H LYS 15 H LYS 15 -12.246 28.094 12.730 114 HA LYS 15 HA LYS 15 -11.791 30.569 11.616 115 HB2 LYS 15 HB2 LYS 15 -11.293 31.345 13.926 116 HB3 LYS 15 HB3 LYS 15 -12.742 30.353 13.822 117 HG2 LYS 15 HG2 LYS 15 -11.128 28.411 14.450 118 HG3 LYS 15 HG3 LYS 15 -10.095 29.716 15.037 119 HD2 LYS 15 HD2 LYS 15 -12.980 29.580 15.832 120 HD3 LYS 15 HD3 LYS 15 -11.771 28.602 16.668 121 HE2 LYS 15 HE2 LYS 15 -11.730 31.603 16.364 122 HE3 LYS 15 HE3 LYS 15 -12.156 30.716 17.827 123 HZ1 LYS 15 HZ1 LYS 15 -9.821 29.689 17.526 124 HZ2 LYS 15 HZ2 LYS 15 -9.959 31.241 18.184 125 HZ3 LYS 15 HZ3 LYS 15 -9.519 31.046 16.562 126 H HIS 16 H HIS 16 -9.419 28.554 13.352 127 HA HIS 16 HA HIS 16 -7.297 29.759 11.746 128 HB2 HIS 16 HB2 HIS 16 -7.457 31.045 13.884 129 HB3 HIS 16 HB3 HIS 16 -7.115 29.555 14.758 130 HD1 HIS 16 HD1 HIS 16 -5.475 31.742 12.115 131 HD2 HIS 16 HD2 HIS 16 -4.474 29.125 15.182 132 HE1 HIS 16 HE1 HIS 16 -2.967 31.827 12.279 133 H MET 17 H MET 17 -8.506 27.190 11.608 134 HA MET 17 HA MET 17 -6.130 25.559 12.003 135 HB2 MET 17 HB2 MET 17 -8.749 24.430 12.934 136 HB3 MET 17 HB3 MET 17 -7.117 23.891 13.307 137 HG2 MET 17 HG2 MET 17 -6.765 25.733 14.776 138 HG3 MET 17 HG3 MET 17 -8.272 26.493 14.271 139 HE1 MET 17 HE1 MET 17 -9.602 25.696 17.708 140 HE2 MET 17 HE2 MET 17 -8.371 26.722 16.971 141 HE3 MET 17 HE3 MET 17 -9.975 26.608 16.245 142 H ARG 18 H ARG 18 -6.620 23.251 11.094 143 HA ARG 18 HA ARG 18 -8.606 23.115 9.026 144 HB2 ARG 18 HB2 ARG 18 -6.560 24.519 8.169 145 HB3 ARG 18 HB3 ARG 18 -5.797 22.942 8.009 146 HG2 ARG 18 HG2 ARG 18 -7.292 22.245 6.373 147 HG3 ARG 18 HG3 ARG 18 -8.484 23.473 6.805 148 HD2 ARG 18 HD2 ARG 18 -5.818 23.939 5.474 149 HD3 ARG 18 HD3 ARG 18 -7.404 24.051 4.713 150 HE ARG 18 HE ARG 18 -7.315 25.799 6.909 151 HH11 ARG 18 HH11 ARG 18 -5.957 25.421 3.726 152 HH12 ARG 18 HH12 ARG 18 -5.747 27.121 3.471 153 HH21 ARG 18 HH21 ARG 18 -7.043 28.040 6.586 154 HH22 ARG 18 HH22 ARG 18 -6.365 28.610 5.099 155 H PHE 19 H PHE 19 -9.265 21.080 9.100 156 HA PHE 19 HA PHE 19 -7.289 18.980 9.706 157 HB2 PHE 19 HB2 PHE 19 -10.200 19.231 10.440 158 HB3 PHE 19 HB3 PHE 19 -9.369 17.679 10.475 159 HD1 PHE 19 HD1 PHE 19 -8.665 21.164 11.623 160 HD2 PHE 19 HD2 PHE 19 -8.687 17.010 12.550 161 HE1 PHE 19 HE1 PHE 19 -7.831 21.667 13.882 162 HE2 PHE 19 HE2 PHE 19 -7.854 17.507 14.811 163 HZ PHE 19 HZ PHE 19 -7.426 19.838 15.480 164 H LEU 20 H LEU 20 -8.007 16.775 8.867 165 HA LEU 20 HA LEU 20 -9.316 17.013 6.247 166 HB2 LEU 20 HB2 LEU 20 -6.562 16.427 6.765 167 HB3 LEU 20 HB3 LEU 20 -7.335 15.019 6.039 168 HG LEU 20 HG LEU 20 -6.358 16.291 4.284 169 HD11 LEU 20 HD11 LEU 20 -8.126 15.910 3.007 170 HD12 LEU 20 HD12 LEU 20 -8.925 17.351 3.635 171 HD13 LEU 20 HD13 LEU 20 -9.130 15.802 4.453 172 HD21 LEU 20 HD21 LEU 20 -7.906 18.690 5.250 173 HD22 LEU 20 HD22 LEU 20 -6.757 18.626 3.914 174 HD23 LEU 20 HD23 LEU 20 -6.194 18.414 5.572 175 H ILE 21 H ILE 21 -11.136 15.883 6.566 176 HA ILE 21 HA ILE 21 -11.138 13.471 8.174 177 HB ILE 21 HB ILE 21 -13.622 13.504 7.175 178 HG12 ILE 21 HG12 ILE 21 -12.777 15.624 5.848 179 HG13 ILE 21 HG13 ILE 21 -14.406 15.570 6.514 180 HG21 ILE 21 HG21 ILE 21 -12.994 13.585 9.538 181 HG22 ILE 21 HG22 ILE 21 -12.646 15.307 9.386 182 HG23 ILE 21 HG23 ILE 21 -14.296 14.719 9.177 183 HD11 ILE 21 HD11 ILE 21 -13.872 17.024 8.246 184 HD12 ILE 21 HD12 ILE 21 -12.138 16.761 8.059 185 HD13 ILE 21 HD13 ILE 21 -13.025 17.691 6.852 186 H THR 22 H THR 22 -10.786 11.511 7.390 187 HA THR 22 HA THR 22 -11.116 11.071 4.495 188 HB THR 22 HB THR 22 -9.572 9.053 4.969 189 HG1 THR 22 HG1 THR 22 -9.799 9.619 7.369 190 HG21 THR 22 HG21 THR 22 -7.585 10.407 4.635 191 HG22 THR 22 HG22 THR 22 -8.437 11.842 5.204 192 HG23 THR 22 HG23 THR 22 -8.922 11.069 3.696 193 H HIS 23 H HIS 23 -12.178 9.245 3.759 194 HA HIS 23 HA HIS 23 -13.074 7.144 5.436 195 HB2 HIS 23 HB2 HIS 23 -14.581 8.916 6.264 196 HB3 HIS 23 HB3 HIS 23 -15.174 9.166 4.624 197 HD1 HIS 23 HD1 HIS 23 -17.523 8.352 4.761 198 HD2 HIS 23 HD2 HIS 23 -14.835 5.680 6.462 199 HE1 HIS 23 HE1 HIS 23 -18.875 6.310 5.331 200 H ASN 24 H ASN 24 -14.021 9.019 2.559 201 HA ASN 24 HA ASN 24 -15.106 6.910 1.092 202 HB2 ASN 24 HB2 ASN 24 -14.198 9.638 0.549 203 HB3 ASN 24 HB3 ASN 24 -14.004 8.560 -0.830 204 HD21 ASN 24 HD21 ASN 24 -15.824 10.821 -0.392 205 HD22 ASN 24 HD22 ASN 24 -17.415 10.194 -0.641 206 HA PRO 25 HA PRO 25 -10.799 6.300 -1.000 207 HB2 PRO 25 HB2 PRO 25 -8.685 7.624 0.072 208 HB3 PRO 25 HB3 PRO 25 -9.702 8.309 -1.202 209 HG2 PRO 25 HG2 PRO 25 -9.778 8.796 1.751 210 HG3 PRO 25 HG3 PRO 25 -9.916 9.960 0.421 211 HD2 PRO 25 HD2 PRO 25 -12.070 9.034 1.776 212 HD3 PRO 25 HD3 PRO 25 -12.139 9.471 0.057 213 H THR 26 H THR 26 -10.316 7.050 2.455 214 HA THR 26 HA THR 26 -9.551 5.802 4.198 215 HB THR 26 HB THR 26 -9.899 3.176 2.921 216 HG1 THR 26 HG1 THR 26 -12.311 3.595 3.135 217 HG21 THR 26 HG21 THR 26 -10.622 4.556 5.460 218 HG22 THR 26 HG22 THR 26 -9.800 3.017 5.207 219 HG23 THR 26 HG23 THR 26 -11.546 3.131 4.988 220 H ASN 27 H ASN 27 -8.021 3.803 4.688 221 HA ASN 27 HA ASN 27 -5.714 4.084 2.879 222 HB2 ASN 27 HB2 ASN 27 -4.327 3.518 4.874 223 HB3 ASN 27 HB3 ASN 27 -5.240 5.013 5.059 224 HD21 ASN 27 HD21 ASN 27 -4.309 2.311 6.609 225 HD22 ASN 27 HD22 ASN 27 -5.572 2.181 7.781 226 H ALA 28 H ALA 28 -6.629 2.340 1.588 227 HA ALA 28 HA ALA 28 -6.780 -0.297 2.764 228 HB1 ALA 28 HB1 ALA 28 -7.869 -0.923 0.890 229 HB2 ALA 28 HB2 ALA 28 -8.070 0.817 0.684 230 HB3 ALA 28 HB3 ALA 28 -6.781 -0.029 -0.172 231 H THR 29 H THR 29 -4.429 1.643 1.160 232 HA THR 29 HA THR 29 -2.626 -0.685 1.002 233 HB THR 29 HB THR 29 -2.865 -0.095 -1.237 234 HG1 THR 29 HG1 THR 29 -0.615 0.066 -0.362 235 HG21 THR 29 HG21 THR 29 -4.189 1.932 -0.908 236 HG22 THR 29 HG22 THR 29 -2.893 2.216 -2.069 237 HG23 THR 29 HG23 THR 29 -2.741 2.809 -0.416 238 H LEU 30 H LEU 30 -3.180 2.457 2.236 239 HA LEU 30 HA LEU 30 -2.044 3.647 3.822 240 HB2 LEU 30 HB2 LEU 30 -1.199 1.238 4.394 241 HB3 LEU 30 HB3 LEU 30 0.300 1.805 3.661 242 HG LEU 30 HG LEU 30 0.409 3.616 5.320 243 HD11 LEU 30 HD11 LEU 30 -1.494 2.540 7.191 244 HD12 LEU 30 HD12 LEU 30 -2.293 3.034 5.699 245 HD13 LEU 30 HD13 LEU 30 -1.311 4.191 6.597 246 HD21 LEU 30 HD21 LEU 30 1.708 1.906 6.072 247 HD22 LEU 30 HD22 LEU 30 0.379 0.745 6.072 248 HD23 LEU 30 HD23 LEU 30 0.514 1.933 7.370 249 H SER 31 H SER 31 0.303 2.270 1.513 250 HA SER 31 HA SER 31 2.134 4.266 1.365 251 HB2 SER 31 HB2 SER 31 1.109 2.275 -0.564 252 HB3 SER 31 HB3 SER 31 1.972 3.640 -1.273 253 HG SER 31 HG SER 31 3.614 2.369 -0.793 254 H THR 32 H THR 32 -0.910 4.147 -0.468 255 HA THR 32 HA THR 32 -0.517 6.734 -1.634 256 HB THR 32 HB THR 32 -2.965 4.968 -1.493 257 HG1 THR 32 HG1 THR 32 -2.235 4.174 -3.333 258 HG21 THR 32 HG21 THR 32 -2.527 7.513 -3.061 259 HG22 THR 32 HG22 THR 32 -3.643 7.302 -1.712 260 HG23 THR 32 HG23 THR 32 -3.912 6.435 -3.224 261 H PHE 33 H PHE 33 -2.420 5.448 1.055 262 HA PHE 33 HA PHE 33 -3.981 7.614 1.697 263 HB2 PHE 33 HB2 PHE 33 -4.430 5.794 3.035 264 HB3 PHE 33 HB3 PHE 33 -2.727 5.434 3.300 265 HD1 PHE 33 HD1 PHE 33 -5.073 8.255 4.002 266 HD2 PHE 33 HD2 PHE 33 -1.997 5.694 5.449 267 HE1 PHE 33 HE1 PHE 33 -5.185 9.366 6.194 268 HE2 PHE 33 HE2 PHE 33 -2.105 6.800 7.645 269 HZ PHE 33 HZ PHE 33 -3.700 8.638 8.020 270 H ILE 34 H ILE 34 -0.659 6.984 2.806 271 HA ILE 34 HA ILE 34 -0.353 9.297 4.348 272 HB ILE 34 HB ILE 34 1.829 7.886 2.811 273 HG12 ILE 34 HG12 ILE 34 0.490 6.315 4.175 274 HG13 ILE 34 HG13 ILE 34 2.130 6.493 4.788 275 HG21 ILE 34 HG21 ILE 34 2.935 9.685 3.631 276 HG22 ILE 34 HG22 ILE 34 1.767 9.951 4.925 277 HG23 ILE 34 HG23 ILE 34 2.986 8.687 5.084 278 HD11 ILE 34 HD11 ILE 34 -0.394 7.660 5.917 279 HD12 ILE 34 HD12 ILE 34 0.685 6.476 6.655 280 HD13 ILE 34 HD13 ILE 34 1.218 8.144 6.442 281 H GLU 35 H GLU 35 0.157 8.725 0.905 282 HA GLU 35 HA GLU 35 1.386 11.207 0.331 283 HB2 GLU 35 HB2 GLU 35 -0.286 9.596 -1.593 284 HB3 GLU 35 HB3 GLU 35 1.047 10.679 -1.968 285 HG2 GLU 35 HG2 GLU 35 2.037 8.702 -0.210 286 HG3 GLU 35 HG3 GLU 35 1.102 7.884 -1.462 287 H ASP 36 H ASP 36 -1.960 10.166 0.517 288 HA ASP 36 HA ASP 36 -3.145 12.403 -0.714 289 HB2 ASP 36 HB2 ASP 36 -4.413 10.827 1.520 290 HB3 ASP 36 HB3 ASP 36 -5.203 11.627 0.165 291 H LEU 37 H LEU 37 -2.513 11.696 2.714 292 HA LEU 37 HA LEU 37 -3.461 14.248 3.597 293 HB2 LEU 37 HB2 LEU 37 -2.561 13.581 5.777 294 HB3 LEU 37 HB3 LEU 37 -3.589 12.340 5.064 295 HG LEU 37 HG LEU 37 -1.319 11.321 4.268 296 HD11 LEU 37 HD11 LEU 37 -0.501 13.421 6.164 297 HD12 LEU 37 HD12 LEU 37 0.392 12.668 4.844 298 HD13 LEU 37 HD13 LEU 37 0.245 11.839 6.393 299 HD21 LEU 37 HD21 LEU 37 -2.924 11.051 6.645 300 HD22 LEU 37 HD22 LEU 37 -1.240 10.641 6.974 301 HD23 LEU 37 HD23 LEU 37 -2.116 9.809 5.688 302 H LYS 38 H LYS 38 -0.460 13.010 2.443 303 HA LYS 38 HA LYS 38 1.170 15.084 3.604 304 HB2 LYS 38 HB2 LYS 38 1.616 12.775 1.775 305 HB3 LYS 38 HB3 LYS 38 2.784 14.089 1.732 306 HG2 LYS 38 HG2 LYS 38 2.749 13.768 4.341 307 HG3 LYS 38 HG3 LYS 38 2.182 12.154 3.905 308 HD2 LYS 38 HD2 LYS 38 4.704 13.458 2.882 309 HD3 LYS 38 HD3 LYS 38 4.627 12.243 4.160 310 HE2 LYS 38 HE2 LYS 38 4.923 10.756 2.513 311 HE3 LYS 38 HE3 LYS 38 3.226 11.048 2.136 312 HZ1 LYS 38 HZ1 LYS 38 5.628 12.021 0.768 313 HZ2 LYS 38 HZ2 LYS 38 4.248 12.998 0.749 314 HZ3 LYS 38 HZ3 LYS 38 4.183 11.430 0.117 315 H LYS 39 H LYS 39 -0.271 14.397 0.453 316 HA LYS 39 HA LYS 39 0.924 16.595 -0.895 317 HB2 LYS 39 HB2 LYS 39 -0.611 16.111 -2.691 318 HB3 LYS 39 HB3 LYS 39 -0.010 14.593 -2.038 319 HG2 LYS 39 HG2 LYS 39 -2.079 14.309 -0.776 320 HG3 LYS 39 HG3 LYS 39 -2.683 15.837 -1.423 321 HD2 LYS 39 HD2 LYS 39 -1.829 13.570 -3.204 322 HD3 LYS 39 HD3 LYS 39 -3.469 13.695 -2.565 323 HE2 LYS 39 HE2 LYS 39 -2.097 15.863 -4.146 324 HE3 LYS 39 HE3 LYS 39 -3.169 14.655 -4.852 325 HZ1 LYS 39 HZ1 LYS 39 -4.366 16.684 -4.404 326 HZ2 LYS 39 HZ2 LYS 39 -3.908 16.646 -2.776 327 HZ3 LYS 39 HZ3 LYS 39 -4.940 15.456 -3.392 328 H TYR 40 H TYR 40 -2.119 16.139 0.825 329 HA TYR 40 HA TYR 40 -3.288 18.609 0.091 330 HB2 TYR 40 HB2 TYR 40 -3.830 16.483 2.074 331 HB3 TYR 40 HB3 TYR 40 -4.465 18.076 2.470 332 HD1 TYR 40 HD2 TYR 40 -4.320 15.705 -0.417 333 HD2 TYR 40 HD1 TYR 40 -6.575 18.621 1.708 334 HE1 TYR 40 HE2 TYR 40 -6.232 15.306 -1.911 335 HE2 TYR 40 HE1 TYR 40 -8.494 18.229 0.220 336 HH TYR 40 HH TYR 40 -8.925 17.364 -2.040 337 H GLY 41 H GLY 41 -0.671 17.895 2.087 338 HA2 GLY 41 HA2 GLY 41 0.717 19.459 3.133 339 HA3 GLY 41 HA3 GLY 41 -0.567 20.652 3.003 340 H ALA 42 H ALA 42 -1.073 17.466 4.356 341 HA ALA 42 HA ALA 42 -1.615 18.731 6.952 342 HB1 ALA 42 HB1 ALA 42 -3.431 17.446 5.749 343 HB2 ALA 42 HB2 ALA 42 -2.500 15.988 6.094 344 HB3 ALA 42 HB3 ALA 42 -3.120 16.973 7.419 345 H THR 43 H THR 43 -0.097 18.517 8.446 346 HA THR 43 HA THR 43 1.879 16.391 8.237 347 HB THR 43 HB THR 43 3.169 17.569 9.849 348 HG1 THR 43 HG1 THR 43 0.940 19.286 10.301 349 HG21 THR 43 HG21 THR 43 3.450 19.726 8.842 350 HG22 THR 43 HG22 THR 43 1.802 19.704 8.212 351 HG23 THR 43 HG23 THR 43 3.009 18.590 7.568 352 H THR 44 H THR 44 -0.738 15.536 8.890 353 HA THR 44 HA THR 44 -0.175 14.215 11.419 354 HB THR 44 HB THR 44 -2.928 14.887 11.561 355 HG1 THR 44 HG1 THR 44 -1.290 17.210 11.413 356 HG21 THR 44 HG21 THR 44 -0.829 16.168 13.268 357 HG22 THR 44 HG22 THR 44 -1.078 14.424 13.340 358 HG23 THR 44 HG23 THR 44 -2.403 15.520 13.727 359 H VAL 45 H VAL 45 -0.974 12.173 11.516 360 HA VAL 45 HA VAL 45 -2.180 11.121 9.096 361 HB VAL 45 HB VAL 45 -1.652 9.438 11.511 362 HG11 VAL 45 HG11 VAL 45 -1.824 9.084 8.566 363 HG12 VAL 45 HG12 VAL 45 -0.763 8.006 9.474 364 HG13 VAL 45 HG13 VAL 45 -2.481 8.090 9.865 365 HG21 VAL 45 HG21 VAL 45 0.699 9.182 10.778 366 HG22 VAL 45 HG22 VAL 45 0.459 10.509 9.641 367 HG23 VAL 45 HG23 VAL 45 0.334 10.801 11.376 368 H VAL 46 H VAL 46 -4.184 10.194 8.924 369 HA VAL 46 HA VAL 46 -6.185 11.093 10.761 370 HB VAL 46 HB VAL 46 -7.785 10.253 9.270 371 HG11 VAL 46 HG11 VAL 46 -5.310 11.112 7.804 372 HG12 VAL 46 HG12 VAL 46 -6.832 10.805 6.966 373 HG13 VAL 46 HG13 VAL 46 -6.741 12.062 8.202 374 HG21 VAL 46 HG21 VAL 46 -7.517 8.075 8.782 375 HG22 VAL 46 HG22 VAL 46 -6.697 8.682 7.343 376 HG23 VAL 46 HG23 VAL 46 -5.757 8.192 8.753 377 H ARG 47 H ARG 47 -4.306 9.401 12.035 378 HA ARG 47 HA ARG 47 -5.284 6.751 12.309 379 HB2 ARG 47 HB2 ARG 47 -3.360 8.468 13.829 380 HB3 ARG 47 HB3 ARG 47 -3.911 6.957 14.541 381 HG2 ARG 47 HG2 ARG 47 -3.035 5.700 12.696 382 HG3 ARG 47 HG3 ARG 47 -2.628 7.181 11.828 383 HD2 ARG 47 HD2 ARG 47 -0.957 7.750 13.431 384 HD3 ARG 47 HD3 ARG 47 -1.479 6.461 14.516 385 HE ARG 47 HE ARG 47 0.238 6.211 12.220 386 HH11 ARG 47 HH11 ARG 47 -1.928 4.556 14.385 387 HH12 ARG 47 HH12 ARG 47 -1.240 2.994 14.089 388 HH21 ARG 47 HH21 ARG 47 1.154 4.160 11.822 389 HH22 ARG 47 HH22 ARG 47 0.514 2.770 12.632 390 H VAL 48 H VAL 48 -6.785 9.517 13.083 391 HA VAL 48 HA VAL 48 -7.686 9.125 15.727 392 HB VAL 48 HB VAL 48 -8.743 10.697 13.401 393 HG11 VAL 48 HG11 VAL 48 -10.364 11.639 15.216 394 HG12 VAL 48 HG12 VAL 48 -10.794 10.180 14.320 395 HG13 VAL 48 HG13 VAL 48 -10.147 10.053 15.956 396 HG21 VAL 48 HG21 VAL 48 -7.363 11.258 15.982 397 HG22 VAL 48 HG22 VAL 48 -7.035 11.890 14.369 398 HG23 VAL 48 HG23 VAL 48 -8.414 12.493 15.289 399 H CYS 49 H CYS 49 -8.214 6.903 15.883 400 HA CYS 49 HA CYS 49 -10.868 6.237 15.785 401 HB2 CYS 49 HB2 CYS 49 -11.143 4.840 13.827 402 HB3 CYS 49 HB3 CYS 49 -10.647 6.449 13.318 403 HG CYS 49 HG CYS 49 -8.045 5.768 12.722 404 H GLU 50 H GLU 50 -10.895 3.541 15.211 405 HA GLU 50 HA GLU 50 -9.439 2.501 17.450 406 HB2 GLU 50 HB2 GLU 50 -11.775 1.801 16.567 407 HB3 GLU 50 HB3 GLU 50 -10.876 0.806 15.429 408 HG2 GLU 50 HG2 GLU 50 -11.122 -0.732 17.051 409 HG3 GLU 50 HG3 GLU 50 -9.673 0.047 17.684 410 H VAL 51 H VAL 51 -7.408 3.335 16.151 411 HA VAL 51 HA VAL 51 -6.403 1.570 14.129 412 HB VAL 51 HB VAL 51 -4.256 2.800 14.459 413 HG11 VAL 51 HG11 VAL 51 -6.523 4.751 14.208 414 HG12 VAL 51 HG12 VAL 51 -4.975 4.740 13.362 415 HG13 VAL 51 HG13 VAL 51 -6.204 3.536 12.971 416 HG21 VAL 51 HG21 VAL 51 -5.312 4.953 16.035 417 HG22 VAL 51 HG22 VAL 51 -5.404 3.442 16.939 418 HG23 VAL 51 HG23 VAL 51 -3.857 3.990 16.294 419 H THR 52 H THR 52 -4.720 0.076 14.298 420 HA THR 52 HA THR 52 -3.682 -0.606 16.925 421 HB THR 52 HB THR 52 -4.367 -2.922 16.868 422 HG1 THR 52 HG1 THR 52 -5.292 -3.815 15.146 423 HG21 THR 52 HG21 THR 52 -6.784 -2.683 17.174 424 HG22 THR 52 HG22 THR 52 -6.737 -1.115 16.368 425 HG23 THR 52 HG23 THR 52 -5.917 -1.337 17.913 426 H TYR 53 H TYR 53 -2.410 0.436 14.643 427 HA TYR 53 HA TYR 53 -0.542 -1.748 14.085 428 HB2 TYR 53 HB2 TYR 53 -1.336 -1.912 11.987 429 HB3 TYR 53 HB3 TYR 53 -2.260 -0.421 12.130 430 HD1 TYR 53 HD1 TYR 53 1.007 -1.853 11.220 431 HD2 TYR 53 HD2 TYR 53 -1.388 1.662 11.320 432 HE1 TYR 53 HE1 TYR 53 2.617 -0.722 9.744 433 HE2 TYR 53 HE2 TYR 53 0.214 2.802 9.843 434 HH TYR 53 HH TYR 53 2.093 2.628 8.680 435 H ASP 54 H ASP 54 1.465 -1.138 14.517 436 HA ASP 54 HA ASP 54 2.238 1.299 15.504 437 HB2 ASP 54 HB2 ASP 54 3.693 -0.983 14.269 438 HB3 ASP 54 HB3 ASP 54 4.582 0.524 14.472 439 H LYS 55 H LYS 55 3.773 2.893 14.564 440 HA LYS 55 HA LYS 55 2.953 3.565 11.818 441 HB2 LYS 55 HB2 LYS 55 3.878 5.896 12.614 442 HB3 LYS 55 HB3 LYS 55 2.258 5.375 13.059 443 HG2 LYS 55 HG2 LYS 55 4.484 4.696 14.899 444 HG3 LYS 55 HG3 LYS 55 3.945 6.376 14.826 445 HD2 LYS 55 HD2 LYS 55 1.574 5.381 15.095 446 HD3 LYS 55 HD3 LYS 55 2.416 3.933 15.651 447 HE2 LYS 55 HE2 LYS 55 3.673 5.611 17.205 448 HE3 LYS 55 HE3 LYS 55 2.285 6.651 16.888 449 HZ1 LYS 55 HZ1 LYS 55 1.317 5.564 18.552 450 HZ2 LYS 55 HZ2 LYS 55 2.480 4.336 18.562 451 HZ3 LYS 55 HZ3 LYS 55 1.168 4.249 17.497 452 H THR 56 H THR 56 4.472 2.781 10.479 453 HA THR 56 HA THR 56 7.299 3.088 11.180 454 HB THR 56 HB THR 56 7.594 1.131 10.164 455 HG1 THR 56 HG1 THR 56 7.850 1.353 8.080 456 HG21 THR 56 HG21 THR 56 4.683 1.255 9.365 457 HG22 THR 56 HG22 THR 56 5.292 0.663 10.910 458 HG23 THR 56 HG23 THR 56 5.689 -0.191 9.420 459 HA PRO 57 HA PRO 57 7.077 5.184 6.832 460 HB2 PRO 57 HB2 PRO 57 4.612 5.594 5.771 461 HB3 PRO 57 HB3 PRO 57 5.545 4.119 5.492 462 HG2 PRO 57 HG2 PRO 57 3.314 4.611 7.426 463 HG3 PRO 57 HG3 PRO 57 3.601 3.206 6.383 464 HD2 PRO 57 HD2 PRO 57 4.223 3.215 9.018 465 HD3 PRO 57 HD3 PRO 57 5.159 2.300 7.819 466 H LEU 58 H LEU 58 3.828 6.113 7.935 467 HA LEU 58 HA LEU 58 4.123 8.833 7.721 468 HB2 LEU 58 HB2 LEU 58 2.231 9.066 9.144 469 HB3 LEU 58 HB3 LEU 58 2.011 7.604 8.184 470 HG LEU 58 HG LEU 58 1.240 7.152 10.391 471 HD11 LEU 58 HD11 LEU 58 3.968 5.918 10.378 472 HD12 LEU 58 HD12 LEU 58 2.766 5.485 9.162 473 HD13 LEU 58 HD13 LEU 58 2.427 5.214 10.872 474 HD21 LEU 58 HD21 LEU 58 3.806 7.565 11.758 475 HD22 LEU 58 HD22 LEU 58 2.162 7.904 12.297 476 HD23 LEU 58 HD23 LEU 58 2.994 9.039 11.233 477 H GLU 59 H GLU 59 5.560 6.748 10.020 478 HA GLU 59 HA GLU 59 5.960 8.668 12.097 479 HB2 GLU 59 HB2 GLU 59 6.032 6.405 12.768 480 HB3 GLU 59 HB3 GLU 59 7.161 5.977 11.490 481 HG2 GLU 59 HG2 GLU 59 8.274 5.997 13.633 482 HG3 GLU 59 HG3 GLU 59 8.909 7.275 12.599 483 H LYS 60 H LYS 60 8.243 7.158 9.807 484 HA LYS 60 HA LYS 60 10.346 8.967 10.373 485 HB2 LYS 60 HB2 LYS 60 9.986 7.341 7.853 486 HB3 LYS 60 HB3 LYS 60 11.494 7.964 8.510 487 HG2 LYS 60 HG2 LYS 60 9.766 5.788 9.661 488 HG3 LYS 60 HG3 LYS 60 11.381 5.627 8.966 489 HD2 LYS 60 HD2 LYS 60 12.322 6.944 10.770 490 HD3 LYS 60 HD3 LYS 60 10.712 7.223 11.439 491 HE2 LYS 60 HE2 LYS 60 10.626 4.591 11.444 492 HE3 LYS 60 HE3 LYS 60 12.382 4.754 11.453 493 HZ1 LYS 60 HZ1 LYS 60 11.877 6.406 13.382 494 HZ2 LYS 60 HZ2 LYS 60 11.921 4.742 13.677 495 HZ3 LYS 60 HZ3 LYS 60 10.435 5.531 13.506 496 H ASP 61 H ASP 61 7.540 9.219 8.444 497 HA ASP 61 HA ASP 61 8.531 11.132 6.562 498 HB2 ASP 61 HB2 ASP 61 6.040 9.754 7.080 499 HB3 ASP 61 HB3 ASP 61 5.754 11.462 6.761 500 H GLY 62 H GLY 62 8.059 11.345 9.811 501 HA2 GLY 62 HA2 GLY 62 8.100 13.152 11.237 502 HA3 GLY 62 HA3 GLY 62 8.294 14.184 9.828 503 H ILE 63 H ILE 63 5.596 12.007 10.047 504 HA ILE 63 HA ILE 63 3.807 14.321 10.214 505 HB ILE 63 HB ILE 63 3.268 11.473 9.368 506 HG12 ILE 63 HG12 ILE 63 2.962 13.906 7.643 507 HG13 ILE 63 HG13 ILE 63 4.559 13.206 7.883 508 HG21 ILE 63 HG21 ILE 63 1.317 12.394 10.480 509 HG22 ILE 63 HG22 ILE 63 1.398 13.836 9.468 510 HG23 ILE 63 HG23 ILE 63 1.030 12.270 8.744 511 HD11 ILE 63 HD11 ILE 63 3.210 10.996 7.226 512 HD12 ILE 63 HD12 ILE 63 2.255 12.195 6.354 513 HD13 ILE 63 HD13 ILE 63 3.984 12.049 6.042 514 H THR 64 H THR 64 2.578 14.707 11.942 515 HA THR 64 HA THR 64 2.935 13.354 14.367 516 HB THR 64 HB THR 64 0.838 15.306 13.441 517 HG1 THR 64 HG1 THR 64 2.908 15.488 15.396 518 HG21 THR 64 HG21 THR 64 1.087 14.009 16.156 519 HG22 THR 64 HG22 THR 64 -0.291 13.925 15.058 520 HG23 THR 64 HG23 THR 64 0.133 15.454 15.827 521 H VAL 65 H VAL 65 2.150 11.493 15.085 522 HA VAL 65 HA VAL 65 0.127 10.080 13.586 523 HB VAL 65 HB VAL 65 1.713 8.581 14.312 524 HG11 VAL 65 HG11 VAL 65 3.144 9.808 15.652 525 HG12 VAL 65 HG12 VAL 65 1.862 10.280 16.768 526 HG13 VAL 65 HG13 VAL 65 2.488 8.631 16.789 527 HG21 VAL 65 HG21 VAL 65 -0.772 8.281 15.341 528 HG22 VAL 65 HG22 VAL 65 0.507 7.074 15.474 529 HG23 VAL 65 HG23 VAL 65 0.205 8.188 16.807 530 H VAL 66 H VAL 66 -1.925 10.695 13.864 531 HA VAL 66 HA VAL 66 -2.856 11.399 16.557 532 HB VAL 66 HB VAL 66 -4.423 11.719 14.005 533 HG11 VAL 66 HG11 VAL 66 -5.785 13.189 15.223 534 HG12 VAL 66 HG12 VAL 66 -5.497 11.837 16.319 535 HG13 VAL 66 HG13 VAL 66 -4.604 13.345 16.523 536 HG21 VAL 66 HG21 VAL 66 -2.292 12.892 13.746 537 HG22 VAL 66 HG22 VAL 66 -3.633 14.027 13.901 538 HG23 VAL 66 HG23 VAL 66 -2.566 13.731 15.273 539 H ASP 67 H ASP 67 -3.014 9.281 17.379 540 HA ASP 67 HA ASP 67 -5.092 7.604 16.139 541 HB2 ASP 67 HB2 ASP 67 -4.030 5.838 17.750 542 HB3 ASP 67 HB3 ASP 67 -3.218 6.241 16.240 543 H TRP 68 H TRP 68 -7.002 7.982 17.058 544 HA TRP 68 HA TRP 68 -7.223 7.739 19.955 545 HB2 TRP 68 HB2 TRP 68 -8.498 10.057 18.491 546 HB3 TRP 68 HB3 TRP 68 -8.519 9.750 20.226 547 HD1 TRP 68 HD1 TRP 68 -6.838 11.874 17.831 548 HE1 TRP 68 HE1 TRP 68 -4.610 12.774 18.753 549 HE3 TRP 68 HE3 TRP 68 -6.260 8.701 21.798 550 HZ2 TRP 68 HZ2 TRP 68 -2.841 12.212 20.879 551 HZ3 TRP 68 HZ3 TRP 68 -4.272 8.948 23.226 552 HH2 TRP 68 HH2 TRP 68 -2.598 10.668 22.774 553 HA PRO 69 HA PRO 69 -10.570 5.235 18.393 554 HB2 PRO 69 HB2 PRO 69 -11.337 4.278 20.815 555 HB3 PRO 69 HB3 PRO 69 -9.923 3.670 19.945 556 HG2 PRO 69 HG2 PRO 69 -10.060 5.646 22.189 557 HG3 PRO 69 HG3 PRO 69 -8.924 4.306 21.946 558 HD2 PRO 69 HD2 PRO 69 -8.289 6.876 21.376 559 HD3 PRO 69 HD3 PRO 69 -7.633 5.504 20.459 560 H PHE 70 H PHE 70 -11.469 7.569 18.022 561 HA PHE 70 HA PHE 70 -13.979 7.716 19.502 562 HB2 PHE 70 HB2 PHE 70 -13.791 9.968 20.119 563 HB3 PHE 70 HB3 PHE 70 -12.200 9.309 20.485 564 HD1 PHE 70 HD2 PHE 70 -14.119 11.390 18.137 565 HD2 PHE 70 HD1 PHE 70 -10.260 10.047 19.328 566 HE1 PHE 70 HE2 PHE 70 -13.086 13.115 16.720 567 HE2 PHE 70 HE1 PHE 70 -9.220 11.770 17.913 568 HZ PHE 70 HZ PHE 70 -10.633 13.306 16.605 569 H ASP 71 H ASP 71 -12.675 7.259 16.684 570 HA ASP 71 HA ASP 71 -13.874 9.242 15.018 571 HB2 ASP 71 HB2 ASP 71 -12.794 8.204 13.317 572 HB3 ASP 71 HB3 ASP 71 -11.941 7.382 14.620 573 H ASP 72 H ASP 72 -15.189 6.775 16.811 574 HA ASP 72 HA ASP 72 -17.570 6.686 15.079 575 HB2 ASP 72 HB2 ASP 72 -17.984 4.383 15.951 576 HB3 ASP 72 HB3 ASP 72 -16.530 4.513 14.965 577 H GLY 73 H GLY 73 -16.309 6.494 18.381 578 HA2 GLY 73 HA2 GLY 73 -18.333 8.129 19.455 579 HA3 GLY 73 HA3 GLY 73 -18.759 6.448 19.741 580 H ALA 74 H ALA 74 -15.924 5.650 19.962 581 HA ALA 74 HA ALA 74 -14.282 5.447 21.531 582 HB1 ALA 74 HB1 ALA 74 -14.598 8.123 21.331 583 HB2 ALA 74 HB2 ALA 74 -14.967 7.878 23.039 584 HB3 ALA 74 HB3 ALA 74 -13.419 7.342 22.385 585 HA PRO 75 HA PRO 75 -16.772 3.483 24.654 586 HB2 PRO 75 HB2 PRO 75 -14.739 2.112 25.819 587 HB3 PRO 75 HB3 PRO 75 -15.477 1.620 24.290 588 HG2 PRO 75 HG2 PRO 75 -12.937 3.131 24.769 589 HG3 PRO 75 HG3 PRO 75 -13.257 1.814 23.626 590 HD2 PRO 75 HD2 PRO 75 -13.200 4.415 22.874 591 HD3 PRO 75 HD3 PRO 75 -14.253 3.218 22.093 592 HA PRO 76 HA PRO 76 -13.999 5.593 28.088 593 HB2 PRO 76 HB2 PRO 76 -12.696 7.799 27.191 594 HB3 PRO 76 HB3 PRO 76 -11.966 6.190 27.200 595 HG2 PRO 76 HG2 PRO 76 -13.243 7.678 24.938 596 HG3 PRO 76 HG3 PRO 76 -11.750 6.720 24.947 597 HD2 PRO 76 HD2 PRO 76 -14.095 5.756 23.994 598 HD3 PRO 76 HD3 PRO 76 -12.884 4.720 24.777 599 HA PRO 77 HA PRO 77 -17.355 8.429 28.633 600 HB2 PRO 77 HB2 PRO 77 -16.710 9.284 31.128 601 HB3 PRO 77 HB3 PRO 77 -17.413 7.693 30.809 602 HG2 PRO 77 HG2 PRO 77 -14.552 8.441 31.276 603 HG3 PRO 77 HG3 PRO 77 -15.466 7.062 31.914 604 HD2 PRO 77 HD2 PRO 77 -13.768 6.839 29.817 605 HD3 PRO 77 HD3 PRO 77 -15.231 5.846 29.970 606 H GLY 78 H GLY 78 -16.532 9.884 26.959 607 HA2 GLY 78 HA2 GLY 78 -15.746 11.904 26.193 608 HA3 GLY 78 HA3 GLY 78 -16.266 12.505 27.760 609 H LYS 79 H LYS 79 -13.728 10.124 27.286 610 HA LYS 79 HA LYS 79 -11.871 11.839 28.706 611 HB2 LYS 79 HB2 LYS 79 -12.265 9.150 28.731 612 HB3 LYS 79 HB3 LYS 79 -10.909 9.269 27.619 613 HG2 LYS 79 HG2 LYS 79 -9.795 9.054 29.593 614 HG3 LYS 79 HG3 LYS 79 -9.920 10.813 29.503 615 HD2 LYS 79 HD2 LYS 79 -11.864 10.772 30.959 616 HD3 LYS 79 HD3 LYS 79 -11.822 9.008 30.999 617 HE2 LYS 79 HE2 LYS 79 -9.812 8.983 32.228 618 HE3 LYS 79 HE3 LYS 79 -9.495 10.685 31.895 619 HZ1 LYS 79 HZ1 LYS 79 -10.995 9.515 34.011 620 HZ2 LYS 79 HZ2 LYS 79 -11.928 10.643 33.163 621 HZ3 LYS 79 HZ3 LYS 79 -10.448 11.107 33.838 622 H VAL 80 H VAL 80 -12.392 10.627 25.469 623 HA VAL 80 HA VAL 80 -9.931 11.072 24.292 624 HB VAL 80 HB VAL 80 -12.623 11.610 23.031 625 HG11 VAL 80 HG11 VAL 80 -10.584 10.540 21.296 626 HG12 VAL 80 HG12 VAL 80 -11.560 11.999 21.116 627 HG13 VAL 80 HG13 VAL 80 -10.055 12.051 22.035 628 HG21 VAL 80 HG21 VAL 80 -11.447 9.104 22.301 629 HG22 VAL 80 HG22 VAL 80 -11.578 9.207 24.056 630 HG23 VAL 80 HG23 VAL 80 -13.011 9.422 23.051 631 H VAL 81 H VAL 81 -12.327 13.371 25.331 632 HA VAL 81 HA VAL 81 -11.852 15.625 23.904 633 HB VAL 81 HB VAL 81 -12.427 16.946 25.825 634 HG11 VAL 81 HG11 VAL 81 -14.471 16.147 25.454 635 HG12 VAL 81 HG12 VAL 81 -13.853 14.526 25.132 636 HG13 VAL 81 HG13 VAL 81 -14.190 15.029 26.789 637 HG21 VAL 81 HG21 VAL 81 -12.605 15.770 28.083 638 HG22 VAL 81 HG22 VAL 81 -11.561 14.530 27.388 639 HG23 VAL 81 HG23 VAL 81 -10.988 16.192 27.521 640 H GLU 82 H GLU 82 -9.828 14.388 26.541 641 HA GLU 82 HA GLU 82 -8.014 16.445 26.787 642 HB2 GLU 82 HB2 GLU 82 -7.986 13.548 27.301 643 HB3 GLU 82 HB3 GLU 82 -6.397 14.263 27.071 644 HG2 GLU 82 HG2 GLU 82 -8.281 15.627 28.911 645 HG3 GLU 82 HG3 GLU 82 -7.538 14.120 29.444 646 H ASP 83 H ASP 83 -7.825 13.679 24.556 647 HA ASP 83 HA ASP 83 -5.443 14.527 23.286 648 HB2 ASP 83 HB2 ASP 83 -7.616 12.731 22.185 649 HB3 ASP 83 HB3 ASP 83 -5.958 12.842 21.599 650 H TRP 84 H TRP 84 -8.823 15.235 22.764 651 HA TRP 84 HA TRP 84 -8.832 16.196 20.182 652 HB2 TRP 84 HB2 TRP 84 -10.620 16.184 22.282 653 HB3 TRP 84 HB3 TRP 84 -10.342 17.903 22.020 654 HD1 TRP 84 HD1 TRP 84 -12.786 15.544 21.093 655 HE1 TRP 84 HE1 TRP 84 -13.847 16.026 18.798 656 HE3 TRP 84 HE3 TRP 84 -9.279 18.769 19.239 657 HZ2 TRP 84 HZ2 TRP 84 -13.273 17.569 16.505 658 HZ3 TRP 84 HZ3 TRP 84 -9.610 19.703 16.987 659 HH2 TRP 84 HH2 TRP 84 -11.566 19.114 15.649 660 H LEU 85 H LEU 85 -8.491 18.275 23.065 661 HA LEU 85 HA LEU 85 -7.642 20.540 21.634 662 HB2 LEU 85 HB2 LEU 85 -7.008 19.885 24.505 663 HB3 LEU 85 HB3 LEU 85 -7.056 21.483 23.763 664 HG LEU 85 HG LEU 85 -9.065 21.551 24.795 665 HD11 LEU 85 HD11 LEU 85 -9.366 21.386 22.231 666 HD12 LEU 85 HD12 LEU 85 -10.786 21.283 23.271 667 HD13 LEU 85 HD13 LEU 85 -10.088 19.816 22.584 668 HD21 LEU 85 HD21 LEU 85 -8.654 18.689 24.987 669 HD22 LEU 85 HD22 LEU 85 -10.345 19.095 24.693 670 HD23 LEU 85 HD23 LEU 85 -9.500 19.785 26.080 671 H SER 86 H SER 86 -5.811 18.039 23.359 672 HA SER 86 HA SER 86 -3.262 19.070 23.145 673 HB2 SER 86 HB2 SER 86 -4.309 16.252 23.158 674 HB3 SER 86 HB3 SER 86 -2.582 16.565 22.986 675 HG SER 86 HG SER 86 -2.791 16.483 25.120 676 H LEU 87 H LEU 87 -4.721 16.726 20.882 677 HA LEU 87 HA LEU 87 -2.741 16.737 18.963 678 HB2 LEU 87 HB2 LEU 87 -4.316 15.127 18.579 679 HB3 LEU 87 HB3 LEU 87 -5.662 16.206 18.938 680 HG LEU 87 HG LEU 87 -5.176 17.323 16.712 681 HD11 LEU 87 HD11 LEU 87 -3.092 16.693 16.013 682 HD12 LEU 87 HD12 LEU 87 -4.082 15.524 15.139 683 HD13 LEU 87 HD13 LEU 87 -3.261 15.047 16.625 684 HD21 LEU 87 HD21 LEU 87 -7.081 16.114 16.544 685 HD22 LEU 87 HD22 LEU 87 -6.340 14.648 17.186 686 HD23 LEU 87 HD23 LEU 87 -6.071 15.108 15.505 687 H VAL 88 H VAL 88 -5.775 18.605 18.732 688 HA VAL 88 HA VAL 88 -5.086 20.164 16.552 689 HB VAL 88 HB VAL 88 -7.353 20.035 17.626 690 HG11 VAL 88 HG11 VAL 88 -7.845 21.683 19.403 691 HG12 VAL 88 HG12 VAL 88 -6.739 20.414 19.929 692 HG13 VAL 88 HG13 VAL 88 -6.119 22.017 19.534 693 HG21 VAL 88 HG21 VAL 88 -7.992 22.294 17.006 694 HG22 VAL 88 HG22 VAL 88 -6.311 22.818 17.102 695 HG23 VAL 88 HG23 VAL 88 -6.804 21.663 15.865 696 H LYS 89 H LYS 89 -3.962 20.353 19.802 697 HA LYS 89 HA LYS 89 -2.986 23.073 19.543 698 HB2 LYS 89 HB2 LYS 89 -3.026 21.022 21.718 699 HB3 LYS 89 HB3 LYS 89 -1.865 22.339 21.816 700 HG2 LYS 89 HG2 LYS 89 -3.488 23.935 22.104 701 HG3 LYS 89 HG3 LYS 89 -4.731 22.970 21.304 702 HD2 LYS 89 HD2 LYS 89 -5.422 22.681 23.448 703 HD3 LYS 89 HD3 LYS 89 -4.240 21.371 23.386 704 HE2 LYS 89 HE2 LYS 89 -3.159 24.006 24.121 705 HE3 LYS 89 HE3 LYS 89 -4.289 23.310 25.281 706 HZ1 LYS 89 HZ1 LYS 89 -1.812 22.036 24.252 707 HZ2 LYS 89 HZ2 LYS 89 -2.924 21.283 25.280 708 HZ3 LYS 89 HZ3 LYS 89 -2.061 22.636 25.814 709 H ALA 90 H ALA 90 -1.848 19.849 19.069 710 HA ALA 90 HA ALA 90 0.953 20.629 19.096 711 HB1 ALA 90 HB1 ALA 90 1.462 18.331 18.823 712 HB2 ALA 90 HB2 ALA 90 0.125 18.416 19.971 713 HB3 ALA 90 HB3 ALA 90 -0.179 17.958 18.295 714 H LYS 91 H LYS 91 -1.230 19.083 16.730 715 HA LYS 91 HA LYS 91 0.336 19.157 14.499 716 HB2 LYS 91 HB2 LYS 91 -1.900 19.590 13.251 717 HB3 LYS 91 HB3 LYS 91 -1.720 18.118 14.197 718 HG2 LYS 91 HG2 LYS 91 -3.581 18.647 15.267 719 HG3 LYS 91 HG3 LYS 91 -2.736 20.030 15.967 720 HD2 LYS 91 HD2 LYS 91 -3.774 20.351 13.213 721 HD3 LYS 91 HD3 LYS 91 -4.969 20.270 14.509 722 HE2 LYS 91 HE2 LYS 91 -3.162 21.987 15.576 723 HE3 LYS 91 HE3 LYS 91 -3.009 22.367 13.861 724 HZ1 LYS 91 HZ1 LYS 91 -4.834 23.580 14.056 725 HZ2 LYS 91 HZ2 LYS 91 -5.065 23.089 15.658 726 HZ3 LYS 91 HZ3 LYS 91 -5.721 22.179 14.392 727 H PHE 92 H PHE 92 -1.410 21.830 15.965 728 HA PHE 92 HA PHE 92 -0.724 23.646 13.814 729 HB2 PHE 92 HB2 PHE 92 -2.748 24.325 14.632 730 HB3 PHE 92 HB3 PHE 92 -2.396 23.765 16.264 731 HD1 PHE 92 HD1 PHE 92 -1.488 26.424 13.829 732 HD2 PHE 92 HD2 PHE 92 -1.849 25.291 17.916 733 HE1 PHE 92 HE1 PHE 92 -1.000 28.738 14.510 734 HE2 PHE 92 HE2 PHE 92 -1.364 27.602 18.603 735 HZ PHE 92 HZ PHE 92 -0.939 29.330 16.900 736 H CYS 93 H CYS 93 0.455 22.760 16.960 737 HA CYS 93 HA CYS 93 2.161 25.069 17.232 738 HB2 CYS 93 HB2 CYS 93 1.258 23.996 19.230 739 HB3 CYS 93 HB3 CYS 93 2.048 22.484 18.800 740 HG CYS 93 HG CYS 93 3.758 23.184 20.668 741 H GLU 94 H GLU 94 2.313 22.111 15.592 742 HA GLU 94 HA GLU 94 5.243 22.089 15.567 743 HB2 GLU 94 HB2 GLU 94 5.030 19.897 14.479 744 HB3 GLU 94 HB3 GLU 94 4.162 19.948 16.007 745 HG2 GLU 94 HG2 GLU 94 2.247 19.432 15.025 746 HG3 GLU 94 HG3 GLU 94 2.442 20.712 13.829 747 H ALA 95 H ALA 95 2.473 22.756 13.582 748 HA ALA 95 HA ALA 95 4.281 23.529 11.393 749 HB1 ALA 95 HB1 ALA 95 2.273 22.884 9.880 750 HB2 ALA 95 HB2 ALA 95 3.354 21.622 10.473 751 HB3 ALA 95 HB3 ALA 95 1.791 21.881 11.249 752 HA PRO 96 HA PRO 96 2.243 27.415 11.351 753 HB2 PRO 96 HB2 PRO 96 2.232 28.019 8.705 754 HB3 PRO 96 HB3 PRO 96 3.700 28.044 9.689 755 HG2 PRO 96 HG2 PRO 96 2.701 25.921 7.830 756 HG3 PRO 96 HG3 PRO 96 4.348 26.547 8.032 757 HD2 PRO 96 HD2 PRO 96 3.530 24.214 9.138 758 HD3 PRO 96 HD3 PRO 96 4.742 25.262 9.905 759 H GLY 97 H GLY 97 1.069 26.755 8.168 760 HA2 GLY 97 HA2 GLY 97 -1.679 26.695 9.240 761 HA3 GLY 97 HA3 GLY 97 -1.229 27.344 7.670 762 H SER 98 H SER 98 0.097 24.344 8.848 763 HA SER 98 HA SER 98 -0.635 22.908 6.550 764 HB2 SER 98 HB2 SER 98 0.226 20.957 7.676 765 HB3 SER 98 HB3 SER 98 1.250 22.328 8.102 766 HG SER 98 HG SER 98 -0.778 21.123 9.674 767 H CYS 99 H CYS 99 -1.601 20.463 7.529 768 HA CYS 99 HA CYS 99 -4.281 21.137 8.530 769 HB2 CYS 99 HB2 CYS 99 -3.624 19.373 6.165 770 HB3 CYS 99 HB3 CYS 99 -5.207 19.439 6.929 771 HG CYS 99 HG CYS 99 -5.474 20.917 4.646 772 H VAL 100 H VAL 100 -5.465 19.234 9.364 773 HA VAL 100 HA VAL 100 -3.607 17.245 10.500 774 HB VAL 100 HB VAL 100 -5.961 17.396 12.085 775 HG11 VAL 100 HG11 VAL 100 -4.364 17.976 13.852 776 HG12 VAL 100 HG12 VAL 100 -3.772 16.650 12.849 777 HG13 VAL 100 HG13 VAL 100 -3.128 18.278 12.632 778 HG21 VAL 100 HG21 VAL 100 -6.341 19.621 11.226 779 HG22 VAL 100 HG22 VAL 100 -5.785 19.726 12.896 780 HG23 VAL 100 HG23 VAL 100 -4.673 20.075 11.573 781 H ALA 101 H ALA 101 -3.909 15.383 9.460 782 HA ALA 101 HA ALA 101 -6.467 14.662 8.337 783 HB1 ALA 101 HB1 ALA 101 -3.935 14.114 7.592 784 HB2 ALA 101 HB2 ALA 101 -4.343 12.626 8.447 785 HB3 ALA 101 HB3 ALA 101 -5.335 13.165 7.092 786 H VAL 102 H VAL 102 -8.026 13.682 9.430 787 HA VAL 102 HA VAL 102 -7.308 11.750 11.522 788 HB VAL 102 HB VAL 102 -9.139 12.576 12.952 789 HG11 VAL 102 HG11 VAL 102 -6.686 13.391 13.032 790 HG12 VAL 102 HG12 VAL 102 -7.341 14.909 12.414 791 HG13 VAL 102 HG13 VAL 102 -7.906 14.266 13.956 792 HG21 VAL 102 HG21 VAL 102 -10.368 13.656 11.014 793 HG22 VAL 102 HG22 VAL 102 -10.316 14.575 12.518 794 HG23 VAL 102 HG23 VAL 102 -9.247 15.006 11.183 795 H HIS 103 H HIS 103 -8.749 10.049 11.800 796 HA HIS 103 HA HIS 103 -10.379 9.449 9.505 797 HB2 HIS 103 HB2 HIS 103 -9.103 7.972 11.601 798 HB3 HIS 103 HB3 HIS 103 -10.807 7.529 11.550 799 HD1 HIS 103 HD1 HIS 103 -11.145 7.755 8.435 800 HD2 HIS 103 HD2 HIS 103 -8.098 5.719 10.392 801 HE1 HIS 103 HE1 HIS 103 -10.321 6.038 6.793 802 H CYS 104 H CYS 104 -12.544 9.531 9.327 803 HA CYS 104 HA CYS 104 -14.216 9.773 11.688 804 HB2 CYS 104 HB2 CYS 104 -13.732 12.087 11.360 805 HB3 CYS 104 HB3 CYS 104 -13.966 11.958 9.621 806 HG CYS 104 HG CYS 104 -16.548 12.277 9.572 807 H VAL 105 H VAL 105 -16.292 9.069 11.370 808 HA VAL 105 HA VAL 105 -16.774 7.607 8.922 809 HB VAL 105 HB VAL 105 -17.351 6.853 11.336 810 HG11 VAL 105 HG11 VAL 105 -19.230 7.626 12.360 811 HG12 VAL 105 HG12 VAL 105 -18.776 9.091 11.486 812 HG13 VAL 105 HG13 VAL 105 -20.028 8.028 10.840 813 HG21 VAL 105 HG21 VAL 105 -19.741 6.173 9.954 814 HG22 VAL 105 HG22 VAL 105 -18.426 6.256 8.781 815 HG23 VAL 105 HG23 VAL 105 -18.288 5.200 10.187 816 H ALA 106 H ALA 106 -19.605 7.764 8.890 817 HA ALA 106 HA ALA 106 -20.075 9.763 7.055 818 HB1 ALA 106 HB1 ALA 106 -22.508 9.328 8.442 819 HB2 ALA 106 HB2 ALA 106 -21.982 8.643 6.904 820 HB3 ALA 106 HB3 ALA 106 -21.622 7.803 8.412 821 H GLY 107 H GLY 107 -20.111 9.945 10.540 822 HA2 GLY 107 HA2 GLY 107 -19.691 12.081 11.587 823 HA3 GLY 107 HA3 GLY 107 -20.631 12.838 10.309 824 H LEU 108 H LEU 108 -22.835 12.976 10.492 825 HA LEU 108 HA LEU 108 -24.729 13.353 11.739 826 HB2 LEU 108 HB2 LEU 108 -24.179 10.419 11.834 827 HB3 LEU 108 HB3 LEU 108 -25.565 11.075 12.704 828 HG LEU 108 HG LEU 108 -25.075 11.235 9.730 829 HD11 LEU 108 HD11 LEU 108 -27.129 9.719 11.333 830 HD12 LEU 108 HD12 LEU 108 -25.740 9.018 10.503 831 HD13 LEU 108 HD13 LEU 108 -27.027 9.786 9.574 832 HD21 LEU 108 HD21 LEU 108 -26.653 12.885 11.442 833 HD22 LEU 108 HD22 LEU 108 -27.723 11.921 10.424 834 HD23 LEU 108 HD23 LEU 108 -26.488 12.943 9.687 835 H GLY 109 H GLY 109 -23.344 10.800 13.783 836 HA2 GLY 109 HA2 GLY 109 -23.972 12.297 16.160 837 HA3 GLY 109 HA3 GLY 109 -23.202 10.720 16.092 838 H ARG 110 H ARG 110 -20.944 10.581 15.904 839 HA ARG 110 HA ARG 110 -19.407 12.238 17.395 840 HB2 ARG 110 HB2 ARG 110 -17.441 11.366 16.194 841 HB3 ARG 110 HB3 ARG 110 -18.597 10.096 16.573 842 HG2 ARG 110 HG2 ARG 110 -18.727 9.526 14.441 843 HG3 ARG 110 HG3 ARG 110 -19.189 11.169 13.993 844 HD2 ARG 110 HD2 ARG 110 -16.405 10.050 14.258 845 HD3 ARG 110 HD3 ARG 110 -17.206 10.598 12.786 846 HE ARG 110 HE ARG 110 -17.222 12.829 14.231 847 HH11 ARG 110 HH11 ARG 110 -14.682 10.518 13.664 848 HH12 ARG 110 HH12 ARG 110 -13.410 11.685 13.806 849 HH21 ARG 110 HH21 ARG 110 -15.557 14.376 14.420 850 HH22 ARG 110 HH22 ARG 110 -13.908 13.879 14.237 851 H ALA 111 H ALA 111 -20.310 12.695 14.041 852 HA ALA 111 HA ALA 111 -18.589 14.549 13.086 853 HB1 ALA 111 HB1 ALA 111 -20.169 14.255 11.520 854 HB2 ALA 111 HB2 ALA 111 -21.452 14.038 12.711 855 HB3 ALA 111 HB3 ALA 111 -20.926 15.662 12.267 856 HA PRO 112 HA PRO 112 -20.652 18.350 15.109 857 HB2 PRO 112 HB2 PRO 112 -22.967 18.016 16.487 858 HB3 PRO 112 HB3 PRO 112 -22.919 18.293 14.742 859 HG2 PRO 112 HG2 PRO 112 -23.230 15.722 16.245 860 HG3 PRO 112 HG3 PRO 112 -24.094 16.287 14.802 861 HD2 PRO 112 HD2 PRO 112 -22.045 14.520 14.676 862 HD3 PRO 112 HD3 PRO 112 -22.373 15.696 13.387 863 H VAL 113 H VAL 113 -21.261 15.440 17.054 864 HA VAL 113 HA VAL 113 -20.975 16.470 19.595 865 HB VAL 113 HB VAL 113 -20.314 13.787 18.436 866 HG11 VAL 113 HG11 VAL 113 -20.175 13.271 21.072 867 HG12 VAL 113 HG12 VAL 113 -18.759 13.564 20.060 868 HG13 VAL 113 HG13 VAL 113 -19.433 14.870 21.035 869 HG21 VAL 113 HG21 VAL 113 -22.640 14.955 19.313 870 HG22 VAL 113 HG22 VAL 113 -22.365 13.223 19.130 871 HG23 VAL 113 HG23 VAL 113 -22.138 13.989 20.702 872 H LEU 114 H LEU 114 -18.371 14.976 17.663 873 HA LEU 114 HA LEU 114 -16.303 15.731 19.432 874 HB2 LEU 114 HB2 LEU 114 -16.426 14.737 16.622 875 HB3 LEU 114 HB3 LEU 114 -14.902 15.365 17.245 876 HG LEU 114 HG LEU 114 -14.974 12.944 17.411 877 HD11 LEU 114 HD11 LEU 114 -15.169 14.342 20.074 878 HD12 LEU 114 HD12 LEU 114 -13.716 14.119 19.099 879 HD13 LEU 114 HD13 LEU 114 -14.513 12.723 19.825 880 HD21 LEU 114 HD21 LEU 114 -16.717 11.756 18.166 881 HD22 LEU 114 HD22 LEU 114 -17.637 13.239 17.913 882 HD23 LEU 114 HD23 LEU 114 -17.007 12.854 19.516 883 H VAL 115 H VAL 115 -17.088 17.010 16.192 884 HA VAL 115 HA VAL 115 -15.341 19.117 16.092 885 HB VAL 115 HB VAL 115 -17.290 18.285 14.450 886 HG11 VAL 115 HG11 VAL 115 -18.343 20.909 15.494 887 HG12 VAL 115 HG12 VAL 115 -19.046 19.897 14.230 888 HG13 VAL 115 HG13 VAL 115 -19.027 19.336 15.903 889 HG21 VAL 115 HG21 VAL 115 -15.284 19.668 13.926 890 HG22 VAL 115 HG22 VAL 115 -16.722 20.116 13.009 891 HG23 VAL 115 HG23 VAL 115 -16.209 21.099 14.381 892 H ALA 116 H ALA 116 -18.317 18.873 17.911 893 HA ALA 116 HA ALA 116 -18.537 21.640 18.552 894 HB1 ALA 116 HB1 ALA 116 -20.126 20.843 20.302 895 HB2 ALA 116 HB2 ALA 116 -20.496 20.276 18.673 896 HB3 ALA 116 HB3 ALA 116 -19.732 19.189 19.833 897 H LEU 117 H LEU 117 -17.157 18.830 20.211 898 HA LEU 117 HA LEU 117 -16.552 19.955 22.659 899 HB2 LEU 117 HB2 LEU 117 -16.254 17.560 21.921 900 HB3 LEU 117 HB3 LEU 117 -14.738 18.065 21.179 901 HG LEU 117 HG LEU 117 -14.534 16.956 23.422 902 HD11 LEU 117 HD11 LEU 117 -12.892 18.604 22.340 903 HD12 LEU 117 HD12 LEU 117 -12.726 18.275 24.064 904 HD13 LEU 117 HD13 LEU 117 -13.497 19.766 23.522 905 HD21 LEU 117 HD21 LEU 117 -15.167 18.075 25.393 906 HD22 LEU 117 HD22 LEU 117 -16.577 18.157 24.336 907 HD23 LEU 117 HD23 LEU 117 -15.533 19.567 24.526 908 H ALA 118 H ALA 118 -14.514 19.899 19.741 909 HA ALA 118 HA ALA 118 -12.447 21.484 20.890 910 HB1 ALA 118 HB1 ALA 118 -12.364 19.870 18.861 911 HB2 ALA 118 HB2 ALA 118 -12.882 21.282 17.939 912 HB3 ALA 118 HB3 ALA 118 -11.372 21.329 18.848 913 H LEU 119 H LEU 119 -15.205 22.187 18.787 914 HA LEU 119 HA LEU 119 -14.647 24.833 18.163 915 HB2 LEU 119 HB2 LEU 119 -16.432 23.928 17.010 916 HB3 LEU 119 HB3 LEU 119 -17.168 23.263 18.467 917 HG LEU 119 HG LEU 119 -17.934 25.469 19.122 918 HD11 LEU 119 HD11 LEU 119 -17.434 27.434 18.035 919 HD12 LEU 119 HD12 LEU 119 -17.013 26.621 16.528 920 HD13 LEU 119 HD13 LEU 119 -15.908 26.560 17.900 921 HD21 LEU 119 HD21 LEU 119 -18.593 24.833 16.248 922 HD22 LEU 119 HD22 LEU 119 -19.543 25.862 17.320 923 HD23 LEU 119 HD23 LEU 119 -19.372 24.142 17.672 924 H ILE 120 H ILE 120 -16.181 23.472 21.037 925 HA ILE 120 HA ILE 120 -16.864 25.975 22.203 926 HB ILE 120 HB ILE 120 -16.880 23.153 23.070 927 HG12 ILE 120 HG12 ILE 120 -19.101 23.827 23.924 928 HG13 ILE 120 HG13 ILE 120 -18.749 25.497 23.491 929 HG21 ILE 120 HG21 ILE 120 -16.546 25.427 25.007 930 HG22 ILE 120 HG22 ILE 120 -17.286 23.892 25.458 931 HG23 ILE 120 HG23 ILE 120 -15.614 23.934 24.901 932 HD11 ILE 120 HD11 ILE 120 -18.746 24.972 21.173 933 HD12 ILE 120 HD12 ILE 120 -18.823 23.242 21.507 934 HD13 ILE 120 HD13 ILE 120 -20.202 24.274 21.882 935 H GLU 121 H GLU 121 -14.209 23.678 22.789 936 HA GLU 121 HA GLU 121 -12.920 25.153 24.793 937 HB2 GLU 121 HB2 GLU 121 -12.029 23.039 22.865 938 HB3 GLU 121 HB3 GLU 121 -10.844 23.854 23.875 939 HG2 GLU 121 HG2 GLU 121 -13.150 22.932 25.380 940 HG3 GLU 121 HG3 GLU 121 -12.303 21.626 24.551 941 H SER 122 H SER 122 -13.125 25.659 21.412 942 HA SER 122 HA SER 122 -10.702 27.106 21.051 943 HB2 SER 122 HB2 SER 122 -11.340 27.253 18.879 944 HB3 SER 122 HB3 SER 122 -12.570 26.082 19.352 945 HG SER 122 HG SER 122 -12.812 28.869 19.009 946 H GLY 123 H GLY 123 -13.727 27.873 22.461 947 HA2 GLY 123 HA2 GLY 123 -13.591 29.932 23.874 948 HA3 GLY 123 HA3 GLY 123 -13.024 30.744 22.423 949 H MET 124 H MET 124 -15.444 28.375 21.939 950 HA MET 124 HA MET 124 -17.395 30.507 21.431 951 HB2 MET 124 HB2 MET 124 -16.580 28.419 19.840 952 HB3 MET 124 HB3 MET 124 -18.079 27.805 20.525 953 HG2 MET 124 HG2 MET 124 -18.913 28.835 18.691 954 HG3 MET 124 HG3 MET 124 -18.961 30.189 19.818 955 HE1 MET 124 HE1 MET 124 -19.310 31.565 17.679 956 HE2 MET 124 HE2 MET 124 -18.035 32.018 16.549 957 HE3 MET 124 HE3 MET 124 -18.835 30.453 16.394 958 H LYS 125 H LYS 125 -19.580 30.264 22.090 959 HA LYS 125 HA LYS 125 -19.864 29.140 24.700 960 HB2 LYS 125 HB2 LYS 125 -22.370 29.850 23.406 961 HB3 LYS 125 HB3 LYS 125 -21.624 30.521 24.851 962 HG2 LYS 125 HG2 LYS 125 -20.084 31.773 23.211 963 HG3 LYS 125 HG3 LYS 125 -21.301 31.366 21.999 964 HD2 LYS 125 HD2 LYS 125 -23.018 32.440 23.416 965 HD3 LYS 125 HD3 LYS 125 -21.753 32.907 24.555 966 HE2 LYS 125 HE2 LYS 125 -20.705 33.887 22.287 967 HE3 LYS 125 HE3 LYS 125 -22.419 34.002 21.891 968 HZ1 LYS 125 HZ1 LYS 125 -20.898 35.695 23.521 969 HZ2 LYS 125 HZ2 LYS 125 -22.060 34.948 24.497 970 HZ3 LYS 125 HZ3 LYS 125 -22.539 35.817 23.127 971 H TYR 126 H TYR 126 -20.777 27.268 25.331 972 HA TYR 126 HA TYR 126 -20.981 25.087 23.657 973 HB2 TYR 126 HB2 TYR 126 -21.017 24.239 25.739 974 HB3 TYR 126 HB3 TYR 126 -21.719 25.705 26.413 975 HD1 TYR 126 HD2 TYR 126 -22.668 22.700 24.413 976 HD2 TYR 126 HD1 TYR 126 -23.886 25.642 27.235 977 HE1 TYR 126 HE2 TYR 126 -24.815 21.534 24.693 978 HE2 TYR 126 HE1 TYR 126 -26.036 24.483 27.524 979 HH TYR 126 HH TYR 126 -27.322 22.468 25.530 980 H GLU 127 H GLU 127 -23.631 27.134 24.866 981 HA GLU 127 HA GLU 127 -25.713 25.805 23.543 982 HB2 GLU 127 HB2 GLU 127 -25.461 28.679 24.436 983 HB3 GLU 127 HB3 GLU 127 -26.951 27.980 23.818 984 HG2 GLU 127 HG2 GLU 127 -26.368 26.189 25.729 985 HG3 GLU 127 HG3 GLU 127 -25.629 27.630 26.426 986 H ASP 128 H ASP 128 -24.034 28.811 22.611 987 HA ASP 128 HA ASP 128 -25.253 29.264 20.186 988 HB2 ASP 128 HB2 ASP 128 -23.333 30.543 21.503 989 HB3 ASP 128 HB3 ASP 128 -22.306 29.695 20.351 990 H ALA 129 H ALA 129 -22.219 27.453 20.682 991 HA ALA 129 HA ALA 129 -21.831 26.619 18.067 992 HB1 ALA 129 HB1 ALA 129 -20.950 25.659 20.722 993 HB2 ALA 129 HB2 ALA 129 -20.779 24.539 19.370 994 HB3 ALA 129 HB3 ALA 129 -20.002 26.121 19.308 995 H ILE 130 H ILE 130 -23.609 24.976 20.671 996 HA ILE 130 HA ILE 130 -24.311 22.663 19.300 997 HB ILE 130 HB ILE 130 -25.756 24.167 21.474 998 HG12 ILE 130 HG12 ILE 130 -24.219 23.159 22.755 999 HG13 ILE 130 HG13 ILE 130 -24.933 21.614 22.307 1000 HG21 ILE 130 HG21 ILE 130 -26.985 21.922 21.742 1001 HG22 ILE 130 HG22 ILE 130 -27.524 23.028 20.479 1002 HG23 ILE 130 HG23 ILE 130 -26.522 21.637 20.065 1003 HD11 ILE 130 HD11 ILE 130 -22.562 21.567 21.920 1004 HD12 ILE 130 HD12 ILE 130 -23.410 21.511 20.375 1005 HD13 ILE 130 HD13 ILE 130 -22.662 23.014 20.917 1006 H GLN 131 H GLN 131 -26.286 25.609 19.703 1007 HA GLN 131 HA GLN 131 -28.439 24.927 18.146 1008 HB2 GLN 131 HB2 GLN 131 -27.099 27.559 18.675 1009 HB3 GLN 131 HB3 GLN 131 -28.481 27.470 17.592 1010 HG2 GLN 131 HG2 GLN 131 -28.586 27.820 20.303 1011 HG3 GLN 131 HG3 GLN 131 -29.920 27.302 19.274 1012 HE21 GLN 131 HE21 GLN 131 -27.635 26.383 21.674 1013 HE22 GLN 131 HE22 GLN 131 -28.230 24.783 21.941 1014 H PHE 132 H PHE 132 -25.272 26.032 17.109 1015 HA PHE 132 HA PHE 132 -25.929 26.477 14.392 1016 HB2 PHE 132 HB2 PHE 132 -23.847 27.256 15.676 1017 HB3 PHE 132 HB3 PHE 132 -23.206 25.644 15.376 1018 HD1 PHE 132 HD1 PHE 132 -25.213 27.863 13.167 1019 HD2 PHE 132 HD2 PHE 132 -21.483 25.933 13.860 1020 HE1 PHE 132 HE1 PHE 132 -24.427 28.593 10.953 1021 HE2 PHE 132 HE2 PHE 132 -20.691 26.660 11.647 1022 HZ PHE 132 HZ PHE 132 -22.164 27.993 10.190 1023 H ILE 133 H ILE 133 -23.913 23.849 15.715 1024 HA ILE 133 HA ILE 133 -24.109 22.218 13.439 1025 HB ILE 133 HB ILE 133 -23.403 20.359 15.020 1026 HG12 ILE 133 HG12 ILE 133 -22.848 22.488 17.039 1027 HG13 ILE 133 HG13 ILE 133 -24.462 21.789 16.987 1028 HG21 ILE 133 HG21 ILE 133 -21.326 22.194 15.606 1029 HG22 ILE 133 HG22 ILE 133 -21.397 20.991 14.319 1030 HG23 ILE 133 HG23 ILE 133 -22.000 22.624 14.034 1031 HD11 ILE 133 HD11 ILE 133 -22.939 20.718 18.619 1032 HD12 ILE 133 HD12 ILE 133 -23.592 19.605 17.416 1033 HD13 ILE 133 HD13 ILE 133 -21.934 20.187 17.271 1034 H ARG 134 H ARG 134 -26.355 22.848 15.921 1035 HA ARG 134 HA ARG 134 -27.781 20.343 15.660 1036 HB2 ARG 134 HB2 ARG 134 -27.736 21.471 17.824 1037 HB3 ARG 134 HB3 ARG 134 -28.490 22.894 17.118 1038 HG2 ARG 134 HG2 ARG 134 -30.451 21.412 16.540 1039 HG3 ARG 134 HG3 ARG 134 -29.704 20.185 17.566 1040 HD2 ARG 134 HD2 ARG 134 -29.620 22.133 19.312 1041 HD3 ARG 134 HD3 ARG 134 -30.897 22.819 18.308 1042 HE ARG 134 HE ARG 134 -31.343 20.081 19.080 1043 HH11 ARG 134 HH11 ARG 134 -31.769 23.425 19.948 1044 HH12 ARG 134 HH12 ARG 134 -33.118 23.118 20.991 1045 HH21 ARG 134 HH21 ARG 134 -33.119 19.664 20.450 1046 HH22 ARG 134 HH22 ARG 134 -33.885 20.978 21.276 1047 H GLN 135 H GLN 135 -28.269 23.735 14.742 1048 HA GLN 135 HA GLN 135 -30.795 23.383 13.543 1049 HB2 GLN 135 HB2 GLN 135 -30.474 25.562 12.581 1050 HB3 GLN 135 HB3 GLN 135 -29.816 25.577 14.211 1051 HG2 GLN 135 HG2 GLN 135 -27.638 25.703 13.481 1052 HG3 GLN 135 HG3 GLN 135 -28.016 25.007 11.906 1053 HE21 GLN 135 HE21 GLN 135 -26.586 26.954 11.417 1054 HE22 GLN 135 HE22 GLN 135 -27.411 28.431 11.069 1055 H LYS 136 H LYS 136 -27.563 22.790 12.428 1056 HA LYS 136 HA LYS 136 -28.420 22.485 9.659 1057 HB2 LYS 136 HB2 LYS 136 -26.049 22.074 9.187 1058 HB3 LYS 136 HB3 LYS 136 -26.272 23.569 10.086 1059 HG2 LYS 136 HG2 LYS 136 -25.053 22.847 11.807 1060 HG3 LYS 136 HG3 LYS 136 -25.820 21.257 11.800 1061 HD2 LYS 136 HD2 LYS 136 -23.560 20.850 11.293 1062 HD3 LYS 136 HD3 LYS 136 -24.400 20.762 9.742 1063 HE2 LYS 136 HE2 LYS 136 -23.274 22.509 8.920 1064 HE3 LYS 136 HE3 LYS 136 -23.500 23.453 10.392 1065 HZ1 LYS 136 HZ1 LYS 136 -21.517 22.820 11.208 1066 HZ2 LYS 136 HZ2 LYS 136 -21.140 22.548 9.582 1067 HZ3 LYS 136 HZ3 LYS 136 -21.608 21.256 10.568 1068 H ARG 137 H ARG 137 -28.826 20.658 12.244 1069 HA ARG 137 HA ARG 137 -29.291 18.275 10.861 1070 HB2 ARG 137 HB2 ARG 137 -26.551 18.646 11.628 1071 HB3 ARG 137 HB3 ARG 137 -27.234 17.310 12.546 1072 HG2 ARG 137 HG2 ARG 137 -27.760 16.102 10.596 1073 HG3 ARG 137 HG3 ARG 137 -27.500 17.509 9.564 1074 HD2 ARG 137 HD2 ARG 137 -25.170 16.805 11.172 1075 HD3 ARG 137 HD3 ARG 137 -25.671 15.522 10.072 1076 HE ARG 137 HE ARG 137 -25.587 18.018 8.733 1077 HH11 ARG 137 HH11 ARG 137 -23.541 15.503 10.001 1078 HH12 ARG 137 HH12 ARG 137 -22.252 15.808 8.885 1079 HH21 ARG 137 HH21 ARG 137 -23.897 18.430 7.258 1080 HH22 ARG 137 HH22 ARG 137 -22.455 17.475 7.325 1081 H ARG 138 H ARG 138 -31.149 18.112 12.018 1082 HA ARG 138 HA ARG 138 -31.589 18.638 14.678 1083 HB2 ARG 138 HB2 ARG 138 -32.875 16.398 13.106 1084 HB3 ARG 138 HB3 ARG 138 -33.535 17.188 14.532 1085 HG2 ARG 138 HG2 ARG 138 -33.056 19.266 12.758 1086 HG3 ARG 138 HG3 ARG 138 -33.689 17.959 11.754 1087 HD2 ARG 138 HD2 ARG 138 -35.709 17.903 12.869 1088 HD3 ARG 138 HD3 ARG 138 -35.038 18.618 14.334 1089 HE ARG 138 HE ARG 138 -36.174 20.004 12.115 1090 HH11 ARG 138 HH11 ARG 138 -33.778 20.225 14.631 1091 HH12 ARG 138 HH12 ARG 138 -33.797 21.957 14.677 1092 HH21 ARG 138 HH21 ARG 138 -36.208 22.284 12.166 1093 HH22 ARG 138 HH22 ARG 138 -35.180 23.127 13.275 1094 H GLY 139 H GLY 139 -31.372 17.561 16.595 1095 HA2 GLY 139 HA2 GLY 139 -30.355 16.149 18.098 1096 HA3 GLY 139 HA3 GLY 139 -30.948 14.878 17.039 1097 H ALA 140 H ALA 140 -28.466 17.366 16.511 1098 HA ALA 140 HA ALA 140 -26.672 15.373 15.435 1099 HB1 ALA 140 HB1 ALA 140 -26.910 18.264 15.359 1100 HB2 ALA 140 HB2 ALA 140 -25.247 17.734 15.615 1101 HB3 ALA 140 HB3 ALA 140 -26.149 17.160 14.212 1102 H ILE 141 H ILE 141 -26.268 17.872 17.955 1103 HA ILE 141 HA ILE 141 -24.209 16.211 19.204 1104 HB ILE 141 HB ILE 141 -23.474 18.442 18.919 1105 HG12 ILE 141 HG12 ILE 141 -24.265 18.833 21.726 1106 HG13 ILE 141 HG13 ILE 141 -23.563 17.255 21.384 1107 HG21 ILE 141 HG21 ILE 141 -26.227 19.126 19.780 1108 HG22 ILE 141 HG22 ILE 141 -24.939 20.259 20.188 1109 HG23 ILE 141 HG23 ILE 141 -25.230 19.826 18.504 1110 HD11 ILE 141 HD11 ILE 141 -21.513 18.121 20.906 1111 HD12 ILE 141 HD12 ILE 141 -22.167 19.668 20.365 1112 HD13 ILE 141 HD13 ILE 141 -22.078 19.301 22.088 1113 H ASN 142 H ASN 142 -27.490 16.959 19.530 1114 HA ASN 142 HA ASN 142 -28.008 17.098 22.211 1115 HB2 ASN 142 HB2 ASN 142 -29.500 16.579 19.899 1116 HB3 ASN 142 HB3 ASN 142 -29.830 15.218 20.968 1117 HD21 ASN 142 HD21 ASN 142 -30.453 18.475 20.282 1118 HD22 ASN 142 HD22 ASN 142 -31.443 18.826 21.654 1119 H SER 143 H SER 143 -28.960 15.318 23.610 1120 HA SER 143 HA SER 143 -28.933 13.142 24.455 1121 HB2 SER 143 HB2 SER 143 -28.093 12.490 22.053 1122 HB3 SER 143 HB3 SER 143 -26.513 12.435 22.833 1123 HG SER 143 HG SER 143 -27.659 10.409 22.843 1124 H LYS 144 H LYS 144 -26.575 11.709 25.093 1125 HA LYS 144 HA LYS 144 -25.745 12.827 27.428 1126 HB2 LYS 144 HB2 LYS 144 -24.233 11.040 25.527 1127 HB3 LYS 144 HB3 LYS 144 -23.607 11.475 27.112 1128 HG2 LYS 144 HG2 LYS 144 -24.804 9.877 28.062 1129 HG3 LYS 144 HG3 LYS 144 -26.292 10.546 27.390 1130 HD2 LYS 144 HD2 LYS 144 -25.481 9.366 25.200 1131 HD3 LYS 144 HD3 LYS 144 -24.518 8.395 26.317 1132 HE2 LYS 144 HE2 LYS 144 -26.395 7.123 26.315 1133 HE3 LYS 144 HE3 LYS 144 -26.866 8.263 27.574 1134 HZ1 LYS 144 HZ1 LYS 144 -28.685 8.255 26.182 1135 HZ2 LYS 144 HZ2 LYS 144 -27.760 8.128 24.772 1136 HZ3 LYS 144 HZ3 LYS 144 -27.828 9.597 25.609 1137 H GLN 145 H GLN 145 -24.327 13.355 24.230 1138 HA GLN 145 HA GLN 145 -22.089 14.824 24.947 1139 HB2 GLN 145 HB2 GLN 145 -22.586 14.045 22.653 1140 HB3 GLN 145 HB3 GLN 145 -23.849 15.263 22.529 1141 HG2 GLN 145 HG2 GLN 145 -21.839 15.988 21.395 1142 HG3 GLN 145 HG3 GLN 145 -22.183 17.025 22.778 1143 HE21 GLN 145 HE21 GLN 145 -19.957 17.657 22.635 1144 HE22 GLN 145 HE22 GLN 145 -18.731 16.662 23.336 1145 H LEU 146 H LEU 146 -25.256 16.148 23.969 1146 HA LEU 146 HA LEU 146 -24.806 18.808 24.416 1147 HB2 LEU 146 HB2 LEU 146 -27.017 17.208 23.924 1148 HB3 LEU 146 HB3 LEU 146 -27.405 18.021 25.438 1149 HG LEU 146 HG LEU 146 -26.838 20.193 24.220 1150 HD11 LEU 146 HD11 LEU 146 -26.178 20.141 22.105 1151 HD12 LEU 146 HD12 LEU 146 -27.587 19.186 21.645 1152 HD13 LEU 146 HD13 LEU 146 -26.120 18.381 22.201 1153 HD21 LEU 146 HD21 LEU 146 -29.217 18.463 23.880 1154 HD22 LEU 146 HD22 LEU 146 -29.110 19.896 22.857 1155 HD23 LEU 146 HD23 LEU 146 -29.068 20.060 24.613 1156 H THR 147 H THR 147 -26.152 16.541 26.820 1157 HA THR 147 HA THR 147 -26.170 18.322 28.975 1158 HB THR 147 HB THR 147 -26.226 16.315 30.427 1159 HG1 THR 147 HG1 THR 147 -26.095 14.268 29.439 1160 HG21 THR 147 HG21 THR 147 -28.132 15.199 28.776 1161 HG22 THR 147 HG22 THR 147 -28.029 16.863 28.202 1162 HG23 THR 147 HG23 THR 147 -28.392 16.535 29.896 1163 H TYR 148 H TYR 148 -23.614 16.315 27.665 1164 HA TYR 148 HA TYR 148 -21.803 16.306 29.756 1165 HB2 TYR 148 HB2 TYR 148 -21.649 15.180 27.443 1166 HB3 TYR 148 HB3 TYR 148 -20.934 16.694 26.900 1167 HD1 TYR 148 HD2 TYR 148 -20.536 14.225 29.681 1168 HD2 TYR 148 HD1 TYR 148 -18.635 16.848 26.923 1169 HE1 TYR 148 HE2 TYR 148 -18.338 13.470 30.487 1170 HE2 TYR 148 HE1 TYR 148 -16.432 16.099 27.720 1171 HH TYR 148 HH TYR 148 -16.115 13.927 30.472 1172 H LEU 149 H LEU 149 -21.779 18.609 27.028 1173 HA LEU 149 HA LEU 149 -19.926 20.365 28.241 1174 HB2 LEU 149 HB2 LEU 149 -21.050 20.092 25.750 1175 HB3 LEU 149 HB3 LEU 149 -21.758 21.598 26.331 1176 HG LEU 149 HG LEU 149 -19.814 22.120 25.041 1177 HD11 LEU 149 HD11 LEU 149 -20.260 23.075 27.512 1178 HD12 LEU 149 HD12 LEU 149 -18.959 23.644 26.466 1179 HD13 LEU 149 HD13 LEU 149 -18.624 22.449 27.718 1180 HD21 LEU 149 HD21 LEU 149 -18.780 19.736 26.241 1181 HD22 LEU 149 HD22 LEU 149 -17.668 21.075 26.529 1182 HD23 LEU 149 HD23 LEU 149 -18.148 20.665 24.882 1183 H GLU 150 H GLU 150 -23.388 20.072 28.411 1184 HA GLU 150 HA GLU 150 -24.092 22.619 29.290 1185 HB2 GLU 150 HB2 GLU 150 -25.455 20.321 28.829 1186 HB3 GLU 150 HB3 GLU 150 -25.490 20.362 30.586 1187 HG2 GLU 150 HG2 GLU 150 -26.475 22.598 30.513 1188 HG3 GLU 150 HG3 GLU 150 -26.450 22.547 28.751 1189 H LYS 151 H LYS 151 -22.998 19.802 31.143 1190 HA LYS 151 HA LYS 151 -22.973 21.382 33.597 1191 HB2 LYS 151 HB2 LYS 151 -22.903 18.499 32.928 1192 HB3 LYS 151 HB3 LYS 151 -21.987 18.981 34.351 1193 HG2 LYS 151 HG2 LYS 151 -24.001 20.012 35.290 1194 HG3 LYS 151 HG3 LYS 151 -24.915 19.499 33.869 1195 HD2 LYS 151 HD2 LYS 151 -23.402 17.384 35.263 1196 HD3 LYS 151 HD3 LYS 151 -24.763 18.072 36.152 1197 HE2 LYS 151 HE2 LYS 151 -26.246 17.585 34.280 1198 HE3 LYS 151 HE3 LYS 151 -24.889 16.940 33.358 1199 HZ1 LYS 151 HZ1 LYS 151 -24.639 15.375 35.378 1200 HZ2 LYS 151 HZ2 LYS 151 -25.842 15.054 34.233 1201 HZ3 LYS 151 HZ3 LYS 151 -26.247 15.789 35.702 1202 H TYR 152 H TYR 152 -20.812 20.067 31.215 1203 HA TYR 152 HA TYR 152 -18.420 20.216 32.728 1204 HB2 TYR 152 HB2 TYR 152 -18.733 18.911 30.601 1205 HB3 TYR 152 HB3 TYR 152 -18.690 20.438 29.725 1206 HD1 TYR 152 HD2 TYR 152 -16.603 21.758 29.640 1207 HD2 TYR 152 HD1 TYR 152 -16.730 17.910 31.450 1208 HE1 TYR 152 HE2 TYR 152 -14.149 21.637 29.540 1209 HE2 TYR 152 HE1 TYR 152 -14.276 17.778 31.357 1210 HH TYR 152 HH TYR 152 -12.430 18.883 29.846 1211 H ARG 153 H ARG 153 -16.756 21.764 32.661 1212 HA ARG 153 HA ARG 153 -17.606 24.443 31.774 1213 HB2 ARG 153 HB2 ARG 153 -17.669 24.571 34.116 1214 HB3 ARG 153 HB3 ARG 153 -16.230 23.576 34.299 1215 HG2 ARG 153 HG2 ARG 153 -15.939 26.173 32.899 1216 HG3 ARG 153 HG3 ARG 153 -16.188 26.196 34.646 1217 HD2 ARG 153 HD2 ARG 153 -14.279 24.195 34.138 1218 HD3 ARG 153 HD3 ARG 153 -13.816 25.584 33.156 1219 HE ARG 153 HE ARG 153 -13.665 25.365 36.000 1220 HH11 ARG 153 HH11 ARG 153 -14.115 27.599 33.367 1221 HH12 ARG 153 HH12 ARG 153 -13.521 28.965 34.253 1222 HH21 ARG 153 HH21 ARG 153 -12.882 27.156 37.176 1223 HH22 ARG 153 HH22 ARG 153 -12.820 28.711 36.419 1224 HA PRO 154 HA PRO 154 -13.944 24.316 29.294 1225 HB2 PRO 154 HB2 PRO 154 -13.913 26.938 28.593 1226 HB3 PRO 154 HB3 PRO 154 -15.040 25.770 27.893 1227 HG2 PRO 154 HG2 PRO 154 -15.490 27.754 30.089 1228 HG3 PRO 154 HG3 PRO 154 -16.545 27.335 28.726 1229 HD2 PRO 154 HD2 PRO 154 -16.930 26.357 31.222 1230 HD3 PRO 154 HD3 PRO 154 -17.336 25.433 29.761 1231 H LYS 155 H LYS 155 -12.035 24.098 30.286 1232 HA LYS 155 HA LYS 155 -11.202 25.935 32.364 1233 HB2 LYS 155 HB2 LYS 155 -9.237 24.448 32.560 1234 HB3 LYS 155 HB3 LYS 155 -10.757 23.571 32.678 1235 HG2 LYS 155 HG2 LYS 155 -9.707 23.727 29.960 1236 HG3 LYS 155 HG3 LYS 155 -8.645 22.885 31.091 1237 HD2 LYS 155 HD2 LYS 155 -11.043 21.818 31.759 1238 HD3 LYS 155 HD3 LYS 155 -11.285 22.117 30.036 1239 HE2 LYS 155 HE2 LYS 155 -10.029 20.361 29.508 1240 HE3 LYS 155 HE3 LYS 155 -8.689 20.980 30.473 1241 HZ1 LYS 155 HZ1 LYS 155 -9.278 19.730 32.265 1242 HZ2 LYS 155 HZ2 LYS 155 -9.826 18.706 31.036 1243 HZ3 LYS 155 HZ3 LYS 155 -10.922 19.693 31.865 1244 H GLN 156 H GLN 156 -11.272 26.288 29.192 1245 HA GLN 156 HA GLN 156 -10.189 27.622 27.702 1246 HB2 GLN 156 HB2 GLN 156 -8.391 28.591 29.905 1247 HB3 GLN 156 HB3 GLN 156 -8.972 29.465 28.494 1248 HG2 GLN 156 HG2 GLN 156 -10.427 30.392 29.900 1249 HG3 GLN 156 HG3 GLN 156 -11.300 28.866 29.775 1250 HE21 GLN 156 HE21 GLN 156 -12.158 29.068 31.835 1251 HE22 GLN 156 HE22 GLN 156 -11.205 28.848 33.259 1252 H ARG 157 H ARG 157 -9.369 25.491 26.953 1253 HA ARG 157 HA ARG 157 -6.525 25.056 27.499 1254 HB2 ARG 157 HB2 ARG 157 -8.559 23.268 27.314 1255 HB3 ARG 157 HB3 ARG 157 -7.945 23.228 25.666 1256 HG2 ARG 157 HG2 ARG 157 -6.058 22.165 26.256 1257 HG3 ARG 157 HG3 ARG 157 -5.894 23.071 27.762 1258 HD2 ARG 157 HD2 ARG 157 -8.121 21.562 28.240 1259 HD3 ARG 157 HD3 ARG 157 -7.151 20.477 27.246 1260 HE ARG 157 HE ARG 157 -5.630 21.673 29.345 1261 HH11 ARG 157 HH11 ARG 157 -7.882 19.124 28.603 1262 HH12 ARG 157 HH12 ARG 157 -7.362 18.107 29.906 1263 HH21 ARG 157 HH21 ARG 157 -4.936 20.343 31.064 1264 HH22 ARG 157 HH22 ARG 157 -5.687 18.802 31.306 1265 H LEU 158 H LEU 158 -8.687 25.135 24.660 1266 HA LEU 158 HA LEU 158 -6.583 25.399 22.785 1267 HB2 LEU 158 HB2 LEU 158 -9.450 25.241 22.757 1268 HB3 LEU 158 HB3 LEU 158 -8.907 26.519 21.672 1269 HG LEU 158 HG LEU 158 -9.262 24.257 20.624 1270 HD11 LEU 158 HD11 LEU 158 -6.677 24.430 19.737 1271 HD12 LEU 158 HD12 LEU 158 -6.976 26.049 20.369 1272 HD13 LEU 158 HD13 LEU 158 -8.037 25.376 19.131 1273 HD21 LEU 158 HD21 LEU 158 -6.618 23.364 21.549 1274 HD22 LEU 158 HD22 LEU 158 -8.081 22.437 21.217 1275 HD23 LEU 158 HD23 LEU 158 -7.905 23.288 22.753 1276 H ARG 159 H ARG 159 -8.384 27.679 24.693 1277 HA ARG 159 HA ARG 159 -6.556 29.769 24.262 1278 HB2 ARG 159 HB2 ARG 159 -8.748 29.580 22.343 1279 HB3 ARG 159 HB3 ARG 159 -8.706 31.129 23.175 1280 HG2 ARG 159 HG2 ARG 159 -6.067 30.680 22.490 1281 HG3 ARG 159 HG3 ARG 159 -6.978 30.087 21.099 1282 HD2 ARG 159 HD2 ARG 159 -7.021 32.832 22.326 1283 HD3 ARG 159 HD3 ARG 159 -6.554 32.377 20.688 1284 HE ARG 159 HE ARG 159 -9.198 31.613 21.011 1285 HH11 ARG 159 HH11 ARG 159 -7.341 34.557 21.039 1286 HH12 ARG 159 HH12 ARG 159 -8.648 35.541 20.469 1287 HH21 ARG 159 HH21 ARG 159 -10.927 32.898 20.260 1288 HH22 ARG 159 HH22 ARG 159 -10.688 34.596 20.027 1289 H PHE 160 H PHE 160 -10.086 30.062 24.407 1290 HA PHE 160 HA PHE 160 -10.388 30.131 27.174 1291 HB2 PHE 160 HB2 PHE 160 -8.958 32.345 26.364 1292 HB3 PHE 160 HB3 PHE 160 -10.608 32.955 26.432 1293 HD1 PHE 160 HD2 PHE 160 -11.818 33.043 28.535 1294 HD2 PHE 160 HD1 PHE 160 -7.799 31.653 28.354 1295 HE1 PHE 160 HE2 PHE 160 -11.630 33.280 30.976 1296 HE2 PHE 160 HE1 PHE 160 -7.604 31.887 30.795 1297 HZ PHE 160 HZ PHE 160 -9.521 32.702 32.110 1298 H LYS 161 H LYS 161 -12.494 29.913 27.554 1299 HA LYS 161 HA LYS 161 -14.376 30.821 25.478 1300 HB2 LYS 161 HB2 LYS 161 -14.080 28.300 26.122 1301 HB3 LYS 161 HB3 LYS 161 -15.066 28.732 27.513 1302 HG2 LYS 161 HG2 LYS 161 -16.219 29.724 25.057 1303 HG3 LYS 161 HG3 LYS 161 -15.961 27.979 25.000 1304 HD2 LYS 161 HD2 LYS 161 -17.063 28.866 27.542 1305 HD3 LYS 161 HD3 LYS 161 -18.099 29.278 26.173 1306 HE2 LYS 161 HE2 LYS 161 -17.876 26.889 25.424 1307 HE3 LYS 161 HE3 LYS 161 -17.078 26.554 26.960 1308 HZ1 LYS 161 HZ1 LYS 161 -19.709 27.866 26.951 1309 HZ2 LYS 161 HZ2 LYS 161 -19.005 26.888 28.137 1310 HZ3 LYS 161 HZ3 LYS 161 -19.617 26.193 26.721 1311 H ASP 162 H ASP 162 -16.607 31.301 26.325 1312 HA ASP 162 HA ASP 162 -17.924 32.731 27.516 1313 HB2 ASP 162 HB2 ASP 162 -17.610 30.655 29.045 1314 HB3 ASP 162 HB3 ASP 162 -16.589 31.717 30.010 Start of MODEL 9 1 H1 MET 1 H MET 1 -2.572 -1.396 -2.519 2 HA MET 1 HA MET 1 -0.156 -1.323 -1.771 3 HB2 MET 1 HB2 MET 1 -1.300 -2.638 -4.034 4 HB3 MET 1 HB3 MET 1 0.343 -2.161 -4.442 5 HG2 MET 1 HG2 MET 1 0.303 -4.400 -3.534 6 HG3 MET 1 HG3 MET 1 1.175 -3.309 -2.459 7 HE1 MET 1 HE1 MET 1 0.980 -3.001 -0.429 8 HE2 MET 1 HE2 MET 1 -0.468 -2.950 0.576 9 HE3 MET 1 HE3 MET 1 0.460 -4.445 0.441 10 H ALA 2 H ALA 2 -1.141 0.598 -4.530 11 HA ALA 2 HA ALA 2 0.818 2.563 -4.112 12 HB1 ALA 2 HB1 ALA 2 1.592 1.508 -6.689 13 HB2 ALA 2 HB2 ALA 2 2.592 1.948 -5.304 14 HB3 ALA 2 HB3 ALA 2 1.876 0.339 -5.399 15 H ARG 3 H ARG 3 0.194 4.399 -5.095 16 HA ARG 3 HA ARG 3 -0.971 4.588 -7.643 17 HB2 ARG 3 HB2 ARG 3 -2.799 3.931 -5.487 18 HB3 ARG 3 HB3 ARG 3 -3.219 5.464 -6.240 19 HG2 ARG 3 HG2 ARG 3 -3.745 4.501 -8.238 20 HG3 ARG 3 HG3 ARG 3 -2.629 3.154 -8.008 21 HD2 ARG 3 HD2 ARG 3 -5.117 3.496 -6.356 22 HD3 ARG 3 HD3 ARG 3 -5.110 2.621 -7.886 23 HE ARG 3 HE ARG 3 -3.116 1.436 -6.513 24 HH11 ARG 3 HH11 ARG 3 -6.426 2.171 -5.724 25 HH12 ARG 3 HH12 ARG 3 -6.610 0.817 -4.658 26 HH21 ARG 3 HH21 ARG 3 -3.346 -0.350 -5.112 27 HH22 ARG 3 HH22 ARG 3 -4.857 -0.616 -4.311 28 H MET 4 H MET 4 -0.990 6.676 -8.328 29 HA MET 4 HA MET 4 -0.489 8.744 -6.289 30 HB2 MET 4 HB2 MET 4 0.781 9.929 -8.144 31 HB3 MET 4 HB3 MET 4 1.542 8.493 -7.474 32 HG2 MET 4 HG2 MET 4 -0.153 7.861 -9.732 33 HG3 MET 4 HG3 MET 4 1.090 9.040 -10.144 34 HE1 MET 4 HE1 MET 4 0.982 4.913 -8.862 35 HE2 MET 4 HE2 MET 4 -0.043 5.839 -9.957 36 HE3 MET 4 HE3 MET 4 1.319 4.915 -10.593 37 H ASN 5 H ASN 5 -1.947 10.317 -6.197 38 HA ASN 5 HA ASN 5 -3.636 11.741 -6.740 39 HB2 ASN 5 HB2 ASN 5 -2.086 11.463 -9.179 40 HB3 ASN 5 HB3 ASN 5 -3.787 11.760 -9.528 41 HD21 ASN 5 HD21 ASN 5 -4.736 13.513 -8.002 42 HD22 ASN 5 HD22 ASN 5 -3.790 14.954 -7.880 43 H ARG 6 H ARG 6 -5.564 10.942 -6.220 44 HA ARG 6 HA ARG 6 -7.327 9.870 -8.098 45 HB2 ARG 6 HB2 ARG 6 -5.566 7.920 -6.915 46 HB3 ARG 6 HB3 ARG 6 -7.228 7.595 -6.441 47 HG2 ARG 6 HG2 ARG 6 -6.703 8.163 -9.302 48 HG3 ARG 6 HG3 ARG 6 -6.170 6.610 -8.655 49 HD2 ARG 6 HD2 ARG 6 -8.754 6.989 -7.660 50 HD3 ARG 6 HD3 ARG 6 -8.822 7.499 -9.346 51 HE ARG 6 HE ARG 6 -8.617 5.312 -9.960 52 HH11 ARG 6 HH11 ARG 6 -7.515 5.657 -6.676 53 HH12 ARG 6 HH12 ARG 6 -7.299 3.956 -6.431 54 HH21 ARG 6 HH21 ARG 6 -8.336 3.069 -9.651 55 HH22 ARG 6 HH22 ARG 6 -7.765 2.485 -8.125 56 HA PRO 7 HA PRO 7 -9.293 9.413 -3.715 57 HB2 PRO 7 HB2 PRO 7 -7.666 9.743 -1.567 58 HB3 PRO 7 HB3 PRO 7 -7.931 8.175 -2.340 59 HG2 PRO 7 HG2 PRO 7 -5.648 10.084 -2.663 60 HG3 PRO 7 HG3 PRO 7 -5.616 8.319 -2.499 61 HD2 PRO 7 HD2 PRO 7 -5.369 9.564 -4.890 62 HD3 PRO 7 HD3 PRO 7 -6.145 7.977 -4.716 63 H ALA 8 H ALA 8 -10.457 11.142 -3.162 64 HA ALA 8 HA ALA 8 -9.063 13.715 -2.797 65 HB1 ALA 8 HB1 ALA 8 -11.291 14.712 -3.580 66 HB2 ALA 8 HB2 ALA 8 -10.242 13.980 -4.794 67 HB3 ALA 8 HB3 ALA 8 -11.645 13.097 -4.193 68 HA PRO 9 HA PRO 9 -11.051 12.885 1.228 69 HB2 PRO 9 HB2 PRO 9 -9.271 14.367 2.642 70 HB3 PRO 9 HB3 PRO 9 -8.963 12.693 2.166 71 HG2 PRO 9 HG2 PRO 9 -8.014 15.230 0.891 72 HG3 PRO 9 HG3 PRO 9 -7.117 13.733 1.207 73 HD2 PRO 9 HD2 PRO 9 -8.117 14.344 -1.234 74 HD3 PRO 9 HD3 PRO 9 -7.983 12.674 -0.647 75 H VAL 10 H VAL 10 -11.100 14.820 3.113 76 HA VAL 10 HA VAL 10 -12.234 17.183 1.769 77 HB VAL 10 HB VAL 10 -13.439 15.526 3.964 78 HG11 VAL 10 HG11 VAL 10 -15.087 17.389 4.265 79 HG12 VAL 10 HG12 VAL 10 -13.471 17.725 4.888 80 HG13 VAL 10 HG13 VAL 10 -13.989 18.424 3.354 81 HG21 VAL 10 HG21 VAL 10 -15.490 16.052 2.478 82 HG22 VAL 10 HG22 VAL 10 -14.292 16.521 1.271 83 HG23 VAL 10 HG23 VAL 10 -14.304 14.877 1.909 84 H GLU 11 H GLU 11 -11.221 18.973 2.366 85 HA GLU 11 HA GLU 11 -9.739 19.004 4.890 86 HB2 GLU 11 HB2 GLU 11 -8.269 19.734 3.281 87 HB3 GLU 11 HB3 GLU 11 -9.532 20.480 2.312 88 HG2 GLU 11 HG2 GLU 11 -9.668 22.339 3.836 89 HG3 GLU 11 HG3 GLU 11 -8.511 21.573 4.922 90 H VAL 12 H VAL 12 -10.573 19.964 6.610 91 HA VAL 12 HA VAL 12 -12.669 21.995 6.217 92 HB VAL 12 HB VAL 12 -13.611 20.185 7.413 93 HG11 VAL 12 HG11 VAL 12 -11.516 19.064 8.013 94 HG12 VAL 12 HG12 VAL 12 -11.226 20.279 9.260 95 HG13 VAL 12 HG13 VAL 12 -12.606 19.188 9.394 96 HG21 VAL 12 HG21 VAL 12 -14.295 21.191 9.445 97 HG22 VAL 12 HG22 VAL 12 -12.799 22.116 9.575 98 HG23 VAL 12 HG23 VAL 12 -13.976 22.513 8.323 99 H SER 13 H SER 13 -11.783 23.960 6.347 100 HA SER 13 HA SER 13 -9.617 24.457 8.242 101 HB2 SER 13 HB2 SER 13 -8.957 26.149 6.876 102 HB3 SER 13 HB3 SER 13 -9.953 25.312 5.686 103 HG SER 13 HG SER 13 -11.561 26.758 5.997 104 H TYR 14 H TYR 14 -9.981 25.310 10.172 105 HA TYR 14 HA TYR 14 -12.602 26.478 10.736 106 HB2 TYR 14 HB2 TYR 14 -10.978 24.724 12.159 107 HB3 TYR 14 HB3 TYR 14 -10.802 26.254 13.011 108 HD1 TYR 14 HD2 TYR 14 -13.698 24.593 11.324 109 HD2 TYR 14 HD1 TYR 14 -12.114 26.253 14.907 110 HE1 TYR 14 HE2 TYR 14 -15.852 24.210 12.446 111 HE2 TYR 14 HE1 TYR 14 -14.264 25.873 16.040 112 HH TYR 14 HH TYR 14 -17.052 24.547 14.294 113 H LYS 15 H LYS 15 -11.952 28.030 12.944 114 HA LYS 15 HA LYS 15 -11.433 30.510 11.850 115 HB2 LYS 15 HB2 LYS 15 -10.999 31.266 14.176 116 HB3 LYS 15 HB3 LYS 15 -12.455 30.292 14.027 117 HG2 LYS 15 HG2 LYS 15 -10.888 28.328 14.695 118 HG3 LYS 15 HG3 LYS 15 -9.848 29.615 15.308 119 HD2 LYS 15 HD2 LYS 15 -12.751 29.544 16.035 120 HD3 LYS 15 HD3 LYS 15 -11.595 28.520 16.889 121 HE2 LYS 15 HE2 LYS 15 -11.437 31.521 16.613 122 HE3 LYS 15 HE3 LYS 15 -11.954 30.644 18.053 123 HZ1 LYS 15 HZ1 LYS 15 -9.721 31.177 18.416 124 HZ2 LYS 15 HZ2 LYS 15 -9.255 30.751 16.848 125 HZ3 LYS 15 HZ3 LYS 15 -9.689 29.549 17.957 126 H HIS 16 H HIS 16 -9.157 28.382 13.570 127 HA HIS 16 HA HIS 16 -6.964 29.619 12.085 128 HB2 HIS 16 HB2 HIS 16 -7.427 30.479 14.606 129 HB3 HIS 16 HB3 HIS 16 -6.385 29.099 14.941 130 HD1 HIS 16 HD1 HIS 16 -4.144 30.045 15.392 131 HD2 HIS 16 HD2 HIS 16 -5.958 31.851 12.120 132 HE1 HIS 16 HE1 HIS 16 -2.424 31.623 14.455 133 H MET 17 H MET 17 -8.383 27.020 12.063 134 HA MET 17 HA MET 17 -6.008 25.325 12.341 135 HB2 MET 17 HB2 MET 17 -8.682 24.216 13.107 136 HB3 MET 17 HB3 MET 17 -7.077 23.654 13.554 137 HG2 MET 17 HG2 MET 17 -8.181 26.269 14.521 138 HG3 MET 17 HG3 MET 17 -8.476 24.749 15.363 139 HE1 MET 17 HE1 MET 17 -7.423 27.239 16.517 140 HE2 MET 17 HE2 MET 17 -6.928 26.059 17.731 141 HE3 MET 17 HE3 MET 17 -5.752 27.202 17.081 142 H ARG 18 H ARG 18 -6.563 23.067 11.323 143 HA ARG 18 HA ARG 18 -8.470 23.074 9.188 144 HB2 ARG 18 HB2 ARG 18 -6.351 24.478 8.472 145 HB3 ARG 18 HB3 ARG 18 -5.653 22.885 8.210 146 HG2 ARG 18 HG2 ARG 18 -7.274 22.342 6.575 147 HG3 ARG 18 HG3 ARG 18 -8.262 23.743 6.993 148 HD2 ARG 18 HD2 ARG 18 -5.455 23.984 5.939 149 HD3 ARG 18 HD3 ARG 18 -6.867 23.928 4.884 150 HE ARG 18 HE ARG 18 -7.012 25.932 6.948 151 HH11 ARG 18 HH11 ARG 18 -5.958 25.200 3.712 152 HH12 ARG 18 HH12 ARG 18 -5.968 26.853 3.195 153 HH21 ARG 18 HH21 ARG 18 -7.028 28.112 6.279 154 HH22 ARG 18 HH22 ARG 18 -6.575 28.509 4.656 155 H PHE 19 H PHE 19 -9.170 21.052 9.216 156 HA PHE 19 HA PHE 19 -7.230 18.894 9.724 157 HB2 PHE 19 HB2 PHE 19 -10.141 19.158 10.452 158 HB3 PHE 19 HB3 PHE 19 -9.333 17.593 10.423 159 HD1 PHE 19 HD1 PHE 19 -8.627 21.016 11.743 160 HD2 PHE 19 HD2 PHE 19 -8.632 16.820 12.455 161 HE1 PHE 19 HE1 PHE 19 -7.800 21.407 14.027 162 HE2 PHE 19 HE2 PHE 19 -7.806 17.204 14.741 163 HZ PHE 19 HZ PHE 19 -7.390 19.499 15.530 164 H LEU 20 H LEU 20 -7.998 16.736 8.790 165 HA LEU 20 HA LEU 20 -9.273 17.119 6.169 166 HB2 LEU 20 HB2 LEU 20 -6.540 16.460 6.680 167 HB3 LEU 20 HB3 LEU 20 -7.331 15.084 5.913 168 HG LEU 20 HG LEU 20 -6.330 16.377 4.192 169 HD11 LEU 20 HD11 LEU 20 -8.106 16.074 2.905 170 HD12 LEU 20 HD12 LEU 20 -8.867 17.519 3.569 171 HD13 LEU 20 HD13 LEU 20 -9.114 15.956 4.347 172 HD21 LEU 20 HD21 LEU 20 -6.669 18.730 3.886 173 HD22 LEU 20 HD22 LEU 20 -6.111 18.459 5.537 174 HD23 LEU 20 HD23 LEU 20 -7.816 18.788 5.224 175 H ILE 21 H ILE 21 -11.111 16.004 6.371 176 HA ILE 21 HA ILE 21 -11.212 13.546 7.906 177 HB ILE 21 HB ILE 21 -13.661 13.696 6.764 178 HG12 ILE 21 HG12 ILE 21 -12.720 15.891 5.679 179 HG13 ILE 21 HG13 ILE 21 -14.360 15.859 6.318 180 HG21 ILE 21 HG21 ILE 21 -14.350 14.892 8.851 181 HG22 ILE 21 HG22 ILE 21 -13.325 13.483 9.114 182 HG23 ILE 21 HG23 ILE 21 -12.639 15.105 9.221 183 HD11 ILE 21 HD11 ILE 21 -12.807 17.851 6.862 184 HD12 ILE 21 HD12 ILE 21 -13.813 17.163 8.137 185 HD13 ILE 21 HD13 ILE 21 -12.100 16.753 8.047 186 H THR 22 H THR 22 -10.785 11.630 7.058 187 HA THR 22 HA THR 22 -10.277 11.191 4.327 188 HB THR 22 HB THR 22 -11.035 8.782 5.806 189 HG1 THR 22 HG1 THR 22 -9.577 8.989 7.445 190 HG21 THR 22 HG21 THR 22 -8.401 8.558 5.287 191 HG22 THR 22 HG22 THR 22 -8.840 9.790 4.104 192 HG23 THR 22 HG23 THR 22 -9.657 8.227 4.095 193 H HIS 23 H HIS 23 -11.459 10.239 2.705 194 HA HIS 23 HA HIS 23 -14.355 10.236 3.103 195 HB2 HIS 23 HB2 HIS 23 -13.119 11.454 1.177 196 HB3 HIS 23 HB3 HIS 23 -12.982 9.852 0.457 197 HD1 HIS 23 HD1 HIS 23 -14.591 10.107 -1.453 198 HD2 HIS 23 HD2 HIS 23 -16.251 11.204 2.194 199 HE1 HIS 23 HE1 HIS 23 -17.037 10.471 -1.910 200 H ASN 24 H ASN 24 -11.873 8.174 1.586 201 HA ASN 24 HA ASN 24 -13.564 5.964 1.161 202 HB2 ASN 24 HB2 ASN 24 -10.719 6.556 0.933 203 HB3 ASN 24 HB3 ASN 24 -11.015 4.902 1.463 204 HD21 ASN 24 HD21 ASN 24 -10.813 3.627 -0.226 205 HD22 ASN 24 HD22 ASN 24 -11.511 3.887 -1.785 206 HA PRO 25 HA PRO 25 -13.880 3.954 5.047 207 HB2 PRO 25 HB2 PRO 25 -13.635 1.335 4.377 208 HB3 PRO 25 HB3 PRO 25 -15.067 2.296 3.989 209 HG2 PRO 25 HG2 PRO 25 -12.746 1.567 2.245 210 HG3 PRO 25 HG3 PRO 25 -14.477 1.570 1.860 211 HD2 PRO 25 HD2 PRO 25 -12.813 3.570 1.109 212 HD3 PRO 25 HD3 PRO 25 -14.521 3.847 1.505 213 H THR 26 H THR 26 -11.717 4.957 5.603 214 HA THR 26 HA THR 26 -9.669 4.805 6.586 215 HB THR 26 HB THR 26 -9.600 1.895 6.893 216 HG1 THR 26 HG1 THR 26 -11.561 1.602 7.640 217 HG21 THR 26 HG21 THR 26 -9.031 2.411 9.101 218 HG22 THR 26 HG22 THR 26 -9.880 3.956 9.058 219 HG23 THR 26 HG23 THR 26 -8.365 3.758 8.179 220 H ASN 27 H ASN 27 -7.483 3.613 6.450 221 HA ASN 27 HA ASN 27 -6.793 3.445 3.665 222 HB2 ASN 27 HB2 ASN 27 -4.470 2.987 4.624 223 HB3 ASN 27 HB3 ASN 27 -5.195 4.541 5.024 224 HD21 ASN 27 HD21 ASN 27 -4.170 1.466 6.211 225 HD22 ASN 27 HD22 ASN 27 -4.352 1.817 7.893 226 H ALA 28 H ALA 28 -7.041 1.659 2.511 227 HA ALA 28 HA ALA 28 -7.234 -0.932 3.784 228 HB1 ALA 28 HB1 ALA 28 -8.560 -1.347 2.057 229 HB2 ALA 28 HB2 ALA 28 -8.171 0.231 1.370 230 HB3 ALA 28 HB3 ALA 28 -7.192 -1.177 0.957 231 H THR 29 H THR 29 -4.924 0.869 1.876 232 HA THR 29 HA THR 29 -3.066 -1.415 2.050 233 HB THR 29 HB THR 29 -3.360 -1.162 -0.247 234 HG1 THR 29 HG1 THR 29 -1.093 -0.806 0.584 235 HG21 THR 29 HG21 THR 29 -3.272 1.834 0.140 236 HG22 THR 29 HG22 THR 29 -4.713 0.871 -0.188 237 HG23 THR 29 HG23 THR 29 -3.444 1.002 -1.405 238 H LEU 30 H LEU 30 -3.632 1.921 2.707 239 HA LEU 30 HA LEU 30 -2.478 3.457 3.926 240 HB2 LEU 30 HB2 LEU 30 -2.033 1.364 5.318 241 HB3 LEU 30 HB3 LEU 30 -0.453 1.324 4.539 242 HG LEU 30 HG LEU 30 -0.147 3.698 5.448 243 HD11 LEU 30 HD11 LEU 30 -1.552 4.548 7.020 244 HD12 LEU 30 HD12 LEU 30 -2.082 2.959 7.571 245 HD13 LEU 30 HD13 LEU 30 -2.722 3.630 6.071 246 HD21 LEU 30 HD21 LEU 30 1.021 2.826 7.181 247 HD22 LEU 30 HD22 LEU 30 0.639 1.310 6.364 248 HD23 LEU 30 HD23 LEU 30 -0.330 1.839 7.741 249 H SER 31 H SER 31 -1.589 2.313 1.120 250 HA SER 31 HA SER 31 1.126 3.324 0.980 251 HB2 SER 31 HB2 SER 31 0.522 1.325 -0.312 252 HB3 SER 31 HB3 SER 31 -0.690 2.253 -1.195 253 HG SER 31 HG SER 31 0.926 3.447 -2.138 254 H THR 32 H THR 32 -1.782 3.984 -0.976 255 HA THR 32 HA THR 32 -0.805 6.536 -1.805 256 HB THR 32 HB THR 32 -3.526 5.252 -2.078 257 HG1 THR 32 HG1 THR 32 -1.432 4.624 -3.294 258 HG21 THR 32 HG21 THR 32 -3.827 7.656 -2.081 259 HG22 THR 32 HG22 THR 32 -3.996 7.042 -3.726 260 HG23 THR 32 HG23 THR 32 -2.508 7.850 -3.234 261 H PHE 33 H PHE 33 -2.873 5.397 0.762 262 HA PHE 33 HA PHE 33 -4.291 7.648 1.452 263 HB2 PHE 33 HB2 PHE 33 -4.849 5.843 2.767 264 HB3 PHE 33 HB3 PHE 33 -3.173 5.359 3.000 265 HD1 PHE 33 HD1 PHE 33 -5.328 8.303 3.799 266 HD2 PHE 33 HD2 PHE 33 -2.375 5.544 5.134 267 HE1 PHE 33 HE1 PHE 33 -5.333 9.374 6.015 268 HE2 PHE 33 HE2 PHE 33 -2.376 6.610 7.351 269 HZ PHE 33 HZ PHE 33 -3.857 8.527 7.794 270 H ILE 34 H ILE 34 -1.017 6.779 2.544 271 HA ILE 34 HA ILE 34 -0.533 9.015 4.130 272 HB ILE 34 HB ILE 34 1.526 7.553 2.478 273 HG12 ILE 34 HG12 ILE 34 0.653 6.935 5.303 274 HG13 ILE 34 HG13 ILE 34 0.044 6.076 3.894 275 HG21 ILE 34 HG21 ILE 34 2.642 8.252 4.897 276 HG22 ILE 34 HG22 ILE 34 2.885 9.084 3.362 277 HG23 ILE 34 HG23 ILE 34 1.650 9.651 4.486 278 HD11 ILE 34 HD11 ILE 34 2.091 5.075 3.468 279 HD12 ILE 34 HD12 ILE 34 2.978 6.257 4.431 280 HD13 ILE 34 HD13 ILE 34 1.973 5.046 5.227 281 H GLU 35 H GLU 35 -0.143 8.558 0.655 282 HA GLU 35 HA GLU 35 1.187 11.011 0.160 283 HB2 GLU 35 HB2 GLU 35 -0.552 9.537 -1.812 284 HB3 GLU 35 HB3 GLU 35 0.825 10.575 -2.150 285 HG2 GLU 35 HG2 GLU 35 1.766 8.519 -0.481 286 HG3 GLU 35 HG3 GLU 35 0.752 7.757 -1.705 287 H ASP 36 H ASP 36 -2.175 10.095 0.427 288 HA ASP 36 HA ASP 36 -3.321 12.383 -0.755 289 HB2 ASP 36 HB2 ASP 36 -4.540 10.769 1.487 290 HB3 ASP 36 HB3 ASP 36 -5.380 11.691 0.243 291 H LEU 37 H LEU 37 -2.623 11.614 2.648 292 HA LEU 37 HA LEU 37 -3.437 14.202 3.570 293 HB2 LEU 37 HB2 LEU 37 -2.666 13.479 5.732 294 HB3 LEU 37 HB3 LEU 37 -3.592 12.189 4.968 295 HG LEU 37 HG LEU 37 -1.208 11.332 4.262 296 HD11 LEU 37 HD11 LEU 37 0.438 12.615 5.044 297 HD12 LEU 37 HD12 LEU 37 0.068 11.924 6.624 298 HD13 LEU 37 HD13 LEU 37 -0.637 13.470 6.152 299 HD21 LEU 37 HD21 LEU 37 -3.051 10.685 6.227 300 HD22 LEU 37 HD22 LEU 37 -1.512 10.761 7.086 301 HD23 LEU 37 HD23 LEU 37 -1.692 9.696 5.692 302 H LYS 38 H LYS 38 -0.534 12.836 2.333 303 HA LYS 38 HA LYS 38 1.212 14.829 3.486 304 HB2 LYS 38 HB2 LYS 38 1.544 12.491 1.662 305 HB3 LYS 38 HB3 LYS 38 2.782 13.740 1.648 306 HG2 LYS 38 HG2 LYS 38 2.487 13.314 4.314 307 HG3 LYS 38 HG3 LYS 38 2.180 11.703 3.662 308 HD2 LYS 38 HD2 LYS 38 4.505 13.186 2.574 309 HD3 LYS 38 HD3 LYS 38 4.635 12.585 4.229 310 HE2 LYS 38 HE2 LYS 38 4.568 10.392 3.581 311 HE3 LYS 38 HE3 LYS 38 3.615 10.734 2.138 312 HZ1 LYS 38 HZ1 LYS 38 6.435 10.521 2.418 313 HZ2 LYS 38 HZ2 LYS 38 6.015 12.018 1.753 314 HZ3 LYS 38 HZ3 LYS 38 5.502 10.588 1.008 315 H LYS 39 H LYS 39 -0.396 14.233 0.418 316 HA LYS 39 HA LYS 39 0.933 16.347 -0.981 317 HB2 LYS 39 HB2 LYS 39 -0.580 15.884 -2.782 318 HB3 LYS 39 HB3 LYS 39 -0.093 14.346 -2.082 319 HG2 LYS 39 HG2 LYS 39 -2.203 14.244 -0.846 320 HG3 LYS 39 HG3 LYS 39 -2.693 15.778 -1.570 321 HD2 LYS 39 HD2 LYS 39 -1.981 13.335 -3.183 322 HD3 LYS 39 HD3 LYS 39 -3.627 13.714 -2.669 323 HE2 LYS 39 HE2 LYS 39 -1.870 15.514 -4.335 324 HE3 LYS 39 HE3 LYS 39 -3.134 14.464 -4.973 325 HZ1 LYS 39 HZ1 LYS 39 -4.214 16.029 -2.910 326 HZ2 LYS 39 HZ2 LYS 39 -4.615 16.034 -4.553 327 HZ3 LYS 39 HZ3 LYS 39 -3.396 17.056 -3.977 328 H TYR 40 H TYR 40 -2.111 16.010 0.760 329 HA TYR 40 HA TYR 40 -3.208 18.506 0.000 330 HB2 TYR 40 HB2 TYR 40 -3.814 16.406 1.982 331 HB3 TYR 40 HB3 TYR 40 -4.364 18.021 2.415 332 HD1 TYR 40 HD2 TYR 40 -4.333 15.820 -0.613 333 HD2 TYR 40 HD1 TYR 40 -6.518 18.552 1.809 334 HE1 TYR 40 HE2 TYR 40 -6.293 15.538 -2.072 335 HE2 TYR 40 HE1 TYR 40 -8.484 18.277 0.356 336 HH TYR 40 HH TYR 40 -8.380 16.156 -2.493 337 H GLY 41 H GLY 41 -0.605 17.731 1.996 338 HA2 GLY 41 HA2 GLY 41 0.838 19.243 3.033 339 HA3 GLY 41 HA3 GLY 41 -0.385 20.493 2.856 340 H ALA 42 H ALA 42 -0.913 17.339 4.322 341 HA ALA 42 HA ALA 42 -1.464 18.709 6.869 342 HB1 ALA 42 HB1 ALA 42 -2.557 16.116 5.787 343 HB2 ALA 42 HB2 ALA 42 -2.899 16.762 7.392 344 HB3 ALA 42 HB3 ALA 42 -3.423 17.643 5.958 345 H THR 43 H THR 43 0.019 18.445 8.390 346 HA THR 43 HA THR 43 1.919 16.252 8.227 347 HB THR 43 HB THR 43 3.107 17.372 10.045 348 HG1 THR 43 HG1 THR 43 2.268 19.275 10.939 349 HG21 THR 43 HG21 THR 43 3.893 19.196 8.821 350 HG22 THR 43 HG22 THR 43 2.303 19.550 8.145 351 HG23 THR 43 HG23 THR 43 3.209 18.146 7.581 352 H THR 44 H THR 44 -0.649 15.353 8.770 353 HA THR 44 HA THR 44 -0.209 14.035 11.309 354 HB THR 44 HB THR 44 -2.943 14.785 11.418 355 HG1 THR 44 HG1 THR 44 -1.299 17.093 11.428 356 HG21 THR 44 HG21 THR 44 -1.149 14.241 13.223 357 HG22 THR 44 HG22 THR 44 -2.432 15.392 13.599 358 HG23 THR 44 HG23 THR 44 -0.824 15.973 13.169 359 H VAL 45 H VAL 45 -1.073 12.017 11.364 360 HA VAL 45 HA VAL 45 -2.280 11.042 8.910 361 HB VAL 45 HB VAL 45 -1.791 9.312 11.303 362 HG11 VAL 45 HG11 VAL 45 -2.692 8.011 9.653 363 HG12 VAL 45 HG12 VAL 45 -2.000 8.985 8.354 364 HG13 VAL 45 HG13 VAL 45 -0.981 7.862 9.254 365 HG21 VAL 45 HG21 VAL 45 0.327 10.313 9.404 366 HG22 VAL 45 HG22 VAL 45 0.232 10.631 11.136 367 HG23 VAL 45 HG23 VAL 45 0.541 8.994 10.555 368 H VAL 46 H VAL 46 -4.290 10.092 8.731 369 HA VAL 46 HA VAL 46 -6.276 11.010 10.601 370 HB VAL 46 HB VAL 46 -7.893 10.353 9.059 371 HG11 VAL 46 HG11 VAL 46 -6.820 10.853 6.755 372 HG12 VAL 46 HG12 VAL 46 -6.803 12.104 7.999 373 HG13 VAL 46 HG13 VAL 46 -5.354 11.148 7.689 374 HG21 VAL 46 HG21 VAL 46 -6.017 8.168 8.500 375 HG22 VAL 46 HG22 VAL 46 -7.781 8.181 8.490 376 HG23 VAL 46 HG23 VAL 46 -6.888 8.769 7.088 377 H ARG 47 H ARG 47 -4.521 9.261 11.867 378 HA ARG 47 HA ARG 47 -5.486 6.595 11.957 379 HB2 ARG 47 HB2 ARG 47 -4.130 7.797 14.324 380 HB3 ARG 47 HB3 ARG 47 -3.891 6.224 13.574 381 HG2 ARG 47 HG2 ARG 47 -3.032 7.868 11.601 382 HG3 ARG 47 HG3 ARG 47 -2.584 8.792 13.036 383 HD2 ARG 47 HD2 ARG 47 -0.862 7.442 13.420 384 HD3 ARG 47 HD3 ARG 47 -1.923 6.033 13.422 385 HE ARG 47 HE ARG 47 -0.139 6.793 11.365 386 HH11 ARG 47 HH11 ARG 47 -3.315 5.462 11.876 387 HH12 ARG 47 HH12 ARG 47 -3.333 4.589 10.380 388 HH21 ARG 47 HH21 ARG 47 -0.150 5.649 9.392 389 HH22 ARG 47 HH22 ARG 47 -1.532 4.695 8.968 390 H VAL 48 H VAL 48 -7.042 9.321 12.794 391 HA VAL 48 HA VAL 48 -8.109 8.727 15.349 392 HB VAL 48 HB VAL 48 -9.306 10.412 13.144 393 HG11 VAL 48 HG11 VAL 48 -10.037 9.967 16.005 394 HG12 VAL 48 HG12 VAL 48 -10.334 11.538 15.259 395 HG13 VAL 48 HG13 VAL 48 -11.077 10.086 14.586 396 HG21 VAL 48 HG21 VAL 48 -8.375 12.253 14.729 397 HG22 VAL 48 HG22 VAL 48 -7.305 10.971 15.295 398 HG23 VAL 48 HG23 VAL 48 -7.288 11.448 13.597 399 H CYS 49 H CYS 49 -8.542 6.419 15.000 400 HA CYS 49 HA CYS 49 -11.265 5.879 14.725 401 HB2 CYS 49 HB2 CYS 49 -11.413 4.708 12.630 402 HB3 CYS 49 HB3 CYS 49 -10.769 6.314 12.310 403 HG CYS 49 HG CYS 49 -8.380 5.603 11.477 404 H GLU 50 H GLU 50 -11.230 3.235 13.846 405 HA GLU 50 HA GLU 50 -10.118 1.943 16.134 406 HB2 GLU 50 HB2 GLU 50 -12.243 1.271 14.960 407 HB3 GLU 50 HB3 GLU 50 -11.247 0.631 13.661 408 HG2 GLU 50 HG2 GLU 50 -12.003 -1.098 15.232 409 HG3 GLU 50 HG3 GLU 50 -10.247 -0.971 15.145 410 H VAL 51 H VAL 51 -7.908 2.906 15.383 411 HA VAL 51 HA VAL 51 -6.533 1.283 13.411 412 HB VAL 51 HB VAL 51 -4.566 2.674 13.940 413 HG11 VAL 51 HG11 VAL 51 -6.917 4.502 13.580 414 HG12 VAL 51 HG12 VAL 51 -5.316 4.595 12.842 415 HG13 VAL 51 HG13 VAL 51 -6.452 3.344 12.334 416 HG21 VAL 51 HG21 VAL 51 -6.230 3.399 16.230 417 HG22 VAL 51 HG22 VAL 51 -4.480 3.477 16.031 418 HG23 VAL 51 HG23 VAL 51 -5.495 4.782 15.418 419 H THR 52 H THR 52 -4.935 -0.201 13.814 420 HA THR 52 HA THR 52 -4.083 -0.723 16.541 421 HB THR 52 HB THR 52 -4.718 -3.074 16.527 422 HG1 THR 52 HG1 THR 52 -5.694 -3.999 14.822 423 HG21 THR 52 HG21 THR 52 -7.127 -2.835 16.795 424 HG22 THR 52 HG22 THR 52 -7.092 -1.311 15.907 425 HG23 THR 52 HG23 THR 52 -6.295 -1.437 17.475 426 H TYR 53 H TYR 53 -2.599 0.221 14.405 427 HA TYR 53 HA TYR 53 -0.761 -2.025 13.985 428 HB2 TYR 53 HB2 TYR 53 -0.927 -1.988 11.752 429 HB3 TYR 53 HB3 TYR 53 -2.343 -0.961 11.947 430 HD1 TYR 53 HD2 TYR 53 -1.714 1.621 12.342 431 HD2 TYR 53 HD1 TYR 53 0.734 -1.231 10.348 432 HE1 TYR 53 HE2 TYR 53 -0.557 3.445 11.166 433 HE2 TYR 53 HE1 TYR 53 1.898 0.585 9.167 434 HH TYR 53 HH TYR 53 0.747 3.690 8.980 435 H ASP 54 H ASP 54 1.434 -1.420 13.674 436 HA ASP 54 HA ASP 54 2.149 0.976 15.107 437 HB2 ASP 54 HB2 ASP 54 3.587 -1.427 14.094 438 HB3 ASP 54 HB3 ASP 54 4.532 0.035 14.363 439 H LYS 55 H LYS 55 2.680 2.878 14.262 440 HA LYS 55 HA LYS 55 2.510 3.352 11.468 441 HB2 LYS 55 HB2 LYS 55 3.443 5.654 12.180 442 HB3 LYS 55 HB3 LYS 55 1.860 5.170 12.776 443 HG2 LYS 55 HG2 LYS 55 4.003 4.343 14.549 444 HG3 LYS 55 HG3 LYS 55 3.971 6.089 14.290 445 HD2 LYS 55 HD2 LYS 55 2.087 6.336 15.477 446 HD3 LYS 55 HD3 LYS 55 1.325 4.936 14.720 447 HE2 LYS 55 HE2 LYS 55 1.858 3.590 16.428 448 HE3 LYS 55 HE3 LYS 55 3.498 4.229 16.532 449 HZ1 LYS 55 HZ1 LYS 55 1.342 4.742 18.227 450 HZ2 LYS 55 HZ2 LYS 55 1.709 6.191 17.436 451 HZ3 LYS 55 HZ3 LYS 55 2.907 5.378 18.311 452 H THR 56 H THR 56 4.015 2.535 10.145 453 HA THR 56 HA THR 56 6.836 2.659 10.929 454 HB THR 56 HB THR 56 7.047 0.698 9.898 455 HG1 THR 56 HG1 THR 56 7.527 1.427 7.926 456 HG21 THR 56 HG21 THR 56 4.158 1.002 9.065 457 HG22 THR 56 HG22 THR 56 4.722 0.332 10.596 458 HG23 THR 56 HG23 THR 56 5.079 -0.501 9.083 459 HA PRO 57 HA PRO 57 6.837 4.802 6.595 460 HB2 PRO 57 HB2 PRO 57 4.423 5.390 5.500 461 HB3 PRO 57 HB3 PRO 57 5.258 3.858 5.218 462 HG2 PRO 57 HG2 PRO 57 3.035 4.481 7.123 463 HG3 PRO 57 HG3 PRO 57 3.242 3.071 6.069 464 HD2 PRO 57 HD2 PRO 57 3.820 3.010 8.713 465 HD3 PRO 57 HD3 PRO 57 4.711 2.045 7.518 466 H LEU 58 H LEU 58 3.637 5.956 7.608 467 HA LEU 58 HA LEU 58 4.147 8.647 7.454 468 HB2 LEU 58 HB2 LEU 58 2.221 9.006 8.800 469 HB3 LEU 58 HB3 LEU 58 1.931 7.573 7.815 470 HG LEU 58 HG LEU 58 1.040 7.175 9.993 471 HD11 LEU 58 HD11 LEU 58 2.432 5.387 8.793 472 HD12 LEU 58 HD12 LEU 58 2.053 5.138 10.497 473 HD13 LEU 58 HD13 LEU 58 3.653 5.707 10.025 474 HD21 LEU 58 HD21 LEU 58 3.596 7.350 11.437 475 HD22 LEU 58 HD22 LEU 58 1.969 7.807 11.942 476 HD23 LEU 58 HD23 LEU 58 2.914 8.892 10.921 477 H GLU 59 H GLU 59 5.316 6.424 9.778 478 HA GLU 59 HA GLU 59 5.764 8.245 11.919 479 HB2 GLU 59 HB2 GLU 59 5.724 5.975 12.528 480 HB3 GLU 59 HB3 GLU 59 6.829 5.518 11.239 481 HG2 GLU 59 HG2 GLU 59 7.925 5.404 13.392 482 HG3 GLU 59 HG3 GLU 59 8.653 6.657 12.389 483 H LYS 60 H LYS 60 7.970 6.805 9.517 484 HA LYS 60 HA LYS 60 10.168 8.459 10.260 485 HB2 LYS 60 HB2 LYS 60 9.791 6.968 7.660 486 HB3 LYS 60 HB3 LYS 60 11.311 7.498 8.368 487 HG2 LYS 60 HG2 LYS 60 9.473 5.355 9.408 488 HG3 LYS 60 HG3 LYS 60 11.079 5.143 8.707 489 HD2 LYS 60 HD2 LYS 60 12.070 6.360 10.569 490 HD3 LYS 60 HD3 LYS 60 10.469 6.640 11.257 491 HE2 LYS 60 HE2 LYS 60 10.855 4.776 12.435 492 HE3 LYS 60 HE3 LYS 60 10.491 3.925 10.934 493 HZ1 LYS 60 HZ1 LYS 60 12.608 3.260 12.038 494 HZ2 LYS 60 HZ2 LYS 60 13.222 4.797 11.693 495 HZ3 LYS 60 HZ3 LYS 60 12.787 3.758 10.431 496 H ASP 61 H ASP 61 7.418 8.931 8.295 497 HA ASP 61 HA ASP 61 8.536 10.886 6.528 498 HB2 ASP 61 HB2 ASP 61 5.967 9.604 6.934 499 HB3 ASP 61 HB3 ASP 61 5.779 11.334 6.662 500 H GLY 62 H GLY 62 7.925 10.951 9.778 501 HA2 GLY 62 HA2 GLY 62 8.027 12.686 11.291 502 HA3 GLY 62 HA3 GLY 62 8.299 13.777 9.941 503 H ILE 63 H ILE 63 5.513 11.683 10.071 504 HA ILE 63 HA ILE 63 3.809 14.061 10.262 505 HB ILE 63 HB ILE 63 3.198 11.265 9.302 506 HG12 ILE 63 HG12 ILE 63 2.927 13.758 7.669 507 HG13 ILE 63 HG13 ILE 63 4.528 13.067 7.913 508 HG21 ILE 63 HG21 ILE 63 0.981 12.134 8.701 509 HG22 ILE 63 HG22 ILE 63 1.259 12.177 10.442 510 HG23 ILE 63 HG23 ILE 63 1.374 13.659 9.494 511 HD11 ILE 63 HD11 ILE 63 2.260 12.085 6.311 512 HD12 ILE 63 HD12 ILE 63 3.997 11.967 6.025 513 HD13 ILE 63 HD13 ILE 63 3.213 10.867 7.158 514 H THR 64 H THR 64 2.509 14.421 11.952 515 HA THR 64 HA THR 64 2.790 12.984 14.349 516 HB THR 64 HB THR 64 0.811 15.061 13.444 517 HG1 THR 64 HG1 THR 64 2.523 15.279 15.661 518 HG21 THR 64 HG21 THR 64 0.888 13.640 16.107 519 HG22 THR 64 HG22 THR 64 -0.446 13.667 14.954 520 HG23 THR 64 HG23 THR 64 0.015 15.141 15.804 521 H VAL 65 H VAL 65 1.886 11.159 15.029 522 HA VAL 65 HA VAL 65 -0.145 9.864 13.431 523 HB VAL 65 HB VAL 65 1.244 8.214 14.136 524 HG11 VAL 65 HG11 VAL 65 2.252 8.254 16.510 525 HG12 VAL 65 HG12 VAL 65 2.869 9.394 15.312 526 HG13 VAL 65 HG13 VAL 65 1.725 9.937 16.540 527 HG21 VAL 65 HG21 VAL 65 -1.126 7.984 15.201 528 HG22 VAL 65 HG22 VAL 65 0.155 6.860 15.655 529 HG23 VAL 65 HG23 VAL 65 -0.256 8.205 16.719 530 H VAL 66 H VAL 66 -2.180 10.542 13.677 531 HA VAL 66 HA VAL 66 -3.150 11.204 16.368 532 HB VAL 66 HB VAL 66 -4.587 11.713 13.767 533 HG11 VAL 66 HG11 VAL 66 -5.701 11.734 16.129 534 HG12 VAL 66 HG12 VAL 66 -4.902 13.301 16.275 535 HG13 VAL 66 HG13 VAL 66 -6.055 13.016 14.971 536 HG21 VAL 66 HG21 VAL 66 -2.671 13.504 15.254 537 HG22 VAL 66 HG22 VAL 66 -2.479 12.864 13.622 538 HG23 VAL 66 HG23 VAL 66 -3.746 14.042 13.963 539 H ASP 67 H ASP 67 -3.463 9.088 17.122 540 HA ASP 67 HA ASP 67 -5.558 7.547 15.742 541 HB2 ASP 67 HB2 ASP 67 -4.647 5.698 17.367 542 HB3 ASP 67 HB3 ASP 67 -3.776 6.079 15.884 543 H TRP 68 H TRP 68 -7.503 7.555 16.635 544 HA TRP 68 HA TRP 68 -7.775 7.585 19.537 545 HB2 TRP 68 HB2 TRP 68 -9.235 9.581 17.795 546 HB3 TRP 68 HB3 TRP 68 -9.361 9.422 19.544 547 HD1 TRP 68 HD1 TRP 68 -7.795 11.572 17.125 548 HE1 TRP 68 HE1 TRP 68 -5.746 12.790 18.096 549 HE3 TRP 68 HE3 TRP 68 -7.062 8.723 21.306 550 HZ2 TRP 68 HZ2 TRP 68 -4.044 12.572 20.337 551 HZ3 TRP 68 HZ3 TRP 68 -5.201 9.294 22.811 552 HH2 TRP 68 HH2 TRP 68 -3.724 11.179 22.334 553 HA PRO 69 HA PRO 69 -10.998 4.719 18.691 554 HB2 PRO 69 HB2 PRO 69 -12.487 5.007 20.943 555 HB3 PRO 69 HB3 PRO 69 -10.921 4.187 20.925 556 HG2 PRO 69 HG2 PRO 69 -11.583 6.987 21.750 557 HG3 PRO 69 HG3 PRO 69 -10.507 5.815 22.532 558 HD2 PRO 69 HD2 PRO 69 -9.582 7.820 20.966 559 HD3 PRO 69 HD3 PRO 69 -8.773 6.244 21.077 560 H PHE 70 H PHE 70 -11.345 7.869 18.240 561 HA PHE 70 HA PHE 70 -13.966 8.610 18.551 562 HB2 PHE 70 HB2 PHE 70 -12.098 9.202 16.250 563 HB3 PHE 70 HB3 PHE 70 -13.638 10.019 16.496 564 HD1 PHE 70 HD2 PHE 70 -12.217 9.244 19.611 565 HD2 PHE 70 HD1 PHE 70 -11.927 11.996 16.377 566 HE1 PHE 70 HE2 PHE 70 -11.117 10.867 21.096 567 HE2 PHE 70 HE1 PHE 70 -10.825 13.624 17.857 568 HZ PHE 70 HZ PHE 70 -10.419 13.061 20.220 569 H ASP 71 H ASP 71 -12.651 6.267 16.369 570 HA ASP 71 HA ASP 71 -14.458 6.098 14.334 571 HB2 ASP 71 HB2 ASP 71 -12.702 4.560 14.235 572 HB3 ASP 71 HB3 ASP 71 -12.991 3.978 15.872 573 H ASP 72 H ASP 72 -14.782 3.894 17.105 574 HA ASP 72 HA ASP 72 -17.606 4.560 17.349 575 HB2 ASP 72 HB2 ASP 72 -17.637 2.804 15.668 576 HB3 ASP 72 HB3 ASP 72 -16.631 1.774 16.684 577 H GLY 73 H GLY 73 -18.392 4.285 19.385 578 HA2 GLY 73 HA2 GLY 73 -18.460 3.332 21.551 579 HA3 GLY 73 HA3 GLY 73 -16.833 2.715 21.303 580 H ALA 74 H ALA 74 -15.179 3.797 22.178 581 HA ALA 74 HA ALA 74 -14.008 5.371 23.332 582 HB1 ALA 74 HB1 ALA 74 -14.969 7.821 22.890 583 HB2 ALA 74 HB2 ALA 74 -13.991 6.952 21.708 584 HB3 ALA 74 HB3 ALA 74 -15.747 6.974 21.554 585 HA PRO 75 HA PRO 75 -16.044 6.102 27.150 586 HB2 PRO 75 HB2 PRO 75 -14.678 8.234 28.128 587 HB3 PRO 75 HB3 PRO 75 -13.986 6.610 28.035 588 HG2 PRO 75 HG2 PRO 75 -13.619 8.935 26.185 589 HG3 PRO 75 HG3 PRO 75 -12.409 7.795 26.802 590 HD2 PRO 75 HD2 PRO 75 -13.476 7.587 24.322 591 HD3 PRO 75 HD3 PRO 75 -12.974 6.171 25.268 592 HA PRO 76 HA PRO 76 -19.165 9.128 26.176 593 HB2 PRO 76 HB2 PRO 76 -20.688 8.703 28.383 594 HB3 PRO 76 HB3 PRO 76 -20.675 7.604 26.999 595 HG2 PRO 76 HG2 PRO 76 -19.226 7.381 29.609 596 HG3 PRO 76 HG3 PRO 76 -20.085 6.127 28.695 597 HD2 PRO 76 HD2 PRO 76 -17.389 6.379 28.643 598 HD3 PRO 76 HD3 PRO 76 -18.321 5.796 27.249 599 HA PRO 77 HA PRO 77 -18.168 11.443 30.369 600 HB2 PRO 77 HB2 PRO 77 -15.694 10.876 31.333 601 HB3 PRO 77 HB3 PRO 77 -17.146 10.004 31.839 602 HG2 PRO 77 HG2 PRO 77 -15.068 9.220 29.831 603 HG3 PRO 77 HG3 PRO 77 -15.851 8.229 31.076 604 HD2 PRO 77 HD2 PRO 77 -16.602 8.164 28.475 605 HD3 PRO 77 HD3 PRO 77 -17.749 7.911 29.807 606 H GLY 78 H GLY 78 -15.992 12.854 30.970 607 HA2 GLY 78 HA2 GLY 78 -15.381 14.183 28.449 608 HA3 GLY 78 HA3 GLY 78 -15.073 14.813 30.060 609 H LYS 79 H LYS 79 -14.108 11.707 28.649 610 HA LYS 79 HA LYS 79 -11.363 12.233 29.463 611 HB2 LYS 79 HB2 LYS 79 -12.365 10.054 29.987 612 HB3 LYS 79 HB3 LYS 79 -12.628 9.756 28.274 613 HG2 LYS 79 HG2 LYS 79 -10.688 8.546 29.038 614 HG3 LYS 79 HG3 LYS 79 -10.200 9.810 27.907 615 HD2 LYS 79 HD2 LYS 79 -9.200 11.077 29.547 616 HD3 LYS 79 HD3 LYS 79 -10.215 10.412 30.829 617 HE2 LYS 79 HE2 LYS 79 -7.859 9.663 30.957 618 HE3 LYS 79 HE3 LYS 79 -9.003 8.333 30.777 619 HZ1 LYS 79 HZ1 LYS 79 -6.799 8.713 29.261 620 HZ2 LYS 79 HZ2 LYS 79 -8.016 9.352 28.275 621 HZ3 LYS 79 HZ3 LYS 79 -8.124 7.756 28.825 622 H VAL 80 H VAL 80 -13.070 11.228 26.500 623 HA VAL 80 HA VAL 80 -10.980 11.219 24.720 624 HB VAL 80 HB VAL 80 -13.862 11.985 24.357 625 HG11 VAL 80 HG11 VAL 80 -13.137 13.195 22.579 626 HG12 VAL 80 HG12 VAL 80 -11.621 12.301 22.447 627 HG13 VAL 80 HG13 VAL 80 -13.116 11.602 21.824 628 HG21 VAL 80 HG21 VAL 80 -12.592 9.563 24.604 629 HG22 VAL 80 HG22 VAL 80 -14.180 9.821 23.882 630 HG23 VAL 80 HG23 VAL 80 -12.747 9.746 22.857 631 H VAL 81 H VAL 81 -12.678 13.976 26.064 632 HA VAL 81 HA VAL 81 -11.975 16.017 24.375 633 HB VAL 81 HB VAL 81 -12.189 17.540 26.198 634 HG11 VAL 81 HG11 VAL 81 -14.355 17.114 26.586 635 HG12 VAL 81 HG12 VAL 81 -14.100 15.695 25.568 636 HG13 VAL 81 HG13 VAL 81 -14.015 15.549 27.324 637 HG21 VAL 81 HG21 VAL 81 -10.716 16.740 27.834 638 HG22 VAL 81 HG22 VAL 81 -12.310 16.591 28.572 639 HG23 VAL 81 HG23 VAL 81 -11.510 15.167 27.908 640 H GLU 82 H GLU 82 -9.994 14.548 26.917 641 HA GLU 82 HA GLU 82 -7.825 16.261 26.892 642 HB2 GLU 82 HB2 GLU 82 -8.194 13.376 27.521 643 HB3 GLU 82 HB3 GLU 82 -6.547 13.961 27.332 644 HG2 GLU 82 HG2 GLU 82 -8.229 15.640 29.036 645 HG3 GLU 82 HG3 GLU 82 -7.971 14.006 29.645 646 H ASP 83 H ASP 83 -8.375 13.400 24.854 647 HA ASP 83 HA ASP 83 -5.973 13.674 23.372 648 HB2 ASP 83 HB2 ASP 83 -8.513 12.298 22.481 649 HB3 ASP 83 HB3 ASP 83 -6.876 11.988 21.907 650 H TRP 84 H TRP 84 -9.234 14.907 22.958 651 HA TRP 84 HA TRP 84 -9.120 15.752 20.316 652 HB2 TRP 84 HB2 TRP 84 -10.938 15.971 22.373 653 HB3 TRP 84 HB3 TRP 84 -10.474 17.647 22.094 654 HD1 TRP 84 HD1 TRP 84 -13.112 15.500 21.125 655 HE1 TRP 84 HE1 TRP 84 -14.080 16.077 18.810 656 HE3 TRP 84 HE3 TRP 84 -9.305 18.419 19.356 657 HZ2 TRP 84 HZ2 TRP 84 -13.329 17.570 16.536 658 HZ3 TRP 84 HZ3 TRP 84 -9.507 19.383 17.102 659 HH2 TRP 84 HH2 TRP 84 -11.478 18.966 15.722 660 H LEU 85 H LEU 85 -8.682 17.909 23.126 661 HA LEU 85 HA LEU 85 -7.563 20.021 21.674 662 HB2 LEU 85 HB2 LEU 85 -7.130 19.323 24.574 663 HB3 LEU 85 HB3 LEU 85 -6.821 20.890 23.830 664 HG LEU 85 HG LEU 85 -8.839 21.411 24.659 665 HD11 LEU 85 HD11 LEU 85 -10.003 19.659 22.520 666 HD12 LEU 85 HD12 LEU 85 -9.108 21.130 22.137 667 HD13 LEU 85 HD13 LEU 85 -10.578 21.220 23.106 668 HD21 LEU 85 HD21 LEU 85 -10.067 19.982 25.867 669 HD22 LEU 85 HD22 LEU 85 -8.779 18.824 25.534 670 HD23 LEU 85 HD23 LEU 85 -10.230 18.842 24.531 671 H SER 86 H SER 86 -6.033 17.335 23.394 672 HA SER 86 HA SER 86 -3.390 18.066 23.303 673 HB2 SER 86 HB2 SER 86 -4.818 15.457 23.244 674 HB3 SER 86 HB3 SER 86 -3.105 15.444 22.824 675 HG SER 86 HG SER 86 -4.333 16.231 25.238 676 H LEU 87 H LEU 87 -5.243 16.439 20.745 677 HA LEU 87 HA LEU 87 -3.081 16.340 18.904 678 HB2 LEU 87 HB2 LEU 87 -4.673 14.793 18.374 679 HB3 LEU 87 HB3 LEU 87 -6.008 15.859 18.807 680 HG LEU 87 HG LEU 87 -5.510 17.138 16.683 681 HD11 LEU 87 HD11 LEU 87 -3.657 14.810 16.343 682 HD12 LEU 87 HD12 LEU 87 -3.350 16.526 16.077 683 HD13 LEU 87 HD13 LEU 87 -4.363 15.626 14.948 684 HD21 LEU 87 HD21 LEU 87 -7.385 15.960 16.308 685 HD22 LEU 87 HD22 LEU 87 -6.709 14.472 16.973 686 HD23 LEU 87 HD23 LEU 87 -6.336 14.947 15.316 687 H VAL 88 H VAL 88 -6.087 18.260 18.736 688 HA VAL 88 HA VAL 88 -5.392 19.954 16.691 689 HB VAL 88 HB VAL 88 -7.605 19.798 18.017 690 HG11 VAL 88 HG11 VAL 88 -6.412 22.130 19.494 691 HG12 VAL 88 HG12 VAL 88 -7.965 21.339 19.772 692 HG13 VAL 88 HG13 VAL 88 -6.463 20.500 20.164 693 HG21 VAL 88 HG21 VAL 88 -6.781 22.586 17.268 694 HG22 VAL 88 HG22 VAL 88 -6.990 21.321 16.057 695 HG23 VAL 88 HG23 VAL 88 -8.351 21.808 17.068 696 H LYS 89 H LYS 89 -4.184 19.912 19.925 697 HA LYS 89 HA LYS 89 -3.059 22.585 19.749 698 HB2 LYS 89 HB2 LYS 89 -3.046 20.453 21.875 699 HB3 LYS 89 HB3 LYS 89 -2.042 21.892 22.003 700 HG2 LYS 89 HG2 LYS 89 -3.959 23.314 22.033 701 HG3 LYS 89 HG3 LYS 89 -5.030 21.962 21.658 702 HD2 LYS 89 HD2 LYS 89 -5.180 22.470 24.012 703 HD3 LYS 89 HD3 LYS 89 -4.384 20.909 23.804 704 HE2 LYS 89 HE2 LYS 89 -3.181 22.126 25.469 705 HE3 LYS 89 HE3 LYS 89 -2.192 22.088 24.010 706 HZ1 LYS 89 HZ1 LYS 89 -2.442 24.303 23.670 707 HZ2 LYS 89 HZ2 LYS 89 -2.601 24.299 25.353 708 HZ3 LYS 89 HZ3 LYS 89 -3.978 24.372 24.374 709 H ALA 90 H ALA 90 -2.047 19.247 19.470 710 HA ALA 90 HA ALA 90 0.762 19.821 19.471 711 HB1 ALA 90 HB1 ALA 90 -0.689 17.349 18.532 712 HB2 ALA 90 HB2 ALA 90 1.041 17.488 18.845 713 HB3 ALA 90 HB3 ALA 90 -0.110 17.640 20.173 714 H LYS 91 H LYS 91 -1.386 18.576 16.904 715 HA LYS 91 HA LYS 91 0.283 18.778 14.756 716 HB2 LYS 91 HB2 LYS 91 -1.881 19.362 13.448 717 HB3 LYS 91 HB3 LYS 91 -1.783 17.820 14.288 718 HG2 LYS 91 HG2 LYS 91 -3.660 18.318 15.343 719 HG3 LYS 91 HG3 LYS 91 -2.832 19.663 16.132 720 HD2 LYS 91 HD2 LYS 91 -3.732 20.138 13.361 721 HD3 LYS 91 HD3 LYS 91 -5.006 19.956 14.569 722 HE2 LYS 91 HE2 LYS 91 -3.238 21.618 15.833 723 HE3 LYS 91 HE3 LYS 91 -3.097 22.135 14.153 724 HZ1 LYS 91 HZ1 LYS 91 -5.186 22.630 15.998 725 HZ2 LYS 91 HZ2 LYS 91 -5.798 21.829 14.640 726 HZ3 LYS 91 HZ3 LYS 91 -4.952 23.282 14.454 727 H PHE 92 H PHE 92 -1.531 21.377 16.295 728 HA PHE 92 HA PHE 92 -0.699 23.333 14.341 729 HB2 PHE 92 HB2 PHE 92 -2.729 24.002 15.152 730 HB3 PHE 92 HB3 PHE 92 -2.441 23.307 16.744 731 HD1 PHE 92 HD1 PHE 92 -1.429 26.132 14.553 732 HD2 PHE 92 HD2 PHE 92 -1.872 24.674 18.528 733 HE1 PHE 92 HE1 PHE 92 -0.907 28.371 15.429 734 HE2 PHE 92 HE2 PHE 92 -1.351 26.911 19.410 735 HZ PHE 92 HZ PHE 92 -0.869 28.763 17.860 736 H CYS 93 H CYS 93 0.377 22.165 17.427 737 HA CYS 93 HA CYS 93 2.133 24.406 17.917 738 HB2 CYS 93 HB2 CYS 93 1.173 23.288 19.833 739 HB3 CYS 93 HB3 CYS 93 1.817 21.739 19.305 740 HG CYS 93 HG CYS 93 3.128 23.170 21.584 741 H GLU 94 H GLU 94 2.254 21.497 16.152 742 HA GLU 94 HA GLU 94 5.181 21.422 16.183 743 HB2 GLU 94 HB2 GLU 94 4.946 19.285 14.992 744 HB3 GLU 94 HB3 GLU 94 4.054 19.288 16.507 745 HG2 GLU 94 HG2 GLU 94 2.095 18.980 15.490 746 HG3 GLU 94 HG3 GLU 94 2.461 20.152 14.225 747 H ALA 95 H ALA 95 2.489 22.302 14.199 748 HA ALA 95 HA ALA 95 4.357 23.028 12.041 749 HB1 ALA 95 HB1 ALA 95 1.806 21.522 11.889 750 HB2 ALA 95 HB2 ALA 95 2.160 22.670 10.597 751 HB3 ALA 95 HB3 ALA 95 3.282 21.353 10.938 752 HA PRO 96 HA PRO 96 2.693 27.086 12.147 753 HB2 PRO 96 HB2 PRO 96 2.620 27.762 9.518 754 HB3 PRO 96 HB3 PRO 96 4.126 27.619 10.432 755 HG2 PRO 96 HG2 PRO 96 2.843 25.653 8.574 756 HG3 PRO 96 HG3 PRO 96 4.550 26.113 8.711 757 HD2 PRO 96 HD2 PRO 96 3.561 23.840 9.801 758 HD3 PRO 96 HD3 PRO 96 4.902 24.744 10.532 759 H GLY 97 H GLY 97 0.811 24.617 11.524 760 HA2 GLY 97 HA2 GLY 97 -1.560 24.762 11.774 761 HA3 GLY 97 HA3 GLY 97 -1.518 26.320 10.962 762 H SER 98 H SER 98 0.285 23.641 9.687 763 HA SER 98 HA SER 98 -0.667 23.807 7.119 764 HB2 SER 98 HB2 SER 98 0.700 21.704 8.698 765 HB3 SER 98 HB3 SER 98 -0.089 21.170 7.214 766 HG SER 98 HG SER 98 1.169 22.581 6.051 767 H CYS 99 H CYS 99 -1.378 20.723 8.566 768 HA CYS 99 HA CYS 99 -4.219 21.104 8.666 769 HB2 CYS 99 HB2 CYS 99 -2.935 19.860 6.284 770 HB3 CYS 99 HB3 CYS 99 -4.411 19.120 6.892 771 HG CYS 99 HG CYS 99 -4.120 21.658 4.908 772 H VAL 100 H VAL 100 -5.361 19.102 9.266 773 HA VAL 100 HA VAL 100 -3.575 17.111 10.500 774 HB VAL 100 HB VAL 100 -5.955 17.273 12.039 775 HG11 VAL 100 HG11 VAL 100 -3.760 16.478 12.793 776 HG12 VAL 100 HG12 VAL 100 -3.138 18.127 12.699 777 HG13 VAL 100 HG13 VAL 100 -4.406 17.726 13.857 778 HG21 VAL 100 HG21 VAL 100 -6.274 19.529 11.229 779 HG22 VAL 100 HG22 VAL 100 -5.761 19.576 12.915 780 HG23 VAL 100 HG23 VAL 100 -4.608 19.942 11.632 781 H ALA 101 H ALA 101 -3.904 15.299 9.380 782 HA ALA 101 HA ALA 101 -6.452 14.687 8.178 783 HB1 ALA 101 HB1 ALA 101 -3.942 14.098 7.449 784 HB2 ALA 101 HB2 ALA 101 -4.359 12.607 8.295 785 HB3 ALA 101 HB3 ALA 101 -5.343 13.155 6.939 786 H VAL 102 H VAL 102 -8.069 13.709 9.187 787 HA VAL 102 HA VAL 102 -7.466 11.703 11.244 788 HB VAL 102 HB VAL 102 -9.286 12.535 12.662 789 HG11 VAL 102 HG11 VAL 102 -8.083 14.258 13.684 790 HG12 VAL 102 HG12 VAL 102 -6.852 13.326 12.829 791 HG13 VAL 102 HG13 VAL 102 -7.441 14.844 12.150 792 HG21 VAL 102 HG21 VAL 102 -10.613 13.609 10.895 793 HG22 VAL 102 HG22 VAL 102 -10.316 14.698 12.249 794 HG23 VAL 102 HG23 VAL 102 -9.391 14.873 10.758 795 H HIS 103 H HIS 103 -8.940 10.024 11.411 796 HA HIS 103 HA HIS 103 -10.639 9.660 9.084 797 HB2 HIS 103 HB2 HIS 103 -9.199 7.811 9.724 798 HB3 HIS 103 HB3 HIS 103 -9.899 7.785 11.340 799 HD1 HIS 103 HD1 HIS 103 -10.169 6.176 8.149 800 HD2 HIS 103 HD2 HIS 103 -12.820 7.144 11.198 801 HE1 HIS 103 HE1 HIS 103 -12.179 4.710 7.783 802 H CYS 104 H CYS 104 -12.828 9.566 9.085 803 HA CYS 104 HA CYS 104 -14.307 9.462 11.574 804 HB2 CYS 104 HB2 CYS 104 -13.627 11.935 10.865 805 HB3 CYS 104 HB3 CYS 104 -15.025 11.757 9.812 806 HG CYS 104 HG CYS 104 -15.010 11.558 13.226 807 H VAL 105 H VAL 105 -16.626 9.229 11.235 808 HA VAL 105 HA VAL 105 -17.165 7.638 8.883 809 HB VAL 105 HB VAL 105 -17.974 7.201 11.318 810 HG11 VAL 105 HG11 VAL 105 -19.792 8.298 12.124 811 HG12 VAL 105 HG12 VAL 105 -19.131 9.595 11.127 812 HG13 VAL 105 HG13 VAL 105 -20.457 8.603 10.520 813 HG21 VAL 105 HG21 VAL 105 -18.897 6.439 8.770 814 HG22 VAL 105 HG22 VAL 105 -19.075 5.566 10.292 815 HG23 VAL 105 HG23 VAL 105 -20.327 6.693 9.770 816 H ALA 106 H ALA 106 -19.880 8.098 8.513 817 HA ALA 106 HA ALA 106 -19.947 10.050 6.572 818 HB1 ALA 106 HB1 ALA 106 -22.541 9.833 7.784 819 HB2 ALA 106 HB2 ALA 106 -21.975 9.213 6.232 820 HB3 ALA 106 HB3 ALA 106 -21.774 8.248 7.695 821 H GLY 107 H GLY 107 -20.387 10.380 10.022 822 HA2 GLY 107 HA2 GLY 107 -19.766 12.639 10.864 823 HA3 GLY 107 HA3 GLY 107 -20.839 13.275 9.627 824 H LEU 108 H LEU 108 -23.036 13.308 9.972 825 HA LEU 108 HA LEU 108 -24.840 13.691 11.343 826 HB2 LEU 108 HB2 LEU 108 -24.125 10.811 11.534 827 HB3 LEU 108 HB3 LEU 108 -25.402 11.425 12.582 828 HG LEU 108 HG LEU 108 -25.381 11.495 9.565 829 HD11 LEU 108 HD11 LEU 108 -27.227 9.911 9.756 830 HD12 LEU 108 HD12 LEU 108 -27.042 9.896 11.509 831 HD13 LEU 108 HD13 LEU 108 -25.755 9.266 10.482 832 HD21 LEU 108 HD21 LEU 108 -26.865 13.137 9.730 833 HD22 LEU 108 HD22 LEU 108 -26.836 13.053 11.492 834 HD23 LEU 108 HD23 LEU 108 -27.938 12.022 10.577 835 H GLY 109 H GLY 109 -23.200 11.371 13.466 836 HA2 GLY 109 HA2 GLY 109 -23.583 13.195 15.703 837 HA3 GLY 109 HA3 GLY 109 -23.056 11.522 15.800 838 H ARG 110 H ARG 110 -20.847 11.021 15.364 839 HA ARG 110 HA ARG 110 -18.939 12.379 16.632 840 HB2 ARG 110 HB2 ARG 110 -18.848 10.650 14.219 841 HB3 ARG 110 HB3 ARG 110 -17.390 11.554 14.606 842 HG2 ARG 110 HG2 ARG 110 -17.047 9.553 15.698 843 HG3 ARG 110 HG3 ARG 110 -17.703 10.574 16.979 844 HD2 ARG 110 HD2 ARG 110 -18.824 8.492 17.131 845 HD3 ARG 110 HD3 ARG 110 -19.968 9.630 16.419 846 HE ARG 110 HE ARG 110 -18.545 8.237 14.402 847 HH11 ARG 110 HH11 ARG 110 -21.098 7.854 16.738 848 HH12 ARG 110 HH12 ARG 110 -21.921 6.629 15.831 849 HH21 ARG 110 HH21 ARG 110 -19.620 6.625 13.198 850 HH22 ARG 110 HH22 ARG 110 -21.080 5.930 13.818 851 H ALA 111 H ALA 111 -19.917 13.048 13.292 852 HA ALA 111 HA ALA 111 -18.095 14.900 12.490 853 HB1 ALA 111 HB1 ALA 111 -19.589 14.635 10.829 854 HB2 ALA 111 HB2 ALA 111 -20.950 14.455 11.937 855 HB3 ALA 111 HB3 ALA 111 -20.342 16.062 11.541 856 HA PRO 112 HA PRO 112 -20.255 18.652 14.502 857 HB2 PRO 112 HB2 PRO 112 -22.655 18.295 15.721 858 HB3 PRO 112 HB3 PRO 112 -22.496 18.626 13.992 859 HG2 PRO 112 HG2 PRO 112 -22.917 16.012 15.389 860 HG3 PRO 112 HG3 PRO 112 -23.685 16.630 13.914 861 HD2 PRO 112 HD2 PRO 112 -21.645 14.850 13.859 862 HD3 PRO 112 HD3 PRO 112 -21.883 16.070 12.591 863 H VAL 113 H VAL 113 -20.833 15.636 16.255 864 HA VAL 113 HA VAL 113 -20.733 16.620 18.866 865 HB VAL 113 HB VAL 113 -20.109 13.946 17.665 866 HG11 VAL 113 HG11 VAL 113 -19.641 14.795 20.512 867 HG12 VAL 113 HG12 VAL 113 -19.899 13.112 20.048 868 HG13 VAL 113 HG13 VAL 113 -18.517 14.002 19.409 869 HG21 VAL 113 HG21 VAL 113 -22.277 15.163 19.312 870 HG22 VAL 113 HG22 VAL 113 -22.391 14.175 17.856 871 HG23 VAL 113 HG23 VAL 113 -21.997 13.424 19.402 872 H LEU 114 H LEU 114 -18.095 15.181 16.942 873 HA LEU 114 HA LEU 114 -16.065 15.680 18.824 874 HB2 LEU 114 HB2 LEU 114 -16.135 15.062 15.909 875 HB3 LEU 114 HB3 LEU 114 -14.617 15.587 16.633 876 HG LEU 114 HG LEU 114 -14.969 13.089 16.403 877 HD11 LEU 114 HD11 LEU 114 -13.936 12.610 18.547 878 HD12 LEU 114 HD12 LEU 114 -14.449 14.179 19.166 879 HD13 LEU 114 HD13 LEU 114 -13.270 14.091 17.858 880 HD21 LEU 114 HD21 LEU 114 -17.401 13.391 17.301 881 HD22 LEU 114 HD22 LEU 114 -16.625 13.277 18.881 882 HD23 LEU 114 HD23 LEU 114 -16.473 11.952 17.725 883 H VAL 115 H VAL 115 -16.756 17.405 15.775 884 HA VAL 115 HA VAL 115 -14.956 19.481 16.072 885 HB VAL 115 HB VAL 115 -16.284 20.753 14.519 886 HG11 VAL 115 HG11 VAL 115 -17.009 18.453 13.114 887 HG12 VAL 115 HG12 VAL 115 -15.480 19.330 13.011 888 HG13 VAL 115 HG13 VAL 115 -15.646 17.971 14.124 889 HG21 VAL 115 HG21 VAL 115 -18.556 19.844 13.841 890 HG22 VAL 115 HG22 VAL 115 -18.500 18.884 15.320 891 HG23 VAL 115 HG23 VAL 115 -18.466 20.645 15.410 892 H ALA 116 H ALA 116 -18.107 19.051 17.538 893 HA ALA 116 HA ALA 116 -18.504 21.683 18.454 894 HB1 ALA 116 HB1 ALA 116 -19.962 20.492 20.206 895 HB2 ALA 116 HB2 ALA 116 -20.396 20.328 18.504 896 HB3 ALA 116 HB3 ALA 116 -19.554 19.017 19.329 897 H LEU 117 H LEU 117 -17.026 18.855 20.017 898 HA LEU 117 HA LEU 117 -16.516 19.974 22.510 899 HB2 LEU 117 HB2 LEU 117 -16.225 17.567 21.741 900 HB3 LEU 117 HB3 LEU 117 -14.654 18.068 21.119 901 HG LEU 117 HG LEU 117 -14.627 16.927 23.357 902 HD11 LEU 117 HD11 LEU 117 -12.879 18.254 24.180 903 HD12 LEU 117 HD12 LEU 117 -13.573 19.733 23.517 904 HD13 LEU 117 HD13 LEU 117 -12.873 18.527 22.438 905 HD21 LEU 117 HD21 LEU 117 -16.729 18.457 23.992 906 HD22 LEU 117 HD22 LEU 117 -15.436 19.457 24.654 907 HD23 LEU 117 HD23 LEU 117 -15.627 17.788 25.195 908 H ALA 118 H ALA 118 -14.391 19.867 19.654 909 HA ALA 118 HA ALA 118 -12.318 21.402 20.843 910 HB1 ALA 118 HB1 ALA 118 -12.319 19.828 18.742 911 HB2 ALA 118 HB2 ALA 118 -12.676 21.329 17.887 912 HB3 ALA 118 HB3 ALA 118 -11.205 21.191 18.851 913 H LEU 119 H LEU 119 -15.095 22.203 18.820 914 HA LEU 119 HA LEU 119 -14.456 24.849 18.215 915 HB2 LEU 119 HB2 LEU 119 -16.258 23.913 17.057 916 HB3 LEU 119 HB3 LEU 119 -17.052 23.388 18.540 917 HG LEU 119 HG LEU 119 -17.697 25.660 19.048 918 HD11 LEU 119 HD11 LEU 119 -15.835 26.906 18.241 919 HD12 LEU 119 HD12 LEU 119 -17.261 27.456 17.362 920 HD13 LEU 119 HD13 LEU 119 -16.114 26.364 16.586 921 HD21 LEU 119 HD21 LEU 119 -19.111 24.295 17.535 922 HD22 LEU 119 HD22 LEU 119 -18.312 25.056 16.159 923 HD23 LEU 119 HD23 LEU 119 -19.273 26.032 17.271 924 H ILE 120 H ILE 120 -16.256 23.528 20.978 925 HA ILE 120 HA ILE 120 -16.792 26.011 22.207 926 HB ILE 120 HB ILE 120 -16.914 23.172 23.039 927 HG12 ILE 120 HG12 ILE 120 -19.163 23.877 23.775 928 HG13 ILE 120 HG13 ILE 120 -18.764 25.544 23.376 929 HG21 ILE 120 HG21 ILE 120 -16.656 25.442 24.995 930 HG22 ILE 120 HG22 ILE 120 -17.416 23.905 25.404 931 HG23 ILE 120 HG23 ILE 120 -15.719 23.950 24.926 932 HD11 ILE 120 HD11 ILE 120 -18.651 25.038 21.057 933 HD12 ILE 120 HD12 ILE 120 -18.770 23.307 21.371 934 HD13 ILE 120 HD13 ILE 120 -20.151 24.357 21.684 935 H GLU 121 H GLU 121 -14.194 23.641 22.688 936 HA GLU 121 HA GLU 121 -12.911 25.026 24.790 937 HB2 GLU 121 HB2 GLU 121 -11.672 23.120 22.798 938 HB3 GLU 121 HB3 GLU 121 -11.018 23.558 24.370 939 HG2 GLU 121 HG2 GLU 121 -13.740 22.386 24.284 940 HG3 GLU 121 HG3 GLU 121 -12.369 21.322 23.975 941 H SER 122 H SER 122 -12.932 25.460 21.369 942 HA SER 122 HA SER 122 -10.464 26.837 21.111 943 HB2 SER 122 HB2 SER 122 -10.984 26.610 18.945 944 HB3 SER 122 HB3 SER 122 -12.586 26.024 19.393 945 HG SER 122 HG SER 122 -13.341 27.830 18.663 946 H GLY 123 H GLY 123 -13.565 27.739 22.294 947 HA2 GLY 123 HA2 GLY 123 -13.393 29.824 23.700 948 HA3 GLY 123 HA3 GLY 123 -12.769 30.583 22.243 949 H MET 124 H MET 124 -15.228 28.255 21.759 950 HA MET 124 HA MET 124 -17.112 30.412 21.125 951 HB2 MET 124 HB2 MET 124 -16.320 28.185 19.677 952 HB3 MET 124 HB3 MET 124 -17.897 27.725 20.305 953 HG2 MET 124 HG2 MET 124 -18.506 28.705 18.343 954 HG3 MET 124 HG3 MET 124 -18.592 30.092 19.427 955 HE1 MET 124 HE1 MET 124 -16.230 32.503 18.509 956 HE2 MET 124 HE2 MET 124 -17.683 32.403 17.514 957 HE3 MET 124 HE3 MET 124 -17.754 31.978 19.225 958 H LYS 125 H LYS 125 -19.313 30.265 21.747 959 HA LYS 125 HA LYS 125 -19.686 29.220 24.385 960 HB2 LYS 125 HB2 LYS 125 -22.168 29.996 23.184 961 HB3 LYS 125 HB3 LYS 125 -21.262 30.798 24.460 962 HG2 LYS 125 HG2 LYS 125 -19.873 31.866 22.662 963 HG3 LYS 125 HG3 LYS 125 -21.026 31.219 21.493 964 HD2 LYS 125 HD2 LYS 125 -21.975 33.261 21.827 965 HD3 LYS 125 HD3 LYS 125 -22.755 32.384 23.146 966 HE2 LYS 125 HE2 LYS 125 -20.265 33.313 24.108 967 HE3 LYS 125 HE3 LYS 125 -21.031 34.659 23.265 968 HZ1 LYS 125 HZ1 LYS 125 -22.990 33.415 24.802 969 HZ2 LYS 125 HZ2 LYS 125 -22.316 34.950 25.026 970 HZ3 LYS 125 HZ3 LYS 125 -21.638 33.608 25.801 971 H TYR 126 H TYR 126 -20.711 27.412 25.034 972 HA TYR 126 HA TYR 126 -20.999 25.214 23.392 973 HB2 TYR 126 HB2 TYR 126 -21.096 24.420 25.497 974 HB3 TYR 126 HB3 TYR 126 -21.766 25.921 26.125 975 HD1 TYR 126 HD2 TYR 126 -22.768 22.915 24.151 976 HD2 TYR 126 HD1 TYR 126 -23.949 25.938 26.902 977 HE1 TYR 126 HE2 TYR 126 -24.959 21.825 24.400 978 HE2 TYR 126 HE1 TYR 126 -26.142 24.856 27.160 979 HH TYR 126 HH TYR 126 -27.371 22.676 25.095 980 H GLU 127 H GLU 127 -23.583 27.367 24.568 981 HA GLU 127 HA GLU 127 -25.706 26.143 23.234 982 HB2 GLU 127 HB2 GLU 127 -25.337 29.047 23.988 983 HB3 GLU 127 HB3 GLU 127 -26.860 28.337 23.470 984 HG2 GLU 127 HG2 GLU 127 -26.202 26.663 25.479 985 HG3 GLU 127 HG3 GLU 127 -25.468 28.160 26.051 986 H ASP 128 H ASP 128 -23.896 29.053 22.242 987 HA ASP 128 HA ASP 128 -25.059 29.458 19.778 988 HB2 ASP 128 HB2 ASP 128 -23.093 30.697 21.121 989 HB3 ASP 128 HB3 ASP 128 -22.117 29.845 19.926 990 H ALA 129 H ALA 129 -22.060 27.623 20.386 991 HA ALA 129 HA ALA 129 -21.613 26.698 17.823 992 HB1 ALA 129 HB1 ALA 129 -20.900 25.715 20.532 993 HB2 ALA 129 HB2 ALA 129 -20.649 24.630 19.164 994 HB3 ALA 129 HB3 ALA 129 -19.861 26.207 19.194 995 H ILE 130 H ILE 130 -23.519 25.141 20.393 996 HA ILE 130 HA ILE 130 -24.252 22.836 19.033 997 HB ILE 130 HB ILE 130 -25.754 24.418 21.113 998 HG12 ILE 130 HG12 ILE 130 -24.262 23.455 22.478 999 HG13 ILE 130 HG13 ILE 130 -24.982 21.901 22.072 1000 HG21 ILE 130 HG21 ILE 130 -26.431 21.761 19.874 1001 HG22 ILE 130 HG22 ILE 130 -27.087 22.308 21.416 1002 HG23 ILE 130 HG23 ILE 130 -27.431 23.212 19.941 1003 HD11 ILE 130 HD11 ILE 130 -22.615 21.778 21.759 1004 HD12 ILE 130 HD12 ILE 130 -23.398 21.724 20.179 1005 HD13 ILE 130 HD13 ILE 130 -22.631 23.212 20.733 1006 H GLN 131 H GLN 131 -26.164 25.836 19.328 1007 HA GLN 131 HA GLN 131 -28.261 25.174 17.677 1008 HB2 GLN 131 HB2 GLN 131 -26.923 27.802 18.255 1009 HB3 GLN 131 HB3 GLN 131 -28.292 27.708 17.155 1010 HG2 GLN 131 HG2 GLN 131 -28.410 28.038 19.881 1011 HG3 GLN 131 HG3 GLN 131 -29.744 27.575 18.825 1012 HE21 GLN 131 HE21 GLN 131 -27.526 26.555 21.243 1013 HE22 GLN 131 HE22 GLN 131 -28.161 24.964 21.466 1014 H PHE 132 H PHE 132 -25.014 26.115 16.810 1015 HA PHE 132 HA PHE 132 -25.519 26.669 14.074 1016 HB2 PHE 132 HB2 PHE 132 -23.474 27.353 15.425 1017 HB3 PHE 132 HB3 PHE 132 -22.902 25.700 15.224 1018 HD1 PHE 132 HD1 PHE 132 -24.643 27.914 12.798 1019 HD2 PHE 132 HD2 PHE 132 -21.058 25.865 13.833 1020 HE1 PHE 132 HE1 PHE 132 -23.671 28.520 10.620 1021 HE2 PHE 132 HE2 PHE 132 -20.081 26.469 11.658 1022 HZ PHE 132 HZ PHE 132 -21.387 27.799 10.048 1023 H ILE 133 H ILE 133 -23.764 23.899 15.480 1024 HA ILE 133 HA ILE 133 -23.966 22.330 13.133 1025 HB ILE 133 HB ILE 133 -23.285 20.429 14.641 1026 HG12 ILE 133 HG12 ILE 133 -22.741 22.428 16.785 1027 HG13 ILE 133 HG13 ILE 133 -24.376 21.789 16.652 1028 HG21 ILE 133 HG21 ILE 133 -21.758 22.970 14.334 1029 HG22 ILE 133 HG22 ILE 133 -21.061 21.656 15.280 1030 HG23 ILE 133 HG23 ILE 133 -21.486 21.394 13.589 1031 HD11 ILE 133 HD11 ILE 133 -23.721 19.650 17.204 1032 HD12 ILE 133 HD12 ILE 133 -22.043 19.931 16.736 1033 HD13 ILE 133 HD13 ILE 133 -22.677 20.642 18.221 1034 H ARG 134 H ARG 134 -26.230 23.079 15.518 1035 HA ARG 134 HA ARG 134 -27.735 20.604 15.248 1036 HB2 ARG 134 HB2 ARG 134 -27.592 21.730 17.442 1037 HB3 ARG 134 HB3 ARG 134 -28.404 23.134 16.762 1038 HG2 ARG 134 HG2 ARG 134 -30.393 21.786 16.335 1039 HG3 ARG 134 HG3 ARG 134 -29.578 20.373 17.008 1040 HD2 ARG 134 HD2 ARG 134 -29.295 21.703 19.135 1041 HD3 ARG 134 HD3 ARG 134 -30.386 22.897 18.433 1042 HE ARG 134 HE ARG 134 -31.439 20.222 18.440 1043 HH11 ARG 134 HH11 ARG 134 -31.077 23.167 20.261 1044 HH12 ARG 134 HH12 ARG 134 -32.454 22.867 21.268 1045 HH21 ARG 134 HH21 ARG 134 -33.254 19.815 19.760 1046 HH22 ARG 134 HH22 ARG 134 -33.691 20.960 20.984 1047 H GLN 135 H GLN 135 -28.030 24.024 14.380 1048 HA GLN 135 HA GLN 135 -30.578 23.706 13.119 1049 HB2 GLN 135 HB2 GLN 135 -30.418 25.986 12.541 1050 HB3 GLN 135 HB3 GLN 135 -29.618 25.852 14.102 1051 HG2 GLN 135 HG2 GLN 135 -27.443 25.814 12.965 1052 HG3 GLN 135 HG3 GLN 135 -28.265 26.004 11.417 1053 HE21 GLN 135 HE21 GLN 135 -26.690 27.877 11.481 1054 HE22 GLN 135 HE22 GLN 135 -27.291 29.367 12.116 1055 H LYS 136 H LYS 136 -27.284 23.331 12.142 1056 HA LYS 136 HA LYS 136 -27.453 23.722 9.394 1057 HB2 LYS 136 HB2 LYS 136 -25.468 22.396 9.207 1058 HB3 LYS 136 HB3 LYS 136 -25.360 23.306 10.708 1059 HG2 LYS 136 HG2 LYS 136 -25.121 21.445 11.879 1060 HG3 LYS 136 HG3 LYS 136 -26.603 20.771 11.198 1061 HD2 LYS 136 HD2 LYS 136 -24.671 19.338 10.741 1062 HD3 LYS 136 HD3 LYS 136 -25.361 19.984 9.250 1063 HE2 LYS 136 HE2 LYS 136 -23.392 21.807 10.190 1064 HE3 LYS 136 HE3 LYS 136 -22.695 20.188 10.206 1065 HZ1 LYS 136 HZ1 LYS 136 -22.508 20.245 8.014 1066 HZ2 LYS 136 HZ2 LYS 136 -23.045 21.849 8.018 1067 HZ3 LYS 136 HZ3 LYS 136 -24.154 20.587 7.820 1068 H ARG 137 H ARG 137 -28.837 21.268 11.344 1069 HA ARG 137 HA ARG 137 -30.178 20.118 9.088 1070 HB2 ARG 137 HB2 ARG 137 -27.777 18.848 10.139 1071 HB3 ARG 137 HB3 ARG 137 -29.176 17.786 10.215 1072 HG2 ARG 137 HG2 ARG 137 -28.305 19.232 7.725 1073 HG3 ARG 137 HG3 ARG 137 -27.822 17.585 8.135 1074 HD2 ARG 137 HD2 ARG 137 -29.968 16.752 7.868 1075 HD3 ARG 137 HD3 ARG 137 -30.716 18.333 8.093 1076 HE ARG 137 HE ARG 137 -30.514 18.695 5.848 1077 HH11 ARG 137 HH11 ARG 137 -28.355 16.124 6.769 1078 HH12 ARG 137 HH12 ARG 137 -27.898 15.748 5.141 1079 HH21 ARG 137 HH21 ARG 137 -29.920 18.210 3.700 1080 HH22 ARG 137 HH22 ARG 137 -28.788 16.936 3.396 1081 H ARG 138 H ARG 138 -29.267 18.653 12.191 1082 HA ARG 138 HA ARG 138 -31.775 19.294 13.428 1083 HB2 ARG 138 HB2 ARG 138 -31.883 17.126 11.769 1084 HB3 ARG 138 HB3 ARG 138 -31.475 16.371 13.304 1085 HG2 ARG 138 HG2 ARG 138 -33.426 17.669 14.286 1086 HG3 ARG 138 HG3 ARG 138 -33.893 18.007 12.618 1087 HD2 ARG 138 HD2 ARG 138 -33.303 15.189 13.320 1088 HD3 ARG 138 HD3 ARG 138 -34.787 15.886 13.969 1089 HE ARG 138 HE ARG 138 -34.472 16.357 11.163 1090 HH11 ARG 138 HH11 ARG 138 -35.527 14.051 13.549 1091 HH12 ARG 138 HH12 ARG 138 -36.618 13.242 12.474 1092 HH21 ARG 138 HH21 ARG 138 -35.905 15.299 9.738 1093 HH22 ARG 138 HH22 ARG 138 -36.832 13.952 10.306 1094 H GLY 139 H GLY 139 -31.783 17.059 15.225 1095 HA2 GLY 139 HA2 GLY 139 -30.040 17.976 17.204 1096 HA3 GLY 139 HA3 GLY 139 -30.846 16.415 17.218 1097 H ALA 140 H ALA 140 -27.950 18.144 16.263 1098 HA ALA 140 HA ALA 140 -26.600 15.712 15.442 1099 HB1 ALA 140 HB1 ALA 140 -25.535 17.197 14.177 1100 HB2 ALA 140 HB2 ALA 140 -26.179 18.548 15.110 1101 HB3 ALA 140 HB3 ALA 140 -24.702 17.739 15.634 1102 H ILE 141 H ILE 141 -25.856 18.255 17.838 1103 HA ILE 141 HA ILE 141 -24.262 16.335 19.348 1104 HB ILE 141 HB ILE 141 -23.317 18.565 18.938 1105 HG12 ILE 141 HG12 ILE 141 -23.216 19.115 21.601 1106 HG13 ILE 141 HG13 ILE 141 -23.782 17.449 21.631 1107 HG21 ILE 141 HG21 ILE 141 -25.920 19.417 19.724 1108 HG22 ILE 141 HG22 ILE 141 -24.732 20.141 20.806 1109 HG23 ILE 141 HG23 ILE 141 -24.595 20.374 19.064 1110 HD11 ILE 141 HD11 ILE 141 -21.856 16.672 20.531 1111 HD12 ILE 141 HD12 ILE 141 -21.367 18.303 20.072 1112 HD13 ILE 141 HD13 ILE 141 -21.289 17.802 21.760 1113 H ASN 142 H ASN 142 -27.421 17.047 19.215 1114 HA ASN 142 HA ASN 142 -28.246 17.596 21.813 1115 HB2 ASN 142 HB2 ASN 142 -29.484 16.951 19.391 1116 HB3 ASN 142 HB3 ASN 142 -30.013 15.698 20.510 1117 HD21 ASN 142 HD21 ASN 142 -29.497 19.211 20.488 1118 HD22 ASN 142 HD22 ASN 142 -30.961 19.601 21.319 1119 H SER 143 H SER 143 -29.481 15.992 23.219 1120 HA SER 143 HA SER 143 -29.633 14.015 24.387 1121 HB2 SER 143 HB2 SER 143 -27.400 12.778 22.814 1122 HB3 SER 143 HB3 SER 143 -28.813 12.010 23.538 1123 HG SER 143 HG SER 143 -30.074 13.111 21.923 1124 H LYS 144 H LYS 144 -27.357 12.314 24.997 1125 HA LYS 144 HA LYS 144 -26.355 13.429 27.258 1126 HB2 LYS 144 HB2 LYS 144 -24.746 11.646 25.423 1127 HB3 LYS 144 HB3 LYS 144 -24.531 11.836 27.159 1128 HG2 LYS 144 HG2 LYS 144 -25.901 10.131 27.474 1129 HG3 LYS 144 HG3 LYS 144 -27.210 11.087 26.775 1130 HD2 LYS 144 HD2 LYS 144 -27.070 10.049 24.752 1131 HD3 LYS 144 HD3 LYS 144 -25.333 9.770 24.894 1132 HE2 LYS 144 HE2 LYS 144 -25.674 7.930 26.371 1133 HE3 LYS 144 HE3 LYS 144 -27.390 8.301 26.532 1134 HZ1 LYS 144 HZ1 LYS 144 -25.962 7.059 24.285 1135 HZ2 LYS 144 HZ2 LYS 144 -27.373 7.939 23.974 1136 HZ3 LYS 144 HZ3 LYS 144 -27.420 6.605 25.012 1137 H GLN 145 H GLN 145 -24.826 13.605 24.050 1138 HA GLN 145 HA GLN 145 -22.541 14.986 24.642 1139 HB2 GLN 145 HB2 GLN 145 -24.265 15.633 22.252 1140 HB3 GLN 145 HB3 GLN 145 -22.516 15.762 22.380 1141 HG2 GLN 145 HG2 GLN 145 -24.176 13.262 22.256 1142 HG3 GLN 145 HG3 GLN 145 -22.993 13.841 21.084 1143 HE21 GLN 145 HE21 GLN 145 -23.091 11.285 22.420 1144 HE22 GLN 145 HE22 GLN 145 -21.615 11.131 23.304 1145 H LEU 146 H LEU 146 -25.716 16.427 23.915 1146 HA LEU 146 HA LEU 146 -24.992 19.099 24.233 1147 HB2 LEU 146 HB2 LEU 146 -27.293 17.739 23.635 1148 HB3 LEU 146 HB3 LEU 146 -27.671 18.445 25.205 1149 HG LEU 146 HG LEU 146 -26.821 20.653 24.085 1150 HD11 LEU 146 HD11 LEU 146 -26.320 20.546 21.931 1151 HD12 LEU 146 HD12 LEU 146 -27.959 20.000 21.579 1152 HD13 LEU 146 HD13 LEU 146 -26.690 18.822 21.913 1153 HD21 LEU 146 HD21 LEU 146 -29.269 20.652 22.947 1154 HD22 LEU 146 HD22 LEU 146 -28.983 20.872 24.674 1155 HD23 LEU 146 HD23 LEU 146 -29.425 19.283 24.048 1156 H THR 147 H THR 147 -26.594 16.987 26.622 1157 HA THR 147 HA THR 147 -26.528 18.744 28.772 1158 HB THR 147 HB THR 147 -26.703 16.761 30.230 1159 HG1 THR 147 HG1 THR 147 -26.169 15.361 27.805 1160 HG21 THR 147 HG21 THR 147 -28.855 16.890 29.662 1161 HG22 THR 147 HG22 THR 147 -28.547 15.705 28.392 1162 HG23 THR 147 HG23 THR 147 -28.438 17.428 28.036 1163 H TYR 148 H TYR 148 -24.042 16.593 27.537 1164 HA TYR 148 HA TYR 148 -22.265 16.564 29.657 1165 HB2 TYR 148 HB2 TYR 148 -21.840 15.179 27.756 1166 HB3 TYR 148 HB3 TYR 148 -21.761 16.570 26.680 1167 HD1 TYR 148 HD2 TYR 148 -20.124 15.913 29.971 1168 HD2 TYR 148 HD1 TYR 148 -19.615 16.655 25.813 1169 HE1 TYR 148 HE2 TYR 148 -17.688 16.019 30.294 1170 HE2 TYR 148 HE1 TYR 148 -17.177 16.761 26.124 1171 HH TYR 148 HH TYR 148 -15.600 17.316 28.128 1172 H LEU 149 H LEU 149 -22.103 18.780 26.862 1173 HA LEU 149 HA LEU 149 -20.159 20.471 27.984 1174 HB2 LEU 149 HB2 LEU 149 -21.437 20.240 25.554 1175 HB3 LEU 149 HB3 LEU 149 -22.002 21.797 26.159 1176 HG LEU 149 HG LEU 149 -20.099 22.161 24.751 1177 HD11 LEU 149 HD11 LEU 149 -20.310 23.074 27.332 1178 HD12 LEU 149 HD12 LEU 149 -19.219 23.704 26.099 1179 HD13 LEU 149 HD13 LEU 149 -18.645 22.499 27.251 1180 HD21 LEU 149 HD21 LEU 149 -19.095 19.784 26.105 1181 HD22 LEU 149 HD22 LEU 149 -17.900 21.076 25.992 1182 HD23 LEU 149 HD23 LEU 149 -18.672 20.458 24.531 1183 H GLU 150 H GLU 150 -23.626 20.362 28.299 1184 HA GLU 150 HA GLU 150 -24.171 22.937 29.187 1185 HB2 GLU 150 HB2 GLU 150 -25.728 20.861 28.745 1186 HB3 GLU 150 HB3 GLU 150 -25.528 20.602 30.472 1187 HG2 GLU 150 HG2 GLU 150 -26.822 22.893 29.053 1188 HG3 GLU 150 HG3 GLU 150 -27.482 21.844 30.307 1189 H LYS 151 H LYS 151 -23.165 20.092 31.057 1190 HA LYS 151 HA LYS 151 -22.901 21.728 33.458 1191 HB2 LYS 151 HB2 LYS 151 -23.040 18.825 32.870 1192 HB3 LYS 151 HB3 LYS 151 -22.055 19.296 34.249 1193 HG2 LYS 151 HG2 LYS 151 -23.928 20.371 35.294 1194 HG3 LYS 151 HG3 LYS 151 -24.929 20.107 33.864 1195 HD2 LYS 151 HD2 LYS 151 -23.702 17.686 35.000 1196 HD3 LYS 151 HD3 LYS 151 -24.894 18.478 36.032 1197 HE2 LYS 151 HE2 LYS 151 -26.427 18.493 34.019 1198 HE3 LYS 151 HE3 LYS 151 -25.264 17.422 33.238 1199 HZ1 LYS 151 HZ1 LYS 151 -26.478 16.799 35.866 1200 HZ2 LYS 151 HZ2 LYS 151 -25.650 15.754 34.826 1201 HZ3 LYS 151 HZ3 LYS 151 -27.187 16.322 34.405 1202 H TYR 152 H TYR 152 -20.957 20.187 31.021 1203 HA TYR 152 HA TYR 152 -18.491 20.122 32.357 1204 HB2 TYR 152 HB2 TYR 152 -19.015 19.000 30.175 1205 HB3 TYR 152 HB3 TYR 152 -18.918 20.577 29.399 1206 HD1 TYR 152 HD1 TYR 152 -17.012 17.888 31.000 1207 HD2 TYR 152 HD2 TYR 152 -16.780 21.680 29.084 1208 HE1 TYR 152 HE1 TYR 152 -14.583 17.600 30.737 1209 HE2 TYR 152 HE2 TYR 152 -14.351 21.402 28.814 1210 HH TYR 152 HH TYR 152 -12.504 20.005 30.112 1211 H ARG 153 H ARG 153 -16.708 21.536 32.290 1212 HA ARG 153 HA ARG 153 -17.383 24.331 31.644 1213 HB2 ARG 153 HB2 ARG 153 -17.299 24.317 33.982 1214 HB3 ARG 153 HB3 ARG 153 -15.969 23.167 34.022 1215 HG2 ARG 153 HG2 ARG 153 -15.461 25.807 32.774 1216 HG3 ARG 153 HG3 ARG 153 -15.632 25.742 34.529 1217 HD2 ARG 153 HD2 ARG 153 -13.971 23.587 33.763 1218 HD3 ARG 153 HD3 ARG 153 -13.393 25.020 32.914 1219 HE ARG 153 HE ARG 153 -13.689 25.921 35.429 1220 HH11 ARG 153 HH11 ARG 153 -12.114 23.110 34.112 1221 HH12 ARG 153 HH12 ARG 153 -10.916 23.035 35.362 1222 HH21 ARG 153 HH21 ARG 153 -12.117 25.833 37.080 1223 HH22 ARG 153 HH22 ARG 153 -10.919 24.584 37.050 1224 HA PRO 154 HA PRO 154 -13.887 24.120 28.945 1225 HB2 PRO 154 HB2 PRO 154 -13.652 26.782 28.467 1226 HB3 PRO 154 HB3 PRO 154 -14.920 25.784 27.745 1227 HG2 PRO 154 HG2 PRO 154 -15.059 27.595 30.124 1228 HG3 PRO 154 HG3 PRO 154 -16.223 27.394 28.802 1229 HD2 PRO 154 HD2 PRO 154 -16.557 26.234 31.225 1230 HD3 PRO 154 HD3 PRO 154 -17.129 25.484 29.721 1231 H LYS 155 H LYS 155 -11.905 23.713 29.686 1232 HA LYS 155 HA LYS 155 -10.813 25.123 31.950 1233 HB2 LYS 155 HB2 LYS 155 -9.003 23.567 31.845 1234 HB3 LYS 155 HB3 LYS 155 -10.481 22.669 31.529 1235 HG2 LYS 155 HG2 LYS 155 -9.662 23.414 29.013 1236 HG3 LYS 155 HG3 LYS 155 -8.145 23.074 29.849 1237 HD2 LYS 155 HD2 LYS 155 -10.495 21.193 29.885 1238 HD3 LYS 155 HD3 LYS 155 -9.222 21.117 28.664 1239 HE2 LYS 155 HE2 LYS 155 -7.886 20.014 30.056 1240 HE3 LYS 155 HE3 LYS 155 -8.063 21.265 31.286 1241 HZ1 LYS 155 HZ1 LYS 155 -9.019 18.695 31.408 1242 HZ2 LYS 155 HZ2 LYS 155 -10.392 19.639 31.116 1243 HZ3 LYS 155 HZ3 LYS 155 -9.410 19.967 32.454 1244 H GLN 156 H GLN 156 -11.135 26.039 28.878 1245 HA GLN 156 HA GLN 156 -10.173 27.661 27.604 1246 HB2 GLN 156 HB2 GLN 156 -8.211 28.135 29.840 1247 HB3 GLN 156 HB3 GLN 156 -8.759 29.275 28.618 1248 HG2 GLN 156 HG2 GLN 156 -10.195 30.024 30.127 1249 HG3 GLN 156 HG3 GLN 156 -11.086 28.520 29.895 1250 HE21 GLN 156 HE21 GLN 156 -11.802 28.172 31.917 1251 HE22 GLN 156 HE22 GLN 156 -10.781 27.935 33.290 1252 H ARG 157 H ARG 157 -9.279 24.928 27.469 1253 HA ARG 157 HA ARG 157 -6.485 24.700 27.296 1254 HB2 ARG 157 HB2 ARG 157 -8.475 22.926 27.153 1255 HB3 ARG 157 HB3 ARG 157 -8.181 23.122 25.431 1256 HG2 ARG 157 HG2 ARG 157 -6.867 21.299 26.061 1257 HG3 ARG 157 HG3 ARG 157 -5.736 22.651 25.960 1258 HD2 ARG 157 HD2 ARG 157 -5.695 22.895 28.327 1259 HD3 ARG 157 HD3 ARG 157 -7.044 21.777 28.526 1260 HE ARG 157 HE ARG 157 -4.905 20.469 27.240 1261 HH11 ARG 157 HH11 ARG 157 -5.837 21.731 30.347 1262 HH12 ARG 157 HH12 ARG 157 -4.860 20.613 31.240 1263 HH21 ARG 157 HH21 ARG 157 -3.614 18.992 28.404 1264 HH22 ARG 157 HH22 ARG 157 -3.595 19.056 30.134 1265 H LEU 158 H LEU 158 -8.855 25.089 24.654 1266 HA LEU 158 HA LEU 158 -6.701 25.950 22.881 1267 HB2 LEU 158 HB2 LEU 158 -9.499 25.001 22.504 1268 HB3 LEU 158 HB3 LEU 158 -8.768 26.004 21.253 1269 HG LEU 158 HG LEU 158 -8.629 23.570 20.799 1270 HD11 LEU 158 HD11 LEU 158 -5.935 23.721 20.711 1271 HD12 LEU 158 HD12 LEU 158 -6.349 25.423 20.911 1272 HD13 LEU 158 HD13 LEU 158 -7.010 24.509 19.556 1273 HD21 LEU 158 HD21 LEU 158 -7.074 22.205 22.080 1274 HD22 LEU 158 HD22 LEU 158 -8.370 22.809 23.113 1275 HD23 LEU 158 HD23 LEU 158 -6.772 23.554 23.177 1276 H ARG 159 H ARG 159 -6.362 27.987 23.953 1277 HA ARG 159 HA ARG 159 -6.503 30.267 23.894 1278 HB2 ARG 159 HB2 ARG 159 -7.846 29.551 21.614 1279 HB3 ARG 159 HB3 ARG 159 -9.073 30.460 22.486 1280 HG2 ARG 159 HG2 ARG 159 -8.093 32.143 21.309 1281 HG3 ARG 159 HG3 ARG 159 -7.109 32.188 22.773 1282 HD2 ARG 159 HD2 ARG 159 -6.397 30.720 20.236 1283 HD3 ARG 159 HD3 ARG 159 -5.756 32.291 20.715 1284 HE ARG 159 HE ARG 159 -4.940 29.725 21.689 1285 HH11 ARG 159 HH11 ARG 159 -5.198 33.106 22.480 1286 HH12 ARG 159 HH12 ARG 159 -3.922 33.063 23.651 1287 HH21 ARG 159 HH21 ARG 159 -3.259 29.656 23.230 1288 HH22 ARG 159 HH22 ARG 159 -2.819 31.101 24.076 1289 H PHE 160 H PHE 160 -8.569 32.005 24.186 1290 HA PHE 160 HA PHE 160 -9.642 31.195 26.776 1291 HB2 PHE 160 HB2 PHE 160 -10.163 33.575 27.078 1292 HB3 PHE 160 HB3 PHE 160 -8.474 33.349 26.635 1293 HD1 PHE 160 HD1 PHE 160 -11.739 34.576 25.529 1294 HD2 PHE 160 HD2 PHE 160 -7.632 34.110 24.513 1295 HE1 PHE 160 HE1 PHE 160 -12.025 36.153 23.662 1296 HE2 PHE 160 HE2 PHE 160 -7.911 35.686 22.645 1297 HZ PHE 160 HZ PHE 160 -10.109 36.711 22.218 1298 H LYS 161 H LYS 161 -11.762 30.919 27.211 1299 HA LYS 161 HA LYS 161 -13.636 31.227 24.959 1300 HB2 LYS 161 HB2 LYS 161 -13.162 28.892 25.854 1301 HB3 LYS 161 HB3 LYS 161 -13.994 29.387 27.322 1302 HG2 LYS 161 HG2 LYS 161 -15.482 29.900 24.851 1303 HG3 LYS 161 HG3 LYS 161 -15.175 28.195 25.190 1304 HD2 LYS 161 HD2 LYS 161 -15.946 29.185 27.639 1305 HD3 LYS 161 HD3 LYS 161 -16.971 30.076 26.512 1306 HE2 LYS 161 HE2 LYS 161 -17.739 27.995 25.529 1307 HE3 LYS 161 HE3 LYS 161 -16.657 27.076 26.574 1308 HZ1 LYS 161 HZ1 LYS 161 -17.964 28.328 28.434 1309 HZ2 LYS 161 HZ2 LYS 161 -18.606 26.932 27.727 1310 HZ3 LYS 161 HZ3 LYS 161 -19.157 28.456 27.242 1311 H ASP 162 H ASP 162 -15.918 31.638 25.604 1312 HA ASP 162 HA ASP 162 -17.448 33.056 26.517 1313 HB2 ASP 162 HB2 ASP 162 -17.317 31.405 28.339 1314 HB3 ASP 162 HB3 ASP 162 -16.007 32.323 29.075 Start of MODEL 10 1 H1 MET 1 H MET 1 -2.303 -5.106 -0.540 2 HA MET 1 HA MET 1 -3.024 -2.840 0.548 3 HB2 MET 1 HB2 MET 1 -0.873 -1.699 1.334 4 HB3 MET 1 HB3 MET 1 -1.602 -2.874 2.420 5 HG2 MET 1 HG2 MET 1 0.141 -4.274 2.289 6 HG3 MET 1 HG3 MET 1 0.384 -3.977 0.569 7 HE1 MET 1 HE1 MET 1 1.714 -0.890 3.705 8 HE2 MET 1 HE2 MET 1 0.068 -1.449 3.409 9 HE3 MET 1 HE3 MET 1 1.214 -2.490 4.255 10 H ALA 2 H ALA 2 -3.440 -2.441 -1.608 11 HA ALA 2 HA ALA 2 -1.575 -0.874 -3.013 12 HB1 ALA 2 HB1 ALA 2 -0.591 -2.230 -4.519 13 HB2 ALA 2 HB2 ALA 2 -0.897 -3.467 -3.300 14 HB3 ALA 2 HB3 ALA 2 -2.004 -3.277 -4.660 15 H ARG 3 H ARG 3 -3.126 0.562 -3.529 16 HA ARG 3 HA ARG 3 -4.852 0.093 -5.692 17 HB2 ARG 3 HB2 ARG 3 -7.023 0.438 -4.363 18 HB3 ARG 3 HB3 ARG 3 -6.300 -1.165 -4.347 19 HG2 ARG 3 HG2 ARG 3 -5.259 -0.609 -2.160 20 HG3 ARG 3 HG3 ARG 3 -6.157 0.910 -2.173 21 HD2 ARG 3 HD2 ARG 3 -8.081 -0.089 -1.599 22 HD3 ARG 3 HD3 ARG 3 -7.808 -1.447 -2.689 23 HE ARG 3 HE ARG 3 -6.171 -1.468 -0.314 24 HH11 ARG 3 HH11 ARG 3 -9.185 -2.444 -1.758 25 HH12 ARG 3 HH12 ARG 3 -9.444 -3.749 -0.649 26 HH21 ARG 3 HH21 ARG 3 -6.502 -3.183 1.153 27 HH22 ARG 3 HH22 ARG 3 -7.918 -4.168 1.007 28 H MET 4 H MET 4 -6.732 1.946 -5.545 29 HA MET 4 HA MET 4 -7.157 4.177 -5.634 30 HB2 MET 4 HB2 MET 4 -5.108 4.488 -3.441 31 HB3 MET 4 HB3 MET 4 -6.432 5.578 -3.829 32 HG2 MET 4 HG2 MET 4 -6.769 2.764 -2.818 33 HG3 MET 4 HG3 MET 4 -6.829 4.211 -1.814 34 HE1 MET 4 HE1 MET 4 -9.751 6.048 -2.462 35 HE2 MET 4 HE2 MET 4 -8.023 6.221 -2.768 36 HE3 MET 4 HE3 MET 4 -9.155 6.150 -4.119 37 H ASN 5 H ASN 5 -6.226 6.257 -6.286 38 HA ASN 5 HA ASN 5 -3.446 6.177 -7.166 39 HB2 ASN 5 HB2 ASN 5 -5.661 5.735 -8.928 40 HB3 ASN 5 HB3 ASN 5 -4.908 7.274 -9.336 41 HD21 ASN 5 HD21 ASN 5 -3.550 4.242 -8.110 42 HD22 ASN 5 HD22 ASN 5 -2.448 4.005 -9.420 43 H ARG 6 H ARG 6 -6.336 8.185 -7.760 44 HA ARG 6 HA ARG 6 -4.827 10.484 -6.699 45 HB2 ARG 6 HB2 ARG 6 -5.512 10.341 -9.234 46 HB3 ARG 6 HB3 ARG 6 -7.088 10.830 -8.626 47 HG2 ARG 6 HG2 ARG 6 -6.428 12.936 -8.245 48 HG3 ARG 6 HG3 ARG 6 -4.848 12.438 -7.635 49 HD2 ARG 6 HD2 ARG 6 -4.804 13.766 -9.766 50 HD3 ARG 6 HD3 ARG 6 -3.978 12.210 -9.832 51 HE ARG 6 HE ARG 6 -5.521 11.486 -11.369 52 HH11 ARG 6 HH11 ARG 6 -6.651 14.426 -9.884 53 HH12 ARG 6 HH12 ARG 6 -7.975 14.626 -10.984 54 HH21 ARG 6 HH21 ARG 6 -7.260 11.739 -12.823 55 HH22 ARG 6 HH22 ARG 6 -8.321 13.097 -12.654 56 HA PRO 7 HA PRO 7 -8.621 9.740 -4.082 57 HB2 PRO 7 HB2 PRO 7 -7.312 9.838 -1.706 58 HB3 PRO 7 HB3 PRO 7 -7.495 8.349 -2.641 59 HG2 PRO 7 HG2 PRO 7 -5.151 10.205 -2.473 60 HG3 PRO 7 HG3 PRO 7 -5.178 8.432 -2.459 61 HD2 PRO 7 HD2 PRO 7 -4.568 9.862 -4.676 62 HD3 PRO 7 HD3 PRO 7 -5.392 8.291 -4.750 63 H ALA 8 H ALA 8 -9.792 11.518 -3.777 64 HA ALA 8 HA ALA 8 -8.421 14.017 -3.049 65 HB1 ALA 8 HB1 ALA 8 -10.707 13.384 -4.786 66 HB2 ALA 8 HB2 ALA 8 -10.900 14.819 -3.778 67 HB3 ALA 8 HB3 ALA 8 -9.532 14.696 -4.883 68 HA PRO 9 HA PRO 9 -10.490 13.024 0.886 69 HB2 PRO 9 HB2 PRO 9 -8.795 14.521 2.389 70 HB3 PRO 9 HB3 PRO 9 -8.418 12.874 1.868 71 HG2 PRO 9 HG2 PRO 9 -7.529 15.481 0.696 72 HG3 PRO 9 HG3 PRO 9 -6.588 14.007 0.987 73 HD2 PRO 9 HD2 PRO 9 -7.552 14.661 -1.457 74 HD3 PRO 9 HD3 PRO 9 -7.374 12.978 -0.920 75 H VAL 10 H VAL 10 -10.646 14.898 2.829 76 HA VAL 10 HA VAL 10 -11.839 17.258 1.530 77 HB VAL 10 HB VAL 10 -13.015 15.514 3.677 78 HG11 VAL 10 HG11 VAL 10 -13.164 17.702 4.612 79 HG12 VAL 10 HG12 VAL 10 -13.682 18.389 3.071 80 HG13 VAL 10 HG13 VAL 10 -14.750 17.299 3.956 81 HG21 VAL 10 HG21 VAL 10 -14.229 16.703 1.187 82 HG22 VAL 10 HG22 VAL 10 -13.535 15.084 1.284 83 HG23 VAL 10 HG23 VAL 10 -14.951 15.496 2.251 84 H GLU 11 H GLU 11 -10.732 18.993 2.131 85 HA GLU 11 HA GLU 11 -9.396 19.034 4.730 86 HB2 GLU 11 HB2 GLU 11 -7.866 19.734 3.148 87 HB3 GLU 11 HB3 GLU 11 -9.084 20.548 2.176 88 HG2 GLU 11 HG2 GLU 11 -8.518 21.634 4.876 89 HG3 GLU 11 HG3 GLU 11 -7.309 21.874 3.616 90 H VAL 12 H VAL 12 -10.279 20.023 6.411 91 HA VAL 12 HA VAL 12 -12.391 22.016 5.925 92 HB VAL 12 HB VAL 12 -13.312 20.232 7.172 93 HG11 VAL 12 HG11 VAL 12 -12.303 19.331 9.208 94 HG12 VAL 12 HG12 VAL 12 -11.224 19.149 7.824 95 HG13 VAL 12 HG13 VAL 12 -10.930 20.419 9.013 96 HG21 VAL 12 HG21 VAL 12 -14.030 21.287 9.168 97 HG22 VAL 12 HG22 VAL 12 -12.551 22.240 9.281 98 HG23 VAL 12 HG23 VAL 12 -13.724 22.580 8.009 99 H SER 13 H SER 13 -11.533 23.999 5.989 100 HA SER 13 HA SER 13 -9.385 24.609 7.863 101 HB2 SER 13 HB2 SER 13 -8.757 26.178 6.376 102 HB3 SER 13 HB3 SER 13 -9.942 25.463 5.283 103 HG SER 13 HG SER 13 -11.462 26.963 6.036 104 H TYR 14 H TYR 14 -9.786 25.409 9.806 105 HA TYR 14 HA TYR 14 -12.417 26.561 10.363 106 HB2 TYR 14 HB2 TYR 14 -10.873 24.761 11.768 107 HB3 TYR 14 HB3 TYR 14 -10.579 26.271 12.624 108 HD1 TYR 14 HD2 TYR 14 -13.490 24.431 11.157 109 HD2 TYR 14 HD1 TYR 14 -11.963 26.714 14.407 110 HE1 TYR 14 HE2 TYR 14 -15.633 24.174 12.338 111 HE2 TYR 14 HE1 TYR 14 -14.101 26.462 15.596 112 HH TYR 14 HH TYR 14 -16.354 24.228 14.874 113 H LYS 15 H LYS 15 -11.781 28.081 12.601 114 HA LYS 15 HA LYS 15 -11.271 30.579 11.555 115 HB2 LYS 15 HB2 LYS 15 -10.813 31.290 13.893 116 HB3 LYS 15 HB3 LYS 15 -12.273 30.323 13.734 117 HG2 LYS 15 HG2 LYS 15 -10.705 28.342 14.350 118 HG3 LYS 15 HG3 LYS 15 -9.660 29.615 14.985 119 HD2 LYS 15 HD2 LYS 15 -12.565 29.334 15.731 120 HD3 LYS 15 HD3 LYS 15 -11.254 28.583 16.644 121 HE2 LYS 15 HE2 LYS 15 -11.527 30.552 17.799 122 HE3 LYS 15 HE3 LYS 15 -10.270 31.006 16.650 123 HZ1 LYS 15 HZ1 LYS 15 -11.726 32.255 15.411 124 HZ2 LYS 15 HZ2 LYS 15 -12.318 32.526 16.972 125 HZ3 LYS 15 HZ3 LYS 15 -13.097 31.424 15.953 126 H HIS 16 H HIS 16 -8.970 28.458 13.256 127 HA HIS 16 HA HIS 16 -6.795 29.695 11.746 128 HB2 HIS 16 HB2 HIS 16 -7.269 30.519 14.309 129 HB3 HIS 16 HB3 HIS 16 -6.122 29.209 14.571 130 HD1 HIS 16 HD1 HIS 16 -4.044 30.498 15.100 131 HD2 HIS 16 HD2 HIS 16 -5.899 31.834 11.631 132 HE1 HIS 16 HE1 HIS 16 -2.451 32.155 14.081 133 H MET 17 H MET 17 -8.039 27.160 11.460 134 HA MET 17 HA MET 17 -5.703 25.470 11.822 135 HB2 MET 17 HB2 MET 17 -8.380 24.427 12.717 136 HB3 MET 17 HB3 MET 17 -6.791 23.723 12.982 137 HG2 MET 17 HG2 MET 17 -6.224 25.462 14.540 138 HG3 MET 17 HG3 MET 17 -7.731 26.308 14.197 139 HE1 MET 17 HE1 MET 17 -9.443 26.341 15.319 140 HE2 MET 17 HE2 MET 17 -10.328 25.019 16.080 141 HE3 MET 17 HE3 MET 17 -9.169 25.960 17.019 142 H ARG 18 H ARG 18 -6.215 23.214 10.807 143 HA ARG 18 HA ARG 18 -8.188 23.173 8.730 144 HB2 ARG 18 HB2 ARG 18 -6.257 24.658 7.880 145 HB3 ARG 18 HB3 ARG 18 -5.339 23.162 7.768 146 HG2 ARG 18 HG2 ARG 18 -6.803 22.271 6.143 147 HG3 ARG 18 HG3 ARG 18 -7.999 23.539 6.426 148 HD2 ARG 18 HD2 ARG 18 -5.227 24.012 5.338 149 HD3 ARG 18 HD3 ARG 18 -6.674 23.848 4.344 150 HE ARG 18 HE ARG 18 -6.839 25.888 6.377 151 HH11 ARG 18 HH11 ARG 18 -5.942 25.138 3.098 152 HH12 ARG 18 HH12 ARG 18 -6.088 26.773 2.546 153 HH21 ARG 18 HH21 ARG 18 -7.035 28.045 5.662 154 HH22 ARG 18 HH22 ARG 18 -6.709 28.426 4.006 155 H PHE 19 H PHE 19 -8.856 21.149 9.030 156 HA PHE 19 HA PHE 19 -6.855 19.038 9.443 157 HB2 PHE 19 HB2 PHE 19 -9.804 19.171 10.076 158 HB3 PHE 19 HB3 PHE 19 -8.873 17.680 10.172 159 HD1 PHE 19 HD1 PHE 19 -7.830 21.106 11.137 160 HD2 PHE 19 HD2 PHE 19 -8.876 17.194 12.448 161 HE1 PHE 19 HE1 PHE 19 -7.138 21.691 13.425 162 HE2 PHE 19 HE2 PHE 19 -8.187 17.773 14.738 163 HZ PHE 19 HZ PHE 19 -7.317 20.024 15.229 164 H LEU 20 H LEU 20 -7.802 16.814 8.594 165 HA LEU 20 HA LEU 20 -8.941 17.166 5.917 166 HB2 LEU 20 HB2 LEU 20 -6.222 16.463 6.513 167 HB3 LEU 20 HB3 LEU 20 -7.024 15.123 5.696 168 HG LEU 20 HG LEU 20 -5.939 16.425 4.033 169 HD11 LEU 20 HD11 LEU 20 -7.692 16.142 2.710 170 HD12 LEU 20 HD12 LEU 20 -8.395 17.643 3.312 171 HD13 LEU 20 HD13 LEU 20 -8.759 16.115 4.114 172 HD21 LEU 20 HD21 LEU 20 -5.846 18.484 5.548 173 HD22 LEU 20 HD22 LEU 20 -7.435 18.881 4.893 174 HD23 LEU 20 HD23 LEU 20 -6.043 18.751 3.816 175 H ILE 21 H ILE 21 -10.793 16.071 6.123 176 HA ILE 21 HA ILE 21 -10.883 13.593 7.647 177 HB ILE 21 HB ILE 21 -13.376 13.784 6.676 178 HG12 ILE 21 HG12 ILE 21 -12.477 15.945 5.475 179 HG13 ILE 21 HG13 ILE 21 -14.084 15.932 6.192 180 HG21 ILE 21 HG21 ILE 21 -13.941 15.017 8.762 181 HG22 ILE 21 HG22 ILE 21 -12.862 13.646 9.012 182 HG23 ILE 21 HG23 ILE 21 -12.217 15.287 9.016 183 HD11 ILE 21 HD11 ILE 21 -11.755 16.866 7.801 184 HD12 ILE 21 HD12 ILE 21 -12.493 17.933 6.606 185 HD13 ILE 21 HD13 ILE 21 -13.460 17.294 7.935 186 H THR 22 H THR 22 -10.663 11.658 6.756 187 HA THR 22 HA THR 22 -10.804 11.420 3.836 188 HB THR 22 HB THR 22 -8.722 10.628 4.738 189 HG1 THR 22 HG1 THR 22 -10.073 9.284 3.148 190 HG21 THR 22 HG21 THR 22 -10.430 8.939 6.563 191 HG22 THR 22 HG22 THR 22 -9.294 10.207 7.025 192 HG23 THR 22 HG23 THR 22 -8.698 8.697 6.337 193 H HIS 23 H HIS 23 -11.976 9.751 2.834 194 HA HIS 23 HA HIS 23 -14.505 9.211 3.917 195 HB2 HIS 23 HB2 HIS 23 -13.026 7.873 1.645 196 HB3 HIS 23 HB3 HIS 23 -14.726 7.598 2.015 197 HD1 HIS 23 HD1 HIS 23 -14.829 10.890 2.704 198 HD2 HIS 23 HD2 HIS 23 -14.009 8.914 -0.858 199 HE1 HIS 23 HE1 HIS 23 -15.329 12.551 0.883 200 H ASN 24 H ASN 24 -12.257 6.635 2.957 201 HA ASN 24 HA ASN 24 -11.937 5.426 5.444 202 HB2 ASN 24 HB2 ASN 24 -14.554 5.031 4.344 203 HB3 ASN 24 HB3 ASN 24 -13.701 3.490 4.357 204 HD21 ASN 24 HD21 ASN 24 -15.592 5.542 6.120 205 HD22 ASN 24 HD22 ASN 24 -15.264 4.935 7.704 206 HA PRO 25 HA PRO 25 -10.898 2.181 2.027 207 HB2 PRO 25 HB2 PRO 25 -11.693 2.729 -0.510 208 HB3 PRO 25 HB3 PRO 25 -12.703 1.851 0.644 209 HG2 PRO 25 HG2 PRO 25 -12.796 4.739 -0.140 210 HG3 PRO 25 HG3 PRO 25 -14.135 3.602 0.103 211 HD2 PRO 25 HD2 PRO 25 -13.408 5.420 1.974 212 HD3 PRO 25 HD3 PRO 25 -14.078 3.831 2.396 213 H THR 26 H THR 26 -10.703 5.582 1.561 214 HA THR 26 HA THR 26 -8.787 5.787 -0.456 215 HB THR 26 HB THR 26 -9.106 7.579 1.960 216 HG1 THR 26 HG1 THR 26 -10.245 8.813 0.142 217 HG21 THR 26 HG21 THR 26 -7.133 8.344 1.091 218 HG22 THR 26 HG22 THR 26 -8.258 9.234 0.064 219 HG23 THR 26 HG23 THR 26 -7.496 7.760 -0.533 220 H ASN 27 H ASN 27 -8.497 4.677 2.788 221 HA ASN 27 HA ASN 27 -5.567 4.586 2.484 222 HB2 ASN 27 HB2 ASN 27 -5.398 4.724 4.945 223 HB3 ASN 27 HB3 ASN 27 -6.165 6.152 4.257 224 HD21 ASN 27 HD21 ASN 27 -6.443 3.595 6.452 225 HD22 ASN 27 HD22 ASN 27 -8.072 3.882 6.954 226 H ALA 28 H ALA 28 -7.242 2.585 1.497 227 HA ALA 28 HA ALA 28 -7.364 0.435 3.427 228 HB1 ALA 28 HB1 ALA 28 -7.894 0.387 0.458 229 HB2 ALA 28 HB2 ALA 28 -8.298 -0.883 1.614 230 HB3 ALA 28 HB3 ALA 28 -9.101 0.684 1.710 231 H THR 29 H THR 29 -4.982 1.745 1.475 232 HA THR 29 HA THR 29 -3.454 -0.775 1.537 233 HB THR 29 HB THR 29 -3.746 -0.452 -0.753 234 HG1 THR 29 HG1 THR 29 -1.646 0.556 -1.425 235 HG21 THR 29 HG21 THR 29 -3.263 2.499 -0.325 236 HG22 THR 29 HG22 THR 29 -4.819 1.737 -0.653 237 HG23 THR 29 HG23 THR 29 -3.554 1.723 -1.881 238 H LEU 30 H LEU 30 -3.551 2.622 2.183 239 HA LEU 30 HA LEU 30 -2.212 3.944 3.470 240 HB2 LEU 30 HB2 LEU 30 -1.897 1.678 4.687 241 HB3 LEU 30 HB3 LEU 30 -0.322 1.661 3.896 242 HG LEU 30 HG LEU 30 0.057 3.939 4.996 243 HD11 LEU 30 HD11 LEU 30 -2.536 3.853 5.633 244 HD12 LEU 30 HD12 LEU 30 -1.341 4.729 6.589 245 HD13 LEU 30 HD13 LEU 30 -1.863 3.121 7.090 246 HD21 LEU 30 HD21 LEU 30 -0.100 2.119 7.247 247 HD22 LEU 30 HD22 LEU 30 1.313 2.808 6.446 248 HD23 LEU 30 HD23 LEU 30 0.565 1.342 5.810 249 H SER 31 H SER 31 -1.532 2.756 0.589 250 HA SER 31 HA SER 31 1.242 3.563 0.358 251 HB2 SER 31 HB2 SER 31 0.802 1.753 -1.041 252 HB3 SER 31 HB3 SER 31 -0.783 2.370 -1.509 253 HG SER 31 HG SER 31 1.734 2.970 -2.519 254 H THR 32 H THR 32 -1.804 4.553 -1.216 255 HA THR 32 HA THR 32 -0.602 7.053 -2.061 256 HB THR 32 HB THR 32 -3.475 6.177 -2.391 257 HG1 THR 32 HG1 THR 32 -1.565 5.989 -4.448 258 HG21 THR 32 HG21 THR 32 -1.779 8.245 -3.793 259 HG22 THR 32 HG22 THR 32 -3.181 8.540 -2.764 260 HG23 THR 32 HG23 THR 32 -3.384 7.745 -4.325 261 H PHE 33 H PHE 33 -2.451 5.885 0.568 262 HA PHE 33 HA PHE 33 -3.919 8.149 1.295 263 HB2 PHE 33 HB2 PHE 33 -4.517 6.291 2.527 264 HB3 PHE 33 HB3 PHE 33 -2.849 5.777 2.760 265 HD1 PHE 33 HD1 PHE 33 -5.031 8.671 3.658 266 HD2 PHE 33 HD2 PHE 33 -2.013 5.932 4.885 267 HE1 PHE 33 HE1 PHE 33 -5.045 9.668 5.908 268 HE2 PHE 33 HE2 PHE 33 -2.023 6.924 7.136 269 HZ PHE 33 HZ PHE 33 -3.541 8.794 7.650 270 H ILE 34 H ILE 34 -0.660 7.143 2.311 271 HA ILE 34 HA ILE 34 -0.102 9.294 3.993 272 HB ILE 34 HB ILE 34 1.898 7.839 2.261 273 HG12 ILE 34 HG12 ILE 34 1.097 7.139 5.084 274 HG13 ILE 34 HG13 ILE 34 0.354 6.387 3.677 275 HG21 ILE 34 HG21 ILE 34 3.421 9.111 3.250 276 HG22 ILE 34 HG22 ILE 34 2.156 9.954 4.142 277 HG23 ILE 34 HG23 ILE 34 2.901 8.508 4.823 278 HD11 ILE 34 HD11 ILE 34 3.321 6.364 4.058 279 HD12 ILE 34 HD12 ILE 34 2.280 5.168 4.832 280 HD13 ILE 34 HD13 ILE 34 2.317 5.300 3.073 281 H GLU 35 H GLU 35 0.374 8.947 0.502 282 HA GLU 35 HA GLU 35 1.714 11.404 0.116 283 HB2 GLU 35 HB2 GLU 35 -0.019 10.053 -1.944 284 HB3 GLU 35 HB3 GLU 35 1.404 11.051 -2.208 285 HG2 GLU 35 HG2 GLU 35 2.251 8.915 -0.609 286 HG3 GLU 35 HG3 GLU 35 1.209 8.217 -1.847 287 H ASP 36 H ASP 36 -1.673 10.519 0.245 288 HA ASP 36 HA ASP 36 -2.772 12.856 -0.855 289 HB2 ASP 36 HB2 ASP 36 -3.779 10.498 0.136 290 HB3 ASP 36 HB3 ASP 36 -4.325 11.670 1.333 291 H LEU 37 H LEU 37 -2.214 11.989 2.556 292 HA LEU 37 HA LEU 37 -2.968 14.566 3.523 293 HB2 LEU 37 HB2 LEU 37 -2.148 13.778 5.675 294 HB3 LEU 37 HB3 LEU 37 -3.190 12.583 4.905 295 HG LEU 37 HG LEU 37 -0.928 11.541 4.114 296 HD11 LEU 37 HD11 LEU 37 0.946 12.403 4.922 297 HD12 LEU 37 HD12 LEU 37 0.350 12.235 6.572 298 HD13 LEU 37 HD13 LEU 37 0.007 13.703 5.657 299 HD21 LEU 37 HD21 LEU 37 -2.422 11.324 6.645 300 HD22 LEU 37 HD22 LEU 37 -0.824 10.579 6.628 301 HD23 LEU 37 HD23 LEU 37 -2.037 10.094 5.441 302 H LYS 38 H LYS 38 -0.070 13.209 2.271 303 HA LYS 38 HA LYS 38 1.698 15.129 3.503 304 HB2 LYS 38 HB2 LYS 38 1.990 12.870 1.580 305 HB3 LYS 38 HB3 LYS 38 3.237 14.110 1.586 306 HG2 LYS 38 HG2 LYS 38 3.196 13.683 4.177 307 HG3 LYS 38 HG3 LYS 38 2.516 12.130 3.684 308 HD2 LYS 38 HD2 LYS 38 5.093 13.280 2.616 309 HD3 LYS 38 HD3 LYS 38 4.994 12.113 3.937 310 HE2 LYS 38 HE2 LYS 38 5.194 10.581 2.309 311 HE3 LYS 38 HE3 LYS 38 3.482 10.898 2.032 312 HZ1 LYS 38 HZ1 LYS 38 4.103 12.534 0.356 313 HZ2 LYS 38 HZ2 LYS 38 4.723 11.007 -0.026 314 HZ3 LYS 38 HZ3 LYS 38 5.742 12.198 0.610 315 H LYS 39 H LYS 39 0.076 14.709 0.413 316 HA LYS 39 HA LYS 39 1.424 16.891 -0.867 317 HB2 LYS 39 HB2 LYS 39 -0.100 16.533 -2.698 318 HB3 LYS 39 HB3 LYS 39 0.439 14.967 -2.103 319 HG2 LYS 39 HG2 LYS 39 -1.645 14.644 -0.936 320 HG3 LYS 39 HG3 LYS 39 -2.183 16.263 -1.387 321 HD2 LYS 39 HD2 LYS 39 -3.234 14.712 -2.867 322 HD3 LYS 39 HD3 LYS 39 -1.992 15.566 -3.785 323 HE2 LYS 39 HE2 LYS 39 -0.504 13.699 -3.631 324 HE3 LYS 39 HE3 LYS 39 -1.575 12.872 -2.500 325 HZ1 LYS 39 HZ1 LYS 39 -2.984 12.246 -4.146 326 HZ2 LYS 39 HZ2 LYS 39 -1.560 12.310 -5.057 327 HZ3 LYS 39 HZ3 LYS 39 -2.661 13.594 -5.116 328 H TYR 40 H TYR 40 -1.615 16.458 0.852 329 HA TYR 40 HA TYR 40 -2.707 18.998 0.207 330 HB2 TYR 40 HB2 TYR 40 -3.350 16.795 2.076 331 HB3 TYR 40 HB3 TYR 40 -3.948 18.387 2.529 332 HD1 TYR 40 HD2 TYR 40 -3.854 16.056 -0.386 333 HD2 TYR 40 HD1 TYR 40 -5.979 19.111 1.678 334 HE1 TYR 40 HE2 TYR 40 -5.745 15.779 -1.934 335 HE2 TYR 40 HE1 TYR 40 -7.876 18.842 0.136 336 HH TYR 40 HH TYR 40 -7.708 16.615 -2.611 337 H GLY 41 H GLY 41 -0.115 18.125 2.143 338 HA2 GLY 41 HA2 GLY 41 1.294 19.545 3.330 339 HA3 GLY 41 HA3 GLY 41 0.080 20.810 3.206 340 H ALA 42 H ALA 42 -0.543 17.585 4.447 341 HA ALA 42 HA ALA 42 -1.180 18.792 7.049 342 HB1 ALA 42 HB1 ALA 42 -2.111 16.208 5.805 343 HB2 ALA 42 HB2 ALA 42 -2.535 16.754 7.428 344 HB3 ALA 42 HB3 ALA 42 -3.054 17.683 6.022 345 H THR 43 H THR 43 0.188 18.476 8.664 346 HA THR 43 HA THR 43 2.215 16.391 8.457 347 HB THR 43 HB THR 43 3.405 17.506 10.177 348 HG1 THR 43 HG1 THR 43 0.914 18.740 10.719 349 HG21 THR 43 HG21 THR 43 3.691 19.720 9.313 350 HG22 THR 43 HG22 THR 43 2.067 19.720 8.625 351 HG23 THR 43 HG23 THR 43 3.309 18.664 7.954 352 H THR 44 H THR 44 -0.541 15.645 8.990 353 HA THR 44 HA THR 44 -0.077 14.152 11.459 354 HB THR 44 HB THR 44 -2.833 14.810 11.474 355 HG1 THR 44 HG1 THR 44 -1.288 17.178 11.612 356 HG21 THR 44 HG21 THR 44 -2.428 15.397 13.686 357 HG22 THR 44 HG22 THR 44 -0.820 16.027 13.329 358 HG23 THR 44 HG23 THR 44 -1.103 14.287 13.339 359 H VAL 45 H VAL 45 -1.081 12.153 11.536 360 HA VAL 45 HA VAL 45 -2.097 11.195 8.970 361 HB VAL 45 HB VAL 45 -1.626 9.415 11.331 362 HG11 VAL 45 HG11 VAL 45 -2.471 8.154 9.611 363 HG12 VAL 45 HG12 VAL 45 -1.724 9.155 8.364 364 HG13 VAL 45 HG13 VAL 45 -0.743 8.019 9.291 365 HG21 VAL 45 HG21 VAL 45 0.355 10.843 11.196 366 HG22 VAL 45 HG22 VAL 45 0.724 9.188 10.708 367 HG23 VAL 45 HG23 VAL 45 0.528 10.446 9.486 368 H VAL 46 H VAL 46 -4.101 10.315 8.675 369 HA VAL 46 HA VAL 46 -6.164 11.116 10.476 370 HB VAL 46 HB VAL 46 -7.704 10.340 8.897 371 HG11 VAL 46 HG11 VAL 46 -6.587 12.171 7.931 372 HG12 VAL 46 HG12 VAL 46 -5.170 11.199 7.528 373 HG13 VAL 46 HG13 VAL 46 -6.683 10.960 6.653 374 HG21 VAL 46 HG21 VAL 46 -6.609 8.810 6.970 375 HG22 VAL 46 HG22 VAL 46 -5.648 8.295 8.357 376 HG23 VAL 46 HG23 VAL 46 -7.406 8.156 8.401 377 H ARG 47 H ARG 47 -4.243 9.292 11.637 378 HA ARG 47 HA ARG 47 -5.206 6.662 11.812 379 HB2 ARG 47 HB2 ARG 47 -3.331 8.358 13.344 380 HB3 ARG 47 HB3 ARG 47 -4.021 7.001 14.224 381 HG2 ARG 47 HG2 ARG 47 -3.305 5.651 12.098 382 HG3 ARG 47 HG3 ARG 47 -2.198 7.006 11.873 383 HD2 ARG 47 HD2 ARG 47 -0.826 5.897 13.245 384 HD3 ARG 47 HD3 ARG 47 -1.903 6.426 14.537 385 HE ARG 47 HE ARG 47 -2.650 3.951 13.239 386 HH11 ARG 47 HH11 ARG 47 -0.926 5.466 15.857 387 HH12 ARG 47 HH12 ARG 47 -0.936 4.050 16.856 388 HH21 ARG 47 HH21 ARG 47 -2.669 2.080 14.545 389 HH22 ARG 47 HH22 ARG 47 -1.927 2.124 16.108 390 H VAL 48 H VAL 48 -6.745 9.424 12.709 391 HA VAL 48 HA VAL 48 -7.859 8.724 15.221 392 HB VAL 48 HB VAL 48 -8.831 10.620 13.084 393 HG11 VAL 48 HG11 VAL 48 -10.039 11.476 15.341 394 HG12 VAL 48 HG12 VAL 48 -10.809 10.428 14.149 395 HG13 VAL 48 HG13 VAL 48 -10.081 9.732 15.597 396 HG21 VAL 48 HG21 VAL 48 -7.081 10.844 15.474 397 HG22 VAL 48 HG22 VAL 48 -6.957 11.636 13.903 398 HG23 VAL 48 HG23 VAL 48 -8.133 12.206 15.087 399 H CYS 49 H CYS 49 -8.398 6.474 14.799 400 HA CYS 49 HA CYS 49 -11.122 6.046 14.424 401 HB2 CYS 49 HB2 CYS 49 -11.199 4.893 12.275 402 HB3 CYS 49 HB3 CYS 49 -10.656 6.552 12.058 403 HG CYS 49 HG CYS 49 -8.058 5.981 11.522 404 H GLU 50 H GLU 50 -11.127 3.438 13.389 405 HA GLU 50 HA GLU 50 -10.138 2.003 15.654 406 HB2 GLU 50 HB2 GLU 50 -11.080 0.026 14.551 407 HB3 GLU 50 HB3 GLU 50 -12.227 1.357 14.569 408 HG2 GLU 50 HG2 GLU 50 -11.221 1.840 12.197 409 HG3 GLU 50 HG3 GLU 50 -10.772 0.138 12.282 410 H VAL 51 H VAL 51 -7.892 3.007 14.895 411 HA VAL 51 HA VAL 51 -6.484 1.562 12.875 412 HB VAL 51 HB VAL 51 -4.452 2.636 13.850 413 HG11 VAL 51 HG11 VAL 51 -5.723 3.742 12.096 414 HG12 VAL 51 HG12 VAL 51 -6.785 4.470 13.304 415 HG13 VAL 51 HG13 VAL 51 -5.082 4.925 13.235 416 HG21 VAL 51 HG21 VAL 51 -5.860 4.500 15.541 417 HG22 VAL 51 HG22 VAL 51 -6.049 2.848 16.128 418 HG23 VAL 51 HG23 VAL 51 -4.436 3.521 15.892 419 H THR 52 H THR 52 -4.996 -0.080 13.074 420 HA THR 52 HA THR 52 -4.417 -1.201 15.692 421 HB THR 52 HB THR 52 -5.254 -3.383 15.278 422 HG1 THR 52 HG1 THR 52 -6.270 -3.884 13.250 423 HG21 THR 52 HG21 THR 52 -7.354 -1.415 14.359 424 HG22 THR 52 HG22 THR 52 -6.948 -1.778 16.036 425 HG23 THR 52 HG23 THR 52 -7.658 -3.024 15.011 426 H TYR 53 H TYR 53 -2.749 0.065 13.818 427 HA TYR 53 HA TYR 53 -0.897 -2.124 13.262 428 HB2 TYR 53 HB2 TYR 53 -0.945 -1.943 11.030 429 HB3 TYR 53 HB3 TYR 53 -2.403 -0.975 11.221 430 HD1 TYR 53 HD2 TYR 53 -1.978 1.586 11.684 431 HD2 TYR 53 HD1 TYR 53 0.847 -1.037 9.882 432 HE1 TYR 53 HE2 TYR 53 -0.832 3.518 10.681 433 HE2 TYR 53 HE1 TYR 53 2.001 0.887 8.876 434 HH TYR 53 HH TYR 53 1.770 3.115 8.370 435 H ASP 54 H ASP 54 1.279 -1.524 13.257 436 HA ASP 54 HA ASP 54 1.882 0.813 14.805 437 HB2 ASP 54 HB2 ASP 54 3.348 -1.561 13.830 438 HB3 ASP 54 HB3 ASP 54 4.318 -0.108 14.052 439 H LYS 55 H LYS 55 2.489 2.760 14.116 440 HA LYS 55 HA LYS 55 2.414 3.440 11.372 441 HB2 LYS 55 HB2 LYS 55 3.466 5.636 12.296 442 HB3 LYS 55 HB3 LYS 55 1.826 5.202 12.761 443 HG2 LYS 55 HG2 LYS 55 2.381 4.868 14.920 444 HG3 LYS 55 HG3 LYS 55 3.973 4.216 14.524 445 HD2 LYS 55 HD2 LYS 55 4.920 6.343 14.312 446 HD3 LYS 55 HD3 LYS 55 3.347 7.126 14.143 447 HE2 LYS 55 HE2 LYS 55 4.391 7.533 16.342 448 HE3 LYS 55 HE3 LYS 55 2.841 6.702 16.464 449 HZ1 LYS 55 HZ1 LYS 55 5.474 5.335 16.547 450 HZ2 LYS 55 HZ2 LYS 55 3.959 4.639 16.833 451 HZ3 LYS 55 HZ3 LYS 55 4.587 5.772 17.920 452 H THR 56 H THR 56 3.905 2.570 10.049 453 HA THR 56 HA THR 56 6.721 2.590 10.856 454 HB THR 56 HB THR 56 6.879 0.661 9.759 455 HG1 THR 56 HG1 THR 56 6.188 0.720 7.397 456 HG21 THR 56 HG21 THR 56 4.562 0.295 10.406 457 HG22 THR 56 HG22 THR 56 4.869 -0.415 8.821 458 HG23 THR 56 HG23 THR 56 4.005 1.117 8.949 459 HA PRO 57 HA PRO 57 6.827 4.891 6.605 460 HB2 PRO 57 HB2 PRO 57 4.442 5.588 5.510 461 HB3 PRO 57 HB3 PRO 57 5.237 4.044 5.179 462 HG2 PRO 57 HG2 PRO 57 3.012 4.660 7.085 463 HG3 PRO 57 HG3 PRO 57 3.190 3.284 5.981 464 HD2 PRO 57 HD2 PRO 57 3.739 3.109 8.626 465 HD3 PRO 57 HD3 PRO 57 4.615 2.164 7.405 466 H LEU 58 H LEU 58 3.652 6.086 7.661 467 HA LEU 58 HA LEU 58 4.213 8.768 7.594 468 HB2 LEU 58 HB2 LEU 58 2.311 9.120 8.970 469 HB3 LEU 58 HB3 LEU 58 1.982 7.718 7.954 470 HG LEU 58 HG LEU 58 1.116 7.286 10.138 471 HD11 LEU 58 HD11 LEU 58 3.681 5.750 10.140 472 HD12 LEU 58 HD12 LEU 58 2.500 5.518 8.852 473 HD13 LEU 58 HD13 LEU 58 2.049 5.206 10.528 474 HD21 LEU 58 HD21 LEU 58 2.087 7.854 12.083 475 HD22 LEU 58 HD22 LEU 58 3.051 8.934 11.074 476 HD23 LEU 58 HD23 LEU 58 3.693 7.360 11.546 477 H GLU 59 H GLU 59 5.364 6.448 9.833 478 HA GLU 59 HA GLU 59 5.883 8.203 12.017 479 HB2 GLU 59 HB2 GLU 59 5.792 5.933 12.593 480 HB3 GLU 59 HB3 GLU 59 6.832 5.456 11.259 481 HG2 GLU 59 HG2 GLU 59 7.982 5.259 13.387 482 HG3 GLU 59 HG3 GLU 59 8.744 6.474 12.363 483 H LYS 60 H LYS 60 7.976 6.804 9.496 484 HA LYS 60 HA LYS 60 10.234 8.389 10.270 485 HB2 LYS 60 HB2 LYS 60 9.845 6.917 7.663 486 HB3 LYS 60 HB3 LYS 60 11.367 7.387 8.408 487 HG2 LYS 60 HG2 LYS 60 9.432 5.313 9.417 488 HG3 LYS 60 HG3 LYS 60 11.018 5.026 8.696 489 HD2 LYS 60 HD2 LYS 60 12.103 6.129 10.555 490 HD3 LYS 60 HD3 LYS 60 10.540 6.563 11.250 491 HE2 LYS 60 HE2 LYS 60 10.704 4.675 12.429 492 HE3 LYS 60 HE3 LYS 60 10.349 3.835 10.921 493 HZ1 LYS 60 HZ1 LYS 60 12.759 3.744 10.500 494 HZ2 LYS 60 HZ2 LYS 60 12.312 2.910 11.902 495 HZ3 LYS 60 HZ3 LYS 60 13.041 4.432 12.020 496 H ASP 61 H ASP 61 7.473 8.932 8.363 497 HA ASP 61 HA ASP 61 8.620 10.849 6.564 498 HB2 ASP 61 HB2 ASP 61 6.012 9.640 7.018 499 HB3 ASP 61 HB3 ASP 61 5.888 11.365 6.683 500 H GLY 62 H GLY 62 8.118 10.945 9.809 501 HA2 GLY 62 HA2 GLY 62 8.231 12.676 11.321 502 HA3 GLY 62 HA3 GLY 62 8.521 13.757 9.966 503 H ILE 63 H ILE 63 5.687 11.738 10.084 504 HA ILE 63 HA ILE 63 4.042 14.154 10.294 505 HB ILE 63 HB ILE 63 3.371 11.378 9.320 506 HG12 ILE 63 HG12 ILE 63 3.123 13.893 7.716 507 HG13 ILE 63 HG13 ILE 63 4.714 13.174 7.938 508 HG21 ILE 63 HG21 ILE 63 1.159 12.253 8.769 509 HG22 ILE 63 HG22 ILE 63 1.464 12.337 10.503 510 HG23 ILE 63 HG23 ILE 63 1.577 13.794 9.517 511 HD11 ILE 63 HD11 ILE 63 3.708 12.447 5.858 512 HD12 ILE 63 HD12 ILE 63 3.901 11.088 6.966 513 HD13 ILE 63 HD13 ILE 63 2.313 11.819 6.735 514 H THR 64 H THR 64 2.626 14.491 11.919 515 HA THR 64 HA THR 64 2.925 13.112 14.354 516 HB THR 64 HB THR 64 0.857 15.087 13.401 517 HG1 THR 64 HG1 THR 64 2.951 15.249 15.333 518 HG21 THR 64 HG21 THR 64 -0.277 13.704 15.017 519 HG22 THR 64 HG22 THR 64 0.141 15.237 15.782 520 HG23 THR 64 HG23 THR 64 1.097 13.794 16.118 521 H VAL 65 H VAL 65 2.155 11.199 14.932 522 HA VAL 65 HA VAL 65 0.132 9.868 13.374 523 HB VAL 65 HB VAL 65 1.911 8.500 14.190 524 HG11 VAL 65 HG11 VAL 65 2.942 9.052 16.079 525 HG12 VAL 65 HG12 VAL 65 1.594 10.078 16.574 526 HG13 VAL 65 HG13 VAL 65 1.585 8.357 16.964 527 HG21 VAL 65 HG21 VAL 65 0.467 6.834 14.443 528 HG22 VAL 65 HG22 VAL 65 0.164 7.333 16.107 529 HG23 VAL 65 HG23 VAL 65 -0.812 7.995 14.796 530 H VAL 66 H VAL 66 -1.934 10.415 13.632 531 HA VAL 66 HA VAL 66 -2.914 11.041 16.333 532 HB VAL 66 HB VAL 66 -4.452 11.543 13.800 533 HG11 VAL 66 HG11 VAL 66 -5.728 13.020 15.082 534 HG12 VAL 66 HG12 VAL 66 -5.450 11.654 16.164 535 HG13 VAL 66 HG13 VAL 66 -4.502 13.131 16.344 536 HG21 VAL 66 HG21 VAL 66 -3.534 13.782 13.699 537 HG22 VAL 66 HG22 VAL 66 -2.504 13.452 15.092 538 HG23 VAL 66 HG23 VAL 66 -2.233 12.597 13.573 539 H ASP 67 H ASP 67 -3.226 8.939 17.078 540 HA ASP 67 HA ASP 67 -5.277 7.373 15.656 541 HB2 ASP 67 HB2 ASP 67 -4.347 5.458 17.104 542 HB3 ASP 67 HB3 ASP 67 -3.363 6.016 15.753 543 H TRP 68 H TRP 68 -7.215 7.620 16.537 544 HA TRP 68 HA TRP 68 -7.483 7.399 19.441 545 HB2 TRP 68 HB2 TRP 68 -8.908 9.553 17.870 546 HB3 TRP 68 HB3 TRP 68 -8.938 9.308 19.614 547 HD1 TRP 68 HD1 TRP 68 -7.481 11.575 17.269 548 HE1 TRP 68 HE1 TRP 68 -5.314 12.645 18.153 549 HE3 TRP 68 HE3 TRP 68 -6.503 8.362 21.122 550 HZ2 TRP 68 HZ2 TRP 68 -3.437 12.187 20.211 551 HZ3 TRP 68 HZ3 TRP 68 -4.501 8.747 22.500 552 HH2 TRP 68 HH2 TRP 68 -3.001 10.621 22.052 553 HA PRO 69 HA PRO 69 -10.712 4.645 18.221 554 HB2 PRO 69 HB2 PRO 69 -11.902 4.374 20.646 555 HB3 PRO 69 HB3 PRO 69 -10.365 3.603 20.239 556 HG2 PRO 69 HG2 PRO 69 -10.872 6.121 21.776 557 HG3 PRO 69 HG3 PRO 69 -9.726 4.812 22.120 558 HD2 PRO 69 HD2 PRO 69 -8.972 7.143 20.966 559 HD3 PRO 69 HD3 PRO 69 -8.181 5.596 20.600 560 H PHE 70 H PHE 70 -11.354 7.034 17.248 561 HA PHE 70 HA PHE 70 -13.959 7.755 18.403 562 HB2 PHE 70 HB2 PHE 70 -11.812 9.316 17.365 563 HB3 PHE 70 HB3 PHE 70 -13.207 9.545 16.315 564 HD1 PHE 70 HD2 PHE 70 -15.418 9.338 18.248 565 HD2 PHE 70 HD1 PHE 70 -11.653 11.298 18.555 566 HE1 PHE 70 HE2 PHE 70 -16.378 10.919 19.870 567 HE2 PHE 70 HE1 PHE 70 -12.606 12.882 20.179 568 HZ PHE 70 HZ PHE 70 -14.972 12.695 20.837 569 H ASP 71 H ASP 71 -13.091 5.520 16.452 570 HA ASP 71 HA ASP 71 -15.211 6.051 14.477 571 HB2 ASP 71 HB2 ASP 71 -12.893 6.147 13.497 572 HB3 ASP 71 HB3 ASP 71 -12.707 4.450 13.929 573 H ASP 72 H ASP 72 -15.176 4.634 17.096 574 HA ASP 72 HA ASP 72 -16.422 2.171 16.148 575 HB2 ASP 72 HB2 ASP 72 -14.313 1.270 16.655 576 HB3 ASP 72 HB3 ASP 72 -14.109 2.306 18.065 577 H GLY 73 H GLY 73 -15.464 3.422 19.346 578 HA2 GLY 73 HA2 GLY 73 -18.300 3.834 19.984 579 HA3 GLY 73 HA3 GLY 73 -17.359 2.753 21.002 580 H ALA 74 H ALA 74 -14.996 4.027 21.300 581 HA ALA 74 HA ALA 74 -13.922 5.673 22.450 582 HB1 ALA 74 HB1 ALA 74 -15.860 7.079 20.820 583 HB2 ALA 74 HB2 ALA 74 -15.511 7.938 22.321 584 HB3 ALA 74 HB3 ALA 74 -14.198 7.510 21.224 585 HA PRO 75 HA PRO 75 -15.617 5.830 26.494 586 HB2 PRO 75 HB2 PRO 75 -14.593 8.135 27.497 587 HB3 PRO 75 HB3 PRO 75 -13.612 6.693 27.212 588 HG2 PRO 75 HG2 PRO 75 -13.912 9.144 25.520 589 HG3 PRO 75 HG3 PRO 75 -12.443 8.239 25.927 590 HD2 PRO 75 HD2 PRO 75 -13.716 7.959 23.553 591 HD3 PRO 75 HD3 PRO 75 -12.846 6.623 24.334 592 HA PRO 76 HA PRO 76 -19.356 8.211 26.076 593 HB2 PRO 76 HB2 PRO 76 -20.500 7.383 28.395 594 HB3 PRO 76 HB3 PRO 76 -20.434 6.376 26.944 595 HG2 PRO 76 HG2 PRO 76 -18.675 6.326 29.366 596 HG3 PRO 76 HG3 PRO 76 -19.373 4.970 28.461 597 HD2 PRO 76 HD2 PRO 76 -16.803 5.762 28.145 598 HD3 PRO 76 HD3 PRO 76 -17.759 5.070 26.819 599 HA PRO 77 HA PRO 77 -18.343 10.477 30.292 600 HB2 PRO 77 HB2 PRO 77 -15.709 10.383 30.939 601 HB3 PRO 77 HB3 PRO 77 -16.887 9.208 31.537 602 HG2 PRO 77 HG2 PRO 77 -14.953 8.964 29.264 603 HG3 PRO 77 HG3 PRO 77 -15.369 7.775 30.513 604 HD2 PRO 77 HD2 PRO 77 -16.400 7.682 28.011 605 HD3 PRO 77 HD3 PRO 77 -17.305 7.136 29.437 606 H GLY 78 H GLY 78 -15.590 10.306 28.020 607 HA2 GLY 78 HA2 GLY 78 -15.440 12.131 26.357 608 HA3 GLY 78 HA3 GLY 78 -15.858 13.229 27.665 609 H LYS 79 H LYS 79 -13.520 10.553 27.443 610 HA LYS 79 HA LYS 79 -11.508 12.226 28.699 611 HB2 LYS 79 HB2 LYS 79 -11.859 9.835 29.351 612 HB3 LYS 79 HB3 LYS 79 -11.276 9.362 27.761 613 HG2 LYS 79 HG2 LYS 79 -9.474 9.128 29.286 614 HG3 LYS 79 HG3 LYS 79 -9.136 10.541 28.283 615 HD2 LYS 79 HD2 LYS 79 -10.525 11.624 30.385 616 HD3 LYS 79 HD3 LYS 79 -9.591 10.344 31.165 617 HE2 LYS 79 HE2 LYS 79 -7.656 11.370 29.668 618 HE3 LYS 79 HE3 LYS 79 -8.670 12.808 29.782 619 HZ1 LYS 79 HZ1 LYS 79 -6.864 11.892 31.654 620 HZ2 LYS 79 HZ2 LYS 79 -8.386 11.581 32.321 621 HZ3 LYS 79 HZ3 LYS 79 -7.977 13.152 31.844 622 H VAL 80 H VAL 80 -12.382 11.149 25.550 623 HA VAL 80 HA VAL 80 -9.899 11.259 24.247 624 HB VAL 80 HB VAL 80 -12.602 11.938 23.080 625 HG11 VAL 80 HG11 VAL 80 -11.334 10.881 21.032 626 HG12 VAL 80 HG12 VAL 80 -11.145 12.589 21.434 627 HG13 VAL 80 HG13 VAL 80 -9.909 11.425 21.916 628 HG21 VAL 80 HG21 VAL 80 -11.336 9.381 23.844 629 HG22 VAL 80 HG22 VAL 80 -13.041 9.815 23.734 630 HG23 VAL 80 HG23 VAL 80 -12.137 9.420 22.273 631 H VAL 81 H VAL 81 -12.090 13.761 25.280 632 HA VAL 81 HA VAL 81 -11.493 15.908 23.718 633 HB VAL 81 HB VAL 81 -12.007 17.350 25.546 634 HG11 VAL 81 HG11 VAL 81 -13.519 14.799 26.074 635 HG12 VAL 81 HG12 VAL 81 -14.079 16.456 26.311 636 HG13 VAL 81 HG13 VAL 81 -13.810 15.839 24.680 637 HG21 VAL 81 HG21 VAL 81 -10.526 16.656 27.245 638 HG22 VAL 81 HG22 VAL 81 -12.144 16.388 27.892 639 HG23 VAL 81 HG23 VAL 81 -11.203 15.028 27.280 640 H GLU 82 H GLU 82 -9.521 14.625 26.367 641 HA GLU 82 HA GLU 82 -7.569 16.595 26.472 642 HB2 GLU 82 HB2 GLU 82 -6.155 14.972 27.534 643 HB3 GLU 82 HB3 GLU 82 -7.807 14.687 28.063 644 HG2 GLU 82 HG2 GLU 82 -7.267 12.552 27.617 645 HG3 GLU 82 HG3 GLU 82 -7.732 13.015 25.981 646 H ASP 83 H ASP 83 -7.784 13.754 24.372 647 HA ASP 83 HA ASP 83 -5.280 14.242 23.082 648 HB2 ASP 83 HB2 ASP 83 -7.622 12.467 22.382 649 HB3 ASP 83 HB3 ASP 83 -6.142 12.534 21.428 650 H TRP 84 H TRP 84 -8.573 15.235 22.562 651 HA TRP 84 HA TRP 84 -8.465 15.977 19.874 652 HB2 TRP 84 HB2 TRP 84 -10.376 16.064 21.810 653 HB3 TRP 84 HB3 TRP 84 -9.999 17.776 21.638 654 HD1 TRP 84 HD1 TRP 84 -12.401 15.457 20.387 655 HE1 TRP 84 HE1 TRP 84 -13.312 16.129 18.076 656 HE3 TRP 84 HE3 TRP 84 -8.828 18.866 19.066 657 HZ2 TRP 84 HZ2 TRP 84 -12.609 17.873 15.971 658 HZ3 TRP 84 HZ3 TRP 84 -9.020 19.992 16.886 659 HH2 TRP 84 HH2 TRP 84 -10.872 19.503 15.372 660 H LEU 85 H LEU 85 -8.263 18.236 22.629 661 HA LEU 85 HA LEU 85 -7.269 20.386 21.137 662 HB2 LEU 85 HB2 LEU 85 -6.841 19.830 24.068 663 HB3 LEU 85 HB3 LEU 85 -6.690 21.393 23.269 664 HG LEU 85 HG LEU 85 -8.757 21.684 24.131 665 HD11 LEU 85 HD11 LEU 85 -9.735 19.934 21.907 666 HD12 LEU 85 HD12 LEU 85 -8.896 21.448 21.572 667 HD13 LEU 85 HD13 LEU 85 -10.396 21.458 22.500 668 HD21 LEU 85 HD21 LEU 85 -9.962 20.093 25.175 669 HD22 LEU 85 HD22 LEU 85 -8.497 19.133 24.968 670 HD23 LEU 85 HD23 LEU 85 -9.833 18.959 23.829 671 H SER 86 H SER 86 -5.603 17.847 22.943 672 HA SER 86 HA SER 86 -3.003 18.861 22.780 673 HB2 SER 86 HB2 SER 86 -4.059 16.040 22.967 674 HB3 SER 86 HB3 SER 86 -2.333 16.401 22.974 675 HG SER 86 HG SER 86 -4.286 17.285 24.831 676 H LEU 87 H LEU 87 -4.714 16.628 20.605 677 HA LEU 87 HA LEU 87 -2.670 16.169 18.784 678 HB2 LEU 87 HB2 LEU 87 -4.433 14.807 18.360 679 HB3 LEU 87 HB3 LEU 87 -5.623 16.057 18.721 680 HG LEU 87 HG LEU 87 -5.118 17.077 16.499 681 HD11 LEU 87 HD11 LEU 87 -4.078 15.241 14.919 682 HD12 LEU 87 HD12 LEU 87 -3.263 14.758 16.406 683 HD13 LEU 87 HD13 LEU 87 -3.062 16.395 15.783 684 HD21 LEU 87 HD21 LEU 87 -6.330 14.397 16.901 685 HD22 LEU 87 HD22 LEU 87 -6.105 14.959 15.245 686 HD23 LEU 87 HD23 LEU 87 -7.069 15.909 16.375 687 H VAL 88 H VAL 88 -5.318 18.538 18.428 688 HA VAL 88 HA VAL 88 -4.284 19.822 16.169 689 HB VAL 88 HB VAL 88 -6.585 20.157 16.826 690 HG11 VAL 88 HG11 VAL 88 -6.008 20.103 19.316 691 HG12 VAL 88 HG12 VAL 88 -5.686 21.830 19.150 692 HG13 VAL 88 HG13 VAL 88 -7.294 21.194 18.802 693 HG21 VAL 88 HG21 VAL 88 -6.344 22.023 15.631 694 HG22 VAL 88 HG22 VAL 88 -6.199 22.882 17.164 695 HG23 VAL 88 HG23 VAL 88 -4.751 22.341 16.316 696 H LYS 89 H LYS 89 -4.084 20.802 19.591 697 HA LYS 89 HA LYS 89 -2.551 23.085 19.282 698 HB2 LYS 89 HB2 LYS 89 -2.694 21.067 21.515 699 HB3 LYS 89 HB3 LYS 89 -1.693 22.509 21.629 700 HG2 LYS 89 HG2 LYS 89 -3.607 23.932 21.449 701 HG3 LYS 89 HG3 LYS 89 -4.655 22.555 21.101 702 HD2 LYS 89 HD2 LYS 89 -5.081 22.519 23.295 703 HD3 LYS 89 HD3 LYS 89 -3.459 21.848 23.480 704 HE2 LYS 89 HE2 LYS 89 -3.233 24.671 23.240 705 HE3 LYS 89 HE3 LYS 89 -4.480 24.321 24.436 706 HZ1 LYS 89 HZ1 LYS 89 -2.606 24.288 25.719 707 HZ2 LYS 89 HZ2 LYS 89 -1.620 23.671 24.492 708 HZ3 LYS 89 HZ3 LYS 89 -2.699 22.651 25.302 709 H ALA 90 H ALA 90 -1.645 19.797 18.867 710 HA ALA 90 HA ALA 90 1.203 20.335 19.110 711 HB1 ALA 90 HB1 ALA 90 0.274 18.211 19.938 712 HB2 ALA 90 HB2 ALA 90 -0.203 17.796 18.291 713 HB3 ALA 90 HB3 ALA 90 1.505 17.969 18.697 714 H LYS 91 H LYS 91 -0.788 18.807 16.571 715 HA LYS 91 HA LYS 91 0.992 18.964 14.492 716 HB2 LYS 91 HB2 LYS 91 -1.133 19.191 13.033 717 HB3 LYS 91 HB3 LYS 91 -0.950 17.759 14.038 718 HG2 LYS 91 HG2 LYS 91 -2.942 18.183 14.900 719 HG3 LYS 91 HG3 LYS 91 -2.269 19.639 15.636 720 HD2 LYS 91 HD2 LYS 91 -3.092 19.760 12.780 721 HD3 LYS 91 HD3 LYS 91 -4.357 19.737 14.011 722 HE2 LYS 91 HE2 LYS 91 -2.773 21.590 15.088 723 HE3 LYS 91 HE3 LYS 91 -2.329 21.812 13.396 724 HZ1 LYS 91 HZ1 LYS 91 -4.322 23.110 14.433 725 HZ2 LYS 91 HZ2 LYS 91 -5.174 21.687 14.101 726 HZ3 LYS 91 HZ3 LYS 91 -4.412 22.529 12.847 727 H PHE 92 H PHE 92 -0.999 21.509 15.831 728 HA PHE 92 HA PHE 92 -0.393 23.362 13.698 729 HB2 PHE 92 HB2 PHE 92 -2.292 24.268 14.460 730 HB3 PHE 92 HB3 PHE 92 -2.265 23.226 15.878 731 HD1 PHE 92 HD2 PHE 92 -1.312 23.997 17.972 732 HD2 PHE 92 HD1 PHE 92 -1.456 26.523 14.550 733 HE1 PHE 92 HE2 PHE 92 -0.852 25.948 19.398 734 HE2 PHE 92 HE1 PHE 92 -0.996 28.479 15.970 735 HZ PHE 92 HZ PHE 92 -0.694 28.193 18.397 736 H CYS 93 H CYS 93 0.566 22.860 17.065 737 HA CYS 93 HA CYS 93 2.306 25.140 17.115 738 HB2 CYS 93 HB2 CYS 93 1.208 24.237 19.152 739 HB3 CYS 93 HB3 CYS 93 2.189 22.784 19.009 740 HG CYS 93 HG CYS 93 2.883 25.246 20.814 741 H GLU 94 H GLU 94 2.541 22.030 15.837 742 HA GLU 94 HA GLU 94 5.470 22.009 16.017 743 HB2 GLU 94 HB2 GLU 94 5.386 19.695 15.403 744 HB3 GLU 94 HB3 GLU 94 4.201 19.957 16.675 745 HG2 GLU 94 HG2 GLU 94 2.683 19.002 15.388 746 HG3 GLU 94 HG3 GLU 94 2.829 20.360 14.273 747 H ALA 95 H ALA 95 2.825 22.408 13.817 748 HA ALA 95 HA ALA 95 4.746 22.681 11.596 749 HB1 ALA 95 HB1 ALA 95 2.896 20.779 11.624 750 HB2 ALA 95 HB2 ALA 95 1.901 22.092 10.994 751 HB3 ALA 95 HB3 ALA 95 3.366 21.608 10.140 752 HA PRO 96 HA PRO 96 3.414 26.858 11.232 753 HB2 PRO 96 HB2 PRO 96 4.012 27.293 8.620 754 HB3 PRO 96 HB3 PRO 96 5.245 27.171 9.881 755 HG2 PRO 96 HG2 PRO 96 4.321 25.099 7.927 756 HG3 PRO 96 HG3 PRO 96 5.972 25.497 8.439 757 HD2 PRO 96 HD2 PRO 96 4.610 23.377 9.431 758 HD3 PRO 96 HD3 PRO 96 5.792 24.287 10.393 759 H GLY 97 H GLY 97 1.140 26.404 11.536 760 HA2 GLY 97 HA2 GLY 97 -1.070 26.353 10.902 761 HA3 GLY 97 HA3 GLY 97 -0.538 27.410 9.603 762 H SER 98 H SER 98 0.769 24.213 9.802 763 HA SER 98 HA SER 98 -0.001 23.530 7.196 764 HB2 SER 98 HB2 SER 98 0.750 21.627 9.428 765 HB3 SER 98 HB3 SER 98 0.844 21.308 7.696 766 HG SER 98 HG SER 98 2.847 21.944 8.108 767 H CYS 99 H CYS 99 -0.982 20.951 7.295 768 HA CYS 99 HA CYS 99 -3.724 21.398 8.269 769 HB2 CYS 99 HB2 CYS 99 -2.790 19.660 5.976 770 HB3 CYS 99 HB3 CYS 99 -4.460 19.881 6.481 771 HG CYS 99 HG CYS 99 -4.879 21.796 4.838 772 H VAL 100 H VAL 100 -4.937 19.339 8.742 773 HA VAL 100 HA VAL 100 -3.166 17.330 9.971 774 HB VAL 100 HB VAL 100 -3.936 17.836 11.991 775 HG11 VAL 100 HG11 VAL 100 -5.918 19.702 10.691 776 HG12 VAL 100 HG12 VAL 100 -5.430 19.710 12.387 777 HG13 VAL 100 HG13 VAL 100 -4.260 20.114 11.129 778 HG21 VAL 100 HG21 VAL 100 -5.606 16.095 11.473 779 HG22 VAL 100 HG22 VAL 100 -6.211 17.295 12.615 780 HG23 VAL 100 HG23 VAL 100 -6.717 17.352 10.926 781 H ALA 101 H ALA 101 -3.667 15.252 9.584 782 HA ALA 101 HA ALA 101 -6.050 14.723 7.956 783 HB1 ALA 101 HB1 ALA 101 -4.028 12.604 8.334 784 HB2 ALA 101 HB2 ALA 101 -4.894 13.104 6.881 785 HB3 ALA 101 HB3 ALA 101 -3.510 14.038 7.447 786 H VAL 102 H VAL 102 -7.765 13.879 8.923 787 HA VAL 102 HA VAL 102 -7.360 11.982 11.133 788 HB VAL 102 HB VAL 102 -8.995 14.466 11.134 789 HG11 VAL 102 HG11 VAL 102 -9.874 11.853 12.322 790 HG12 VAL 102 HG12 VAL 102 -10.381 13.401 13.002 791 HG13 VAL 102 HG13 VAL 102 -10.800 12.988 11.339 792 HG21 VAL 102 HG21 VAL 102 -8.338 13.628 13.718 793 HG22 VAL 102 HG22 VAL 102 -6.944 13.213 12.722 794 HG23 VAL 102 HG23 VAL 102 -7.535 14.874 12.763 795 H HIS 103 H HIS 103 -8.793 10.284 11.233 796 HA HIS 103 HA HIS 103 -10.375 9.844 8.825 797 HB2 HIS 103 HB2 HIS 103 -8.862 8.060 9.522 798 HB3 HIS 103 HB3 HIS 103 -9.650 7.979 11.095 799 HD1 HIS 103 HD1 HIS 103 -12.382 7.416 10.828 800 HD2 HIS 103 HD2 HIS 103 -9.801 6.205 7.806 801 HE1 HIS 103 HE1 HIS 103 -13.611 5.614 9.576 802 H CYS 104 H CYS 104 -12.546 9.786 8.757 803 HA CYS 104 HA CYS 104 -14.111 9.509 11.178 804 HB2 CYS 104 HB2 CYS 104 -13.839 12.086 9.696 805 HB3 CYS 104 HB3 CYS 104 -15.418 11.663 10.349 806 HG CYS 104 HG CYS 104 -14.684 11.646 12.972 807 H VAL 105 H VAL 105 -16.410 9.271 10.742 808 HA VAL 105 HA VAL 105 -16.851 7.822 8.287 809 HB VAL 105 HB VAL 105 -17.769 7.256 10.651 810 HG11 VAL 105 HG11 VAL 105 -19.638 8.303 11.429 811 HG12 VAL 105 HG12 VAL 105 -18.885 9.660 10.588 812 HG13 VAL 105 HG13 VAL 105 -20.190 8.758 9.817 813 HG21 VAL 105 HG21 VAL 105 -18.593 6.649 8.030 814 HG22 VAL 105 HG22 VAL 105 -18.843 5.694 9.492 815 HG23 VAL 105 HG23 VAL 105 -20.062 6.863 8.983 816 H ALA 106 H ALA 106 -19.553 8.312 7.832 817 HA ALA 106 HA ALA 106 -19.541 10.338 5.973 818 HB1 ALA 106 HB1 ALA 106 -21.605 9.622 5.551 819 HB2 ALA 106 HB2 ALA 106 -21.397 8.499 6.895 820 HB3 ALA 106 HB3 ALA 106 -22.164 10.063 7.165 821 H GLY 107 H GLY 107 -19.936 10.571 9.412 822 HA2 GLY 107 HA2 GLY 107 -19.330 12.817 10.298 823 HA3 GLY 107 HA3 GLY 107 -20.458 13.465 9.117 824 H LEU 108 H LEU 108 -22.646 13.426 9.529 825 HA LEU 108 HA LEU 108 -24.408 13.741 10.974 826 HB2 LEU 108 HB2 LEU 108 -23.627 10.865 11.111 827 HB3 LEU 108 HB3 LEU 108 -24.931 11.453 12.141 828 HG LEU 108 HG LEU 108 -24.869 11.568 9.125 829 HD11 LEU 108 HD11 LEU 108 -25.161 9.303 10.043 830 HD12 LEU 108 HD12 LEU 108 -26.604 9.888 9.217 831 HD13 LEU 108 HD13 LEU 108 -26.541 9.878 10.979 832 HD21 LEU 108 HD21 LEU 108 -27.458 11.967 10.107 833 HD22 LEU 108 HD22 LEU 108 -26.416 13.150 9.315 834 HD23 LEU 108 HD23 LEU 108 -26.415 13.011 11.074 835 H GLY 109 H GLY 109 -22.639 11.396 12.965 836 HA2 GLY 109 HA2 GLY 109 -22.981 13.150 15.267 837 HA3 GLY 109 HA3 GLY 109 -22.432 11.481 15.300 838 H ARG 110 H ARG 110 -20.232 11.021 14.771 839 HA ARG 110 HA ARG 110 -18.298 12.361 16.015 840 HB2 ARG 110 HB2 ARG 110 -17.881 11.170 13.269 841 HB3 ARG 110 HB3 ARG 110 -16.657 11.396 14.511 842 HG2 ARG 110 HG2 ARG 110 -19.012 9.524 14.616 843 HG3 ARG 110 HG3 ARG 110 -17.311 9.088 14.441 844 HD2 ARG 110 HD2 ARG 110 -16.887 10.137 16.662 845 HD3 ARG 110 HD3 ARG 110 -18.627 10.368 16.832 846 HE ARG 110 HE ARG 110 -17.162 7.900 17.111 847 HH11 ARG 110 HH11 ARG 110 -20.263 9.368 16.519 848 HH12 ARG 110 HH12 ARG 110 -21.164 7.984 17.044 849 HH21 ARG 110 HH21 ARG 110 -18.337 6.072 17.805 850 HH22 ARG 110 HH22 ARG 110 -20.068 6.111 17.776 851 H ALA 111 H ALA 111 -19.436 13.146 12.757 852 HA ALA 111 HA ALA 111 -17.654 15.041 11.944 853 HB1 ALA 111 HB1 ALA 111 -20.524 14.580 11.487 854 HB2 ALA 111 HB2 ALA 111 -19.947 16.207 11.120 855 HB3 ALA 111 HB3 ALA 111 -19.210 14.812 10.333 856 HA PRO 112 HA PRO 112 -19.777 18.695 14.166 857 HB2 PRO 112 HB2 PRO 112 -22.128 18.268 15.455 858 HB3 PRO 112 HB3 PRO 112 -22.034 18.662 13.734 859 HG2 PRO 112 HG2 PRO 112 -22.380 15.996 15.052 860 HG3 PRO 112 HG3 PRO 112 -23.205 16.656 13.628 861 HD2 PRO 112 HD2 PRO 112 -21.151 14.902 13.438 862 HD3 PRO 112 HD3 PRO 112 -21.446 16.163 12.223 863 H VAL 113 H VAL 113 -20.123 15.587 15.780 864 HA VAL 113 HA VAL 113 -20.002 16.464 18.441 865 HB VAL 113 HB VAL 113 -19.245 13.868 17.129 866 HG11 VAL 113 HG11 VAL 113 -17.730 13.958 18.943 867 HG12 VAL 113 HG12 VAL 113 -18.950 14.637 20.023 868 HG13 VAL 113 HG13 VAL 113 -19.081 12.962 19.484 869 HG21 VAL 113 HG21 VAL 113 -21.563 14.076 17.233 870 HG22 VAL 113 HG22 VAL 113 -21.173 13.135 18.672 871 HG23 VAL 113 HG23 VAL 113 -21.520 14.858 18.813 872 H LEU 114 H LEU 114 -17.395 15.308 16.305 873 HA LEU 114 HA LEU 114 -15.305 15.749 18.144 874 HB2 LEU 114 HB2 LEU 114 -15.488 15.317 15.204 875 HB3 LEU 114 HB3 LEU 114 -13.964 15.893 15.877 876 HG LEU 114 HG LEU 114 -14.412 13.331 15.505 877 HD11 LEU 114 HD11 LEU 114 -12.667 12.889 16.954 878 HD12 LEU 114 HD12 LEU 114 -13.219 14.066 18.146 879 HD13 LEU 114 HD13 LEU 114 -12.470 14.615 16.646 880 HD21 LEU 114 HD21 LEU 114 -16.508 13.491 16.938 881 HD22 LEU 114 HD22 LEU 114 -15.421 13.627 18.320 882 HD23 LEU 114 HD23 LEU 114 -15.386 12.182 17.308 883 H VAL 115 H VAL 115 -16.282 17.669 15.299 884 HA VAL 115 HA VAL 115 -14.538 19.804 15.690 885 HB VAL 115 HB VAL 115 -15.914 21.086 14.218 886 HG11 VAL 115 HG11 VAL 115 -15.138 18.420 13.656 887 HG12 VAL 115 HG12 VAL 115 -16.667 18.723 12.827 888 HG13 VAL 115 HG13 VAL 115 -15.282 19.779 12.541 889 HG21 VAL 115 HG21 VAL 115 -18.091 19.173 15.013 890 HG22 VAL 115 HG22 VAL 115 -18.068 20.931 15.156 891 HG23 VAL 115 HG23 VAL 115 -18.202 20.177 13.567 892 H ALA 116 H ALA 116 -17.661 19.124 17.134 893 HA ALA 116 HA ALA 116 -18.174 21.653 18.246 894 HB1 ALA 116 HB1 ALA 116 -19.058 18.883 18.989 895 HB2 ALA 116 HB2 ALA 116 -19.567 20.302 19.905 896 HB3 ALA 116 HB3 ALA 116 -19.978 20.161 18.196 897 H LEU 117 H LEU 117 -16.496 18.818 19.570 898 HA LEU 117 HA LEU 117 -16.027 19.742 22.141 899 HB2 LEU 117 HB2 LEU 117 -15.554 17.452 21.205 900 HB3 LEU 117 HB3 LEU 117 -14.075 18.123 20.520 901 HG LEU 117 HG LEU 117 -13.831 16.831 22.677 902 HD11 LEU 117 HD11 LEU 117 -12.221 18.548 21.731 903 HD12 LEU 117 HD12 LEU 117 -12.098 18.215 23.458 904 HD13 LEU 117 HD13 LEU 117 -12.904 19.680 22.899 905 HD21 LEU 117 HD21 LEU 117 -15.837 17.702 23.786 906 HD22 LEU 117 HD22 LEU 117 -15.112 19.309 23.827 907 HD23 LEU 117 HD23 LEU 117 -14.384 17.989 24.743 908 H ALA 118 H ALA 118 -13.846 19.996 19.330 909 HA ALA 118 HA ALA 118 -11.964 21.655 20.650 910 HB1 ALA 118 HB1 ALA 118 -10.782 21.634 18.695 911 HB2 ALA 118 HB2 ALA 118 -11.790 20.206 18.454 912 HB3 ALA 118 HB3 ALA 118 -12.227 21.734 17.689 913 H LEU 119 H LEU 119 -14.805 22.300 18.685 914 HA LEU 119 HA LEU 119 -14.397 25.017 18.178 915 HB2 LEU 119 HB2 LEU 119 -16.121 24.017 16.981 916 HB3 LEU 119 HB3 LEU 119 -16.834 23.299 18.423 917 HG LEU 119 HG LEU 119 -17.680 25.469 19.114 918 HD11 LEU 119 HD11 LEU 119 -16.125 27.038 18.383 919 HD12 LEU 119 HD12 LEU 119 -17.524 27.330 17.350 920 HD13 LEU 119 HD13 LEU 119 -16.142 26.428 16.728 921 HD21 LEU 119 HD21 LEU 119 -18.331 24.847 16.235 922 HD22 LEU 119 HD22 LEU 119 -19.319 25.809 17.335 923 HD23 LEU 119 HD23 LEU 119 -19.065 24.092 17.650 924 H ILE 120 H ILE 120 -15.949 23.401 20.923 925 HA ILE 120 HA ILE 120 -16.755 25.760 22.256 926 HB ILE 120 HB ILE 120 -16.547 22.898 22.956 927 HG12 ILE 120 HG12 ILE 120 -18.816 23.318 23.806 928 HG13 ILE 120 HG13 ILE 120 -18.602 25.044 23.536 929 HG21 ILE 120 HG21 ILE 120 -15.361 23.638 24.841 930 HG22 ILE 120 HG22 ILE 120 -16.361 25.080 25.008 931 HG23 ILE 120 HG23 ILE 120 -17.033 23.494 25.384 932 HD11 ILE 120 HD11 ILE 120 -18.552 22.945 21.381 933 HD12 ILE 120 HD12 ILE 120 -19.940 23.955 21.790 934 HD13 ILE 120 HD13 ILE 120 -18.468 24.692 21.156 935 H GLU 121 H GLU 121 -13.938 23.632 22.723 936 HA GLU 121 HA GLU 121 -12.764 25.151 24.787 937 HB2 GLU 121 HB2 GLU 121 -11.310 23.400 22.801 938 HB3 GLU 121 HB3 GLU 121 -10.782 23.837 24.420 939 HG2 GLU 121 HG2 GLU 121 -13.318 22.312 23.967 940 HG3 GLU 121 HG3 GLU 121 -11.754 21.502 24.049 941 H SER 122 H SER 122 -12.937 25.634 21.399 942 HA SER 122 HA SER 122 -10.578 27.184 21.063 943 HB2 SER 122 HB2 SER 122 -11.262 26.597 18.982 944 HB3 SER 122 HB3 SER 122 -12.958 26.512 19.457 945 HG SER 122 HG SER 122 -13.222 28.571 18.959 946 H GLY 123 H GLY 123 -13.585 27.816 22.527 947 HA2 GLY 123 HA2 GLY 123 -13.540 29.889 23.912 948 HA3 GLY 123 HA3 GLY 123 -13.033 30.720 22.449 949 H MET 124 H MET 124 -15.339 28.239 21.994 950 HA MET 124 HA MET 124 -17.408 30.275 21.546 951 HB2 MET 124 HB2 MET 124 -16.494 28.197 19.934 952 HB3 MET 124 HB3 MET 124 -18.031 27.614 20.557 953 HG2 MET 124 HG2 MET 124 -18.712 28.681 18.659 954 HG3 MET 124 HG3 MET 124 -18.884 29.973 19.844 955 HE1 MET 124 HE1 MET 124 -16.847 31.793 20.256 956 HE2 MET 124 HE2 MET 124 -16.587 32.673 18.749 957 HE3 MET 124 HE3 MET 124 -18.225 32.253 19.255 958 H LYS 125 H LYS 125 -19.576 29.872 22.203 959 HA LYS 125 HA LYS 125 -19.755 28.624 24.778 960 HB2 LYS 125 HB2 LYS 125 -22.338 29.276 23.736 961 HB3 LYS 125 HB3 LYS 125 -21.438 30.068 25.023 962 HG2 LYS 125 HG2 LYS 125 -20.232 31.368 23.252 963 HG3 LYS 125 HG3 LYS 125 -21.367 30.691 22.082 964 HD2 LYS 125 HD2 LYS 125 -22.530 32.572 22.567 965 HD3 LYS 125 HD3 LYS 125 -23.102 31.596 23.922 966 HE2 LYS 125 HE2 LYS 125 -21.671 32.649 25.435 967 HE3 LYS 125 HE3 LYS 125 -20.625 33.268 24.159 968 HZ1 LYS 125 HZ1 LYS 125 -22.946 34.442 23.552 969 HZ2 LYS 125 HZ2 LYS 125 -21.756 35.153 24.520 970 HZ3 LYS 125 HZ3 LYS 125 -23.074 34.371 25.238 971 H TYR 126 H TYR 126 -20.629 26.704 25.327 972 HA TYR 126 HA TYR 126 -20.784 24.602 23.555 973 HB2 TYR 126 HB2 TYR 126 -20.773 23.703 25.625 974 HB3 TYR 126 HB3 TYR 126 -21.611 25.081 26.330 975 HD1 TYR 126 HD2 TYR 126 -22.274 22.123 24.148 976 HD2 TYR 126 HD1 TYR 126 -23.772 24.790 27.106 977 HE1 TYR 126 HE2 TYR 126 -24.331 20.783 24.306 978 HE2 TYR 126 HE1 TYR 126 -25.832 23.457 27.272 979 HH TYR 126 HH TYR 126 -26.755 21.420 26.755 980 H GLU 127 H GLU 127 -23.536 26.409 24.927 981 HA GLU 127 HA GLU 127 -25.557 25.129 23.504 982 HB2 GLU 127 HB2 GLU 127 -25.487 28.020 24.388 983 HB3 GLU 127 HB3 GLU 127 -26.928 27.101 23.979 984 HG2 GLU 127 HG2 GLU 127 -25.850 25.520 25.887 985 HG3 GLU 127 HG3 GLU 127 -25.325 27.112 26.435 986 H ASP 128 H ASP 128 -24.011 28.250 22.731 987 HA ASP 128 HA ASP 128 -25.236 28.750 20.316 988 HB2 ASP 128 HB2 ASP 128 -23.495 30.142 21.675 989 HB3 ASP 128 HB3 ASP 128 -22.312 29.331 20.652 990 H ALA 129 H ALA 129 -22.092 27.120 20.751 991 HA ALA 129 HA ALA 129 -21.613 26.437 18.119 992 HB1 ALA 129 HB1 ALA 129 -19.790 25.934 19.354 993 HB2 ALA 129 HB2 ALA 129 -20.740 25.394 20.739 994 HB3 ALA 129 HB3 ALA 129 -20.513 24.325 19.355 995 H ILE 130 H ILE 130 -23.363 24.552 20.576 996 HA ILE 130 HA ILE 130 -23.927 22.307 19.029 997 HB ILE 130 HB ILE 130 -25.515 23.558 21.268 998 HG12 ILE 130 HG12 ILE 130 -23.833 22.701 22.487 999 HG13 ILE 130 HG13 ILE 130 -24.475 21.115 22.076 1000 HG21 ILE 130 HG21 ILE 130 -25.913 20.918 19.874 1001 HG22 ILE 130 HG22 ILE 130 -26.630 21.331 21.431 1002 HG23 ILE 130 HG23 ILE 130 -27.058 22.254 19.990 1003 HD11 ILE 130 HD11 ILE 130 -22.278 22.609 20.671 1004 HD12 ILE 130 HD12 ILE 130 -22.139 21.128 21.620 1005 HD13 ILE 130 HD13 ILE 130 -22.996 21.110 20.079 1006 H GLN 131 H GLN 131 -26.047 25.115 19.635 1007 HA GLN 131 HA GLN 131 -28.154 24.439 18.007 1008 HB2 GLN 131 HB2 GLN 131 -26.970 27.086 18.776 1009 HB3 GLN 131 HB3 GLN 131 -28.331 27.015 17.664 1010 HG2 GLN 131 HG2 GLN 131 -28.496 27.132 20.389 1011 HG3 GLN 131 HG3 GLN 131 -29.782 26.617 19.299 1012 HE21 GLN 131 HE21 GLN 131 -27.466 25.648 21.651 1013 HE22 GLN 131 HE22 GLN 131 -27.966 23.999 21.784 1014 H PHE 132 H PHE 132 -25.028 25.732 17.103 1015 HA PHE 132 HA PHE 132 -25.693 26.392 14.424 1016 HB2 PHE 132 HB2 PHE 132 -23.659 27.156 15.804 1017 HB3 PHE 132 HB3 PHE 132 -22.936 25.615 15.354 1018 HD1 PHE 132 HD1 PHE 132 -25.027 27.989 13.391 1019 HD2 PHE 132 HD2 PHE 132 -21.251 26.078 13.850 1020 HE1 PHE 132 HE1 PHE 132 -24.276 28.968 11.263 1021 HE2 PHE 132 HE2 PHE 132 -20.494 27.056 11.723 1022 HZ PHE 132 HZ PHE 132 -22.007 28.503 10.427 1023 H ILE 133 H ILE 133 -23.573 23.760 15.566 1024 HA ILE 133 HA ILE 133 -23.675 22.317 13.153 1025 HB ILE 133 HB ILE 133 -22.815 20.395 14.522 1026 HG12 ILE 133 HG12 ILE 133 -22.536 22.287 16.821 1027 HG13 ILE 133 HG13 ILE 133 -24.056 21.423 16.615 1028 HG21 ILE 133 HG21 ILE 133 -20.721 21.227 14.395 1029 HG22 ILE 133 HG22 ILE 133 -21.537 22.575 13.605 1030 HG23 ILE 133 HG23 ILE 133 -21.125 22.675 15.317 1031 HD11 ILE 133 HD11 ILE 133 -21.405 20.023 16.706 1032 HD12 ILE 133 HD12 ILE 133 -22.356 20.372 18.150 1033 HD13 ILE 133 HD13 ILE 133 -23.017 19.332 16.888 1034 H ARG 134 H ARG 134 -25.966 22.658 15.630 1035 HA ARG 134 HA ARG 134 -27.252 20.097 15.164 1036 HB2 ARG 134 HB2 ARG 134 -27.256 20.967 17.429 1037 HB3 ARG 134 HB3 ARG 134 -28.027 22.453 16.891 1038 HG2 ARG 134 HG2 ARG 134 -30.082 21.481 16.690 1039 HG3 ARG 134 HG3 ARG 134 -29.414 19.881 16.362 1040 HD2 ARG 134 HD2 ARG 134 -28.625 19.863 18.765 1041 HD3 ARG 134 HD3 ARG 134 -29.617 21.301 19.007 1042 HE ARG 134 HE ARG 134 -31.121 19.192 17.839 1043 HH11 ARG 134 HH11 ARG 134 -29.777 20.306 20.850 1044 HH12 ARG 134 HH12 ARG 134 -30.955 19.493 21.827 1045 HH21 ARG 134 HH21 ARG 134 -32.678 18.117 19.114 1046 HH22 ARG 134 HH22 ARG 134 -32.604 18.248 20.838 1047 H GLN 135 H GLN 135 -27.905 23.533 14.580 1048 HA GLN 135 HA GLN 135 -30.420 23.126 13.334 1049 HB2 GLN 135 HB2 GLN 135 -30.349 25.428 12.765 1050 HB3 GLN 135 HB3 GLN 135 -29.562 25.287 14.331 1051 HG2 GLN 135 HG2 GLN 135 -27.412 25.543 13.375 1052 HG3 GLN 135 HG3 GLN 135 -28.045 25.362 11.740 1053 HE21 GLN 135 HE21 GLN 135 -26.797 27.399 11.506 1054 HE22 GLN 135 HE22 GLN 135 -27.613 28.884 11.843 1055 H LYS 136 H LYS 136 -27.182 22.770 12.261 1056 HA LYS 136 HA LYS 136 -27.622 23.175 9.477 1057 HB2 LYS 136 HB2 LYS 136 -25.425 22.339 9.159 1058 HB3 LYS 136 HB3 LYS 136 -25.390 23.235 10.672 1059 HG2 LYS 136 HG2 LYS 136 -24.667 21.452 11.762 1060 HG3 LYS 136 HG3 LYS 136 -26.041 20.499 11.198 1061 HD2 LYS 136 HD2 LYS 136 -23.905 19.490 10.541 1062 HD3 LYS 136 HD3 LYS 136 -24.855 19.979 9.136 1063 HE2 LYS 136 HE2 LYS 136 -23.221 21.310 8.431 1064 HE3 LYS 136 HE3 LYS 136 -23.170 22.142 9.985 1065 HZ1 LYS 136 HZ1 LYS 136 -21.684 19.700 9.198 1066 HZ2 LYS 136 HZ2 LYS 136 -21.779 20.251 10.794 1067 HZ3 LYS 136 HZ3 LYS 136 -21.043 21.210 9.612 1068 H ARG 137 H ARG 137 -28.383 20.644 11.630 1069 HA ARG 137 HA ARG 137 -29.767 19.148 9.701 1070 HB2 ARG 137 HB2 ARG 137 -27.186 18.668 9.303 1071 HB3 ARG 137 HB3 ARG 137 -27.431 17.547 10.636 1072 HG2 ARG 137 HG2 ARG 137 -28.947 17.567 8.034 1073 HG3 ARG 137 HG3 ARG 137 -27.682 16.428 8.500 1074 HD2 ARG 137 HD2 ARG 137 -29.078 15.682 10.384 1075 HD3 ARG 137 HD3 ARG 137 -30.346 16.792 9.867 1076 HE ARG 137 HE ARG 137 -29.599 15.037 7.764 1077 HH11 ARG 137 HH11 ARG 137 -31.416 15.191 10.729 1078 HH12 ARG 137 HH12 ARG 137 -32.512 13.928 10.276 1079 HH21 ARG 137 HH21 ARG 137 -31.036 13.372 7.156 1080 HH22 ARG 137 HH22 ARG 137 -32.294 12.893 8.244 1081 H ARG 138 H ARG 138 -30.889 19.883 11.836 1082 HA ARG 138 HA ARG 138 -31.852 19.359 13.838 1083 HB2 ARG 138 HB2 ARG 138 -32.186 17.253 12.072 1084 HB3 ARG 138 HB3 ARG 138 -31.616 16.467 13.539 1085 HG2 ARG 138 HG2 ARG 138 -34.028 16.523 13.502 1086 HG3 ARG 138 HG3 ARG 138 -33.419 17.548 14.804 1087 HD2 ARG 138 HD2 ARG 138 -35.302 18.528 13.464 1088 HD3 ARG 138 HD3 ARG 138 -33.852 19.526 13.563 1089 HE ARG 138 HE ARG 138 -33.936 17.841 11.237 1090 HH11 ARG 138 HH11 ARG 138 -34.906 20.897 12.594 1091 HH12 ARG 138 HH12 ARG 138 -35.051 21.682 11.057 1092 HH21 ARG 138 HH21 ARG 138 -34.124 18.863 9.207 1093 HH22 ARG 138 HH22 ARG 138 -34.607 20.524 9.130 1094 H GLY 139 H GLY 139 -31.603 17.333 15.643 1095 HA2 GLY 139 HA2 GLY 139 -29.402 18.046 17.162 1096 HA3 GLY 139 HA3 GLY 139 -30.298 16.548 17.362 1097 H ALA 140 H ALA 140 -27.461 18.044 16.051 1098 HA ALA 140 HA ALA 140 -26.526 15.589 14.813 1099 HB1 ALA 140 HB1 ALA 140 -24.491 17.594 14.990 1100 HB2 ALA 140 HB2 ALA 140 -25.311 16.961 13.562 1101 HB3 ALA 140 HB3 ALA 140 -26.000 18.325 14.442 1102 H ILE 141 H ILE 141 -25.436 17.756 17.425 1103 HA ILE 141 HA ILE 141 -23.621 15.688 18.391 1104 HB ILE 141 HB ILE 141 -22.762 17.970 18.283 1105 HG12 ILE 141 HG12 ILE 141 -23.129 17.243 21.189 1106 HG13 ILE 141 HG13 ILE 141 -22.086 16.322 20.110 1107 HG21 ILE 141 HG21 ILE 141 -24.184 19.635 18.689 1108 HG22 ILE 141 HG22 ILE 141 -25.295 18.572 19.552 1109 HG23 ILE 141 HG23 ILE 141 -23.937 19.308 20.404 1110 HD11 ILE 141 HD11 ILE 141 -21.180 18.289 21.629 1111 HD12 ILE 141 HD12 ILE 141 -20.506 17.945 20.035 1112 HD13 ILE 141 HD13 ILE 141 -21.675 19.250 20.235 1113 H ASN 142 H ASN 142 -26.793 16.623 18.872 1114 HA ASN 142 HA ASN 142 -27.360 16.611 21.514 1115 HB2 ASN 142 HB2 ASN 142 -29.035 16.678 19.659 1116 HB3 ASN 142 HB3 ASN 142 -28.865 14.932 19.498 1117 HD21 ASN 142 HD21 ASN 142 -29.136 17.123 22.276 1118 HD22 ASN 142 HD22 ASN 142 -30.481 16.313 22.999 1119 H SER 143 H SER 143 -28.186 14.859 22.940 1120 HA SER 143 HA SER 143 -28.169 12.650 23.731 1121 HB2 SER 143 HB2 SER 143 -25.810 12.111 21.924 1122 HB3 SER 143 HB3 SER 143 -26.846 10.935 22.734 1123 HG SER 143 HG SER 143 -28.008 10.979 20.996 1124 H LYS 144 H LYS 144 -25.785 11.232 24.325 1125 HA LYS 144 HA LYS 144 -24.954 12.276 26.678 1126 HB2 LYS 144 HB2 LYS 144 -23.137 10.810 24.757 1127 HB3 LYS 144 HB3 LYS 144 -22.939 10.920 26.501 1128 HG2 LYS 144 HG2 LYS 144 -24.305 9.206 26.852 1129 HG3 LYS 144 HG3 LYS 144 -25.542 9.879 25.787 1130 HD2 LYS 144 HD2 LYS 144 -23.134 8.717 24.505 1131 HD3 LYS 144 HD3 LYS 144 -24.270 7.593 25.255 1132 HE2 LYS 144 HE2 LYS 144 -25.260 7.701 23.226 1133 HE3 LYS 144 HE3 LYS 144 -25.998 9.146 23.916 1134 HZ1 LYS 144 HZ1 LYS 144 -24.235 10.468 22.894 1135 HZ2 LYS 144 HZ2 LYS 144 -25.114 9.608 21.733 1136 HZ3 LYS 144 HZ3 LYS 144 -23.577 9.074 22.196 1137 H GLN 145 H GLN 145 -23.582 13.012 23.500 1138 HA GLN 145 HA GLN 145 -21.392 14.516 24.223 1139 HB2 GLN 145 HB2 GLN 145 -23.146 15.429 21.971 1140 HB3 GLN 145 HB3 GLN 145 -21.390 15.376 22.059 1141 HG2 GLN 145 HG2 GLN 145 -23.308 13.124 21.589 1142 HG3 GLN 145 HG3 GLN 145 -21.982 13.679 20.568 1143 HE21 GLN 145 HE21 GLN 145 -19.892 13.816 22.241 1144 HE22 GLN 145 HE22 GLN 145 -19.525 12.261 22.897 1145 H LEU 146 H LEU 146 -24.651 15.798 23.535 1146 HA LEU 146 HA LEU 146 -24.183 18.434 24.243 1147 HB2 LEU 146 HB2 LEU 146 -26.405 16.843 23.576 1148 HB3 LEU 146 HB3 LEU 146 -26.810 17.655 25.087 1149 HG LEU 146 HG LEU 146 -26.004 19.793 23.804 1150 HD11 LEU 146 HD11 LEU 146 -25.801 17.818 21.783 1151 HD12 LEU 146 HD12 LEU 146 -25.524 19.554 21.656 1152 HD13 LEU 146 HD13 LEU 146 -27.132 18.895 21.359 1153 HD21 LEU 146 HD21 LEU 146 -28.594 18.940 22.726 1154 HD22 LEU 146 HD22 LEU 146 -28.180 20.333 23.726 1155 HD23 LEU 146 HD23 LEU 146 -28.424 18.752 24.472 1156 H THR 147 H THR 147 -25.523 15.851 26.302 1157 HA THR 147 HA THR 147 -25.722 17.320 28.659 1158 HB THR 147 HB THR 147 -25.784 15.216 29.848 1159 HG1 THR 147 HG1 THR 147 -25.124 13.304 28.877 1160 HG21 THR 147 HG21 THR 147 -27.750 15.791 28.499 1161 HG22 THR 147 HG22 THR 147 -27.519 14.044 28.582 1162 HG23 THR 147 HG23 THR 147 -27.061 14.927 27.126 1163 H TYR 148 H TYR 148 -22.978 15.606 27.268 1164 HA TYR 148 HA TYR 148 -21.247 15.609 29.436 1165 HB2 TYR 148 HB2 TYR 148 -20.708 14.414 27.401 1166 HB3 TYR 148 HB3 TYR 148 -20.632 15.919 26.492 1167 HD1 TYR 148 HD2 TYR 148 -19.182 15.071 29.820 1168 HD2 TYR 148 HD1 TYR 148 -18.430 16.087 25.757 1169 HE1 TYR 148 HE2 TYR 148 -16.779 15.242 30.313 1170 HE2 TYR 148 HE1 TYR 148 -16.025 16.260 26.239 1171 HH TYR 148 HH TYR 148 -14.680 15.232 29.270 1172 H LEU 149 H LEU 149 -21.285 18.005 26.790 1173 HA LEU 149 HA LEU 149 -19.565 19.819 28.104 1174 HB2 LEU 149 HB2 LEU 149 -20.617 19.577 25.583 1175 HB3 LEU 149 HB3 LEU 149 -21.441 21.006 26.203 1176 HG LEU 149 HG LEU 149 -19.523 21.732 24.993 1177 HD11 LEU 149 HD11 LEU 149 -20.070 22.636 27.386 1178 HD12 LEU 149 HD12 LEU 149 -18.612 23.156 26.544 1179 HD13 LEU 149 HD13 LEU 149 -18.513 21.913 27.791 1180 HD21 LEU 149 HD21 LEU 149 -17.259 20.867 26.238 1181 HD22 LEU 149 HD22 LEU 149 -17.909 20.199 24.741 1182 HD23 LEU 149 HD23 LEU 149 -18.269 19.423 26.284 1183 H GLU 150 H GLU 150 -22.945 19.208 28.356 1184 HA GLU 150 HA GLU 150 -23.837 21.713 29.271 1185 HB2 GLU 150 HB2 GLU 150 -25.131 19.506 28.613 1186 HB3 GLU 150 HB3 GLU 150 -25.032 19.192 30.340 1187 HG2 GLU 150 HG2 GLU 150 -26.450 21.400 28.908 1188 HG3 GLU 150 HG3 GLU 150 -27.085 20.239 30.073 1189 H LYS 151 H LYS 151 -22.679 18.860 31.042 1190 HA LYS 151 HA LYS 151 -22.743 20.341 33.549 1191 HB2 LYS 151 HB2 LYS 151 -22.423 17.486 32.769 1192 HB3 LYS 151 HB3 LYS 151 -21.684 18.001 34.280 1193 HG2 LYS 151 HG2 LYS 151 -23.864 18.835 35.044 1194 HG3 LYS 151 HG3 LYS 151 -24.593 18.261 33.543 1195 HD2 LYS 151 HD2 LYS 151 -23.016 16.254 34.999 1196 HD3 LYS 151 HD3 LYS 151 -24.458 16.821 35.844 1197 HE2 LYS 151 HE2 LYS 151 -25.287 15.051 34.616 1198 HE3 LYS 151 HE3 LYS 151 -25.632 16.420 33.561 1199 HZ1 LYS 151 HZ1 LYS 151 -23.075 15.523 32.938 1200 HZ2 LYS 151 HZ2 LYS 151 -24.470 15.415 31.987 1201 HZ3 LYS 151 HZ3 LYS 151 -24.058 14.149 33.031 1202 H TYR 152 H TYR 152 -20.573 19.694 31.035 1203 HA TYR 152 HA TYR 152 -18.176 19.803 32.649 1204 HB2 TYR 152 HB2 TYR 152 -18.378 18.491 30.499 1205 HB3 TYR 152 HB3 TYR 152 -18.387 20.029 29.644 1206 HD1 TYR 152 HD2 TYR 152 -16.367 21.545 29.875 1207 HD2 TYR 152 HD1 TYR 152 -16.355 17.491 31.166 1208 HE1 TYR 152 HE2 TYR 152 -13.908 21.551 29.853 1209 HE2 TYR 152 HE1 TYR 152 -13.896 17.486 31.149 1210 HH TYR 152 HH TYR 152 -12.058 18.636 30.294 1211 H ARG 153 H ARG 153 -16.635 21.476 32.606 1212 HA ARG 153 HA ARG 153 -17.676 24.082 31.706 1213 HB2 ARG 153 HB2 ARG 153 -17.025 25.114 33.662 1214 HB3 ARG 153 HB3 ARG 153 -17.512 23.536 34.267 1215 HG2 ARG 153 HG2 ARG 153 -15.522 23.777 35.343 1216 HG3 ARG 153 HG3 ARG 153 -14.971 22.974 33.871 1217 HD2 ARG 153 HD2 ARG 153 -13.953 24.842 33.068 1218 HD3 ARG 153 HD3 ARG 153 -15.115 25.931 33.824 1219 HE ARG 153 HE ARG 153 -13.675 26.128 35.575 1220 HH11 ARG 153 HH11 ARG 153 -13.000 23.134 33.932 1221 HH12 ARG 153 HH12 ARG 153 -11.635 22.746 34.925 1222 HH21 ARG 153 HH21 ARG 153 -11.880 25.628 36.890 1223 HH22 ARG 153 HH22 ARG 153 -10.999 24.164 36.608 1224 HA PRO 154 HA PRO 154 -13.977 24.284 29.297 1225 HB2 PRO 154 HB2 PRO 154 -14.096 26.925 28.679 1226 HB3 PRO 154 HB3 PRO 154 -15.141 25.714 27.927 1227 HG2 PRO 154 HG2 PRO 154 -15.737 27.596 30.178 1228 HG3 PRO 154 HG3 PRO 154 -16.748 27.158 28.788 1229 HD2 PRO 154 HD2 PRO 154 -17.104 26.079 31.246 1230 HD3 PRO 154 HD3 PRO 154 -17.435 25.181 29.751 1231 H LYS 155 H LYS 155 -12.026 24.212 30.209 1232 HA LYS 155 HA LYS 155 -11.342 25.985 32.403 1233 HB2 LYS 155 HB2 LYS 155 -9.591 24.543 32.871 1234 HB3 LYS 155 HB3 LYS 155 -10.774 23.450 32.163 1235 HG2 LYS 155 HG2 LYS 155 -9.579 23.783 29.964 1236 HG3 LYS 155 HG3 LYS 155 -8.305 24.586 30.884 1237 HD2 LYS 155 HD2 LYS 155 -9.288 21.817 31.539 1238 HD3 LYS 155 HD3 LYS 155 -7.968 22.117 30.406 1239 HE2 LYS 155 HE2 LYS 155 -6.799 23.372 32.217 1240 HE3 LYS 155 HE3 LYS 155 -8.072 22.864 33.325 1241 HZ1 LYS 155 HZ1 LYS 155 -5.784 21.441 32.496 1242 HZ2 LYS 155 HZ2 LYS 155 -7.165 20.581 32.034 1243 HZ3 LYS 155 HZ3 LYS 155 -6.938 21.008 33.655 1244 H GLN 156 H GLN 156 -11.399 26.420 29.213 1245 HA GLN 156 HA GLN 156 -10.413 27.887 27.781 1246 HB2 GLN 156 HB2 GLN 156 -8.883 28.961 30.147 1247 HB3 GLN 156 HB3 GLN 156 -9.308 29.805 28.664 1248 HG2 GLN 156 HG2 GLN 156 -10.971 30.660 29.879 1249 HG3 GLN 156 HG3 GLN 156 -11.758 29.109 29.592 1250 HE21 GLN 156 HE21 GLN 156 -9.194 30.266 31.760 1251 HE22 GLN 156 HE22 GLN 156 -9.900 29.639 33.206 1252 H ARG 157 H ARG 157 -9.351 25.829 27.071 1253 HA ARG 157 HA ARG 157 -6.485 25.735 27.672 1254 HB2 ARG 157 HB2 ARG 157 -6.540 23.555 26.490 1255 HB3 ARG 157 HB3 ARG 157 -7.631 23.617 27.868 1256 HG2 ARG 157 HG2 ARG 157 -9.347 24.352 25.976 1257 HG3 ARG 157 HG3 ARG 157 -8.229 23.421 24.978 1258 HD2 ARG 157 HD2 ARG 157 -9.956 21.949 25.736 1259 HD3 ARG 157 HD3 ARG 157 -8.468 21.535 26.585 1260 HE ARG 157 HE ARG 157 -10.045 23.377 28.074 1261 HH11 ARG 157 HH11 ARG 157 -9.761 20.017 27.208 1262 HH12 ARG 157 HH12 ARG 157 -10.562 19.447 28.634 1263 HH21 ARG 157 HH21 ARG 157 -11.102 22.639 29.956 1264 HH22 ARG 157 HH22 ARG 157 -11.325 20.939 30.196 1265 H LEU 158 H LEU 158 -8.692 25.800 24.884 1266 HA LEU 158 HA LEU 158 -6.488 26.374 23.081 1267 HB2 LEU 158 HB2 LEU 158 -9.232 25.444 22.848 1268 HB3 LEU 158 HB3 LEU 158 -8.838 26.680 21.656 1269 HG LEU 158 HG LEU 158 -8.516 24.442 20.752 1270 HD11 LEU 158 HD11 LEU 158 -6.762 25.123 19.556 1271 HD12 LEU 158 HD12 LEU 158 -5.709 25.182 20.969 1272 HD13 LEU 158 HD13 LEU 158 -6.760 26.548 20.596 1273 HD21 LEU 158 HD21 LEU 158 -7.997 22.987 22.440 1274 HD22 LEU 158 HD22 LEU 158 -6.887 24.113 23.222 1275 HD23 LEU 158 HD23 LEU 158 -6.392 23.257 21.761 1276 H ARG 159 H ARG 159 -8.920 28.066 24.840 1277 HA ARG 159 HA ARG 159 -7.827 30.589 24.380 1278 HB2 ARG 159 HB2 ARG 159 -9.383 29.722 22.202 1279 HB3 ARG 159 HB3 ARG 159 -10.373 30.893 23.063 1280 HG2 ARG 159 HG2 ARG 159 -7.688 31.872 22.816 1281 HG3 ARG 159 HG3 ARG 159 -8.319 31.401 21.236 1282 HD2 ARG 159 HD2 ARG 159 -10.440 32.710 22.024 1283 HD3 ARG 159 HD3 ARG 159 -9.309 33.479 23.137 1284 HE ARG 159 HE ARG 159 -9.558 33.981 20.355 1285 HH11 ARG 159 HH11 ARG 159 -7.222 33.767 22.928 1286 HH12 ARG 159 HH12 ARG 159 -6.101 34.854 22.177 1287 HH21 ARG 159 HH21 ARG 159 -8.090 35.413 19.357 1288 HH22 ARG 159 HH22 ARG 159 -6.596 35.790 20.146 1289 H PHE 160 H PHE 160 -9.928 32.288 24.669 1290 HA PHE 160 HA PHE 160 -10.811 31.654 27.345 1291 HB2 PHE 160 HB2 PHE 160 -10.027 33.964 26.323 1292 HB3 PHE 160 HB3 PHE 160 -11.730 34.101 25.897 1293 HD1 PHE 160 HD1 PHE 160 -9.401 33.637 28.734 1294 HD2 PHE 160 HD2 PHE 160 -13.332 34.703 27.498 1295 HE1 PHE 160 HE1 PHE 160 -9.901 34.420 31.012 1296 HE2 PHE 160 HE2 PHE 160 -13.838 35.489 29.774 1297 HZ PHE 160 HZ PHE 160 -12.122 35.349 31.534 1298 H LYS 161 H LYS 161 -12.594 30.532 27.717 1299 HA LYS 161 HA LYS 161 -14.794 30.671 25.769 1300 HB2 LYS 161 HB2 LYS 161 -13.540 28.457 26.688 1301 HB3 LYS 161 HB3 LYS 161 -14.837 28.587 27.868 1302 HG2 LYS 161 HG2 LYS 161 -15.427 28.726 24.940 1303 HG3 LYS 161 HG3 LYS 161 -15.205 27.171 25.747 1304 HD2 LYS 161 HD2 LYS 161 -16.928 28.666 27.386 1305 HD3 LYS 161 HD3 LYS 161 -17.496 28.903 25.732 1306 HE2 LYS 161 HE2 LYS 161 -17.665 26.531 25.393 1307 HE3 LYS 161 HE3 LYS 161 -16.912 26.210 26.955 1308 HZ1 LYS 161 HZ1 LYS 161 -19.455 26.076 26.752 1309 HZ2 LYS 161 HZ2 LYS 161 -19.411 27.766 26.795 1310 HZ3 LYS 161 HZ3 LYS 161 -18.795 26.871 28.092 1311 H ASP 162 H ASP 162 -16.968 30.776 26.546 1312 HA ASP 162 HA ASP 162 -17.498 32.739 28.391 1313 HB2 ASP 162 HB2 ASP 162 -19.100 30.571 27.147 1314 HB3 ASP 162 HB3 ASP 162 -19.792 31.351 28.567 Start of MODEL 11 1 H1 MET 1 H MET 1 0.533 -4.528 -2.641 2 HA MET 1 HA MET 1 -0.614 -2.763 -1.092 3 HB2 MET 1 HB2 MET 1 2.340 -2.404 -0.755 4 HB3 MET 1 HB3 MET 1 1.280 -1.003 -0.661 5 HG2 MET 1 HG2 MET 1 -0.021 -2.234 1.097 6 HG3 MET 1 HG3 MET 1 1.263 -3.442 1.092 7 HE1 MET 1 HE1 MET 1 -0.079 -1.650 3.232 8 HE2 MET 1 HE2 MET 1 1.279 -2.287 4.159 9 HE3 MET 1 HE3 MET 1 1.012 -0.546 4.070 10 H ALA 2 H ALA 2 -1.001 -3.206 -3.602 11 HA ALA 2 HA ALA 2 0.348 -1.629 -5.496 12 HB1 ALA 2 HB1 ALA 2 -2.229 -3.084 -5.401 13 HB2 ALA 2 HB2 ALA 2 -2.044 -1.850 -6.648 14 HB3 ALA 2 HB3 ALA 2 -0.904 -3.193 -6.560 15 H ARG 3 H ARG 3 0.520 0.511 -5.473 16 HA ARG 3 HA ARG 3 -1.793 2.098 -4.571 17 HB2 ARG 3 HB2 ARG 3 -0.078 3.909 -4.160 18 HB3 ARG 3 HB3 ARG 3 0.021 2.513 -3.096 19 HG2 ARG 3 HG2 ARG 3 2.125 2.163 -3.681 20 HG3 ARG 3 HG3 ARG 3 1.676 2.081 -5.386 21 HD2 ARG 3 HD2 ARG 3 1.560 4.723 -5.062 22 HD3 ARG 3 HD3 ARG 3 2.733 4.351 -3.799 23 HE ARG 3 HE ARG 3 3.136 4.195 -6.648 24 HH11 ARG 3 HH11 ARG 3 4.221 3.119 -3.520 25 HH12 ARG 3 HH12 ARG 3 5.822 2.739 -4.062 26 HH21 ARG 3 HH21 ARG 3 5.240 3.699 -7.373 27 HH22 ARG 3 HH22 ARG 3 6.401 3.070 -6.254 28 H MET 4 H MET 4 -2.813 3.227 -6.082 29 HA MET 4 HA MET 4 -1.588 4.813 -8.028 30 HB2 MET 4 HB2 MET 4 -1.892 2.022 -8.764 31 HB3 MET 4 HB3 MET 4 -2.782 3.076 -9.855 32 HG2 MET 4 HG2 MET 4 -0.926 3.786 -10.842 33 HG3 MET 4 HG3 MET 4 -0.125 4.081 -9.300 34 HE1 MET 4 HE1 MET 4 -1.522 0.459 -10.003 35 HE2 MET 4 HE2 MET 4 -1.393 1.207 -11.594 36 HE3 MET 4 HE3 MET 4 -0.328 -0.131 -11.160 37 H ASN 5 H ASN 5 -3.154 6.251 -7.300 38 HA ASN 5 HA ASN 5 -5.564 6.330 -8.741 39 HB2 ASN 5 HB2 ASN 5 -7.168 6.078 -6.854 40 HB3 ASN 5 HB3 ASN 5 -6.331 4.580 -7.252 41 HD21 ASN 5 HD21 ASN 5 -7.463 6.222 -4.762 42 HD22 ASN 5 HD22 ASN 5 -6.319 5.802 -3.537 43 H ARG 6 H ARG 6 -6.939 8.182 -8.101 44 HA ARG 6 HA ARG 6 -5.326 10.243 -6.749 45 HB2 ARG 6 HB2 ARG 6 -7.503 10.752 -8.773 46 HB3 ARG 6 HB3 ARG 6 -6.297 11.884 -8.178 47 HG2 ARG 6 HG2 ARG 6 -5.359 11.388 -10.178 48 HG3 ARG 6 HG3 ARG 6 -4.648 10.088 -9.220 49 HD2 ARG 6 HD2 ARG 6 -7.045 9.012 -10.004 50 HD3 ARG 6 HD3 ARG 6 -6.581 9.973 -11.407 51 HE ARG 6 HE ARG 6 -5.331 7.563 -10.468 52 HH11 ARG 6 HH11 ARG 6 -4.882 10.497 -12.288 53 HH12 ARG 6 HH12 ARG 6 -3.577 9.863 -13.235 54 HH21 ARG 6 HH21 ARG 6 -3.614 6.718 -11.709 55 HH22 ARG 6 HH22 ARG 6 -2.857 7.714 -12.906 56 HA PRO 7 HA PRO 7 -9.090 9.553 -4.131 57 HB2 PRO 7 HB2 PRO 7 -7.750 9.677 -1.773 58 HB3 PRO 7 HB3 PRO 7 -7.919 8.184 -2.705 59 HG2 PRO 7 HG2 PRO 7 -5.608 10.082 -2.570 60 HG3 PRO 7 HG3 PRO 7 -5.602 8.309 -2.555 61 HD2 PRO 7 HD2 PRO 7 -5.048 9.749 -4.780 62 HD3 PRO 7 HD3 PRO 7 -5.844 8.164 -4.842 63 H ALA 8 H ALA 8 -10.294 11.301 -3.781 64 HA ALA 8 HA ALA 8 -8.957 13.828 -3.081 65 HB1 ALA 8 HB1 ALA 8 -10.201 14.757 -4.663 66 HB2 ALA 8 HB2 ALA 8 -10.952 13.197 -5.001 67 HB3 ALA 8 HB3 ALA 8 -11.663 14.276 -3.800 68 HA PRO 9 HA PRO 9 -10.961 12.785 0.877 69 HB2 PRO 9 HB2 PRO 9 -9.264 14.292 2.366 70 HB3 PRO 9 HB3 PRO 9 -8.876 12.652 1.833 71 HG2 PRO 9 HG2 PRO 9 -8.030 15.275 0.663 72 HG3 PRO 9 HG3 PRO 9 -7.070 13.809 0.935 73 HD2 PRO 9 HD2 PRO 9 -8.071 14.465 -1.494 74 HD3 PRO 9 HD3 PRO 9 -7.868 12.782 -0.968 75 H VAL 10 H VAL 10 -11.115 14.646 2.832 76 HA VAL 10 HA VAL 10 -12.368 16.988 1.556 77 HB VAL 10 HB VAL 10 -13.452 15.231 3.738 78 HG11 VAL 10 HG11 VAL 10 -14.160 18.103 3.175 79 HG12 VAL 10 HG12 VAL 10 -15.200 16.999 4.076 80 HG13 VAL 10 HG13 VAL 10 -13.599 17.407 4.695 81 HG21 VAL 10 HG21 VAL 10 -14.254 14.587 1.631 82 HG22 VAL 10 HG22 VAL 10 -15.542 15.585 2.308 83 HG23 VAL 10 HG23 VAL 10 -14.449 16.257 1.097 84 H GLU 11 H GLU 11 -11.331 18.771 2.135 85 HA GLU 11 HA GLU 11 -9.865 18.838 4.662 86 HB2 GLU 11 HB2 GLU 11 -8.392 19.729 3.192 87 HB3 GLU 11 HB3 GLU 11 -9.653 20.213 2.066 88 HG2 GLU 11 HG2 GLU 11 -10.145 22.166 3.405 89 HG3 GLU 11 HG3 GLU 11 -8.957 21.666 4.608 90 H VAL 12 H VAL 12 -10.689 19.776 6.402 91 HA VAL 12 HA VAL 12 -12.883 21.711 6.053 92 HB VAL 12 HB VAL 12 -13.736 19.868 7.257 93 HG11 VAL 12 HG11 VAL 12 -11.597 18.805 7.793 94 HG12 VAL 12 HG12 VAL 12 -11.308 20.018 9.042 95 HG13 VAL 12 HG13 VAL 12 -12.650 18.885 9.205 96 HG21 VAL 12 HG21 VAL 12 -14.446 20.841 9.274 97 HG22 VAL 12 HG22 VAL 12 -12.947 21.750 9.463 98 HG23 VAL 12 HG23 VAL 12 -14.102 22.205 8.210 99 H SER 13 H SER 13 -12.043 23.703 6.150 100 HA SER 13 HA SER 13 -9.885 24.286 8.026 101 HB2 SER 13 HB2 SER 13 -9.238 25.808 6.511 102 HB3 SER 13 HB3 SER 13 -10.523 25.217 5.457 103 HG SER 13 HG SER 13 -11.910 26.762 6.420 104 H TYR 14 H TYR 14 -10.281 25.077 9.974 105 HA TYR 14 HA TYR 14 -12.921 26.209 10.541 106 HB2 TYR 14 HB2 TYR 14 -11.468 24.354 11.912 107 HB3 TYR 14 HB3 TYR 14 -11.039 25.827 12.776 108 HD1 TYR 14 HD2 TYR 14 -14.231 24.624 11.242 109 HD2 TYR 14 HD1 TYR 14 -12.219 25.933 14.755 110 HE1 TYR 14 HE2 TYR 14 -16.345 24.501 12.491 111 HE2 TYR 14 HE1 TYR 14 -14.328 25.813 16.015 112 HH TYR 14 HH TYR 14 -16.937 24.167 15.078 113 H LYS 15 H LYS 15 -12.343 27.706 12.784 114 HA LYS 15 HA LYS 15 -11.750 30.205 11.756 115 HB2 LYS 15 HB2 LYS 15 -11.472 30.929 14.105 116 HB3 LYS 15 HB3 LYS 15 -12.906 29.938 13.869 117 HG2 LYS 15 HG2 LYS 15 -11.377 27.985 14.613 118 HG3 LYS 15 HG3 LYS 15 -10.352 29.266 15.265 119 HD2 LYS 15 HD2 LYS 15 -13.265 28.829 15.923 120 HD3 LYS 15 HD3 LYS 15 -11.899 28.404 16.957 121 HE2 LYS 15 HE2 LYS 15 -12.773 31.156 16.100 122 HE3 LYS 15 HE3 LYS 15 -12.789 30.482 17.729 123 HZ1 LYS 15 HZ1 LYS 15 -10.915 31.905 17.543 124 HZ2 LYS 15 HZ2 LYS 15 -10.410 31.181 16.100 125 HZ3 LYS 15 HZ3 LYS 15 -10.327 30.318 17.553 126 H HIS 16 H HIS 16 -9.604 28.018 13.563 127 HA HIS 16 HA HIS 16 -7.313 29.272 12.247 128 HB2 HIS 16 HB2 HIS 16 -7.924 30.042 14.772 129 HB3 HIS 16 HB3 HIS 16 -6.898 28.651 15.109 130 HD1 HIS 16 HD1 HIS 16 -4.666 29.541 15.680 131 HD2 HIS 16 HD2 HIS 16 -6.350 31.550 12.457 132 HE1 HIS 16 HE1 HIS 16 -2.908 31.165 14.907 133 H MET 17 H MET 17 -8.583 26.773 11.775 134 HA MET 17 HA MET 17 -6.297 25.030 12.177 135 HB2 MET 17 HB2 MET 17 -8.720 23.541 12.747 136 HB3 MET 17 HB3 MET 17 -7.207 23.600 13.640 137 HG2 MET 17 HG2 MET 17 -7.917 25.569 14.817 138 HG3 MET 17 HG3 MET 17 -9.378 25.671 13.837 139 HE1 MET 17 HE1 MET 17 -9.450 25.039 17.592 140 HE2 MET 17 HE2 MET 17 -9.879 26.158 16.298 141 HE3 MET 17 HE3 MET 17 -11.082 25.030 16.924 142 H ARG 18 H ARG 18 -6.769 22.837 11.049 143 HA ARG 18 HA ARG 18 -8.688 22.859 8.926 144 HB2 ARG 18 HB2 ARG 18 -6.883 24.420 8.101 145 HB3 ARG 18 HB3 ARG 18 -5.787 23.045 8.113 146 HG2 ARG 18 HG2 ARG 18 -6.807 22.037 6.324 147 HG3 ARG 18 HG3 ARG 18 -8.355 22.830 6.623 148 HD2 ARG 18 HD2 ARG 18 -6.932 23.592 4.607 149 HD3 ARG 18 HD3 ARG 18 -7.673 24.816 5.637 150 HE ARG 18 HE ARG 18 -5.008 24.128 6.440 151 HH11 ARG 18 HH11 ARG 18 -6.914 26.099 4.294 152 HH12 ARG 18 HH12 ARG 18 -5.689 27.310 4.107 153 HH21 ARG 18 HH21 ARG 18 -3.387 25.716 6.202 154 HH22 ARG 18 HH22 ARG 18 -3.683 27.091 5.192 155 H PHE 19 H PHE 19 -9.329 20.817 9.220 156 HA PHE 19 HA PHE 19 -7.294 18.722 9.524 157 HB2 PHE 19 HB2 PHE 19 -10.241 18.780 10.178 158 HB3 PHE 19 HB3 PHE 19 -9.278 17.307 10.223 159 HD1 PHE 19 HD1 PHE 19 -8.295 20.720 11.289 160 HD2 PHE 19 HD2 PHE 19 -9.267 16.753 12.484 161 HE1 PHE 19 HE1 PHE 19 -7.605 21.248 13.591 162 HE2 PHE 19 HE2 PHE 19 -8.579 17.274 14.788 163 HZ PHE 19 HZ PHE 19 -7.748 19.525 15.344 164 H LEU 20 H LEU 20 -8.183 16.521 8.592 165 HA LEU 20 HA LEU 20 -9.373 16.944 5.948 166 HB2 LEU 20 HB2 LEU 20 -6.627 16.364 6.448 167 HB3 LEU 20 HB3 LEU 20 -7.367 14.965 5.674 168 HG LEU 20 HG LEU 20 -6.426 16.286 3.951 169 HD11 LEU 20 HD11 LEU 20 -9.210 15.836 4.135 170 HD12 LEU 20 HD12 LEU 20 -8.211 15.948 2.686 171 HD13 LEU 20 HD13 LEU 20 -8.975 17.395 3.343 172 HD21 LEU 20 HD21 LEU 20 -6.248 18.361 5.332 173 HD22 LEU 20 HD22 LEU 20 -7.950 18.669 4.990 174 HD23 LEU 20 HD23 LEU 20 -6.777 18.631 3.672 175 H ILE 21 H ILE 21 -11.178 15.772 6.098 176 HA ILE 21 HA ILE 21 -11.181 13.245 7.543 177 HB ILE 21 HB ILE 21 -13.684 13.403 6.553 178 HG12 ILE 21 HG12 ILE 21 -12.848 15.656 5.498 179 HG13 ILE 21 HG13 ILE 21 -14.449 15.565 6.223 180 HG21 ILE 21 HG21 ILE 21 -12.543 14.731 9.001 181 HG22 ILE 21 HG22 ILE 21 -14.271 14.533 8.717 182 HG23 ILE 21 HG23 ILE 21 -13.234 13.115 8.870 183 HD11 ILE 21 HD11 ILE 21 -13.851 16.844 8.028 184 HD12 ILE 21 HD12 ILE 21 -12.141 16.433 7.890 185 HD13 ILE 21 HD13 ILE 21 -12.872 17.562 6.750 186 H THR 22 H THR 22 -10.689 11.420 6.540 187 HA THR 22 HA THR 22 -10.490 11.207 3.711 188 HB THR 22 HB THR 22 -10.643 8.704 5.282 189 HG1 THR 22 HG1 THR 22 -9.360 9.427 6.796 190 HG21 THR 22 HG21 THR 22 -9.469 9.649 2.876 191 HG22 THR 22 HG22 THR 22 -9.460 8.010 3.528 192 HG23 THR 22 HG23 THR 22 -8.166 9.133 3.946 193 H HIS 23 H HIS 23 -12.660 9.631 6.064 194 HA HIS 23 HA HIS 23 -14.766 8.795 5.865 195 HB2 HIS 23 HB2 HIS 23 -14.664 10.988 3.922 196 HB3 HIS 23 HB3 HIS 23 -15.868 9.761 3.536 197 HD1 HIS 23 HD1 HIS 23 -15.283 12.662 5.664 198 HD2 HIS 23 HD2 HIS 23 -17.794 9.352 5.690 199 HE1 HIS 23 HE1 HIS 23 -17.119 13.224 7.289 200 H ASN 24 H ASN 24 -12.349 7.692 4.336 201 HA ASN 24 HA ASN 24 -13.767 6.128 2.299 202 HB2 ASN 24 HB2 ASN 24 -10.915 6.886 2.734 203 HB3 ASN 24 HB3 ASN 24 -11.248 5.361 1.918 204 HD21 ASN 24 HD21 ASN 24 -13.382 5.872 0.395 205 HD22 ASN 24 HD22 ASN 24 -13.037 7.109 -0.760 206 HA PRO 25 HA PRO 25 -13.720 2.395 4.603 207 HB2 PRO 25 HB2 PRO 25 -13.075 0.546 2.723 208 HB3 PRO 25 HB3 PRO 25 -14.643 1.359 2.772 209 HG2 PRO 25 HG2 PRO 25 -12.254 1.951 1.068 210 HG3 PRO 25 HG3 PRO 25 -13.968 1.909 0.615 211 HD2 PRO 25 HD2 PRO 25 -12.645 4.222 1.095 212 HD3 PRO 25 HD3 PRO 25 -14.372 4.017 1.454 213 H THR 26 H THR 26 -11.720 3.295 5.719 214 HA THR 26 HA THR 26 -9.633 3.005 6.585 215 HB THR 26 HB THR 26 -9.223 0.280 5.587 216 HG1 THR 26 HG1 THR 26 -11.021 -0.484 6.948 217 HG21 THR 26 HG21 THR 26 -8.197 0.132 7.561 218 HG22 THR 26 HG22 THR 26 -9.684 0.542 8.415 219 HG23 THR 26 HG23 THR 26 -8.611 1.822 7.850 220 H ASN 27 H ASN 27 -7.343 1.929 5.954 221 HA ASN 27 HA ASN 27 -6.536 3.321 3.592 222 HB2 ASN 27 HB2 ASN 27 -4.890 1.380 5.224 223 HB3 ASN 27 HB3 ASN 27 -4.297 2.661 4.170 224 HD21 ASN 27 HD21 ASN 27 -4.152 1.988 7.154 225 HD22 ASN 27 HD22 ASN 27 -4.506 3.496 7.920 226 H ALA 28 H ALA 28 -6.345 2.583 1.579 227 HA ALA 28 HA ALA 28 -7.036 -0.166 1.004 228 HB1 ALA 28 HB1 ALA 28 -6.189 1.390 -1.287 229 HB2 ALA 28 HB2 ALA 28 -7.746 0.633 -0.948 230 HB3 ALA 28 HB3 ALA 28 -7.393 2.242 -0.319 231 H THR 29 H THR 29 -4.288 1.975 0.241 232 HA THR 29 HA THR 29 -2.574 -0.417 0.146 233 HB THR 29 HB THR 29 -2.713 0.125 -2.125 234 HG1 THR 29 HG1 THR 29 -0.525 0.028 -1.409 235 HG21 THR 29 HG21 THR 29 -2.956 2.903 -1.133 236 HG22 THR 29 HG22 THR 29 -3.794 2.095 -2.458 237 HG23 THR 29 HG23 THR 29 -2.149 2.689 -2.686 238 H LEU 30 H LEU 30 -3.193 2.537 1.554 239 HA LEU 30 HA LEU 30 -2.082 3.685 3.187 240 HB2 LEU 30 HB2 LEU 30 -1.043 1.317 3.533 241 HB3 LEU 30 HB3 LEU 30 0.377 2.037 2.777 242 HG LEU 30 HG LEU 30 0.469 3.715 4.563 243 HD11 LEU 30 HD11 LEU 30 -1.127 2.669 6.570 244 HD12 LEU 30 HD12 LEU 30 -2.162 2.655 5.142 245 HD13 LEU 30 HD13 LEU 30 -1.407 4.160 5.670 246 HD21 LEU 30 HD21 LEU 30 1.763 1.694 4.826 247 HD22 LEU 30 HD22 LEU 30 0.371 0.852 5.507 248 HD23 LEU 30 HD23 LEU 30 1.115 2.186 6.390 249 H SER 31 H SER 31 0.297 2.692 0.717 250 HA SER 31 HA SER 31 1.919 4.882 0.690 251 HB2 SER 31 HB2 SER 31 1.274 2.759 -1.160 252 HB3 SER 31 HB3 SER 31 1.571 4.263 -2.031 253 HG SER 31 HG SER 31 3.343 3.602 0.012 254 H THR 32 H THR 32 -0.924 4.501 -1.433 255 HA THR 32 HA THR 32 -0.888 7.114 -2.448 256 HB THR 32 HB THR 32 -3.353 5.401 -2.107 257 HG1 THR 32 HG1 THR 32 -1.694 5.425 -4.401 258 HG21 THR 32 HG21 THR 32 -3.117 6.912 -4.557 259 HG22 THR 32 HG22 THR 32 -3.008 7.969 -3.149 260 HG23 THR 32 HG23 THR 32 -4.408 6.918 -3.358 261 H PHE 33 H PHE 33 -2.406 5.746 0.417 262 HA PHE 33 HA PHE 33 -4.064 7.903 1.086 263 HB2 PHE 33 HB2 PHE 33 -4.559 6.053 2.356 264 HB3 PHE 33 HB3 PHE 33 -2.868 5.614 2.570 265 HD1 PHE 33 HD1 PHE 33 -5.135 8.441 3.476 266 HD2 PHE 33 HD2 PHE 33 -2.042 5.782 4.696 267 HE1 PHE 33 HE1 PHE 33 -5.164 9.442 5.724 268 HE2 PHE 33 HE2 PHE 33 -2.068 6.778 6.945 269 HZ PHE 33 HZ PHE 33 -3.631 8.610 7.462 270 H ILE 34 H ILE 34 -0.751 7.152 2.144 271 HA ILE 34 HA ILE 34 -0.374 9.361 3.804 272 HB ILE 34 HB ILE 34 1.744 8.014 2.126 273 HG12 ILE 34 HG12 ILE 34 1.148 7.319 4.981 274 HG13 ILE 34 HG13 ILE 34 0.193 6.594 3.691 275 HG21 ILE 34 HG21 ILE 34 2.740 8.779 4.630 276 HG22 ILE 34 HG22 ILE 34 3.122 9.482 3.059 277 HG23 ILE 34 HG23 ILE 34 1.815 10.156 4.034 278 HD11 ILE 34 HD11 ILE 34 3.179 6.484 3.630 279 HD12 ILE 34 HD12 ILE 34 2.241 5.330 4.579 280 HD13 ILE 34 HD13 ILE 34 2.006 5.435 2.834 281 H GLU 35 H GLU 35 0.091 9.005 0.321 282 HA GLU 35 HA GLU 35 1.323 11.504 -0.122 283 HB2 GLU 35 HB2 GLU 35 -0.428 10.080 -2.117 284 HB3 GLU 35 HB3 GLU 35 0.949 11.125 -2.433 285 HG2 GLU 35 HG2 GLU 35 1.922 9.031 -0.848 286 HG3 GLU 35 HG3 GLU 35 0.867 8.289 -2.050 287 H ASP 36 H ASP 36 -2.045 10.491 -0.002 288 HA ASP 36 HA ASP 36 -3.232 12.804 -1.034 289 HB2 ASP 36 HB2 ASP 36 -4.159 10.412 -0.099 290 HB3 ASP 36 HB3 ASP 36 -4.689 11.509 1.173 291 H LEU 37 H LEU 37 -2.647 11.921 2.370 292 HA LEU 37 HA LEU 37 -3.467 14.455 3.374 293 HB2 LEU 37 HB2 LEU 37 -2.550 13.679 5.501 294 HB3 LEU 37 HB3 LEU 37 -3.583 12.467 4.748 295 HG LEU 37 HG LEU 37 -1.320 11.493 3.878 296 HD11 LEU 37 HD11 LEU 37 -0.390 13.662 5.405 297 HD12 LEU 37 HD12 LEU 37 0.558 12.383 4.646 298 HD13 LEU 37 HD13 LEU 37 0.006 12.201 6.311 299 HD21 LEU 37 HD21 LEU 37 -3.042 10.795 5.825 300 HD22 LEU 37 HD22 LEU 37 -1.578 11.035 6.780 301 HD23 LEU 37 HD23 LEU 37 -1.580 9.886 5.441 302 H LYS 38 H LYS 38 -0.539 13.247 2.047 303 HA LYS 38 HA LYS 38 1.172 15.218 3.273 304 HB2 LYS 38 HB2 LYS 38 1.509 13.001 1.318 305 HB3 LYS 38 HB3 LYS 38 2.692 14.302 1.277 306 HG2 LYS 38 HG2 LYS 38 2.793 13.873 3.860 307 HG3 LYS 38 HG3 LYS 38 2.154 12.293 3.404 308 HD2 LYS 38 HD2 LYS 38 4.607 13.523 2.158 309 HD3 LYS 38 HD3 LYS 38 4.659 12.434 3.545 310 HE2 LYS 38 HE2 LYS 38 4.787 10.784 2.045 311 HE3 LYS 38 HE3 LYS 38 3.073 11.077 1.758 312 HZ1 LYS 38 HZ1 LYS 38 5.124 11.301 -0.068 313 HZ2 LYS 38 HZ2 LYS 38 4.666 12.893 0.272 314 HZ3 LYS 38 HZ3 LYS 38 3.517 11.782 -0.281 315 H LYS 39 H LYS 39 -0.492 14.786 0.205 316 HA LYS 39 HA LYS 39 0.726 17.043 -1.064 317 HB2 LYS 39 HB2 LYS 39 -0.878 16.679 -2.841 318 HB3 LYS 39 HB3 LYS 39 -0.212 15.134 -2.329 319 HG2 LYS 39 HG2 LYS 39 -2.193 14.532 -1.211 320 HG3 LYS 39 HG3 LYS 39 -2.827 16.178 -1.288 321 HD2 LYS 39 HD2 LYS 39 -3.894 14.643 -2.914 322 HD3 LYS 39 HD3 LYS 39 -3.089 16.015 -3.680 323 HE2 LYS 39 HE2 LYS 39 -2.706 13.806 -4.798 324 HE3 LYS 39 HE3 LYS 39 -1.240 14.666 -4.332 325 HZ1 LYS 39 HZ1 LYS 39 -1.129 12.306 -3.787 326 HZ2 LYS 39 HZ2 LYS 39 -2.489 12.454 -2.793 327 HZ3 LYS 39 HZ3 LYS 39 -1.056 13.258 -2.391 328 H TYR 40 H TYR 40 -2.195 16.486 0.799 329 HA TYR 40 HA TYR 40 -3.399 19.004 0.223 330 HB2 TYR 40 HB2 TYR 40 -3.930 16.731 2.041 331 HB3 TYR 40 HB3 TYR 40 -4.553 18.291 2.564 332 HD1 TYR 40 HD2 TYR 40 -4.532 15.980 -0.359 333 HD2 TYR 40 HD1 TYR 40 -6.585 19.067 1.730 334 HE1 TYR 40 HE2 TYR 40 -6.462 15.703 -1.858 335 HE2 TYR 40 HE1 TYR 40 -8.521 18.797 0.237 336 HH TYR 40 HH TYR 40 -8.755 17.841 -2.319 337 H GLY 41 H GLY 41 -0.710 18.185 2.020 338 HA2 GLY 41 HA2 GLY 41 0.684 19.604 3.219 339 HA3 GLY 41 HA3 GLY 41 -0.570 20.834 3.166 340 H ALA 42 H ALA 42 -1.127 17.576 4.323 341 HA ALA 42 HA ALA 42 -1.693 18.690 6.980 342 HB1 ALA 42 HB1 ALA 42 -2.619 16.155 5.643 343 HB2 ALA 42 HB2 ALA 42 -2.952 16.558 7.328 344 HB3 ALA 42 HB3 ALA 42 -3.582 17.579 6.036 345 H THR 43 H THR 43 -0.281 18.356 8.554 346 HA THR 43 HA THR 43 1.776 16.310 8.234 347 HB THR 43 HB THR 43 2.925 17.396 10.090 348 HG1 THR 43 HG1 THR 43 1.392 18.187 11.421 349 HG21 THR 43 HG21 THR 43 3.597 19.321 8.964 350 HG22 THR 43 HG22 THR 43 1.977 19.642 8.345 351 HG23 THR 43 HG23 THR 43 2.933 18.322 7.672 352 H THR 44 H THR 44 -0.874 15.422 8.812 353 HA THR 44 HA THR 44 -0.323 13.965 11.276 354 HB THR 44 HB THR 44 -3.094 14.552 11.374 355 HG1 THR 44 HG1 THR 44 -1.610 16.957 11.494 356 HG21 THR 44 HG21 THR 44 -1.002 15.755 13.164 357 HG22 THR 44 HG22 THR 44 -1.372 14.031 13.204 358 HG23 THR 44 HG23 THR 44 -2.627 15.211 13.576 359 H VAL 45 H VAL 45 -1.292 11.945 11.382 360 HA VAL 45 HA VAL 45 -2.290 10.941 8.834 361 HB VAL 45 HB VAL 45 -1.883 9.211 11.244 362 HG11 VAL 45 HG11 VAL 45 -2.710 7.952 9.495 363 HG12 VAL 45 HG12 VAL 45 -1.845 8.886 8.274 364 HG13 VAL 45 HG13 VAL 45 -0.970 7.744 9.295 365 HG21 VAL 45 HG21 VAL 45 0.425 9.122 11.020 366 HG22 VAL 45 HG22 VAL 45 0.399 9.844 9.411 367 HG23 VAL 45 HG23 VAL 45 0.085 10.842 10.830 368 H VAL 46 H VAL 46 -4.283 10.034 8.519 369 HA VAL 46 HA VAL 46 -6.387 10.881 10.260 370 HB VAL 46 HB VAL 46 -7.898 10.071 8.660 371 HG11 VAL 46 HG11 VAL 46 -6.804 11.916 7.708 372 HG12 VAL 46 HG12 VAL 46 -5.349 10.981 7.357 373 HG13 VAL 46 HG13 VAL 46 -6.825 10.697 6.433 374 HG21 VAL 46 HG21 VAL 46 -5.807 8.054 8.169 375 HG22 VAL 46 HG22 VAL 46 -7.563 7.894 8.163 376 HG23 VAL 46 HG23 VAL 46 -6.733 8.558 6.755 377 H ARG 47 H ARG 47 -4.510 9.080 11.502 378 HA ARG 47 HA ARG 47 -5.514 6.452 11.682 379 HB2 ARG 47 HB2 ARG 47 -3.628 8.131 13.243 380 HB3 ARG 47 HB3 ARG 47 -4.307 6.731 14.063 381 HG2 ARG 47 HG2 ARG 47 -3.571 5.469 11.899 382 HG3 ARG 47 HG3 ARG 47 -2.489 6.851 11.708 383 HD2 ARG 47 HD2 ARG 47 -1.135 5.501 12.944 384 HD3 ARG 47 HD3 ARG 47 -1.979 6.325 14.254 385 HE ARG 47 HE ARG 47 -3.311 3.934 13.438 386 HH11 ARG 47 HH11 ARG 47 -0.692 5.180 15.363 387 HH12 ARG 47 HH12 ARG 47 -0.682 3.836 16.456 388 HH21 ARG 47 HH21 ARG 47 -3.308 2.158 14.870 389 HH22 ARG 47 HH22 ARG 47 -2.170 2.117 16.174 390 H VAL 48 H VAL 48 -7.047 9.214 12.485 391 HA VAL 48 HA VAL 48 -8.136 8.640 15.037 392 HB VAL 48 HB VAL 48 -9.473 10.288 12.895 393 HG11 VAL 48 HG11 VAL 48 -10.993 10.323 14.567 394 HG12 VAL 48 HG12 VAL 48 -9.804 9.910 15.804 395 HG13 VAL 48 HG13 VAL 48 -9.923 11.567 15.213 396 HG21 VAL 48 HG21 VAL 48 -7.626 11.549 12.877 397 HG22 VAL 48 HG22 VAL 48 -8.108 12.057 14.496 398 HG23 VAL 48 HG23 VAL 48 -6.954 10.739 14.292 399 H CYS 49 H CYS 49 -8.625 6.349 14.713 400 HA CYS 49 HA CYS 49 -11.345 5.851 14.424 401 HB2 CYS 49 HB2 CYS 49 -11.529 4.711 12.318 402 HB3 CYS 49 HB3 CYS 49 -10.847 6.303 12.010 403 HG CYS 49 HG CYS 49 -9.690 3.407 11.112 404 H GLU 50 H GLU 50 -11.349 3.213 13.506 405 HA GLU 50 HA GLU 50 -10.242 1.881 15.778 406 HB2 GLU 50 HB2 GLU 50 -12.390 1.334 14.394 407 HB3 GLU 50 HB3 GLU 50 -11.282 0.431 13.370 408 HG2 GLU 50 HG2 GLU 50 -12.039 -1.179 14.829 409 HG3 GLU 50 HG3 GLU 50 -10.519 -0.681 15.569 410 H VAL 51 H VAL 51 -8.040 2.868 14.919 411 HA VAL 51 HA VAL 51 -6.720 1.175 12.970 412 HB VAL 51 HB VAL 51 -4.701 2.582 13.558 413 HG11 VAL 51 HG11 VAL 51 -6.564 4.642 12.780 414 HG12 VAL 51 HG12 VAL 51 -5.310 3.843 11.829 415 HG13 VAL 51 HG13 VAL 51 -6.916 3.124 11.955 416 HG21 VAL 51 HG21 VAL 51 -6.715 4.269 15.032 417 HG22 VAL 51 HG22 VAL 51 -5.555 3.204 15.827 418 HG23 VAL 51 HG23 VAL 51 -4.985 4.565 14.860 419 H THR 52 H THR 52 -4.969 -0.182 13.389 420 HA THR 52 HA THR 52 -4.172 -0.673 16.139 421 HB THR 52 HB THR 52 -4.686 -3.035 16.127 422 HG1 THR 52 HG1 THR 52 -6.152 -2.771 13.731 423 HG21 THR 52 HG21 THR 52 -7.107 -1.419 15.318 424 HG22 THR 52 HG22 THR 52 -6.435 -1.528 16.945 425 HG23 THR 52 HG23 THR 52 -7.133 -2.956 16.182 426 H TYR 53 H TYR 53 -2.742 0.356 13.944 427 HA TYR 53 HA TYR 53 -0.757 -1.782 13.574 428 HB2 TYR 53 HB2 TYR 53 -0.347 -1.089 11.300 429 HB3 TYR 53 HB3 TYR 53 -2.067 -1.419 11.481 430 HD1 TYR 53 HD1 TYR 53 0.452 1.266 11.185 431 HD2 TYR 53 HD2 TYR 53 -3.689 0.291 11.149 432 HE1 TYR 53 HE1 TYR 53 -0.062 3.507 10.312 433 HE2 TYR 53 HE2 TYR 53 -4.214 2.529 10.274 434 HH TYR 53 HH TYR 53 -2.291 4.429 8.807 435 H ASP 54 H ASP 54 1.421 -1.068 13.339 436 HA ASP 54 HA ASP 54 1.985 1.298 14.893 437 HB2 ASP 54 HB2 ASP 54 3.473 -1.077 13.983 438 HB3 ASP 54 HB3 ASP 54 4.427 0.402 14.071 439 H LYS 55 H LYS 55 2.830 3.194 14.198 440 HA LYS 55 HA LYS 55 2.538 3.872 11.446 441 HB2 LYS 55 HB2 LYS 55 3.553 6.068 12.191 442 HB3 LYS 55 HB3 LYS 55 2.081 5.585 13.024 443 HG2 LYS 55 HG2 LYS 55 4.548 4.683 14.316 444 HG3 LYS 55 HG3 LYS 55 4.355 6.436 14.240 445 HD2 LYS 55 HD2 LYS 55 2.741 6.420 15.787 446 HD3 LYS 55 HD3 LYS 55 1.903 5.075 15.011 447 HE2 LYS 55 HE2 LYS 55 3.127 3.478 16.182 448 HE3 LYS 55 HE3 LYS 55 4.415 4.615 16.575 449 HZ1 LYS 55 HZ1 LYS 55 1.661 4.805 17.662 450 HZ2 LYS 55 HZ2 LYS 55 3.013 5.702 18.140 451 HZ3 LYS 55 HZ3 LYS 55 2.939 4.044 18.468 452 H THR 56 H THR 56 3.919 2.912 10.059 453 HA THR 56 HA THR 56 6.783 2.902 10.683 454 HB THR 56 HB THR 56 6.836 0.922 9.670 455 HG1 THR 56 HG1 THR 56 6.294 0.805 7.401 456 HG21 THR 56 HG21 THR 56 4.770 -0.175 8.950 457 HG22 THR 56 HG22 THR 56 3.930 1.376 8.977 458 HG23 THR 56 HG23 THR 56 4.535 0.674 10.477 459 HA PRO 57 HA PRO 57 6.663 5.002 6.334 460 HB2 PRO 57 HB2 PRO 57 4.227 5.646 5.324 461 HB3 PRO 57 HB3 PRO 57 5.005 4.086 5.033 462 HG2 PRO 57 HG2 PRO 57 2.877 4.802 7.013 463 HG3 PRO 57 HG3 PRO 57 3.001 3.371 5.972 464 HD2 PRO 57 HD2 PRO 57 3.681 3.329 8.593 465 HD3 PRO 57 HD3 PRO 57 4.496 2.322 7.380 466 H LEU 58 H LEU 58 3.545 6.251 7.491 467 HA LEU 58 HA LEU 58 4.111 8.929 7.261 468 HB2 LEU 58 HB2 LEU 58 2.252 9.358 8.651 469 HB3 LEU 58 HB3 LEU 58 1.896 7.870 7.776 470 HG LEU 58 HG LEU 58 1.121 7.620 10.018 471 HD11 LEU 58 HD11 LEU 58 2.499 5.765 8.841 472 HD12 LEU 58 HD12 LEU 58 2.089 5.592 10.547 473 HD13 LEU 58 HD13 LEU 58 3.705 6.120 10.078 474 HD21 LEU 58 HD21 LEU 58 3.699 7.805 11.372 475 HD22 LEU 58 HD22 LEU 58 2.123 8.445 11.838 476 HD23 LEU 58 HD23 LEU 58 3.140 9.340 10.707 477 H GLU 59 H GLU 59 5.326 6.710 9.574 478 HA GLU 59 HA GLU 59 5.926 8.534 11.664 479 HB2 GLU 59 HB2 GLU 59 5.904 6.265 12.279 480 HB3 GLU 59 HB3 GLU 59 6.933 5.799 10.933 481 HG2 GLU 59 HG2 GLU 59 8.143 5.680 13.025 482 HG3 GLU 59 HG3 GLU 59 8.826 6.924 11.978 483 H LYS 60 H LYS 60 7.943 7.118 9.093 484 HA LYS 60 HA LYS 60 10.216 8.721 9.727 485 HB2 LYS 60 HB2 LYS 60 9.665 7.312 7.115 486 HB3 LYS 60 HB3 LYS 60 11.230 7.768 7.774 487 HG2 LYS 60 HG2 LYS 60 9.367 5.655 8.833 488 HG3 LYS 60 HG3 LYS 60 10.921 5.406 8.034 489 HD2 LYS 60 HD2 LYS 60 12.069 6.504 9.872 490 HD3 LYS 60 HD3 LYS 60 10.526 6.846 10.657 491 HE2 LYS 60 HE2 LYS 60 10.948 4.941 11.775 492 HE3 LYS 60 HE3 LYS 60 10.335 4.169 10.314 493 HZ1 LYS 60 HZ1 LYS 60 12.862 4.442 9.630 494 HZ2 LYS 60 HZ2 LYS 60 12.302 3.094 10.485 495 HZ3 LYS 60 HZ3 LYS 60 13.070 4.357 11.307 496 H ASP 61 H ASP 61 7.353 9.255 7.939 497 HA ASP 61 HA ASP 61 8.411 11.274 6.189 498 HB2 ASP 61 HB2 ASP 61 5.848 9.953 6.624 499 HB3 ASP 61 HB3 ASP 61 5.670 11.679 6.321 500 H GLY 62 H GLY 62 7.925 11.225 9.438 501 HA2 GLY 62 HA2 GLY 62 7.969 12.899 11.016 502 HA3 GLY 62 HA3 GLY 62 8.218 14.041 9.703 503 H ILE 63 H ILE 63 5.467 11.874 9.921 504 HA ILE 63 HA ILE 63 3.731 14.233 10.190 505 HB ILE 63 HB ILE 63 3.102 11.494 9.086 506 HG12 ILE 63 HG12 ILE 63 2.970 14.068 7.554 507 HG13 ILE 63 HG13 ILE 63 4.521 13.265 7.774 508 HG21 ILE 63 HG21 ILE 63 0.957 11.942 9.424 509 HG22 ILE 63 HG22 ILE 63 1.379 13.483 10.170 510 HG23 ILE 63 HG23 ILE 63 1.111 13.390 8.429 511 HD11 ILE 63 HD11 ILE 63 3.597 12.613 5.670 512 HD12 ILE 63 HD12 ILE 63 3.542 11.227 6.760 513 HD13 ILE 63 HD13 ILE 63 2.075 12.148 6.430 514 H THR 64 H THR 64 2.402 14.451 11.887 515 HA THR 64 HA THR 64 2.720 12.856 14.186 516 HB THR 64 HB THR 64 0.707 14.967 13.444 517 HG1 THR 64 HG1 THR 64 2.542 15.016 15.593 518 HG21 THR 64 HG21 THR 64 0.867 13.382 16.009 519 HG22 THR 64 HG22 THR 64 -0.498 13.472 14.895 520 HG23 THR 64 HG23 THR 64 -0.026 14.892 15.828 521 H VAL 65 H VAL 65 1.843 10.973 14.721 522 HA VAL 65 HA VAL 65 -0.213 9.804 13.055 523 HB VAL 65 HB VAL 65 0.576 8.364 15.499 524 HG11 VAL 65 HG11 VAL 65 1.057 7.218 12.839 525 HG12 VAL 65 HG12 VAL 65 0.180 6.558 14.221 526 HG13 VAL 65 HG13 VAL 65 -0.608 7.713 13.145 527 HG21 VAL 65 HG21 VAL 65 2.719 9.182 15.267 528 HG22 VAL 65 HG22 VAL 65 2.783 7.740 14.253 529 HG23 VAL 65 HG23 VAL 65 2.588 9.329 13.515 530 H VAL 66 H VAL 66 -2.259 10.375 13.408 531 HA VAL 66 HA VAL 66 -3.159 10.882 16.153 532 HB VAL 66 HB VAL 66 -4.732 11.390 13.634 533 HG11 VAL 66 HG11 VAL 66 -5.850 11.307 15.911 534 HG12 VAL 66 HG12 VAL 66 -4.939 12.768 16.298 535 HG13 VAL 66 HG13 VAL 66 -6.096 12.775 14.966 536 HG21 VAL 66 HG21 VAL 66 -2.780 12.673 13.314 537 HG22 VAL 66 HG22 VAL 66 -3.976 13.791 13.970 538 HG23 VAL 66 HG23 VAL 66 -2.712 13.139 15.014 539 H ASP 67 H ASP 67 -3.387 8.765 16.890 540 HA ASP 67 HA ASP 67 -5.430 7.143 15.524 541 HB2 ASP 67 HB2 ASP 67 -4.400 5.320 17.112 542 HB3 ASP 67 HB3 ASP 67 -3.586 5.753 15.611 543 H TRP 68 H TRP 68 -7.368 7.302 16.421 544 HA TRP 68 HA TRP 68 -7.620 7.085 19.318 545 HB2 TRP 68 HB2 TRP 68 -8.999 9.288 17.770 546 HB3 TRP 68 HB3 TRP 68 -9.116 8.985 19.502 547 HD1 TRP 68 HD1 TRP 68 -7.441 11.228 17.222 548 HE1 TRP 68 HE1 TRP 68 -5.342 12.277 18.278 549 HE3 TRP 68 HE3 TRP 68 -6.881 8.081 21.212 550 HZ2 TRP 68 HZ2 TRP 68 -3.669 11.829 20.508 551 HZ3 TRP 68 HZ3 TRP 68 -5.006 8.459 22.758 552 HH2 TRP 68 HH2 TRP 68 -3.434 10.295 22.412 553 HA PRO 69 HA PRO 69 -11.011 4.483 18.307 554 HB2 PRO 69 HB2 PRO 69 -12.534 4.759 20.537 555 HB3 PRO 69 HB3 PRO 69 -11.017 3.852 20.516 556 HG2 PRO 69 HG2 PRO 69 -11.539 6.648 21.449 557 HG3 PRO 69 HG3 PRO 69 -10.550 5.383 22.203 558 HD2 PRO 69 HD2 PRO 69 -9.476 7.397 20.746 559 HD3 PRO 69 HD3 PRO 69 -8.760 5.774 20.805 560 H PHE 70 H PHE 70 -11.156 7.629 17.909 561 HA PHE 70 HA PHE 70 -13.643 8.648 18.229 562 HB2 PHE 70 HB2 PHE 70 -11.682 8.889 15.977 563 HB3 PHE 70 HB3 PHE 70 -13.256 9.665 15.841 564 HD1 PHE 70 HD2 PHE 70 -11.212 9.263 18.903 565 HD2 PHE 70 HD1 PHE 70 -12.682 11.928 15.928 566 HE1 PHE 70 HE2 PHE 70 -10.378 11.174 20.208 567 HE2 PHE 70 HE1 PHE 70 -11.849 13.844 17.228 568 HZ PHE 70 HZ PHE 70 -10.696 13.468 19.372 569 H ASP 71 H ASP 71 -12.683 6.205 15.895 570 HA ASP 71 HA ASP 71 -15.209 6.187 14.530 571 HB2 ASP 71 HB2 ASP 71 -13.169 5.531 13.357 572 HB3 ASP 71 HB3 ASP 71 -12.926 4.202 14.487 573 H ASP 72 H ASP 72 -16.274 6.026 16.778 574 HA ASP 72 HA ASP 72 -17.659 4.833 18.134 575 HB2 ASP 72 HB2 ASP 72 -17.070 2.332 16.578 576 HB3 ASP 72 HB3 ASP 72 -18.569 2.821 17.363 577 H GLY 73 H GLY 73 -17.505 3.661 20.030 578 HA2 GLY 73 HA2 GLY 73 -16.537 2.222 21.595 579 HA3 GLY 73 HA3 GLY 73 -15.225 1.915 20.467 580 H ALA 74 H ALA 74 -16.476 4.936 21.869 581 HA ALA 74 HA ALA 74 -13.791 5.404 22.994 582 HB1 ALA 74 HB1 ALA 74 -13.774 7.018 21.395 583 HB2 ALA 74 HB2 ALA 74 -15.532 7.166 21.365 584 HB3 ALA 74 HB3 ALA 74 -14.606 7.911 22.668 585 HA PRO 75 HA PRO 75 -15.605 6.143 26.920 586 HB2 PRO 75 HB2 PRO 75 -14.124 8.210 27.870 587 HB3 PRO 75 HB3 PRO 75 -13.491 6.567 27.712 588 HG2 PRO 75 HG2 PRO 75 -13.138 8.917 25.891 589 HG3 PRO 75 HG3 PRO 75 -11.938 7.726 26.426 590 HD2 PRO 75 HD2 PRO 75 -13.130 7.603 23.998 591 HD3 PRO 75 HD3 PRO 75 -12.630 6.152 24.891 592 HA PRO 76 HA PRO 76 -18.669 9.287 26.165 593 HB2 PRO 76 HB2 PRO 76 -20.086 8.876 28.444 594 HB3 PRO 76 HB3 PRO 76 -20.183 7.800 27.046 595 HG2 PRO 76 HG2 PRO 76 -18.605 7.487 29.570 596 HG3 PRO 76 HG3 PRO 76 -19.553 6.277 28.686 597 HD2 PRO 76 HD2 PRO 76 -16.857 6.442 28.493 598 HD3 PRO 76 HD3 PRO 76 -17.880 5.912 27.142 599 HA PRO 77 HA PRO 77 -17.372 11.499 30.332 600 HB2 PRO 77 HB2 PRO 77 -14.869 10.839 31.149 601 HB3 PRO 77 HB3 PRO 77 -16.318 10.004 31.722 602 HG2 PRO 77 HG2 PRO 77 -14.379 9.190 29.590 603 HG3 PRO 77 HG3 PRO 77 -15.125 8.202 30.861 604 HD2 PRO 77 HD2 PRO 77 -16.019 8.204 28.305 605 HD3 PRO 77 HD3 PRO 77 -17.098 7.965 29.694 606 H GLY 78 H GLY 78 -15.208 12.898 30.827 607 HA2 GLY 78 HA2 GLY 78 -14.652 14.208 28.288 608 HA3 GLY 78 HA3 GLY 78 -14.270 14.827 29.888 609 H LYS 79 H LYS 79 -13.416 11.757 28.313 610 HA LYS 79 HA LYS 79 -10.639 12.181 29.087 611 HB2 LYS 79 HB2 LYS 79 -11.713 10.000 29.526 612 HB3 LYS 79 HB3 LYS 79 -11.959 9.784 27.798 613 HG2 LYS 79 HG2 LYS 79 -10.031 8.525 28.642 614 HG3 LYS 79 HG3 LYS 79 -9.574 9.720 27.426 615 HD2 LYS 79 HD2 LYS 79 -8.611 11.138 29.014 616 HD3 LYS 79 HD3 LYS 79 -9.454 10.360 30.355 617 HE2 LYS 79 HE2 LYS 79 -7.073 9.779 30.311 618 HE3 LYS 79 HE3 LYS 79 -8.099 8.364 30.078 619 HZ1 LYS 79 HZ1 LYS 79 -7.714 8.602 27.663 620 HZ2 LYS 79 HZ2 LYS 79 -6.300 8.278 28.531 621 HZ3 LYS 79 HZ3 LYS 79 -6.612 9.846 27.979 622 H VAL 80 H VAL 80 -12.376 11.206 26.125 623 HA VAL 80 HA VAL 80 -10.299 11.350 24.328 624 HB VAL 80 HB VAL 80 -13.188 12.103 23.877 625 HG11 VAL 80 HG11 VAL 80 -12.149 11.173 21.489 626 HG12 VAL 80 HG12 VAL 80 -12.523 12.852 21.885 627 HG13 VAL 80 HG13 VAL 80 -10.887 12.233 22.115 628 HG21 VAL 80 HG21 VAL 80 -13.626 9.925 23.869 629 HG22 VAL 80 HG22 VAL 80 -12.331 9.620 22.711 630 HG23 VAL 80 HG23 VAL 80 -11.983 9.637 24.440 631 H VAL 81 H VAL 81 -12.141 13.964 25.750 632 HA VAL 81 HA VAL 81 -11.608 16.072 24.073 633 HB VAL 81 HB VAL 81 -11.889 17.552 25.928 634 HG11 VAL 81 HG11 VAL 81 -14.007 16.951 26.526 635 HG12 VAL 81 HG12 VAL 81 -13.749 15.814 25.201 636 HG13 VAL 81 HG13 VAL 81 -13.556 15.282 26.872 637 HG21 VAL 81 HG21 VAL 81 -10.368 16.808 27.544 638 HG22 VAL 81 HG22 VAL 81 -11.947 16.542 28.282 639 HG23 VAL 81 HG23 VAL 81 -11.062 15.187 27.582 640 H GLU 82 H GLU 82 -9.504 14.709 26.576 641 HA GLU 82 HA GLU 82 -7.455 16.565 26.544 642 HB2 GLU 82 HB2 GLU 82 -7.590 13.639 27.117 643 HB3 GLU 82 HB3 GLU 82 -6.007 14.391 26.980 644 HG2 GLU 82 HG2 GLU 82 -7.458 16.090 28.634 645 HG3 GLU 82 HG3 GLU 82 -7.898 14.463 29.151 646 H ASP 83 H ASP 83 -7.803 13.670 24.507 647 HA ASP 83 HA ASP 83 -5.453 14.140 22.993 648 HB2 ASP 83 HB2 ASP 83 -7.907 12.515 22.287 649 HB3 ASP 83 HB3 ASP 83 -6.358 12.441 21.452 650 H TRP 84 H TRP 84 -8.795 15.135 22.647 651 HA TRP 84 HA TRP 84 -8.817 15.965 20.000 652 HB2 TRP 84 HB2 TRP 84 -10.595 16.064 22.079 653 HB3 TRP 84 HB3 TRP 84 -10.221 17.770 21.850 654 HD1 TRP 84 HD1 TRP 84 -12.752 15.500 20.842 655 HE1 TRP 84 HE1 TRP 84 -13.802 16.115 18.574 656 HE3 TRP 84 HE3 TRP 84 -9.173 18.729 19.139 657 HZ2 TRP 84 HZ2 TRP 84 -13.194 17.752 16.357 658 HZ3 TRP 84 HZ3 TRP 84 -9.483 19.777 16.934 659 HH2 TRP 84 HH2 TRP 84 -11.452 19.296 15.573 660 H LEU 85 H LEU 85 -8.447 18.187 22.767 661 HA LEU 85 HA LEU 85 -7.486 20.334 21.251 662 HB2 LEU 85 HB2 LEU 85 -6.949 19.741 24.157 663 HB3 LEU 85 HB3 LEU 85 -6.791 21.309 23.368 664 HG LEU 85 HG LEU 85 -8.822 21.667 24.262 665 HD11 LEU 85 HD11 LEU 85 -10.557 21.364 22.734 666 HD12 LEU 85 HD12 LEU 85 -9.907 19.831 22.155 667 HD13 LEU 85 HD13 LEU 85 -9.103 21.343 21.735 668 HD21 LEU 85 HD21 LEU 85 -8.565 18.995 25.010 669 HD22 LEU 85 HD22 LEU 85 -10.125 19.095 24.194 670 HD23 LEU 85 HD23 LEU 85 -9.780 20.146 25.568 671 H SER 86 H SER 86 -5.736 17.875 23.122 672 HA SER 86 HA SER 86 -3.156 18.796 22.846 673 HB2 SER 86 HB2 SER 86 -3.846 16.804 24.181 674 HB3 SER 86 HB3 SER 86 -3.999 15.893 22.679 675 HG SER 86 HG SER 86 -1.744 16.647 24.068 676 H LEU 87 H LEU 87 -4.864 16.581 20.637 677 HA LEU 87 HA LEU 87 -2.835 16.356 18.731 678 HB2 LEU 87 HB2 LEU 87 -4.485 14.800 18.433 679 HB3 LEU 87 HB3 LEU 87 -5.780 15.956 18.740 680 HG LEU 87 HG LEU 87 -5.331 16.931 16.478 681 HD11 LEU 87 HD11 LEU 87 -3.581 14.492 16.206 682 HD12 LEU 87 HD12 LEU 87 -3.051 16.173 16.175 683 HD13 LEU 87 HD13 LEU 87 -4.075 15.548 14.882 684 HD21 LEU 87 HD21 LEU 87 -7.196 15.628 16.399 685 HD22 LEU 87 HD22 LEU 87 -6.358 14.194 16.992 686 HD23 LEU 87 HD23 LEU 87 -6.163 14.699 15.313 687 H VAL 88 H VAL 88 -5.803 18.313 18.401 688 HA VAL 88 HA VAL 88 -5.058 19.761 16.172 689 HB VAL 88 HB VAL 88 -7.325 19.769 17.239 690 HG11 VAL 88 HG11 VAL 88 -6.041 21.781 19.084 691 HG12 VAL 88 HG12 VAL 88 -7.770 21.440 18.983 692 HG13 VAL 88 HG13 VAL 88 -6.655 20.191 19.536 693 HG21 VAL 88 HG21 VAL 88 -6.800 21.302 15.437 694 HG22 VAL 88 HG22 VAL 88 -7.835 22.100 16.621 695 HG23 VAL 88 HG23 VAL 88 -6.107 22.450 16.582 696 H LYS 89 H LYS 89 -3.954 20.070 19.430 697 HA LYS 89 HA LYS 89 -2.833 22.717 19.009 698 HB2 LYS 89 HB2 LYS 89 -2.946 20.820 21.335 699 HB3 LYS 89 HB3 LYS 89 -1.845 22.192 21.356 700 HG2 LYS 89 HG2 LYS 89 -3.712 23.722 21.089 701 HG3 LYS 89 HG3 LYS 89 -4.832 22.361 21.003 702 HD2 LYS 89 HD2 LYS 89 -4.824 23.365 23.232 703 HD3 LYS 89 HD3 LYS 89 -4.221 21.707 23.277 704 HE2 LYS 89 HE2 LYS 89 -2.890 23.272 24.660 705 HE3 LYS 89 HE3 LYS 89 -1.947 22.484 23.396 706 HZ1 LYS 89 HZ1 LYS 89 -1.672 24.994 23.752 707 HZ2 LYS 89 HZ2 LYS 89 -3.148 25.139 22.938 708 HZ3 LYS 89 HZ3 LYS 89 -1.824 24.424 22.166 709 H ALA 90 H ALA 90 -1.875 19.419 18.762 710 HA ALA 90 HA ALA 90 0.965 20.007 18.873 711 HB1 ALA 90 HB1 ALA 90 1.270 17.617 18.486 712 HB2 ALA 90 HB2 ALA 90 0.142 17.908 19.810 713 HB3 ALA 90 HB3 ALA 90 -0.464 17.432 18.224 714 H LYS 91 H LYS 91 -1.148 18.457 16.447 715 HA LYS 91 HA LYS 91 0.545 18.459 14.301 716 HB2 LYS 91 HB2 LYS 91 -1.619 18.818 12.919 717 HB3 LYS 91 HB3 LYS 91 -1.489 17.389 13.936 718 HG2 LYS 91 HG2 LYS 91 -3.432 17.959 14.831 719 HG3 LYS 91 HG3 LYS 91 -2.611 19.329 15.584 720 HD2 LYS 91 HD2 LYS 91 -3.426 19.679 12.765 721 HD3 LYS 91 HD3 LYS 91 -4.733 19.582 13.949 722 HE2 LYS 91 HE2 LYS 91 -2.983 21.276 15.179 723 HE3 LYS 91 HE3 LYS 91 -2.758 21.698 13.482 724 HZ1 LYS 91 HZ1 LYS 91 -4.662 22.799 13.509 725 HZ2 LYS 91 HZ2 LYS 91 -4.820 22.486 15.164 726 HZ3 LYS 91 HZ3 LYS 91 -5.510 21.433 14.034 727 H PHE 92 H PHE 92 -1.176 21.173 15.670 728 HA PHE 92 HA PHE 92 -0.471 22.926 13.466 729 HB2 PHE 92 HB2 PHE 92 -2.510 23.622 14.241 730 HB3 PHE 92 HB3 PHE 92 -2.170 23.128 15.896 731 HD1 PHE 92 HD1 PHE 92 -1.164 25.670 13.369 732 HD2 PHE 92 HD2 PHE 92 -1.715 24.736 17.485 733 HE1 PHE 92 HE1 PHE 92 -0.681 28.009 13.961 734 HE2 PHE 92 HE2 PHE 92 -1.234 27.073 18.084 735 HZ PHE 92 HZ PHE 92 -0.717 28.713 16.321 736 H CYS 93 H CYS 93 0.598 22.181 16.705 737 HA CYS 93 HA CYS 93 2.366 24.458 16.867 738 HB2 CYS 93 HB2 CYS 93 1.339 23.575 18.903 739 HB3 CYS 93 HB3 CYS 93 2.110 22.017 18.634 740 HG CYS 93 HG CYS 93 4.564 24.061 18.612 741 H GLU 94 H GLU 94 2.476 21.365 15.489 742 HA GLU 94 HA GLU 94 5.397 21.224 15.605 743 HB2 GLU 94 HB2 GLU 94 5.144 18.981 14.662 744 HB3 GLU 94 HB3 GLU 94 4.168 19.170 16.111 745 HG2 GLU 94 HG2 GLU 94 2.401 18.483 14.984 746 HG3 GLU 94 HG3 GLU 94 2.535 19.896 13.939 747 H ALA 95 H ALA 95 2.769 21.882 13.431 748 HA ALA 95 HA ALA 95 4.720 22.324 11.266 749 HB1 ALA 95 HB1 ALA 95 1.871 21.697 10.645 750 HB2 ALA 95 HB2 ALA 95 3.321 21.429 9.676 751 HB3 ALA 95 HB3 ALA 95 2.978 20.386 11.056 752 HA PRO 96 HA PRO 96 3.331 26.485 11.060 753 HB2 PRO 96 HB2 PRO 96 3.665 27.009 8.417 754 HB3 PRO 96 HB3 PRO 96 5.019 26.842 9.542 755 HG2 PRO 96 HG2 PRO 96 3.894 24.839 7.623 756 HG3 PRO 96 HG3 PRO 96 5.589 25.218 7.979 757 HD2 PRO 96 HD2 PRO 96 4.325 23.066 9.030 758 HD3 PRO 96 HD3 PRO 96 5.602 23.943 9.898 759 H GLY 97 H GLY 97 1.097 26.008 11.576 760 HA2 GLY 97 HA2 GLY 97 -1.167 25.954 11.162 761 HA3 GLY 97 HA3 GLY 97 -0.770 27.096 9.887 762 H SER 98 H SER 98 0.518 23.873 9.802 763 HA SER 98 HA SER 98 -0.449 23.348 7.226 764 HB2 SER 98 HB2 SER 98 0.454 21.352 9.317 765 HB3 SER 98 HB3 SER 98 0.341 21.055 7.582 766 HG SER 98 HG SER 98 1.883 22.825 7.360 767 H CYS 99 H CYS 99 -1.481 20.791 7.248 768 HA CYS 99 HA CYS 99 -4.142 21.239 8.425 769 HB2 CYS 99 HB2 CYS 99 -3.404 19.555 6.023 770 HB3 CYS 99 HB3 CYS 99 -5.032 19.837 6.629 771 HG CYS 99 HG CYS 99 -5.204 21.524 4.631 772 H VAL 100 H VAL 100 -5.367 19.155 8.845 773 HA VAL 100 HA VAL 100 -3.552 17.120 9.967 774 HB VAL 100 HB VAL 100 -4.352 17.510 12.000 775 HG11 VAL 100 HG11 VAL 100 -6.344 19.412 10.768 776 HG12 VAL 100 HG12 VAL 100 -5.867 19.349 12.467 777 HG13 VAL 100 HG13 VAL 100 -4.694 19.822 11.237 778 HG21 VAL 100 HG21 VAL 100 -6.632 16.924 12.573 779 HG22 VAL 100 HG22 VAL 100 -7.115 17.041 10.881 780 HG23 VAL 100 HG23 VAL 100 -5.998 15.777 11.393 781 H ALA 101 H ALA 101 -4.032 15.030 9.564 782 HA ALA 101 HA ALA 101 -6.385 14.508 7.884 783 HB1 ALA 101 HB1 ALA 101 -3.828 13.920 7.341 784 HB2 ALA 101 HB2 ALA 101 -4.300 12.436 8.171 785 HB3 ALA 101 HB3 ALA 101 -5.187 12.967 6.743 786 H VAL 102 H VAL 102 -8.071 13.575 8.818 787 HA VAL 102 HA VAL 102 -7.605 11.609 10.955 788 HB VAL 102 HB VAL 102 -9.490 12.427 12.223 789 HG11 VAL 102 HG11 VAL 102 -8.221 13.921 13.283 790 HG12 VAL 102 HG12 VAL 102 -7.064 13.732 11.963 791 HG13 VAL 102 HG13 VAL 102 -8.255 15.032 11.914 792 HG21 VAL 102 HG21 VAL 102 -9.773 14.452 10.010 793 HG22 VAL 102 HG22 VAL 102 -10.938 13.219 10.493 794 HG23 VAL 102 HG23 VAL 102 -10.592 14.574 11.567 795 H HIS 103 H HIS 103 -9.104 9.924 11.089 796 HA HIS 103 HA HIS 103 -10.581 9.455 8.615 797 HB2 HIS 103 HB2 HIS 103 -9.102 7.672 9.329 798 HB3 HIS 103 HB3 HIS 103 -9.876 7.616 10.910 799 HD1 HIS 103 HD1 HIS 103 -10.033 6.167 7.577 800 HD2 HIS 103 HD2 HIS 103 -12.640 6.664 10.774 801 HE1 HIS 103 HE1 HIS 103 -11.925 4.564 7.157 802 H CYS 104 H CYS 104 -12.770 8.896 8.558 803 HA CYS 104 HA CYS 104 -14.327 9.057 11.007 804 HB2 CYS 104 HB2 CYS 104 -14.315 11.150 8.895 805 HB3 CYS 104 HB3 CYS 104 -15.879 10.695 9.561 806 HG CYS 104 HG CYS 104 -15.630 11.826 11.896 807 H VAL 105 H VAL 105 -16.237 7.946 10.909 808 HA VAL 105 HA VAL 105 -16.532 5.980 8.914 809 HB VAL 105 HB VAL 105 -18.946 5.873 10.007 810 HG11 VAL 105 HG11 VAL 105 -16.300 5.016 11.102 811 HG12 VAL 105 HG12 VAL 105 -17.783 4.657 11.987 812 HG13 VAL 105 HG13 VAL 105 -17.565 4.049 10.345 813 HG21 VAL 105 HG21 VAL 105 -19.236 6.930 12.020 814 HG22 VAL 105 HG22 VAL 105 -17.504 7.060 12.328 815 HG23 VAL 105 HG23 VAL 105 -18.277 8.140 11.168 816 H ALA 106 H ALA 106 -19.449 7.683 9.661 817 HA ALA 106 HA ALA 106 -19.740 8.366 6.813 818 HB1 ALA 106 HB1 ALA 106 -21.820 7.571 6.881 819 HB2 ALA 106 HB2 ALA 106 -21.394 6.871 8.443 820 HB3 ALA 106 HB3 ALA 106 -22.190 8.443 8.369 821 H GLY 107 H GLY 107 -19.838 9.619 10.064 822 HA2 GLY 107 HA2 GLY 107 -19.194 12.045 10.124 823 HA3 GLY 107 HA3 GLY 107 -20.503 12.285 8.976 824 H LEU 108 H LEU 108 -22.533 12.590 9.715 825 HA LEU 108 HA LEU 108 -23.866 13.528 11.418 826 HB2 LEU 108 HB2 LEU 108 -23.845 10.553 11.905 827 HB3 LEU 108 HB3 LEU 108 -25.104 11.669 12.430 828 HG LEU 108 HG LEU 108 -24.408 11.168 9.540 829 HD11 LEU 108 HD11 LEU 108 -25.205 9.103 10.531 830 HD12 LEU 108 HD12 LEU 108 -26.437 9.790 9.474 831 HD13 LEU 108 HD13 LEU 108 -26.591 9.946 11.224 832 HD21 LEU 108 HD21 LEU 108 -27.011 12.014 9.718 833 HD22 LEU 108 HD22 LEU 108 -25.628 13.023 9.293 834 HD23 LEU 108 HD23 LEU 108 -26.205 12.974 10.960 835 H GLY 109 H GLY 109 -24.347 11.919 13.896 836 HA2 GLY 109 HA2 GLY 109 -23.595 13.049 15.994 837 HA3 GLY 109 HA3 GLY 109 -22.999 11.401 15.873 838 H ARG 110 H ARG 110 -20.824 11.030 15.352 839 HA ARG 110 HA ARG 110 -18.875 12.385 16.525 840 HB2 ARG 110 HB2 ARG 110 -18.529 11.311 13.721 841 HB3 ARG 110 HB3 ARG 110 -17.274 11.507 14.937 842 HG2 ARG 110 HG2 ARG 110 -19.605 9.606 15.075 843 HG3 ARG 110 HG3 ARG 110 -17.924 9.184 14.743 844 HD2 ARG 110 HD2 ARG 110 -18.063 8.711 16.988 845 HD3 ARG 110 HD3 ARG 110 -17.483 10.376 17.027 846 HE ARG 110 HE ARG 110 -19.442 10.983 18.029 847 HH11 ARG 110 HH11 ARG 110 -19.882 7.890 16.491 848 HH12 ARG 110 HH12 ARG 110 -21.471 7.648 17.137 849 HH21 ARG 110 HH21 ARG 110 -21.533 10.675 18.886 850 HH22 ARG 110 HH22 ARG 110 -22.410 9.234 18.499 851 H ALA 111 H ALA 111 -19.616 13.032 13.093 852 HA ALA 111 HA ALA 111 -18.083 15.065 12.409 853 HB1 ALA 111 HB1 ALA 111 -20.405 16.178 11.582 854 HB2 ALA 111 HB2 ALA 111 -19.613 14.822 10.777 855 HB3 ALA 111 HB3 ALA 111 -20.931 14.526 11.911 856 HA PRO 112 HA PRO 112 -20.338 18.622 14.663 857 HB2 PRO 112 HB2 PRO 112 -22.672 18.098 15.947 858 HB3 PRO 112 HB3 PRO 112 -22.592 18.514 14.231 859 HG2 PRO 112 HG2 PRO 112 -22.843 15.823 15.516 860 HG3 PRO 112 HG3 PRO 112 -23.692 16.470 14.101 861 HD2 PRO 112 HD2 PRO 112 -21.577 14.792 13.890 862 HD3 PRO 112 HD3 PRO 112 -21.917 16.056 12.690 863 H VAL 113 H VAL 113 -20.652 15.495 16.268 864 HA VAL 113 HA VAL 113 -20.540 16.340 18.927 865 HB VAL 113 HB VAL 113 -19.722 13.791 17.570 866 HG11 VAL 113 HG11 VAL 113 -18.143 13.843 19.305 867 HG12 VAL 113 HG12 VAL 113 -19.290 14.554 20.443 868 HG13 VAL 113 HG13 VAL 113 -19.474 12.874 19.937 869 HG21 VAL 113 HG21 VAL 113 -21.558 13.099 19.376 870 HG22 VAL 113 HG22 VAL 113 -22.016 14.788 19.159 871 HG23 VAL 113 HG23 VAL 113 -21.984 13.698 17.773 872 H LEU 114 H LEU 114 -17.845 15.078 16.953 873 HA LEU 114 HA LEU 114 -15.823 15.720 18.784 874 HB2 LEU 114 HB2 LEU 114 -15.836 15.242 15.824 875 HB3 LEU 114 HB3 LEU 114 -14.351 15.662 16.676 876 HG LEU 114 HG LEU 114 -14.341 13.316 16.449 877 HD11 LEU 114 HD11 LEU 114 -13.744 14.196 18.691 878 HD12 LEU 114 HD12 LEU 114 -14.336 12.535 18.717 879 HD13 LEU 114 HD13 LEU 114 -15.392 13.854 19.221 880 HD21 LEU 114 HD21 LEU 114 -16.166 11.869 16.979 881 HD22 LEU 114 HD22 LEU 114 -16.772 13.133 15.909 882 HD23 LEU 114 HD23 LEU 114 -17.107 13.207 17.639 883 H VAL 115 H VAL 115 -16.661 17.415 15.756 884 HA VAL 115 HA VAL 115 -15.004 19.595 16.003 885 HB VAL 115 HB VAL 115 -16.508 20.818 14.559 886 HG11 VAL 115 HG11 VAL 115 -17.106 18.579 13.067 887 HG12 VAL 115 HG12 VAL 115 -15.587 19.476 13.031 888 HG13 VAL 115 HG13 VAL 115 -15.750 18.055 14.064 889 HG21 VAL 115 HG21 VAL 115 -18.726 19.703 13.959 890 HG22 VAL 115 HG22 VAL 115 -18.523 18.774 15.444 891 HG23 VAL 115 HG23 VAL 115 -18.633 20.533 15.512 892 H ALA 116 H ALA 116 -18.095 19.012 17.570 893 HA ALA 116 HA ALA 116 -18.534 21.603 18.574 894 HB1 ALA 116 HB1 ALA 116 -19.937 20.369 20.305 895 HB2 ALA 116 HB2 ALA 116 -20.370 20.141 18.610 896 HB3 ALA 116 HB3 ALA 116 -19.467 18.891 19.465 897 H LEU 117 H LEU 117 -16.932 18.776 20.012 898 HA LEU 117 HA LEU 117 -16.379 19.832 22.521 899 HB2 LEU 117 HB2 LEU 117 -16.031 17.465 21.681 900 HB3 LEU 117 HB3 LEU 117 -14.509 18.034 21.000 901 HG LEU 117 HG LEU 117 -14.320 16.840 23.194 902 HD11 LEU 117 HD11 LEU 117 -12.720 18.612 22.238 903 HD12 LEU 117 HD12 LEU 117 -12.577 18.182 23.942 904 HD13 LEU 117 HD13 LEU 117 -13.394 19.674 23.475 905 HD21 LEU 117 HD21 LEU 117 -16.465 18.209 23.982 906 HD22 LEU 117 HD22 LEU 117 -15.215 19.293 24.594 907 HD23 LEU 117 HD23 LEU 117 -15.254 17.608 25.115 908 H ALA 118 H ALA 118 -14.368 19.925 19.587 909 HA ALA 118 HA ALA 118 -12.297 21.472 20.763 910 HB1 ALA 118 HB1 ALA 118 -11.287 21.467 18.681 911 HB2 ALA 118 HB2 ALA 118 -12.259 19.996 18.633 912 HB3 ALA 118 HB3 ALA 118 -12.826 21.455 17.820 913 H LEU 119 H LEU 119 -15.207 22.265 18.946 914 HA LEU 119 HA LEU 119 -14.680 24.956 18.416 915 HB2 LEU 119 HB2 LEU 119 -16.511 23.972 17.323 916 HB3 LEU 119 HB3 LEU 119 -17.223 23.419 18.837 917 HG LEU 119 HG LEU 119 -17.937 25.630 19.392 918 HD11 LEU 119 HD11 LEU 119 -16.311 27.124 18.782 919 HD12 LEU 119 HD12 LEU 119 -17.514 27.422 17.527 920 HD13 LEU 119 HD13 LEU 119 -16.106 26.418 17.179 921 HD21 LEU 119 HD21 LEU 119 -18.519 25.265 16.461 922 HD22 LEU 119 HD22 LEU 119 -19.535 26.034 17.680 923 HD23 LEU 119 HD23 LEU 119 -19.263 24.291 17.729 924 H ILE 120 H ILE 120 -16.322 23.468 21.196 925 HA ILE 120 HA ILE 120 -16.855 25.872 22.565 926 HB ILE 120 HB ILE 120 -16.826 22.996 23.291 927 HG12 ILE 120 HG12 ILE 120 -19.081 23.532 24.079 928 HG13 ILE 120 HG13 ILE 120 -18.781 25.246 23.815 929 HG21 ILE 120 HG21 ILE 120 -15.628 23.723 25.173 930 HG22 ILE 120 HG22 ILE 120 -16.550 25.221 25.287 931 HG23 ILE 120 HG23 ILE 120 -17.311 23.685 25.697 932 HD11 ILE 120 HD11 ILE 120 -18.664 23.222 21.604 933 HD12 ILE 120 HD12 ILE 120 -20.145 24.064 22.063 934 HD13 ILE 120 HD13 ILE 120 -18.756 24.978 21.476 935 H GLU 121 H GLU 121 -14.193 23.535 22.882 936 HA GLU 121 HA GLU 121 -12.840 24.848 24.961 937 HB2 GLU 121 HB2 GLU 121 -11.660 23.127 22.773 938 HB3 GLU 121 HB3 GLU 121 -10.898 23.513 24.309 939 HG2 GLU 121 HG2 GLU 121 -13.564 22.201 24.336 940 HG3 GLU 121 HG3 GLU 121 -12.145 21.236 23.931 941 H SER 122 H SER 122 -13.206 25.666 21.676 942 HA SER 122 HA SER 122 -10.764 27.136 21.374 943 HB2 SER 122 HB2 SER 122 -11.405 27.407 19.212 944 HB3 SER 122 HB3 SER 122 -12.591 26.164 19.610 945 HG SER 122 HG SER 122 -13.444 28.116 18.607 946 H GLY 123 H GLY 123 -13.841 27.760 22.770 947 HA2 GLY 123 HA2 GLY 123 -13.762 29.730 24.315 948 HA3 GLY 123 HA3 GLY 123 -13.187 30.638 22.925 949 H MET 124 H MET 124 -15.588 28.234 22.368 950 HA MET 124 HA MET 124 -17.559 30.365 21.912 951 HB2 MET 124 HB2 MET 124 -16.690 28.389 20.216 952 HB3 MET 124 HB3 MET 124 -18.175 27.697 20.857 953 HG2 MET 124 HG2 MET 124 -18.925 28.807 18.993 954 HG3 MET 124 HG3 MET 124 -19.209 29.993 20.265 955 HE1 MET 124 HE1 MET 124 -18.611 32.701 19.172 956 HE2 MET 124 HE2 MET 124 -18.186 31.917 20.694 957 HE3 MET 124 HE3 MET 124 -16.955 32.783 19.774 958 H LYS 125 H LYS 125 -19.745 30.051 22.534 959 HA LYS 125 HA LYS 125 -20.041 28.807 25.081 960 HB2 LYS 125 HB2 LYS 125 -22.545 29.484 23.759 961 HB3 LYS 125 HB3 LYS 125 -21.858 30.113 25.251 962 HG2 LYS 125 HG2 LYS 125 -20.318 31.482 23.699 963 HG3 LYS 125 HG3 LYS 125 -21.506 31.100 22.451 964 HD2 LYS 125 HD2 LYS 125 -22.500 32.986 23.192 965 HD3 LYS 125 HD3 LYS 125 -23.138 31.915 24.442 966 HE2 LYS 125 HE2 LYS 125 -20.473 33.038 24.984 967 HE3 LYS 125 HE3 LYS 125 -21.787 34.213 24.932 968 HZ1 LYS 125 HZ1 LYS 125 -21.829 33.572 27.114 969 HZ2 LYS 125 HZ2 LYS 125 -21.369 31.977 26.789 970 HZ3 LYS 125 HZ3 LYS 125 -22.950 32.484 26.463 971 H TYR 126 H TYR 126 -20.897 26.883 25.628 972 HA TYR 126 HA TYR 126 -21.004 24.764 23.864 973 HB2 TYR 126 HB2 TYR 126 -21.002 23.856 25.926 974 HB3 TYR 126 HB3 TYR 126 -21.817 25.246 26.635 975 HD1 TYR 126 HD2 TYR 126 -22.532 22.284 24.476 976 HD2 TYR 126 HD1 TYR 126 -23.975 24.985 27.429 977 HE1 TYR 126 HE2 TYR 126 -24.602 20.968 24.660 978 HE2 TYR 126 HE1 TYR 126 -26.048 23.676 27.623 979 HH TYR 126 HH TYR 126 -26.514 20.860 26.961 980 H GLU 127 H GLU 127 -23.745 26.634 25.157 981 HA GLU 127 HA GLU 127 -25.758 25.293 23.741 982 HB2 GLU 127 HB2 GLU 127 -25.643 28.119 24.800 983 HB3 GLU 127 HB3 GLU 127 -27.096 27.387 24.133 984 HG2 GLU 127 HG2 GLU 127 -26.349 25.527 25.968 985 HG3 GLU 127 HG3 GLU 127 -25.827 27.022 26.743 986 H ASP 128 H ASP 128 -24.178 28.401 22.994 987 HA ASP 128 HA ASP 128 -25.410 28.955 20.594 988 HB2 ASP 128 HB2 ASP 128 -23.466 30.160 22.021 989 HB3 ASP 128 HB3 ASP 128 -22.499 29.506 20.701 990 H ALA 129 H ALA 129 -22.314 27.230 21.004 991 HA ALA 129 HA ALA 129 -21.880 26.567 18.348 992 HB1 ALA 129 HB1 ALA 129 -21.001 25.441 20.948 993 HB2 ALA 129 HB2 ALA 129 -20.741 24.465 19.501 994 HB3 ALA 129 HB3 ALA 129 -20.049 26.084 19.609 995 H ILE 130 H ILE 130 -23.570 24.667 20.840 996 HA ILE 130 HA ILE 130 -24.196 22.436 19.318 997 HB ILE 130 HB ILE 130 -25.720 23.736 21.569 998 HG12 ILE 130 HG12 ILE 130 -24.135 22.752 22.808 999 HG13 ILE 130 HG13 ILE 130 -24.750 21.194 22.267 1000 HG21 ILE 130 HG21 ILE 130 -26.272 21.140 20.148 1001 HG22 ILE 130 HG22 ILE 130 -26.922 21.544 21.736 1002 HG23 ILE 130 HG23 ILE 130 -27.353 22.521 20.333 1003 HD11 ILE 130 HD11 ILE 130 -23.213 21.309 20.338 1004 HD12 ILE 130 HD12 ILE 130 -22.549 22.803 21.000 1005 HD13 ILE 130 HD13 ILE 130 -22.386 21.293 21.895 1006 H GLN 131 H GLN 131 -26.292 25.264 19.912 1007 HA GLN 131 HA GLN 131 -28.400 24.586 18.279 1008 HB2 GLN 131 HB2 GLN 131 -27.223 27.243 19.038 1009 HB3 GLN 131 HB3 GLN 131 -28.609 27.151 17.960 1010 HG2 GLN 131 HG2 GLN 131 -28.695 27.259 20.698 1011 HG3 GLN 131 HG3 GLN 131 -30.012 26.767 19.634 1012 HE21 GLN 131 HE21 GLN 131 -27.654 25.754 21.924 1013 HE22 GLN 131 HE22 GLN 131 -28.161 24.107 22.046 1014 H PHE 132 H PHE 132 -25.268 25.863 17.392 1015 HA PHE 132 HA PHE 132 -25.909 26.573 14.725 1016 HB2 PHE 132 HB2 PHE 132 -23.870 27.297 16.071 1017 HB3 PHE 132 HB3 PHE 132 -23.186 25.717 15.702 1018 HD1 PHE 132 HD1 PHE 132 -25.184 27.993 13.547 1019 HD2 PHE 132 HD2 PHE 132 -21.418 26.147 14.270 1020 HE1 PHE 132 HE1 PHE 132 -24.351 28.860 11.400 1021 HE2 PHE 132 HE2 PHE 132 -20.578 27.012 12.125 1022 HZ PHE 132 HZ PHE 132 -22.044 28.371 10.688 1023 H ILE 133 H ILE 133 -23.912 23.841 15.856 1024 HA ILE 133 HA ILE 133 -24.067 22.448 13.399 1025 HB ILE 133 HB ILE 133 -23.224 20.487 14.737 1026 HG12 ILE 133 HG12 ILE 133 -22.791 22.362 17.022 1027 HG13 ILE 133 HG13 ILE 133 -24.359 21.576 16.870 1028 HG21 ILE 133 HG21 ILE 133 -21.625 22.984 15.230 1029 HG22 ILE 133 HG22 ILE 133 -21.037 21.352 14.916 1030 HG23 ILE 133 HG23 ILE 133 -21.811 22.273 13.627 1031 HD11 ILE 133 HD11 ILE 133 -22.625 20.452 18.339 1032 HD12 ILE 133 HD12 ILE 133 -23.432 19.444 17.138 1033 HD13 ILE 133 HD13 ILE 133 -21.794 20.026 16.844 1034 H ARG 134 H ARG 134 -26.310 22.832 15.898 1035 HA ARG 134 HA ARG 134 -27.652 20.292 15.447 1036 HB2 ARG 134 HB2 ARG 134 -27.523 21.259 17.723 1037 HB3 ARG 134 HB3 ARG 134 -28.469 22.636 17.173 1038 HG2 ARG 134 HG2 ARG 134 -30.411 21.390 16.980 1039 HG3 ARG 134 HG3 ARG 134 -29.537 19.859 16.890 1040 HD2 ARG 134 HD2 ARG 134 -28.965 19.987 19.220 1041 HD3 ARG 134 HD3 ARG 134 -29.642 21.611 19.340 1042 HE ARG 134 HE ARG 134 -31.544 19.638 18.484 1043 HH11 ARG 134 HH11 ARG 134 -30.021 21.134 21.234 1044 HH12 ARG 134 HH12 ARG 134 -31.320 20.765 22.319 1045 HH21 ARG 134 HH21 ARG 134 -33.261 19.146 19.902 1046 HH22 ARG 134 HH22 ARG 134 -33.162 19.633 21.561 1047 H GLN 135 H GLN 135 -28.204 23.742 14.872 1048 HA GLN 135 HA GLN 135 -30.762 23.377 13.666 1049 HB2 GLN 135 HB2 GLN 135 -30.715 25.694 13.204 1050 HB3 GLN 135 HB3 GLN 135 -29.875 25.504 14.737 1051 HG2 GLN 135 HG2 GLN 135 -27.737 25.701 13.631 1052 HG3 GLN 135 HG3 GLN 135 -28.531 25.785 12.060 1053 HE21 GLN 135 HE21 GLN 135 -26.919 27.765 12.459 1054 HE22 GLN 135 HE22 GLN 135 -27.734 29.222 12.904 1055 H LYS 136 H LYS 136 -27.481 23.305 12.529 1056 HA LYS 136 HA LYS 136 -27.820 23.801 9.817 1057 HB2 LYS 136 HB2 LYS 136 -25.747 22.651 9.471 1058 HB3 LYS 136 HB3 LYS 136 -25.637 23.501 11.007 1059 HG2 LYS 136 HG2 LYS 136 -25.192 21.616 12.077 1060 HG3 LYS 136 HG3 LYS 136 -26.646 20.852 11.431 1061 HD2 LYS 136 HD2 LYS 136 -24.631 19.605 10.818 1062 HD3 LYS 136 HD3 LYS 136 -25.441 20.260 9.393 1063 HE2 LYS 136 HE2 LYS 136 -23.587 22.199 10.323 1064 HE3 LYS 136 HE3 LYS 136 -22.757 20.645 10.252 1065 HZ1 LYS 136 HZ1 LYS 136 -24.223 20.795 7.933 1066 HZ2 LYS 136 HZ2 LYS 136 -22.550 20.995 8.086 1067 HZ3 LYS 136 HZ3 LYS 136 -23.571 22.344 8.124 1068 H ARG 137 H ARG 137 -28.883 21.140 11.703 1069 HA ARG 137 HA ARG 137 -30.079 19.931 9.348 1070 HB2 ARG 137 HB2 ARG 137 -28.000 18.725 9.431 1071 HB3 ARG 137 HB3 ARG 137 -28.172 18.449 11.160 1072 HG2 ARG 137 HG2 ARG 137 -29.585 16.714 10.881 1073 HG3 ARG 137 HG3 ARG 137 -30.353 17.426 9.461 1074 HD2 ARG 137 HD2 ARG 137 -27.697 16.875 8.730 1075 HD3 ARG 137 HD3 ARG 137 -28.268 15.459 9.610 1076 HE ARG 137 HE ARG 137 -29.708 14.998 7.881 1077 HH11 ARG 137 HH11 ARG 137 -28.431 18.215 7.509 1078 HH12 ARG 137 HH12 ARG 137 -29.071 18.425 5.913 1079 HH21 ARG 137 HH21 ARG 137 -30.556 15.262 5.781 1080 HH22 ARG 137 HH22 ARG 137 -30.281 16.746 4.931 1081 H ARG 138 H ARG 138 -29.543 18.406 12.477 1082 HA ARG 138 HA ARG 138 -31.736 19.209 13.907 1083 HB2 ARG 138 HB2 ARG 138 -32.517 17.642 11.624 1084 HB3 ARG 138 HB3 ARG 138 -32.929 16.783 13.102 1085 HG2 ARG 138 HG2 ARG 138 -34.543 18.244 13.659 1086 HG3 ARG 138 HG3 ARG 138 -33.632 19.637 13.070 1087 HD2 ARG 138 HD2 ARG 138 -34.384 17.927 10.883 1088 HD3 ARG 138 HD3 ARG 138 -35.802 18.363 11.836 1089 HE ARG 138 HE ARG 138 -34.484 20.720 11.476 1090 HH11 ARG 138 HH11 ARG 138 -35.697 18.242 9.353 1091 HH12 ARG 138 HH12 ARG 138 -36.008 19.334 8.044 1092 HH21 ARG 138 HH21 ARG 138 -34.889 22.167 9.760 1093 HH22 ARG 138 HH22 ARG 138 -35.547 21.566 8.276 1094 H GLY 139 H GLY 139 -31.158 18.557 15.866 1095 HA2 GLY 139 HA2 GLY 139 -30.149 17.327 17.532 1096 HA3 GLY 139 HA3 GLY 139 -31.042 15.995 16.813 1097 H ALA 140 H ALA 140 -28.130 17.909 16.042 1098 HA ALA 140 HA ALA 140 -26.850 15.591 14.888 1099 HB1 ALA 140 HB1 ALA 140 -25.843 17.183 13.716 1100 HB2 ALA 140 HB2 ALA 140 -26.496 18.433 14.776 1101 HB3 ALA 140 HB3 ALA 140 -24.965 17.652 15.172 1102 H ILE 141 H ILE 141 -25.946 17.843 17.508 1103 HA ILE 141 HA ILE 141 -24.190 15.796 18.627 1104 HB ILE 141 HB ILE 141 -23.243 18.019 18.439 1105 HG12 ILE 141 HG12 ILE 141 -23.814 17.583 21.367 1106 HG13 ILE 141 HG13 ILE 141 -22.776 16.497 20.449 1107 HG21 ILE 141 HG21 ILE 141 -24.330 19.708 20.194 1108 HG22 ILE 141 HG22 ILE 141 -24.838 19.628 18.508 1109 HG23 ILE 141 HG23 ILE 141 -25.776 18.801 19.752 1110 HD11 ILE 141 HD11 ILE 141 -22.204 19.409 20.358 1111 HD12 ILE 141 HD12 ILE 141 -21.792 18.506 21.817 1112 HD13 ILE 141 HD13 ILE 141 -21.105 18.034 20.263 1113 H ASN 142 H ASN 142 -27.283 17.195 19.134 1114 HA ASN 142 HA ASN 142 -27.851 17.168 21.744 1115 HB2 ASN 142 HB2 ASN 142 -29.621 17.518 20.175 1116 HB3 ASN 142 HB3 ASN 142 -29.455 15.888 19.528 1117 HD21 ASN 142 HD21 ASN 142 -30.517 17.791 22.258 1118 HD22 ASN 142 HD22 ASN 142 -31.544 16.584 22.946 1119 H SER 143 H SER 143 -28.534 15.642 23.322 1120 HA SER 143 HA SER 143 -28.877 13.369 24.029 1121 HB2 SER 143 HB2 SER 143 -28.205 12.556 21.723 1122 HB3 SER 143 HB3 SER 143 -26.529 12.663 22.261 1123 HG SER 143 HG SER 143 -28.589 11.039 23.339 1124 H LYS 144 H LYS 144 -26.565 11.779 24.620 1125 HA LYS 144 HA LYS 144 -25.732 12.745 27.017 1126 HB2 LYS 144 HB2 LYS 144 -24.045 11.131 25.095 1127 HB3 LYS 144 HB3 LYS 144 -23.764 11.278 26.825 1128 HG2 LYS 144 HG2 LYS 144 -25.434 9.849 27.360 1129 HG3 LYS 144 HG3 LYS 144 -26.436 10.329 25.988 1130 HD2 LYS 144 HD2 LYS 144 -23.924 8.677 25.746 1131 HD3 LYS 144 HD3 LYS 144 -25.547 7.993 25.864 1132 HE2 LYS 144 HE2 LYS 144 -25.327 10.069 23.832 1133 HE3 LYS 144 HE3 LYS 144 -24.247 8.707 23.541 1134 HZ1 LYS 144 HZ1 LYS 144 -26.768 8.740 22.748 1135 HZ2 LYS 144 HZ2 LYS 144 -26.986 8.056 24.279 1136 HZ3 LYS 144 HZ3 LYS 144 -25.960 7.312 23.159 1137 H GLN 145 H GLN 145 -24.472 13.596 23.860 1138 HA GLN 145 HA GLN 145 -22.108 14.868 24.613 1139 HB2 GLN 145 HB2 GLN 145 -23.844 15.902 22.389 1140 HB3 GLN 145 HB3 GLN 145 -22.088 15.841 22.477 1141 HG2 GLN 145 HG2 GLN 145 -24.006 13.589 21.984 1142 HG3 GLN 145 HG3 GLN 145 -22.722 14.188 20.936 1143 HE21 GLN 145 HE21 GLN 145 -23.330 11.511 22.142 1144 HE22 GLN 145 HE22 GLN 145 -21.856 11.033 22.905 1145 H LEU 146 H LEU 146 -25.281 16.377 23.982 1146 HA LEU 146 HA LEU 146 -24.640 18.957 24.755 1147 HB2 LEU 146 HB2 LEU 146 -27.089 17.389 24.423 1148 HB3 LEU 146 HB3 LEU 146 -27.240 18.722 25.565 1149 HG LEU 146 HG LEU 146 -26.659 20.319 23.867 1150 HD11 LEU 146 HD11 LEU 146 -26.374 19.469 21.487 1151 HD12 LEU 146 HD12 LEU 146 -26.067 17.888 22.206 1152 HD13 LEU 146 HD13 LEU 146 -25.011 19.249 22.585 1153 HD21 LEU 146 HD21 LEU 146 -28.892 20.141 23.615 1154 HD22 LEU 146 HD22 LEU 146 -28.842 18.387 23.431 1155 HD23 LEU 146 HD23 LEU 146 -28.452 19.430 22.062 1156 H THR 147 H THR 147 -25.958 16.324 26.747 1157 HA THR 147 HA THR 147 -26.094 17.771 29.154 1158 HB THR 147 HB THR 147 -26.310 15.653 30.281 1159 HG1 THR 147 HG1 THR 147 -25.968 13.698 28.951 1160 HG21 THR 147 HG21 THR 147 -28.118 14.631 29.005 1161 HG22 THR 147 HG22 THR 147 -27.586 15.471 27.548 1162 HG23 THR 147 HG23 THR 147 -28.220 16.388 28.914 1163 H TYR 148 H TYR 148 -23.490 15.966 27.635 1164 HA TYR 148 HA TYR 148 -21.733 15.785 29.796 1165 HB2 TYR 148 HB2 TYR 148 -21.180 14.532 27.877 1166 HB3 TYR 148 HB3 TYR 148 -21.294 15.935 26.821 1167 HD1 TYR 148 HD2 TYR 148 -19.429 15.336 30.005 1168 HD2 TYR 148 HD1 TYR 148 -19.224 16.320 25.870 1169 HE1 TYR 148 HE2 TYR 148 -17.003 15.683 30.213 1170 HE2 TYR 148 HE1 TYR 148 -16.797 16.668 26.067 1171 HH TYR 148 HH TYR 148 -15.205 17.331 28.256 1172 H LEU 149 H LEU 149 -21.760 18.235 27.201 1173 HA LEU 149 HA LEU 149 -19.829 19.895 28.434 1174 HB2 LEU 149 HB2 LEU 149 -21.049 19.781 25.980 1175 HB3 LEU 149 HB3 LEU 149 -21.730 21.250 26.678 1176 HG LEU 149 HG LEU 149 -19.812 21.794 25.316 1177 HD11 LEU 149 HD11 LEU 149 -18.620 22.122 27.994 1178 HD12 LEU 149 HD12 LEU 149 -20.262 22.732 27.789 1179 HD13 LEU 149 HD13 LEU 149 -18.967 23.320 26.746 1180 HD21 LEU 149 HD21 LEU 149 -18.271 20.180 25.126 1181 HD22 LEU 149 HD22 LEU 149 -18.652 19.494 26.706 1182 HD23 LEU 149 HD23 LEU 149 -17.574 20.885 26.585 1183 H GLU 150 H GLU 150 -23.251 19.554 28.816 1184 HA GLU 150 HA GLU 150 -23.924 22.066 29.837 1185 HB2 GLU 150 HB2 GLU 150 -25.391 19.964 29.259 1186 HB3 GLU 150 HB3 GLU 150 -25.160 19.582 30.960 1187 HG2 GLU 150 HG2 GLU 150 -26.122 22.290 30.155 1188 HG3 GLU 150 HG3 GLU 150 -27.240 20.929 30.208 1189 H LYS 151 H LYS 151 -22.773 19.155 31.512 1190 HA LYS 151 HA LYS 151 -22.602 20.614 34.026 1191 HB2 LYS 151 HB2 LYS 151 -22.501 17.766 33.204 1192 HB3 LYS 151 HB3 LYS 151 -21.558 18.206 34.622 1193 HG2 LYS 151 HG2 LYS 151 -23.552 19.107 35.687 1194 HG3 LYS 151 HG3 LYS 151 -24.505 18.708 34.257 1195 HD2 LYS 151 HD2 LYS 151 -22.973 16.456 35.326 1196 HD3 LYS 151 HD3 LYS 151 -24.178 17.096 36.446 1197 HE2 LYS 151 HE2 LYS 151 -25.287 15.430 35.202 1198 HE3 LYS 151 HE3 LYS 151 -25.826 16.965 34.524 1199 HZ1 LYS 151 HZ1 LYS 151 -25.330 15.539 32.724 1200 HZ2 LYS 151 HZ2 LYS 151 -23.839 15.086 33.381 1201 HZ3 LYS 151 HZ3 LYS 151 -24.064 16.658 32.798 1202 H TYR 152 H TYR 152 -20.557 19.464 31.465 1203 HA TYR 152 HA TYR 152 -18.088 19.557 32.844 1204 HB2 TYR 152 HB2 TYR 152 -18.472 18.382 30.672 1205 HB3 TYR 152 HB3 TYR 152 -18.560 19.953 29.884 1206 HD1 TYR 152 HD2 TYR 152 -16.558 21.322 29.610 1207 HD2 TYR 152 HD1 TYR 152 -16.358 17.482 31.431 1208 HE1 TYR 152 HE2 TYR 152 -14.114 21.322 29.327 1209 HE2 TYR 152 HE1 TYR 152 -13.914 17.472 31.156 1210 HH TYR 152 HH TYR 152 -12.282 19.555 29.148 1211 H ARG 153 H ARG 153 -16.447 21.131 32.789 1212 HA ARG 153 HA ARG 153 -17.400 23.856 32.192 1213 HB2 ARG 153 HB2 ARG 153 -17.195 23.779 34.530 1214 HB3 ARG 153 HB3 ARG 153 -15.733 22.803 34.460 1215 HG2 ARG 153 HG2 ARG 153 -15.637 25.518 33.271 1216 HG3 ARG 153 HG3 ARG 153 -15.680 25.383 35.030 1217 HD2 ARG 153 HD2 ARG 153 -13.821 23.477 34.159 1218 HD3 ARG 153 HD3 ARG 153 -13.498 24.928 33.212 1219 HE ARG 153 HE ARG 153 -12.712 25.942 35.105 1220 HH11 ARG 153 HH11 ARG 153 -14.557 23.130 36.004 1221 HH12 ARG 153 HH12 ARG 153 -14.123 23.220 37.679 1222 HH21 ARG 153 HH21 ARG 153 -12.134 26.071 37.308 1223 HH22 ARG 153 HH22 ARG 153 -12.745 24.894 38.420 1224 HA PRO 154 HA PRO 154 -14.044 24.011 29.313 1225 HB2 PRO 154 HB2 PRO 154 -14.120 26.683 28.841 1226 HB3 PRO 154 HB3 PRO 154 -15.307 25.556 28.175 1227 HG2 PRO 154 HG2 PRO 154 -15.524 27.338 30.570 1228 HG3 PRO 154 HG3 PRO 154 -16.723 27.015 29.305 1229 HD2 PRO 154 HD2 PRO 154 -16.811 25.822 31.734 1230 HD3 PRO 154 HD3 PRO 154 -17.372 25.017 30.254 1231 H LYS 155 H LYS 155 -12.061 23.701 30.138 1232 HA LYS 155 HA LYS 155 -11.007 25.400 32.225 1233 HB2 LYS 155 HB2 LYS 155 -9.147 23.896 32.292 1234 HB3 LYS 155 HB3 LYS 155 -10.604 22.927 32.126 1235 HG2 LYS 155 HG2 LYS 155 -10.138 22.852 29.653 1236 HG3 LYS 155 HG3 LYS 155 -8.566 23.570 30.014 1237 HD2 LYS 155 HD2 LYS 155 -7.754 21.571 30.547 1238 HD3 LYS 155 HD3 LYS 155 -9.001 21.371 31.780 1239 HE2 LYS 155 HE2 LYS 155 -10.474 20.814 29.639 1240 HE3 LYS 155 HE3 LYS 155 -8.899 20.367 28.987 1241 HZ1 LYS 155 HZ1 LYS 155 -10.453 18.730 30.420 1242 HZ2 LYS 155 HZ2 LYS 155 -9.460 19.353 31.639 1243 HZ3 LYS 155 HZ3 LYS 155 -8.772 18.574 30.304 1244 H GLN 156 H GLN 156 -11.377 25.910 29.066 1245 HA GLN 156 HA GLN 156 -10.426 27.287 27.527 1246 HB2 GLN 156 HB2 GLN 156 -8.691 28.355 29.747 1247 HB3 GLN 156 HB3 GLN 156 -9.243 29.193 28.303 1248 HG2 GLN 156 HG2 GLN 156 -11.523 29.175 29.140 1249 HG3 GLN 156 HG3 GLN 156 -11.002 28.288 30.571 1250 HE21 GLN 156 HE21 GLN 156 -12.008 31.164 29.712 1251 HE22 GLN 156 HE22 GLN 156 -11.072 32.184 30.746 1252 H ARG 157 H ARG 157 -9.469 25.099 26.897 1253 HA ARG 157 HA ARG 157 -6.601 24.883 27.319 1254 HB2 ARG 157 HB2 ARG 157 -8.316 22.933 27.250 1255 HB3 ARG 157 HB3 ARG 157 -8.204 23.109 25.504 1256 HG2 ARG 157 HG2 ARG 157 -6.418 21.808 25.529 1257 HG3 ARG 157 HG3 ARG 157 -5.564 23.044 26.454 1258 HD2 ARG 157 HD2 ARG 157 -6.823 21.978 28.480 1259 HD3 ARG 157 HD3 ARG 157 -6.968 20.587 27.407 1260 HE ARG 157 HE ARG 157 -4.291 21.559 27.541 1261 HH11 ARG 157 HH11 ARG 157 -6.661 19.635 29.214 1262 HH12 ARG 157 HH12 ARG 157 -5.484 18.667 30.039 1263 HH21 ARG 157 HH21 ARG 157 -2.732 20.292 28.621 1264 HH22 ARG 157 HH22 ARG 157 -3.249 19.042 29.701 1265 H LEU 158 H LEU 158 -8.766 24.968 24.482 1266 HA LEU 158 HA LEU 158 -6.610 25.558 22.690 1267 HB2 LEU 158 HB2 LEU 158 -9.433 24.931 22.511 1268 HB3 LEU 158 HB3 LEU 158 -8.977 26.218 21.397 1269 HG LEU 158 HG LEU 158 -8.942 23.881 20.459 1270 HD11 LEU 158 HD11 LEU 158 -6.371 24.335 19.713 1271 HD12 LEU 158 HD12 LEU 158 -6.851 25.928 20.297 1272 HD13 LEU 158 HD13 LEU 158 -7.777 25.141 19.019 1273 HD21 LEU 158 HD21 LEU 158 -6.454 23.630 22.144 1274 HD22 LEU 158 HD22 LEU 158 -7.082 22.447 20.997 1275 HD23 LEU 158 HD23 LEU 158 -7.980 22.809 22.472 1276 H ARG 159 H ARG 159 -8.810 27.409 24.603 1277 HA ARG 159 HA ARG 159 -7.440 29.814 24.280 1278 HB2 ARG 159 HB2 ARG 159 -9.285 29.249 22.144 1279 HB3 ARG 159 HB3 ARG 159 -9.825 30.660 23.042 1280 HG2 ARG 159 HG2 ARG 159 -7.042 30.339 21.948 1281 HG3 ARG 159 HG3 ARG 159 -8.352 31.156 21.095 1282 HD2 ARG 159 HD2 ARG 159 -8.518 32.822 22.792 1283 HD3 ARG 159 HD3 ARG 159 -7.431 31.929 23.855 1284 HE ARG 159 HE ARG 159 -6.262 32.694 21.335 1285 HH11 ARG 159 HH11 ARG 159 -6.881 33.633 24.630 1286 HH12 ARG 159 HH12 ARG 159 -5.574 34.769 24.689 1287 HH21 ARG 159 HH21 ARG 159 -4.538 34.186 21.401 1288 HH22 ARG 159 HH22 ARG 159 -4.242 35.083 22.852 1289 H PHE 160 H PHE 160 -9.177 31.746 24.798 1290 HA PHE 160 HA PHE 160 -10.221 31.000 27.381 1291 HB2 PHE 160 HB2 PHE 160 -9.426 33.442 26.050 1292 HB3 PHE 160 HB3 PHE 160 -10.995 33.638 26.823 1293 HD1 PHE 160 HD1 PHE 160 -7.993 31.679 27.833 1294 HD2 PHE 160 HD2 PHE 160 -10.667 34.863 28.746 1295 HE1 PHE 160 HE1 PHE 160 -6.879 31.987 30.005 1296 HE2 PHE 160 HE2 PHE 160 -9.556 35.176 30.919 1297 HZ PHE 160 HZ PHE 160 -7.659 33.739 31.551 1298 H LYS 161 H LYS 161 -12.226 30.363 27.777 1299 HA LYS 161 HA LYS 161 -14.308 30.954 25.780 1300 HB2 LYS 161 HB2 LYS 161 -13.608 28.520 26.323 1301 HB3 LYS 161 HB3 LYS 161 -14.494 28.758 27.823 1302 HG2 LYS 161 HG2 LYS 161 -15.972 29.536 25.421 1303 HG3 LYS 161 HG3 LYS 161 -15.561 27.822 25.506 1304 HD2 LYS 161 HD2 LYS 161 -16.448 28.550 28.073 1305 HD3 LYS 161 HD3 LYS 161 -17.580 29.282 26.933 1306 HE2 LYS 161 HE2 LYS 161 -17.468 26.904 25.812 1307 HE3 LYS 161 HE3 LYS 161 -16.959 26.408 27.425 1308 HZ1 LYS 161 HZ1 LYS 161 -19.449 26.390 26.840 1309 HZ2 LYS 161 HZ2 LYS 161 -19.371 28.063 27.076 1310 HZ3 LYS 161 HZ3 LYS 161 -18.974 27.012 28.340 1311 H ASP 162 H ASP 162 -16.563 31.012 26.736 1312 HA ASP 162 HA ASP 162 -16.889 33.152 28.417 1313 HB2 ASP 162 HB2 ASP 162 -18.693 32.165 27.045 1314 HB3 ASP 162 HB3 ASP 162 -18.776 30.800 28.156 Start of MODEL 12 1 H1 MET 1 H MET 1 -0.098 -2.241 -1.997 2 HA MET 1 HA MET 1 0.744 0.324 -1.189 3 HB2 MET 1 HB2 MET 1 2.321 -1.808 -0.162 4 HB3 MET 1 HB3 MET 1 3.269 -0.993 -1.399 5 HG2 MET 1 HG2 MET 1 3.673 0.728 -0.067 6 HG3 MET 1 HG3 MET 1 1.963 0.914 0.317 7 HE1 MET 1 HE1 MET 1 4.967 -1.807 2.395 8 HE2 MET 1 HE2 MET 1 5.031 -1.138 0.765 9 HE3 MET 1 HE3 MET 1 5.446 -0.128 2.150 10 H ALA 2 H ALA 2 2.700 1.037 -2.669 11 HA ALA 2 HA ALA 2 3.404 1.477 -4.788 12 HB1 ALA 2 HB1 ALA 2 3.344 -0.668 -6.328 13 HB2 ALA 2 HB2 ALA 2 4.523 -0.498 -5.027 14 HB3 ALA 2 HB3 ALA 2 3.076 -1.477 -4.784 15 H ARG 3 H ARG 3 1.124 2.587 -4.583 16 HA ARG 3 HA ARG 3 -0.281 1.954 -7.068 17 HB2 ARG 3 HB2 ARG 3 -1.779 2.517 -4.508 18 HB3 ARG 3 HB3 ARG 3 -2.455 2.058 -6.065 19 HG2 ARG 3 HG2 ARG 3 -0.644 0.282 -4.449 20 HG3 ARG 3 HG3 ARG 3 -2.406 0.243 -4.351 21 HD2 ARG 3 HD2 ARG 3 -2.638 -0.688 -6.423 22 HD3 ARG 3 HD3 ARG 3 -1.164 0.057 -7.041 23 HE ARG 3 HE ARG 3 -0.218 -1.715 -5.249 24 HH11 ARG 3 HH11 ARG 3 -2.493 -1.998 -7.869 25 HH12 ARG 3 HH12 ARG 3 -2.108 -3.655 -8.197 26 HH21 ARG 3 HH21 ARG 3 0.298 -3.897 -5.671 27 HH22 ARG 3 HH22 ARG 3 -0.521 -4.734 -6.946 28 H MET 4 H MET 4 -1.280 3.721 -8.057 29 HA MET 4 HA MET 4 -0.319 6.312 -7.103 30 HB2 MET 4 HB2 MET 4 -1.052 5.173 -9.737 31 HB3 MET 4 HB3 MET 4 -1.420 6.876 -9.500 32 HG2 MET 4 HG2 MET 4 0.754 6.569 -10.541 33 HG3 MET 4 HG3 MET 4 0.900 7.326 -8.957 34 HE1 MET 4 HE1 MET 4 1.910 3.176 -10.332 35 HE2 MET 4 HE2 MET 4 0.655 3.045 -9.100 36 HE3 MET 4 HE3 MET 4 0.382 4.034 -10.535 37 H ASN 5 H ASN 5 -3.251 5.448 -8.918 38 HA ASN 5 HA ASN 5 -5.403 6.171 -8.736 39 HB2 ASN 5 HB2 ASN 5 -4.766 4.857 -6.423 40 HB3 ASN 5 HB3 ASN 5 -5.351 6.398 -5.802 41 HD21 ASN 5 HD21 ASN 5 -6.708 4.147 -5.204 42 HD22 ASN 5 HD22 ASN 5 -8.212 4.105 -6.053 43 H ARG 6 H ARG 6 -6.772 7.821 -7.080 44 HA ARG 6 HA ARG 6 -5.297 10.253 -6.597 45 HB2 ARG 6 HB2 ARG 6 -6.743 11.610 -8.126 46 HB3 ARG 6 HB3 ARG 6 -5.617 10.542 -8.952 47 HG2 ARG 6 HG2 ARG 6 -8.369 9.555 -8.424 48 HG3 ARG 6 HG3 ARG 6 -8.126 10.745 -9.705 49 HD2 ARG 6 HD2 ARG 6 -7.231 9.224 -11.067 50 HD3 ARG 6 HD3 ARG 6 -6.149 8.632 -9.807 51 HE ARG 6 HE ARG 6 -8.686 7.649 -9.244 52 HH11 ARG 6 HH11 ARG 6 -6.281 7.360 -11.744 53 HH12 ARG 6 HH12 ARG 6 -6.740 5.748 -12.181 54 HH21 ARG 6 HH21 ARG 6 -9.300 5.526 -9.809 55 HH22 ARG 6 HH22 ARG 6 -8.458 4.706 -11.080 56 HA PRO 7 HA PRO 7 -9.087 9.452 -3.985 57 HB2 PRO 7 HB2 PRO 7 -7.787 9.570 -1.605 58 HB3 PRO 7 HB3 PRO 7 -7.948 8.078 -2.539 59 HG2 PRO 7 HG2 PRO 7 -5.629 9.964 -2.367 60 HG3 PRO 7 HG3 PRO 7 -5.633 8.190 -2.351 61 HD2 PRO 7 HD2 PRO 7 -5.034 9.626 -4.567 62 HD3 PRO 7 HD3 PRO 7 -5.838 8.045 -4.642 63 H ALA 8 H ALA 8 -10.283 11.215 -3.686 64 HA ALA 8 HA ALA 8 -8.946 13.731 -2.953 65 HB1 ALA 8 HB1 ALA 8 -10.443 14.883 -4.214 66 HB2 ALA 8 HB2 ALA 8 -10.496 13.348 -5.080 67 HB3 ALA 8 HB3 ALA 8 -11.752 13.742 -3.906 68 HA PRO 9 HA PRO 9 -11.032 12.712 0.967 69 HB2 PRO 9 HB2 PRO 9 -9.364 14.224 2.483 70 HB3 PRO 9 HB3 PRO 9 -8.967 12.582 1.964 71 HG2 PRO 9 HG2 PRO 9 -8.094 15.198 0.801 72 HG3 PRO 9 HG3 PRO 9 -7.141 13.733 1.098 73 HD2 PRO 9 HD2 PRO 9 -8.094 14.380 -1.353 74 HD3 PRO 9 HD3 PRO 9 -7.903 12.698 -0.816 75 H VAL 10 H VAL 10 -11.207 14.591 2.912 76 HA VAL 10 HA VAL 10 -12.423 16.935 1.604 77 HB VAL 10 HB VAL 10 -13.588 15.173 3.741 78 HG11 VAL 10 HG11 VAL 10 -13.757 17.339 4.709 79 HG12 VAL 10 HG12 VAL 10 -14.255 18.055 3.175 80 HG13 VAL 10 HG13 VAL 10 -15.336 16.953 4.028 81 HG21 VAL 10 HG21 VAL 10 -13.998 15.181 1.093 82 HG22 VAL 10 HG22 VAL 10 -15.250 14.755 2.259 83 HG23 VAL 10 HG23 VAL 10 -15.198 16.379 1.575 84 H GLU 11 H GLU 11 -11.301 18.667 2.193 85 HA GLU 11 HA GLU 11 -9.977 18.731 4.794 86 HB2 GLU 11 HB2 GLU 11 -8.479 19.434 3.164 87 HB3 GLU 11 HB3 GLU 11 -9.713 20.297 2.258 88 HG2 GLU 11 HG2 GLU 11 -9.148 21.310 4.966 89 HG3 GLU 11 HG3 GLU 11 -7.863 21.501 3.775 90 H VAL 12 H VAL 12 -10.872 19.700 6.479 91 HA VAL 12 HA VAL 12 -13.005 21.674 6.003 92 HB VAL 12 HB VAL 12 -13.916 19.877 7.236 93 HG11 VAL 12 HG11 VAL 12 -11.532 20.059 9.076 94 HG12 VAL 12 HG12 VAL 12 -12.900 18.960 9.262 95 HG13 VAL 12 HG13 VAL 12 -11.821 18.800 7.876 96 HG21 VAL 12 HG21 VAL 12 -13.170 21.846 9.382 97 HG22 VAL 12 HG22 VAL 12 -14.316 22.230 8.097 98 HG23 VAL 12 HG23 VAL 12 -14.659 20.915 9.221 99 H SER 13 H SER 13 -12.140 23.657 6.063 100 HA SER 13 HA SER 13 -9.998 24.278 7.931 101 HB2 SER 13 HB2 SER 13 -9.410 25.843 6.431 102 HB3 SER 13 HB3 SER 13 -10.663 25.188 5.376 103 HG SER 13 HG SER 13 -12.113 26.689 6.262 104 H TYR 14 H TYR 14 -10.375 25.044 9.893 105 HA TYR 14 HA TYR 14 -13.022 26.104 10.533 106 HB2 TYR 14 HB2 TYR 14 -11.382 24.365 11.882 107 HB3 TYR 14 HB3 TYR 14 -11.074 25.883 12.718 108 HD1 TYR 14 HD2 TYR 14 -14.135 24.279 11.280 109 HD2 TYR 14 HD1 TYR 14 -12.262 26.013 14.684 110 HE1 TYR 14 HE2 TYR 14 -16.212 23.987 12.564 111 HE2 TYR 14 HE1 TYR 14 -14.334 25.726 15.978 112 HH TYR 14 HH TYR 14 -16.637 23.760 15.347 113 H LYS 15 H LYS 15 -12.313 27.630 12.779 114 HA LYS 15 HA LYS 15 -11.936 30.153 11.679 115 HB2 LYS 15 HB2 LYS 15 -11.529 30.911 14.005 116 HB3 LYS 15 HB3 LYS 15 -12.940 29.870 13.862 117 HG2 LYS 15 HG2 LYS 15 -11.291 27.976 14.514 118 HG3 LYS 15 HG3 LYS 15 -10.289 29.301 15.111 119 HD2 LYS 15 HD2 LYS 15 -11.605 28.535 16.941 120 HD3 LYS 15 HD3 LYS 15 -12.280 30.083 16.428 121 HE2 LYS 15 HE2 LYS 15 -13.574 28.065 14.931 122 HE3 LYS 15 HE3 LYS 15 -13.555 27.533 16.611 123 HZ1 LYS 15 HZ1 LYS 15 -15.352 28.825 16.794 124 HZ2 LYS 15 HZ2 LYS 15 -15.016 29.694 15.383 125 HZ3 LYS 15 HZ3 LYS 15 -14.262 30.119 16.837 126 H HIS 16 H HIS 16 -9.577 28.085 13.356 127 HA HIS 16 HA HIS 16 -7.438 29.431 11.886 128 HB2 HIS 16 HB2 HIS 16 -7.724 29.323 14.866 129 HB3 HIS 16 HB3 HIS 16 -6.115 29.288 14.151 130 HD1 HIS 16 HD1 HIS 16 -6.423 31.340 11.922 131 HD2 HIS 16 HD2 HIS 16 -7.924 31.876 15.759 132 HE1 HIS 16 HE1 HIS 16 -6.651 33.828 12.214 133 H MET 17 H MET 17 -8.759 26.789 11.793 134 HA MET 17 HA MET 17 -6.325 25.177 11.979 135 HB2 MET 17 HB2 MET 17 -8.944 24.014 12.879 136 HB3 MET 17 HB3 MET 17 -7.317 23.412 13.165 137 HG2 MET 17 HG2 MET 17 -8.260 26.010 14.320 138 HG3 MET 17 HG3 MET 17 -8.565 24.469 15.119 139 HE1 MET 17 HE1 MET 17 -7.328 26.566 16.666 140 HE2 MET 17 HE2 MET 17 -5.580 26.547 16.898 141 HE3 MET 17 HE3 MET 17 -6.278 27.406 15.524 142 H ARG 18 H ARG 18 -6.865 22.898 10.969 143 HA ARG 18 HA ARG 18 -8.852 22.868 8.912 144 HB2 ARG 18 HB2 ARG 18 -6.916 24.373 8.067 145 HB3 ARG 18 HB3 ARG 18 -6.027 22.866 7.891 146 HG2 ARG 18 HG2 ARG 18 -7.530 22.049 6.272 147 HG3 ARG 18 HG3 ARG 18 -8.719 23.302 6.636 148 HD2 ARG 18 HD2 ARG 18 -6.022 23.680 5.343 149 HD3 ARG 18 HD3 ARG 18 -7.598 23.833 4.567 150 HE ARG 18 HE ARG 18 -7.509 25.615 6.716 151 HH11 ARG 18 HH11 ARG 18 -5.987 25.127 3.623 152 HH12 ARG 18 HH12 ARG 18 -5.683 26.812 3.361 153 HH21 ARG 18 HH21 ARG 18 -7.113 27.836 6.382 154 HH22 ARG 18 HH22 ARG 18 -6.323 28.352 4.931 155 H PHE 19 H PHE 19 -9.500 20.834 9.167 156 HA PHE 19 HA PHE 19 -7.482 18.736 9.559 157 HB2 PHE 19 HB2 PHE 19 -10.434 18.834 10.181 158 HB3 PHE 19 HB3 PHE 19 -9.489 17.350 10.262 159 HD1 PHE 19 HD1 PHE 19 -8.499 20.779 11.280 160 HD2 PHE 19 HD2 PHE 19 -9.480 16.829 12.527 161 HE1 PHE 19 HE1 PHE 19 -7.822 21.340 13.578 162 HE2 PHE 19 HE2 PHE 19 -8.805 17.385 14.827 163 HZ PHE 19 HZ PHE 19 -7.975 19.643 15.355 164 H LEU 20 H LEU 20 -8.367 16.520 8.666 165 HA LEU 20 HA LEU 20 -9.523 16.888 5.999 166 HB2 LEU 20 HB2 LEU 20 -6.787 16.240 6.577 167 HB3 LEU 20 HB3 LEU 20 -7.560 14.895 5.740 168 HG LEU 20 HG LEU 20 -6.510 16.247 4.095 169 HD11 LEU 20 HD11 LEU 20 -8.935 17.418 3.321 170 HD12 LEU 20 HD12 LEU 20 -9.361 15.957 4.211 171 HD13 LEU 20 HD13 LEU 20 -8.281 15.858 2.820 172 HD21 LEU 20 HD21 LEU 20 -6.454 18.283 5.638 173 HD22 LEU 20 HD22 LEU 20 -8.059 18.652 5.007 174 HD23 LEU 20 HD23 LEU 20 -6.677 18.576 3.913 175 H ILE 21 H ILE 21 -11.343 15.739 6.167 176 HA ILE 21 HA ILE 21 -11.366 13.230 7.649 177 HB ILE 21 HB ILE 21 -13.874 13.386 6.721 178 HG12 ILE 21 HG12 ILE 21 -13.042 15.587 5.544 179 HG13 ILE 21 HG13 ILE 21 -14.639 15.524 6.281 180 HG21 ILE 21 HG21 ILE 21 -12.692 14.848 9.072 181 HG22 ILE 21 HG22 ILE 21 -14.422 14.609 8.836 182 HG23 ILE 21 HG23 ILE 21 -13.360 13.217 9.042 183 HD11 ILE 21 HD11 ILE 21 -12.307 16.489 7.870 184 HD12 ILE 21 HD12 ILE 21 -13.097 17.557 6.709 185 HD13 ILE 21 HD13 ILE 21 -14.021 16.868 8.043 186 H THR 22 H THR 22 -11.032 11.347 6.690 187 HA THR 22 HA THR 22 -11.052 11.164 3.792 188 HB THR 22 HB THR 22 -10.557 8.637 5.078 189 HG1 THR 22 HG1 THR 22 -9.611 9.368 6.829 190 HG21 THR 22 HG21 THR 22 -9.130 10.544 3.286 191 HG22 THR 22 HG22 THR 22 -9.565 8.856 3.018 192 HG23 THR 22 HG23 THR 22 -8.202 9.261 4.062 193 H HIS 23 H HIS 23 -11.786 8.702 3.160 194 HA HIS 23 HA HIS 23 -14.454 8.242 4.288 195 HB2 HIS 23 HB2 HIS 23 -13.791 9.046 1.522 196 HB3 HIS 23 HB3 HIS 23 -14.937 7.717 1.673 197 HD1 HIS 23 HD1 HIS 23 -14.966 11.192 1.278 198 HD2 HIS 23 HD2 HIS 23 -17.028 8.594 3.779 199 HE1 HIS 23 HE1 HIS 23 -17.013 12.453 2.016 200 H ASN 24 H ASN 24 -11.836 7.049 2.232 201 HA ASN 24 HA ASN 24 -12.644 4.452 1.811 202 HB2 ASN 24 HB2 ASN 24 -10.072 3.968 1.990 203 HB3 ASN 24 HB3 ASN 24 -10.686 4.996 0.699 204 HD21 ASN 24 HD21 ASN 24 -9.735 5.361 4.102 205 HD22 ASN 24 HD22 ASN 24 -8.772 6.775 3.855 206 HA PRO 25 HA PRO 25 -12.605 2.304 5.637 207 HB2 PRO 25 HB2 PRO 25 -11.584 -0.110 4.929 208 HB3 PRO 25 HB3 PRO 25 -13.207 0.419 4.471 209 HG2 PRO 25 HG2 PRO 25 -10.682 0.446 2.864 210 HG3 PRO 25 HG3 PRO 25 -12.318 -0.027 2.369 211 HD2 PRO 25 HD2 PRO 25 -11.257 2.390 1.768 212 HD3 PRO 25 HD3 PRO 25 -12.992 2.155 2.060 213 H THR 26 H THR 26 -10.830 3.883 6.302 214 HA THR 26 HA THR 26 -8.813 4.333 7.270 215 HB THR 26 HB THR 26 -8.643 1.384 7.868 216 HG1 THR 26 HG1 THR 26 -10.109 3.290 9.387 217 HG21 THR 26 HG21 THR 26 -7.336 3.813 8.814 218 HG22 THR 26 HG22 THR 26 -6.854 2.126 8.995 219 HG23 THR 26 HG23 THR 26 -8.007 2.840 10.122 220 H ASN 27 H ASN 27 -8.208 4.519 4.835 221 HA ASN 27 HA ASN 27 -6.540 4.386 3.294 222 HB2 ASN 27 HB2 ASN 27 -4.919 2.576 5.037 223 HB3 ASN 27 HB3 ASN 27 -4.393 3.912 4.017 224 HD21 ASN 27 HD21 ASN 27 -4.158 3.120 6.974 225 HD22 ASN 27 HD22 ASN 27 -4.520 4.591 7.806 226 H ALA 28 H ALA 28 -6.853 3.238 1.515 227 HA ALA 28 HA ALA 28 -7.687 0.485 1.632 228 HB1 ALA 28 HB1 ALA 28 -8.790 1.691 -0.022 229 HB2 ALA 28 HB2 ALA 28 -7.308 2.466 -0.583 230 HB3 ALA 28 HB3 ALA 28 -7.596 0.760 -0.926 231 H THR 29 H THR 29 -4.835 2.253 0.498 232 HA THR 29 HA THR 29 -3.380 -0.308 0.430 233 HB THR 29 HB THR 29 -3.515 0.215 -1.846 234 HG1 THR 29 HG1 THR 29 -1.260 0.125 -0.823 235 HG21 THR 29 HG21 THR 29 -2.909 3.091 -1.145 236 HG22 THR 29 HG22 THR 29 -4.482 2.451 -1.619 237 HG23 THR 29 HG23 THR 29 -3.149 2.456 -2.772 238 H LEU 30 H LEU 30 -3.639 2.736 1.777 239 HA LEU 30 HA LEU 30 -2.375 3.778 3.372 240 HB2 LEU 30 HB2 LEU 30 -1.585 1.308 3.724 241 HB3 LEU 30 HB3 LEU 30 -0.108 1.882 2.953 242 HG LEU 30 HG LEU 30 0.168 3.548 4.727 243 HD11 LEU 30 HD11 LEU 30 -1.643 2.527 6.667 244 HD12 LEU 30 HD12 LEU 30 -2.557 2.976 5.227 245 HD13 LEU 30 HD13 LEU 30 -1.521 4.163 6.019 246 HD21 LEU 30 HD21 LEU 30 0.987 2.083 6.339 247 HD22 LEU 30 HD22 LEU 30 0.985 1.113 4.866 248 HD23 LEU 30 HD23 LEU 30 -0.296 0.905 6.062 249 H SER 31 H SER 31 -0.186 2.490 0.864 250 HA SER 31 HA SER 31 1.672 4.481 0.760 251 HB2 SER 31 HB2 SER 31 2.276 2.913 -0.762 252 HB3 SER 31 HB3 SER 31 0.605 2.538 -1.183 253 HG SER 31 HG SER 31 2.171 3.749 -2.724 254 H THR 32 H THR 32 -1.311 4.405 -1.193 255 HA THR 32 HA THR 32 -0.970 7.038 -2.204 256 HB THR 32 HB THR 32 -3.558 5.488 -2.032 257 HG1 THR 32 HG1 THR 32 -1.921 5.513 -4.321 258 HG21 THR 32 HG21 THR 32 -2.667 7.566 -4.031 259 HG22 THR 32 HG22 THR 32 -3.684 7.913 -2.633 260 HG23 THR 32 HG23 THR 32 -4.262 6.826 -3.895 261 H PHE 33 H PHE 33 -2.572 5.697 0.604 262 HA PHE 33 HA PHE 33 -4.184 7.881 1.292 263 HB2 PHE 33 HB2 PHE 33 -4.708 6.020 2.541 264 HB3 PHE 33 HB3 PHE 33 -3.022 5.566 2.768 265 HD1 PHE 33 HD1 PHE 33 -5.231 8.446 3.648 266 HD2 PHE 33 HD2 PHE 33 -2.255 5.681 4.917 267 HE1 PHE 33 HE1 PHE 33 -5.271 9.440 5.899 268 HE2 PHE 33 HE2 PHE 33 -2.291 6.669 7.169 269 HZ PHE 33 HZ PHE 33 -3.801 8.551 7.663 270 H ILE 34 H ILE 34 -0.899 7.047 2.380 271 HA ILE 34 HA ILE 34 -0.477 9.244 4.040 272 HB ILE 34 HB ILE 34 1.617 7.856 2.364 273 HG12 ILE 34 HG12 ILE 34 0.930 7.178 5.211 274 HG13 ILE 34 HG13 ILE 34 0.064 6.429 3.874 275 HG21 ILE 34 HG21 ILE 34 2.963 9.383 3.271 276 HG22 ILE 34 HG22 ILE 34 1.709 9.943 4.375 277 HG23 ILE 34 HG23 ILE 34 2.705 8.554 4.806 278 HD11 ILE 34 HD11 ILE 34 1.967 5.323 3.111 279 HD12 ILE 34 HD12 ILE 34 3.052 6.362 4.036 280 HD13 ILE 34 HD13 ILE 34 2.046 5.176 4.867 281 H GLU 35 H GLU 35 -0.037 8.899 0.556 282 HA GLU 35 HA GLU 35 1.249 11.385 0.141 283 HB2 GLU 35 HB2 GLU 35 -0.476 9.972 -1.885 284 HB3 GLU 35 HB3 GLU 35 0.908 11.015 -2.178 285 HG2 GLU 35 HG2 GLU 35 1.828 8.898 -0.574 286 HG3 GLU 35 HG3 GLU 35 0.819 8.183 -1.831 287 H ASP 36 H ASP 36 -2.120 10.404 0.262 288 HA ASP 36 HA ASP 36 -3.280 12.722 -0.807 289 HB2 ASP 36 HB2 ASP 36 -4.227 10.332 0.151 290 HB3 ASP 36 HB3 ASP 36 -4.791 11.465 1.375 291 H LEU 37 H LEU 37 -2.668 11.843 2.590 292 HA LEU 37 HA LEU 37 -3.503 14.385 3.588 293 HB2 LEU 37 HB2 LEU 37 -2.655 13.605 5.727 294 HB3 LEU 37 HB3 LEU 37 -3.640 12.371 4.946 295 HG LEU 37 HG LEU 37 -1.322 11.453 4.143 296 HD11 LEU 37 HD11 LEU 37 -0.120 12.177 6.640 297 HD12 LEU 37 HD12 LEU 37 -0.498 13.628 5.713 298 HD13 LEU 37 HD13 LEU 37 0.506 12.364 5.002 299 HD21 LEU 37 HD21 LEU 37 -2.284 9.894 5.431 300 HD22 LEU 37 HD22 LEU 37 -2.892 11.081 6.585 301 HD23 LEU 37 HD23 LEU 37 -1.227 10.509 6.702 302 H LYS 38 H LYS 38 -0.568 13.132 2.308 303 HA LYS 38 HA LYS 38 1.144 15.097 3.543 304 HB2 LYS 38 HB2 LYS 38 1.489 12.858 1.613 305 HB3 LYS 38 HB3 LYS 38 2.687 14.146 1.581 306 HG2 LYS 38 HG2 LYS 38 2.689 13.718 4.189 307 HG3 LYS 38 HG3 LYS 38 2.120 12.127 3.679 308 HD2 LYS 38 HD2 LYS 38 4.564 13.441 2.510 309 HD3 LYS 38 HD3 LYS 38 4.626 12.394 3.931 310 HE2 LYS 38 HE2 LYS 38 4.579 10.578 2.651 311 HE3 LYS 38 HE3 LYS 38 3.105 11.129 1.856 312 HZ1 LYS 38 HZ1 LYS 38 5.046 10.757 0.356 313 HZ2 LYS 38 HZ2 LYS 38 5.811 12.072 1.095 314 HZ3 LYS 38 HZ3 LYS 38 4.364 12.302 0.250 315 H LYS 39 H LYS 39 -0.480 14.654 0.455 316 HA LYS 39 HA LYS 39 0.782 16.892 -0.810 317 HB2 LYS 39 HB2 LYS 39 -0.759 16.510 -2.627 318 HB3 LYS 39 HB3 LYS 39 -0.150 14.959 -2.064 319 HG2 LYS 39 HG2 LYS 39 -2.202 14.541 -0.867 320 HG3 LYS 39 HG3 LYS 39 -2.811 16.141 -1.296 321 HD2 LYS 39 HD2 LYS 39 -2.059 14.047 -3.328 322 HD3 LYS 39 HD3 LYS 39 -3.693 14.243 -2.692 323 HE2 LYS 39 HE2 LYS 39 -2.700 16.789 -3.519 324 HE3 LYS 39 HE3 LYS 39 -2.463 15.630 -4.826 325 HZ1 LYS 39 HZ1 LYS 39 -4.981 15.108 -3.931 326 HZ2 LYS 39 HZ2 LYS 39 -4.587 16.002 -5.311 327 HZ3 LYS 39 HZ3 LYS 39 -4.886 16.795 -3.847 328 H TYR 40 H TYR 40 -2.230 16.347 0.925 329 HA TYR 40 HA TYR 40 -3.402 18.861 0.321 330 HB2 TYR 40 HB2 TYR 40 -3.962 16.616 2.166 331 HB3 TYR 40 HB3 TYR 40 -4.598 18.184 2.651 332 HD1 TYR 40 HD2 TYR 40 -4.478 15.900 -0.299 333 HD2 TYR 40 HD1 TYR 40 -6.657 18.868 1.833 334 HE1 TYR 40 HE2 TYR 40 -6.379 15.594 -1.829 335 HE2 TYR 40 HE1 TYR 40 -8.565 18.570 0.309 336 HH TYR 40 HH TYR 40 -8.347 16.494 -2.523 337 H GLY 41 H GLY 41 -0.775 18.037 2.236 338 HA2 GLY 41 HA2 GLY 41 0.606 19.499 3.414 339 HA3 GLY 41 HA3 GLY 41 -0.658 20.718 3.331 340 H ALA 42 H ALA 42 -1.205 17.466 4.509 341 HA ALA 42 HA ALA 42 -1.805 18.600 7.151 342 HB1 ALA 42 HB1 ALA 42 -2.732 16.064 5.816 343 HB2 ALA 42 HB2 ALA 42 -3.079 16.475 7.496 344 HB3 ALA 42 HB3 ALA 42 -3.690 17.496 6.194 345 H THR 43 H THR 43 -0.375 18.293 8.714 346 HA THR 43 HA THR 43 1.661 16.226 8.434 347 HB THR 43 HB THR 43 2.871 17.331 10.170 348 HG1 THR 43 HG1 THR 43 0.651 19.066 10.567 349 HG21 THR 43 HG21 THR 43 1.583 19.526 8.550 350 HG22 THR 43 HG22 THR 43 2.808 18.428 7.914 351 HG23 THR 43 HG23 THR 43 3.203 19.513 9.246 352 H THR 44 H THR 44 -1.062 15.442 9.038 353 HA THR 44 HA THR 44 -0.518 13.958 11.496 354 HB THR 44 HB THR 44 -3.261 14.521 11.645 355 HG1 THR 44 HG1 THR 44 -1.719 16.880 11.195 356 HG21 THR 44 HG21 THR 44 -2.742 15.376 13.777 357 HG22 THR 44 HG22 THR 44 -1.141 15.911 13.265 358 HG23 THR 44 HG23 THR 44 -1.479 14.190 13.448 359 H VAL 45 H VAL 45 -1.430 11.930 11.565 360 HA VAL 45 HA VAL 45 -2.452 10.932 9.031 361 HB VAL 45 HB VAL 45 -2.062 9.208 11.448 362 HG11 VAL 45 HG11 VAL 45 -2.036 8.874 8.482 363 HG12 VAL 45 HG12 VAL 45 -1.146 7.736 9.496 364 HG13 VAL 45 HG13 VAL 45 -2.886 7.938 9.711 365 HG21 VAL 45 HG21 VAL 45 0.304 8.947 10.884 366 HG22 VAL 45 HG22 VAL 45 0.150 10.196 9.648 367 HG23 VAL 45 HG23 VAL 45 -0.065 10.608 11.350 368 H VAL 46 H VAL 46 -4.440 9.998 8.720 369 HA VAL 46 HA VAL 46 -6.559 10.886 10.418 370 HB VAL 46 HB VAL 46 -8.056 10.002 8.836 371 HG11 VAL 46 HG11 VAL 46 -6.977 11.845 7.854 372 HG12 VAL 46 HG12 VAL 46 -5.514 10.917 7.520 373 HG13 VAL 46 HG13 VAL 46 -6.988 10.601 6.605 374 HG21 VAL 46 HG21 VAL 46 -7.699 7.832 8.364 375 HG22 VAL 46 HG22 VAL 46 -6.818 8.469 6.975 376 HG23 VAL 46 HG23 VAL 46 -5.944 7.998 8.433 377 H ARG 47 H ARG 47 -4.783 9.233 11.852 378 HA ARG 47 HA ARG 47 -5.727 6.570 12.075 379 HB2 ARG 47 HB2 ARG 47 -3.894 8.333 13.593 380 HB3 ARG 47 HB3 ARG 47 -4.600 6.993 14.487 381 HG2 ARG 47 HG2 ARG 47 -3.812 5.606 12.402 382 HG3 ARG 47 HG3 ARG 47 -2.696 6.959 12.205 383 HD2 ARG 47 HD2 ARG 47 -1.376 5.934 13.677 384 HD3 ARG 47 HD3 ARG 47 -2.563 6.368 14.906 385 HE ARG 47 HE ARG 47 -3.308 3.964 13.612 386 HH11 ARG 47 HH11 ARG 47 -1.051 5.247 15.931 387 HH12 ARG 47 HH12 ARG 47 -0.868 3.747 16.778 388 HH21 ARG 47 HH21 ARG 47 -3.075 1.983 14.719 389 HH22 ARG 47 HH22 ARG 47 -2.019 1.891 16.087 390 H VAL 48 H VAL 48 -7.362 9.301 12.666 391 HA VAL 48 HA VAL 48 -8.507 8.834 15.225 392 HB VAL 48 HB VAL 48 -9.609 10.425 12.904 393 HG11 VAL 48 HG11 VAL 48 -10.746 11.633 14.902 394 HG12 VAL 48 HG12 VAL 48 -11.441 10.131 14.288 395 HG13 VAL 48 HG13 VAL 48 -10.460 10.116 15.754 396 HG21 VAL 48 HG21 VAL 48 -7.867 11.197 15.237 397 HG22 VAL 48 HG22 VAL 48 -7.487 11.321 13.519 398 HG23 VAL 48 HG23 VAL 48 -8.720 12.365 14.226 399 H CYS 49 H CYS 49 -8.921 6.508 14.947 400 HA CYS 49 HA CYS 49 -11.621 5.935 14.640 401 HB2 CYS 49 HB2 CYS 49 -11.708 4.688 12.556 402 HB3 CYS 49 HB3 CYS 49 -11.197 6.341 12.235 403 HG CYS 49 HG CYS 49 -9.176 3.581 12.293 404 H GLU 50 H GLU 50 -11.552 3.282 13.769 405 HA GLU 50 HA GLU 50 -10.433 2.018 16.073 406 HB2 GLU 50 HB2 GLU 50 -12.559 1.363 14.792 407 HB3 GLU 50 HB3 GLU 50 -11.481 0.585 13.643 408 HG2 GLU 50 HG2 GLU 50 -11.513 -1.219 14.915 409 HG3 GLU 50 HG3 GLU 50 -10.663 -0.308 16.162 410 H VAL 51 H VAL 51 -8.247 3.043 15.222 411 HA VAL 51 HA VAL 51 -6.832 1.632 13.204 412 HB VAL 51 HB VAL 51 -4.794 2.685 14.269 413 HG11 VAL 51 HG11 VAL 51 -7.153 4.260 13.306 414 HG12 VAL 51 HG12 VAL 51 -5.643 5.065 13.739 415 HG13 VAL 51 HG13 VAL 51 -5.662 3.854 12.457 416 HG21 VAL 51 HG21 VAL 51 -5.947 2.781 16.550 417 HG22 VAL 51 HG22 VAL 51 -4.998 4.185 16.059 418 HG23 VAL 51 HG23 VAL 51 -6.758 4.224 15.941 419 H THR 52 H THR 52 -5.346 -0.012 13.345 420 HA THR 52 HA THR 52 -4.696 -1.172 15.927 421 HB THR 52 HB THR 52 -5.488 -3.398 15.407 422 HG1 THR 52 HG1 THR 52 -6.864 -2.458 13.133 423 HG21 THR 52 HG21 THR 52 -7.058 -1.877 16.529 424 HG22 THR 52 HG22 THR 52 -7.902 -3.037 15.502 425 HG23 THR 52 HG23 THR 52 -7.685 -1.373 14.960 426 H TYR 53 H TYR 53 -3.253 0.106 13.720 427 HA TYR 53 HA TYR 53 -1.372 -2.082 13.161 428 HB2 TYR 53 HB2 TYR 53 -1.085 -1.442 10.905 429 HB3 TYR 53 HB3 TYR 53 -2.827 -1.456 11.156 430 HD1 TYR 53 HD1 TYR 53 0.122 0.679 10.656 431 HD2 TYR 53 HD2 TYR 53 -4.111 0.582 11.080 432 HE1 TYR 53 HE1 TYR 53 -0.006 3.000 9.852 433 HE2 TYR 53 HE2 TYR 53 -4.250 2.902 10.276 434 HH TYR 53 HH TYR 53 -3.132 4.641 9.468 435 H ASP 54 H ASP 54 0.759 -1.576 13.353 436 HA ASP 54 HA ASP 54 1.448 0.769 14.807 437 HB2 ASP 54 HB2 ASP 54 2.855 -1.632 13.803 438 HB3 ASP 54 HB3 ASP 54 3.855 -0.199 14.027 439 H LYS 55 H LYS 55 2.164 2.690 14.129 440 HA LYS 55 HA LYS 55 2.066 3.361 11.366 441 HB2 LYS 55 HB2 LYS 55 3.071 5.568 12.254 442 HB3 LYS 55 HB3 LYS 55 1.456 5.112 12.782 443 HG2 LYS 55 HG2 LYS 55 2.104 4.753 14.925 444 HG3 LYS 55 HG3 LYS 55 3.727 4.232 14.465 445 HD2 LYS 55 HD2 LYS 55 4.500 6.420 14.254 446 HD3 LYS 55 HD3 LYS 55 2.871 7.082 14.103 447 HE2 LYS 55 HE2 LYS 55 3.762 7.640 16.272 448 HE3 LYS 55 HE3 LYS 55 2.449 6.480 16.462 449 HZ1 LYS 55 HZ1 LYS 55 4.932 6.251 17.534 450 HZ2 LYS 55 HZ2 LYS 55 5.016 5.231 16.187 451 HZ3 LYS 55 HZ3 LYS 55 3.818 4.989 17.357 452 H THR 56 H THR 56 3.571 2.485 10.064 453 HA THR 56 HA THR 56 6.376 2.503 10.907 454 HB THR 56 HB THR 56 6.546 0.567 9.824 455 HG1 THR 56 HG1 THR 56 6.908 0.830 7.759 456 HG21 THR 56 HG21 THR 56 4.564 -0.544 8.929 457 HG22 THR 56 HG22 THR 56 3.693 0.990 8.925 458 HG23 THR 56 HG23 THR 56 4.191 0.263 10.452 459 HA PRO 57 HA PRO 57 6.545 4.772 6.642 460 HB2 PRO 57 HB2 PRO 57 4.177 5.460 5.506 461 HB3 PRO 57 HB3 PRO 57 4.976 3.914 5.200 462 HG2 PRO 57 HG2 PRO 57 2.722 4.544 7.066 463 HG3 PRO 57 HG3 PRO 57 2.918 3.159 5.976 464 HD2 PRO 57 HD2 PRO 57 3.427 3.006 8.631 465 HD3 PRO 57 HD3 PRO 57 4.321 2.051 7.430 466 H LEU 58 H LEU 58 3.354 5.973 7.645 467 HA LEU 58 HA LEU 58 3.916 8.656 7.563 468 HB2 LEU 58 HB2 LEU 58 1.994 9.017 8.912 469 HB3 LEU 58 HB3 LEU 58 1.680 7.610 7.898 470 HG LEU 58 HG LEU 58 0.780 7.191 10.071 471 HD11 LEU 58 HD11 LEU 58 3.346 5.652 10.103 472 HD12 LEU 58 HD12 LEU 58 2.166 5.410 8.815 473 HD13 LEU 58 HD13 LEU 58 1.713 5.112 10.493 474 HD21 LEU 58 HD21 LEU 58 3.342 7.268 11.511 475 HD22 LEU 58 HD22 LEU 58 1.729 7.759 12.030 476 HD23 LEU 58 HD23 LEU 58 2.701 8.840 11.030 477 H GLU 59 H GLU 59 5.024 6.352 9.845 478 HA GLU 59 HA GLU 59 5.510 8.116 12.024 479 HB2 GLU 59 HB2 GLU 59 5.407 5.815 12.551 480 HB3 GLU 59 HB3 GLU 59 6.554 5.391 11.288 481 HG2 GLU 59 HG2 GLU 59 7.600 5.200 13.445 482 HG3 GLU 59 HG3 GLU 59 8.333 6.523 12.541 483 H LYS 60 H LYS 60 7.564 6.833 9.427 484 HA LYS 60 HA LYS 60 9.831 8.404 10.261 485 HB2 LYS 60 HB2 LYS 60 9.488 6.939 7.646 486 HB3 LYS 60 HB3 LYS 60 10.994 7.412 8.420 487 HG2 LYS 60 HG2 LYS 60 9.054 5.329 9.400 488 HG3 LYS 60 HG3 LYS 60 10.638 5.042 8.675 489 HD2 LYS 60 HD2 LYS 60 11.736 6.105 10.538 490 HD3 LYS 60 HD3 LYS 60 10.183 6.582 11.230 491 HE2 LYS 60 HE2 LYS 60 9.722 3.994 11.135 492 HE3 LYS 60 HE3 LYS 60 11.482 3.900 11.126 493 HZ1 LYS 60 HZ1 LYS 60 11.478 5.273 13.158 494 HZ2 LYS 60 HZ2 LYS 60 10.701 3.786 13.369 495 HZ3 LYS 60 HZ3 LYS 60 9.788 5.199 13.189 496 H ASP 61 H ASP 61 7.069 8.931 8.364 497 HA ASP 61 HA ASP 61 8.211 10.865 6.571 498 HB2 ASP 61 HB2 ASP 61 5.640 9.581 6.954 499 HB3 ASP 61 HB3 ASP 61 5.453 11.312 6.684 500 H GLY 62 H GLY 62 7.687 10.941 9.806 501 HA2 GLY 62 HA2 GLY 62 7.751 12.670 11.323 502 HA3 GLY 62 HA3 GLY 62 8.013 13.763 9.972 503 H ILE 63 H ILE 63 5.237 11.647 10.166 504 HA ILE 63 HA ILE 63 3.523 14.021 10.341 505 HB ILE 63 HB ILE 63 2.927 11.220 9.391 506 HG12 ILE 63 HG12 ILE 63 2.622 13.727 7.778 507 HG13 ILE 63 HG13 ILE 63 4.220 13.016 7.980 508 HG21 ILE 63 HG21 ILE 63 0.994 12.120 10.566 509 HG22 ILE 63 HG22 ILE 63 1.072 13.588 9.594 510 HG23 ILE 63 HG23 ILE 63 0.690 12.045 8.831 511 HD11 ILE 63 HD11 ILE 63 1.813 11.632 6.821 512 HD12 ILE 63 HD12 ILE 63 3.176 12.288 5.913 513 HD13 ILE 63 HD13 ILE 63 3.419 10.931 7.013 514 H THR 64 H THR 64 2.195 14.367 12.018 515 HA THR 64 HA THR 64 2.511 12.937 14.425 516 HB THR 64 HB THR 64 0.517 15.012 13.543 517 HG1 THR 64 HG1 THR 64 2.491 15.082 15.593 518 HG21 THR 64 HG21 THR 64 -0.253 15.110 15.892 519 HG22 THR 64 HG22 THR 64 0.679 13.653 16.235 520 HG23 THR 64 HG23 THR 64 -0.672 13.590 15.104 521 H VAL 65 H VAL 65 1.589 11.129 15.129 522 HA VAL 65 HA VAL 65 -0.424 9.813 13.535 523 HB VAL 65 HB VAL 65 1.201 8.344 14.391 524 HG11 VAL 65 HG11 VAL 65 2.377 9.223 16.102 525 HG12 VAL 65 HG12 VAL 65 0.962 9.998 16.817 526 HG13 VAL 65 HG13 VAL 65 1.259 8.280 17.087 527 HG21 VAL 65 HG21 VAL 65 -0.673 7.648 16.513 528 HG22 VAL 65 HG22 VAL 65 -1.462 7.987 14.973 529 HG23 VAL 65 HG23 VAL 65 -0.212 6.747 15.068 530 H VAL 66 H VAL 66 -2.481 10.413 13.723 531 HA VAL 66 HA VAL 66 -3.502 11.220 16.356 532 HB VAL 66 HB VAL 66 -4.920 11.546 13.717 533 HG11 VAL 66 HG11 VAL 66 -6.360 13.000 14.834 534 HG12 VAL 66 HG12 VAL 66 -6.112 11.692 15.992 535 HG13 VAL 66 HG13 VAL 66 -5.247 13.217 16.184 536 HG21 VAL 66 HG21 VAL 66 -4.096 13.859 13.696 537 HG22 VAL 66 HG22 VAL 66 -3.089 13.507 15.100 538 HG23 VAL 66 HG23 VAL 66 -2.779 12.693 13.567 539 H ASP 67 H ASP 67 -3.797 9.151 17.233 540 HA ASP 67 HA ASP 67 -5.846 7.496 15.917 541 HB2 ASP 67 HB2 ASP 67 -4.935 5.736 17.609 542 HB3 ASP 67 HB3 ASP 67 -4.004 6.097 16.158 543 H TRP 68 H TRP 68 -7.799 7.862 16.729 544 HA TRP 68 HA TRP 68 -8.118 7.897 19.641 545 HB2 TRP 68 HB2 TRP 68 -9.530 9.853 17.819 546 HB3 TRP 68 HB3 TRP 68 -9.627 9.780 19.576 547 HD1 TRP 68 HD1 TRP 68 -8.141 11.867 17.107 548 HE1 TRP 68 HE1 TRP 68 -6.014 13.044 17.952 549 HE3 TRP 68 HE3 TRP 68 -7.196 8.982 21.220 550 HZ2 TRP 68 HZ2 TRP 68 -4.178 12.784 20.080 551 HZ3 TRP 68 HZ3 TRP 68 -5.234 9.512 22.607 552 HH2 TRP 68 HH2 TRP 68 -3.757 11.374 22.046 553 HA PRO 69 HA PRO 69 -11.323 5.010 18.742 554 HB2 PRO 69 HB2 PRO 69 -12.670 5.152 21.095 555 HB3 PRO 69 HB3 PRO 69 -11.113 4.333 20.927 556 HG2 PRO 69 HG2 PRO 69 -11.709 7.074 21.972 557 HG3 PRO 69 HG3 PRO 69 -10.593 5.852 22.609 558 HD2 PRO 69 HD2 PRO 69 -9.756 7.955 21.123 559 HD3 PRO 69 HD3 PRO 69 -8.949 6.374 21.081 560 H PHE 70 H PHE 70 -11.826 7.356 17.437 561 HA PHE 70 HA PHE 70 -14.464 8.286 18.272 562 HB2 PHE 70 HB2 PHE 70 -12.653 9.216 16.034 563 HB3 PHE 70 HB3 PHE 70 -14.197 9.950 16.453 564 HD1 PHE 70 HD2 PHE 70 -13.043 9.031 19.500 565 HD2 PHE 70 HD1 PHE 70 -12.101 11.772 16.383 566 HE1 PHE 70 HE2 PHE 70 -11.908 10.485 21.127 567 HE2 PHE 70 HE1 PHE 70 -10.963 13.231 18.005 568 HZ PHE 70 HZ PHE 70 -10.866 12.589 20.380 569 H ASP 71 H ASP 71 -13.436 5.692 16.704 570 HA ASP 71 HA ASP 71 -15.707 5.705 14.827 571 HB2 ASP 71 HB2 ASP 71 -13.398 5.768 13.751 572 HB3 ASP 71 HB3 ASP 71 -13.163 4.143 14.389 573 H ASP 72 H ASP 72 -15.225 4.730 17.677 574 HA ASP 72 HA ASP 72 -16.376 2.067 17.248 575 HB2 ASP 72 HB2 ASP 72 -14.045 1.647 17.763 576 HB3 ASP 72 HB3 ASP 72 -14.127 2.709 19.166 577 H GLY 73 H GLY 73 -15.381 3.825 20.174 578 HA2 GLY 73 HA2 GLY 73 -18.158 4.411 20.825 579 HA3 GLY 73 HA3 GLY 73 -17.350 3.260 21.880 580 H ALA 74 H ALA 74 -14.872 4.267 22.195 581 HA ALA 74 HA ALA 74 -13.652 5.787 23.371 582 HB1 ALA 74 HB1 ALA 74 -15.409 7.443 21.687 583 HB2 ALA 74 HB2 ALA 74 -14.697 8.257 23.080 584 HB3 ALA 74 HB3 ALA 74 -13.657 7.481 21.886 585 HA PRO 75 HA PRO 75 -15.528 6.379 27.292 586 HB2 PRO 75 HB2 PRO 75 -14.207 8.540 28.270 587 HB3 PRO 75 HB3 PRO 75 -13.454 6.950 28.101 588 HG2 PRO 75 HG2 PRO 75 -13.265 9.336 26.303 589 HG3 PRO 75 HG3 PRO 75 -11.984 8.231 26.834 590 HD2 PRO 75 HD2 PRO 75 -13.151 8.045 24.398 591 HD3 PRO 75 HD3 PRO 75 -12.551 6.626 25.280 592 HA PRO 76 HA PRO 76 -18.816 9.292 26.593 593 HB2 PRO 76 HB2 PRO 76 -20.148 8.819 28.910 594 HB3 PRO 76 HB3 PRO 76 -20.197 7.714 27.531 595 HG2 PRO 76 HG2 PRO 76 -18.546 7.561 30.024 596 HG3 PRO 76 HG3 PRO 76 -19.422 6.270 29.181 597 HD2 PRO 76 HD2 PRO 76 -16.750 6.627 28.923 598 HD3 PRO 76 HD3 PRO 76 -17.761 6.000 27.605 599 HA PRO 77 HA PRO 77 -17.597 11.666 30.693 600 HB2 PRO 77 HB2 PRO 77 -15.039 11.199 31.471 601 HB3 PRO 77 HB3 PRO 77 -16.414 10.274 32.086 602 HG2 PRO 77 HG2 PRO 77 -14.463 9.560 29.931 603 HG3 PRO 77 HG3 PRO 77 -15.112 8.547 31.233 604 HD2 PRO 77 HD2 PRO 77 -16.052 8.438 28.696 605 HD3 PRO 77 HD3 PRO 77 -17.085 8.149 30.110 606 H GLY 78 H GLY 78 -15.540 13.230 31.120 607 HA2 GLY 78 HA2 GLY 78 -15.103 14.505 28.536 608 HA3 GLY 78 HA3 GLY 78 -14.782 15.209 30.114 609 H LYS 79 H LYS 79 -13.663 12.126 28.768 610 HA LYS 79 HA LYS 79 -10.934 12.845 29.473 611 HB2 LYS 79 HB2 LYS 79 -11.953 10.587 29.983 612 HB3 LYS 79 HB3 LYS 79 -11.913 10.261 28.255 613 HG2 LYS 79 HG2 LYS 79 -10.008 9.243 29.287 614 HG3 LYS 79 HG3 LYS 79 -9.462 10.594 28.290 615 HD2 LYS 79 HD2 LYS 79 -9.991 11.611 30.878 616 HD3 LYS 79 HD3 LYS 79 -9.041 10.136 31.075 617 HE2 LYS 79 HE2 LYS 79 -7.255 10.978 29.844 618 HE3 LYS 79 HE3 LYS 79 -8.248 12.207 29.062 619 HZ1 LYS 79 HZ1 LYS 79 -8.408 13.370 31.172 620 HZ2 LYS 79 HZ2 LYS 79 -6.789 13.174 30.724 621 HZ3 LYS 79 HZ3 LYS 79 -7.460 12.190 31.926 622 H VAL 80 H VAL 80 -12.700 11.744 26.584 623 HA VAL 80 HA VAL 80 -10.685 11.778 24.723 624 HB VAL 80 HB VAL 80 -13.559 12.633 24.374 625 HG11 VAL 80 HG11 VAL 80 -11.460 12.056 22.288 626 HG12 VAL 80 HG12 VAL 80 -13.187 12.209 21.960 627 HG13 VAL 80 HG13 VAL 80 -12.278 13.591 22.573 628 HG21 VAL 80 HG21 VAL 80 -14.004 10.461 24.486 629 HG22 VAL 80 HG22 VAL 80 -12.942 10.177 23.107 630 HG23 VAL 80 HG23 VAL 80 -12.295 10.108 24.746 631 H VAL 81 H VAL 81 -12.384 14.505 26.126 632 HA VAL 81 HA VAL 81 -11.801 16.558 24.412 633 HB VAL 81 HB VAL 81 -11.968 18.075 26.234 634 HG11 VAL 81 HG11 VAL 81 -13.618 15.853 27.325 635 HG12 VAL 81 HG12 VAL 81 -14.054 17.532 27.003 636 HG13 VAL 81 HG13 VAL 81 -13.910 16.386 25.670 637 HG21 VAL 81 HG21 VAL 81 -11.141 15.741 27.938 638 HG22 VAL 81 HG22 VAL 81 -10.342 17.303 27.759 639 HG23 VAL 81 HG23 VAL 81 -11.880 17.193 28.614 640 H GLU 82 H GLU 82 -9.665 15.147 26.863 641 HA GLU 82 HA GLU 82 -7.531 16.910 26.666 642 HB2 GLU 82 HB2 GLU 82 -7.815 14.051 27.452 643 HB3 GLU 82 HB3 GLU 82 -6.192 14.667 27.174 644 HG2 GLU 82 HG2 GLU 82 -7.553 16.550 28.785 645 HG3 GLU 82 HG3 GLU 82 -7.840 14.951 29.468 646 H ASP 83 H ASP 83 -8.126 13.934 24.814 647 HA ASP 83 HA ASP 83 -5.803 14.159 23.206 648 HB2 ASP 83 HB2 ASP 83 -8.377 12.689 22.596 649 HB3 ASP 83 HB3 ASP 83 -6.815 12.420 21.826 650 H TRP 84 H TRP 84 -9.087 15.350 22.897 651 HA TRP 84 HA TRP 84 -9.117 16.047 20.207 652 HB2 TRP 84 HB2 TRP 84 -10.839 16.351 22.325 653 HB3 TRP 84 HB3 TRP 84 -10.396 18.017 21.967 654 HD1 TRP 84 HD1 TRP 84 -13.036 15.778 21.168 655 HE1 TRP 84 HE1 TRP 84 -14.120 16.290 18.890 656 HE3 TRP 84 HE3 TRP 84 -9.392 18.768 19.189 657 HZ2 TRP 84 HZ2 TRP 84 -13.510 17.765 16.562 658 HZ3 TRP 84 HZ3 TRP 84 -9.719 19.688 16.930 659 HH2 TRP 84 HH2 TRP 84 -11.736 19.196 15.645 660 H LEU 85 H LEU 85 -8.555 18.352 22.874 661 HA LEU 85 HA LEU 85 -7.532 20.390 21.254 662 HB2 LEU 85 HB2 LEU 85 -6.993 19.843 24.169 663 HB3 LEU 85 HB3 LEU 85 -6.663 21.361 23.337 664 HG LEU 85 HG LEU 85 -8.642 21.984 24.187 665 HD11 LEU 85 HD11 LEU 85 -9.885 20.143 22.165 666 HD12 LEU 85 HD12 LEU 85 -9.009 21.603 21.706 667 HD13 LEU 85 HD13 LEU 85 -10.453 21.721 22.711 668 HD21 LEU 85 HD21 LEU 85 -8.614 19.503 25.260 669 HD22 LEU 85 HD22 LEU 85 -10.047 19.399 24.236 670 HD23 LEU 85 HD23 LEU 85 -9.931 20.657 25.468 671 H SER 86 H SER 86 -5.822 17.975 23.229 672 HA SER 86 HA SER 86 -3.224 18.708 22.849 673 HB2 SER 86 HB2 SER 86 -3.656 16.835 24.244 674 HB3 SER 86 HB3 SER 86 -4.458 15.955 22.943 675 HG SER 86 HG SER 86 -1.807 16.712 22.539 676 H LEU 87 H LEU 87 -5.273 16.922 20.588 677 HA LEU 87 HA LEU 87 -3.221 16.507 18.655 678 HB2 LEU 87 HB2 LEU 87 -4.929 14.991 18.428 679 HB3 LEU 87 HB3 LEU 87 -6.180 16.193 18.737 680 HG LEU 87 HG LEU 87 -5.707 17.129 16.453 681 HD11 LEU 87 HD11 LEU 87 -4.645 15.322 14.928 682 HD12 LEU 87 HD12 LEU 87 -3.886 14.759 16.416 683 HD13 LEU 87 HD13 LEU 87 -3.599 16.404 15.848 684 HD21 LEU 87 HD21 LEU 87 -6.650 14.874 15.361 685 HD22 LEU 87 HD22 LEU 87 -7.634 15.946 16.358 686 HD23 LEU 87 HD23 LEU 87 -6.912 14.500 17.065 687 H VAL 88 H VAL 88 -6.183 18.470 18.343 688 HA VAL 88 HA VAL 88 -5.467 19.939 16.138 689 HB VAL 88 HB VAL 88 -7.698 19.971 17.317 690 HG11 VAL 88 HG11 VAL 88 -6.698 20.533 19.555 691 HG12 VAL 88 HG12 VAL 88 -6.475 22.179 18.959 692 HG13 VAL 88 HG13 VAL 88 -8.097 21.500 19.091 693 HG21 VAL 88 HG21 VAL 88 -8.265 22.188 16.551 694 HG22 VAL 88 HG22 VAL 88 -6.570 22.675 16.598 695 HG23 VAL 88 HG23 VAL 88 -7.107 21.465 15.433 696 H LYS 89 H LYS 89 -4.282 20.230 19.374 697 HA LYS 89 HA LYS 89 -3.117 22.851 18.923 698 HB2 LYS 89 HB2 LYS 89 -3.053 20.944 21.261 699 HB3 LYS 89 HB3 LYS 89 -2.146 22.451 21.233 700 HG2 LYS 89 HG2 LYS 89 -4.285 23.666 20.898 701 HG3 LYS 89 HG3 LYS 89 -5.136 22.133 21.102 702 HD2 LYS 89 HD2 LYS 89 -3.451 23.602 23.120 703 HD3 LYS 89 HD3 LYS 89 -5.174 23.231 23.210 704 HE2 LYS 89 HE2 LYS 89 -4.526 21.480 24.450 705 HE3 LYS 89 HE3 LYS 89 -4.084 20.750 22.908 706 HZ1 LYS 89 HZ1 LYS 89 -2.138 20.523 24.033 707 HZ2 LYS 89 HZ2 LYS 89 -2.368 21.909 24.975 708 HZ3 LYS 89 HZ3 LYS 89 -1.869 22.055 23.365 709 H ALA 90 H ALA 90 -2.121 19.487 19.065 710 HA ALA 90 HA ALA 90 0.683 20.012 19.010 711 HB1 ALA 90 HB1 ALA 90 -0.823 17.502 18.281 712 HB2 ALA 90 HB2 ALA 90 0.916 17.623 18.554 713 HB3 ALA 90 HB3 ALA 90 -0.208 17.915 19.882 714 H LYS 91 H LYS 91 -1.422 18.551 16.522 715 HA LYS 91 HA LYS 91 0.293 18.588 14.397 716 HB2 LYS 91 HB2 LYS 91 -1.840 18.993 12.993 717 HB3 LYS 91 HB3 LYS 91 -1.757 17.553 13.998 718 HG2 LYS 91 HG2 LYS 91 -3.681 18.147 14.912 719 HG3 LYS 91 HG3 LYS 91 -2.870 19.547 15.618 720 HD2 LYS 91 HD2 LYS 91 -3.654 19.811 12.787 721 HD3 LYS 91 HD3 LYS 91 -4.983 19.713 13.945 722 HE2 LYS 91 HE2 LYS 91 -3.246 21.467 15.152 723 HE3 LYS 91 HE3 LYS 91 -3.080 21.870 13.443 724 HZ1 LYS 91 HZ1 LYS 91 -4.984 22.961 13.561 725 HZ2 LYS 91 HZ2 LYS 91 -5.157 22.552 15.193 726 HZ3 LYS 91 HZ3 LYS 91 -5.799 21.543 13.996 727 H PHE 92 H PHE 92 -1.486 21.286 15.756 728 HA PHE 92 HA PHE 92 -0.695 23.080 13.622 729 HB2 PHE 92 HB2 PHE 92 -2.752 23.766 14.364 730 HB3 PHE 92 HB3 PHE 92 -2.447 23.248 16.019 731 HD1 PHE 92 HD1 PHE 92 -1.475 25.843 13.541 732 HD2 PHE 92 HD2 PHE 92 -1.924 24.811 17.646 733 HE1 PHE 92 HE1 PHE 92 -0.997 28.171 14.175 734 HE2 PHE 92 HE2 PHE 92 -1.447 27.138 18.286 735 HZ PHE 92 HZ PHE 92 -0.984 28.822 16.550 736 H CYS 93 H CYS 93 0.301 22.251 16.860 737 HA CYS 93 HA CYS 93 2.076 24.518 17.112 738 HB2 CYS 93 HB2 CYS 93 0.999 23.612 19.108 739 HB3 CYS 93 HB3 CYS 93 1.750 22.046 18.826 740 HG CYS 93 HG CYS 93 2.866 23.811 20.956 741 H GLU 94 H GLU 94 2.196 21.456 15.672 742 HA GLU 94 HA GLU 94 5.118 21.309 15.842 743 HB2 GLU 94 HB2 GLU 94 4.894 19.063 14.922 744 HB3 GLU 94 HB3 GLU 94 3.865 19.255 16.335 745 HG2 GLU 94 HG2 GLU 94 2.136 18.566 15.152 746 HG3 GLU 94 HG3 GLU 94 2.315 19.963 14.092 747 H ALA 95 H ALA 95 2.518 21.986 13.648 748 HA ALA 95 HA ALA 95 4.492 22.442 11.508 749 HB1 ALA 95 HB1 ALA 95 2.806 20.463 11.266 750 HB2 ALA 95 HB2 ALA 95 1.668 21.743 10.842 751 HB3 ALA 95 HB3 ALA 95 3.138 21.519 9.893 752 HA PRO 96 HA PRO 96 3.009 26.570 11.273 753 HB2 PRO 96 HB2 PRO 96 3.377 27.099 8.636 754 HB3 PRO 96 HB3 PRO 96 4.714 26.965 9.784 755 HG2 PRO 96 HG2 PRO 96 3.670 24.935 7.848 756 HG3 PRO 96 HG3 PRO 96 5.350 25.353 8.233 757 HD2 PRO 96 HD2 PRO 96 4.118 23.174 9.264 758 HD3 PRO 96 HD3 PRO 96 5.359 24.080 10.154 759 H GLY 97 H GLY 97 0.779 26.052 11.750 760 HA2 GLY 97 HA2 GLY 97 -1.476 25.940 11.296 761 HA3 GLY 97 HA3 GLY 97 -1.084 27.091 10.028 762 H SER 98 H SER 98 0.265 23.889 9.981 763 HA SER 98 HA SER 98 -0.619 23.340 7.383 764 HB2 SER 98 HB2 SER 98 0.253 21.378 9.519 765 HB3 SER 98 HB3 SER 98 0.166 21.044 7.789 766 HG SER 98 HG SER 98 1.694 23.210 8.725 767 H CYS 99 H CYS 99 -1.625 20.770 7.388 768 HA CYS 99 HA CYS 99 -4.329 21.204 8.466 769 HB2 CYS 99 HB2 CYS 99 -3.507 19.464 6.133 770 HB3 CYS 99 HB3 CYS 99 -5.152 19.798 6.658 771 HG CYS 99 HG CYS 99 -4.176 21.180 4.229 772 H VAL 100 H VAL 100 -5.548 19.125 8.891 773 HA VAL 100 HA VAL 100 -3.757 17.110 10.083 774 HB VAL 100 HB VAL 100 -4.586 17.537 12.097 775 HG11 VAL 100 HG11 VAL 100 -6.562 19.416 10.806 776 HG12 VAL 100 HG12 VAL 100 -6.106 19.384 12.511 777 HG13 VAL 100 HG13 VAL 100 -4.918 19.835 11.287 778 HG21 VAL 100 HG21 VAL 100 -7.335 17.057 10.953 779 HG22 VAL 100 HG22 VAL 100 -6.226 15.793 11.483 780 HG23 VAL 100 HG23 VAL 100 -6.867 16.949 12.650 781 H ALA 101 H ALA 101 -4.242 15.012 9.715 782 HA ALA 101 HA ALA 101 -6.578 14.472 8.014 783 HB1 ALA 101 HB1 ALA 101 -5.369 12.929 6.890 784 HB2 ALA 101 HB2 ALA 101 -4.014 13.882 7.495 785 HB3 ALA 101 HB3 ALA 101 -4.495 12.404 8.329 786 H VAL 102 H VAL 102 -8.263 13.515 8.925 787 HA VAL 102 HA VAL 102 -7.802 11.590 11.101 788 HB VAL 102 HB VAL 102 -9.692 12.404 12.345 789 HG11 VAL 102 HG11 VAL 102 -8.369 14.989 11.788 790 HG12 VAL 102 HG12 VAL 102 -8.628 14.152 13.319 791 HG13 VAL 102 HG13 VAL 102 -7.323 13.646 12.246 792 HG21 VAL 102 HG21 VAL 102 -11.126 13.093 10.525 793 HG22 VAL 102 HG22 VAL 102 -10.916 14.435 11.650 794 HG23 VAL 102 HG23 VAL 102 -10.032 14.417 10.124 795 H HIS 103 H HIS 103 -9.254 9.873 11.221 796 HA HIS 103 HA HIS 103 -10.664 9.324 8.735 797 HB2 HIS 103 HB2 HIS 103 -9.212 7.577 9.606 798 HB3 HIS 103 HB3 HIS 103 -10.086 7.575 11.135 799 HD1 HIS 103 HD1 HIS 103 -12.732 6.872 10.860 800 HD2 HIS 103 HD2 HIS 103 -10.122 5.748 7.829 801 HE1 HIS 103 HE1 HIS 103 -13.906 5.033 9.610 802 H CYS 104 H CYS 104 -12.845 8.967 8.551 803 HA CYS 104 HA CYS 104 -14.535 9.040 10.908 804 HB2 CYS 104 HB2 CYS 104 -15.761 10.977 10.351 805 HB3 CYS 104 HB3 CYS 104 -14.075 11.443 10.160 806 HG CYS 104 HG CYS 104 -16.273 12.152 8.111 807 H VAL 105 H VAL 105 -16.702 8.381 10.499 808 HA VAL 105 HA VAL 105 -16.909 6.560 8.265 809 HB VAL 105 HB VAL 105 -19.314 6.320 9.379 810 HG11 VAL 105 HG11 VAL 105 -18.022 4.798 11.132 811 HG12 VAL 105 HG12 VAL 105 -18.105 4.392 9.417 812 HG13 VAL 105 HG13 VAL 105 -16.666 5.176 10.070 813 HG21 VAL 105 HG21 VAL 105 -18.608 8.313 10.903 814 HG22 VAL 105 HG22 VAL 105 -19.489 6.950 11.593 815 HG23 VAL 105 HG23 VAL 105 -17.743 7.070 11.806 816 H ALA 106 H ALA 106 -19.765 8.190 9.365 817 HA ALA 106 HA ALA 106 -20.100 9.340 6.675 818 HB1 ALA 106 HB1 ALA 106 -22.512 9.161 8.298 819 HB2 ALA 106 HB2 ALA 106 -22.210 8.609 6.650 820 HB3 ALA 106 HB3 ALA 106 -21.745 7.597 8.018 821 H GLY 107 H GLY 107 -20.161 10.009 10.101 822 HA2 GLY 107 HA2 GLY 107 -19.462 12.384 10.562 823 HA3 GLY 107 HA3 GLY 107 -20.787 12.833 9.498 824 H LEU 108 H LEU 108 -22.781 13.076 10.332 825 HA LEU 108 HA LEU 108 -24.088 13.700 12.179 826 HB2 LEU 108 HB2 LEU 108 -24.072 10.685 12.226 827 HB3 LEU 108 HB3 LEU 108 -25.330 11.724 12.892 828 HG LEU 108 HG LEU 108 -24.621 11.534 9.965 829 HD11 LEU 108 HD11 LEU 108 -26.704 10.296 9.730 830 HD12 LEU 108 HD12 LEU 108 -26.941 10.342 11.477 831 HD13 LEU 108 HD13 LEU 108 -25.583 9.448 10.795 832 HD21 LEU 108 HD21 LEU 108 -25.790 13.411 9.773 833 HD22 LEU 108 HD22 LEU 108 -26.169 13.408 11.496 834 HD23 LEU 108 HD23 LEU 108 -27.205 12.539 10.363 835 H GLY 109 H GLY 109 -24.569 11.833 14.412 836 HA2 GLY 109 HA2 GLY 109 -23.821 12.478 16.648 837 HA3 GLY 109 HA3 GLY 109 -23.050 10.963 16.202 838 H ARG 110 H ARG 110 -20.864 10.898 15.846 839 HA ARG 110 HA ARG 110 -19.153 12.488 17.195 840 HB2 ARG 110 HB2 ARG 110 -17.406 11.831 15.441 841 HB3 ARG 110 HB3 ARG 110 -18.252 10.528 16.266 842 HG2 ARG 110 HG2 ARG 110 -18.690 9.695 14.258 843 HG3 ARG 110 HG3 ARG 110 -19.814 11.038 14.038 844 HD2 ARG 110 HD2 ARG 110 -18.181 10.786 12.184 845 HD3 ARG 110 HD3 ARG 110 -18.116 12.360 12.977 846 HE ARG 110 HE ARG 110 -16.240 10.394 13.970 847 HH11 ARG 110 HH11 ARG 110 -16.816 13.018 11.756 848 HH12 ARG 110 HH12 ARG 110 -15.137 13.397 11.564 849 HH21 ARG 110 HH21 ARG 110 -14.026 10.883 13.726 850 HH22 ARG 110 HH22 ARG 110 -13.550 12.182 12.684 851 H ALA 111 H ALA 111 -20.009 12.948 13.768 852 HA ALA 111 HA ALA 111 -18.562 14.997 12.920 853 HB1 ALA 111 HB1 ALA 111 -21.404 14.328 12.582 854 HB2 ALA 111 HB2 ALA 111 -20.965 15.984 12.164 855 HB3 ALA 111 HB3 ALA 111 -20.155 14.632 11.374 856 HA PRO 112 HA PRO 112 -20.856 18.551 15.144 857 HB2 PRO 112 HB2 PRO 112 -23.085 17.979 16.585 858 HB3 PRO 112 HB3 PRO 112 -23.124 18.323 14.852 859 HG2 PRO 112 HG2 PRO 112 -23.172 15.682 16.260 860 HG3 PRO 112 HG3 PRO 112 -24.131 16.227 14.872 861 HD2 PRO 112 HD2 PRO 112 -21.953 14.639 14.606 862 HD3 PRO 112 HD3 PRO 112 -22.422 15.832 13.377 863 H VAL 113 H VAL 113 -21.078 15.512 16.957 864 HA VAL 113 HA VAL 113 -20.769 16.519 19.536 865 HB VAL 113 HB VAL 113 -19.976 13.878 18.328 866 HG11 VAL 113 HG11 VAL 113 -19.716 13.100 20.705 867 HG12 VAL 113 HG12 VAL 113 -18.435 14.160 20.116 868 HG13 VAL 113 HG13 VAL 113 -19.688 14.797 21.181 869 HG21 VAL 113 HG21 VAL 113 -22.207 14.780 20.141 870 HG22 VAL 113 HG22 VAL 113 -22.340 14.190 18.485 871 HG23 VAL 113 HG23 VAL 113 -21.860 13.089 19.777 872 H LEU 114 H LEU 114 -18.222 15.118 17.462 873 HA LEU 114 HA LEU 114 -16.065 15.781 19.098 874 HB2 LEU 114 HB2 LEU 114 -16.379 15.187 16.193 875 HB3 LEU 114 HB3 LEU 114 -14.830 15.790 16.780 876 HG LEU 114 HG LEU 114 -14.978 13.306 16.558 877 HD11 LEU 114 HD11 LEU 114 -13.933 12.844 18.732 878 HD12 LEU 114 HD12 LEU 114 -14.485 14.412 19.319 879 HD13 LEU 114 HD13 LEU 114 -13.319 14.326 17.998 880 HD21 LEU 114 HD21 LEU 114 -16.362 12.009 17.869 881 HD22 LEU 114 HD22 LEU 114 -17.413 13.372 17.481 882 HD23 LEU 114 HD23 LEU 114 -16.618 13.290 19.054 883 H VAL 115 H VAL 115 -17.135 17.484 16.148 884 HA VAL 115 HA VAL 115 -15.442 19.662 16.307 885 HB VAL 115 HB VAL 115 -17.004 20.875 14.914 886 HG11 VAL 115 HG11 VAL 115 -15.828 19.324 13.641 887 HG12 VAL 115 HG12 VAL 115 -16.675 17.949 14.354 888 HG13 VAL 115 HG13 VAL 115 -17.508 19.005 13.212 889 HG21 VAL 115 HG21 VAL 115 -18.981 18.771 15.775 890 HG22 VAL 115 HG22 VAL 115 -19.076 20.513 16.033 891 HG23 VAL 115 HG23 VAL 115 -19.242 19.852 14.406 892 H ALA 116 H ALA 116 -18.451 19.059 18.010 893 HA ALA 116 HA ALA 116 -18.889 21.654 19.005 894 HB1 ALA 116 HB1 ALA 116 -20.733 20.313 19.251 895 HB2 ALA 116 HB2 ALA 116 -19.789 18.925 19.792 896 HB3 ALA 116 HB3 ALA 116 -20.080 20.274 20.889 897 H LEU 117 H LEU 117 -17.072 18.908 20.312 898 HA LEU 117 HA LEU 117 -16.441 20.023 22.805 899 HB2 LEU 117 HB2 LEU 117 -16.137 17.627 21.992 900 HB3 LEU 117 HB3 LEU 117 -14.634 18.185 21.260 901 HG LEU 117 HG LEU 117 -14.371 17.037 23.464 902 HD11 LEU 117 HD11 LEU 117 -12.646 18.440 24.180 903 HD12 LEU 117 HD12 LEU 117 -13.486 19.897 23.651 904 HD13 LEU 117 HD13 LEU 117 -12.804 18.791 22.458 905 HD21 LEU 117 HD21 LEU 117 -15.466 17.677 25.296 906 HD22 LEU 117 HD22 LEU 117 -16.492 18.634 24.226 907 HD23 LEU 117 HD23 LEU 117 -15.102 19.380 25.016 908 H ALA 118 H ALA 118 -14.519 19.948 19.805 909 HA ALA 118 HA ALA 118 -12.418 21.556 20.811 910 HB1 ALA 118 HB1 ALA 118 -12.468 19.993 18.750 911 HB2 ALA 118 HB2 ALA 118 -13.082 21.410 17.897 912 HB3 ALA 118 HB3 ALA 118 -11.505 21.469 18.684 913 H LEU 119 H LEU 119 -15.370 22.288 19.020 914 HA LEU 119 HA LEU 119 -14.870 24.950 18.381 915 HB2 LEU 119 HB2 LEU 119 -16.749 23.896 17.418 916 HB3 LEU 119 HB3 LEU 119 -17.412 23.471 18.995 917 HG LEU 119 HG LEU 119 -18.104 25.703 19.404 918 HD11 LEU 119 HD11 LEU 119 -17.651 27.425 17.516 919 HD12 LEU 119 HD12 LEU 119 -16.303 26.362 17.112 920 HD13 LEU 119 HD13 LEU 119 -16.397 27.096 18.713 921 HD21 LEU 119 HD21 LEU 119 -19.475 24.330 17.828 922 HD22 LEU 119 HD22 LEU 119 -18.688 25.176 16.495 923 HD23 LEU 119 HD23 LEU 119 -19.678 26.073 17.647 924 H ILE 120 H ILE 120 -16.507 23.632 21.257 925 HA ILE 120 HA ILE 120 -16.940 26.082 22.545 926 HB ILE 120 HB ILE 120 -16.907 23.243 23.389 927 HG12 ILE 120 HG12 ILE 120 -19.112 23.854 24.276 928 HG13 ILE 120 HG13 ILE 120 -18.800 25.547 23.910 929 HG21 ILE 120 HG21 ILE 120 -16.535 25.533 25.299 930 HG22 ILE 120 HG22 ILE 120 -17.249 23.997 25.787 931 HG23 ILE 120 HG23 ILE 120 -15.596 24.046 25.175 932 HD11 ILE 120 HD11 ILE 120 -20.258 24.512 22.257 933 HD12 ILE 120 HD12 ILE 120 -18.734 25.032 21.537 934 HD13 ILE 120 HD13 ILE 120 -19.006 23.326 21.890 935 H GLU 121 H GLU 121 -14.328 23.703 23.026 936 HA GLU 121 HA GLU 121 -12.884 25.099 24.945 937 HB2 GLU 121 HB2 GLU 121 -11.737 23.344 22.768 938 HB3 GLU 121 HB3 GLU 121 -10.975 23.738 24.303 939 HG2 GLU 121 HG2 GLU 121 -13.644 22.449 24.375 940 HG3 GLU 121 HG3 GLU 121 -12.260 21.464 23.906 941 H SER 122 H SER 122 -12.991 25.490 21.471 942 HA SER 122 HA SER 122 -10.689 27.027 21.093 943 HB2 SER 122 HB2 SER 122 -11.415 27.185 18.960 944 HB3 SER 122 HB3 SER 122 -12.711 26.105 19.474 945 HG SER 122 HG SER 122 -13.745 27.812 18.603 946 H GLY 123 H GLY 123 -13.696 27.811 22.581 947 HA2 GLY 123 HA2 GLY 123 -13.478 29.807 24.082 948 HA3 GLY 123 HA3 GLY 123 -12.909 30.659 22.654 949 H MET 124 H MET 124 -15.407 28.367 22.150 950 HA MET 124 HA MET 124 -17.299 30.567 21.716 951 HB2 MET 124 HB2 MET 124 -16.582 28.486 20.075 952 HB3 MET 124 HB3 MET 124 -18.078 27.896 20.786 953 HG2 MET 124 HG2 MET 124 -18.905 28.973 18.965 954 HG3 MET 124 HG3 MET 124 -18.949 30.285 20.140 955 HE1 MET 124 HE1 MET 124 -17.254 32.194 20.290 956 HE2 MET 124 HE2 MET 124 -16.786 32.941 18.762 957 HE3 MET 124 HE3 MET 124 -18.482 32.577 19.083 958 H LYS 125 H LYS 125 -19.499 30.349 22.381 959 HA LYS 125 HA LYS 125 -19.771 29.242 24.998 960 HB2 LYS 125 HB2 LYS 125 -22.313 29.920 23.855 961 HB3 LYS 125 HB3 LYS 125 -21.422 30.738 25.131 962 HG2 LYS 125 HG2 LYS 125 -20.113 31.904 23.336 963 HG3 LYS 125 HG3 LYS 125 -21.247 31.221 22.169 964 HD2 LYS 125 HD2 LYS 125 -22.173 33.298 22.586 965 HD3 LYS 125 HD3 LYS 125 -23.057 32.269 23.715 966 HE2 LYS 125 HE2 LYS 125 -21.135 32.919 25.358 967 HE3 LYS 125 HE3 LYS 125 -20.904 34.271 24.251 968 HZ1 LYS 125 HZ1 LYS 125 -22.929 35.167 24.775 969 HZ2 LYS 125 HZ2 LYS 125 -22.506 34.489 26.265 970 HZ3 LYS 125 HZ3 LYS 125 -23.602 33.691 25.254 971 H TYR 126 H TYR 126 -20.757 27.410 25.667 972 HA TYR 126 HA TYR 126 -20.967 25.202 24.013 973 HB2 TYR 126 HB2 TYR 126 -20.955 24.443 26.143 974 HB3 TYR 126 HB3 TYR 126 -21.779 25.871 26.760 975 HD1 TYR 126 HD2 TYR 126 -22.472 22.799 24.750 976 HD2 TYR 126 HD1 TYR 126 -23.942 25.647 27.548 977 HE1 TYR 126 HE2 TYR 126 -24.545 21.496 24.978 978 HE2 TYR 126 HE1 TYR 126 -26.019 24.351 27.785 979 HH TYR 126 HH TYR 126 -26.424 21.393 27.140 980 H GLU 127 H GLU 127 -23.645 27.176 25.301 981 HA GLU 127 HA GLU 127 -25.709 25.882 23.937 982 HB2 GLU 127 HB2 GLU 127 -25.583 28.799 24.723 983 HB3 GLU 127 HB3 GLU 127 -27.041 27.880 24.375 984 HG2 GLU 127 HG2 GLU 127 -25.986 26.356 26.320 985 HG3 GLU 127 HG3 GLU 127 -25.367 27.936 26.794 986 H ASP 128 H ASP 128 -24.062 28.923 23.065 987 HA ASP 128 HA ASP 128 -25.296 29.411 20.651 988 HB2 ASP 128 HB2 ASP 128 -23.412 30.707 21.988 989 HB3 ASP 128 HB3 ASP 128 -22.354 29.886 20.844 990 H ALA 129 H ALA 129 -22.237 27.634 21.113 991 HA ALA 129 HA ALA 129 -21.830 26.865 18.481 992 HB1 ALA 129 HB1 ALA 129 -20.800 24.748 19.811 993 HB2 ALA 129 HB2 ALA 129 -19.990 26.307 19.649 994 HB3 ALA 129 HB3 ALA 129 -20.903 25.936 21.112 995 H ILE 130 H ILE 130 -23.519 25.070 21.052 996 HA ILE 130 HA ILE 130 -24.211 22.813 19.601 997 HB ILE 130 HB ILE 130 -25.704 24.196 21.826 998 HG12 ILE 130 HG12 ILE 130 -24.050 23.306 23.055 999 HG13 ILE 130 HG13 ILE 130 -24.725 21.727 22.670 1000 HG21 ILE 130 HG21 ILE 130 -26.907 22.032 22.093 1001 HG22 ILE 130 HG22 ILE 130 -27.318 22.904 20.617 1002 HG23 ILE 130 HG23 ILE 130 -26.230 21.518 20.548 1003 HD11 ILE 130 HD11 ILE 130 -22.523 23.162 21.211 1004 HD12 ILE 130 HD12 ILE 130 -22.386 21.706 22.197 1005 HD13 ILE 130 HD13 ILE 130 -23.264 21.657 20.668 1006 H GLN 131 H GLN 131 -26.229 25.707 20.138 1007 HA GLN 131 HA GLN 131 -28.391 25.032 18.581 1008 HB2 GLN 131 HB2 GLN 131 -27.115 27.670 19.224 1009 HB3 GLN 131 HB3 GLN 131 -28.501 27.597 18.145 1010 HG2 GLN 131 HG2 GLN 131 -28.601 27.819 20.867 1011 HG3 GLN 131 HG3 GLN 131 -29.927 27.307 19.824 1012 HE21 GLN 131 HE21 GLN 131 -27.586 26.345 22.157 1013 HE22 GLN 131 HE22 GLN 131 -28.137 24.721 22.360 1014 H PHE 132 H PHE 132 -25.279 26.315 17.562 1015 HA PHE 132 HA PHE 132 -25.961 26.871 14.885 1016 HB2 PHE 132 HB2 PHE 132 -23.869 27.591 16.183 1017 HB3 PHE 132 HB3 PHE 132 -23.222 26.001 15.791 1018 HD1 PHE 132 HD1 PHE 132 -25.236 28.385 13.759 1019 HD2 PHE 132 HD2 PHE 132 -21.546 26.318 14.241 1020 HE1 PHE 132 HE1 PHE 132 -24.478 29.237 11.579 1021 HE2 PHE 132 HE2 PHE 132 -20.782 27.168 12.062 1022 HZ PHE 132 HZ PHE 132 -22.248 28.629 10.728 1023 H ILE 133 H ILE 133 -23.919 24.183 16.033 1024 HA ILE 133 HA ILE 133 -24.141 22.685 13.667 1025 HB ILE 133 HB ILE 133 -23.243 20.801 14.954 1026 HG12 ILE 133 HG12 ILE 133 -23.186 22.503 17.418 1027 HG13 ILE 133 HG13 ILE 133 -24.634 21.576 17.044 1028 HG21 ILE 133 HG21 ILE 133 -21.792 23.244 15.898 1029 HG22 ILE 133 HG22 ILE 133 -21.136 21.713 15.320 1030 HG23 ILE 133 HG23 ILE 133 -21.872 22.842 14.183 1031 HD11 ILE 133 HD11 ILE 133 -23.646 19.593 17.499 1032 HD12 ILE 133 HD12 ILE 133 -22.054 20.136 16.968 1033 HD13 ILE 133 HD13 ILE 133 -22.671 20.623 18.547 1034 H ARG 134 H ARG 134 -26.365 23.186 16.180 1035 HA ARG 134 HA ARG 134 -27.768 20.676 15.840 1036 HB2 ARG 134 HB2 ARG 134 -27.768 21.634 18.047 1037 HB3 ARG 134 HB3 ARG 134 -28.393 23.161 17.437 1038 HG2 ARG 134 HG2 ARG 134 -30.495 22.463 17.589 1039 HG3 ARG 134 HG3 ARG 134 -30.129 20.945 16.766 1040 HD2 ARG 134 HD2 ARG 134 -29.107 20.189 18.976 1041 HD3 ARG 134 HD3 ARG 134 -29.908 21.587 19.693 1042 HE ARG 134 HE ARG 134 -31.660 19.901 18.157 1043 HH11 ARG 134 HH11 ARG 134 -30.217 20.455 21.276 1044 HH12 ARG 134 HH12 ARG 134 -31.457 19.613 22.145 1045 HH21 ARG 134 HH21 ARG 134 -33.300 18.790 19.289 1046 HH22 ARG 134 HH22 ARG 134 -33.210 18.666 21.014 1047 H GLN 135 H GLN 135 -28.292 24.094 15.053 1048 HA GLN 135 HA GLN 135 -30.830 23.806 13.891 1049 HB2 GLN 135 HB2 GLN 135 -30.637 26.008 13.265 1050 HB3 GLN 135 HB3 GLN 135 -29.417 25.937 14.529 1051 HG2 GLN 135 HG2 GLN 135 -27.776 25.416 12.620 1052 HG3 GLN 135 HG3 GLN 135 -29.049 26.025 11.563 1053 HE21 GLN 135 HE21 GLN 135 -27.676 27.727 10.932 1054 HE22 GLN 135 HE22 GLN 135 -27.412 29.092 11.957 1055 H LYS 136 H LYS 136 -27.605 23.328 12.614 1056 HA LYS 136 HA LYS 136 -28.492 23.077 9.883 1057 HB2 LYS 136 HB2 LYS 136 -26.139 22.338 9.476 1058 HB3 LYS 136 HB3 LYS 136 -26.272 23.913 10.247 1059 HG2 LYS 136 HG2 LYS 136 -25.289 23.217 12.150 1060 HG3 LYS 136 HG3 LYS 136 -26.018 21.611 12.068 1061 HD2 LYS 136 HD2 LYS 136 -23.941 22.351 10.062 1062 HD3 LYS 136 HD3 LYS 136 -23.432 21.952 11.704 1063 HE2 LYS 136 HE2 LYS 136 -24.796 19.837 11.473 1064 HE3 LYS 136 HE3 LYS 136 -24.950 20.225 9.761 1065 HZ1 LYS 136 HZ1 LYS 136 -22.787 19.014 11.116 1066 HZ2 LYS 136 HZ2 LYS 136 -22.261 20.442 10.377 1067 HZ3 LYS 136 HZ3 LYS 136 -23.008 19.238 9.453 1068 H ARG 137 H ARG 137 -28.887 21.149 12.488 1069 HA ARG 137 HA ARG 137 -29.686 18.901 10.993 1070 HB2 ARG 137 HB2 ARG 137 -26.983 18.912 11.226 1071 HB3 ARG 137 HB3 ARG 137 -27.426 18.030 12.682 1072 HG2 ARG 137 HG2 ARG 137 -27.110 16.373 11.082 1073 HG3 ARG 137 HG3 ARG 137 -28.862 16.578 11.143 1074 HD2 ARG 137 HD2 ARG 137 -28.274 16.466 8.850 1075 HD3 ARG 137 HD3 ARG 137 -28.632 18.157 9.196 1076 HE ARG 137 HE ARG 137 -25.851 17.544 9.461 1077 HH11 ARG 137 HH11 ARG 137 -28.368 18.325 7.187 1078 HH12 ARG 137 HH12 ARG 137 -27.281 18.996 6.016 1079 HH21 ARG 137 HH21 ARG 137 -24.410 18.424 7.927 1080 HH22 ARG 137 HH22 ARG 137 -25.030 19.050 6.438 1081 H ARG 138 H ARG 138 -31.462 18.547 12.163 1082 HA ARG 138 HA ARG 138 -31.971 19.144 14.777 1083 HB2 ARG 138 HB2 ARG 138 -33.094 17.226 12.832 1084 HB3 ARG 138 HB3 ARG 138 -33.455 16.885 14.519 1085 HG2 ARG 138 HG2 ARG 138 -35.205 18.219 13.474 1086 HG3 ARG 138 HG3 ARG 138 -34.416 19.101 14.783 1087 HD2 ARG 138 HD2 ARG 138 -33.232 20.474 13.287 1088 HD3 ARG 138 HD3 ARG 138 -33.563 19.410 11.921 1089 HE ARG 138 HE ARG 138 -35.519 20.533 11.598 1090 HH11 ARG 138 HH11 ARG 138 -34.462 21.067 14.871 1091 HH12 ARG 138 HH12 ARG 138 -35.721 22.202 15.231 1092 HH21 ARG 138 HH21 ARG 138 -37.180 22.026 12.058 1093 HH22 ARG 138 HH22 ARG 138 -37.267 22.746 13.630 1094 H GLY 139 H GLY 139 -31.282 18.451 16.695 1095 HA2 GLY 139 HA2 GLY 139 -30.063 17.261 18.242 1096 HA3 GLY 139 HA3 GLY 139 -30.880 15.870 17.543 1097 H ALA 140 H ALA 140 -28.253 18.080 16.567 1098 HA ALA 140 HA ALA 140 -26.862 16.005 15.174 1099 HB1 ALA 140 HB1 ALA 140 -25.334 18.402 15.908 1100 HB2 ALA 140 HB2 ALA 140 -25.599 17.660 14.330 1101 HB3 ALA 140 HB3 ALA 140 -26.830 18.712 15.027 1102 H ILE 141 H ILE 141 -26.043 17.906 18.084 1103 HA ILE 141 HA ILE 141 -24.021 15.938 18.804 1104 HB ILE 141 HB ILE 141 -23.209 18.093 19.161 1105 HG12 ILE 141 HG12 ILE 141 -24.247 17.749 21.930 1106 HG13 ILE 141 HG13 ILE 141 -23.329 16.415 21.239 1107 HG21 ILE 141 HG21 ILE 141 -25.975 18.724 19.614 1108 HG22 ILE 141 HG22 ILE 141 -24.969 19.431 20.876 1109 HG23 ILE 141 HG23 ILE 141 -24.640 19.791 19.181 1110 HD11 ILE 141 HD11 ILE 141 -21.414 17.787 20.945 1111 HD12 ILE 141 HD12 ILE 141 -22.323 19.243 21.351 1112 HD13 ILE 141 HD13 ILE 141 -21.999 18.032 22.591 1113 H ASN 142 H ASN 142 -26.431 17.658 20.784 1114 HA ASN 142 HA ASN 142 -27.441 16.950 22.736 1115 HB2 ASN 142 HB2 ASN 142 -28.718 16.084 20.505 1116 HB3 ASN 142 HB3 ASN 142 -28.470 14.554 21.341 1117 HD21 ASN 142 HD21 ASN 142 -29.293 17.864 22.330 1118 HD22 ASN 142 HD22 ASN 142 -30.676 17.420 23.265 1119 H SER 143 H SER 143 -28.240 14.277 23.409 1120 HA SER 143 HA SER 143 -27.510 12.456 24.563 1121 HB2 SER 143 HB2 SER 143 -24.836 12.623 23.208 1122 HB3 SER 143 HB3 SER 143 -25.751 11.194 23.688 1123 HG SER 143 HG SER 143 -27.099 11.478 21.971 1124 H LYS 144 H LYS 144 -25.087 11.744 25.636 1125 HA LYS 144 HA LYS 144 -24.906 13.271 27.931 1126 HB2 LYS 144 HB2 LYS 144 -22.677 11.638 26.704 1127 HB3 LYS 144 HB3 LYS 144 -22.822 12.099 28.395 1128 HG2 LYS 144 HG2 LYS 144 -24.020 10.291 28.820 1129 HG3 LYS 144 HG3 LYS 144 -25.203 10.747 27.591 1130 HD2 LYS 144 HD2 LYS 144 -23.277 9.819 25.991 1131 HD3 LYS 144 HD3 LYS 144 -22.917 8.866 27.433 1132 HE2 LYS 144 HE2 LYS 144 -24.463 7.457 26.615 1133 HE3 LYS 144 HE3 LYS 144 -25.617 8.608 27.286 1134 HZ1 LYS 144 HZ1 LYS 144 -26.353 9.046 25.260 1135 HZ2 LYS 144 HZ2 LYS 144 -25.328 7.856 24.633 1136 HZ3 LYS 144 HZ3 LYS 144 -24.803 9.461 24.724 1137 H GLN 145 H GLN 145 -23.535 13.858 24.825 1138 HA GLN 145 HA GLN 145 -21.353 15.473 25.492 1139 HB2 GLN 145 HB2 GLN 145 -23.113 15.978 23.104 1140 HB3 GLN 145 HB3 GLN 145 -21.378 16.221 23.252 1141 HG2 GLN 145 HG2 GLN 145 -22.906 13.689 22.859 1142 HG3 GLN 145 HG3 GLN 145 -21.524 14.316 21.962 1143 HE21 GLN 145 HE21 GLN 145 -19.700 14.841 23.843 1144 HE22 GLN 145 HE22 GLN 145 -19.258 13.406 24.697 1145 H LEU 146 H LEU 146 -24.689 16.445 24.694 1146 HA LEU 146 HA LEU 146 -24.363 19.181 25.150 1147 HB2 LEU 146 HB2 LEU 146 -26.434 17.490 24.411 1148 HB3 LEU 146 HB3 LEU 146 -26.987 18.213 25.920 1149 HG LEU 146 HG LEU 146 -26.171 20.425 24.617 1150 HD11 LEU 146 HD11 LEU 146 -27.545 19.393 22.321 1151 HD12 LEU 146 HD12 LEU 146 -26.087 18.450 22.631 1152 HD13 LEU 146 HD13 LEU 146 -25.978 20.197 22.421 1153 HD21 LEU 146 HD21 LEU 146 -28.697 20.347 23.752 1154 HD22 LEU 146 HD22 LEU 146 -28.273 20.608 25.444 1155 HD23 LEU 146 HD23 LEU 146 -28.751 19.002 24.892 1156 H THR 147 H THR 147 -25.676 16.695 27.341 1157 HA THR 147 HA THR 147 -26.003 18.379 29.563 1158 HB THR 147 HB THR 147 -26.224 16.392 30.899 1159 HG1 THR 147 HG1 THR 147 -25.756 14.323 29.621 1160 HG21 THR 147 HG21 THR 147 -27.900 15.161 29.643 1161 HG22 THR 147 HG22 THR 147 -27.285 15.824 28.129 1162 HG23 THR 147 HG23 THR 147 -28.049 16.886 29.311 1163 H TYR 148 H TYR 148 -23.224 16.650 28.336 1164 HA TYR 148 HA TYR 148 -21.604 16.744 30.630 1165 HB2 TYR 148 HB2 TYR 148 -20.905 15.310 28.884 1166 HB3 TYR 148 HB3 TYR 148 -20.974 16.599 27.688 1167 HD1 TYR 148 HD2 TYR 148 -19.322 16.321 31.032 1168 HD2 TYR 148 HD1 TYR 148 -18.860 17.001 26.857 1169 HE1 TYR 148 HE2 TYR 148 -16.926 16.759 31.374 1170 HE2 TYR 148 HE1 TYR 148 -16.463 17.440 27.188 1171 HH TYR 148 HH TYR 148 -14.897 17.980 28.816 1172 H LEU 149 H LEU 149 -21.586 18.887 27.777 1173 HA LEU 149 HA LEU 149 -19.787 20.759 28.889 1174 HB2 LEU 149 HB2 LEU 149 -20.948 20.337 26.427 1175 HB3 LEU 149 HB3 LEU 149 -21.666 21.859 26.952 1176 HG LEU 149 HG LEU 149 -19.753 22.347 25.605 1177 HD11 LEU 149 HD11 LEU 149 -20.181 23.458 27.978 1178 HD12 LEU 149 HD12 LEU 149 -18.820 23.916 26.954 1179 HD13 LEU 149 HD13 LEU 149 -18.579 22.789 28.289 1180 HD21 LEU 149 HD21 LEU 149 -18.558 20.145 27.141 1181 HD22 LEU 149 HD22 LEU 149 -17.491 21.516 26.840 1182 HD23 LEU 149 HD23 LEU 149 -18.252 20.677 25.488 1183 H GLU 150 H GLU 150 -23.167 20.254 29.290 1184 HA GLU 150 HA GLU 150 -24.018 22.831 29.978 1185 HB2 GLU 150 HB2 GLU 150 -25.399 20.681 29.606 1186 HB3 GLU 150 HB3 GLU 150 -25.080 20.349 31.303 1187 HG2 GLU 150 HG2 GLU 150 -26.294 22.934 30.393 1188 HG3 GLU 150 HG3 GLU 150 -27.268 21.502 30.720 1189 H LYS 151 H LYS 151 -22.405 20.337 31.856 1190 HA LYS 151 HA LYS 151 -22.354 22.153 34.172 1191 HB2 LYS 151 HB2 LYS 151 -22.454 19.198 33.899 1192 HB3 LYS 151 HB3 LYS 151 -21.493 19.838 35.225 1193 HG2 LYS 151 HG2 LYS 151 -23.413 21.027 36.090 1194 HG3 LYS 151 HG3 LYS 151 -24.389 20.491 34.720 1195 HD2 LYS 151 HD2 LYS 151 -23.026 18.439 36.397 1196 HD3 LYS 151 HD3 LYS 151 -24.471 19.229 37.032 1197 HE2 LYS 151 HE2 LYS 151 -24.734 18.345 34.259 1198 HE3 LYS 151 HE3 LYS 151 -24.439 17.029 35.395 1199 HZ1 LYS 151 HZ1 LYS 151 -26.801 18.580 34.999 1200 HZ2 LYS 151 HZ2 LYS 151 -26.319 18.592 36.620 1201 HZ3 LYS 151 HZ3 LYS 151 -26.601 17.121 35.832 1202 H TYR 152 H TYR 152 -20.420 20.371 31.896 1203 HA TYR 152 HA TYR 152 -17.943 20.430 33.190 1204 HB2 TYR 152 HB2 TYR 152 -18.302 19.099 31.189 1205 HB3 TYR 152 HB3 TYR 152 -18.578 20.552 30.234 1206 HD1 TYR 152 HD1 TYR 152 -15.938 19.344 32.600 1207 HD2 TYR 152 HD2 TYR 152 -16.843 21.085 28.825 1208 HE1 TYR 152 HE1 TYR 152 -13.536 19.451 32.081 1209 HE2 TYR 152 HE2 TYR 152 -14.444 21.196 28.294 1210 HH TYR 152 HH TYR 152 -11.994 20.107 30.625 1211 H ARG 153 H ARG 153 -16.138 21.824 32.931 1212 HA ARG 153 HA ARG 153 -16.819 24.565 32.095 1213 HB2 ARG 153 HB2 ARG 153 -15.887 25.499 33.991 1214 HB3 ARG 153 HB3 ARG 153 -16.609 24.037 34.650 1215 HG2 ARG 153 HG2 ARG 153 -14.562 23.915 35.622 1216 HG3 ARG 153 HG3 ARG 153 -14.218 23.046 34.124 1217 HD2 ARG 153 HD2 ARG 153 -12.672 24.543 33.581 1218 HD3 ARG 153 HD3 ARG 153 -13.864 25.838 33.672 1219 HE ARG 153 HE ARG 153 -13.043 26.412 35.738 1220 HH11 ARG 153 HH11 ARG 153 -11.791 23.298 34.811 1221 HH12 ARG 153 HH12 ARG 153 -10.654 23.221 36.117 1222 HH21 ARG 153 HH21 ARG 153 -11.551 26.322 37.461 1223 HH22 ARG 153 HH22 ARG 153 -10.519 24.941 37.624 1224 HA PRO 154 HA PRO 154 -13.275 24.162 29.489 1225 HB2 PRO 154 HB2 PRO 154 -12.986 26.787 28.860 1226 HB3 PRO 154 HB3 PRO 154 -14.260 25.770 28.176 1227 HG2 PRO 154 HG2 PRO 154 -14.405 27.720 30.443 1228 HG3 PRO 154 HG3 PRO 154 -15.552 27.460 29.116 1229 HD2 PRO 154 HD2 PRO 154 -15.944 26.450 31.597 1230 HD3 PRO 154 HD3 PRO 154 -16.504 25.623 30.130 1231 H LYS 155 H LYS 155 -11.257 23.847 30.160 1232 HA LYS 155 HA LYS 155 -10.191 25.316 32.411 1233 HB2 LYS 155 HB2 LYS 155 -8.349 23.771 32.333 1234 HB3 LYS 155 HB3 LYS 155 -9.841 22.864 32.122 1235 HG2 LYS 155 HG2 LYS 155 -9.019 23.535 29.541 1236 HG3 LYS 155 HG3 LYS 155 -7.552 23.050 30.395 1237 HD2 LYS 155 HD2 LYS 155 -10.061 21.408 30.542 1238 HD3 LYS 155 HD3 LYS 155 -8.925 21.231 29.202 1239 HE2 LYS 155 HE2 LYS 155 -7.218 20.464 30.595 1240 HE3 LYS 155 HE3 LYS 155 -7.989 21.103 32.046 1241 HZ1 LYS 155 HZ1 LYS 155 -9.162 19.245 32.312 1242 HZ2 LYS 155 HZ2 LYS 155 -8.113 18.532 31.194 1243 HZ3 LYS 155 HZ3 LYS 155 -9.598 19.159 30.679 1244 H GLN 156 H GLN 156 -10.579 26.293 29.438 1245 HA GLN 156 HA GLN 156 -9.621 27.909 28.152 1246 HB2 GLN 156 HB2 GLN 156 -9.087 28.878 30.443 1247 HB3 GLN 156 HB3 GLN 156 -7.486 28.172 30.264 1248 HG2 GLN 156 HG2 GLN 156 -8.006 29.605 27.900 1249 HG3 GLN 156 HG3 GLN 156 -8.497 30.636 29.243 1250 HE21 GLN 156 HE21 GLN 156 -6.739 30.074 31.179 1251 HE22 GLN 156 HE22 GLN 156 -5.129 30.460 30.686 1252 H ARG 157 H ARG 157 -8.872 25.102 27.939 1253 HA ARG 157 HA ARG 157 -6.090 24.865 27.436 1254 HB2 ARG 157 HB2 ARG 157 -8.298 23.141 27.507 1255 HB3 ARG 157 HB3 ARG 157 -7.687 23.038 25.862 1256 HG2 ARG 157 HG2 ARG 157 -5.559 22.320 26.596 1257 HG3 ARG 157 HG3 ARG 157 -5.924 22.729 28.273 1258 HD2 ARG 157 HD2 ARG 157 -6.901 20.757 28.634 1259 HD3 ARG 157 HD3 ARG 157 -7.858 20.880 27.158 1260 HE ARG 157 HE ARG 157 -6.315 19.568 26.084 1261 HH11 ARG 157 HH11 ARG 157 -4.986 20.676 29.105 1262 HH12 ARG 157 HH12 ARG 157 -3.592 19.651 29.017 1263 HH21 ARG 157 HH21 ARG 157 -4.483 18.214 25.957 1264 HH22 ARG 157 HH22 ARG 157 -3.306 18.252 27.226 1265 H LEU 158 H LEU 158 -8.861 25.086 25.199 1266 HA LEU 158 HA LEU 158 -7.033 25.752 23.023 1267 HB2 LEU 158 HB2 LEU 158 -9.491 24.372 23.213 1268 HB3 LEU 158 HB3 LEU 158 -9.780 25.812 22.238 1269 HG LEU 158 HG LEU 158 -9.226 23.768 20.927 1270 HD11 LEU 158 HD11 LEU 158 -7.877 26.368 20.761 1271 HD12 LEU 158 HD12 LEU 158 -8.806 25.487 19.548 1272 HD13 LEU 158 HD13 LEU 158 -7.115 25.073 19.835 1273 HD21 LEU 158 HD21 LEU 158 -7.194 22.702 21.045 1274 HD22 LEU 158 HD22 LEU 158 -7.461 23.108 22.741 1275 HD23 LEU 158 HD23 LEU 158 -6.380 24.095 21.756 1276 H ARG 159 H ARG 159 -6.856 27.776 24.660 1277 HA ARG 159 HA ARG 159 -6.890 30.070 24.549 1278 HB2 ARG 159 HB2 ARG 159 -7.712 29.493 22.066 1279 HB3 ARG 159 HB3 ARG 159 -9.204 30.184 22.690 1280 HG2 ARG 159 HG2 ARG 159 -8.372 32.164 22.133 1281 HG3 ARG 159 HG3 ARG 159 -7.268 31.979 23.497 1282 HD2 ARG 159 HD2 ARG 159 -6.087 30.507 21.469 1283 HD3 ARG 159 HD3 ARG 159 -6.730 31.928 20.646 1284 HE ARG 159 HE ARG 159 -5.166 33.220 21.717 1285 HH11 ARG 159 HH11 ARG 159 -5.315 30.090 23.232 1286 HH12 ARG 159 HH12 ARG 159 -3.918 30.357 24.221 1287 HH21 ARG 159 HH21 ARG 159 -3.325 33.584 23.013 1288 HH22 ARG 159 HH22 ARG 159 -2.787 32.345 24.096 1289 H PHE 160 H PHE 160 -8.031 31.676 25.650 1290 HA PHE 160 HA PHE 160 -9.788 30.885 27.623 1291 HB2 PHE 160 HB2 PHE 160 -8.592 32.968 27.812 1292 HB3 PHE 160 HB3 PHE 160 -9.400 33.616 26.388 1293 HD1 PHE 160 HD1 PHE 160 -10.640 31.889 29.454 1294 HD2 PHE 160 HD2 PHE 160 -10.766 35.357 26.989 1295 HE1 PHE 160 HE1 PHE 160 -12.394 32.843 30.892 1296 HE2 PHE 160 HE2 PHE 160 -12.520 36.317 28.423 1297 HZ PHE 160 HZ PHE 160 -13.336 35.060 30.377 1298 H LYS 161 H LYS 161 -11.951 30.680 27.830 1299 HA LYS 161 HA LYS 161 -13.573 31.171 25.420 1300 HB2 LYS 161 HB2 LYS 161 -13.283 28.777 26.203 1301 HB3 LYS 161 HB3 LYS 161 -14.206 29.219 27.633 1302 HG2 LYS 161 HG2 LYS 161 -15.474 29.934 25.087 1303 HG3 LYS 161 HG3 LYS 161 -15.269 28.202 25.360 1304 HD2 LYS 161 HD2 LYS 161 -16.222 29.527 27.743 1305 HD3 LYS 161 HD3 LYS 161 -17.287 29.843 26.371 1306 HE2 LYS 161 HE2 LYS 161 -17.570 27.494 25.976 1307 HE3 LYS 161 HE3 LYS 161 -16.347 27.096 27.183 1308 HZ1 LYS 161 HZ1 LYS 161 -18.918 27.050 27.720 1309 HZ2 LYS 161 HZ2 LYS 161 -18.634 28.681 28.067 1310 HZ3 LYS 161 HZ3 LYS 161 -17.769 27.479 28.886 1311 H ASP 162 H ASP 162 -15.878 31.668 25.838 1312 HA ASP 162 HA ASP 162 -17.397 33.172 26.639 1313 HB2 ASP 162 HB2 ASP 162 -17.962 31.522 28.217 1314 HB3 ASP 162 HB3 ASP 162 -16.460 31.737 29.112 Start of MODEL 13 1 H1 MET 1 H MET 1 -4.220 -4.314 0.990 2 HA MET 1 HA MET 1 -5.886 -4.888 -1.252 3 HB2 MET 1 HB2 MET 1 -5.931 -3.099 1.054 4 HB3 MET 1 HB3 MET 1 -6.598 -2.356 -0.394 5 HG2 MET 1 HG2 MET 1 -7.482 -5.096 0.354 6 HG3 MET 1 HG3 MET 1 -8.108 -3.716 1.254 7 HE1 MET 1 HE1 MET 1 -8.645 -1.622 0.081 8 HE2 MET 1 HE2 MET 1 -8.775 -1.451 -1.669 9 HE3 MET 1 HE3 MET 1 -10.216 -1.778 -0.706 10 H ALA 2 H ALA 2 -3.438 -2.452 -0.539 11 HA ALA 2 HA ALA 2 -2.303 -0.991 -1.864 12 HB1 ALA 2 HB1 ALA 2 -2.599 -3.304 -3.373 13 HB2 ALA 2 HB2 ALA 2 -3.071 -1.999 -4.462 14 HB3 ALA 2 HB3 ALA 2 -1.487 -1.971 -3.687 15 H ARG 3 H ARG 3 -2.581 0.660 -3.642 16 HA ARG 3 HA ARG 3 -5.360 1.312 -4.242 17 HB2 ARG 3 HB2 ARG 3 -3.518 3.018 -2.583 18 HB3 ARG 3 HB3 ARG 3 -4.843 3.724 -3.499 19 HG2 ARG 3 HG2 ARG 3 -5.117 1.610 -1.372 20 HG3 ARG 3 HG3 ARG 3 -5.448 3.331 -1.167 21 HD2 ARG 3 HD2 ARG 3 -6.918 1.333 -2.865 22 HD3 ARG 3 HD3 ARG 3 -7.542 2.304 -1.532 23 HE ARG 3 HE ARG 3 -7.315 3.089 -4.269 24 HH11 ARG 3 HH11 ARG 3 -7.268 4.261 -0.991 25 HH12 ARG 3 HH12 ARG 3 -7.775 5.862 -1.419 26 HH21 ARG 3 HH21 ARG 3 -7.983 5.192 -4.844 27 HH22 ARG 3 HH22 ARG 3 -8.183 6.390 -3.611 28 H MET 4 H MET 4 -2.347 3.200 -4.324 29 HA MET 4 HA MET 4 -1.289 4.282 -6.025 30 HB2 MET 4 HB2 MET 4 -2.189 1.993 -7.768 31 HB3 MET 4 HB3 MET 4 -0.748 2.984 -7.948 32 HG2 MET 4 HG2 MET 4 0.285 1.265 -6.970 33 HG3 MET 4 HG3 MET 4 -0.352 1.954 -5.479 34 HE1 MET 4 HE1 MET 4 -0.073 -1.883 -5.966 35 HE2 MET 4 HE2 MET 4 -0.887 -1.815 -7.529 36 HE3 MET 4 HE3 MET 4 0.464 -0.733 -7.190 37 H ASN 5 H ASN 5 -2.782 6.022 -6.066 38 HA ASN 5 HA ASN 5 -3.934 6.499 -8.610 39 HB2 ASN 5 HB2 ASN 5 -5.609 5.065 -6.916 40 HB3 ASN 5 HB3 ASN 5 -6.162 6.729 -6.747 41 HD21 ASN 5 HD21 ASN 5 -7.508 7.483 -8.223 42 HD22 ASN 5 HD22 ASN 5 -7.826 6.762 -9.760 43 H ARG 6 H ARG 6 -5.733 8.478 -8.071 44 HA ARG 6 HA ARG 6 -4.109 10.414 -6.558 45 HB2 ARG 6 HB2 ARG 6 -6.060 11.052 -8.770 46 HB3 ARG 6 HB3 ARG 6 -4.885 12.134 -8.033 47 HG2 ARG 6 HG2 ARG 6 -3.681 11.640 -9.861 48 HG3 ARG 6 HG3 ARG 6 -3.245 10.201 -8.937 49 HD2 ARG 6 HD2 ARG 6 -5.666 9.562 -10.154 50 HD3 ARG 6 HD3 ARG 6 -4.759 10.436 -11.389 51 HE ARG 6 HE ARG 6 -3.007 8.601 -10.304 52 HH11 ARG 6 HH11 ARG 6 -6.056 8.525 -11.983 53 HH12 ARG 6 HH12 ARG 6 -5.764 6.981 -12.712 54 HH21 ARG 6 HH21 ARG 6 -2.611 6.568 -11.259 55 HH22 ARG 6 HH22 ARG 6 -3.805 5.868 -12.300 56 HA PRO 7 HA PRO 7 -8.104 9.961 -4.257 57 HB2 PRO 7 HB2 PRO 7 -6.953 10.012 -1.799 58 HB3 PRO 7 HB3 PRO 7 -7.132 8.530 -2.745 59 HG2 PRO 7 HG2 PRO 7 -4.734 10.292 -2.420 60 HG3 PRO 7 HG3 PRO 7 -4.831 8.521 -2.409 61 HD2 PRO 7 HD2 PRO 7 -4.018 9.922 -4.579 62 HD3 PRO 7 HD3 PRO 7 -4.897 8.385 -4.709 63 H ALA 8 H ALA 8 -9.219 11.788 -4.041 64 HA ALA 8 HA ALA 8 -7.803 14.230 -3.217 65 HB1 ALA 8 HB1 ALA 8 -10.360 13.861 -4.766 66 HB2 ALA 8 HB2 ALA 8 -9.758 15.423 -4.208 67 HB3 ALA 8 HB3 ALA 8 -8.820 14.479 -5.365 68 HA PRO 9 HA PRO 9 -10.173 13.330 0.568 69 HB2 PRO 9 HB2 PRO 9 -8.528 14.764 2.183 70 HB3 PRO 9 HB3 PRO 9 -8.181 13.103 1.690 71 HG2 PRO 9 HG2 PRO 9 -7.112 15.670 0.581 72 HG3 PRO 9 HG3 PRO 9 -6.252 14.161 0.936 73 HD2 PRO 9 HD2 PRO 9 -7.020 14.845 -1.569 74 HD3 PRO 9 HD3 PRO 9 -6.945 13.158 -1.021 75 H VAL 10 H VAL 10 -10.382 15.218 2.497 76 HA VAL 10 HA VAL 10 -11.393 17.617 1.118 77 HB VAL 10 HB VAL 10 -12.779 15.922 3.176 78 HG11 VAL 10 HG11 VAL 10 -14.453 17.778 3.352 79 HG12 VAL 10 HG12 VAL 10 -12.898 18.111 4.115 80 HG13 VAL 10 HG13 VAL 10 -13.284 18.824 2.548 81 HG21 VAL 10 HG21 VAL 10 -14.693 16.491 1.510 82 HG22 VAL 10 HG22 VAL 10 -13.374 16.918 0.420 83 HG23 VAL 10 HG23 VAL 10 -13.487 15.282 1.069 84 H GLU 11 H GLU 11 -10.357 19.356 1.817 85 HA GLU 11 HA GLU 11 -9.143 19.336 4.478 86 HB2 GLU 11 HB2 GLU 11 -7.524 20.016 2.968 87 HB3 GLU 11 HB3 GLU 11 -8.676 20.891 1.968 88 HG2 GLU 11 HG2 GLU 11 -8.811 22.662 3.595 89 HG3 GLU 11 HG3 GLU 11 -7.772 21.766 4.701 90 H VAL 12 H VAL 12 -10.091 20.329 6.120 91 HA VAL 12 HA VAL 12 -12.107 22.399 5.541 92 HB VAL 12 HB VAL 12 -13.194 20.603 6.633 93 HG11 VAL 12 HG11 VAL 12 -11.176 19.449 7.426 94 HG12 VAL 12 HG12 VAL 12 -11.008 20.646 8.711 95 HG13 VAL 12 HG13 VAL 12 -12.405 19.570 8.685 96 HG21 VAL 12 HG21 VAL 12 -13.987 21.597 8.671 97 HG22 VAL 12 HG22 VAL 12 -12.534 22.588 8.805 98 HG23 VAL 12 HG23 VAL 12 -13.684 22.882 7.501 99 H SER 13 H SER 13 -11.201 24.345 5.770 100 HA SER 13 HA SER 13 -9.195 24.790 7.842 101 HB2 SER 13 HB2 SER 13 -8.431 26.520 6.575 102 HB3 SER 13 HB3 SER 13 -9.305 25.685 5.291 103 HG SER 13 HG SER 13 -11.008 27.085 5.555 104 H TYR 14 H TYR 14 -9.716 25.577 9.762 105 HA TYR 14 HA TYR 14 -12.359 26.753 10.156 106 HB2 TYR 14 HB2 TYR 14 -10.928 24.955 11.648 107 HB3 TYR 14 HB3 TYR 14 -10.614 26.461 12.503 108 HD1 TYR 14 HD2 TYR 14 -13.584 24.864 10.872 109 HD2 TYR 14 HD1 TYR 14 -11.992 26.800 14.311 110 HE1 TYR 14 HE2 TYR 14 -15.772 24.684 11.980 111 HE2 TYR 14 HE1 TYR 14 -14.176 26.624 15.428 112 HH TYR 14 HH TYR 14 -16.392 24.695 14.841 113 H LYS 15 H LYS 15 -11.822 28.272 12.442 114 HA LYS 15 HA LYS 15 -11.271 30.773 11.401 115 HB2 LYS 15 HB2 LYS 15 -10.974 31.503 13.757 116 HB3 LYS 15 HB3 LYS 15 -12.415 30.524 13.512 117 HG2 LYS 15 HG2 LYS 15 -10.873 28.560 14.244 118 HG3 LYS 15 HG3 LYS 15 -9.885 29.847 14.938 119 HD2 LYS 15 HD2 LYS 15 -12.755 30.052 15.522 120 HD3 LYS 15 HD3 LYS 15 -11.963 28.630 16.205 121 HE2 LYS 15 HE2 LYS 15 -11.079 31.492 16.561 122 HE3 LYS 15 HE3 LYS 15 -11.924 30.517 17.762 123 HZ1 LYS 15 HZ1 LYS 15 -9.765 29.003 17.052 124 HZ2 LYS 15 HZ2 LYS 15 -9.918 29.921 18.464 125 HZ3 LYS 15 HZ3 LYS 15 -9.145 30.576 17.109 126 H HIS 16 H HIS 16 -9.083 28.643 13.228 127 HA HIS 16 HA HIS 16 -6.817 29.905 11.881 128 HB2 HIS 16 HB2 HIS 16 -7.438 30.726 14.391 129 HB3 HIS 16 HB3 HIS 16 -6.377 29.368 14.755 130 HD1 HIS 16 HD1 HIS 16 -3.950 29.869 14.741 131 HD2 HIS 16 HD2 HIS 16 -6.128 32.671 12.581 132 HE1 HIS 16 HE1 HIS 16 -2.289 31.630 14.057 133 H MET 17 H MET 17 -8.229 27.291 11.792 134 HA MET 17 HA MET 17 -5.857 25.612 12.179 135 HB2 MET 17 HB2 MET 17 -8.587 24.541 12.830 136 HB3 MET 17 HB3 MET 17 -7.015 23.895 13.279 137 HG2 MET 17 HG2 MET 17 -8.048 26.513 14.320 138 HG3 MET 17 HG3 MET 17 -8.366 24.974 15.115 139 HE1 MET 17 HE1 MET 17 -7.472 27.159 16.489 140 HE2 MET 17 HE2 MET 17 -6.322 26.368 17.567 141 HE3 MET 17 HE3 MET 17 -5.782 27.664 16.499 142 H ARG 18 H ARG 18 -6.391 23.334 11.146 143 HA ARG 18 HA ARG 18 -8.157 23.374 8.892 144 HB2 ARG 18 HB2 ARG 18 -6.006 24.737 8.281 145 HB3 ARG 18 HB3 ARG 18 -5.267 23.147 8.139 146 HG2 ARG 18 HG2 ARG 18 -6.619 22.542 6.346 147 HG3 ARG 18 HG3 ARG 18 -7.807 23.799 6.697 148 HD2 ARG 18 HD2 ARG 18 -5.007 24.211 5.654 149 HD3 ARG 18 HD3 ARG 18 -6.504 24.396 4.741 150 HE ARG 18 HE ARG 18 -6.582 26.078 6.990 151 HH11 ARG 18 HH11 ARG 18 -4.939 25.745 3.938 152 HH12 ARG 18 HH12 ARG 18 -4.659 27.445 3.755 153 HH21 ARG 18 HH21 ARG 18 -6.219 28.318 6.760 154 HH22 ARG 18 HH22 ARG 18 -5.386 28.907 5.362 155 H PHE 19 H PHE 19 -8.874 21.362 8.748 156 HA PHE 19 HA PHE 19 -7.045 19.164 9.459 157 HB2 PHE 19 HB2 PHE 19 -10.008 19.477 9.909 158 HB3 PHE 19 HB3 PHE 19 -9.218 17.905 9.972 159 HD1 PHE 19 HD1 PHE 19 -8.462 21.319 11.287 160 HD2 PHE 19 HD2 PHE 19 -8.870 17.162 12.105 161 HE1 PHE 19 HE1 PHE 19 -7.855 21.725 13.637 162 HE2 PHE 19 HE2 PHE 19 -8.266 17.561 14.456 163 HZ PHE 19 HZ PHE 19 -7.758 19.845 15.225 164 H LEU 20 H LEU 20 -7.815 17.018 8.462 165 HA LEU 20 HA LEU 20 -8.827 17.433 5.736 166 HB2 LEU 20 HB2 LEU 20 -6.163 16.712 6.484 167 HB3 LEU 20 HB3 LEU 20 -6.914 15.360 5.639 168 HG LEU 20 HG LEU 20 -5.736 16.639 4.024 169 HD11 LEU 20 HD11 LEU 20 -8.168 17.851 3.177 170 HD12 LEU 20 HD12 LEU 20 -8.541 16.303 3.935 171 HD13 LEU 20 HD13 LEU 20 -7.403 16.374 2.590 172 HD21 LEU 20 HD21 LEU 20 -5.582 18.704 5.398 173 HD22 LEU 20 HD22 LEU 20 -7.246 19.079 4.949 174 HD23 LEU 20 HD23 LEU 20 -5.993 19.003 3.709 175 H ILE 21 H ILE 21 -10.695 16.353 5.765 176 HA ILE 21 HA ILE 21 -10.969 13.886 7.271 177 HB ILE 21 HB ILE 21 -13.323 14.108 5.951 178 HG12 ILE 21 HG12 ILE 21 -12.263 16.293 4.972 179 HG13 ILE 21 HG13 ILE 21 -13.941 16.299 5.504 180 HG21 ILE 21 HG21 ILE 21 -14.146 15.270 8.000 181 HG22 ILE 21 HG22 ILE 21 -13.151 13.851 8.320 182 HG23 ILE 21 HG23 ILE 21 -12.467 15.466 8.499 183 HD11 ILE 21 HD11 ILE 21 -11.797 17.091 7.413 184 HD12 ILE 21 HD12 ILE 21 -12.340 18.229 6.180 185 HD13 ILE 21 HD13 ILE 21 -13.489 17.582 7.351 186 H THR 22 H THR 22 -10.582 11.954 6.436 187 HA THR 22 HA THR 22 -10.997 11.537 3.555 188 HB THR 22 HB THR 22 -8.984 10.324 3.290 189 HG1 THR 22 HG1 THR 22 -8.645 9.139 5.064 190 HG21 THR 22 HG21 THR 22 -7.475 12.026 3.395 191 HG22 THR 22 HG22 THR 22 -7.867 12.416 5.070 192 HG23 THR 22 HG23 THR 22 -8.927 12.954 3.768 193 H HIS 23 H HIS 23 -11.861 9.587 2.974 194 HA HIS 23 HA HIS 23 -12.677 7.834 5.191 195 HB2 HIS 23 HB2 HIS 23 -14.564 8.800 4.018 196 HB3 HIS 23 HB3 HIS 23 -13.920 8.266 2.468 197 HD1 HIS 23 HD1 HIS 23 -14.137 6.098 5.552 198 HD2 HIS 23 HD2 HIS 23 -15.920 6.498 1.821 199 HE1 HIS 23 HE1 HIS 23 -15.599 4.069 5.285 200 H ASN 24 H ASN 24 -12.407 7.282 1.691 201 HA ASN 24 HA ASN 24 -11.385 5.653 0.478 202 HB2 ASN 24 HB2 ASN 24 -9.516 6.149 2.722 203 HB3 ASN 24 HB3 ASN 24 -9.284 4.639 1.846 204 HD21 ASN 24 HD21 ASN 24 -7.227 6.111 1.613 205 HD22 ASN 24 HD22 ASN 24 -7.154 6.989 0.127 206 HA PRO 25 HA PRO 25 -12.966 1.748 1.704 207 HB2 PRO 25 HB2 PRO 25 -11.275 0.010 0.485 208 HB3 PRO 25 HB3 PRO 25 -12.456 0.981 -0.401 209 HG2 PRO 25 HG2 PRO 25 -9.527 1.456 -0.008 210 HG3 PRO 25 HG3 PRO 25 -10.503 1.638 -1.477 211 HD2 PRO 25 HD2 PRO 25 -9.784 3.745 0.064 212 HD3 PRO 25 HD3 PRO 25 -11.314 3.698 -0.835 213 H THR 26 H THR 26 -9.402 1.742 1.902 214 HA THR 26 HA THR 26 -9.261 1.280 4.652 215 HB THR 26 HB THR 26 -8.263 -1.227 4.022 216 HG1 THR 26 HG1 THR 26 -9.357 -1.260 2.040 217 HG21 THR 26 HG21 THR 26 -9.666 -1.913 5.671 218 HG22 THR 26 HG22 THR 26 -11.063 -1.097 4.969 219 HG23 THR 26 HG23 THR 26 -9.878 -0.177 5.895 220 H ASN 27 H ASN 27 -7.356 2.160 5.084 221 HA ASN 27 HA ASN 27 -5.273 2.303 3.118 222 HB2 ASN 27 HB2 ASN 27 -4.031 3.542 4.855 223 HB3 ASN 27 HB3 ASN 27 -5.661 4.174 4.637 224 HD21 ASN 27 HD21 ASN 27 -4.767 5.006 6.836 225 HD22 ASN 27 HD22 ASN 27 -5.270 4.089 8.211 226 H ALA 28 H ALA 28 -5.381 -0.222 3.142 227 HA ALA 28 HA ALA 28 -3.843 -1.463 5.253 228 HB1 ALA 28 HB1 ALA 28 -4.193 -3.530 4.046 229 HB2 ALA 28 HB2 ALA 28 -5.714 -2.644 4.169 230 HB3 ALA 28 HB3 ALA 28 -4.813 -2.642 2.653 231 H THR 29 H THR 29 -3.071 0.342 2.585 232 HA THR 29 HA THR 29 -0.513 -1.061 2.179 233 HB THR 29 HB THR 29 -1.317 -0.940 0.040 234 HG1 THR 29 HG1 THR 29 0.047 0.418 -0.879 235 HG21 THR 29 HG21 THR 29 -2.633 1.685 0.750 236 HG22 THR 29 HG22 THR 29 -3.432 0.123 0.569 237 HG23 THR 29 HG23 THR 29 -2.708 0.910 -0.832 238 H LEU 30 H LEU 30 -2.017 2.010 2.945 239 HA LEU 30 HA LEU 30 -1.201 3.971 3.759 240 HB2 LEU 30 HB2 LEU 30 0.100 1.890 5.100 241 HB3 LEU 30 HB3 LEU 30 1.365 3.048 4.694 242 HG LEU 30 HG LEU 30 0.071 4.813 5.843 243 HD11 LEU 30 HD11 LEU 30 -1.685 2.613 6.893 244 HD12 LEU 30 HD12 LEU 30 -2.138 3.612 5.513 245 HD13 LEU 30 HD13 LEU 30 -1.871 4.356 7.089 246 HD21 LEU 30 HD21 LEU 30 1.131 4.327 7.748 247 HD22 LEU 30 HD22 LEU 30 1.653 2.853 6.933 248 HD23 LEU 30 HD23 LEU 30 0.228 2.829 7.974 249 H SER 31 H SER 31 -0.379 2.974 1.039 250 HA SER 31 HA SER 31 2.225 4.190 0.643 251 HB2 SER 31 HB2 SER 31 1.794 2.205 -0.640 252 HB3 SER 31 HB3 SER 31 0.278 2.865 -1.254 253 HG SER 31 HG SER 31 1.465 4.398 -2.408 254 H THR 32 H THR 32 -0.834 4.608 -1.132 255 HA THR 32 HA THR 32 -0.147 7.269 -1.915 256 HB THR 32 HB THR 32 -2.847 5.922 -2.100 257 HG1 THR 32 HG1 THR 32 -0.502 5.689 -3.613 258 HG21 THR 32 HG21 THR 32 -3.272 7.499 -3.896 259 HG22 THR 32 HG22 THR 32 -1.659 8.186 -3.708 260 HG23 THR 32 HG23 THR 32 -2.853 8.372 -2.423 261 H PHE 33 H PHE 33 -1.919 5.856 0.711 262 HA PHE 33 HA PHE 33 -3.545 7.987 1.471 263 HB2 PHE 33 HB2 PHE 33 -3.966 5.990 2.604 264 HB3 PHE 33 HB3 PHE 33 -2.265 5.729 2.976 265 HD1 PHE 33 HD1 PHE 33 -4.719 8.476 3.598 266 HD2 PHE 33 HD2 PHE 33 -1.831 5.802 5.219 267 HE1 PHE 33 HE1 PHE 33 -5.060 9.463 5.826 268 HE2 PHE 33 HE2 PHE 33 -2.169 6.784 7.449 269 HZ PHE 33 HZ PHE 33 -3.786 8.616 7.755 270 H ILE 34 H ILE 34 -0.322 7.155 2.758 271 HA ILE 34 HA ILE 34 0.012 9.415 4.349 272 HB ILE 34 HB ILE 34 2.217 7.943 2.905 273 HG12 ILE 34 HG12 ILE 34 0.972 7.346 5.598 274 HG13 ILE 34 HG13 ILE 34 0.712 6.405 4.134 275 HG21 ILE 34 HG21 ILE 34 3.504 9.460 3.906 276 HG22 ILE 34 HG22 ILE 34 2.158 10.078 4.862 277 HG23 ILE 34 HG23 ILE 34 3.076 8.684 5.430 278 HD11 ILE 34 HD11 ILE 34 3.396 6.357 4.254 279 HD12 ILE 34 HD12 ILE 34 3.002 6.456 5.970 280 HD13 ILE 34 HD13 ILE 34 2.353 5.141 4.991 281 H GLU 35 H GLU 35 0.612 8.934 0.919 282 HA GLU 35 HA GLU 35 2.047 11.330 0.472 283 HB2 GLU 35 HB2 GLU 35 0.313 9.896 -1.538 284 HB3 GLU 35 HB3 GLU 35 1.699 10.927 -1.862 285 HG2 GLU 35 HG2 GLU 35 2.517 8.804 -0.150 286 HG3 GLU 35 HG3 GLU 35 1.636 8.130 -1.520 287 H ASP 36 H ASP 36 -1.381 10.537 0.450 288 HA ASP 36 HA ASP 36 -2.341 12.916 -0.691 289 HB2 ASP 36 HB2 ASP 36 -3.480 10.584 0.198 290 HB3 ASP 36 HB3 ASP 36 -4.051 11.746 1.392 291 H LEU 37 H LEU 37 -1.976 12.005 2.733 292 HA LEU 37 HA LEU 37 -2.740 14.579 3.697 293 HB2 LEU 37 HB2 LEU 37 -2.197 13.764 5.858 294 HB3 LEU 37 HB3 LEU 37 -2.951 12.443 4.968 295 HG LEU 37 HG LEU 37 -0.427 11.803 4.489 296 HD11 LEU 37 HD11 LEU 37 0.472 12.329 7.041 297 HD12 LEU 37 HD12 LEU 37 -0.265 13.851 6.541 298 HD13 LEU 37 HD13 LEU 37 1.008 13.125 5.561 299 HD21 LEU 37 HD21 LEU 37 -0.516 10.351 6.492 300 HD22 LEU 37 HD22 LEU 37 -2.011 10.336 5.556 301 HD23 LEU 37 HD23 LEU 37 -1.917 11.263 7.054 302 H LYS 38 H LYS 38 0.195 13.209 2.548 303 HA LYS 38 HA LYS 38 1.925 15.101 3.875 304 HB2 LYS 38 HB2 LYS 38 2.275 12.838 1.976 305 HB3 LYS 38 HB3 LYS 38 3.524 14.075 1.996 306 HG2 LYS 38 HG2 LYS 38 3.467 13.696 4.574 307 HG3 LYS 38 HG3 LYS 38 2.722 12.157 4.133 308 HD2 LYS 38 HD2 LYS 38 5.368 13.175 3.097 309 HD3 LYS 38 HD3 LYS 38 5.168 11.981 4.382 310 HE2 LYS 38 HE2 LYS 38 5.342 10.494 2.705 311 HE3 LYS 38 HE3 LYS 38 3.647 10.889 2.423 312 HZ1 LYS 38 HZ1 LYS 38 5.405 11.006 0.505 313 HZ2 LYS 38 HZ2 LYS 38 5.687 12.549 1.136 314 HZ3 LYS 38 HZ3 LYS 38 4.141 12.127 0.594 315 H LYS 39 H LYS 39 0.461 14.704 0.701 316 HA LYS 39 HA LYS 39 1.878 16.874 -0.509 317 HB2 LYS 39 HB2 LYS 39 0.393 16.562 -2.389 318 HB3 LYS 39 HB3 LYS 39 0.911 14.988 -1.800 319 HG2 LYS 39 HG2 LYS 39 -1.200 14.637 -0.713 320 HG3 LYS 39 HG3 LYS 39 -1.720 16.277 -1.108 321 HD2 LYS 39 HD2 LYS 39 -1.018 14.192 -3.169 322 HD3 LYS 39 HD3 LYS 39 -2.660 14.494 -2.594 323 HE2 LYS 39 HE2 LYS 39 -1.544 16.994 -3.292 324 HE3 LYS 39 HE3 LYS 39 -1.170 15.876 -4.603 325 HZ1 LYS 39 HZ1 LYS 39 -3.538 15.289 -4.683 326 HZ2 LYS 39 HZ2 LYS 39 -3.276 16.928 -5.007 327 HZ3 LYS 39 HZ3 LYS 39 -3.864 16.449 -3.495 328 H TYR 40 H TYR 40 -1.211 16.500 1.125 329 HA TYR 40 HA TYR 40 -2.216 19.078 0.451 330 HB2 TYR 40 HB2 TYR 40 -3.013 16.857 2.235 331 HB3 TYR 40 HB3 TYR 40 -3.580 18.456 2.704 332 HD1 TYR 40 HD2 TYR 40 -3.463 16.148 -0.221 333 HD2 TYR 40 HD1 TYR 40 -5.513 19.319 1.741 334 HE1 TYR 40 HE2 TYR 40 -5.291 15.973 -1.858 335 HE2 TYR 40 HE1 TYR 40 -7.346 19.151 0.110 336 HH TYR 40 HH TYR 40 -7.096 17.202 -2.741 337 H GLY 41 H GLY 41 0.289 18.139 2.435 338 HA2 GLY 41 HA2 GLY 41 1.661 19.467 3.749 339 HA3 GLY 41 HA3 GLY 41 0.511 20.783 3.562 340 H ALA 42 H ALA 42 -0.389 17.605 4.723 341 HA ALA 42 HA ALA 42 -1.098 18.823 7.299 342 HB1 ALA 42 HB1 ALA 42 -2.867 17.698 5.923 343 HB2 ALA 42 HB2 ALA 42 -2.035 16.172 6.223 344 HB3 ALA 42 HB3 ALA 42 -2.705 17.091 7.571 345 H THR 43 H THR 43 0.263 18.497 8.920 346 HA THR 43 HA THR 43 2.139 16.276 8.844 347 HB THR 43 HB THR 43 3.311 17.340 10.616 348 HG1 THR 43 HG1 THR 43 1.700 17.940 12.018 349 HG21 THR 43 HG21 THR 43 2.746 18.662 8.228 350 HG22 THR 43 HG22 THR 43 4.091 18.985 9.323 351 HG23 THR 43 HG23 THR 43 2.590 19.899 9.474 352 H THR 44 H THR 44 -0.501 15.442 9.167 353 HA THR 44 HA THR 44 -0.285 14.055 11.704 354 HB THR 44 HB THR 44 -3.014 14.867 11.547 355 HG1 THR 44 HG1 THR 44 -1.227 17.073 11.754 356 HG21 THR 44 HG21 THR 44 -1.460 14.166 13.511 357 HG22 THR 44 HG22 THR 44 -2.734 15.351 13.800 358 HG23 THR 44 HG23 THR 44 -1.067 15.884 13.582 359 H VAL 45 H VAL 45 -1.251 12.067 11.689 360 HA VAL 45 HA VAL 45 -2.213 11.136 9.106 361 HB VAL 45 HB VAL 45 -2.022 9.337 11.480 362 HG11 VAL 45 HG11 VAL 45 -0.830 8.124 9.341 363 HG12 VAL 45 HG12 VAL 45 -2.529 7.958 9.789 364 HG13 VAL 45 HG13 VAL 45 -2.050 9.133 8.563 365 HG21 VAL 45 HG21 VAL 45 0.386 9.038 11.090 366 HG22 VAL 45 HG22 VAL 45 0.356 10.373 9.938 367 HG23 VAL 45 HG23 VAL 45 0.004 10.670 11.640 368 H VAL 46 H VAL 46 -4.222 10.275 8.713 369 HA VAL 46 HA VAL 46 -6.363 11.219 10.360 370 HB VAL 46 HB VAL 46 -7.834 10.475 8.699 371 HG11 VAL 46 HG11 VAL 46 -6.618 12.247 7.766 372 HG12 VAL 46 HG12 VAL 46 -5.188 11.246 7.507 373 HG13 VAL 46 HG13 VAL 46 -6.625 11.008 6.511 374 HG21 VAL 46 HG21 VAL 46 -7.611 8.292 8.203 375 HG22 VAL 46 HG22 VAL 46 -6.625 8.881 6.864 376 HG23 VAL 46 HG23 VAL 46 -5.854 8.332 8.352 377 H ARG 47 H ARG 47 -4.728 9.478 11.828 378 HA ARG 47 HA ARG 47 -5.709 6.833 11.936 379 HB2 ARG 47 HB2 ARG 47 -4.013 8.562 13.637 380 HB3 ARG 47 HB3 ARG 47 -4.803 7.219 14.452 381 HG2 ARG 47 HG2 ARG 47 -3.847 5.821 12.471 382 HG3 ARG 47 HG3 ARG 47 -2.734 7.181 12.308 383 HD2 ARG 47 HD2 ARG 47 -1.500 6.328 13.944 384 HD3 ARG 47 HD3 ARG 47 -2.854 6.556 15.051 385 HE ARG 47 HE ARG 47 -2.975 4.143 13.471 386 HH11 ARG 47 HH11 ARG 47 -1.898 5.617 16.434 387 HH12 ARG 47 HH12 ARG 47 -1.818 4.120 17.303 388 HH21 ARG 47 HH21 ARG 47 -2.874 2.165 14.603 389 HH22 ARG 47 HH22 ARG 47 -2.373 2.157 16.260 390 H VAL 48 H VAL 48 -7.357 9.588 12.491 391 HA VAL 48 HA VAL 48 -8.730 9.073 14.910 392 HB VAL 48 HB VAL 48 -9.508 10.723 12.506 393 HG11 VAL 48 HG11 VAL 48 -10.949 11.664 14.667 394 HG12 VAL 48 HG12 VAL 48 -11.585 10.716 13.321 395 HG13 VAL 48 HG13 VAL 48 -11.081 9.911 14.808 396 HG21 VAL 48 HG21 VAL 48 -9.015 12.594 14.125 397 HG22 VAL 48 HG22 VAL 48 -8.311 11.378 15.190 398 HG23 VAL 48 HG23 VAL 48 -7.619 11.658 13.592 399 H CYS 49 H CYS 49 -9.076 6.734 14.550 400 HA CYS 49 HA CYS 49 -11.736 6.126 14.063 401 HB2 CYS 49 HB2 CYS 49 -11.546 4.822 11.940 402 HB3 CYS 49 HB3 CYS 49 -11.365 6.559 11.723 403 HG CYS 49 HG CYS 49 -9.604 4.826 10.123 404 H GLU 50 H GLU 50 -11.604 3.509 13.140 405 HA GLU 50 HA GLU 50 -10.624 2.176 15.452 406 HB2 GLU 50 HB2 GLU 50 -11.295 0.103 14.233 407 HB3 GLU 50 HB3 GLU 50 -12.571 1.306 14.352 408 HG2 GLU 50 HG2 GLU 50 -11.351 1.931 11.970 409 HG3 GLU 50 HG3 GLU 50 -11.286 0.170 12.007 410 H VAL 51 H VAL 51 -8.381 3.122 15.091 411 HA VAL 51 HA VAL 51 -6.727 1.953 13.072 412 HB VAL 51 HB VAL 51 -4.842 2.898 14.480 413 HG11 VAL 51 HG11 VAL 51 -7.069 4.568 13.368 414 HG12 VAL 51 HG12 VAL 51 -5.612 5.311 14.030 415 HG13 VAL 51 HG13 VAL 51 -5.495 4.204 12.662 416 HG21 VAL 51 HG21 VAL 51 -7.069 4.221 16.013 417 HG22 VAL 51 HG22 VAL 51 -6.193 2.810 16.608 418 HG23 VAL 51 HG23 VAL 51 -5.333 4.322 16.313 419 H THR 52 H THR 52 -5.356 0.240 13.187 420 HA THR 52 HA THR 52 -4.914 -1.122 15.716 421 HB THR 52 HB THR 52 -5.761 -3.247 15.058 422 HG1 THR 52 HG1 THR 52 -6.726 -3.516 12.960 423 HG21 THR 52 HG21 THR 52 -7.803 -1.163 14.274 424 HG22 THR 52 HG22 THR 52 -7.447 -1.681 15.922 425 HG23 THR 52 HG23 THR 52 -8.146 -2.819 14.771 426 H TYR 53 H TYR 53 -3.329 0.283 13.646 427 HA TYR 53 HA TYR 53 -1.410 -1.881 13.128 428 HB2 TYR 53 HB2 TYR 53 -0.974 -1.145 10.921 429 HB3 TYR 53 HB3 TYR 53 -2.728 -1.193 11.056 430 HD1 TYR 53 HD1 TYR 53 0.213 1.020 10.900 431 HD2 TYR 53 HD2 TYR 53 -4.037 0.809 10.907 432 HE1 TYR 53 HE1 TYR 53 0.101 3.368 10.179 433 HE2 TYR 53 HE2 TYR 53 -4.160 3.157 10.185 434 HH TYR 53 HH TYR 53 -1.228 5.018 9.476 435 H ASP 54 H ASP 54 0.706 -1.380 13.465 436 HA ASP 54 HA ASP 54 1.284 0.937 15.026 437 HB2 ASP 54 HB2 ASP 54 2.749 -1.469 14.121 438 HB3 ASP 54 HB3 ASP 54 3.738 -0.049 14.448 439 H LYS 55 H LYS 55 2.045 2.862 14.420 440 HA LYS 55 HA LYS 55 2.196 3.553 11.667 441 HB2 LYS 55 HB2 LYS 55 3.132 5.745 12.646 442 HB3 LYS 55 HB3 LYS 55 1.484 5.292 13.058 443 HG2 LYS 55 HG2 LYS 55 3.474 4.273 14.932 444 HG3 LYS 55 HG3 LYS 55 3.423 6.035 14.832 445 HD2 LYS 55 HD2 LYS 55 1.421 6.149 15.842 446 HD3 LYS 55 HD3 LYS 55 0.784 4.774 14.936 447 HE2 LYS 55 HE2 LYS 55 1.193 3.360 16.615 448 HE3 LYS 55 HE3 LYS 55 2.822 3.990 16.851 449 HZ1 LYS 55 HZ1 LYS 55 0.327 4.749 18.166 450 HZ2 LYS 55 HZ2 LYS 55 1.461 5.973 17.894 451 HZ3 LYS 55 HZ3 LYS 55 1.888 4.613 18.805 452 H THR 56 H THR 56 3.796 2.671 10.488 453 HA THR 56 HA THR 56 6.521 2.653 11.561 454 HB THR 56 HB THR 56 6.761 0.724 10.479 455 HG1 THR 56 HG1 THR 56 6.281 0.802 8.058 456 HG21 THR 56 HG21 THR 56 3.994 1.195 9.362 457 HG22 THR 56 HG22 THR 56 4.367 0.424 10.904 458 HG23 THR 56 HG23 THR 56 4.846 -0.348 9.393 459 HA PRO 57 HA PRO 57 7.069 4.955 7.346 460 HB2 PRO 57 HB2 PRO 57 4.813 5.669 6.016 461 HB3 PRO 57 HB3 PRO 57 5.624 4.119 5.767 462 HG2 PRO 57 HG2 PRO 57 3.223 4.754 7.439 463 HG3 PRO 57 HG3 PRO 57 3.501 3.376 6.359 464 HD2 PRO 57 HD2 PRO 57 3.779 3.199 9.046 465 HD3 PRO 57 HD3 PRO 57 4.766 2.246 7.919 466 H LEU 58 H LEU 58 3.814 6.168 8.094 467 HA LEU 58 HA LEU 58 4.406 8.850 8.081 468 HB2 LEU 58 HB2 LEU 58 2.371 9.219 9.246 469 HB3 LEU 58 HB3 LEU 58 2.139 7.821 8.200 470 HG LEU 58 HG LEU 58 1.040 7.395 10.276 471 HD11 LEU 58 HD11 LEU 58 1.926 5.312 10.786 472 HD12 LEU 58 HD12 LEU 58 3.588 5.844 10.532 473 HD13 LEU 58 HD13 LEU 58 2.518 5.608 9.150 474 HD21 LEU 58 HD21 LEU 58 2.868 9.031 11.418 475 HD22 LEU 58 HD22 LEU 58 3.458 7.456 11.950 476 HD23 LEU 58 HD23 LEU 58 1.804 7.949 12.318 477 H GLU 59 H GLU 59 5.299 6.516 10.418 478 HA GLU 59 HA GLU 59 5.590 8.249 12.657 479 HB2 GLU 59 HB2 GLU 59 5.450 5.984 13.217 480 HB3 GLU 59 HB3 GLU 59 6.597 5.507 11.972 481 HG2 GLU 59 HG2 GLU 59 8.415 6.017 13.248 482 HG3 GLU 59 HG3 GLU 59 7.563 7.258 14.165 483 H LYS 60 H LYS 60 7.919 6.903 10.326 484 HA LYS 60 HA LYS 60 10.089 8.474 11.355 485 HB2 LYS 60 HB2 LYS 60 9.982 7.042 8.701 486 HB3 LYS 60 HB3 LYS 60 11.412 7.489 9.621 487 HG2 LYS 60 HG2 LYS 60 9.367 5.414 10.378 488 HG3 LYS 60 HG3 LYS 60 11.015 5.123 9.817 489 HD2 LYS 60 HD2 LYS 60 11.915 6.181 11.796 490 HD3 LYS 60 HD3 LYS 60 10.292 6.617 12.337 491 HE2 LYS 60 HE2 LYS 60 9.909 4.011 12.117 492 HE3 LYS 60 HE3 LYS 60 11.658 3.973 12.337 493 HZ1 LYS 60 HZ1 LYS 60 11.231 4.087 14.500 494 HZ2 LYS 60 HZ2 LYS 60 9.602 4.471 14.255 495 HZ3 LYS 60 HZ3 LYS 60 10.768 5.697 14.259 496 H ASP 61 H ASP 61 7.539 9.026 9.171 497 HA ASP 61 HA ASP 61 8.861 10.974 7.531 498 HB2 ASP 61 HB2 ASP 61 6.264 9.703 7.641 499 HB3 ASP 61 HB3 ASP 61 6.099 11.440 7.403 500 H GLY 62 H GLY 62 7.973 11.018 10.702 501 HA2 GLY 62 HA2 GLY 62 7.952 12.744 12.231 502 HA3 GLY 62 HA3 GLY 62 8.311 13.849 10.912 503 H ILE 63 H ILE 63 5.543 11.712 10.891 504 HA ILE 63 HA ILE 63 3.803 14.074 10.934 505 HB ILE 63 HB ILE 63 3.269 11.264 9.969 506 HG12 ILE 63 HG12 ILE 63 3.189 13.759 8.303 507 HG13 ILE 63 HG13 ILE 63 4.727 12.972 8.637 508 HG21 ILE 63 HG21 ILE 63 1.248 12.182 10.924 509 HG22 ILE 63 HG22 ILE 63 1.457 13.672 10.006 510 HG23 ILE 63 HG23 ILE 63 1.115 12.160 9.166 511 HD11 ILE 63 HD11 ILE 63 3.807 12.276 6.498 512 HD12 ILE 63 HD12 ILE 63 3.902 10.920 7.622 513 HD13 ILE 63 HD13 ILE 63 2.351 11.696 7.304 514 H THR 64 H THR 64 2.297 14.388 12.473 515 HA THR 64 HA THR 64 2.450 12.919 14.898 516 HB THR 64 HB THR 64 0.603 15.091 13.931 517 HG1 THR 64 HG1 THR 64 2.460 15.017 16.091 518 HG21 THR 64 HG21 THR 64 -0.255 15.164 16.290 519 HG22 THR 64 HG22 THR 64 0.500 13.591 16.546 520 HG23 THR 64 HG23 THR 64 -0.789 13.767 15.356 521 H VAL 65 H VAL 65 1.375 11.167 15.535 522 HA VAL 65 HA VAL 65 -0.586 9.979 13.765 523 HB VAL 65 HB VAL 65 0.739 8.287 14.540 524 HG11 VAL 65 HG11 VAL 65 2.221 9.387 15.963 525 HG12 VAL 65 HG12 VAL 65 0.940 9.878 17.074 526 HG13 VAL 65 HG13 VAL 65 1.455 8.191 17.008 527 HG21 VAL 65 HG21 VAL 65 -0.602 6.892 15.746 528 HG22 VAL 65 HG22 VAL 65 -1.000 8.125 16.943 529 HG23 VAL 65 HG23 VAL 65 -1.780 8.148 15.361 530 H VAL 66 H VAL 66 -2.670 10.448 13.917 531 HA VAL 66 HA VAL 66 -3.756 11.262 16.529 532 HB VAL 66 HB VAL 66 -5.021 11.735 13.831 533 HG11 VAL 66 HG11 VAL 66 -5.513 13.100 16.473 534 HG12 VAL 66 HG12 VAL 66 -6.435 13.287 14.979 535 HG13 VAL 66 HG13 VAL 66 -6.479 11.758 15.859 536 HG21 VAL 66 HG21 VAL 66 -4.227 14.117 14.210 537 HG22 VAL 66 HG22 VAL 66 -3.129 13.452 15.419 538 HG23 VAL 66 HG23 VAL 66 -2.998 12.944 13.735 539 H ASP 67 H ASP 67 -4.173 9.200 17.338 540 HA ASP 67 HA ASP 67 -6.024 7.508 15.821 541 HB2 ASP 67 HB2 ASP 67 -5.514 5.841 17.673 542 HB3 ASP 67 HB3 ASP 67 -4.168 6.261 16.617 543 H TRP 68 H TRP 68 -8.083 8.076 16.129 544 HA TRP 68 HA TRP 68 -8.979 8.550 18.897 545 HB2 TRP 68 HB2 TRP 68 -9.886 9.840 16.325 546 HB3 TRP 68 HB3 TRP 68 -10.844 9.905 17.801 547 HD1 TRP 68 HD1 TRP 68 -7.455 10.098 19.006 548 HE1 TRP 68 HE1 TRP 68 -6.697 12.531 19.363 549 HE3 TRP 68 HE3 TRP 68 -11.122 12.487 16.364 550 HZ2 TRP 68 HZ2 TRP 68 -7.542 15.121 18.624 551 HZ3 TRP 68 HZ3 TRP 68 -11.075 14.944 16.239 552 HH2 TRP 68 HH2 TRP 68 -9.321 16.232 17.346 553 HA PRO 69 HA PRO 69 -11.346 4.857 18.092 554 HB2 PRO 69 HB2 PRO 69 -12.540 4.766 20.528 555 HB3 PRO 69 HB3 PRO 69 -10.867 4.262 20.259 556 HG2 PRO 69 HG2 PRO 69 -11.916 6.850 21.339 557 HG3 PRO 69 HG3 PRO 69 -10.545 5.876 21.903 558 HD2 PRO 69 HD2 PRO 69 -10.230 8.081 20.364 559 HD3 PRO 69 HD3 PRO 69 -9.135 6.687 20.269 560 H PHE 70 H PHE 70 -12.354 7.166 16.907 561 HA PHE 70 HA PHE 70 -15.053 7.577 17.892 562 HB2 PHE 70 HB2 PHE 70 -13.572 8.721 15.518 563 HB3 PHE 70 HB3 PHE 70 -15.226 9.145 15.944 564 HD1 PHE 70 HD2 PHE 70 -13.602 8.579 18.941 565 HD2 PHE 70 HD1 PHE 70 -13.803 11.422 15.780 566 HE1 PHE 70 HE2 PHE 70 -12.760 10.322 20.460 567 HE2 PHE 70 HE1 PHE 70 -12.960 13.170 17.294 568 HZ PHE 70 HZ PHE 70 -12.439 12.621 19.637 569 H ASP 71 H ASP 71 -13.639 5.199 16.193 570 HA ASP 71 HA ASP 71 -15.100 4.773 13.895 571 HB2 ASP 71 HB2 ASP 71 -13.370 3.252 14.227 572 HB3 ASP 71 HB3 ASP 71 -13.849 2.918 15.889 573 H ASP 72 H ASP 72 -15.881 3.499 17.135 574 HA ASP 72 HA ASP 72 -18.621 4.064 16.988 575 HB2 ASP 72 HB2 ASP 72 -18.119 2.057 15.264 576 HB3 ASP 72 HB3 ASP 72 -18.355 1.120 16.737 577 H GLY 73 H GLY 73 -18.306 4.665 19.116 578 HA2 GLY 73 HA2 GLY 73 -19.017 3.179 21.192 579 HA3 GLY 73 HA3 GLY 73 -17.344 2.669 21.017 580 H ALA 74 H ALA 74 -15.670 4.156 21.435 581 HA ALA 74 HA ALA 74 -14.639 5.861 22.537 582 HB1 ALA 74 HB1 ALA 74 -15.331 7.614 21.316 583 HB2 ALA 74 HB2 ALA 74 -17.022 7.114 21.366 584 HB3 ALA 74 HB3 ALA 74 -16.317 7.981 22.731 585 HA PRO 75 HA PRO 75 -15.774 5.691 26.771 586 HB2 PRO 75 HB2 PRO 75 -14.875 8.063 27.739 587 HB3 PRO 75 HB3 PRO 75 -13.794 6.750 27.259 588 HG2 PRO 75 HG2 PRO 75 -14.582 9.206 25.739 589 HG3 PRO 75 HG3 PRO 75 -12.982 8.458 25.906 590 HD2 PRO 75 HD2 PRO 75 -14.530 8.116 23.710 591 HD3 PRO 75 HD3 PRO 75 -13.424 6.860 24.304 592 HA PRO 76 HA PRO 76 -19.770 7.654 26.949 593 HB2 PRO 76 HB2 PRO 76 -20.509 6.602 29.340 594 HB3 PRO 76 HB3 PRO 76 -20.527 5.675 27.835 595 HG2 PRO 76 HG2 PRO 76 -18.473 5.712 30.013 596 HG3 PRO 76 HG3 PRO 76 -19.138 4.328 29.125 597 HD2 PRO 76 HD2 PRO 76 -16.728 5.414 28.539 598 HD3 PRO 76 HD3 PRO 76 -17.770 4.680 27.303 599 HA PRO 77 HA PRO 77 -18.458 9.830 31.130 600 HB2 PRO 77 HB2 PRO 77 -15.765 10.003 31.433 601 HB3 PRO 77 HB3 PRO 77 -16.724 8.679 32.104 602 HG2 PRO 77 HG2 PRO 77 -15.091 8.754 29.597 603 HG3 PRO 77 HG3 PRO 77 -15.211 7.472 30.815 604 HD2 PRO 77 HD2 PRO 77 -16.547 7.374 28.462 605 HD3 PRO 77 HD3 PRO 77 -17.193 6.668 29.957 606 H GLY 78 H GLY 78 -16.006 10.075 28.540 607 HA2 GLY 78 HA2 GLY 78 -16.284 11.979 26.976 608 HA3 GLY 78 HA3 GLY 78 -16.626 12.962 28.393 609 H LYS 79 H LYS 79 -14.096 10.523 27.944 610 HA LYS 79 HA LYS 79 -12.114 12.441 28.851 611 HB2 LYS 79 HB2 LYS 79 -12.177 10.080 29.684 612 HB3 LYS 79 HB3 LYS 79 -11.730 9.546 28.069 613 HG2 LYS 79 HG2 LYS 79 -9.610 9.736 28.671 614 HG3 LYS 79 HG3 LYS 79 -9.841 11.485 28.747 615 HD2 LYS 79 HD2 LYS 79 -10.746 9.929 31.094 616 HD3 LYS 79 HD3 LYS 79 -9.002 10.017 30.832 617 HE2 LYS 79 HE2 LYS 79 -9.125 12.452 30.782 618 HE3 LYS 79 HE3 LYS 79 -10.873 12.380 30.999 619 HZ1 LYS 79 HZ1 LYS 79 -10.512 11.317 33.149 620 HZ2 LYS 79 HZ2 LYS 79 -9.769 12.835 33.085 621 HZ3 LYS 79 HZ3 LYS 79 -8.837 11.430 32.942 622 H VAL 80 H VAL 80 -13.222 11.052 25.899 623 HA VAL 80 HA VAL 80 -11.026 11.123 24.247 624 HB VAL 80 HB VAL 80 -13.933 11.568 23.797 625 HG11 VAL 80 HG11 VAL 80 -11.834 12.119 21.701 626 HG12 VAL 80 HG12 VAL 80 -13.568 11.977 21.402 627 HG13 VAL 80 HG13 VAL 80 -12.949 13.293 22.399 628 HG21 VAL 80 HG21 VAL 80 -12.090 9.769 22.268 629 HG22 VAL 80 HG22 VAL 80 -12.635 9.336 23.889 630 HG23 VAL 80 HG23 VAL 80 -13.812 9.579 22.598 631 H VAL 81 H VAL 81 -12.957 13.811 25.426 632 HA VAL 81 HA VAL 81 -12.243 15.875 23.791 633 HB VAL 81 HB VAL 81 -12.647 17.387 25.571 634 HG11 VAL 81 HG11 VAL 81 -14.736 16.657 26.404 635 HG12 VAL 81 HG12 VAL 81 -14.536 15.872 24.836 636 HG13 VAL 81 HG13 VAL 81 -14.260 14.961 26.322 637 HG21 VAL 81 HG21 VAL 81 -11.772 15.123 27.324 638 HG22 VAL 81 HG22 VAL 81 -11.199 16.791 27.287 639 HG23 VAL 81 HG23 VAL 81 -12.783 16.418 27.967 640 H GLU 82 H GLU 82 -10.289 14.387 26.320 641 HA GLU 82 HA GLU 82 -8.212 16.207 26.490 642 HB2 GLU 82 HB2 GLU 82 -6.937 14.505 27.481 643 HB3 GLU 82 HB3 GLU 82 -8.600 14.062 27.838 644 HG2 GLU 82 HG2 GLU 82 -8.523 12.532 25.859 645 HG3 GLU 82 HG3 GLU 82 -6.797 12.870 25.750 646 H ASP 83 H ASP 83 -8.621 13.523 24.209 647 HA ASP 83 HA ASP 83 -6.163 14.013 22.844 648 HB2 ASP 83 HB2 ASP 83 -8.199 12.030 22.802 649 HB3 ASP 83 HB3 ASP 83 -8.025 12.644 21.160 650 H TRP 84 H TRP 84 -9.467 15.096 22.465 651 HA TRP 84 HA TRP 84 -9.407 16.057 19.861 652 HB2 TRP 84 HB2 TRP 84 -11.216 16.116 21.938 653 HB3 TRP 84 HB3 TRP 84 -10.823 17.819 21.723 654 HD1 TRP 84 HD1 TRP 84 -13.365 15.583 20.675 655 HE1 TRP 84 HE1 TRP 84 -14.380 16.217 18.397 656 HE3 TRP 84 HE3 TRP 84 -9.728 18.776 19.026 657 HZ2 TRP 84 HZ2 TRP 84 -13.726 17.854 16.192 658 HZ3 TRP 84 HZ3 TRP 84 -9.999 19.834 16.821 659 HH2 TRP 84 HH2 TRP 84 -11.957 19.381 15.435 660 H LEU 85 H LEU 85 -8.998 18.081 22.773 661 HA LEU 85 HA LEU 85 -7.950 20.286 21.367 662 HB2 LEU 85 HB2 LEU 85 -7.555 19.586 24.272 663 HB3 LEU 85 HB3 LEU 85 -7.357 21.177 23.540 664 HG LEU 85 HG LEU 85 -9.418 21.506 24.389 665 HD11 LEU 85 HD11 LEU 85 -10.447 19.813 22.144 666 HD12 LEU 85 HD12 LEU 85 -9.577 21.314 21.829 667 HD13 LEU 85 HD13 LEU 85 -11.072 21.340 22.765 668 HD21 LEU 85 HD21 LEU 85 -10.394 19.916 25.589 669 HD22 LEU 85 HD22 LEU 85 -9.238 18.756 24.935 670 HD23 LEU 85 HD23 LEU 85 -10.790 19.004 24.133 671 H SER 86 H SER 86 -6.375 17.680 23.185 672 HA SER 86 HA SER 86 -3.766 18.496 23.168 673 HB2 SER 86 HB2 SER 86 -5.012 15.776 22.903 674 HB3 SER 86 HB3 SER 86 -3.259 15.958 22.841 675 HG SER 86 HG SER 86 -3.360 15.988 24.931 676 H LEU 87 H LEU 87 -5.498 16.869 20.534 677 HA LEU 87 HA LEU 87 -3.273 16.781 18.771 678 HB2 LEU 87 HB2 LEU 87 -4.929 15.246 18.265 679 HB3 LEU 87 HB3 LEU 87 -6.224 16.421 18.479 680 HG LEU 87 HG LEU 87 -5.454 17.514 16.354 681 HD11 LEU 87 HD11 LEU 87 -3.674 15.097 16.321 682 HD12 LEU 87 HD12 LEU 87 -3.236 16.791 16.108 683 HD13 LEU 87 HD13 LEU 87 -4.135 15.948 14.847 684 HD21 LEU 87 HD21 LEU 87 -6.574 14.749 16.499 685 HD22 LEU 87 HD22 LEU 87 -6.278 15.494 14.929 686 HD23 LEU 87 HD23 LEU 87 -7.372 16.264 16.078 687 H VAL 88 H VAL 88 -6.274 18.667 18.378 688 HA VAL 88 HA VAL 88 -5.452 20.401 16.435 689 HB VAL 88 HB VAL 88 -7.747 20.228 17.585 690 HG11 VAL 88 HG11 VAL 88 -8.224 21.829 19.317 691 HG12 VAL 88 HG12 VAL 88 -6.889 20.801 19.843 692 HG13 VAL 88 HG13 VAL 88 -6.570 22.437 19.266 693 HG21 VAL 88 HG21 VAL 88 -8.385 22.425 16.809 694 HG22 VAL 88 HG22 VAL 88 -6.709 22.970 16.872 695 HG23 VAL 88 HG23 VAL 88 -7.192 21.737 15.707 696 H LYS 89 H LYS 89 -4.545 20.396 19.788 697 HA LYS 89 HA LYS 89 -3.358 23.045 19.648 698 HB2 LYS 89 HB2 LYS 89 -3.526 20.979 21.841 699 HB3 LYS 89 HB3 LYS 89 -2.626 22.480 22.011 700 HG2 LYS 89 HG2 LYS 89 -4.586 23.787 21.852 701 HG3 LYS 89 HG3 LYS 89 -5.545 22.410 21.302 702 HD2 LYS 89 HD2 LYS 89 -6.144 22.609 23.540 703 HD3 LYS 89 HD3 LYS 89 -4.904 21.353 23.571 704 HE2 LYS 89 HE2 LYS 89 -4.718 23.140 25.346 705 HE3 LYS 89 HE3 LYS 89 -3.270 22.854 24.383 706 HZ1 LYS 89 HZ1 LYS 89 -3.470 24.849 23.318 707 HZ2 LYS 89 HZ2 LYS 89 -4.121 25.264 24.823 708 HZ3 LYS 89 HZ3 LYS 89 -5.147 24.935 23.519 709 H ALA 90 H ALA 90 -2.432 19.739 19.287 710 HA ALA 90 HA ALA 90 0.405 20.307 19.592 711 HB1 ALA 90 HB1 ALA 90 0.728 17.924 19.208 712 HB2 ALA 90 HB2 ALA 90 -0.489 18.199 20.455 713 HB3 ALA 90 HB3 ALA 90 -0.984 17.742 18.825 714 H LYS 91 H LYS 91 -1.591 18.812 17.036 715 HA LYS 91 HA LYS 91 0.183 18.778 14.977 716 HB2 LYS 91 HB2 LYS 91 -1.877 19.292 13.494 717 HB3 LYS 91 HB3 LYS 91 -1.894 17.845 14.494 718 HG2 LYS 91 HG2 LYS 91 -3.829 18.526 15.323 719 HG3 LYS 91 HG3 LYS 91 -2.972 19.861 16.097 720 HD2 LYS 91 HD2 LYS 91 -3.597 20.258 13.250 721 HD3 LYS 91 HD3 LYS 91 -4.999 20.161 14.318 722 HE2 LYS 91 HE2 LYS 91 -3.242 21.798 15.686 723 HE3 LYS 91 HE3 LYS 91 -3.032 22.280 14.004 724 HZ1 LYS 91 HZ1 LYS 91 -5.141 22.902 15.751 725 HZ2 LYS 91 HZ2 LYS 91 -5.765 21.997 14.465 726 HZ3 LYS 91 HZ3 LYS 91 -4.906 23.422 14.158 727 H PHE 92 H PHE 92 -1.517 21.570 16.248 728 HA PHE 92 HA PHE 92 -0.535 23.306 14.143 729 HB2 PHE 92 HB2 PHE 92 -2.606 24.073 14.775 730 HB3 PHE 92 HB3 PHE 92 -2.391 23.590 16.454 731 HD1 PHE 92 HD1 PHE 92 -0.990 26.012 13.988 732 HD2 PHE 92 HD2 PHE 92 -2.099 25.238 18.024 733 HE1 PHE 92 HE1 PHE 92 -0.445 28.338 14.580 734 HE2 PHE 92 HE2 PHE 92 -1.557 27.562 18.622 735 HZ PHE 92 HZ PHE 92 -0.730 29.116 16.899 736 H CYS 93 H CYS 93 0.164 22.561 17.499 737 HA CYS 93 HA CYS 93 2.059 24.709 17.797 738 HB2 CYS 93 HB2 CYS 93 0.780 23.871 19.724 739 HB3 CYS 93 HB3 CYS 93 1.547 22.297 19.549 740 HG CYS 93 HG CYS 93 3.610 24.938 19.945 741 H GLU 94 H GLU 94 2.116 21.660 16.371 742 HA GLU 94 HA GLU 94 5.013 21.368 16.745 743 HB2 GLU 94 HB2 GLU 94 4.740 19.099 15.895 744 HB3 GLU 94 HB3 GLU 94 3.648 19.388 17.242 745 HG2 GLU 94 HG2 GLU 94 1.993 18.656 15.977 746 HG3 GLU 94 HG3 GLU 94 2.202 20.079 14.959 747 H ALA 95 H ALA 95 2.538 21.930 14.349 748 HA ALA 95 HA ALA 95 4.647 22.264 12.315 749 HB1 ALA 95 HB1 ALA 95 1.797 21.548 11.683 750 HB2 ALA 95 HB2 ALA 95 3.208 21.469 10.627 751 HB3 ALA 95 HB3 ALA 95 3.042 20.331 11.964 752 HA PRO 96 HA PRO 96 3.377 26.445 11.866 753 HB2 PRO 96 HB2 PRO 96 3.978 26.869 9.253 754 HB3 PRO 96 HB3 PRO 96 5.211 26.720 10.510 755 HG2 PRO 96 HG2 PRO 96 4.238 24.670 8.557 756 HG3 PRO 96 HG3 PRO 96 5.898 25.032 9.065 757 HD2 PRO 96 HD2 PRO 96 4.494 22.940 10.059 758 HD3 PRO 96 HD3 PRO 96 5.698 23.825 11.018 759 H GLY 97 H GLY 97 1.092 26.008 12.176 760 HA2 GLY 97 HA2 GLY 97 -1.120 25.994 11.546 761 HA3 GLY 97 HA3 GLY 97 -0.576 27.069 10.266 762 H SER 98 H SER 98 0.681 23.847 10.410 763 HA SER 98 HA SER 98 -0.075 23.219 7.791 764 HB2 SER 98 HB2 SER 98 0.704 21.388 10.071 765 HB3 SER 98 HB3 SER 98 0.575 20.883 8.386 766 HG SER 98 HG SER 98 2.116 22.774 8.074 767 H CYS 99 H CYS 99 -1.158 20.721 7.746 768 HA CYS 99 HA CYS 99 -3.895 21.221 8.703 769 HB2 CYS 99 HB2 CYS 99 -2.869 19.634 6.347 770 HB3 CYS 99 HB3 CYS 99 -4.541 19.578 6.890 771 HG CYS 99 HG CYS 99 -3.741 21.342 4.573 772 H VAL 100 H VAL 100 -5.170 19.338 9.335 773 HA VAL 100 HA VAL 100 -3.496 17.225 10.531 774 HB VAL 100 HB VAL 100 -5.971 17.370 11.907 775 HG11 VAL 100 HG11 VAL 100 -3.164 18.122 12.710 776 HG12 VAL 100 HG12 VAL 100 -4.506 17.883 13.831 777 HG13 VAL 100 HG13 VAL 100 -3.916 16.534 12.859 778 HG21 VAL 100 HG21 VAL 100 -6.213 19.648 11.104 779 HG22 VAL 100 HG22 VAL 100 -5.860 19.648 12.832 780 HG23 VAL 100 HG23 VAL 100 -4.591 20.043 11.673 781 H ALA 101 H ALA 101 -3.774 15.402 9.428 782 HA ALA 101 HA ALA 101 -6.200 14.855 7.972 783 HB1 ALA 101 HB1 ALA 101 -3.636 14.178 7.533 784 HB2 ALA 101 HB2 ALA 101 -4.213 12.702 8.309 785 HB3 ALA 101 HB3 ALA 101 -5.007 13.301 6.852 786 H VAL 102 H VAL 102 -7.938 13.902 8.786 787 HA VAL 102 HA VAL 102 -7.615 11.909 10.917 788 HB VAL 102 HB VAL 102 -9.564 12.799 12.117 789 HG11 VAL 102 HG11 VAL 102 -7.555 15.010 11.784 790 HG12 VAL 102 HG12 VAL 102 -8.447 14.548 13.235 791 HG13 VAL 102 HG13 VAL 102 -7.174 13.500 12.609 792 HG21 VAL 102 HG21 VAL 102 -10.469 14.992 11.584 793 HG22 VAL 102 HG22 VAL 102 -9.383 15.123 10.201 794 HG23 VAL 102 HG23 VAL 102 -10.653 13.900 10.211 795 H HIS 103 H HIS 103 -9.084 10.238 10.887 796 HA HIS 103 HA HIS 103 -10.541 9.902 8.404 797 HB2 HIS 103 HB2 HIS 103 -9.209 8.038 9.258 798 HB3 HIS 103 HB3 HIS 103 -10.151 8.025 10.746 799 HD1 HIS 103 HD1 HIS 103 -12.822 7.510 10.322 800 HD2 HIS 103 HD2 HIS 103 -10.146 6.346 7.365 801 HE1 HIS 103 HE1 HIS 103 -14.048 5.805 8.940 802 H CYS 104 H CYS 104 -12.691 10.017 8.144 803 HA CYS 104 HA CYS 104 -14.480 9.864 10.420 804 HB2 CYS 104 HB2 CYS 104 -13.664 12.292 10.147 805 HB3 CYS 104 HB3 CYS 104 -14.638 12.318 8.682 806 HG CYS 104 HG CYS 104 -15.774 11.869 11.876 807 H VAL 105 H VAL 105 -16.681 9.577 9.831 808 HA VAL 105 HA VAL 105 -16.994 8.293 7.260 809 HB VAL 105 HB VAL 105 -19.172 7.598 8.039 810 HG11 VAL 105 HG11 VAL 105 -17.024 6.527 8.914 811 HG12 VAL 105 HG12 VAL 105 -17.365 7.368 10.427 812 HG13 VAL 105 HG13 VAL 105 -18.514 6.189 9.794 813 HG21 VAL 105 HG21 VAL 105 -19.394 8.459 10.661 814 HG22 VAL 105 HG22 VAL 105 -18.882 9.900 9.782 815 HG23 VAL 105 HG23 VAL 105 -20.337 9.035 9.286 816 H ALA 106 H ALA 106 -19.812 8.846 6.986 817 HA ALA 106 HA ALA 106 -19.762 10.962 5.187 818 HB1 ALA 106 HB1 ALA 106 -21.577 9.050 5.856 819 HB2 ALA 106 HB2 ALA 106 -22.366 10.511 6.453 820 HB3 ALA 106 HB3 ALA 106 -21.889 10.396 4.759 821 H GLY 107 H GLY 107 -20.269 10.957 8.638 822 HA2 GLY 107 HA2 GLY 107 -19.592 13.227 9.573 823 HA3 GLY 107 HA3 GLY 107 -20.874 13.844 8.541 824 H LEU 108 H LEU 108 -22.944 13.806 9.251 825 HA LEU 108 HA LEU 108 -24.476 13.984 10.980 826 HB2 LEU 108 HB2 LEU 108 -23.916 11.047 10.654 827 HB3 LEU 108 HB3 LEU 108 -25.241 11.664 11.639 828 HG LEU 108 HG LEU 108 -24.907 12.008 8.660 829 HD11 LEU 108 HD11 LEU 108 -26.977 10.482 10.232 830 HD12 LEU 108 HD12 LEU 108 -25.591 9.754 9.421 831 HD13 LEU 108 HD13 LEU 108 -26.832 10.578 8.477 832 HD21 LEU 108 HD21 LEU 108 -26.490 13.462 10.618 833 HD22 LEU 108 HD22 LEU 108 -27.475 12.736 9.348 834 HD23 LEU 108 HD23 LEU 108 -26.160 13.834 8.926 835 H GLY 109 H GLY 109 -24.938 12.297 13.174 836 HA2 GLY 109 HA2 GLY 109 -24.244 13.084 15.413 837 HA3 GLY 109 HA3 GLY 109 -23.626 11.469 15.100 838 H ARG 110 H ARG 110 -21.434 11.169 14.681 839 HA ARG 110 HA ARG 110 -19.568 12.469 16.076 840 HB2 ARG 110 HB2 ARG 110 -19.402 11.080 13.437 841 HB3 ARG 110 HB3 ARG 110 -17.976 11.911 14.042 842 HG2 ARG 110 HG2 ARG 110 -17.545 9.940 15.015 843 HG3 ARG 110 HG3 ARG 110 -18.691 10.503 16.232 844 HD2 ARG 110 HD2 ARG 110 -19.861 9.165 13.880 845 HD3 ARG 110 HD3 ARG 110 -18.897 8.142 14.945 846 HE ARG 110 HE ARG 110 -20.610 9.583 16.572 847 HH11 ARG 110 HH11 ARG 110 -20.867 7.255 13.995 848 HH12 ARG 110 HH12 ARG 110 -22.360 6.590 14.570 849 HH21 ARG 110 HH21 ARG 110 -22.575 8.715 17.338 850 HH22 ARG 110 HH22 ARG 110 -23.331 7.421 16.471 851 H ALA 111 H ALA 111 -20.200 13.283 12.658 852 HA ALA 111 HA ALA 111 -18.618 15.315 12.094 853 HB1 ALA 111 HB1 ALA 111 -20.126 15.192 10.432 854 HB2 ALA 111 HB2 ALA 111 -21.464 14.850 11.529 855 HB3 ALA 111 HB3 ALA 111 -20.914 16.510 11.299 856 HA PRO 112 HA PRO 112 -20.842 18.796 14.498 857 HB2 PRO 112 HB2 PRO 112 -23.187 18.239 15.748 858 HB3 PRO 112 HB3 PRO 112 -23.096 18.736 14.055 859 HG2 PRO 112 HG2 PRO 112 -23.384 15.989 15.210 860 HG3 PRO 112 HG3 PRO 112 -24.220 16.713 13.824 861 HD2 PRO 112 HD2 PRO 112 -22.124 15.022 13.540 862 HD3 PRO 112 HD3 PRO 112 -22.445 16.345 12.400 863 H VAL 113 H VAL 113 -21.384 15.636 16.020 864 HA VAL 113 HA VAL 113 -21.228 16.326 18.686 865 HB VAL 113 HB VAL 113 -20.451 13.858 17.187 866 HG11 VAL 113 HG11 VAL 113 -18.810 13.612 18.767 867 HG12 VAL 113 HG12 VAL 113 -19.684 14.548 19.981 868 HG13 VAL 113 HG13 VAL 113 -20.177 12.893 19.618 869 HG21 VAL 113 HG21 VAL 113 -22.668 13.664 17.533 870 HG22 VAL 113 HG22 VAL 113 -22.177 13.128 19.139 871 HG23 VAL 113 HG23 VAL 113 -22.664 14.803 18.880 872 H LEU 114 H LEU 114 -18.488 15.149 16.721 873 HA LEU 114 HA LEU 114 -16.525 15.789 18.639 874 HB2 LEU 114 HB2 LEU 114 -16.385 15.309 15.674 875 HB3 LEU 114 HB3 LEU 114 -14.954 15.617 16.655 876 HG LEU 114 HG LEU 114 -14.981 13.309 16.479 877 HD11 LEU 114 HD11 LEU 114 -14.868 14.107 18.834 878 HD12 LEU 114 HD12 LEU 114 -15.467 12.457 18.661 879 HD13 LEU 114 HD13 LEU 114 -16.594 13.775 18.980 880 HD21 LEU 114 HD21 LEU 114 -17.950 13.305 17.006 881 HD22 LEU 114 HD22 LEU 114 -16.943 11.914 16.605 882 HD23 LEU 114 HD23 LEU 114 -17.209 13.184 15.410 883 H VAL 115 H VAL 115 -17.262 17.414 15.546 884 HA VAL 115 HA VAL 115 -15.599 19.585 15.769 885 HB VAL 115 HB VAL 115 -17.426 18.875 13.947 886 HG11 VAL 115 HG11 VAL 115 -18.669 21.299 15.233 887 HG12 VAL 115 HG12 VAL 115 -19.263 20.398 13.837 888 HG13 VAL 115 HG13 VAL 115 -19.276 19.656 15.437 889 HG21 VAL 115 HG21 VAL 115 -16.913 20.911 12.776 890 HG22 VAL 115 HG22 VAL 115 -16.485 21.721 14.283 891 HG23 VAL 115 HG23 VAL 115 -15.484 20.402 13.675 892 H ALA 116 H ALA 116 -18.616 18.993 17.425 893 HA ALA 116 HA ALA 116 -19.061 21.640 18.343 894 HB1 ALA 116 HB1 ALA 116 -20.534 20.497 20.042 895 HB2 ALA 116 HB2 ALA 116 -20.908 20.160 18.351 896 HB3 ALA 116 HB3 ALA 116 -20.039 18.967 19.317 897 H LEU 117 H LEU 117 -17.576 18.791 19.870 898 HA LEU 117 HA LEU 117 -17.025 19.812 22.364 899 HB2 LEU 117 HB2 LEU 117 -16.607 17.476 21.479 900 HB3 LEU 117 HB3 LEU 117 -15.094 18.097 20.822 901 HG LEU 117 HG LEU 117 -14.899 16.859 22.994 902 HD11 LEU 117 HD11 LEU 117 -14.031 19.725 23.235 903 HD12 LEU 117 HD12 LEU 117 -13.279 18.594 22.110 904 HD13 LEU 117 HD13 LEU 117 -13.225 18.279 23.844 905 HD21 LEU 117 HD21 LEU 117 -15.716 19.182 24.560 906 HD22 LEU 117 HD22 LEU 117 -16.003 17.465 24.841 907 HD23 LEU 117 HD23 LEU 117 -17.055 18.369 23.751 908 H ALA 118 H ALA 118 -14.803 19.862 19.571 909 HA ALA 118 HA ALA 118 -12.891 21.532 20.813 910 HB1 ALA 118 HB1 ALA 118 -13.165 21.504 17.850 911 HB2 ALA 118 HB2 ALA 118 -11.717 21.413 18.853 912 HB3 ALA 118 HB3 ALA 118 -12.757 20.000 18.677 913 H LEU 119 H LEU 119 -15.670 22.191 18.745 914 HA LEU 119 HA LEU 119 -15.231 24.843 18.111 915 HB2 LEU 119 HB2 LEU 119 -17.063 23.866 17.082 916 HB3 LEU 119 HB3 LEU 119 -17.703 23.236 18.598 917 HG LEU 119 HG LEU 119 -18.463 25.444 19.236 918 HD11 LEU 119 HD11 LEU 119 -17.566 26.491 16.572 919 HD12 LEU 119 HD12 LEU 119 -16.544 26.595 18.005 920 HD13 LEU 119 HD13 LEU 119 -18.118 27.390 17.985 921 HD21 LEU 119 HD21 LEU 119 -19.269 24.828 16.395 922 HD22 LEU 119 HD22 LEU 119 -20.195 25.753 17.578 923 HD23 LEU 119 HD23 LEU 119 -19.915 24.029 17.829 924 H ILE 120 H ILE 120 -16.713 23.497 21.039 925 HA ILE 120 HA ILE 120 -17.343 25.963 22.248 926 HB ILE 120 HB ILE 120 -17.126 23.156 23.171 927 HG12 ILE 120 HG12 ILE 120 -19.368 23.632 24.029 928 HG13 ILE 120 HG13 ILE 120 -19.169 25.339 23.645 929 HG21 ILE 120 HG21 ILE 120 -17.546 23.997 25.548 930 HG22 ILE 120 HG22 ILE 120 -15.890 24.049 24.946 931 HG23 ILE 120 HG23 ILE 120 -16.858 25.523 24.995 932 HD11 ILE 120 HD11 ILE 120 -19.157 23.118 21.617 933 HD12 ILE 120 HD12 ILE 120 -20.554 24.119 22.016 934 HD13 ILE 120 HD13 ILE 120 -19.121 24.851 21.295 935 H GLU 121 H GLU 121 -14.577 23.773 22.751 936 HA GLU 121 HA GLU 121 -13.231 25.418 24.596 937 HB2 GLU 121 HB2 GLU 121 -11.742 23.604 22.734 938 HB3 GLU 121 HB3 GLU 121 -11.458 23.922 24.439 939 HG2 GLU 121 HG2 GLU 121 -13.920 22.796 24.527 940 HG3 GLU 121 HG3 GLU 121 -13.208 21.958 23.149 941 H SER 122 H SER 122 -13.554 25.588 21.179 942 HA SER 122 HA SER 122 -11.183 27.007 20.566 943 HB2 SER 122 HB2 SER 122 -11.951 26.917 18.447 944 HB3 SER 122 HB3 SER 122 -13.252 25.922 19.101 945 HG SER 122 HG SER 122 -14.127 27.632 17.932 946 H GLY 123 H GLY 123 -14.135 27.926 22.067 947 HA2 GLY 123 HA2 GLY 123 -13.816 30.100 23.318 948 HA3 GLY 123 HA3 GLY 123 -13.437 30.777 21.741 949 H MET 124 H MET 124 -15.858 28.365 21.749 950 HA MET 124 HA MET 124 -17.908 30.450 21.416 951 HB2 MET 124 HB2 MET 124 -17.189 28.345 19.737 952 HB3 MET 124 HB3 MET 124 -18.677 27.803 20.500 953 HG2 MET 124 HG2 MET 124 -19.485 28.879 18.652 954 HG3 MET 124 HG3 MET 124 -19.548 30.166 19.854 955 HE1 MET 124 HE1 MET 124 -19.724 32.005 18.477 956 HE2 MET 124 HE2 MET 124 -18.516 32.679 17.383 957 HE3 MET 124 HE3 MET 124 -19.586 31.391 16.829 958 H LYS 125 H LYS 125 -19.973 30.152 22.332 959 HA LYS 125 HA LYS 125 -19.954 28.950 24.910 960 HB2 LYS 125 HB2 LYS 125 -22.601 29.573 23.849 961 HB3 LYS 125 HB3 LYS 125 -21.782 30.208 25.269 962 HG2 LYS 125 HG2 LYS 125 -20.411 31.587 23.560 963 HG3 LYS 125 HG3 LYS 125 -21.736 31.211 22.456 964 HD2 LYS 125 HD2 LYS 125 -22.757 33.004 23.317 965 HD3 LYS 125 HD3 LYS 125 -23.039 32.009 24.748 966 HE2 LYS 125 HE2 LYS 125 -20.408 33.346 24.557 967 HE3 LYS 125 HE3 LYS 125 -21.804 34.389 24.825 968 HZ1 LYS 125 HZ1 LYS 125 -22.218 32.387 26.584 969 HZ2 LYS 125 HZ2 LYS 125 -21.502 33.873 26.961 970 HZ3 LYS 125 HZ3 LYS 125 -20.532 32.530 26.618 971 H TYR 126 H TYR 126 -20.977 27.127 25.665 972 HA TYR 126 HA TYR 126 -21.137 24.902 24.000 973 HB2 TYR 126 HB2 TYR 126 -20.959 24.175 26.142 974 HB3 TYR 126 HB3 TYR 126 -21.882 25.527 26.788 975 HD1 TYR 126 HD2 TYR 126 -22.373 22.410 24.788 976 HD2 TYR 126 HD1 TYR 126 -23.994 25.120 27.639 977 HE1 TYR 126 HE2 TYR 126 -24.321 20.936 25.072 978 HE2 TYR 126 HE1 TYR 126 -25.946 23.653 27.933 979 HH TYR 126 HH TYR 126 -27.061 21.691 26.125 980 H GLU 127 H GLU 127 -23.824 26.748 25.449 981 HA GLU 127 HA GLU 127 -25.888 25.379 24.143 982 HB2 GLU 127 HB2 GLU 127 -25.852 28.251 25.087 983 HB3 GLU 127 HB3 GLU 127 -27.291 27.317 24.705 984 HG2 GLU 127 HG2 GLU 127 -26.114 25.703 26.525 985 HG3 GLU 127 HG3 GLU 127 -25.596 27.287 27.099 986 H ASP 128 H ASP 128 -24.347 28.479 23.303 987 HA ASP 128 HA ASP 128 -25.750 29.057 20.997 988 HB2 ASP 128 HB2 ASP 128 -23.725 30.261 22.292 989 HB3 ASP 128 HB3 ASP 128 -22.831 29.592 20.930 990 H ALA 129 H ALA 129 -22.628 27.338 21.176 991 HA ALA 129 HA ALA 129 -22.406 26.675 18.490 992 HB1 ALA 129 HB1 ALA 129 -20.463 26.165 19.516 993 HB2 ALA 129 HB2 ALA 129 -21.257 25.660 21.008 994 HB3 ALA 129 HB3 ALA 129 -21.191 24.562 19.630 995 H ILE 130 H ILE 130 -23.823 24.737 21.122 996 HA ILE 130 HA ILE 130 -24.559 22.508 19.651 997 HB ILE 130 HB ILE 130 -25.913 23.766 22.034 998 HG12 ILE 130 HG12 ILE 130 -24.162 22.879 23.118 999 HG13 ILE 130 HG13 ILE 130 -24.781 21.290 22.682 1000 HG21 ILE 130 HG21 ILE 130 -27.033 21.569 22.322 1001 HG22 ILE 130 HG22 ILE 130 -27.571 22.455 20.895 1002 HG23 ILE 130 HG23 ILE 130 -26.448 21.106 20.724 1003 HD11 ILE 130 HD11 ILE 130 -23.450 21.402 20.599 1004 HD12 ILE 130 HD12 ILE 130 -22.759 22.921 21.170 1005 HD13 ILE 130 HD13 ILE 130 -22.476 21.430 22.068 1006 H GLN 131 H GLN 131 -26.655 25.276 20.482 1007 HA GLN 131 HA GLN 131 -28.878 24.560 19.015 1008 HB2 GLN 131 HB2 GLN 131 -27.742 27.243 19.755 1009 HB3 GLN 131 HB3 GLN 131 -29.226 27.113 18.820 1010 HG2 GLN 131 HG2 GLN 131 -29.042 27.151 21.551 1011 HG3 GLN 131 HG3 GLN 131 -30.432 26.605 20.613 1012 HE21 GLN 131 HE21 GLN 131 -27.821 25.691 22.647 1013 HE22 GLN 131 HE22 GLN 131 -28.213 24.013 22.769 1014 H PHE 132 H PHE 132 -25.866 25.934 17.916 1015 HA PHE 132 HA PHE 132 -26.732 26.766 15.355 1016 HB2 PHE 132 HB2 PHE 132 -24.558 27.373 16.586 1017 HB3 PHE 132 HB3 PHE 132 -23.936 25.840 15.984 1018 HD1 PHE 132 HD1 PHE 132 -26.081 28.427 14.376 1019 HD2 PHE 132 HD2 PHE 132 -22.387 26.312 14.348 1020 HE1 PHE 132 HE1 PHE 132 -25.479 29.511 12.251 1021 HE2 PHE 132 HE2 PHE 132 -21.779 27.394 12.224 1022 HZ PHE 132 HZ PHE 132 -23.326 28.997 11.173 1023 H ILE 133 H ILE 133 -24.621 23.997 16.123 1024 HA ILE 133 HA ILE 133 -25.006 22.725 13.640 1025 HB ILE 133 HB ILE 133 -24.093 20.685 14.810 1026 HG12 ILE 133 HG12 ILE 133 -23.450 22.437 17.141 1027 HG13 ILE 133 HG13 ILE 133 -25.041 21.686 17.076 1028 HG21 ILE 133 HG21 ILE 133 -22.733 23.328 14.676 1029 HG22 ILE 133 HG22 ILE 133 -21.880 21.973 15.412 1030 HG23 ILE 133 HG23 ILE 133 -22.442 21.860 13.745 1031 HD11 ILE 133 HD11 ILE 133 -22.517 20.098 16.778 1032 HD12 ILE 133 HD12 ILE 133 -23.233 20.456 18.349 1033 HD13 ILE 133 HD13 ILE 133 -24.141 19.525 17.158 1034 H ARG 134 H ARG 134 -26.991 22.914 16.403 1035 HA ARG 134 HA ARG 134 -28.410 20.441 15.897 1036 HB2 ARG 134 HB2 ARG 134 -28.657 22.653 17.906 1037 HB3 ARG 134 HB3 ARG 134 -29.980 21.516 17.686 1038 HG2 ARG 134 HG2 ARG 134 -27.852 19.837 17.923 1039 HG3 ARG 134 HG3 ARG 134 -27.390 21.162 18.992 1040 HD2 ARG 134 HD2 ARG 134 -29.838 19.425 19.116 1041 HD3 ARG 134 HD3 ARG 134 -28.586 19.641 20.338 1042 HE ARG 134 HE ARG 134 -29.637 22.122 20.072 1043 HH11 ARG 134 HH11 ARG 134 -31.014 18.981 20.667 1044 HH12 ARG 134 HH12 ARG 134 -32.344 19.595 21.592 1045 HH21 ARG 134 HH21 ARG 134 -31.384 22.943 21.288 1046 HH22 ARG 134 HH22 ARG 134 -32.554 21.849 21.944 1047 H GLN 135 H GLN 135 -29.044 23.922 15.617 1048 HA GLN 135 HA GLN 135 -31.672 23.665 14.612 1049 HB2 GLN 135 HB2 GLN 135 -31.572 25.987 14.147 1050 HB3 GLN 135 HB3 GLN 135 -30.614 25.742 15.601 1051 HG2 GLN 135 HG2 GLN 135 -28.585 25.993 14.426 1052 HG3 GLN 135 HG3 GLN 135 -29.392 25.868 12.863 1053 HE21 GLN 135 HE21 GLN 135 -27.874 27.913 12.911 1054 HE22 GLN 135 HE22 GLN 135 -28.704 29.396 13.223 1055 H LYS 136 H LYS 136 -28.533 23.503 13.125 1056 HA LYS 136 HA LYS 136 -29.639 23.658 10.436 1057 HB2 LYS 136 HB2 LYS 136 -27.351 23.581 9.669 1058 HB3 LYS 136 HB3 LYS 136 -27.473 24.747 10.979 1059 HG2 LYS 136 HG2 LYS 136 -25.996 23.646 12.219 1060 HG3 LYS 136 HG3 LYS 136 -26.805 22.101 11.948 1061 HD2 LYS 136 HD2 LYS 136 -24.557 21.989 11.078 1062 HD3 LYS 136 HD3 LYS 136 -25.702 21.961 9.735 1063 HE2 LYS 136 HE2 LYS 136 -24.882 23.851 8.878 1064 HE3 LYS 136 HE3 LYS 136 -24.910 24.661 10.444 1065 HZ1 LYS 136 HZ1 LYS 136 -22.674 24.598 9.849 1066 HZ2 LYS 136 HZ2 LYS 136 -22.759 23.011 9.269 1067 HZ3 LYS 136 HZ3 LYS 136 -22.829 23.308 10.933 1068 H ARG 137 H ARG 137 -30.393 21.460 12.215 1069 HA ARG 137 HA ARG 137 -30.383 19.345 10.424 1070 HB2 ARG 137 HB2 ARG 137 -27.910 19.574 11.864 1071 HB3 ARG 137 HB3 ARG 137 -28.731 18.096 12.348 1072 HG2 ARG 137 HG2 ARG 137 -28.068 18.897 9.522 1073 HG3 ARG 137 HG3 ARG 137 -27.203 17.705 10.495 1074 HD2 ARG 137 HD2 ARG 137 -29.269 16.371 10.647 1075 HD3 ARG 137 HD3 ARG 137 -30.084 17.546 9.616 1076 HE ARG 137 HE ARG 137 -28.307 15.468 8.784 1077 HH11 ARG 137 HH11 ARG 137 -29.467 18.660 8.017 1078 HH12 ARG 137 HH12 ARG 137 -29.127 18.518 6.324 1079 HH21 ARG 137 HH21 ARG 137 -27.854 15.270 6.558 1080 HH22 ARG 137 HH22 ARG 137 -28.210 16.589 5.495 1081 H ARG 138 H ARG 138 -30.458 17.119 12.002 1082 HA ARG 138 HA ARG 138 -32.482 17.801 14.034 1083 HB2 ARG 138 HB2 ARG 138 -32.413 15.349 12.265 1084 HB3 ARG 138 HB3 ARG 138 -33.633 15.716 13.476 1085 HG2 ARG 138 HG2 ARG 138 -33.252 17.816 11.472 1086 HG3 ARG 138 HG3 ARG 138 -33.842 16.281 10.830 1087 HD2 ARG 138 HD2 ARG 138 -35.839 17.214 11.386 1088 HD3 ARG 138 HD3 ARG 138 -35.451 16.465 12.935 1089 HE ARG 138 HE ARG 138 -34.477 19.154 12.691 1090 HH11 ARG 138 HH11 ARG 138 -37.219 17.176 13.520 1091 HH12 ARG 138 HH12 ARG 138 -37.941 18.376 14.540 1092 HH21 ARG 138 HH21 ARG 138 -35.418 20.742 14.032 1093 HH22 ARG 138 HH22 ARG 138 -36.916 20.404 14.830 1094 H GLY 139 H GLY 139 -31.586 17.498 15.972 1095 HA2 GLY 139 HA2 GLY 139 -30.394 16.549 17.692 1096 HA3 GLY 139 HA3 GLY 139 -30.944 15.024 17.016 1097 H ALA 140 H ALA 140 -28.712 17.453 15.698 1098 HA ALA 140 HA ALA 140 -26.904 15.591 14.665 1099 HB1 ALA 140 HB1 ALA 140 -27.054 18.462 14.943 1100 HB2 ALA 140 HB2 ALA 140 -25.405 17.877 15.170 1101 HB3 ALA 140 HB3 ALA 140 -26.282 17.490 13.690 1102 H ILE 141 H ILE 141 -26.370 17.711 17.489 1103 HA ILE 141 HA ILE 141 -24.345 15.843 18.460 1104 HB ILE 141 HB ILE 141 -23.651 18.142 18.456 1105 HG12 ILE 141 HG12 ILE 141 -24.259 17.711 21.354 1106 HG13 ILE 141 HG13 ILE 141 -23.263 16.531 20.508 1107 HG21 ILE 141 HG21 ILE 141 -24.812 19.924 19.440 1108 HG22 ILE 141 HG22 ILE 141 -26.052 18.993 18.602 1109 HG23 ILE 141 HG23 ILE 141 -25.870 18.847 20.350 1110 HD11 ILE 141 HD11 ILE 141 -21.532 17.998 20.223 1111 HD12 ILE 141 HD12 ILE 141 -22.577 19.417 20.297 1112 HD13 ILE 141 HD13 ILE 141 -22.180 18.537 21.772 1113 H ASN 142 H ASN 142 -27.189 17.578 19.733 1114 HA ASN 142 HA ASN 142 -27.724 16.979 22.133 1115 HB2 ASN 142 HB2 ASN 142 -29.633 17.494 20.849 1116 HB3 ASN 142 HB3 ASN 142 -29.452 16.058 19.845 1117 HD21 ASN 142 HD21 ASN 142 -31.421 15.176 20.199 1118 HD22 ASN 142 HD22 ASN 142 -31.959 14.604 21.738 1119 H SER 143 H SER 143 -26.428 15.536 23.199 1120 HA SER 143 HA SER 143 -27.312 12.977 23.695 1121 HB2 SER 143 HB2 SER 143 -26.231 12.971 21.171 1122 HB3 SER 143 HB3 SER 143 -24.864 12.451 22.156 1123 HG SER 143 HG SER 143 -26.711 10.913 21.321 1124 H LYS 144 H LYS 144 -24.746 11.658 23.944 1125 HA LYS 144 HA LYS 144 -23.971 12.347 26.468 1126 HB2 LYS 144 HB2 LYS 144 -22.041 11.348 24.373 1127 HB3 LYS 144 HB3 LYS 144 -21.954 11.095 26.111 1128 HG2 LYS 144 HG2 LYS 144 -23.963 9.928 24.201 1129 HG3 LYS 144 HG3 LYS 144 -22.697 9.073 25.084 1130 HD2 LYS 144 HD2 LYS 144 -23.870 9.985 27.196 1131 HD3 LYS 144 HD3 LYS 144 -25.239 10.279 26.121 1132 HE2 LYS 144 HE2 LYS 144 -23.880 7.630 26.610 1133 HE3 LYS 144 HE3 LYS 144 -25.459 8.121 27.220 1134 HZ1 LYS 144 HZ1 LYS 144 -26.219 7.120 25.389 1135 HZ2 LYS 144 HZ2 LYS 144 -24.719 7.147 24.610 1136 HZ3 LYS 144 HZ3 LYS 144 -25.718 8.512 24.569 1137 H GLN 145 H GLN 145 -23.096 13.908 23.486 1138 HA GLN 145 HA GLN 145 -20.828 15.320 24.343 1139 HB2 GLN 145 HB2 GLN 145 -22.805 16.456 22.388 1140 HB3 GLN 145 HB3 GLN 145 -21.054 16.613 22.399 1141 HG2 GLN 145 HG2 GLN 145 -22.736 14.310 21.517 1142 HG3 GLN 145 HG3 GLN 145 -21.446 15.149 20.656 1143 HE21 GLN 145 HE21 GLN 145 -19.407 15.126 22.417 1144 HE22 GLN 145 HE22 GLN 145 -18.921 13.505 22.762 1145 H LEU 146 H LEU 146 -24.196 16.472 24.081 1146 HA LEU 146 HA LEU 146 -23.905 18.964 25.192 1147 HB2 LEU 146 HB2 LEU 146 -26.082 17.069 24.822 1148 HB3 LEU 146 HB3 LEU 146 -26.317 18.109 26.225 1149 HG LEU 146 HG LEU 146 -26.015 20.081 24.728 1150 HD11 LEU 146 HD11 LEU 146 -25.855 17.910 22.668 1151 HD12 LEU 146 HD12 LEU 146 -24.798 19.302 22.901 1152 HD13 LEU 146 HD13 LEU 146 -26.425 19.528 22.258 1153 HD21 LEU 146 HD21 LEU 146 -28.239 18.136 24.574 1154 HD22 LEU 146 HD22 LEU 146 -28.234 19.438 23.384 1155 HD23 LEU 146 HD23 LEU 146 -28.234 19.817 25.107 1156 H THR 147 H THR 147 -24.530 15.919 26.917 1157 HA THR 147 HA THR 147 -24.684 16.938 29.501 1158 HB THR 147 HB THR 147 -24.299 14.738 30.307 1159 HG1 THR 147 HG1 THR 147 -22.856 13.472 29.418 1160 HG21 THR 147 HG21 THR 147 -25.385 14.027 27.627 1161 HG22 THR 147 HG22 THR 147 -26.254 15.221 28.591 1162 HG23 THR 147 HG23 THR 147 -25.976 13.602 29.233 1163 H TYR 148 H TYR 148 -21.847 15.866 27.663 1164 HA TYR 148 HA TYR 148 -19.914 16.048 29.631 1165 HB2 TYR 148 HB2 TYR 148 -19.633 16.754 26.703 1166 HB3 TYR 148 HB3 TYR 148 -18.301 16.413 27.801 1167 HD1 TYR 148 HD2 TYR 148 -19.862 14.124 29.249 1168 HD2 TYR 148 HD1 TYR 148 -19.044 14.987 25.164 1169 HE1 TYR 148 HE2 TYR 148 -20.034 11.730 28.715 1170 HE2 TYR 148 HE1 TYR 148 -19.215 12.594 24.618 1171 HH TYR 148 HH TYR 148 -20.283 10.242 26.986 1172 H LEU 149 H LEU 149 -20.544 18.579 27.194 1173 HA LEU 149 HA LEU 149 -19.056 20.574 28.475 1174 HB2 LEU 149 HB2 LEU 149 -20.439 20.337 26.109 1175 HB3 LEU 149 HB3 LEU 149 -21.356 21.564 26.980 1176 HG LEU 149 HG LEU 149 -19.802 22.711 25.615 1177 HD11 LEU 149 HD11 LEU 149 -20.014 23.307 28.125 1178 HD12 LEU 149 HD12 LEU 149 -18.738 24.056 27.166 1179 HD13 LEU 149 HD13 LEU 149 -18.360 22.704 28.234 1180 HD21 LEU 149 HD21 LEU 149 -18.136 21.362 24.892 1181 HD22 LEU 149 HD22 LEU 149 -17.978 20.539 26.444 1182 HD23 LEU 149 HD23 LEU 149 -17.257 22.133 26.213 1183 H GLU 150 H GLU 150 -22.196 19.332 29.129 1184 HA GLU 150 HA GLU 150 -23.360 21.559 30.396 1185 HB2 GLU 150 HB2 GLU 150 -24.404 19.282 29.690 1186 HB3 GLU 150 HB3 GLU 150 -23.891 18.742 31.282 1187 HG2 GLU 150 HG2 GLU 150 -25.529 21.222 30.964 1188 HG3 GLU 150 HG3 GLU 150 -26.284 19.630 30.973 1189 H LYS 151 H LYS 151 -21.446 18.863 31.687 1190 HA LYS 151 HA LYS 151 -21.303 20.231 34.276 1191 HB2 LYS 151 HB2 LYS 151 -20.848 17.405 33.386 1192 HB3 LYS 151 HB3 LYS 151 -20.115 17.978 34.879 1193 HG2 LYS 151 HG2 LYS 151 -22.349 18.602 35.706 1194 HG3 LYS 151 HG3 LYS 151 -23.056 17.943 34.229 1195 HD2 LYS 151 HD2 LYS 151 -21.234 16.148 35.702 1196 HD3 LYS 151 HD3 LYS 151 -22.756 16.534 36.509 1197 HE2 LYS 151 HE2 LYS 151 -23.407 15.999 33.832 1198 HE3 LYS 151 HE3 LYS 151 -22.255 14.753 34.309 1199 HZ1 LYS 151 HZ1 LYS 151 -24.968 15.219 35.230 1200 HZ2 LYS 151 HZ2 LYS 151 -23.858 14.778 36.428 1201 HZ3 LYS 151 HZ3 LYS 151 -24.104 13.771 35.091 1202 H TYR 152 H TYR 152 -19.620 20.124 31.455 1203 HA TYR 152 HA TYR 152 -16.970 20.199 32.687 1204 HB2 TYR 152 HB2 TYR 152 -17.398 18.896 30.572 1205 HB3 TYR 152 HB3 TYR 152 -17.662 20.432 29.754 1206 HD1 TYR 152 HD2 TYR 152 -15.706 22.180 30.022 1207 HD2 TYR 152 HD1 TYR 152 -15.274 17.981 30.560 1208 HE1 TYR 152 HE2 TYR 152 -13.289 22.382 29.612 1209 HE2 TYR 152 HE1 TYR 152 -12.856 18.172 30.152 1210 HH TYR 152 HH TYR 152 -11.154 19.548 29.776 1211 H ARG 153 H ARG 153 -15.665 21.991 32.702 1212 HA ARG 153 HA ARG 153 -16.930 24.520 31.869 1213 HB2 ARG 153 HB2 ARG 153 -16.171 25.590 33.778 1214 HB3 ARG 153 HB3 ARG 153 -16.571 23.993 34.397 1215 HG2 ARG 153 HG2 ARG 153 -14.530 24.276 35.355 1216 HG3 ARG 153 HG3 ARG 153 -14.036 23.525 33.836 1217 HD2 ARG 153 HD2 ARG 153 -12.984 25.373 33.137 1218 HD3 ARG 153 HD3 ARG 153 -14.297 26.425 33.665 1219 HE ARG 153 HE ARG 153 -12.793 25.446 35.872 1220 HH11 ARG 153 HH11 ARG 153 -12.755 27.790 33.298 1221 HH12 ARG 153 HH12 ARG 153 -11.721 28.894 34.143 1222 HH21 ARG 153 HH21 ARG 153 -11.431 26.891 36.994 1223 HH22 ARG 153 HH22 ARG 153 -10.968 28.381 36.245 1224 HA PRO 154 HA PRO 154 -13.439 24.999 29.200 1225 HB2 PRO 154 HB2 PRO 154 -13.795 27.627 28.617 1226 HB3 PRO 154 HB3 PRO 154 -14.801 26.346 27.931 1227 HG2 PRO 154 HG2 PRO 154 -15.368 28.169 30.236 1228 HG3 PRO 154 HG3 PRO 154 -16.442 27.664 28.919 1229 HD2 PRO 154 HD2 PRO 154 -16.540 26.552 31.385 1230 HD3 PRO 154 HD3 PRO 154 -16.912 25.637 29.910 1231 H LYS 155 H LYS 155 -11.504 24.929 30.192 1232 HA LYS 155 HA LYS 155 -10.782 26.875 32.214 1233 HB2 LYS 155 HB2 LYS 155 -8.789 25.559 32.528 1234 HB3 LYS 155 HB3 LYS 155 -10.167 24.471 32.420 1235 HG2 LYS 155 HG2 LYS 155 -9.551 23.691 30.326 1236 HG3 LYS 155 HG3 LYS 155 -8.531 25.092 29.996 1237 HD2 LYS 155 HD2 LYS 155 -6.873 23.644 30.516 1238 HD3 LYS 155 HD3 LYS 155 -7.280 24.118 32.167 1239 HE2 LYS 155 HE2 LYS 155 -9.057 22.114 31.747 1240 HE3 LYS 155 HE3 LYS 155 -7.699 21.566 30.765 1241 HZ1 LYS 155 HZ1 LYS 155 -6.720 20.876 32.609 1242 HZ2 LYS 155 HZ2 LYS 155 -7.991 21.464 33.557 1243 HZ3 LYS 155 HZ3 LYS 155 -6.674 22.462 33.196 1244 H GLN 156 H GLN 156 -10.994 27.191 29.060 1245 HA GLN 156 HA GLN 156 -10.110 28.659 27.559 1246 HB2 GLN 156 HB2 GLN 156 -8.165 29.572 29.667 1247 HB3 GLN 156 HB3 GLN 156 -8.802 30.481 28.304 1248 HG2 GLN 156 HG2 GLN 156 -10.442 29.554 30.650 1249 HG3 GLN 156 HG3 GLN 156 -9.735 31.161 30.489 1250 HE21 GLN 156 HE21 GLN 156 -11.465 32.427 30.254 1251 HE22 GLN 156 HE22 GLN 156 -12.666 32.251 29.025 1252 H ARG 157 H ARG 157 -9.325 26.433 26.825 1253 HA ARG 157 HA ARG 157 -6.401 26.223 26.939 1254 HB2 ARG 157 HB2 ARG 157 -7.014 23.977 25.703 1255 HB3 ARG 157 HB3 ARG 157 -7.179 24.121 27.448 1256 HG2 ARG 157 HG2 ARG 157 -9.528 24.821 25.780 1257 HG3 ARG 157 HG3 ARG 157 -9.093 23.117 25.927 1258 HD2 ARG 157 HD2 ARG 157 -9.078 23.434 28.415 1259 HD3 ARG 157 HD3 ARG 157 -9.744 25.044 28.148 1260 HE ARG 157 HE ARG 157 -11.148 22.555 28.012 1261 HH11 ARG 157 HH11 ARG 157 -11.052 25.818 26.803 1262 HH12 ARG 157 HH12 ARG 157 -12.743 25.870 26.432 1263 HH21 ARG 157 HH21 ARG 157 -13.377 22.610 27.529 1264 HH22 ARG 157 HH22 ARG 157 -14.065 24.045 26.847 1265 H LEU 158 H LEU 158 -9.047 25.995 24.560 1266 HA LEU 158 HA LEU 158 -7.159 26.483 22.397 1267 HB2 LEU 158 HB2 LEU 158 -9.858 25.375 22.650 1268 HB3 LEU 158 HB3 LEU 158 -9.627 26.397 21.233 1269 HG LEU 158 HG LEU 158 -9.242 24.160 20.552 1270 HD11 LEU 158 HD11 LEU 158 -7.289 26.137 20.372 1271 HD12 LEU 158 HD12 LEU 158 -7.457 24.709 19.352 1272 HD13 LEU 158 HD13 LEU 158 -6.412 24.660 20.772 1273 HD21 LEU 158 HD21 LEU 158 -8.930 23.030 22.612 1274 HD22 LEU 158 HD22 LEU 158 -7.483 23.966 22.988 1275 HD23 LEU 158 HD23 LEU 158 -7.454 22.786 21.677 1276 H ARG 159 H ARG 159 -6.579 28.596 22.397 1277 HA ARG 159 HA ARG 159 -6.736 30.821 21.935 1278 HB2 ARG 159 HB2 ARG 159 -9.114 29.681 20.740 1279 HB3 ARG 159 HB3 ARG 159 -9.426 31.307 21.333 1280 HG2 ARG 159 HG2 ARG 159 -6.959 31.435 20.011 1281 HG3 ARG 159 HG3 ARG 159 -8.019 30.467 18.984 1282 HD2 ARG 159 HD2 ARG 159 -9.748 32.283 19.266 1283 HD3 ARG 159 HD3 ARG 159 -8.483 33.256 20.016 1284 HE ARG 159 HE ARG 159 -7.799 32.213 17.418 1285 HH11 ARG 159 HH11 ARG 159 -9.266 34.832 19.182 1286 HH12 ARG 159 HH12 ARG 159 -9.029 35.990 17.915 1287 HH21 ARG 159 HH21 ARG 159 -7.481 33.729 15.744 1288 HH22 ARG 159 HH22 ARG 159 -8.015 35.362 15.960 1289 H PHE 160 H PHE 160 -10.095 30.485 22.973 1290 HA PHE 160 HA PHE 160 -9.889 30.974 25.667 1291 HB2 PHE 160 HB2 PHE 160 -9.095 33.272 24.156 1292 HB3 PHE 160 HB3 PHE 160 -10.598 33.639 24.995 1293 HD1 PHE 160 HD2 PHE 160 -10.540 32.559 27.526 1294 HD2 PHE 160 HD1 PHE 160 -7.217 33.951 25.260 1295 HE1 PHE 160 HE2 PHE 160 -9.286 32.941 29.607 1296 HE2 PHE 160 HE1 PHE 160 -5.956 34.333 27.338 1297 HZ PHE 160 HZ PHE 160 -6.991 33.829 29.516 1298 H LYS 161 H LYS 161 -11.863 30.756 26.527 1299 HA LYS 161 HA LYS 161 -14.178 31.181 24.754 1300 HB2 LYS 161 HB2 LYS 161 -13.541 28.810 25.632 1301 HB3 LYS 161 HB3 LYS 161 -14.238 29.370 27.146 1302 HG2 LYS 161 HG2 LYS 161 -15.931 29.866 24.819 1303 HG3 LYS 161 HG3 LYS 161 -15.606 28.158 25.121 1304 HD2 LYS 161 HD2 LYS 161 -16.141 29.152 27.635 1305 HD3 LYS 161 HD3 LYS 161 -17.267 30.038 26.605 1306 HE2 LYS 161 HE2 LYS 161 -18.049 27.902 25.664 1307 HE3 LYS 161 HE3 LYS 161 -16.953 27.040 26.743 1308 HZ1 LYS 161 HZ1 LYS 161 -18.331 28.624 28.437 1309 HZ2 LYS 161 HZ2 LYS 161 -18.691 27.002 28.120 1310 HZ3 LYS 161 HZ3 LYS 161 -19.516 28.227 27.296 1311 H ASP 162 H ASP 162 -16.258 31.562 26.014 1312 HA ASP 162 HA ASP 162 -16.191 33.969 27.329 1313 HB2 ASP 162 HB2 ASP 162 -18.240 32.916 26.418 1314 HB3 ASP 162 HB3 ASP 162 -18.231 31.777 27.762 Start of MODEL 14 1 H1 MET 1 H MET 1 -11.344 -2.012 -4.039 2 HA MET 1 HA MET 1 -10.582 0.272 -2.861 3 HB2 MET 1 HB2 MET 1 -9.004 -0.513 -1.015 4 HB3 MET 1 HB3 MET 1 -10.723 -0.517 -0.646 5 HG2 MET 1 HG2 MET 1 -10.825 -2.909 -1.037 6 HG3 MET 1 HG3 MET 1 -9.119 -2.923 -1.475 7 HE1 MET 1 HE1 MET 1 -9.011 -4.783 1.921 8 HE2 MET 1 HE2 MET 1 -9.894 -4.972 0.405 9 HE3 MET 1 HE3 MET 1 -8.161 -4.641 0.382 10 H ALA 2 H ALA 2 -9.181 0.809 -4.395 11 HA ALA 2 HA ALA 2 -7.438 -1.143 -5.608 12 HB1 ALA 2 HB1 ALA 2 -7.516 0.244 -7.338 13 HB2 ALA 2 HB2 ALA 2 -8.560 1.306 -6.392 14 HB3 ALA 2 HB3 ALA 2 -6.813 1.547 -6.380 15 H ARG 3 H ARG 3 -5.140 0.194 -6.149 16 HA ARG 3 HA ARG 3 -3.943 0.552 -3.480 17 HB2 ARG 3 HB2 ARG 3 -2.948 -0.796 -5.962 18 HB3 ARG 3 HB3 ARG 3 -1.792 -0.105 -4.831 19 HG2 ARG 3 HG2 ARG 3 -1.983 -2.355 -4.220 20 HG3 ARG 3 HG3 ARG 3 -2.955 -1.476 -3.038 21 HD2 ARG 3 HD2 ARG 3 -4.981 -2.042 -4.239 22 HD3 ARG 3 HD3 ARG 3 -4.040 -2.835 -5.502 23 HE ARG 3 HE ARG 3 -3.874 -4.681 -4.164 24 HH11 ARG 3 HH11 ARG 3 -4.847 -1.959 -2.223 25 HH12 ARG 3 HH12 ARG 3 -5.137 -2.909 -0.804 26 HH21 ARG 3 HH21 ARG 3 -4.253 -5.942 -2.301 27 HH22 ARG 3 HH22 ARG 3 -4.798 -5.174 -0.849 28 H MET 4 H MET 4 -2.785 1.241 -6.770 29 HA MET 4 HA MET 4 -1.935 3.883 -5.869 30 HB2 MET 4 HB2 MET 4 -1.239 2.107 -8.165 31 HB3 MET 4 HB3 MET 4 -0.993 3.839 -8.340 32 HG2 MET 4 HG2 MET 4 1.057 2.947 -7.612 33 HG3 MET 4 HG3 MET 4 0.345 3.754 -6.217 34 HE1 MET 4 HE1 MET 4 1.925 0.908 -7.695 35 HE2 MET 4 HE2 MET 4 2.745 1.119 -6.148 36 HE3 MET 4 HE3 MET 4 1.882 -0.381 -6.491 37 H ASN 5 H ASN 5 -2.958 5.708 -6.389 38 HA ASN 5 HA ASN 5 -4.327 6.163 -8.809 39 HB2 ASN 5 HB2 ASN 5 -6.594 6.024 -8.228 40 HB3 ASN 5 HB3 ASN 5 -5.901 4.563 -7.532 41 HD21 ASN 5 HD21 ASN 5 -7.867 7.145 -6.957 42 HD22 ASN 5 HD22 ASN 5 -7.852 7.133 -5.230 43 H ARG 6 H ARG 6 -6.147 8.080 -8.117 44 HA ARG 6 HA ARG 6 -4.457 10.062 -6.746 45 HB2 ARG 6 HB2 ARG 6 -6.703 10.663 -8.667 46 HB3 ARG 6 HB3 ARG 6 -5.446 11.754 -8.101 47 HG2 ARG 6 HG2 ARG 6 -4.594 11.281 -10.141 48 HG3 ARG 6 HG3 ARG 6 -3.890 9.932 -9.247 49 HD2 ARG 6 HD2 ARG 6 -6.443 9.084 -10.030 50 HD3 ARG 6 HD3 ARG 6 -5.760 9.903 -11.434 51 HE ARG 6 HE ARG 6 -3.782 8.231 -10.489 52 HH11 ARG 6 HH11 ARG 6 -7.027 7.896 -11.703 53 HH12 ARG 6 HH12 ARG 6 -6.758 6.316 -12.360 54 HH21 ARG 6 HH21 ARG 6 -3.415 6.150 -11.349 55 HH22 ARG 6 HH22 ARG 6 -4.703 5.323 -12.156 56 HA PRO 7 HA PRO 7 -8.007 9.467 -3.885 57 HB2 PRO 7 HB2 PRO 7 -6.541 9.902 -1.642 58 HB3 PRO 7 HB3 PRO 7 -6.644 8.324 -2.431 59 HG2 PRO 7 HG2 PRO 7 -4.491 10.396 -2.614 60 HG3 PRO 7 HG3 PRO 7 -4.340 8.637 -2.450 61 HD2 PRO 7 HD2 PRO 7 -4.042 9.910 -4.821 62 HD3 PRO 7 HD3 PRO 7 -4.708 8.269 -4.695 63 H ALA 8 H ALA 8 -9.308 11.180 -3.782 64 HA ALA 8 HA ALA 8 -8.138 13.824 -3.233 65 HB1 ALA 8 HB1 ALA 8 -10.126 14.774 -4.267 66 HB2 ALA 8 HB2 ALA 8 -9.331 13.644 -5.363 67 HB3 ALA 8 HB3 ALA 8 -10.792 13.158 -4.502 68 HA PRO 9 HA PRO 9 -10.253 12.875 0.712 69 HB2 PRO 9 HB2 PRO 9 -8.595 14.420 2.207 70 HB3 PRO 9 HB3 PRO 9 -8.204 12.760 1.745 71 HG2 PRO 9 HG2 PRO 9 -7.293 15.333 0.516 72 HG3 PRO 9 HG3 PRO 9 -6.356 13.870 0.872 73 HD2 PRO 9 HD2 PRO 9 -7.266 14.449 -1.612 74 HD3 PRO 9 HD3 PRO 9 -7.097 12.783 -1.021 75 H VAL 10 H VAL 10 -10.460 14.803 2.594 76 HA VAL 10 HA VAL 10 -11.606 17.132 1.203 77 HB VAL 10 HB VAL 10 -12.877 15.423 3.323 78 HG11 VAL 10 HG11 VAL 10 -13.049 17.623 4.229 79 HG12 VAL 10 HG12 VAL 10 -13.506 18.295 2.663 80 HG13 VAL 10 HG13 VAL 10 -14.611 17.218 3.518 81 HG21 VAL 10 HG21 VAL 10 -14.352 16.610 1.042 82 HG22 VAL 10 HG22 VAL 10 -13.182 15.342 0.677 83 HG23 VAL 10 HG23 VAL 10 -14.510 15.021 1.792 84 H GLU 11 H GLU 11 -10.600 18.912 1.842 85 HA GLU 11 HA GLU 11 -9.337 18.984 4.481 86 HB2 GLU 11 HB2 GLU 11 -7.779 19.651 2.884 87 HB3 GLU 11 HB3 GLU 11 -8.972 20.536 1.944 88 HG2 GLU 11 HG2 GLU 11 -9.042 22.289 3.586 89 HG3 GLU 11 HG3 GLU 11 -7.974 21.379 4.653 90 H VAL 12 H VAL 12 -10.169 20.103 6.115 91 HA VAL 12 HA VAL 12 -12.269 22.087 5.523 92 HB VAL 12 HB VAL 12 -13.307 20.261 6.642 93 HG11 VAL 12 HG11 VAL 12 -12.516 19.262 8.667 94 HG12 VAL 12 HG12 VAL 12 -11.182 19.280 7.512 95 HG13 VAL 12 HG13 VAL 12 -11.234 20.462 8.820 96 HG21 VAL 12 HG21 VAL 12 -13.855 22.575 7.418 97 HG22 VAL 12 HG22 VAL 12 -14.193 21.309 8.599 98 HG23 VAL 12 HG23 VAL 12 -12.757 22.318 8.775 99 H SER 13 H SER 13 -11.406 24.051 5.742 100 HA SER 13 HA SER 13 -9.350 24.542 7.745 101 HB2 SER 13 HB2 SER 13 -8.670 26.249 6.425 102 HB3 SER 13 HB3 SER 13 -9.694 25.497 5.201 103 HG SER 13 HG SER 13 -11.283 26.946 5.629 104 H TYR 14 H TYR 14 -9.815 25.271 9.702 105 HA TYR 14 HA TYR 14 -12.478 26.324 10.248 106 HB2 TYR 14 HB2 TYR 14 -10.884 24.602 11.647 107 HB3 TYR 14 HB3 TYR 14 -10.569 26.120 12.480 108 HD1 TYR 14 HD2 TYR 14 -13.634 24.563 11.000 109 HD2 TYR 14 HD1 TYR 14 -11.779 26.257 14.434 110 HE1 TYR 14 HE2 TYR 14 -15.733 24.303 12.255 111 HE2 TYR 14 HE1 TYR 14 -13.872 26.000 15.699 112 HH TYR 14 HH TYR 14 -16.848 25.142 14.173 113 H LYS 15 H LYS 15 -11.945 27.890 12.475 114 HA LYS 15 HA LYS 15 -11.591 30.410 11.427 115 HB2 LYS 15 HB2 LYS 15 -11.179 31.158 13.756 116 HB3 LYS 15 HB3 LYS 15 -12.562 30.081 13.616 117 HG2 LYS 15 HG2 LYS 15 -10.842 28.229 14.228 118 HG3 LYS 15 HG3 LYS 15 -9.891 29.582 14.846 119 HD2 LYS 15 HD2 LYS 15 -12.722 28.904 15.646 120 HD3 LYS 15 HD3 LYS 15 -11.274 28.571 16.599 121 HE2 LYS 15 HE2 LYS 15 -11.820 30.542 17.564 122 HE3 LYS 15 HE3 LYS 15 -10.937 31.197 16.186 123 HZ1 LYS 15 HZ1 LYS 15 -13.298 32.071 16.758 124 HZ2 LYS 15 HZ2 LYS 15 -13.820 30.690 15.933 125 HZ3 LYS 15 HZ3 LYS 15 -12.858 31.835 15.141 126 H HIS 16 H HIS 16 -9.152 28.427 13.098 127 HA HIS 16 HA HIS 16 -7.068 29.802 11.582 128 HB2 HIS 16 HB2 HIS 16 -7.329 29.785 14.567 129 HB3 HIS 16 HB3 HIS 16 -5.727 29.794 13.836 130 HD1 HIS 16 HD1 HIS 16 -6.225 31.749 11.516 131 HD2 HIS 16 HD2 HIS 16 -7.543 32.365 15.408 132 HE1 HIS 16 HE1 HIS 16 -6.533 34.235 11.736 133 H MET 17 H MET 17 -8.286 27.122 11.563 134 HA MET 17 HA MET 17 -5.802 25.597 11.827 135 HB2 MET 17 HB2 MET 17 -8.412 24.406 12.731 136 HB3 MET 17 HB3 MET 17 -6.782 23.813 13.017 137 HG2 MET 17 HG2 MET 17 -7.752 26.415 14.148 138 HG3 MET 17 HG3 MET 17 -8.002 24.877 14.971 139 HE1 MET 17 HE1 MET 17 -5.950 27.854 15.383 140 HE2 MET 17 HE2 MET 17 -6.754 26.890 16.622 141 HE3 MET 17 HE3 MET 17 -4.999 27.067 16.643 142 H ARG 18 H ARG 18 -6.365 23.224 10.930 143 HA ARG 18 HA ARG 18 -8.250 23.177 8.771 144 HB2 ARG 18 HB2 ARG 18 -6.115 24.512 8.016 145 HB3 ARG 18 HB3 ARG 18 -5.410 22.907 7.870 146 HG2 ARG 18 HG2 ARG 18 -6.844 22.291 6.158 147 HG3 ARG 18 HG3 ARG 18 -8.026 23.536 6.568 148 HD2 ARG 18 HD2 ARG 18 -5.304 23.964 5.343 149 HD3 ARG 18 HD3 ARG 18 -6.861 24.138 4.534 150 HE ARG 18 HE ARG 18 -6.804 25.832 6.769 151 HH11 ARG 18 HH11 ARG 18 -5.328 25.487 3.635 152 HH12 ARG 18 HH12 ARG 18 -5.058 27.186 3.431 153 HH21 ARG 18 HH21 ARG 18 -6.454 28.071 6.512 154 HH22 ARG 18 HH22 ARG 18 -5.698 28.655 5.068 155 H PHE 19 H PHE 19 -8.935 21.151 8.617 156 HA PHE 19 HA PHE 19 -7.090 18.986 9.386 157 HB2 PHE 19 HB2 PHE 19 -10.040 19.315 9.893 158 HB3 PHE 19 HB3 PHE 19 -9.262 17.738 9.962 159 HD1 PHE 19 HD1 PHE 19 -8.438 21.163 11.202 160 HD2 PHE 19 HD2 PHE 19 -8.874 17.025 12.099 161 HE1 PHE 19 HE1 PHE 19 -7.770 21.600 13.530 162 HE2 PHE 19 HE2 PHE 19 -8.208 17.456 14.427 163 HZ PHE 19 HZ PHE 19 -7.655 19.745 15.146 164 H LEU 20 H LEU 20 -7.796 16.819 8.450 165 HA LEU 20 HA LEU 20 -8.907 17.131 5.748 166 HB2 LEU 20 HB2 LEU 20 -6.201 16.497 6.440 167 HB3 LEU 20 HB3 LEU 20 -6.939 15.118 5.629 168 HG LEU 20 HG LEU 20 -5.830 16.415 3.975 169 HD11 LEU 20 HD11 LEU 20 -8.306 17.531 3.150 170 HD12 LEU 20 HD12 LEU 20 -8.632 15.999 3.958 171 HD13 LEU 20 HD13 LEU 20 -7.520 16.055 2.591 172 HD21 LEU 20 HD21 LEU 20 -6.174 18.764 3.635 173 HD22 LEU 20 HD22 LEU 20 -5.718 18.503 5.319 174 HD23 LEU 20 HD23 LEU 20 -7.403 18.814 4.899 175 H ILE 21 H ILE 21 -10.736 15.991 5.854 176 HA ILE 21 HA ILE 21 -10.868 13.542 7.416 177 HB ILE 21 HB ILE 21 -13.295 13.653 6.276 178 HG12 ILE 21 HG12 ILE 21 -12.356 15.814 5.097 179 HG13 ILE 21 HG13 ILE 21 -14.013 15.769 5.689 180 HG21 ILE 21 HG21 ILE 21 -14.013 14.948 8.293 181 HG22 ILE 21 HG22 ILE 21 -12.970 13.568 8.636 182 HG23 ILE 21 HG23 ILE 21 -12.307 15.202 8.661 183 HD11 ILE 21 HD11 ILE 21 -11.818 16.811 7.424 184 HD12 ILE 21 HD12 ILE 21 -12.551 17.829 6.183 185 HD13 ILE 21 HD13 ILE 21 -13.546 17.157 7.474 186 H THR 22 H THR 22 -10.537 11.595 6.586 187 HA THR 22 HA THR 22 -9.864 11.149 3.897 188 HB THR 22 HB THR 22 -10.730 9.145 5.990 189 HG1 THR 22 HG1 THR 22 -8.102 9.793 5.114 190 HG21 THR 22 HG21 THR 22 -10.728 7.667 4.313 191 HG22 THR 22 HG22 THR 22 -8.985 7.919 4.214 192 HG23 THR 22 HG23 THR 22 -10.071 8.848 3.180 193 H HIS 23 H HIS 23 -12.561 9.493 5.513 194 HA HIS 23 HA HIS 23 -14.621 8.866 4.781 195 HB2 HIS 23 HB2 HIS 23 -14.690 11.467 4.603 196 HB3 HIS 23 HB3 HIS 23 -14.628 11.178 2.867 197 HD1 HIS 23 HD1 HIS 23 -16.941 11.383 5.653 198 HD2 HIS 23 HD2 HIS 23 -16.874 9.523 1.939 199 HE1 HIS 23 HE1 HIS 23 -19.333 10.785 5.158 200 H ASN 24 H ASN 24 -12.527 7.560 3.561 201 HA ASN 24 HA ASN 24 -13.728 6.365 1.358 202 HB2 ASN 24 HB2 ASN 24 -12.390 8.819 0.698 203 HB3 ASN 24 HB3 ASN 24 -11.541 7.473 -0.057 204 HD21 ASN 24 HD21 ASN 24 -12.213 8.289 -2.085 205 HD22 ASN 24 HD22 ASN 24 -13.817 8.012 -2.663 206 HA PRO 25 HA PRO 25 -10.606 3.415 2.279 207 HB2 PRO 25 HB2 PRO 25 -10.590 1.978 -0.025 208 HB3 PRO 25 HB3 PRO 25 -11.903 1.887 1.154 209 HG2 PRO 25 HG2 PRO 25 -11.754 3.443 -1.399 210 HG3 PRO 25 HG3 PRO 25 -13.102 2.497 -0.742 211 HD2 PRO 25 HD2 PRO 25 -12.983 5.195 -0.546 212 HD3 PRO 25 HD3 PRO 25 -13.748 4.180 0.694 213 H THR 26 H THR 26 -8.877 5.010 2.332 214 HA THR 26 HA THR 26 -7.177 4.925 -0.076 215 HB THR 26 HB THR 26 -7.995 7.206 0.492 216 HG1 THR 26 HG1 THR 26 -5.791 6.646 -0.403 217 HG21 THR 26 HG21 THR 26 -7.884 8.062 2.554 218 HG22 THR 26 HG22 THR 26 -6.189 7.607 2.727 219 HG23 THR 26 HG23 THR 26 -7.458 6.443 3.106 220 H ASN 27 H ASN 27 -7.437 4.249 3.282 221 HA ASN 27 HA ASN 27 -4.554 3.903 3.595 222 HB2 ASN 27 HB2 ASN 27 -5.988 4.993 5.379 223 HB3 ASN 27 HB3 ASN 27 -6.695 3.406 5.667 224 HD21 ASN 27 HD21 ASN 27 -3.378 4.480 5.022 225 HD22 ASN 27 HD22 ASN 27 -2.694 3.780 6.446 226 H ALA 28 H ALA 28 -6.260 2.179 1.864 227 HA ALA 28 HA ALA 28 -6.320 -0.381 3.213 228 HB1 ALA 28 HB1 ALA 28 -7.076 0.560 0.471 229 HB2 ALA 28 HB2 ALA 28 -6.963 -1.161 0.843 230 HB3 ALA 28 HB3 ALA 28 -8.095 -0.139 1.729 231 H THR 29 H THR 29 -4.158 1.409 1.210 232 HA THR 29 HA THR 29 -2.414 -0.959 0.992 233 HB THR 29 HB THR 29 -2.921 -0.508 -1.236 234 HG1 THR 29 HG1 THR 29 -0.575 -0.335 -0.641 235 HG21 THR 29 HG21 THR 29 -4.167 1.557 -0.904 236 HG22 THR 29 HG22 THR 29 -2.994 1.757 -2.206 237 HG23 THR 29 HG23 THR 29 -2.668 2.436 -0.611 238 H LEU 30 H LEU 30 -2.751 2.332 1.957 239 HA LEU 30 HA LEU 30 -1.408 3.723 3.156 240 HB2 LEU 30 HB2 LEU 30 -0.971 1.717 4.504 241 HB3 LEU 30 HB3 LEU 30 0.355 1.291 3.424 242 HG LEU 30 HG LEU 30 0.634 3.959 4.566 243 HD11 LEU 30 HD11 LEU 30 0.746 1.612 6.452 244 HD12 LEU 30 HD12 LEU 30 -0.546 2.812 6.426 245 HD13 LEU 30 HD13 LEU 30 1.102 3.300 6.822 246 HD21 LEU 30 HD21 LEU 30 2.615 1.887 5.152 247 HD22 LEU 30 HD22 LEU 30 2.808 3.456 4.370 248 HD23 LEU 30 HD23 LEU 30 2.247 2.068 3.437 249 H SER 31 H SER 31 -0.804 2.685 0.212 250 HA SER 31 HA SER 31 1.931 3.474 -0.163 251 HB2 SER 31 HB2 SER 31 -0.267 2.457 -1.858 252 HB3 SER 31 HB3 SER 31 0.892 3.508 -2.673 253 HG SER 31 HG SER 31 1.874 1.474 -1.025 254 H THR 32 H THR 32 -1.057 4.806 -1.583 255 HA THR 32 HA THR 32 0.237 7.371 -1.956 256 HB THR 32 HB THR 32 -2.622 6.604 -2.569 257 HG1 THR 32 HG1 THR 32 -0.271 6.516 -4.178 258 HG21 THR 32 HG21 THR 32 -2.409 8.503 -4.201 259 HG22 THR 32 HG22 THR 32 -0.882 8.917 -3.420 260 HG23 THR 32 HG23 THR 32 -2.388 8.982 -2.504 261 H PHE 33 H PHE 33 -1.651 5.860 0.423 262 HA PHE 33 HA PHE 33 -3.265 7.839 1.445 263 HB2 PHE 33 HB2 PHE 33 -3.324 5.630 2.387 264 HB3 PHE 33 HB3 PHE 33 -1.644 5.746 2.900 265 HD1 PHE 33 HD2 PHE 33 -1.049 7.417 4.696 266 HD2 PHE 33 HD1 PHE 33 -5.062 6.341 3.775 267 HE1 PHE 33 HE2 PHE 33 -1.777 8.274 6.884 268 HE2 PHE 33 HE1 PHE 33 -5.797 7.198 5.961 269 HZ PHE 33 HZ PHE 33 -4.154 8.165 7.520 270 H ILE 34 H ILE 34 0.111 7.201 2.403 271 HA ILE 34 HA ILE 34 0.388 9.414 4.094 272 HB ILE 34 HB ILE 34 2.617 8.194 2.469 273 HG12 ILE 34 HG12 ILE 34 1.728 7.272 5.198 274 HG13 ILE 34 HG13 ILE 34 1.114 6.536 3.721 275 HG21 ILE 34 HG21 ILE 34 2.452 10.094 4.674 276 HG22 ILE 34 HG22 ILE 34 3.558 8.756 4.982 277 HG23 ILE 34 HG23 ILE 34 3.774 9.769 3.554 278 HD11 ILE 34 HD11 ILE 34 4.052 6.746 4.244 279 HD12 ILE 34 HD12 ILE 34 3.087 5.424 4.899 280 HD13 ILE 34 HD13 ILE 34 3.191 5.659 3.154 281 H GLU 35 H GLU 35 1.002 9.058 0.629 282 HA GLU 35 HA GLU 35 2.149 11.605 0.230 283 HB2 GLU 35 HB2 GLU 35 0.562 10.096 -1.839 284 HB3 GLU 35 HB3 GLU 35 1.906 11.200 -2.095 285 HG2 GLU 35 HG2 GLU 35 2.887 9.156 -0.449 286 HG3 GLU 35 HG3 GLU 35 1.931 8.366 -1.701 287 H ASP 36 H ASP 36 -1.148 10.491 0.427 288 HA ASP 36 HA ASP 36 -2.399 12.735 -0.755 289 HB2 ASP 36 HB2 ASP 36 -3.342 10.368 -0.081 290 HB3 ASP 36 HB3 ASP 36 -3.733 11.185 1.430 291 H LEU 37 H LEU 37 -1.868 11.886 2.666 292 HA LEU 37 HA LEU 37 -2.828 14.402 3.619 293 HB2 LEU 37 HB2 LEU 37 -2.104 13.654 5.792 294 HB3 LEU 37 HB3 LEU 37 -2.932 12.344 4.952 295 HG LEU 37 HG LEU 37 -0.474 11.639 4.320 296 HD11 LEU 37 HD11 LEU 37 -0.135 13.641 6.457 297 HD12 LEU 37 HD12 LEU 37 0.983 13.119 5.196 298 HD13 LEU 37 HD13 LEU 37 0.770 12.139 6.646 299 HD21 LEU 37 HD21 LEU 37 -1.044 9.920 5.601 300 HD22 LEU 37 HD22 LEU 37 -2.357 10.888 6.271 301 HD23 LEU 37 HD23 LEU 37 -0.779 10.874 7.061 302 H LYS 38 H LYS 38 0.181 13.257 2.435 303 HA LYS 38 HA LYS 38 1.769 15.297 3.735 304 HB2 LYS 38 HB2 LYS 38 2.314 13.059 1.829 305 HB3 LYS 38 HB3 LYS 38 3.485 14.365 1.958 306 HG2 LYS 38 HG2 LYS 38 3.019 13.756 4.579 307 HG3 LYS 38 HG3 LYS 38 2.899 12.178 3.798 308 HD2 LYS 38 HD2 LYS 38 5.168 13.941 3.039 309 HD3 LYS 38 HD3 LYS 38 5.219 13.163 4.622 310 HE2 LYS 38 HE2 LYS 38 5.604 11.136 3.742 311 HE3 LYS 38 HE3 LYS 38 4.436 11.375 2.443 312 HZ1 LYS 38 HZ1 LYS 38 6.559 13.064 1.904 313 HZ2 LYS 38 HZ2 LYS 38 6.143 11.646 1.081 314 HZ3 LYS 38 HZ3 LYS 38 7.253 11.588 2.356 315 H LYS 39 H LYS 39 0.435 14.663 0.528 316 HA LYS 39 HA LYS 39 1.660 16.901 -0.733 317 HB2 LYS 39 HB2 LYS 39 0.266 16.410 -2.610 318 HB3 LYS 39 HB3 LYS 39 0.764 14.873 -1.914 319 HG2 LYS 39 HG2 LYS 39 -1.393 14.645 -0.821 320 HG3 LYS 39 HG3 LYS 39 -1.896 16.211 -1.460 321 HD2 LYS 39 HD2 LYS 39 -0.952 14.108 -3.353 322 HD3 LYS 39 HD3 LYS 39 -2.575 13.980 -2.670 323 HE2 LYS 39 HE2 LYS 39 -2.670 16.528 -3.400 324 HE3 LYS 39 HE3 LYS 39 -1.448 15.987 -4.550 325 HZ1 LYS 39 HZ1 LYS 39 -3.162 15.349 -5.794 326 HZ2 LYS 39 HZ2 LYS 39 -4.270 15.494 -4.524 327 HZ3 LYS 39 HZ3 LYS 39 -3.371 14.073 -4.703 328 H TYR 40 H TYR 40 -1.415 16.375 0.895 329 HA TYR 40 HA TYR 40 -2.561 18.877 0.160 330 HB2 TYR 40 HB2 TYR 40 -3.242 16.663 2.014 331 HB3 TYR 40 HB3 TYR 40 -3.939 18.237 2.380 332 HD1 TYR 40 HD2 TYR 40 -3.548 15.817 -0.431 333 HD2 TYR 40 HD1 TYR 40 -5.910 18.883 1.336 334 HE1 TYR 40 HE2 TYR 40 -5.305 15.422 -2.107 335 HE2 TYR 40 HE1 TYR 40 -7.674 18.496 -0.334 336 HH TYR 40 HH TYR 40 -7.797 17.543 -2.694 337 H GLY 41 H GLY 41 -0.020 18.135 2.172 338 HA2 GLY 41 HA2 GLY 41 1.257 19.600 3.446 339 HA3 GLY 41 HA3 GLY 41 -0.016 20.801 3.289 340 H ALA 42 H ALA 42 -0.515 17.530 4.464 341 HA ALA 42 HA ALA 42 -1.248 18.667 7.078 342 HB1 ALA 42 HB1 ALA 42 -2.119 15.983 6.047 343 HB2 ALA 42 HB2 ALA 42 -2.827 16.947 7.343 344 HB3 ALA 42 HB3 ALA 42 -2.993 17.467 5.666 345 H THR 43 H THR 43 0.180 18.341 8.639 346 HA THR 43 HA THR 43 2.110 16.168 8.427 347 HB THR 43 HB THR 43 3.319 17.233 10.214 348 HG1 THR 43 HG1 THR 43 1.145 19.067 10.422 349 HG21 THR 43 HG21 THR 43 2.424 19.641 8.719 350 HG22 THR 43 HG22 THR 43 3.089 18.299 7.788 351 HG23 THR 43 HG23 THR 43 4.054 19.059 9.053 352 H THR 44 H THR 44 -0.599 15.436 8.953 353 HA THR 44 HA THR 44 -0.189 14.003 11.459 354 HB THR 44 HB THR 44 -2.937 14.751 11.428 355 HG1 THR 44 HG1 THR 44 -1.236 17.023 11.568 356 HG21 THR 44 HG21 THR 44 -0.857 15.794 13.330 357 HG22 THR 44 HG22 THR 44 -1.347 14.100 13.336 358 HG23 THR 44 HG23 THR 44 -2.535 15.363 13.656 359 H VAL 45 H VAL 45 -1.146 12.003 11.520 360 HA VAL 45 HA VAL 45 -2.184 11.022 8.985 361 HB VAL 45 HB VAL 45 -1.839 9.295 11.407 362 HG11 VAL 45 HG11 VAL 45 -2.171 7.664 9.938 363 HG12 VAL 45 HG12 VAL 45 -2.461 8.882 8.694 364 HG13 VAL 45 HG13 VAL 45 -0.836 8.241 8.942 365 HG21 VAL 45 HG21 VAL 45 0.195 10.612 11.337 366 HG22 VAL 45 HG22 VAL 45 0.527 8.965 10.801 367 HG23 VAL 45 HG23 VAL 45 0.390 10.265 9.619 368 H VAL 46 H VAL 46 -4.192 10.120 8.680 369 HA VAL 46 HA VAL 46 -6.287 11.064 10.386 370 HB VAL 46 HB VAL 46 -7.808 10.251 8.795 371 HG11 VAL 46 HG11 VAL 46 -6.668 12.060 7.822 372 HG12 VAL 46 HG12 VAL 46 -5.235 11.086 7.486 373 HG13 VAL 46 HG13 VAL 46 -6.717 10.824 6.565 374 HG21 VAL 46 HG21 VAL 46 -6.496 8.693 6.936 375 HG22 VAL 46 HG22 VAL 46 -5.843 8.130 8.474 376 HG23 VAL 46 HG23 VAL 46 -7.584 8.110 8.196 377 H ARG 47 H ARG 47 -4.730 9.505 11.970 378 HA ARG 47 HA ARG 47 -5.644 6.801 12.112 379 HB2 ARG 47 HB2 ARG 47 -3.904 8.568 13.757 380 HB3 ARG 47 HB3 ARG 47 -4.599 7.156 14.542 381 HG2 ARG 47 HG2 ARG 47 -3.629 5.744 12.751 382 HG3 ARG 47 HG3 ARG 47 -2.841 7.182 12.099 383 HD2 ARG 47 HD2 ARG 47 -1.368 7.336 13.852 384 HD3 ARG 47 HD3 ARG 47 -2.456 6.523 14.976 385 HE ARG 47 HE ARG 47 -1.426 4.569 14.433 386 HH11 ARG 47 HH11 ARG 47 -0.984 6.807 11.803 387 HH12 ARG 47 HH12 ARG 47 0.021 5.734 10.887 388 HH21 ARG 47 HH21 ARG 47 -0.103 3.147 13.236 389 HH22 ARG 47 HH22 ARG 47 0.521 3.652 11.702 390 H VAL 48 H VAL 48 -7.317 9.510 12.595 391 HA VAL 48 HA VAL 48 -8.545 9.117 15.121 392 HB VAL 48 HB VAL 48 -9.431 10.646 12.678 393 HG11 VAL 48 HG11 VAL 48 -10.835 11.601 14.892 394 HG12 VAL 48 HG12 VAL 48 -11.489 10.703 13.520 395 HG13 VAL 48 HG13 VAL 48 -10.979 9.846 14.975 396 HG21 VAL 48 HG21 VAL 48 -8.947 12.588 14.205 397 HG22 VAL 48 HG22 VAL 48 -8.219 11.433 15.321 398 HG23 VAL 48 HG23 VAL 48 -7.539 11.650 13.708 399 H CYS 49 H CYS 49 -8.959 6.810 15.024 400 HA CYS 49 HA CYS 49 -11.603 6.140 14.651 401 HB2 CYS 49 HB2 CYS 49 -10.237 6.244 12.159 402 HB3 CYS 49 HB3 CYS 49 -10.564 4.551 12.513 403 HG CYS 49 HG CYS 49 -13.135 4.587 12.130 404 H GLU 50 H GLU 50 -11.447 3.461 13.849 405 HA GLU 50 HA GLU 50 -10.369 2.286 16.211 406 HB2 GLU 50 HB2 GLU 50 -11.075 0.136 15.155 407 HB3 GLU 50 HB3 GLU 50 -12.355 1.335 15.260 408 HG2 GLU 50 HG2 GLU 50 -11.202 1.790 12.784 409 HG3 GLU 50 HG3 GLU 50 -11.222 0.035 12.943 410 H VAL 51 H VAL 51 -8.153 3.216 15.696 411 HA VAL 51 HA VAL 51 -6.550 2.102 13.659 412 HB VAL 51 HB VAL 51 -4.621 2.850 15.124 413 HG11 VAL 51 HG11 VAL 51 -5.256 4.345 13.451 414 HG12 VAL 51 HG12 VAL 51 -6.807 4.692 14.217 415 HG13 VAL 51 HG13 VAL 51 -5.315 5.316 14.921 416 HG21 VAL 51 HG21 VAL 51 -5.959 2.595 17.250 417 HG22 VAL 51 HG22 VAL 51 -5.039 4.092 17.097 418 HG23 VAL 51 HG23 VAL 51 -6.779 4.094 16.812 419 H THR 52 H THR 52 -5.249 0.336 13.588 420 HA THR 52 HA THR 52 -4.807 -1.267 15.970 421 HB THR 52 HB THR 52 -5.715 -3.312 15.083 422 HG1 THR 52 HG1 THR 52 -5.786 -3.418 12.970 423 HG21 THR 52 HG21 THR 52 -8.106 -2.789 15.044 424 HG22 THR 52 HG22 THR 52 -7.733 -1.083 14.791 425 HG23 THR 52 HG23 THR 52 -7.277 -1.872 16.301 426 H TYR 53 H TYR 53 -3.230 0.258 13.965 427 HA TYR 53 HA TYR 53 -1.289 -1.843 13.402 428 HB2 TYR 53 HB2 TYR 53 -1.908 -1.920 11.237 429 HB3 TYR 53 HB3 TYR 53 -2.850 -0.438 11.360 430 HD1 TYR 53 HD1 TYR 53 0.501 -1.821 10.708 431 HD2 TYR 53 HD2 TYR 53 -1.921 1.677 10.722 432 HE1 TYR 53 HE1 TYR 53 2.236 -0.622 9.443 433 HE2 TYR 53 HE2 TYR 53 -0.193 2.886 9.456 434 HH TYR 53 HH TYR 53 1.901 2.819 8.675 435 H ASP 54 H ASP 54 0.631 -1.197 14.092 436 HA ASP 54 HA ASP 54 1.198 1.262 15.205 437 HB2 ASP 54 HB2 ASP 54 2.850 -1.005 14.212 438 HB3 ASP 54 HB3 ASP 54 3.677 0.516 14.538 439 H LYS 55 H LYS 55 2.997 2.767 14.442 440 HA LYS 55 HA LYS 55 2.487 3.473 11.629 441 HB2 LYS 55 HB2 LYS 55 3.612 5.693 12.916 442 HB3 LYS 55 HB3 LYS 55 1.937 5.487 12.421 443 HG2 LYS 55 HG2 LYS 55 1.816 6.069 14.673 444 HG3 LYS 55 HG3 LYS 55 1.600 4.317 14.663 445 HD2 LYS 55 HD2 LYS 55 4.290 4.488 14.895 446 HD3 LYS 55 HD3 LYS 55 3.797 5.953 15.748 447 HE2 LYS 55 HE2 LYS 55 2.074 4.280 16.862 448 HE3 LYS 55 HE3 LYS 55 3.303 3.097 16.416 449 HZ1 LYS 55 HZ1 LYS 55 3.316 4.984 18.541 450 HZ2 LYS 55 HZ2 LYS 55 4.678 5.185 17.559 451 HZ3 LYS 55 HZ3 LYS 55 4.358 3.680 18.262 452 H THR 56 H THR 56 4.128 2.618 10.486 453 HA THR 56 HA THR 56 6.861 2.842 11.506 454 HB THR 56 HB THR 56 7.211 0.883 10.512 455 HG1 THR 56 HG1 THR 56 7.587 0.961 8.414 456 HG21 THR 56 HG21 THR 56 4.418 1.097 9.381 457 HG22 THR 56 HG22 THR 56 4.819 0.496 10.989 458 HG23 THR 56 HG23 THR 56 5.365 -0.379 9.559 459 HA PRO 57 HA PRO 57 7.215 4.965 7.179 460 HB2 PRO 57 HB2 PRO 57 4.904 5.467 5.846 461 HB3 PRO 57 HB3 PRO 57 5.811 3.961 5.662 462 HG2 PRO 57 HG2 PRO 57 3.391 4.523 7.332 463 HG3 PRO 57 HG3 PRO 57 3.747 3.114 6.316 464 HD2 PRO 57 HD2 PRO 57 4.063 3.088 9.005 465 HD3 PRO 57 HD3 PRO 57 5.098 2.146 7.913 466 H LEU 58 H LEU 58 3.896 6.000 7.919 467 HA LEU 58 HA LEU 58 4.294 8.708 7.757 468 HB2 LEU 58 HB2 LEU 58 2.285 8.992 9.034 469 HB3 LEU 58 HB3 LEU 58 2.105 7.593 7.977 470 HG LEU 58 HG LEU 58 1.095 7.084 10.081 471 HD11 LEU 58 HD11 LEU 58 2.586 5.379 8.895 472 HD12 LEU 58 HD12 LEU 58 2.143 5.056 10.570 473 HD13 LEU 58 HD13 LEU 58 3.746 5.685 10.188 474 HD21 LEU 58 HD21 LEU 58 1.874 7.699 12.091 475 HD22 LEU 58 HD22 LEU 58 2.911 8.794 11.177 476 HD23 LEU 58 HD23 LEU 58 3.529 7.227 11.704 477 H GLU 59 H GLU 59 5.398 6.572 10.198 478 HA GLU 59 HA GLU 59 5.651 8.478 12.307 479 HB2 GLU 59 HB2 GLU 59 5.598 6.247 13.022 480 HB3 GLU 59 HB3 GLU 59 6.764 5.734 11.811 481 HG2 GLU 59 HG2 GLU 59 8.546 6.345 13.061 482 HG3 GLU 59 HG3 GLU 59 7.700 7.699 13.808 483 H LYS 60 H LYS 60 8.106 6.902 10.252 484 HA LYS 60 HA LYS 60 10.208 8.617 11.045 485 HB2 LYS 60 HB2 LYS 60 10.015 7.056 8.466 486 HB3 LYS 60 HB3 LYS 60 11.482 7.617 9.257 487 HG2 LYS 60 HG2 LYS 60 9.597 5.476 10.209 488 HG3 LYS 60 HG3 LYS 60 11.265 5.282 9.665 489 HD2 LYS 60 HD2 LYS 60 12.050 6.581 11.575 490 HD3 LYS 60 HD3 LYS 60 10.384 6.820 12.110 491 HE2 LYS 60 HE2 LYS 60 10.652 4.975 13.333 492 HE3 LYS 60 HE3 LYS 60 10.586 4.082 11.814 493 HZ1 LYS 60 HZ1 LYS 60 12.787 4.477 13.581 494 HZ2 LYS 60 HZ2 LYS 60 13.175 4.951 12.004 495 HZ3 LYS 60 HZ3 LYS 60 12.620 3.381 12.303 496 H ASP 61 H ASP 61 7.626 8.998 8.825 497 HA ASP 61 HA ASP 61 8.861 10.924 7.116 498 HB2 ASP 61 HB2 ASP 61 6.241 9.677 7.397 499 HB3 ASP 61 HB3 ASP 61 6.128 11.384 6.978 500 H GLY 62 H GLY 62 7.987 11.069 10.308 501 HA2 GLY 62 HA2 GLY 62 8.040 12.867 11.761 502 HA3 GLY 62 HA3 GLY 62 8.289 13.926 10.381 503 H ILE 63 H ILE 63 5.605 11.734 10.393 504 HA ILE 63 HA ILE 63 3.790 14.026 10.532 505 HB ILE 63 HB ILE 63 3.287 11.186 9.635 506 HG12 ILE 63 HG12 ILE 63 3.159 13.638 7.907 507 HG13 ILE 63 HG13 ILE 63 4.706 12.862 8.226 508 HG21 ILE 63 HG21 ILE 63 1.296 12.193 10.641 509 HG22 ILE 63 HG22 ILE 63 1.449 13.575 9.557 510 HG23 ILE 63 HG23 ILE 63 1.103 11.974 8.902 511 HD11 ILE 63 HD11 ILE 63 3.295 12.240 6.118 512 HD12 ILE 63 HD12 ILE 63 4.174 11.000 7.013 513 HD13 ILE 63 HD13 ILE 63 2.439 11.200 7.257 514 H THR 64 H THR 64 2.435 14.357 12.182 515 HA THR 64 HA THR 64 2.679 12.850 14.574 516 HB THR 64 HB THR 64 0.796 15.049 13.740 517 HG1 THR 64 HG1 THR 64 2.743 15.027 15.809 518 HG21 THR 64 HG21 THR 64 -0.475 13.710 15.275 519 HG22 THR 64 HG22 THR 64 0.111 15.128 16.145 520 HG23 THR 64 HG23 THR 64 0.902 13.567 16.366 521 H VAL 65 H VAL 65 1.518 11.192 15.345 522 HA VAL 65 HA VAL 65 -0.501 10.007 13.625 523 HB VAL 65 HB VAL 65 0.525 8.171 14.374 524 HG11 VAL 65 HG11 VAL 65 2.410 9.442 15.195 525 HG12 VAL 65 HG12 VAL 65 1.555 9.795 16.698 526 HG13 VAL 65 HG13 VAL 65 2.038 8.140 16.325 527 HG21 VAL 65 HG21 VAL 65 -0.632 8.707 17.095 528 HG22 VAL 65 HG22 VAL 65 -1.638 8.262 15.716 529 HG23 VAL 65 HG23 VAL 65 -0.389 7.157 16.290 530 H VAL 66 H VAL 66 -2.579 10.471 13.842 531 HA VAL 66 HA VAL 66 -3.560 11.424 16.447 532 HB VAL 66 HB VAL 66 -4.921 11.726 13.770 533 HG11 VAL 66 HG11 VAL 66 -6.305 13.351 14.886 534 HG12 VAL 66 HG12 VAL 66 -6.355 11.836 15.790 535 HG13 VAL 66 HG13 VAL 66 -5.373 13.180 16.372 536 HG21 VAL 66 HG21 VAL 66 -3.069 13.042 13.429 537 HG22 VAL 66 HG22 VAL 66 -4.153 14.196 14.206 538 HG23 VAL 66 HG23 VAL 66 -2.881 13.413 15.143 539 H ASP 67 H ASP 67 -3.916 9.404 17.394 540 HA ASP 67 HA ASP 67 -5.795 7.596 16.068 541 HB2 ASP 67 HB2 ASP 67 -5.241 6.088 18.032 542 HB3 ASP 67 HB3 ASP 67 -3.905 6.448 16.942 543 H TRP 68 H TRP 68 -7.856 8.165 16.358 544 HA TRP 68 HA TRP 68 -8.714 8.904 19.080 545 HB2 TRP 68 HB2 TRP 68 -9.674 9.871 16.393 546 HB3 TRP 68 HB3 TRP 68 -10.662 10.035 17.841 547 HD1 TRP 68 HD1 TRP 68 -7.090 10.488 18.696 548 HE1 TRP 68 HE1 TRP 68 -6.540 12.988 18.966 549 HE3 TRP 68 HE3 TRP 68 -11.341 12.477 16.669 550 HZ2 TRP 68 HZ2 TRP 68 -7.749 15.474 18.396 551 HZ3 TRP 68 HZ3 TRP 68 -11.566 14.926 16.570 552 HH2 TRP 68 HH2 TRP 68 -9.806 16.391 17.416 553 HA PRO 69 HA PRO 69 -10.939 5.043 18.725 554 HB2 PRO 69 HB2 PRO 69 -11.968 5.111 21.236 555 HB3 PRO 69 HB3 PRO 69 -10.298 4.643 20.894 556 HG2 PRO 69 HG2 PRO 69 -11.373 7.273 21.836 557 HG3 PRO 69 HG3 PRO 69 -9.932 6.394 22.380 558 HD2 PRO 69 HD2 PRO 69 -9.803 8.476 20.653 559 HD3 PRO 69 HD3 PRO 69 -8.664 7.115 20.596 560 H PHE 70 H PHE 70 -12.056 7.599 17.737 561 HA PHE 70 HA PHE 70 -14.784 7.618 18.736 562 HB2 PHE 70 HB2 PHE 70 -13.242 9.309 16.790 563 HB3 PHE 70 HB3 PHE 70 -14.999 9.398 16.853 564 HD1 PHE 70 HD2 PHE 70 -15.699 9.315 19.599 565 HD2 PHE 70 HD1 PHE 70 -12.315 11.151 17.783 566 HE1 PHE 70 HE2 PHE 70 -15.550 10.894 21.479 567 HE2 PHE 70 HE1 PHE 70 -12.160 12.733 19.662 568 HZ PHE 70 HZ PHE 70 -13.780 12.606 21.512 569 H ASP 71 H ASP 71 -13.125 5.739 16.634 570 HA ASP 71 HA ASP 71 -14.372 5.502 14.265 571 HB2 ASP 71 HB2 ASP 71 -13.342 3.510 14.165 572 HB3 ASP 71 HB3 ASP 71 -12.799 3.826 15.811 573 H ASP 72 H ASP 72 -15.701 4.431 17.361 574 HA ASP 72 HA ASP 72 -18.356 4.915 16.705 575 HB2 ASP 72 HB2 ASP 72 -17.340 2.371 15.695 576 HB3 ASP 72 HB3 ASP 72 -18.738 2.173 16.748 577 H GLY 73 H GLY 73 -17.976 5.701 18.869 578 HA2 GLY 73 HA2 GLY 73 -19.215 4.598 20.915 579 HA3 GLY 73 HA3 GLY 73 -17.725 3.667 20.957 580 H ALA 74 H ALA 74 -15.758 4.726 21.460 581 HA ALA 74 HA ALA 74 -14.423 6.214 22.552 582 HB1 ALA 74 HB1 ALA 74 -15.863 7.760 20.832 583 HB2 ALA 74 HB2 ALA 74 -16.221 8.518 22.384 584 HB3 ALA 74 HB3 ALA 74 -14.548 8.340 21.855 585 HA PRO 75 HA PRO 75 -15.806 6.397 26.711 586 HB2 PRO 75 HB2 PRO 75 -14.373 8.474 27.714 587 HB3 PRO 75 HB3 PRO 75 -13.648 6.914 27.307 588 HG2 PRO 75 HG2 PRO 75 -13.682 9.457 25.728 589 HG3 PRO 75 HG3 PRO 75 -12.345 8.323 25.992 590 HD2 PRO 75 HD2 PRO 75 -13.806 8.347 23.712 591 HD3 PRO 75 HD3 PRO 75 -13.101 6.860 24.379 592 HA PRO 76 HA PRO 76 -19.153 9.345 26.608 593 HB2 PRO 76 HB2 PRO 76 -20.323 8.530 28.918 594 HB3 PRO 76 HB3 PRO 76 -20.473 7.639 27.399 595 HG2 PRO 76 HG2 PRO 76 -18.653 7.131 29.721 596 HG3 PRO 76 HG3 PRO 76 -19.591 5.973 28.761 597 HD2 PRO 76 HD2 PRO 76 -16.942 6.378 28.372 598 HD3 PRO 76 HD3 PRO 76 -18.046 5.946 27.051 599 HA PRO 77 HA PRO 77 -17.633 11.097 30.915 600 HB2 PRO 77 HB2 PRO 77 -15.023 10.546 31.423 601 HB3 PRO 77 HB3 PRO 77 -16.349 9.527 31.995 602 HG2 PRO 77 HG2 PRO 77 -14.567 9.159 29.618 603 HG3 PRO 77 HG3 PRO 77 -15.118 7.957 30.800 604 HD2 PRO 77 HD2 PRO 77 -16.246 8.216 28.352 605 HD3 PRO 77 HD3 PRO 77 -17.170 7.711 29.780 606 H GLY 78 H GLY 78 -16.205 11.011 27.842 607 HA2 GLY 78 HA2 GLY 78 -15.359 12.710 26.536 608 HA3 GLY 78 HA3 GLY 78 -15.718 13.822 27.848 609 H LYS 79 H LYS 79 -13.547 11.009 27.625 610 HA LYS 79 HA LYS 79 -11.447 12.541 28.913 611 HB2 LYS 79 HB2 LYS 79 -11.770 10.268 29.661 612 HB3 LYS 79 HB3 LYS 79 -11.604 9.658 28.020 613 HG2 LYS 79 HG2 LYS 79 -9.583 9.224 29.231 614 HG3 LYS 79 HG3 LYS 79 -9.263 10.450 28.002 615 HD2 LYS 79 HD2 LYS 79 -9.671 12.165 29.843 616 HD3 LYS 79 HD3 LYS 79 -9.564 10.813 30.973 617 HE2 LYS 79 HE2 LYS 79 -7.335 10.311 29.712 618 HE3 LYS 79 HE3 LYS 79 -7.452 12.000 29.222 619 HZ1 LYS 79 HZ1 LYS 79 -7.107 10.877 31.922 620 HZ2 LYS 79 HZ2 LYS 79 -7.801 12.407 31.727 621 HZ3 LYS 79 HZ3 LYS 79 -6.235 12.111 31.159 622 H VAL 80 H VAL 80 -12.334 11.502 25.741 623 HA VAL 80 HA VAL 80 -9.837 11.526 24.468 624 HB VAL 80 HB VAL 80 -12.561 12.208 23.357 625 HG11 VAL 80 HG11 VAL 80 -9.905 12.293 22.152 626 HG12 VAL 80 HG12 VAL 80 -11.050 11.285 21.264 627 HG13 VAL 80 HG13 VAL 80 -11.428 12.978 21.588 628 HG21 VAL 80 HG21 VAL 80 -11.723 9.826 24.326 629 HG22 VAL 80 HG22 VAL 80 -12.906 10.005 23.031 630 HG23 VAL 80 HG23 VAL 80 -11.215 9.692 22.643 631 H VAL 81 H VAL 81 -11.873 14.103 25.569 632 HA VAL 81 HA VAL 81 -11.276 16.253 24.033 633 HB VAL 81 HB VAL 81 -11.508 17.677 25.965 634 HG11 VAL 81 HG11 VAL 81 -13.251 15.236 26.281 635 HG12 VAL 81 HG12 VAL 81 -13.616 16.865 26.854 636 HG13 VAL 81 HG13 VAL 81 -13.518 16.538 25.123 637 HG21 VAL 81 HG21 VAL 81 -10.042 16.718 27.549 638 HG22 VAL 81 HG22 VAL 81 -11.654 16.597 28.254 639 HG23 VAL 81 HG23 VAL 81 -10.901 15.178 27.526 640 H GLU 82 H GLU 82 -9.164 14.800 26.474 641 HA GLU 82 HA GLU 82 -7.123 16.656 26.537 642 HB2 GLU 82 HB2 GLU 82 -7.362 13.771 27.079 643 HB3 GLU 82 HB3 GLU 82 -5.733 14.317 26.710 644 HG2 GLU 82 HG2 GLU 82 -7.394 15.749 28.741 645 HG3 GLU 82 HG3 GLU 82 -6.521 14.276 29.161 646 H ASP 83 H ASP 83 -7.426 13.863 24.351 647 HA ASP 83 HA ASP 83 -5.102 14.477 22.847 648 HB2 ASP 83 HB2 ASP 83 -7.213 12.484 22.798 649 HB3 ASP 83 HB3 ASP 83 -6.784 13.008 21.172 650 H TRP 84 H TRP 84 -8.430 15.487 22.657 651 HA TRP 84 HA TRP 84 -8.535 16.402 20.024 652 HB2 TRP 84 HB2 TRP 84 -10.256 16.399 22.170 653 HB3 TRP 84 HB3 TRP 84 -9.931 18.117 21.951 654 HD1 TRP 84 HD1 TRP 84 -12.452 15.825 21.006 655 HE1 TRP 84 HE1 TRP 84 -13.576 16.429 18.771 656 HE3 TRP 84 HE3 TRP 84 -8.960 19.093 19.199 657 HZ2 TRP 84 HZ2 TRP 84 -13.051 18.073 16.537 658 HZ3 TRP 84 HZ3 TRP 84 -9.347 20.138 17.005 659 HH2 TRP 84 HH2 TRP 84 -11.350 19.636 15.703 660 H LEU 85 H LEU 85 -8.138 18.503 22.881 661 HA LEU 85 HA LEU 85 -7.228 20.724 21.431 662 HB2 LEU 85 HB2 LEU 85 -6.641 20.052 24.309 663 HB3 LEU 85 HB3 LEU 85 -6.560 21.648 23.566 664 HG LEU 85 HG LEU 85 -8.585 21.889 24.521 665 HD11 LEU 85 HD11 LEU 85 -10.317 21.624 22.997 666 HD12 LEU 85 HD12 LEU 85 -9.662 20.114 22.363 667 HD13 LEU 85 HD13 LEU 85 -8.880 21.646 21.974 668 HD21 LEU 85 HD21 LEU 85 -8.240 19.152 25.074 669 HD22 LEU 85 HD22 LEU 85 -9.852 19.326 24.378 670 HD23 LEU 85 HD23 LEU 85 -9.397 20.268 25.799 671 H SER 86 H SER 86 -5.434 18.225 23.205 672 HA SER 86 HA SER 86 -2.868 19.201 22.933 673 HB2 SER 86 HB2 SER 86 -3.541 17.167 24.234 674 HB3 SER 86 HB3 SER 86 -3.644 16.284 22.711 675 HG SER 86 HG SER 86 -1.552 16.420 24.114 676 H LEU 87 H LEU 87 -4.677 17.155 20.661 677 HA LEU 87 HA LEU 87 -2.629 16.931 18.739 678 HB2 LEU 87 HB2 LEU 87 -4.306 15.369 18.487 679 HB3 LEU 87 HB3 LEU 87 -5.588 16.554 18.730 680 HG LEU 87 HG LEU 87 -5.020 17.477 16.458 681 HD11 LEU 87 HD11 LEU 87 -3.790 15.996 14.937 682 HD12 LEU 87 HD12 LEU 87 -3.394 14.943 16.295 683 HD13 LEU 87 HD13 LEU 87 -2.772 16.593 16.248 684 HD21 LEU 87 HD21 LEU 87 -5.923 15.243 15.335 685 HD22 LEU 87 HD22 LEU 87 -6.943 16.273 16.338 686 HD23 LEU 87 HD23 LEU 87 -6.211 14.822 17.023 687 H VAL 88 H VAL 88 -5.639 18.819 18.413 688 HA VAL 88 HA VAL 88 -4.947 20.338 16.239 689 HB VAL 88 HB VAL 88 -7.179 20.307 17.421 690 HG11 VAL 88 HG11 VAL 88 -5.864 22.419 19.128 691 HG12 VAL 88 HG12 VAL 88 -7.574 21.981 19.150 692 HG13 VAL 88 HG13 VAL 88 -6.357 20.815 19.670 693 HG21 VAL 88 HG21 VAL 88 -6.716 21.800 15.549 694 HG22 VAL 88 HG22 VAL 88 -7.761 22.584 16.733 695 HG23 VAL 88 HG23 VAL 88 -6.048 22.998 16.657 696 H LYS 89 H LYS 89 -3.785 20.616 19.488 697 HA LYS 89 HA LYS 89 -2.656 23.258 19.059 698 HB2 LYS 89 HB2 LYS 89 -2.683 21.351 21.389 699 HB3 LYS 89 HB3 LYS 89 -1.672 22.791 21.388 700 HG2 LYS 89 HG2 LYS 89 -3.594 24.213 21.219 701 HG3 LYS 89 HG3 LYS 89 -4.658 22.821 21.011 702 HD2 LYS 89 HD2 LYS 89 -4.938 22.804 23.220 703 HD3 LYS 89 HD3 LYS 89 -3.246 22.325 23.371 704 HE2 LYS 89 HE2 LYS 89 -4.083 25.201 23.122 705 HE3 LYS 89 HE3 LYS 89 -4.004 24.379 24.680 706 HZ1 LYS 89 HZ1 LYS 89 -1.943 25.417 24.430 707 HZ2 LYS 89 HZ2 LYS 89 -1.793 24.966 22.807 708 HZ3 LYS 89 HZ3 LYS 89 -1.639 23.802 24.025 709 H ALA 90 H ALA 90 -1.707 19.944 18.853 710 HA ALA 90 HA ALA 90 1.135 20.566 18.862 711 HB1 ALA 90 HB1 ALA 90 1.488 18.189 18.683 712 HB2 ALA 90 HB2 ALA 90 0.288 18.505 19.937 713 HB3 ALA 90 HB3 ALA 90 -0.224 17.923 18.354 714 H LYS 91 H LYS 91 -1.073 18.895 16.605 715 HA LYS 91 HA LYS 91 0.523 18.728 14.402 716 HB2 LYS 91 HB2 LYS 91 -1.669 19.094 13.077 717 HB3 LYS 91 HB3 LYS 91 -1.570 17.729 14.182 718 HG2 LYS 91 HG2 LYS 91 -3.457 18.448 15.092 719 HG3 LYS 91 HG3 LYS 91 -2.547 19.817 15.735 720 HD2 LYS 91 HD2 LYS 91 -3.412 20.058 12.926 721 HD3 LYS 91 HD3 LYS 91 -4.705 20.059 14.129 722 HE2 LYS 91 HE2 LYS 91 -2.835 21.742 15.234 723 HE3 LYS 91 HE3 LYS 91 -2.710 22.098 13.512 724 HZ1 LYS 91 HZ1 LYS 91 -5.421 21.928 14.170 725 HZ2 LYS 91 HZ2 LYS 91 -4.552 23.289 13.667 726 HZ3 LYS 91 HZ3 LYS 91 -4.683 22.931 15.315 727 H PHE 92 H PHE 92 -1.035 21.582 15.679 728 HA PHE 92 HA PHE 92 -0.303 23.178 13.360 729 HB2 PHE 92 HB2 PHE 92 -2.332 23.956 14.104 730 HB3 PHE 92 HB3 PHE 92 -1.974 23.595 15.789 731 HD1 PHE 92 HD1 PHE 92 -0.923 25.885 13.046 732 HD2 PHE 92 HD2 PHE 92 -1.493 25.327 17.227 733 HE1 PHE 92 HE1 PHE 92 -0.381 28.254 13.432 734 HE2 PHE 92 HE2 PHE 92 -0.953 27.695 17.620 735 HZ PHE 92 HZ PHE 92 -0.397 29.162 15.721 736 H CYS 93 H CYS 93 0.713 22.631 16.663 737 HA CYS 93 HA CYS 93 2.568 24.840 16.673 738 HB2 CYS 93 HB2 CYS 93 1.479 24.117 18.753 739 HB3 CYS 93 HB3 CYS 93 2.244 22.539 18.610 740 HG CYS 93 HG CYS 93 4.758 24.436 18.477 741 H GLU 94 H GLU 94 2.570 21.697 15.456 742 HA GLU 94 HA GLU 94 5.480 21.426 15.643 743 HB2 GLU 94 HB2 GLU 94 5.137 19.150 14.800 744 HB3 GLU 94 HB3 GLU 94 4.161 19.455 16.230 745 HG2 GLU 94 HG2 GLU 94 2.362 18.814 15.127 746 HG3 GLU 94 HG3 GLU 94 2.589 20.144 13.992 747 H ALA 95 H ALA 95 2.912 22.051 13.379 748 HA ALA 95 HA ALA 95 4.926 22.369 11.252 749 HB1 ALA 95 HB1 ALA 95 2.166 21.192 11.057 750 HB2 ALA 95 HB2 ALA 95 3.058 21.771 9.649 751 HB3 ALA 95 HB3 ALA 95 3.707 20.451 10.621 752 HA PRO 96 HA PRO 96 3.476 26.477 10.714 753 HB2 PRO 96 HB2 PRO 96 3.792 26.814 8.039 754 HB3 PRO 96 HB3 PRO 96 5.152 26.743 9.166 755 HG2 PRO 96 HG2 PRO 96 4.042 24.596 7.401 756 HG3 PRO 96 HG3 PRO 96 5.734 25.018 7.720 757 HD2 PRO 96 HD2 PRO 96 4.500 22.933 8.929 758 HD3 PRO 96 HD3 PRO 96 5.771 23.883 9.726 759 H GLY 97 H GLY 97 1.252 26.050 11.272 760 HA2 GLY 97 HA2 GLY 97 -1.013 25.960 10.880 761 HA3 GLY 97 HA3 GLY 97 -0.628 26.968 9.492 762 H SER 98 H SER 98 0.685 23.766 9.707 763 HA SER 98 HA SER 98 -0.280 22.972 7.211 764 HB2 SER 98 HB2 SER 98 0.905 21.507 9.543 765 HB3 SER 98 HB3 SER 98 0.251 20.594 8.184 766 HG SER 98 HG SER 98 1.643 22.113 6.890 767 H CYS 99 H CYS 99 -1.406 20.535 7.325 768 HA CYS 99 HA CYS 99 -4.034 21.083 8.527 769 HB2 CYS 99 HB2 CYS 99 -3.301 19.355 6.155 770 HB3 CYS 99 HB3 CYS 99 -4.926 19.520 6.810 771 HG CYS 99 HG CYS 99 -5.409 21.270 4.971 772 H VAL 100 H VAL 100 -5.281 19.172 9.230 773 HA VAL 100 HA VAL 100 -3.509 17.107 10.369 774 HB VAL 100 HB VAL 100 -5.930 17.232 11.850 775 HG11 VAL 100 HG11 VAL 100 -3.095 18.011 12.523 776 HG12 VAL 100 HG12 VAL 100 -4.386 17.777 13.704 777 HG13 VAL 100 HG13 VAL 100 -3.830 16.421 12.722 778 HG21 VAL 100 HG21 VAL 100 -6.237 19.496 11.052 779 HG22 VAL 100 HG22 VAL 100 -5.779 19.523 12.755 780 HG23 VAL 100 HG23 VAL 100 -4.587 19.913 11.515 781 H ALA 101 H ALA 101 -3.798 15.267 9.297 782 HA ALA 101 HA ALA 101 -6.271 14.647 7.959 783 HB1 ALA 101 HB1 ALA 101 -3.713 14.003 7.434 784 HB2 ALA 101 HB2 ALA 101 -4.238 12.532 8.254 785 HB3 ALA 101 HB3 ALA 101 -5.095 13.096 6.819 786 H VAL 102 H VAL 102 -7.959 13.682 8.861 787 HA VAL 102 HA VAL 102 -7.507 11.794 11.070 788 HB VAL 102 HB VAL 102 -9.515 12.618 12.211 789 HG11 VAL 102 HG11 VAL 102 -8.543 14.535 13.198 790 HG12 VAL 102 HG12 VAL 102 -7.198 13.517 12.678 791 HG13 VAL 102 HG13 VAL 102 -7.654 14.932 11.727 792 HG21 VAL 102 HG21 VAL 102 -10.020 13.885 9.763 793 HG22 VAL 102 HG22 VAL 102 -10.988 13.968 11.235 794 HG23 VAL 102 HG23 VAL 102 -9.743 15.179 10.929 795 H HIS 103 H HIS 103 -8.908 10.051 11.176 796 HA HIS 103 HA HIS 103 -10.179 9.338 8.700 797 HB2 HIS 103 HB2 HIS 103 -9.176 7.964 10.989 798 HB3 HIS 103 HB3 HIS 103 -10.859 7.496 10.764 799 HD1 HIS 103 HD1 HIS 103 -8.039 5.888 10.158 800 HD2 HIS 103 HD2 HIS 103 -10.833 7.370 7.464 801 HE1 HIS 103 HE1 HIS 103 -7.729 4.540 8.058 802 H CYS 104 H CYS 104 -12.336 9.122 8.264 803 HA CYS 104 HA CYS 104 -14.298 9.599 10.350 804 HB2 CYS 104 HB2 CYS 104 -13.479 11.652 8.470 805 HB3 CYS 104 HB3 CYS 104 -15.191 11.282 8.305 806 HG CYS 104 HG CYS 104 -14.310 11.619 11.489 807 H VAL 105 H VAL 105 -16.118 8.471 10.006 808 HA VAL 105 HA VAL 105 -16.274 6.796 7.661 809 HB VAL 105 HB VAL 105 -18.573 6.238 8.923 810 HG11 VAL 105 HG11 VAL 105 -17.269 4.405 8.727 811 HG12 VAL 105 HG12 VAL 105 -15.799 5.269 9.182 812 HG13 VAL 105 HG13 VAL 105 -16.928 4.732 10.426 813 HG21 VAL 105 HG21 VAL 105 -17.926 8.140 10.563 814 HG22 VAL 105 HG22 VAL 105 -18.564 6.627 11.208 815 HG23 VAL 105 HG23 VAL 105 -16.830 6.942 11.251 816 H ALA 106 H ALA 106 -19.145 8.169 9.116 817 HA ALA 106 HA ALA 106 -19.872 9.283 6.490 818 HB1 ALA 106 HB1 ALA 106 -22.051 8.996 8.397 819 HB2 ALA 106 HB2 ALA 106 -21.920 8.430 6.732 820 HB3 ALA 106 HB3 ALA 106 -21.238 7.471 8.045 821 H GLY 107 H GLY 107 -19.530 9.984 9.892 822 HA2 GLY 107 HA2 GLY 107 -18.915 12.381 10.285 823 HA3 GLY 107 HA3 GLY 107 -20.352 12.772 9.352 824 H LEU 108 H LEU 108 -22.326 12.776 10.330 825 HA LEU 108 HA LEU 108 -23.556 13.341 12.235 826 HB2 LEU 108 HB2 LEU 108 -23.066 10.376 12.467 827 HB3 LEU 108 HB3 LEU 108 -24.364 11.257 13.270 828 HG LEU 108 HG LEU 108 -24.059 11.014 10.278 829 HD11 LEU 108 HD11 LEU 108 -24.510 8.841 11.314 830 HD12 LEU 108 HD12 LEU 108 -25.890 9.421 10.384 831 HD13 LEU 108 HD13 LEU 108 -25.905 9.530 12.144 832 HD21 LEU 108 HD21 LEU 108 -26.693 11.582 11.010 833 HD22 LEU 108 HD22 LEU 108 -25.541 12.667 10.231 834 HD23 LEU 108 HD23 LEU 108 -25.693 12.656 11.988 835 H GLY 109 H GLY 109 -23.620 11.809 14.682 836 HA2 GLY 109 HA2 GLY 109 -22.678 12.896 16.698 837 HA3 GLY 109 HA3 GLY 109 -21.981 11.300 16.459 838 H ARG 110 H ARG 110 -19.848 11.096 15.841 839 HA ARG 110 HA ARG 110 -17.906 12.625 16.763 840 HB2 ARG 110 HB2 ARG 110 -17.768 11.484 13.967 841 HB3 ARG 110 HB3 ARG 110 -16.407 11.838 15.021 842 HG2 ARG 110 HG2 ARG 110 -16.525 9.662 15.523 843 HG3 ARG 110 HG3 ARG 110 -17.845 10.157 16.585 844 HD2 ARG 110 HD2 ARG 110 -19.087 9.873 14.150 845 HD3 ARG 110 HD3 ARG 110 -17.897 8.573 14.135 846 HE ARG 110 HE ARG 110 -19.071 8.351 16.575 847 HH11 ARG 110 HH11 ARG 110 -20.266 8.466 13.307 848 HH12 ARG 110 HH12 ARG 110 -21.648 7.476 13.639 849 HH21 ARG 110 HH21 ARG 110 -20.888 7.046 17.025 850 HH22 ARG 110 HH22 ARG 110 -22.001 6.670 15.754 851 H ALA 111 H ALA 111 -19.254 13.184 13.510 852 HA ALA 111 HA ALA 111 -17.870 15.309 12.621 853 HB1 ALA 111 HB1 ALA 111 -19.498 14.833 11.132 854 HB2 ALA 111 HB2 ALA 111 -20.701 14.516 12.383 855 HB3 ALA 111 HB3 ALA 111 -20.316 16.176 11.930 856 HA PRO 112 HA PRO 112 -20.261 18.706 14.962 857 HB2 PRO 112 HB2 PRO 112 -22.485 18.031 16.364 858 HB3 PRO 112 HB3 PRO 112 -22.519 18.422 14.641 859 HG2 PRO 112 HG2 PRO 112 -22.504 15.742 15.975 860 HG3 PRO 112 HG3 PRO 112 -23.465 16.298 14.593 861 HD2 PRO 112 HD2 PRO 112 -21.241 14.781 14.304 862 HD3 PRO 112 HD3 PRO 112 -21.733 15.994 13.104 863 H VAL 113 H VAL 113 -20.570 15.646 16.753 864 HA VAL 113 HA VAL 113 -20.259 16.587 19.334 865 HB VAL 113 HB VAL 113 -19.373 13.989 18.091 866 HG11 VAL 113 HG11 VAL 113 -19.162 13.155 20.437 867 HG12 VAL 113 HG12 VAL 113 -17.915 14.309 19.959 868 HG13 VAL 113 HG13 VAL 113 -19.255 14.830 20.982 869 HG21 VAL 113 HG21 VAL 113 -21.730 14.172 18.142 870 HG22 VAL 113 HG22 VAL 113 -21.293 13.150 19.511 871 HG23 VAL 113 HG23 VAL 113 -21.718 14.841 19.773 872 H LEU 114 H LEU 114 -17.670 15.354 17.208 873 HA LEU 114 HA LEU 114 -15.546 16.014 18.917 874 HB2 LEU 114 HB2 LEU 114 -15.638 15.694 15.923 875 HB3 LEU 114 HB3 LEU 114 -14.148 15.872 16.848 876 HG LEU 114 HG LEU 114 -15.862 13.521 16.452 877 HD11 LEU 114 HD11 LEU 114 -13.863 12.424 16.310 878 HD12 LEU 114 HD12 LEU 114 -13.073 13.474 17.487 879 HD13 LEU 114 HD13 LEU 114 -13.357 14.048 15.844 880 HD21 LEU 114 HD21 LEU 114 -15.262 12.565 18.662 881 HD22 LEU 114 HD22 LEU 114 -16.418 13.894 18.760 882 HD23 LEU 114 HD23 LEU 114 -14.723 14.166 19.168 883 H VAL 115 H VAL 115 -16.504 17.686 15.911 884 HA VAL 115 HA VAL 115 -14.895 19.902 16.121 885 HB VAL 115 HB VAL 115 -16.455 21.090 14.707 886 HG11 VAL 115 HG11 VAL 115 -15.526 19.761 13.170 887 HG12 VAL 115 HG12 VAL 115 -15.660 18.335 14.201 888 HG13 VAL 115 HG13 VAL 115 -17.034 18.849 13.222 889 HG21 VAL 115 HG21 VAL 115 -18.665 19.982 14.159 890 HG22 VAL 115 HG22 VAL 115 -18.410 18.979 15.587 891 HG23 VAL 115 HG23 VAL 115 -18.545 20.729 15.752 892 H ALA 116 H ALA 116 -17.926 19.250 17.769 893 HA ALA 116 HA ALA 116 -18.404 21.838 18.771 894 HB1 ALA 116 HB1 ALA 116 -19.684 20.510 20.581 895 HB2 ALA 116 HB2 ALA 116 -20.229 20.414 18.906 896 HB3 ALA 116 HB3 ALA 116 -19.280 19.100 19.601 897 H LEU 117 H LEU 117 -16.713 19.052 20.188 898 HA LEU 117 HA LEU 117 -16.122 20.133 22.675 899 HB2 LEU 117 HB2 LEU 117 -15.744 17.769 21.833 900 HB3 LEU 117 HB3 LEU 117 -14.245 18.368 21.125 901 HG LEU 117 HG LEU 117 -13.996 17.184 23.319 902 HD11 LEU 117 HD11 LEU 117 -13.116 20.032 23.589 903 HD12 LEU 117 HD12 LEU 117 -12.456 18.997 22.323 904 HD13 LEU 117 HD13 LEU 117 -12.259 18.552 24.018 905 HD21 LEU 117 HD21 LEU 117 -14.992 17.875 25.212 906 HD22 LEU 117 HD22 LEU 117 -16.148 18.625 24.110 907 HD23 LEU 117 HD23 LEU 117 -14.834 19.582 24.797 908 H ALA 118 H ALA 118 -14.185 20.254 19.693 909 HA ALA 118 HA ALA 118 -12.124 21.858 20.818 910 HB1 ALA 118 HB1 ALA 118 -12.608 20.530 18.361 911 HB2 ALA 118 HB2 ALA 118 -12.224 22.214 18.002 912 HB3 ALA 118 HB3 ALA 118 -11.103 21.238 18.951 913 H LEU 119 H LEU 119 -15.080 22.557 19.037 914 HA LEU 119 HA LEU 119 -14.633 25.246 18.449 915 HB2 LEU 119 HB2 LEU 119 -16.474 24.215 17.427 916 HB3 LEU 119 HB3 LEU 119 -17.123 23.656 18.967 917 HG LEU 119 HG LEU 119 -17.849 25.875 19.532 918 HD11 LEU 119 HD11 LEU 119 -17.581 27.571 17.501 919 HD12 LEU 119 HD12 LEU 119 -16.110 26.630 17.258 920 HD13 LEU 119 HD13 LEU 119 -16.390 27.447 18.795 921 HD21 LEU 119 HD21 LEU 119 -19.540 26.207 17.870 922 HD22 LEU 119 HD22 LEU 119 -19.266 24.473 18.037 923 HD23 LEU 119 HD23 LEU 119 -18.591 25.345 16.659 924 H ILE 120 H ILE 120 -15.978 23.734 21.354 925 HA ILE 120 HA ILE 120 -16.594 26.165 22.682 926 HB ILE 120 HB ILE 120 -16.459 23.307 23.449 927 HG12 ILE 120 HG12 ILE 120 -18.675 23.831 24.381 928 HG13 ILE 120 HG13 ILE 120 -18.423 25.537 24.025 929 HG21 ILE 120 HG21 ILE 120 -15.157 24.115 25.243 930 HG22 ILE 120 HG22 ILE 120 -16.158 25.556 25.419 931 HG23 ILE 120 HG23 ILE 120 -16.801 23.976 25.867 932 HD11 ILE 120 HD11 ILE 120 -18.505 25.149 21.693 933 HD12 ILE 120 HD12 ILE 120 -18.431 23.400 21.916 934 HD13 ILE 120 HD13 ILE 120 -19.870 24.291 22.408 935 H GLU 121 H GLU 121 -13.866 23.897 22.980 936 HA GLU 121 HA GLU 121 -12.465 25.317 24.950 937 HB2 GLU 121 HB2 GLU 121 -11.544 23.389 22.822 938 HB3 GLU 121 HB3 GLU 121 -10.451 24.066 24.022 939 HG2 GLU 121 HG2 GLU 121 -12.891 22.872 25.121 940 HG3 GLU 121 HG3 GLU 121 -11.812 21.744 24.303 941 H SER 122 H SER 122 -12.946 25.980 21.637 942 HA SER 122 HA SER 122 -10.560 27.491 21.186 943 HB2 SER 122 HB2 SER 122 -11.305 27.684 19.049 944 HB3 SER 122 HB3 SER 122 -12.449 26.435 19.540 945 HG SER 122 HG SER 122 -12.853 29.218 19.310 946 H GLY 123 H GLY 123 -13.603 28.125 22.669 947 HA2 GLY 123 HA2 GLY 123 -13.473 30.145 24.157 948 HA3 GLY 123 HA3 GLY 123 -12.979 31.014 22.711 949 H MET 124 H MET 124 -15.391 28.540 22.464 950 HA MET 124 HA MET 124 -17.412 30.630 22.006 951 HB2 MET 124 HB2 MET 124 -16.590 28.630 20.312 952 HB3 MET 124 HB3 MET 124 -18.031 27.932 21.038 953 HG2 MET 124 HG2 MET 124 -18.949 28.986 19.244 954 HG3 MET 124 HG3 MET 124 -19.073 30.263 20.452 955 HE1 MET 124 HE1 MET 124 -16.888 32.775 19.954 956 HE2 MET 124 HE2 MET 124 -18.187 33.016 18.787 957 HE3 MET 124 HE3 MET 124 -18.522 32.226 20.328 958 H LYS 125 H LYS 125 -19.573 30.255 22.717 959 HA LYS 125 HA LYS 125 -19.710 29.073 25.312 960 HB2 LYS 125 HB2 LYS 125 -22.293 29.662 24.113 961 HB3 LYS 125 HB3 LYS 125 -21.537 30.353 25.543 962 HG2 LYS 125 HG2 LYS 125 -20.124 31.711 23.872 963 HG3 LYS 125 HG3 LYS 125 -21.361 31.257 22.698 964 HD2 LYS 125 HD2 LYS 125 -22.284 33.199 23.447 965 HD3 LYS 125 HD3 LYS 125 -22.964 32.098 24.647 966 HE2 LYS 125 HE2 LYS 125 -20.381 32.929 25.521 967 HE3 LYS 125 HE3 LYS 125 -21.307 34.357 25.064 968 HZ1 LYS 125 HZ1 LYS 125 -23.098 32.910 26.473 969 HZ2 LYS 125 HZ2 LYS 125 -22.173 34.180 27.098 970 HZ3 LYS 125 HZ3 LYS 125 -21.660 32.581 27.301 971 H TYR 126 H TYR 126 -20.455 27.129 25.928 972 HA TYR 126 HA TYR 126 -20.615 24.979 24.213 973 HB2 TYR 126 HB2 TYR 126 -20.479 24.111 26.287 974 HB3 TYR 126 HB3 TYR 126 -21.289 25.494 27.015 975 HD1 TYR 126 HD2 TYR 126 -22.033 22.461 24.969 976 HD2 TYR 126 HD1 TYR 126 -23.408 25.210 27.911 977 HE1 TYR 126 HE2 TYR 126 -24.056 21.099 25.289 978 HE2 TYR 126 HE1 TYR 126 -25.434 23.856 28.239 979 HH TYR 126 HH TYR 126 -25.771 20.704 26.916 980 H GLU 127 H GLU 127 -23.334 26.792 25.630 981 HA GLU 127 HA GLU 127 -25.385 25.381 24.351 982 HB2 GLU 127 HB2 GLU 127 -25.354 28.276 25.225 983 HB3 GLU 127 HB3 GLU 127 -26.794 27.342 24.840 984 HG2 GLU 127 HG2 GLU 127 -25.806 25.738 26.694 985 HG3 GLU 127 HG3 GLU 127 -25.040 27.234 27.227 986 H ASP 128 H ASP 128 -23.933 28.510 23.449 987 HA ASP 128 HA ASP 128 -25.303 28.975 21.107 988 HB2 ASP 128 HB2 ASP 128 -23.373 30.304 22.382 989 HB3 ASP 128 HB3 ASP 128 -22.388 29.581 21.113 990 H ALA 129 H ALA 129 -22.157 27.319 21.393 991 HA ALA 129 HA ALA 129 -21.857 26.603 18.728 992 HB1 ALA 129 HB1 ALA 129 -20.791 25.581 21.299 993 HB2 ALA 129 HB2 ALA 129 -20.597 24.563 19.871 994 HB3 ALA 129 HB3 ALA 129 -19.941 26.200 19.883 995 H ILE 130 H ILE 130 -23.338 24.725 21.366 996 HA ILE 130 HA ILE 130 -23.993 22.441 19.936 997 HB ILE 130 HB ILE 130 -25.419 23.749 22.249 998 HG12 ILE 130 HG12 ILE 130 -23.685 22.889 23.383 999 HG13 ILE 130 HG13 ILE 130 -24.320 21.293 22.995 1000 HG21 ILE 130 HG21 ILE 130 -25.943 21.086 20.943 1001 HG22 ILE 130 HG22 ILE 130 -26.522 21.525 22.549 1002 HG23 ILE 130 HG23 ILE 130 -27.068 22.430 21.138 1003 HD11 ILE 130 HD11 ILE 130 -22.001 21.382 22.416 1004 HD12 ILE 130 HD12 ILE 130 -22.953 21.312 20.932 1005 HD13 ILE 130 HD13 ILE 130 -22.251 22.842 21.458 1006 H GLN 131 H GLN 131 -26.123 25.227 20.603 1007 HA GLN 131 HA GLN 131 -28.321 24.462 19.142 1008 HB2 GLN 131 HB2 GLN 131 -27.145 27.158 19.740 1009 HB3 GLN 131 HB3 GLN 131 -28.587 27.017 18.743 1010 HG2 GLN 131 HG2 GLN 131 -28.537 27.221 21.469 1011 HG3 GLN 131 HG3 GLN 131 -29.893 26.646 20.501 1012 HE21 GLN 131 HE21 GLN 131 -27.394 25.804 22.704 1013 HE22 GLN 131 HE22 GLN 131 -27.838 24.148 22.919 1014 H PHE 132 H PHE 132 -25.300 25.817 17.990 1015 HA PHE 132 HA PHE 132 -26.135 26.406 15.356 1016 HB2 PHE 132 HB2 PHE 132 -24.025 27.219 16.505 1017 HB3 PHE 132 HB3 PHE 132 -23.339 25.629 16.190 1018 HD1 PHE 132 HD1 PHE 132 -25.506 27.721 14.017 1019 HD2 PHE 132 HD2 PHE 132 -21.656 26.016 14.642 1020 HE1 PHE 132 HE1 PHE 132 -24.815 28.468 11.776 1021 HE2 PHE 132 HE2 PHE 132 -20.959 26.761 12.404 1022 HZ PHE 132 HZ PHE 132 -22.538 27.990 10.968 1023 H ILE 133 H ILE 133 -23.955 23.769 16.363 1024 HA ILE 133 HA ILE 133 -24.273 22.292 13.989 1025 HB ILE 133 HB ILE 133 -23.301 20.387 15.295 1026 HG12 ILE 133 HG12 ILE 133 -22.850 22.287 17.561 1027 HG13 ILE 133 HG13 ILE 133 -24.377 21.416 17.475 1028 HG21 ILE 133 HG21 ILE 133 -21.157 21.264 15.252 1029 HG22 ILE 133 HG22 ILE 133 -22.034 22.340 14.165 1030 HG23 ILE 133 HG23 ILE 133 -21.685 22.849 15.817 1031 HD11 ILE 133 HD11 ILE 133 -22.426 20.431 18.843 1032 HD12 ILE 133 HD12 ILE 133 -23.368 19.365 17.800 1033 HD13 ILE 133 HD13 ILE 133 -21.788 19.944 17.273 1034 H ARG 134 H ARG 134 -26.306 22.646 16.700 1035 HA ARG 134 HA ARG 134 -27.655 20.103 16.364 1036 HB2 ARG 134 HB2 ARG 134 -27.378 21.157 18.602 1037 HB3 ARG 134 HB3 ARG 134 -28.426 22.469 18.080 1038 HG2 ARG 134 HG2 ARG 134 -30.191 21.309 18.728 1039 HG3 ARG 134 HG3 ARG 134 -29.784 20.041 17.570 1040 HD2 ARG 134 HD2 ARG 134 -28.555 18.831 19.159 1041 HD3 ARG 134 HD3 ARG 134 -28.451 20.210 20.253 1042 HE ARG 134 HE ARG 134 -30.619 18.330 20.028 1043 HH11 ARG 134 HH11 ARG 134 -29.678 21.526 21.038 1044 HH12 ARG 134 HH12 ARG 134 -30.981 21.694 22.168 1045 HH21 ARG 134 HH21 ARG 134 -32.338 18.539 21.513 1046 HH22 ARG 134 HH22 ARG 134 -32.493 19.994 22.438 1047 H GLN 135 H GLN 135 -28.173 23.490 15.576 1048 HA GLN 135 HA GLN 135 -30.856 23.137 14.658 1049 HB2 GLN 135 HB2 GLN 135 -30.734 25.409 13.919 1050 HB3 GLN 135 HB3 GLN 135 -29.900 25.308 15.463 1051 HG2 GLN 135 HG2 GLN 135 -27.848 25.692 14.544 1052 HG3 GLN 135 HG3 GLN 135 -28.301 25.020 12.978 1053 HE21 GLN 135 HE21 GLN 135 -27.520 26.782 11.848 1054 HE22 GLN 135 HE22 GLN 135 -28.309 28.318 11.861 1055 H LYS 136 H LYS 136 -27.731 22.684 13.285 1056 HA LYS 136 HA LYS 136 -28.724 22.717 10.549 1057 HB2 LYS 136 HB2 LYS 136 -26.465 22.505 9.863 1058 HB3 LYS 136 HB3 LYS 136 -26.453 23.619 11.224 1059 HG2 LYS 136 HG2 LYS 136 -24.861 22.355 12.105 1060 HG3 LYS 136 HG3 LYS 136 -26.099 21.128 12.384 1061 HD2 LYS 136 HD2 LYS 136 -25.333 20.906 9.681 1062 HD3 LYS 136 HD3 LYS 136 -23.844 21.054 10.619 1063 HE2 LYS 136 HE2 LYS 136 -25.347 19.304 12.115 1064 HE3 LYS 136 HE3 LYS 136 -25.754 18.854 10.460 1065 HZ1 LYS 136 HZ1 LYS 136 -23.059 18.944 11.692 1066 HZ2 LYS 136 HZ2 LYS 136 -23.311 18.768 10.029 1067 HZ3 LYS 136 HZ3 LYS 136 -23.878 17.587 11.099 1068 H ARG 137 H ARG 137 -29.513 20.694 12.666 1069 HA ARG 137 HA ARG 137 -29.816 18.472 11.018 1070 HB2 ARG 137 HB2 ARG 137 -27.225 18.615 12.242 1071 HB3 ARG 137 HB3 ARG 137 -28.103 17.242 12.903 1072 HG2 ARG 137 HG2 ARG 137 -27.634 17.781 9.978 1073 HG3 ARG 137 HG3 ARG 137 -26.760 16.611 10.969 1074 HD2 ARG 137 HD2 ARG 137 -29.723 16.575 10.406 1075 HD3 ARG 137 HD3 ARG 137 -28.519 15.549 9.627 1076 HE ARG 137 HE ARG 137 -28.318 15.213 12.399 1077 HH11 ARG 137 HH11 ARG 137 -30.524 14.542 9.791 1078 HH12 ARG 137 HH12 ARG 137 -31.208 13.146 10.555 1079 HH21 ARG 137 HH21 ARG 137 -29.210 13.376 13.415 1080 HH22 ARG 137 HH22 ARG 137 -30.461 12.484 12.617 1081 H ARG 138 H ARG 138 -29.863 16.373 12.801 1082 HA ARG 138 HA ARG 138 -31.742 17.334 14.859 1083 HB2 ARG 138 HB2 ARG 138 -31.870 15.020 12.977 1084 HB3 ARG 138 HB3 ARG 138 -32.595 14.842 14.570 1085 HG2 ARG 138 HG2 ARG 138 -33.884 16.955 14.088 1086 HG3 ARG 138 HG3 ARG 138 -33.311 16.818 12.425 1087 HD2 ARG 138 HD2 ARG 138 -34.727 15.142 11.952 1088 HD3 ARG 138 HD3 ARG 138 -34.450 14.348 13.501 1089 HE ARG 138 HE ARG 138 -36.025 16.708 13.780 1090 HH11 ARG 138 HH11 ARG 138 -36.147 13.353 12.859 1091 HH12 ARG 138 HH12 ARG 138 -37.825 13.172 13.250 1092 HH21 ARG 138 HH21 ARG 138 -38.235 16.482 14.298 1093 HH22 ARG 138 HH22 ARG 138 -39.012 14.953 14.067 1094 H GLY 139 H GLY 139 -30.827 17.194 16.800 1095 HA2 GLY 139 HA2 GLY 139 -29.560 16.427 18.559 1096 HA3 GLY 139 HA3 GLY 139 -30.136 14.843 18.063 1097 H ALA 140 H ALA 140 -27.799 17.239 16.824 1098 HA ALA 140 HA ALA 140 -26.069 15.245 15.767 1099 HB1 ALA 140 HB1 ALA 140 -25.323 17.017 14.663 1100 HB2 ALA 140 HB2 ALA 140 -26.263 18.087 15.703 1101 HB3 ALA 140 HB3 ALA 140 -24.618 17.639 16.155 1102 H ILE 141 H ILE 141 -25.472 17.588 18.396 1103 HA ILE 141 HA ILE 141 -23.455 15.781 19.494 1104 HB ILE 141 HB ILE 141 -22.804 18.115 19.239 1105 HG12 ILE 141 HG12 ILE 141 -23.155 17.643 22.191 1106 HG13 ILE 141 HG13 ILE 141 -22.075 16.643 21.226 1107 HG21 ILE 141 HG21 ILE 141 -24.052 19.587 21.143 1108 HG22 ILE 141 HG22 ILE 141 -24.495 19.581 19.437 1109 HG23 ILE 141 HG23 ILE 141 -25.376 18.567 20.580 1110 HD11 ILE 141 HD11 ILE 141 -21.762 19.575 21.005 1111 HD12 ILE 141 HD12 ILE 141 -21.254 18.809 22.510 1112 HD13 ILE 141 HD13 ILE 141 -20.549 18.295 20.977 1113 H ASN 142 H ASN 142 -26.688 16.757 20.021 1114 HA ASN 142 HA ASN 142 -27.208 16.737 22.647 1115 HB2 ASN 142 HB2 ASN 142 -28.990 16.788 20.996 1116 HB3 ASN 142 HB3 ASN 142 -28.679 15.109 20.563 1117 HD21 ASN 142 HD21 ASN 142 -29.083 16.870 23.619 1118 HD22 ASN 142 HD22 ASN 142 -30.301 15.823 24.256 1119 H SER 143 H SER 143 -27.750 15.130 24.240 1120 HA SER 143 HA SER 143 -27.737 12.902 25.064 1121 HB2 SER 143 HB2 SER 143 -25.478 12.402 23.113 1122 HB3 SER 143 HB3 SER 143 -26.314 11.202 24.099 1123 HG SER 143 HG SER 143 -28.257 12.147 22.870 1124 H LYS 144 H LYS 144 -25.302 11.558 25.619 1125 HA LYS 144 HA LYS 144 -24.411 12.711 27.900 1126 HB2 LYS 144 HB2 LYS 144 -22.801 11.088 25.924 1127 HB3 LYS 144 HB3 LYS 144 -22.263 11.458 27.557 1128 HG2 LYS 144 HG2 LYS 144 -23.216 9.521 28.108 1129 HG3 LYS 144 HG3 LYS 144 -24.741 10.404 28.004 1130 HD2 LYS 144 HD2 LYS 144 -24.419 9.755 25.418 1131 HD3 LYS 144 HD3 LYS 144 -23.571 8.401 26.169 1132 HE2 LYS 144 HE2 LYS 144 -25.705 7.569 26.096 1133 HE3 LYS 144 HE3 LYS 144 -25.710 8.323 27.690 1134 HZ1 LYS 144 HZ1 LYS 144 -26.783 9.517 25.191 1135 HZ2 LYS 144 HZ2 LYS 144 -26.750 10.282 26.699 1136 HZ3 LYS 144 HZ3 LYS 144 -27.698 8.899 26.473 1137 H GLN 145 H GLN 145 -23.268 13.409 24.639 1138 HA GLN 145 HA GLN 145 -21.040 14.949 25.205 1139 HB2 GLN 145 HB2 GLN 145 -22.933 15.756 23.023 1140 HB3 GLN 145 HB3 GLN 145 -21.174 15.757 23.020 1141 HG2 GLN 145 HG2 GLN 145 -23.044 13.439 22.712 1142 HG3 GLN 145 HG3 GLN 145 -21.786 14.000 21.612 1143 HE21 GLN 145 HE21 GLN 145 -19.646 14.272 23.256 1144 HE22 GLN 145 HE22 GLN 145 -19.194 12.737 23.906 1145 H LEU 146 H LEU 146 -24.354 16.156 24.657 1146 HA LEU 146 HA LEU 146 -23.890 18.819 25.271 1147 HB2 LEU 146 HB2 LEU 146 -26.126 17.163 24.778 1148 HB3 LEU 146 HB3 LEU 146 -26.464 18.065 26.253 1149 HG LEU 146 HG LEU 146 -25.702 20.113 24.778 1150 HD11 LEU 146 HD11 LEU 146 -27.031 19.072 22.498 1151 HD12 LEU 146 HD12 LEU 146 -25.694 17.992 22.895 1152 HD13 LEU 146 HD13 LEU 146 -25.391 19.708 22.623 1153 HD21 LEU 146 HD21 LEU 146 -28.073 19.178 25.711 1154 HD22 LEU 146 HD22 LEU 146 -28.384 19.227 23.975 1155 HD23 LEU 146 HD23 LEU 146 -27.872 20.688 24.821 1156 H THR 147 H THR 147 -25.086 16.265 27.450 1157 HA THR 147 HA THR 147 -25.189 17.802 29.777 1158 HB THR 147 HB THR 147 -25.184 15.720 31.021 1159 HG1 THR 147 HG1 THR 147 -23.899 14.796 28.728 1160 HG21 THR 147 HG21 THR 147 -26.964 16.355 28.971 1161 HG22 THR 147 HG22 THR 147 -27.251 15.254 30.318 1162 HG23 THR 147 HG23 THR 147 -26.653 14.630 28.781 1163 H TYR 148 H TYR 148 -22.514 16.082 28.278 1164 HA TYR 148 HA TYR 148 -20.684 16.122 30.374 1165 HB2 TYR 148 HB2 TYR 148 -20.274 14.874 28.323 1166 HB3 TYR 148 HB3 TYR 148 -20.178 16.370 27.401 1167 HD1 TYR 148 HD2 TYR 148 -18.642 15.303 30.638 1168 HD2 TYR 148 HD1 TYR 148 -18.013 16.659 26.655 1169 HE1 TYR 148 HE2 TYR 148 -16.221 15.402 31.060 1170 HE2 TYR 148 HE1 TYR 148 -15.590 16.760 27.065 1171 HH TYR 148 HH TYR 148 -14.155 17.041 29.547 1172 H LEU 149 H LEU 149 -20.862 18.444 27.668 1173 HA LEU 149 HA LEU 149 -19.056 20.285 28.800 1174 HB2 LEU 149 HB2 LEU 149 -20.332 20.001 26.388 1175 HB3 LEU 149 HB3 LEU 149 -21.092 21.445 27.055 1176 HG LEU 149 HG LEU 149 -19.279 22.117 25.648 1177 HD11 LEU 149 HD11 LEU 149 -19.639 23.056 28.102 1178 HD12 LEU 149 HD12 LEU 149 -18.347 23.640 27.055 1179 HD13 LEU 149 HD13 LEU 149 -17.998 22.444 28.303 1180 HD21 LEU 149 HD21 LEU 149 -17.614 20.671 25.336 1181 HD22 LEU 149 HD22 LEU 149 -17.966 19.823 26.842 1182 HD23 LEU 149 HD23 LEU 149 -16.943 21.260 26.857 1183 H GLU 150 H GLU 150 -22.428 19.720 29.311 1184 HA GLU 150 HA GLU 150 -23.226 22.229 30.271 1185 HB2 GLU 150 HB2 GLU 150 -24.573 20.014 29.776 1186 HB3 GLU 150 HB3 GLU 150 -24.316 19.729 31.492 1187 HG2 GLU 150 HG2 GLU 150 -25.418 22.344 30.578 1188 HG3 GLU 150 HG3 GLU 150 -26.467 20.931 30.672 1189 H LYS 151 H LYS 151 -21.994 19.393 32.032 1190 HA LYS 151 HA LYS 151 -21.804 20.942 34.485 1191 HB2 LYS 151 HB2 LYS 151 -21.610 18.070 33.752 1192 HB3 LYS 151 HB3 LYS 151 -20.695 18.595 35.160 1193 HG2 LYS 151 HG2 LYS 151 -22.713 19.426 36.203 1194 HG3 LYS 151 HG3 LYS 151 -23.653 19.010 34.768 1195 HD2 LYS 151 HD2 LYS 151 -22.114 16.762 35.784 1196 HD3 LYS 151 HD3 LYS 151 -23.242 17.403 36.980 1197 HE2 LYS 151 HE2 LYS 151 -25.051 17.239 35.303 1198 HE3 LYS 151 HE3 LYS 151 -23.908 16.513 34.175 1199 HZ1 LYS 151 HZ1 LYS 151 -23.643 14.998 36.410 1200 HZ2 LYS 151 HZ2 LYS 151 -24.557 14.586 35.048 1201 HZ3 LYS 151 HZ3 LYS 151 -25.303 15.320 36.377 1202 H TYR 152 H TYR 152 -19.791 19.887 31.888 1203 HA TYR 152 HA TYR 152 -17.295 20.083 33.256 1204 HB2 TYR 152 HB2 TYR 152 -17.467 18.730 31.254 1205 HB3 TYR 152 HB3 TYR 152 -17.964 20.127 30.307 1206 HD1 TYR 152 HD1 TYR 152 -15.147 19.322 32.640 1207 HD2 TYR 152 HD2 TYR 152 -16.343 20.901 28.874 1208 HE1 TYR 152 HE1 TYR 152 -12.794 19.779 32.091 1209 HE2 TYR 152 HE2 TYR 152 -13.992 21.361 28.314 1210 HH TYR 152 HH TYR 152 -11.594 20.150 29.304 1211 H ARG 153 H ARG 153 -15.702 21.707 33.042 1212 HA ARG 153 HA ARG 153 -16.763 24.350 32.286 1213 HB2 ARG 153 HB2 ARG 153 -15.796 25.345 34.140 1214 HB3 ARG 153 HB3 ARG 153 -16.310 23.796 34.795 1215 HG2 ARG 153 HG2 ARG 153 -14.198 23.888 35.628 1216 HG3 ARG 153 HG3 ARG 153 -13.872 23.080 34.093 1217 HD2 ARG 153 HD2 ARG 153 -12.810 24.881 33.217 1218 HD3 ARG 153 HD3 ARG 153 -13.843 26.034 34.061 1219 HE ARG 153 HE ARG 153 -12.131 24.665 35.869 1220 HH11 ARG 153 HH11 ARG 153 -12.193 27.207 33.491 1221 HH12 ARG 153 HH12 ARG 153 -10.871 28.077 34.196 1222 HH21 ARG 153 HH21 ARG 153 -10.390 25.802 36.807 1223 HH22 ARG 153 HH22 ARG 153 -9.846 27.276 36.081 1224 HA PRO 154 HA PRO 154 -13.402 24.431 29.410 1225 HB2 PRO 154 HB2 PRO 154 -13.573 27.060 28.756 1226 HB3 PRO 154 HB3 PRO 154 -14.716 25.847 28.166 1227 HG2 PRO 154 HG2 PRO 154 -15.008 27.780 30.433 1228 HG3 PRO 154 HG3 PRO 154 -16.189 27.327 29.190 1229 HD2 PRO 154 HD2 PRO 154 -16.245 26.301 31.696 1230 HD3 PRO 154 HD3 PRO 154 -16.769 25.377 30.273 1231 H LYS 155 H LYS 155 -11.394 24.279 30.205 1232 HA LYS 155 HA LYS 155 -10.415 26.106 32.216 1233 HB2 LYS 155 HB2 LYS 155 -8.380 24.739 32.158 1234 HB3 LYS 155 HB3 LYS 155 -9.816 23.739 32.329 1235 HG2 LYS 155 HG2 LYS 155 -9.723 23.135 29.993 1236 HG3 LYS 155 HG3 LYS 155 -8.355 24.222 29.740 1237 HD2 LYS 155 HD2 LYS 155 -7.585 21.926 29.946 1238 HD3 LYS 155 HD3 LYS 155 -7.022 22.885 31.316 1239 HE2 LYS 155 HE2 LYS 155 -9.599 21.682 31.844 1240 HE3 LYS 155 HE3 LYS 155 -8.397 20.467 31.412 1241 HZ1 LYS 155 HZ1 LYS 155 -8.267 20.738 33.730 1242 HZ2 LYS 155 HZ2 LYS 155 -8.282 22.426 33.630 1243 HZ3 LYS 155 HZ3 LYS 155 -6.925 21.561 33.110 1244 H GLN 156 H GLN 156 -10.851 26.500 29.050 1245 HA GLN 156 HA GLN 156 -10.020 27.919 27.479 1246 HB2 GLN 156 HB2 GLN 156 -8.268 29.043 29.663 1247 HB3 GLN 156 HB3 GLN 156 -8.805 29.852 28.197 1248 HG2 GLN 156 HG2 GLN 156 -10.526 30.671 29.307 1249 HG3 GLN 156 HG3 GLN 156 -11.124 29.032 29.560 1250 HE21 GLN 156 HE21 GLN 156 -11.936 29.395 31.583 1251 HE22 GLN 156 HE22 GLN 156 -10.944 29.710 32.962 1252 H ARG 157 H ARG 157 -8.995 25.596 27.082 1253 HA ARG 157 HA ARG 157 -6.116 25.548 27.296 1254 HB2 ARG 157 HB2 ARG 157 -7.855 23.558 27.319 1255 HB3 ARG 157 HB3 ARG 157 -7.630 23.632 25.577 1256 HG2 ARG 157 HG2 ARG 157 -5.822 22.380 25.802 1257 HG3 ARG 157 HG3 ARG 157 -5.059 23.696 26.696 1258 HD2 ARG 157 HD2 ARG 157 -6.108 22.819 28.770 1259 HD3 ARG 157 HD3 ARG 157 -6.716 21.451 27.838 1260 HE ARG 157 HE ARG 157 -4.023 21.862 28.764 1261 HH11 ARG 157 HH11 ARG 157 -6.045 20.251 26.432 1262 HH12 ARG 157 HH12 ARG 157 -4.911 18.975 26.137 1263 HH21 ARG 157 HH21 ARG 157 -2.522 20.188 28.383 1264 HH22 ARG 157 HH22 ARG 157 -2.907 18.940 27.247 1265 H LEU 158 H LEU 158 -8.407 25.445 24.560 1266 HA LEU 158 HA LEU 158 -6.365 26.005 22.639 1267 HB2 LEU 158 HB2 LEU 158 -9.220 25.414 22.637 1268 HB3 LEU 158 HB3 LEU 158 -8.755 26.586 21.406 1269 HG LEU 158 HG LEU 158 -8.832 24.167 20.683 1270 HD11 LEU 158 HD11 LEU 158 -6.337 24.449 19.733 1271 HD12 LEU 158 HD12 LEU 158 -6.642 26.099 20.276 1272 HD13 LEU 158 HD13 LEU 158 -7.725 25.341 19.109 1273 HD21 LEU 158 HD21 LEU 158 -7.837 23.185 22.681 1274 HD22 LEU 158 HD22 LEU 158 -6.324 24.031 22.355 1275 HD23 LEU 158 HD23 LEU 158 -6.895 22.785 21.245 1276 H ARG 159 H ARG 159 -8.622 27.903 24.493 1277 HA ARG 159 HA ARG 159 -7.256 30.309 24.110 1278 HB2 ARG 159 HB2 ARG 159 -8.979 29.647 21.940 1279 HB3 ARG 159 HB3 ARG 159 -9.695 31.000 22.805 1280 HG2 ARG 159 HG2 ARG 159 -6.926 31.525 22.528 1281 HG3 ARG 159 HG3 ARG 159 -7.544 31.009 20.958 1282 HD2 ARG 159 HD2 ARG 159 -8.930 32.809 20.757 1283 HD3 ARG 159 HD3 ARG 159 -9.159 32.963 22.498 1284 HE ARG 159 HE ARG 159 -6.562 33.646 22.143 1285 HH11 ARG 159 HH11 ARG 159 -9.548 34.710 20.704 1286 HH12 ARG 159 HH12 ARG 159 -8.984 36.322 20.409 1287 HH21 ARG 159 HH21 ARG 159 -5.807 35.764 21.760 1288 HH22 ARG 159 HH22 ARG 159 -6.855 36.920 21.009 1289 H PHE 160 H PHE 160 -8.984 32.245 24.565 1290 HA PHE 160 HA PHE 160 -10.053 31.584 27.155 1291 HB2 PHE 160 HB2 PHE 160 -9.725 34.106 25.571 1292 HB3 PHE 160 HB3 PHE 160 -10.797 34.092 26.968 1293 HD1 PHE 160 HD2 PHE 160 -9.605 32.755 29.051 1294 HD2 PHE 160 HD1 PHE 160 -7.651 34.963 25.982 1295 HE1 PHE 160 HE2 PHE 160 -7.674 33.103 30.536 1296 HE2 PHE 160 HE1 PHE 160 -5.716 35.313 27.461 1297 HZ PHE 160 HZ PHE 160 -5.726 34.384 29.742 1298 H LYS 161 H LYS 161 -12.074 31.025 27.611 1299 HA LYS 161 HA LYS 161 -14.131 31.423 25.542 1300 HB2 LYS 161 HB2 LYS 161 -13.501 29.057 26.235 1301 HB3 LYS 161 HB3 LYS 161 -14.235 29.417 27.792 1302 HG2 LYS 161 HG2 LYS 161 -15.923 30.019 25.472 1303 HG3 LYS 161 HG3 LYS 161 -15.534 28.312 25.691 1304 HD2 LYS 161 HD2 LYS 161 -16.153 29.087 28.238 1305 HD3 LYS 161 HD3 LYS 161 -17.258 30.073 27.276 1306 HE2 LYS 161 HE2 LYS 161 -18.168 28.127 26.216 1307 HE3 LYS 161 HE3 LYS 161 -16.945 27.093 26.952 1308 HZ1 LYS 161 HZ1 LYS 161 -17.991 28.098 29.133 1309 HZ2 LYS 161 HZ2 LYS 161 -18.654 26.738 28.378 1310 HZ3 LYS 161 HZ3 LYS 161 -19.347 28.261 28.135 1311 H ASP 162 H ASP 162 -16.310 31.876 26.268 1312 HA ASP 162 HA ASP 162 -17.780 33.235 27.359 1313 HB2 ASP 162 HB2 ASP 162 -17.554 31.237 28.918 1314 HB3 ASP 162 HB3 ASP 162 -16.471 32.233 29.887 Start of MODEL 15 1 H1 MET 1 H MET 1 0.610 -1.337 -0.636 2 HA MET 1 HA MET 1 0.956 -4.086 -0.333 3 HB2 MET 1 HB2 MET 1 -1.923 -3.235 0.013 4 HB3 MET 1 HB3 MET 1 -1.331 -4.888 -0.090 5 HG2 MET 1 HG2 MET 1 0.004 -3.415 2.004 6 HG3 MET 1 HG3 MET 1 -1.747 -3.400 2.209 7 HE1 MET 1 HE1 MET 1 -1.091 -4.649 4.580 8 HE2 MET 1 HE2 MET 1 -2.655 -5.009 3.849 9 HE3 MET 1 HE3 MET 1 -1.676 -6.312 4.526 10 H ALA 2 H ALA 2 1.445 -2.167 -2.300 11 HA ALA 2 HA ALA 2 1.346 -1.886 -4.557 12 HB1 ALA 2 HB1 ALA 2 -0.303 -4.397 -4.678 13 HB2 ALA 2 HB2 ALA 2 0.772 -3.733 -5.908 14 HB3 ALA 2 HB3 ALA 2 1.443 -4.413 -4.426 15 H ARG 3 H ARG 3 0.160 -0.100 -4.925 16 HA ARG 3 HA ARG 3 -2.409 -0.297 -6.047 17 HB2 ARG 3 HB2 ARG 3 -2.322 0.000 -3.159 18 HB3 ARG 3 HB3 ARG 3 -3.157 1.346 -3.923 19 HG2 ARG 3 HG2 ARG 3 -3.879 -1.380 -4.823 20 HG3 ARG 3 HG3 ARG 3 -4.395 -0.890 -3.208 21 HD2 ARG 3 HD2 ARG 3 -4.973 1.294 -4.833 22 HD3 ARG 3 HD3 ARG 3 -5.427 -0.113 -5.795 23 HE ARG 3 HE ARG 3 -6.400 -0.222 -3.099 24 HH11 ARG 3 HH11 ARG 3 -7.014 0.998 -6.301 25 HH12 ARG 3 HH12 ARG 3 -8.727 1.116 -6.069 26 HH21 ARG 3 HH21 ARG 3 -8.654 -0.071 -2.781 27 HH22 ARG 3 HH22 ARG 3 -9.659 0.509 -4.067 28 H MET 4 H MET 4 -3.410 1.945 -6.340 29 HA MET 4 HA MET 4 -1.917 4.285 -5.947 30 HB2 MET 4 HB2 MET 4 -0.674 2.765 -7.819 31 HB3 MET 4 HB3 MET 4 -1.758 3.703 -8.838 32 HG2 MET 4 HG2 MET 4 0.128 5.009 -8.818 33 HG3 MET 4 HG3 MET 4 -0.828 5.732 -7.526 34 HE1 MET 4 HE1 MET 4 1.949 3.382 -8.540 35 HE2 MET 4 HE2 MET 4 2.940 3.163 -7.098 36 HE3 MET 4 HE3 MET 4 1.412 2.297 -7.258 37 H ASN 5 H ASN 5 -3.070 6.088 -6.529 38 HA ASN 5 HA ASN 5 -5.024 6.237 -8.523 39 HB2 ASN 5 HB2 ASN 5 -5.906 4.962 -6.069 40 HB3 ASN 5 HB3 ASN 5 -6.830 6.424 -6.399 41 HD21 ASN 5 HD21 ASN 5 -7.467 3.501 -6.528 42 HD22 ASN 5 HD22 ASN 5 -8.141 3.273 -8.102 43 H ARG 6 H ARG 6 -6.689 8.111 -7.879 44 HA ARG 6 HA ARG 6 -5.066 10.225 -6.622 45 HB2 ARG 6 HB2 ARG 6 -7.227 10.673 -8.675 46 HB3 ARG 6 HB3 ARG 6 -5.997 11.806 -8.133 47 HG2 ARG 6 HG2 ARG 6 -5.061 11.204 -10.101 48 HG3 ARG 6 HG3 ARG 6 -4.394 9.917 -9.095 49 HD2 ARG 6 HD2 ARG 6 -5.662 8.319 -10.067 50 HD3 ARG 6 HD3 ARG 6 -7.048 9.391 -10.261 51 HE ARG 6 HE ARG 6 -5.008 8.849 -12.191 52 HH11 ARG 6 HH11 ARG 6 -7.283 11.240 -11.081 53 HH12 ARG 6 HH12 ARG 6 -7.396 12.034 -12.617 54 HH21 ARG 6 HH21 ARG 6 -5.149 9.886 -14.217 55 HH22 ARG 6 HH22 ARG 6 -6.183 11.262 -14.400 56 HA PRO 7 HA PRO 7 -8.868 9.659 -4.024 57 HB2 PRO 7 HB2 PRO 7 -7.554 9.832 -1.655 58 HB3 PRO 7 HB3 PRO 7 -7.736 8.315 -2.543 59 HG2 PRO 7 HG2 PRO 7 -5.396 10.178 -2.438 60 HG3 PRO 7 HG3 PRO 7 -5.419 8.407 -2.370 61 HD2 PRO 7 HD2 PRO 7 -4.816 9.770 -4.630 62 HD3 PRO 7 HD3 PRO 7 -5.638 8.196 -4.655 63 H ALA 8 H ALA 8 -10.046 11.437 -3.747 64 HA ALA 8 HA ALA 8 -8.677 13.963 -3.112 65 HB1 ALA 8 HB1 ALA 8 -11.360 14.450 -3.855 66 HB2 ALA 8 HB2 ALA 8 -9.890 14.842 -4.747 67 HB3 ALA 8 HB3 ALA 8 -10.693 13.295 -5.009 68 HA PRO 9 HA PRO 9 -10.724 13.064 0.863 69 HB2 PRO 9 HB2 PRO 9 -8.996 14.564 2.323 70 HB3 PRO 9 HB3 PRO 9 -8.648 12.902 1.834 71 HG2 PRO 9 HG2 PRO 9 -7.727 15.470 0.604 72 HG3 PRO 9 HG3 PRO 9 -6.807 13.987 0.919 73 HD2 PRO 9 HD2 PRO 9 -7.777 14.607 -1.532 74 HD3 PRO 9 HD3 PRO 9 -7.621 12.933 -0.962 75 H VAL 10 H VAL 10 -10.828 14.985 2.769 76 HA VAL 10 HA VAL 10 -11.958 17.355 1.438 77 HB VAL 10 HB VAL 10 -13.243 15.623 3.529 78 HG11 VAL 10 HG11 VAL 10 -14.925 17.460 3.805 79 HG12 VAL 10 HG12 VAL 10 -13.343 17.795 4.510 80 HG13 VAL 10 HG13 VAL 10 -13.799 18.531 2.973 81 HG21 VAL 10 HG21 VAL 10 -14.064 16.754 0.868 82 HG22 VAL 10 HG22 VAL 10 -13.927 15.062 1.345 83 HG23 VAL 10 HG23 VAL 10 -15.226 16.060 1.998 84 H GLU 11 H GLU 11 -10.959 19.122 2.119 85 HA GLU 11 HA GLU 11 -9.642 19.105 4.735 86 HB2 GLU 11 HB2 GLU 11 -8.104 19.762 3.099 87 HB3 GLU 11 HB3 GLU 11 -9.289 20.737 2.242 88 HG2 GLU 11 HG2 GLU 11 -9.259 22.383 4.021 89 HG3 GLU 11 HG3 GLU 11 -8.124 21.394 4.938 90 H VAL 12 H VAL 12 -10.451 20.189 6.403 91 HA VAL 12 HA VAL 12 -12.527 22.215 5.878 92 HB VAL 12 HB VAL 12 -13.567 20.405 7.007 93 HG11 VAL 12 HG11 VAL 12 -11.463 19.337 7.780 94 HG12 VAL 12 HG12 VAL 12 -11.391 20.515 9.091 95 HG13 VAL 12 HG13 VAL 12 -12.728 19.368 9.007 96 HG21 VAL 12 HG21 VAL 12 -14.025 22.721 7.851 97 HG22 VAL 12 HG22 VAL 12 -14.371 21.432 9.004 98 HG23 VAL 12 HG23 VAL 12 -12.902 22.393 9.171 99 H SER 13 H SER 13 -11.608 24.160 6.068 100 HA SER 13 HA SER 13 -9.552 24.612 8.090 101 HB2 SER 13 HB2 SER 13 -8.807 26.332 6.795 102 HB3 SER 13 HB3 SER 13 -9.697 25.478 5.535 103 HG SER 13 HG SER 13 -11.480 26.850 5.990 104 H TYR 14 H TYR 14 -9.984 25.499 9.993 105 HA TYR 14 HA TYR 14 -12.619 26.708 10.416 106 HB2 TYR 14 HB2 TYR 14 -11.307 24.832 11.883 107 HB3 TYR 14 HB3 TYR 14 -10.841 26.298 12.736 108 HD1 TYR 14 HD2 TYR 14 -14.017 25.151 11.124 109 HD2 TYR 14 HD1 TYR 14 -12.097 26.562 14.649 110 HE1 TYR 14 HE2 TYR 14 -16.180 25.149 12.296 111 HE2 TYR 14 HE1 TYR 14 -14.254 26.563 15.831 112 HH TYR 14 HH TYR 14 -16.801 24.952 15.010 113 H LYS 15 H LYS 15 -11.932 28.143 12.763 114 HA LYS 15 HA LYS 15 -11.290 30.645 11.707 115 HB2 LYS 15 HB2 LYS 15 -11.028 31.361 14.069 116 HB3 LYS 15 HB3 LYS 15 -12.504 30.449 13.785 117 HG2 LYS 15 HG2 LYS 15 -11.089 28.415 14.562 118 HG3 LYS 15 HG3 LYS 15 -10.043 29.648 15.270 119 HD2 LYS 15 HD2 LYS 15 -12.997 29.323 15.798 120 HD3 LYS 15 HD3 LYS 15 -11.695 28.836 16.885 121 HE2 LYS 15 HE2 LYS 15 -12.424 31.627 16.019 122 HE3 LYS 15 HE3 LYS 15 -12.533 30.942 17.639 123 HZ1 LYS 15 HZ1 LYS 15 -10.072 30.679 17.557 124 HZ2 LYS 15 HZ2 LYS 15 -10.599 32.286 17.552 125 HZ3 LYS 15 HZ3 LYS 15 -10.066 31.567 16.116 126 H HIS 16 H HIS 16 -9.262 28.427 13.616 127 HA HIS 16 HA HIS 16 -6.899 29.565 12.325 128 HB2 HIS 16 HB2 HIS 16 -7.394 29.465 15.292 129 HB3 HIS 16 HB3 HIS 16 -5.759 29.474 14.637 130 HD1 HIS 16 HD1 HIS 16 -6.059 31.557 12.420 131 HD2 HIS 16 HD2 HIS 16 -7.641 32.000 16.236 132 HE1 HIS 16 HE1 HIS 16 -6.336 34.035 12.749 133 H MET 17 H MET 17 -8.087 27.147 11.729 134 HA MET 17 HA MET 17 -5.914 25.343 12.238 135 HB2 MET 17 HB2 MET 17 -6.838 23.882 13.692 136 HB3 MET 17 HB3 MET 17 -7.830 25.259 14.153 137 HG2 MET 17 HG2 MET 17 -9.449 24.433 12.337 138 HG3 MET 17 HG3 MET 17 -8.541 22.925 12.424 139 HE1 MET 17 HE1 MET 17 -9.525 25.057 16.002 140 HE2 MET 17 HE2 MET 17 -9.977 25.686 14.417 141 HE3 MET 17 HE3 MET 17 -11.195 24.936 15.449 142 H ARG 18 H ARG 18 -6.425 23.134 11.199 143 HA ARG 18 HA ARG 18 -8.414 23.160 9.114 144 HB2 ARG 18 HB2 ARG 18 -6.275 24.476 8.345 145 HB3 ARG 18 HB3 ARG 18 -5.599 22.866 8.142 146 HG2 ARG 18 HG2 ARG 18 -7.084 22.315 6.449 147 HG3 ARG 18 HG3 ARG 18 -8.230 23.574 6.913 148 HD2 ARG 18 HD2 ARG 18 -5.529 23.970 5.634 149 HD3 ARG 18 HD3 ARG 18 -7.101 24.206 4.871 150 HE ARG 18 HE ARG 18 -6.962 25.840 7.139 151 HH11 ARG 18 HH11 ARG 18 -5.500 25.531 3.995 152 HH12 ARG 18 HH12 ARG 18 -5.172 27.225 3.837 153 HH21 ARG 18 HH21 ARG 18 -6.536 28.072 6.943 154 HH22 ARG 18 HH22 ARG 18 -5.761 28.669 5.515 155 H PHE 19 H PHE 19 -9.153 21.155 8.959 156 HA PHE 19 HA PHE 19 -7.334 18.935 9.624 157 HB2 PHE 19 HB2 PHE 19 -10.266 19.321 10.181 158 HB3 PHE 19 HB3 PHE 19 -9.541 17.716 10.172 159 HD1 PHE 19 HD1 PHE 19 -8.604 21.061 11.545 160 HD2 PHE 19 HD2 PHE 19 -9.124 16.899 12.264 161 HE1 PHE 19 HE1 PHE 19 -7.887 21.378 13.878 162 HE2 PHE 19 HE2 PHE 19 -8.409 17.209 14.598 163 HZ PHE 19 HZ PHE 19 -7.790 19.451 15.408 164 H LEU 20 H LEU 20 -8.022 16.820 8.616 165 HA LEU 20 HA LEU 20 -9.187 17.213 5.947 166 HB2 LEU 20 HB2 LEU 20 -6.471 16.571 6.570 167 HB3 LEU 20 HB3 LEU 20 -7.217 15.200 5.752 168 HG LEU 20 HG LEU 20 -6.156 16.519 4.091 169 HD11 LEU 20 HD11 LEU 20 -8.952 16.107 4.132 170 HD12 LEU 20 HD12 LEU 20 -7.880 16.212 2.736 171 HD13 LEU 20 HD13 LEU 20 -8.655 17.666 3.362 172 HD21 LEU 20 HD21 LEU 20 -6.472 18.872 3.807 173 HD22 LEU 20 HD22 LEU 20 -6.011 18.583 5.485 174 HD23 LEU 20 HD23 LEU 20 -7.695 18.915 5.077 175 H ILE 21 H ILE 21 -11.018 16.074 6.050 176 HA ILE 21 HA ILE 21 -11.142 13.589 7.548 177 HB ILE 21 HB ILE 21 -13.568 13.724 6.399 178 HG12 ILE 21 HG12 ILE 21 -12.624 15.919 5.288 179 HG13 ILE 21 HG13 ILE 21 -14.284 15.855 5.870 180 HG21 ILE 21 HG21 ILE 21 -13.267 13.569 8.754 181 HG22 ILE 21 HG22 ILE 21 -12.577 15.189 8.834 182 HG23 ILE 21 HG23 ILE 21 -14.285 14.976 8.452 183 HD11 ILE 21 HD11 ILE 21 -13.828 17.193 7.695 184 HD12 ILE 21 HD12 ILE 21 -12.099 16.848 7.645 185 HD13 ILE 21 HD13 ILE 21 -12.824 17.901 6.430 186 H THR 22 H THR 22 -10.736 11.680 6.673 187 HA THR 22 HA THR 22 -10.913 11.400 3.746 188 HB THR 22 HB THR 22 -9.380 9.547 5.560 189 HG1 THR 22 HG1 THR 22 -8.423 11.897 4.255 190 HG21 THR 22 HG21 THR 22 -9.644 9.992 2.637 191 HG22 THR 22 HG22 THR 22 -9.425 8.492 3.539 192 HG23 THR 22 HG23 THR 22 -8.049 9.555 3.248 193 H HIS 23 H HIS 23 -11.630 9.328 2.907 194 HA HIS 23 HA HIS 23 -13.008 7.498 4.642 195 HB2 HIS 23 HB2 HIS 23 -15.238 7.856 3.848 196 HB3 HIS 23 HB3 HIS 23 -14.621 9.414 4.390 197 HD1 HIS 23 HD1 HIS 23 -13.342 10.691 2.140 198 HD2 HIS 23 HD2 HIS 23 -16.599 8.179 1.551 199 HE1 HIS 23 HE1 HIS 23 -14.292 11.335 -0.098 200 H ASN 24 H ASN 24 -14.618 6.188 2.902 201 HA ASN 24 HA ASN 24 -14.628 4.650 1.227 202 HB2 ASN 24 HB2 ASN 24 -13.286 6.986 0.072 203 HB3 ASN 24 HB3 ASN 24 -12.842 5.469 -0.705 204 HD21 ASN 24 HD21 ASN 24 -14.429 7.754 -1.664 205 HD22 ASN 24 HD22 ASN 24 -15.944 7.089 -2.160 206 HA PRO 25 HA PRO 25 -11.281 1.877 1.820 207 HB2 PRO 25 HB2 PRO 25 -11.174 0.528 -0.533 208 HB3 PRO 25 HB3 PRO 25 -12.476 0.308 0.641 209 HG2 PRO 25 HG2 PRO 25 -12.435 1.961 -1.854 210 HG3 PRO 25 HG3 PRO 25 -13.717 0.904 -1.233 211 HD2 PRO 25 HD2 PRO 25 -13.777 3.595 -0.940 212 HD3 PRO 25 HD3 PRO 25 -14.471 2.488 0.262 213 H THR 26 H THR 26 -9.421 0.838 0.124 214 HA THR 26 HA THR 26 -7.478 1.232 -1.026 215 HB THR 26 HB THR 26 -8.104 4.134 -1.397 216 HG1 THR 26 HG1 THR 26 -9.267 3.266 -3.378 217 HG21 THR 26 HG21 THR 26 -6.321 3.915 -2.720 218 HG22 THR 26 HG22 THR 26 -7.299 2.898 -3.777 219 HG23 THR 26 HG23 THR 26 -6.316 2.165 -2.510 220 H ASN 27 H ASN 27 -7.681 1.446 1.785 221 HA ASN 27 HA ASN 27 -5.464 3.304 2.299 222 HB2 ASN 27 HB2 ASN 27 -7.763 2.861 4.213 223 HB3 ASN 27 HB3 ASN 27 -6.422 3.985 4.409 224 HD21 ASN 27 HD21 ASN 27 -9.385 4.333 4.259 225 HD22 ASN 27 HD22 ASN 27 -9.623 5.538 3.044 226 H ALA 28 H ALA 28 -6.277 0.222 2.110 227 HA ALA 28 HA ALA 28 -5.209 -0.755 4.614 228 HB1 ALA 28 HB1 ALA 28 -5.945 -2.274 2.115 229 HB2 ALA 28 HB2 ALA 28 -5.603 -2.969 3.699 230 HB3 ALA 28 HB3 ALA 28 -7.024 -1.951 3.472 231 H THR 29 H THR 29 -3.830 0.545 1.937 232 HA THR 29 HA THR 29 -1.462 -1.198 2.057 233 HB THR 29 HB THR 29 -1.866 -1.149 -0.184 234 HG1 THR 29 HG1 THR 29 -0.453 0.303 -1.122 235 HG21 THR 29 HG21 THR 29 -3.921 0.133 -0.073 236 HG22 THR 29 HG22 THR 29 -2.912 0.749 -1.381 237 HG23 THR 29 HG23 THR 29 -3.010 1.626 0.145 238 H LEU 30 H LEU 30 -2.626 2.048 2.533 239 HA LEU 30 HA LEU 30 -1.697 3.873 3.524 240 HB2 LEU 30 HB2 LEU 30 -0.531 1.703 4.781 241 HB3 LEU 30 HB3 LEU 30 0.844 2.696 4.302 242 HG LEU 30 HG LEU 30 -0.154 4.604 5.516 243 HD11 LEU 30 HD11 LEU 30 -2.503 3.354 5.328 244 HD12 LEU 30 HD12 LEU 30 -2.150 4.541 6.583 245 HD13 LEU 30 HD13 LEU 30 -2.032 2.818 6.941 246 HD21 LEU 30 HD21 LEU 30 -0.125 2.592 7.632 247 HD22 LEU 30 HD22 LEU 30 0.926 3.985 7.374 248 HD23 LEU 30 HD23 LEU 30 1.240 2.473 6.521 249 H SER 31 H SER 31 -0.933 2.837 0.748 250 HA SER 31 HA SER 31 1.679 4.020 0.328 251 HB2 SER 31 HB2 SER 31 1.163 2.046 -0.959 252 HB3 SER 31 HB3 SER 31 -0.317 2.778 -1.576 253 HG SER 31 HG SER 31 0.899 4.203 -2.769 254 H THR 32 H THR 32 -1.401 4.519 -1.391 255 HA THR 32 HA THR 32 -0.664 7.182 -2.143 256 HB THR 32 HB THR 32 -3.360 5.832 -2.372 257 HG1 THR 32 HG1 THR 32 -1.527 6.146 -4.494 258 HG21 THR 32 HG21 THR 32 -3.462 8.275 -2.579 259 HG22 THR 32 HG22 THR 32 -3.790 7.485 -4.122 260 HG23 THR 32 HG23 THR 32 -2.215 8.220 -3.824 261 H PHE 33 H PHE 33 -2.363 5.757 0.499 262 HA PHE 33 HA PHE 33 -4.018 7.864 1.287 263 HB2 PHE 33 HB2 PHE 33 -4.364 5.820 2.393 264 HB3 PHE 33 HB3 PHE 33 -2.660 5.649 2.801 265 HD1 PHE 33 HD1 PHE 33 -5.333 8.197 3.365 266 HD2 PHE 33 HD2 PHE 33 -2.204 5.841 5.031 267 HE1 PHE 33 HE1 PHE 33 -5.768 9.187 5.576 268 HE2 PHE 33 HE2 PHE 33 -2.635 6.826 7.244 269 HZ PHE 33 HZ PHE 33 -4.419 8.501 7.519 270 H ILE 34 H ILE 34 -0.754 7.073 2.490 271 HA ILE 34 HA ILE 34 -0.416 9.320 4.099 272 HB ILE 34 HB ILE 34 1.781 7.915 2.579 273 HG12 ILE 34 HG12 ILE 34 0.318 6.330 3.817 274 HG13 ILE 34 HG13 ILE 34 1.955 6.394 4.459 275 HG21 ILE 34 HG21 ILE 34 2.898 9.637 3.537 276 HG22 ILE 34 HG22 ILE 34 1.689 9.865 4.799 277 HG23 ILE 34 HG23 ILE 34 2.867 8.560 4.933 278 HD11 ILE 34 HD11 ILE 34 1.124 7.949 6.216 279 HD12 ILE 34 HD12 ILE 34 -0.511 7.655 5.622 280 HD13 ILE 34 HD13 ILE 34 0.438 6.326 6.287 281 H GLU 35 H GLU 35 0.226 8.865 0.658 282 HA GLU 35 HA GLU 35 1.547 11.318 0.220 283 HB2 GLU 35 HB2 GLU 35 -0.139 9.874 -1.819 284 HB3 GLU 35 HB3 GLU 35 1.260 10.900 -2.104 285 HG2 GLU 35 HG2 GLU 35 2.106 8.811 -0.413 286 HG3 GLU 35 HG3 GLU 35 1.148 8.083 -1.701 287 H ASP 36 H ASP 36 -1.838 10.422 0.315 288 HA ASP 36 HA ASP 36 -2.899 12.755 -0.860 289 HB2 ASP 36 HB2 ASP 36 -3.963 10.402 -0.033 290 HB3 ASP 36 HB3 ASP 36 -4.494 11.464 1.268 291 H LEU 37 H LEU 37 -2.493 11.865 2.566 292 HA LEU 37 HA LEU 37 -3.318 14.420 3.526 293 HB2 LEU 37 HB2 LEU 37 -2.545 13.626 5.700 294 HB3 LEU 37 HB3 LEU 37 -3.555 12.431 4.888 295 HG LEU 37 HG LEU 37 -1.250 11.427 4.150 296 HD11 LEU 37 HD11 LEU 37 0.146 11.837 6.447 297 HD12 LEU 37 HD12 LEU 37 -0.516 13.443 6.145 298 HD13 LEU 37 HD13 LEU 37 0.465 12.649 4.914 299 HD21 LEU 37 HD21 LEU 37 -1.486 10.759 6.932 300 HD22 LEU 37 HD22 LEU 37 -1.910 9.803 5.511 301 HD23 LEU 37 HD23 LEU 37 -3.085 10.920 6.207 302 H LYS 38 H LYS 38 -0.356 13.138 2.354 303 HA LYS 38 HA LYS 38 1.323 15.093 3.663 304 HB2 LYS 38 HB2 LYS 38 1.751 12.840 1.754 305 HB3 LYS 38 HB3 LYS 38 2.975 14.100 1.841 306 HG2 LYS 38 HG2 LYS 38 2.641 13.588 4.462 307 HG3 LYS 38 HG3 LYS 38 2.272 12.002 3.780 308 HD2 LYS 38 HD2 LYS 38 4.751 13.590 3.125 309 HD3 LYS 38 HD3 LYS 38 4.677 12.340 4.369 310 HE2 LYS 38 HE2 LYS 38 4.516 10.642 2.846 311 HE3 LYS 38 HE3 LYS 38 3.721 11.653 1.641 312 HZ1 LYS 38 HZ1 LYS 38 6.390 10.945 1.733 313 HZ2 LYS 38 HZ2 LYS 38 6.346 12.588 2.131 314 HZ3 LYS 38 HZ3 LYS 38 5.661 12.050 0.680 315 H LYS 39 H LYS 39 -0.035 14.558 0.447 316 HA LYS 39 HA LYS 39 1.285 16.759 -0.781 317 HB2 LYS 39 HB2 LYS 39 -0.160 16.366 -2.660 318 HB3 LYS 39 HB3 LYS 39 0.335 14.807 -2.014 319 HG2 LYS 39 HG2 LYS 39 -1.804 14.557 -0.903 320 HG3 LYS 39 HG3 LYS 39 -2.303 16.153 -1.466 321 HD2 LYS 39 HD2 LYS 39 -1.461 14.020 -3.399 322 HD3 LYS 39 HD3 LYS 39 -3.109 14.081 -2.771 323 HE2 LYS 39 HE2 LYS 39 -3.250 16.438 -3.564 324 HE3 LYS 39 HE3 LYS 39 -1.667 16.235 -4.312 325 HZ1 LYS 39 HZ1 LYS 39 -3.648 14.225 -4.990 326 HZ2 LYS 39 HZ2 LYS 39 -2.513 15.003 -5.974 327 HZ3 LYS 39 HZ3 LYS 39 -3.961 15.781 -5.577 328 H TYR 40 H TYR 40 -1.818 16.339 0.826 329 HA TYR 40 HA TYR 40 -2.889 18.868 0.116 330 HB2 TYR 40 HB2 TYR 40 -3.588 16.693 2.001 331 HB3 TYR 40 HB3 TYR 40 -4.212 18.291 2.396 332 HD1 TYR 40 HD2 TYR 40 -3.981 15.923 -0.482 333 HD2 TYR 40 HD1 TYR 40 -6.228 18.960 1.475 334 HE1 TYR 40 HE2 TYR 40 -5.810 15.600 -2.094 335 HE2 TYR 40 HE1 TYR 40 -8.064 18.645 -0.131 336 HH TYR 40 HH TYR 40 -7.807 16.285 -2.775 337 H GLY 41 H GLY 41 -0.379 18.012 2.176 338 HA2 GLY 41 HA2 GLY 41 0.997 19.505 3.338 339 HA3 GLY 41 HA3 GLY 41 -0.271 20.717 3.238 340 H ALA 42 H ALA 42 -0.948 17.496 4.373 341 HA ALA 42 HA ALA 42 -1.502 18.612 7.032 342 HB1 ALA 42 HB1 ALA 42 -3.318 17.459 5.707 343 HB2 ALA 42 HB2 ALA 42 -2.439 15.954 5.982 344 HB3 ALA 42 HB3 ALA 42 -3.067 16.872 7.351 345 H THR 43 H THR 43 0.003 18.288 8.522 346 HA THR 43 HA THR 43 1.889 16.086 8.254 347 HB THR 43 HB THR 43 3.163 17.137 10.010 348 HG1 THR 43 HG1 THR 43 0.755 18.494 10.449 349 HG21 THR 43 HG21 THR 43 3.431 18.103 7.792 350 HG22 THR 43 HG22 THR 43 3.564 19.360 9.022 351 HG23 THR 43 HG23 THR 43 2.079 19.196 8.085 352 H THR 44 H THR 44 -0.804 15.377 8.870 353 HA THR 44 HA THR 44 -0.322 13.932 11.355 354 HB THR 44 HB THR 44 -3.030 14.668 11.536 355 HG1 THR 44 HG1 THR 44 -1.532 17.051 11.501 356 HG21 THR 44 HG21 THR 44 -1.208 14.219 13.304 357 HG22 THR 44 HG22 THR 44 -2.443 15.424 13.670 358 HG23 THR 44 HG23 THR 44 -0.838 15.936 13.148 359 H VAL 45 H VAL 45 -1.246 11.933 11.401 360 HA VAL 45 HA VAL 45 -2.431 10.996 8.923 361 HB VAL 45 HB VAL 45 -1.990 9.270 11.337 362 HG11 VAL 45 HG11 VAL 45 -1.230 8.228 8.748 363 HG12 VAL 45 HG12 VAL 45 -2.382 7.594 9.924 364 HG13 VAL 45 HG13 VAL 45 -2.896 8.807 8.751 365 HG21 VAL 45 HG21 VAL 45 0.313 8.859 10.533 366 HG22 VAL 45 HG22 VAL 45 0.120 10.180 9.381 367 HG23 VAL 45 HG23 VAL 45 0.072 10.507 11.114 368 H VAL 46 H VAL 46 -4.445 10.015 8.732 369 HA VAL 46 HA VAL 46 -6.462 11.017 10.521 370 HB VAL 46 HB VAL 46 -8.055 10.285 8.977 371 HG11 VAL 46 HG11 VAL 46 -6.973 10.765 6.689 372 HG12 VAL 46 HG12 VAL 46 -6.937 12.033 7.916 373 HG13 VAL 46 HG13 VAL 46 -5.500 11.056 7.613 374 HG21 VAL 46 HG21 VAL 46 -7.915 8.113 8.442 375 HG22 VAL 46 HG22 VAL 46 -6.962 8.669 7.066 376 HG23 VAL 46 HG23 VAL 46 -6.154 8.105 8.529 377 H ARG 47 H ARG 47 -4.780 9.338 11.929 378 HA ARG 47 HA ARG 47 -5.780 6.676 12.094 379 HB2 ARG 47 HB2 ARG 47 -4.402 7.960 14.409 380 HB3 ARG 47 HB3 ARG 47 -4.212 6.340 13.751 381 HG2 ARG 47 HG2 ARG 47 -3.287 7.812 11.689 382 HG3 ARG 47 HG3 ARG 47 -2.841 8.842 13.051 383 HD2 ARG 47 HD2 ARG 47 -1.046 7.543 13.287 384 HD3 ARG 47 HD3 ARG 47 -2.143 6.301 13.887 385 HE ARG 47 HE ARG 47 -0.946 6.444 11.234 386 HH11 ARG 47 HH11 ARG 47 -3.152 4.871 13.421 387 HH12 ARG 47 HH12 ARG 47 -3.246 3.415 12.485 388 HH21 ARG 47 HH21 ARG 47 -1.062 4.533 9.994 389 HH22 ARG 47 HH22 ARG 47 -2.057 3.224 10.537 390 H VAL 48 H VAL 48 -7.311 9.442 12.777 391 HA VAL 48 HA VAL 48 -8.396 8.984 15.359 392 HB VAL 48 HB VAL 48 -9.678 10.560 13.128 393 HG11 VAL 48 HG11 VAL 48 -9.988 11.691 15.726 394 HG12 VAL 48 HG12 VAL 48 -11.229 11.081 14.629 395 HG13 VAL 48 HG13 VAL 48 -10.461 9.993 15.785 396 HG21 VAL 48 HG21 VAL 48 -7.287 11.105 14.764 397 HG22 VAL 48 HG22 VAL 48 -7.738 11.718 13.173 398 HG23 VAL 48 HG23 VAL 48 -8.444 12.429 14.624 399 H CYS 49 H CYS 49 -8.891 6.684 15.129 400 HA CYS 49 HA CYS 49 -11.612 6.181 14.860 401 HB2 CYS 49 HB2 CYS 49 -11.785 4.939 12.802 402 HB3 CYS 49 HB3 CYS 49 -11.136 6.532 12.433 403 HG CYS 49 HG CYS 49 -8.757 5.786 11.602 404 H GLU 50 H GLU 50 -11.617 3.508 14.042 405 HA GLU 50 HA GLU 50 -10.507 2.266 16.366 406 HB2 GLU 50 HB2 GLU 50 -12.669 1.674 15.024 407 HB3 GLU 50 HB3 GLU 50 -11.575 0.724 14.028 408 HG2 GLU 50 HG2 GLU 50 -12.659 -0.607 15.776 409 HG3 GLU 50 HG3 GLU 50 -10.904 -0.587 15.932 410 H VAL 51 H VAL 51 -8.311 3.218 15.423 411 HA VAL 51 HA VAL 51 -7.003 1.542 13.488 412 HB VAL 51 HB VAL 51 -4.968 2.825 14.073 413 HG11 VAL 51 HG11 VAL 51 -7.266 4.724 13.702 414 HG12 VAL 51 HG12 VAL 51 -5.635 4.825 13.035 415 HG13 VAL 51 HG13 VAL 51 -6.759 3.604 12.437 416 HG21 VAL 51 HG21 VAL 51 -5.809 4.942 15.575 417 HG22 VAL 51 HG22 VAL 51 -6.643 3.594 16.348 418 HG23 VAL 51 HG23 VAL 51 -4.887 3.569 16.188 419 H THR 52 H THR 52 -5.462 -0.018 13.830 420 HA THR 52 HA THR 52 -4.625 -0.670 16.534 421 HB THR 52 HB THR 52 -5.367 -2.975 16.467 422 HG1 THR 52 HG1 THR 52 -6.574 -2.279 13.977 423 HG21 THR 52 HG21 THR 52 -6.908 -1.279 17.393 424 HG22 THR 52 HG22 THR 52 -7.763 -2.658 16.701 425 HG23 THR 52 HG23 THR 52 -7.673 -1.139 15.811 426 H TYR 53 H TYR 53 -3.163 0.281 14.338 427 HA TYR 53 HA TYR 53 -1.323 -1.960 13.962 428 HB2 TYR 53 HB2 TYR 53 -1.965 -2.197 11.822 429 HB3 TYR 53 HB3 TYR 53 -2.903 -0.708 11.856 430 HD1 TYR 53 HD1 TYR 53 0.409 -2.159 11.178 431 HD2 TYR 53 HD2 TYR 53 -1.982 1.358 11.043 432 HE1 TYR 53 HE1 TYR 53 2.099 -1.071 9.760 433 HE2 TYR 53 HE2 TYR 53 -0.299 2.455 9.624 434 HH TYR 53 HH TYR 53 1.867 2.323 8.900 435 H ASP 54 H ASP 54 0.701 -1.382 14.391 436 HA ASP 54 HA ASP 54 1.475 1.051 15.389 437 HB2 ASP 54 HB2 ASP 54 2.943 -1.243 14.186 438 HB3 ASP 54 HB3 ASP 54 3.837 0.253 14.440 439 H LYS 55 H LYS 55 3.181 2.535 14.433 440 HA LYS 55 HA LYS 55 2.394 3.237 11.682 441 HB2 LYS 55 HB2 LYS 55 3.386 5.549 12.518 442 HB3 LYS 55 HB3 LYS 55 1.720 5.091 12.844 443 HG2 LYS 55 HG2 LYS 55 3.791 4.336 14.833 444 HG3 LYS 55 HG3 LYS 55 3.300 6.028 14.733 445 HD2 LYS 55 HD2 LYS 55 1.273 5.618 15.622 446 HD3 LYS 55 HD3 LYS 55 1.081 4.104 14.736 447 HE2 LYS 55 HE2 LYS 55 2.753 3.103 16.347 448 HE3 LYS 55 HE3 LYS 55 2.589 4.577 17.299 449 HZ1 LYS 55 HZ1 LYS 55 0.248 4.131 17.564 450 HZ2 LYS 55 HZ2 LYS 55 1.138 2.792 18.087 451 HZ3 LYS 55 HZ3 LYS 55 0.355 2.753 16.588 452 H THR 56 H THR 56 3.928 2.416 10.384 453 HA THR 56 HA THR 56 6.742 2.652 11.156 454 HB THR 56 HB THR 56 7.014 0.694 10.134 455 HG1 THR 56 HG1 THR 56 7.064 0.674 7.966 456 HG21 THR 56 HG21 THR 56 5.098 -0.581 9.351 457 HG22 THR 56 HG22 THR 56 4.128 0.889 9.264 458 HG23 THR 56 HG23 THR 56 4.681 0.288 10.827 459 HA PRO 57 HA PRO 57 6.691 4.774 6.815 460 HB2 PRO 57 HB2 PRO 57 4.267 5.252 5.691 461 HB3 PRO 57 HB3 PRO 57 5.168 3.755 5.428 462 HG2 PRO 57 HG2 PRO 57 2.900 4.296 7.305 463 HG3 PRO 57 HG3 PRO 57 3.178 2.889 6.263 464 HD2 PRO 57 HD2 PRO 57 3.730 2.870 8.914 465 HD3 PRO 57 HD3 PRO 57 4.674 1.936 7.735 466 H LEU 58 H LEU 58 3.441 5.777 7.849 467 HA LEU 58 HA LEU 58 3.813 8.492 7.655 468 HB2 LEU 58 HB2 LEU 58 1.892 8.766 9.038 469 HB3 LEU 58 HB3 LEU 58 1.655 7.331 8.043 470 HG LEU 58 HG LEU 58 0.807 6.855 10.213 471 HD11 LEU 58 HD11 LEU 58 2.316 5.165 9.009 472 HD12 LEU 58 HD12 LEU 58 1.943 4.884 10.709 473 HD13 LEU 58 HD13 LEU 58 3.508 5.556 10.249 474 HD21 LEU 58 HD21 LEU 58 3.361 7.210 11.642 475 HD22 LEU 58 HD22 LEU 58 1.707 7.509 12.176 476 HD23 LEU 58 HD23 LEU 58 2.534 8.691 11.160 477 H GLU 59 H GLU 59 5.146 6.359 9.964 478 HA GLU 59 HA GLU 59 5.536 8.265 12.063 479 HB2 GLU 59 HB2 GLU 59 5.520 6.032 12.782 480 HB3 GLU 59 HB3 GLU 59 6.602 5.515 11.496 481 HG2 GLU 59 HG2 GLU 59 8.470 6.162 12.610 482 HG3 GLU 59 HG3 GLU 59 7.649 7.473 13.454 483 H LYS 60 H LYS 60 7.854 6.645 9.885 484 HA LYS 60 HA LYS 60 10.004 8.364 10.502 485 HB2 LYS 60 HB2 LYS 60 9.626 6.775 7.961 486 HB3 LYS 60 HB3 LYS 60 11.147 7.342 8.638 487 HG2 LYS 60 HG2 LYS 60 9.332 5.216 9.745 488 HG3 LYS 60 HG3 LYS 60 10.960 5.015 9.092 489 HD2 LYS 60 HD2 LYS 60 11.880 6.314 10.929 490 HD3 LYS 60 HD3 LYS 60 10.257 6.601 11.563 491 HE2 LYS 60 HE2 LYS 60 10.116 3.993 11.570 492 HE3 LYS 60 HE3 LYS 60 11.876 4.090 11.546 493 HZ1 LYS 60 HZ1 LYS 60 11.575 5.672 13.510 494 HZ2 LYS 60 HZ2 LYS 60 11.345 4.019 13.788 495 HZ3 LYS 60 HZ3 LYS 60 10.008 5.042 13.623 496 H ASP 61 H ASP 61 7.270 8.753 8.484 497 HA ASP 61 HA ASP 61 8.402 10.659 6.674 498 HB2 ASP 61 HB2 ASP 61 6.073 9.193 6.738 499 HB3 ASP 61 HB3 ASP 61 5.506 10.822 7.091 500 H GLY 62 H GLY 62 7.802 10.835 9.905 501 HA2 GLY 62 HA2 GLY 62 7.868 12.621 11.358 502 HA3 GLY 62 HA3 GLY 62 8.117 13.670 9.970 503 H ILE 63 H ILE 63 5.369 11.550 10.095 504 HA ILE 63 HA ILE 63 3.627 13.900 10.262 505 HB ILE 63 HB ILE 63 3.041 11.082 9.349 506 HG12 ILE 63 HG12 ILE 63 2.854 13.553 7.660 507 HG13 ILE 63 HG13 ILE 63 4.420 12.796 7.927 508 HG21 ILE 63 HG21 ILE 63 1.227 13.490 9.400 509 HG22 ILE 63 HG22 ILE 63 0.842 11.920 8.698 510 HG23 ILE 63 HG23 ILE 63 1.093 12.070 10.437 511 HD11 ILE 63 HD11 ILE 63 3.925 11.574 6.137 512 HD12 ILE 63 HD12 ILE 63 2.854 10.673 7.211 513 HD13 ILE 63 HD13 ILE 63 2.211 11.982 6.219 514 H THR 64 H THR 64 2.416 14.296 11.994 515 HA THR 64 HA THR 64 2.657 12.814 14.370 516 HB THR 64 HB THR 64 0.751 14.982 13.517 517 HG1 THR 64 HG1 THR 64 1.982 16.159 15.029 518 HG21 THR 64 HG21 THR 64 -0.534 13.636 15.039 519 HG22 THR 64 HG22 THR 64 0.020 15.071 15.903 520 HG23 THR 64 HG23 THR 64 0.824 13.522 16.157 521 H VAL 65 H VAL 65 1.651 11.049 15.071 522 HA VAL 65 HA VAL 65 -0.413 9.832 13.458 523 HB VAL 65 HB VAL 65 0.906 8.139 14.205 524 HG11 VAL 65 HG11 VAL 65 1.350 9.814 16.656 525 HG12 VAL 65 HG12 VAL 65 1.872 8.131 16.573 526 HG13 VAL 65 HG13 VAL 65 2.518 9.313 15.434 527 HG21 VAL 65 HG21 VAL 65 -0.642 8.160 16.750 528 HG22 VAL 65 HG22 VAL 65 -1.518 8.043 15.224 529 HG23 VAL 65 HG23 VAL 65 -0.311 6.828 15.642 530 H VAL 66 H VAL 66 -2.417 10.613 13.661 531 HA VAL 66 HA VAL 66 -3.396 11.391 16.312 532 HB VAL 66 HB VAL 66 -4.822 11.795 13.688 533 HG11 VAL 66 HG11 VAL 66 -6.173 13.325 14.832 534 HG12 VAL 66 HG12 VAL 66 -6.002 11.974 15.955 535 HG13 VAL 66 HG13 VAL 66 -5.050 13.441 16.187 536 HG21 VAL 66 HG21 VAL 66 -2.665 12.862 13.486 537 HG22 VAL 66 HG22 VAL 66 -3.907 14.092 13.713 538 HG23 VAL 66 HG23 VAL 66 -2.864 13.635 15.059 539 H ASP 67 H ASP 67 -3.727 9.294 17.144 540 HA ASP 67 HA ASP 67 -5.896 7.771 15.860 541 HB2 ASP 67 HB2 ASP 67 -4.996 5.919 17.462 542 HB3 ASP 67 HB3 ASP 67 -4.119 6.280 15.978 543 H TRP 68 H TRP 68 -7.810 7.952 16.797 544 HA TRP 68 HA TRP 68 -8.000 7.982 19.706 545 HB2 TRP 68 HB2 TRP 68 -9.429 10.057 18.035 546 HB3 TRP 68 HB3 TRP 68 -9.422 9.923 19.792 547 HD1 TRP 68 HD1 TRP 68 -7.870 11.873 17.159 548 HE1 TRP 68 HE1 TRP 68 -5.708 13.010 17.970 549 HE3 TRP 68 HE3 TRP 68 -7.124 9.219 21.464 550 HZ2 TRP 68 HZ2 TRP 68 -3.922 12.808 20.147 551 HZ3 TRP 68 HZ3 TRP 68 -5.164 9.753 22.854 552 HH2 TRP 68 HH2 TRP 68 -3.598 11.510 22.207 553 HA PRO 69 HA PRO 69 -11.369 5.274 18.868 554 HB2 PRO 69 HB2 PRO 69 -12.665 5.457 21.247 555 HB3 PRO 69 HB3 PRO 69 -11.149 4.572 21.045 556 HG2 PRO 69 HG2 PRO 69 -11.605 7.328 22.119 557 HG3 PRO 69 HG3 PRO 69 -10.532 6.054 22.727 558 HD2 PRO 69 HD2 PRO 69 -9.631 8.129 21.240 559 HD3 PRO 69 HD3 PRO 69 -8.895 6.515 21.172 560 H PHE 70 H PHE 70 -11.761 7.724 17.646 561 HA PHE 70 HA PHE 70 -14.423 8.615 18.482 562 HB2 PHE 70 HB2 PHE 70 -12.609 9.816 16.382 563 HB3 PHE 70 HB3 PHE 70 -14.073 10.534 17.045 564 HD1 PHE 70 HD2 PHE 70 -13.036 9.256 19.883 565 HD2 PHE 70 HD1 PHE 70 -11.601 12.051 17.011 566 HE1 PHE 70 HE2 PHE 70 -11.701 10.360 21.629 567 HE2 PHE 70 HE1 PHE 70 -10.262 13.159 18.753 568 HZ PHE 70 HZ PHE 70 -10.312 12.314 21.066 569 H ASP 71 H ASP 71 -13.440 6.152 16.802 570 HA ASP 71 HA ASP 71 -14.660 6.465 14.252 571 HB2 ASP 71 HB2 ASP 71 -13.049 4.772 14.329 572 HB3 ASP 71 HB3 ASP 71 -13.675 4.114 15.838 573 H ASP 72 H ASP 72 -15.675 4.654 17.151 574 HA ASP 72 HA ASP 72 -18.344 5.458 17.076 575 HB2 ASP 72 HB2 ASP 72 -17.676 3.259 15.257 576 HB3 ASP 72 HB3 ASP 72 -18.984 2.874 16.374 577 H GLY 73 H GLY 73 -17.353 5.506 19.276 578 HA2 GLY 73 HA2 GLY 73 -18.495 3.624 20.959 579 HA3 GLY 73 HA3 GLY 73 -16.845 3.086 20.681 580 H ALA 74 H ALA 74 -15.200 4.989 20.904 581 HA ALA 74 HA ALA 74 -14.090 6.294 22.410 582 HB1 ALA 74 HB1 ALA 74 -16.808 7.562 22.315 583 HB2 ALA 74 HB2 ALA 74 -15.506 8.235 23.297 584 HB3 ALA 74 HB3 ALA 74 -15.310 8.092 21.550 585 HA PRO 75 HA PRO 75 -15.489 3.882 26.063 586 HB2 PRO 75 HB2 PRO 75 -12.978 3.180 26.821 587 HB3 PRO 75 HB3 PRO 75 -13.902 2.283 25.610 588 HG2 PRO 75 HG2 PRO 75 -11.757 4.334 25.219 589 HG3 PRO 75 HG3 PRO 75 -12.002 2.796 24.371 590 HD2 PRO 75 HD2 PRO 75 -12.740 5.176 23.312 591 HD3 PRO 75 HD3 PRO 75 -13.625 3.671 22.988 592 HA PRO 76 HA PRO 76 -12.603 7.105 28.352 593 HB2 PRO 76 HB2 PRO 76 -12.152 9.342 26.881 594 HB3 PRO 76 HB3 PRO 76 -11.056 7.954 26.880 595 HG2 PRO 76 HG2 PRO 76 -13.165 8.703 24.892 596 HG3 PRO 76 HG3 PRO 76 -11.520 8.105 24.607 597 HD2 PRO 76 HD2 PRO 76 -13.700 6.506 24.448 598 HD3 PRO 76 HD3 PRO 76 -12.117 5.912 24.988 599 HA PRO 77 HA PRO 77 -16.688 8.925 29.034 600 HB2 PRO 77 HB2 PRO 77 -16.350 9.217 31.712 601 HB3 PRO 77 HB3 PRO 77 -16.803 7.682 30.963 602 HG2 PRO 77 HG2 PRO 77 -14.114 8.619 31.884 603 HG3 PRO 77 HG3 PRO 77 -14.875 7.031 32.088 604 HD2 PRO 77 HD2 PRO 77 -13.013 7.521 30.184 605 HD3 PRO 77 HD3 PRO 77 -14.334 6.358 29.951 606 H GLY 78 H GLY 78 -16.268 10.888 27.955 607 HA2 GLY 78 HA2 GLY 78 -16.007 13.168 27.861 608 HA3 GLY 78 HA3 GLY 78 -16.009 13.157 29.619 609 H LYS 79 H LYS 79 -13.633 11.118 28.402 610 HA LYS 79 HA LYS 79 -11.559 12.986 29.201 611 HB2 LYS 79 HB2 LYS 79 -11.219 10.827 30.072 612 HB3 LYS 79 HB3 LYS 79 -11.604 10.053 28.541 613 HG2 LYS 79 HG2 LYS 79 -9.231 9.910 29.012 614 HG3 LYS 79 HG3 LYS 79 -9.525 10.903 27.583 615 HD2 LYS 79 HD2 LYS 79 -7.877 12.024 28.880 616 HD3 LYS 79 HD3 LYS 79 -9.386 12.917 29.086 617 HE2 LYS 79 HE2 LYS 79 -9.564 12.371 31.275 618 HE3 LYS 79 HE3 LYS 79 -8.873 10.767 31.040 619 HZ1 LYS 79 HZ1 LYS 79 -6.835 12.564 30.541 620 HZ2 LYS 79 HZ2 LYS 79 -7.001 11.556 31.889 621 HZ3 LYS 79 HZ3 LYS 79 -7.607 13.135 31.934 622 H VAL 80 H VAL 80 -12.996 11.817 26.317 623 HA VAL 80 HA VAL 80 -11.001 11.873 24.439 624 HB VAL 80 HB VAL 80 -13.868 12.760 24.266 625 HG11 VAL 80 HG11 VAL 80 -13.227 14.019 22.504 626 HG12 VAL 80 HG12 VAL 80 -11.706 13.150 22.297 627 HG13 VAL 80 HG13 VAL 80 -13.207 12.463 21.675 628 HG21 VAL 80 HG21 VAL 80 -12.373 10.289 23.901 629 HG22 VAL 80 HG22 VAL 80 -14.099 10.539 24.161 630 HG23 VAL 80 HG23 VAL 80 -13.426 10.663 22.536 631 H VAL 81 H VAL 81 -12.569 14.595 26.008 632 HA VAL 81 HA VAL 81 -11.830 16.704 24.408 633 HB VAL 81 HB VAL 81 -11.981 18.135 26.315 634 HG11 VAL 81 HG11 VAL 81 -13.844 15.891 27.013 635 HG12 VAL 81 HG12 VAL 81 -14.133 17.632 27.061 636 HG13 VAL 81 HG13 VAL 81 -14.024 16.796 25.511 637 HG21 VAL 81 HG21 VAL 81 -10.522 17.150 27.882 638 HG22 VAL 81 HG22 VAL 81 -12.117 17.099 28.631 639 HG23 VAL 81 HG23 VAL 81 -11.436 15.643 27.907 640 H GLU 82 H GLU 82 -9.883 15.067 26.876 641 HA GLU 82 HA GLU 82 -7.664 16.717 26.904 642 HB2 GLU 82 HB2 GLU 82 -8.112 13.820 27.427 643 HB3 GLU 82 HB3 GLU 82 -6.451 14.372 27.262 644 HG2 GLU 82 HG2 GLU 82 -8.024 16.074 29.011 645 HG3 GLU 82 HG3 GLU 82 -7.961 14.400 29.560 646 H ASP 83 H ASP 83 -8.220 13.878 24.826 647 HA ASP 83 HA ASP 83 -5.845 14.187 23.323 648 HB2 ASP 83 HB2 ASP 83 -8.373 12.851 22.356 649 HB3 ASP 83 HB3 ASP 83 -6.714 12.501 21.877 650 H TRP 84 H TRP 84 -9.090 15.463 22.974 651 HA TRP 84 HA TRP 84 -9.045 16.335 20.348 652 HB2 TRP 84 HB2 TRP 84 -10.732 16.659 22.538 653 HB3 TRP 84 HB3 TRP 84 -10.262 18.303 22.114 654 HD1 TRP 84 HD1 TRP 84 -12.933 16.033 21.420 655 HE1 TRP 84 HE1 TRP 84 -14.069 16.513 19.161 656 HE3 TRP 84 HE3 TRP 84 -9.349 19.020 19.329 657 HZ2 TRP 84 HZ2 TRP 84 -13.518 17.965 16.804 658 HZ3 TRP 84 HZ3 TRP 84 -9.731 19.914 17.068 659 HH2 TRP 84 HH2 TRP 84 -11.772 19.395 15.833 660 H LEU 85 H LEU 85 -8.406 18.460 23.143 661 HA LEU 85 HA LEU 85 -7.252 20.521 21.629 662 HB2 LEU 85 HB2 LEU 85 -6.778 19.854 24.531 663 HB3 LEU 85 HB3 LEU 85 -6.446 21.400 23.753 664 HG LEU 85 HG LEU 85 -8.428 21.987 24.627 665 HD11 LEU 85 HD11 LEU 85 -8.757 21.661 22.108 666 HD12 LEU 85 HD12 LEU 85 -10.194 21.847 23.112 667 HD13 LEU 85 HD13 LEU 85 -9.712 20.246 22.551 668 HD21 LEU 85 HD21 LEU 85 -9.452 20.577 25.998 669 HD22 LEU 85 HD22 LEU 85 -8.477 19.261 25.342 670 HD23 LEU 85 HD23 LEU 85 -10.049 19.634 24.633 671 H SER 86 H SER 86 -5.829 17.742 23.268 672 HA SER 86 HA SER 86 -3.144 18.395 23.131 673 HB2 SER 86 HB2 SER 86 -4.674 15.842 23.186 674 HB3 SER 86 HB3 SER 86 -2.971 15.753 22.736 675 HG SER 86 HG SER 86 -2.620 15.834 24.801 676 H LEU 87 H LEU 87 -4.943 16.433 20.752 677 HA LEU 87 HA LEU 87 -2.955 16.202 18.847 678 HB2 LEU 87 HB2 LEU 87 -4.749 14.883 18.363 679 HB3 LEU 87 HB3 LEU 87 -5.919 16.127 18.800 680 HG LEU 87 HG LEU 87 -5.347 17.290 16.652 681 HD11 LEU 87 HD11 LEU 87 -3.300 16.536 15.940 682 HD12 LEU 87 HD12 LEU 87 -4.379 15.560 14.945 683 HD13 LEU 87 HD13 LEU 87 -3.637 14.863 16.385 684 HD21 LEU 87 HD21 LEU 87 -6.742 14.709 16.948 685 HD22 LEU 87 HD22 LEU 87 -6.391 15.213 15.294 686 HD23 LEU 87 HD23 LEU 87 -7.333 16.262 16.356 687 H VAL 88 H VAL 88 -5.618 18.580 18.777 688 HA VAL 88 HA VAL 88 -4.771 20.092 16.636 689 HB VAL 88 HB VAL 88 -6.057 21.229 19.120 690 HG11 VAL 88 HG11 VAL 88 -5.127 22.686 17.153 691 HG12 VAL 88 HG12 VAL 88 -6.598 22.153 16.337 692 HG13 VAL 88 HG13 VAL 88 -6.704 23.038 17.859 693 HG21 VAL 88 HG21 VAL 88 -7.018 19.182 17.449 694 HG22 VAL 88 HG22 VAL 88 -7.904 20.072 18.688 695 HG23 VAL 88 HG23 VAL 88 -7.912 20.641 17.019 696 H LYS 89 H LYS 89 -4.204 20.961 20.053 697 HA LYS 89 HA LYS 89 -2.468 23.059 19.656 698 HB2 LYS 89 HB2 LYS 89 -2.698 21.036 21.867 699 HB3 LYS 89 HB3 LYS 89 -1.471 22.295 21.923 700 HG2 LYS 89 HG2 LYS 89 -3.235 23.998 21.762 701 HG3 LYS 89 HG3 LYS 89 -4.449 22.716 21.768 702 HD2 LYS 89 HD2 LYS 89 -4.314 23.523 23.993 703 HD3 LYS 89 HD3 LYS 89 -3.476 21.969 23.975 704 HE2 LYS 89 HE2 LYS 89 -2.244 23.662 25.253 705 HE3 LYS 89 HE3 LYS 89 -1.332 23.103 23.852 706 HZ1 LYS 89 HZ1 LYS 89 -1.568 25.092 22.786 707 HZ2 LYS 89 HZ2 LYS 89 -1.531 25.633 24.388 708 HZ3 LYS 89 HZ3 LYS 89 -3.009 25.493 23.577 709 H ALA 90 H ALA 90 -1.910 19.705 19.148 710 HA ALA 90 HA ALA 90 0.983 19.956 19.185 711 HB1 ALA 90 HB1 ALA 90 -0.678 17.588 18.341 712 HB2 ALA 90 HB2 ALA 90 1.038 17.600 18.748 713 HB3 ALA 90 HB3 ALA 90 -0.167 17.906 19.999 714 H LYS 91 H LYS 91 -1.334 18.751 16.750 715 HA LYS 91 HA LYS 91 0.318 18.800 14.556 716 HB2 LYS 91 HB2 LYS 91 -1.876 19.294 13.263 717 HB3 LYS 91 HB3 LYS 91 -1.751 17.804 14.189 718 HG2 LYS 91 HG2 LYS 91 -3.611 18.352 15.248 719 HG3 LYS 91 HG3 LYS 91 -2.775 19.739 15.948 720 HD2 LYS 91 HD2 LYS 91 -3.780 20.013 13.170 721 HD3 LYS 91 HD3 LYS 91 -4.978 19.989 14.467 722 HE2 LYS 91 HE2 LYS 91 -3.184 21.707 15.508 723 HE3 LYS 91 HE3 LYS 91 -2.945 22.019 13.790 724 HZ1 LYS 91 HZ1 LYS 91 -4.832 23.184 15.285 725 HZ2 LYS 91 HZ2 LYS 91 -5.709 21.892 14.636 726 HZ3 LYS 91 HZ3 LYS 91 -4.940 22.993 13.607 727 H PHE 92 H PHE 92 -1.419 21.470 16.039 728 HA PHE 92 HA PHE 92 -0.712 23.327 13.946 729 HB2 PHE 92 HB2 PHE 92 -2.719 23.962 14.888 730 HB3 PHE 92 HB3 PHE 92 -2.236 23.472 16.508 731 HD1 PHE 92 HD1 PHE 92 -2.095 26.130 14.000 732 HD2 PHE 92 HD2 PHE 92 -1.009 24.964 17.947 733 HE1 PHE 92 HE1 PHE 92 -1.568 28.472 14.543 734 HE2 PHE 92 HE2 PHE 92 -0.482 27.303 18.497 735 HZ PHE 92 HZ PHE 92 -0.761 29.061 16.794 736 H CYS 93 H CYS 93 0.637 22.219 16.918 737 HA CYS 93 HA CYS 93 2.402 24.502 17.216 738 HB2 CYS 93 HB2 CYS 93 1.637 23.550 19.265 739 HB3 CYS 93 HB3 CYS 93 2.080 21.926 18.753 740 HG CYS 93 HG CYS 93 3.738 23.492 20.786 741 H GLU 94 H GLU 94 2.419 21.391 15.739 742 HA GLU 94 HA GLU 94 5.321 21.290 15.551 743 HB2 GLU 94 HB2 GLU 94 4.972 19.146 14.424 744 HB3 GLU 94 HB3 GLU 94 4.102 19.207 15.950 745 HG2 GLU 94 HG2 GLU 94 2.193 18.762 14.934 746 HG3 GLU 94 HG3 GLU 94 2.401 20.139 13.853 747 H ALA 95 H ALA 95 2.627 22.379 13.726 748 HA ALA 95 HA ALA 95 4.422 23.093 11.524 749 HB1 ALA 95 HB1 ALA 95 2.493 22.519 9.939 750 HB2 ALA 95 HB2 ALA 95 3.453 21.187 10.585 751 HB3 ALA 95 HB3 ALA 95 1.866 21.544 11.269 752 HA PRO 96 HA PRO 96 2.433 27.004 11.659 753 HB2 PRO 96 HB2 PRO 96 2.509 27.750 9.050 754 HB3 PRO 96 HB3 PRO 96 3.946 27.704 10.079 755 HG2 PRO 96 HG2 PRO 96 2.984 25.696 8.078 756 HG3 PRO 96 HG3 PRO 96 4.630 26.291 8.363 757 HD2 PRO 96 HD2 PRO 96 3.755 23.912 9.316 758 HD3 PRO 96 HD3 PRO 96 4.953 24.902 10.174 759 H GLY 97 H GLY 97 1.352 26.521 8.410 760 HA2 GLY 97 HA2 GLY 97 -1.428 26.545 9.376 761 HA3 GLY 97 HA3 GLY 97 -0.893 27.101 7.797 762 H SER 98 H SER 98 0.333 24.120 9.073 763 HA SER 98 HA SER 98 -0.420 22.617 6.839 764 HB2 SER 98 HB2 SER 98 0.482 21.859 9.609 765 HB3 SER 98 HB3 SER 98 0.051 20.627 8.423 766 HG SER 98 HG SER 98 1.864 22.673 7.754 767 H CYS 99 H CYS 99 -1.554 20.286 7.641 768 HA CYS 99 HA CYS 99 -4.183 21.041 8.723 769 HB2 CYS 99 HB2 CYS 99 -3.686 19.303 6.297 770 HB3 CYS 99 HB3 CYS 99 -5.256 19.586 7.037 771 HG CYS 99 HG CYS 99 -5.598 21.276 5.067 772 H VAL 100 H VAL 100 -5.466 19.157 9.452 773 HA VAL 100 HA VAL 100 -3.707 17.027 10.483 774 HB VAL 100 HB VAL 100 -6.050 17.122 12.053 775 HG11 VAL 100 HG11 VAL 100 -3.854 16.398 12.807 776 HG12 VAL 100 HG12 VAL 100 -3.239 18.045 12.647 777 HG13 VAL 100 HG13 VAL 100 -4.476 17.677 13.850 778 HG21 VAL 100 HG21 VAL 100 -4.817 19.848 11.667 779 HG22 VAL 100 HG22 VAL 100 -6.467 19.375 11.262 780 HG23 VAL 100 HG23 VAL 100 -5.951 19.418 12.948 781 H ALA 101 H ALA 101 -4.055 15.217 9.376 782 HA ALA 101 HA ALA 101 -6.578 14.661 8.104 783 HB1 ALA 101 HB1 ALA 101 -4.056 14.002 7.468 784 HB2 ALA 101 HB2 ALA 101 -4.552 12.523 8.291 785 HB3 ALA 101 HB3 ALA 101 -5.466 13.106 6.900 786 H VAL 102 H VAL 102 -8.244 13.660 9.008 787 HA VAL 102 HA VAL 102 -7.748 11.740 11.180 788 HB VAL 102 HB VAL 102 -9.650 12.552 12.433 789 HG11 VAL 102 HG11 VAL 102 -7.310 13.638 12.574 790 HG12 VAL 102 HG12 VAL 102 -8.084 15.025 11.806 791 HG13 VAL 102 HG13 VAL 102 -8.668 14.439 13.363 792 HG21 VAL 102 HG21 VAL 102 -10.827 14.615 11.772 793 HG22 VAL 102 HG22 VAL 102 -9.926 14.623 10.255 794 HG23 VAL 102 HG23 VAL 102 -11.051 13.310 10.606 795 H HIS 103 H HIS 103 -9.252 10.053 11.363 796 HA HIS 103 HA HIS 103 -10.661 9.469 8.883 797 HB2 HIS 103 HB2 HIS 103 -9.245 7.716 9.788 798 HB3 HIS 103 HB3 HIS 103 -10.107 7.769 11.323 799 HD1 HIS 103 HD1 HIS 103 -12.717 7.029 11.156 800 HD2 HIS 103 HD2 HIS 103 -10.251 5.936 7.996 801 HE1 HIS 103 HE1 HIS 103 -13.946 5.199 9.945 802 H CYS 104 H CYS 104 -12.854 8.963 8.753 803 HA CYS 104 HA CYS 104 -14.521 9.287 11.111 804 HB2 CYS 104 HB2 CYS 104 -14.055 11.554 9.802 805 HB3 CYS 104 HB3 CYS 104 -15.324 10.930 8.754 806 HG CYS 104 HG CYS 104 -16.338 12.809 10.637 807 H VAL 105 H VAL 105 -16.193 7.925 11.055 808 HA VAL 105 HA VAL 105 -16.518 6.077 8.954 809 HB VAL 105 HB VAL 105 -17.205 5.267 11.023 810 HG11 VAL 105 HG11 VAL 105 -18.063 7.986 11.450 811 HG12 VAL 105 HG12 VAL 105 -19.300 6.842 11.976 812 HG13 VAL 105 HG13 VAL 105 -17.664 6.736 12.628 813 HG21 VAL 105 HG21 VAL 105 -19.962 5.941 10.230 814 HG22 VAL 105 HG22 VAL 105 -18.961 5.208 8.977 815 HG23 VAL 105 HG23 VAL 105 -19.212 4.369 10.508 816 H ALA 106 H ALA 106 -19.314 7.859 10.130 817 HA ALA 106 HA ALA 106 -19.998 8.492 7.334 818 HB1 ALA 106 HB1 ALA 106 -21.443 7.027 9.200 819 HB2 ALA 106 HB2 ALA 106 -22.239 8.601 9.157 820 HB3 ALA 106 HB3 ALA 106 -22.039 7.673 7.671 821 H GLY 107 H GLY 107 -19.707 9.727 10.588 822 HA2 GLY 107 HA2 GLY 107 -19.029 12.136 10.617 823 HA3 GLY 107 HA3 GLY 107 -20.419 12.412 9.577 824 H LEU 108 H LEU 108 -22.422 12.638 10.464 825 HA LEU 108 HA LEU 108 -23.630 13.596 12.246 826 HB2 LEU 108 HB2 LEU 108 -23.472 10.637 12.799 827 HB3 LEU 108 HB3 LEU 108 -24.698 11.727 13.444 828 HG LEU 108 HG LEU 108 -24.328 11.317 10.489 829 HD11 LEU 108 HD11 LEU 108 -24.720 9.129 11.494 830 HD12 LEU 108 HD12 LEU 108 -26.126 9.673 10.579 831 HD13 LEU 108 HD13 LEU 108 -26.131 9.764 12.340 832 HD21 LEU 108 HD21 LEU 108 -26.063 12.882 12.188 833 HD22 LEU 108 HD22 LEU 108 -26.987 11.797 11.148 834 HD23 LEU 108 HD23 LEU 108 -25.846 12.941 10.438 835 H GLY 109 H GLY 109 -23.874 12.133 14.816 836 HA2 GLY 109 HA2 GLY 109 -22.976 13.323 16.802 837 HA3 GLY 109 HA3 GLY 109 -22.317 11.699 16.675 838 H ARG 110 H ARG 110 -20.171 11.406 16.136 839 HA ARG 110 HA ARG 110 -18.209 12.906 17.040 840 HB2 ARG 110 HB2 ARG 110 -18.098 11.615 14.307 841 HB3 ARG 110 HB3 ARG 110 -16.705 12.070 15.280 842 HG2 ARG 110 HG2 ARG 110 -16.762 10.126 16.331 843 HG3 ARG 110 HG3 ARG 110 -18.428 10.415 16.839 844 HD2 ARG 110 HD2 ARG 110 -17.882 9.517 14.047 845 HD3 ARG 110 HD3 ARG 110 -17.822 8.340 15.358 846 HE ARG 110 HE ARG 110 -20.160 9.577 14.250 847 HH11 ARG 110 HH11 ARG 110 -18.800 8.079 17.083 848 HH12 ARG 110 HH12 ARG 110 -20.335 7.591 17.721 849 HH21 ARG 110 HH21 ARG 110 -22.187 8.940 15.080 850 HH22 ARG 110 HH22 ARG 110 -22.261 8.080 16.581 851 H ALA 111 H ALA 111 -19.390 13.382 13.707 852 HA ALA 111 HA ALA 111 -17.940 15.456 12.822 853 HB1 ALA 111 HB1 ALA 111 -20.336 16.351 12.001 854 HB2 ALA 111 HB2 ALA 111 -19.514 14.967 11.279 855 HB3 ALA 111 HB3 ALA 111 -20.774 14.712 12.485 856 HA PRO 112 HA PRO 112 -20.351 18.975 14.948 857 HB2 PRO 112 HB2 PRO 112 -22.655 18.396 16.262 858 HB3 PRO 112 HB3 PRO 112 -22.597 18.735 14.528 859 HG2 PRO 112 HG2 PRO 112 -22.712 16.097 15.940 860 HG3 PRO 112 HG3 PRO 112 -23.593 16.633 14.498 861 HD2 PRO 112 HD2 PRO 112 -21.397 15.056 14.361 862 HD3 PRO 112 HD3 PRO 112 -21.800 16.243 13.103 863 H VAL 113 H VAL 113 -20.868 15.996 16.831 864 HA VAL 113 HA VAL 113 -20.634 17.012 19.385 865 HB VAL 113 HB VAL 113 -19.940 14.347 18.208 866 HG11 VAL 113 HG11 VAL 113 -18.268 14.515 19.873 867 HG12 VAL 113 HG12 VAL 113 -19.382 15.260 21.020 868 HG13 VAL 113 HG13 VAL 113 -19.571 13.562 20.582 869 HG21 VAL 113 HG21 VAL 113 -22.055 15.465 20.007 870 HG22 VAL 113 HG22 VAL 113 -22.234 14.558 18.506 871 HG23 VAL 113 HG23 VAL 113 -21.724 13.733 19.979 872 H LEU 114 H LEU 114 -17.992 15.599 17.444 873 HA LEU 114 HA LEU 114 -15.925 16.231 19.219 874 HB2 LEU 114 HB2 LEU 114 -15.943 15.813 16.241 875 HB3 LEU 114 HB3 LEU 114 -14.462 16.057 17.164 876 HG LEU 114 HG LEU 114 -16.378 13.739 17.343 877 HD11 LEU 114 HD11 LEU 114 -14.460 14.035 15.559 878 HD12 LEU 114 HD12 LEU 114 -14.767 12.480 16.331 879 HD13 LEU 114 HD13 LEU 114 -13.449 13.502 16.902 880 HD21 LEU 114 HD21 LEU 114 -15.707 14.289 19.589 881 HD22 LEU 114 HD22 LEU 114 -14.019 14.418 19.095 882 HD23 LEU 114 HD23 LEU 114 -14.831 12.852 19.061 883 H VAL 115 H VAL 115 -16.696 17.891 16.153 884 HA VAL 115 HA VAL 115 -15.018 20.055 16.415 885 HB VAL 115 HB VAL 115 -16.460 21.269 14.900 886 HG11 VAL 115 HG11 VAL 115 -15.512 19.895 13.420 887 HG12 VAL 115 HG12 VAL 115 -15.704 18.495 14.478 888 HG13 VAL 115 HG13 VAL 115 -17.033 19.002 13.433 889 HG21 VAL 115 HG21 VAL 115 -18.528 19.204 15.631 890 HG22 VAL 115 HG22 VAL 115 -18.607 20.945 15.897 891 HG23 VAL 115 HG23 VAL 115 -18.676 20.300 14.257 892 H ALA 116 H ALA 116 -18.124 19.503 17.940 893 HA ALA 116 HA ALA 116 -18.601 22.123 18.859 894 HB1 ALA 116 HB1 ALA 116 -19.592 19.417 19.596 895 HB2 ALA 116 HB2 ALA 116 -19.914 20.761 20.691 896 HB3 ALA 116 HB3 ALA 116 -20.479 20.829 19.022 897 H LEU 117 H LEU 117 -16.904 19.377 20.319 898 HA LEU 117 HA LEU 117 -16.422 20.529 22.830 899 HB2 LEU 117 HB2 LEU 117 -16.116 18.117 22.130 900 HB3 LEU 117 HB3 LEU 117 -14.584 18.614 21.413 901 HG LEU 117 HG LEU 117 -14.436 17.538 23.682 902 HD11 LEU 117 HD11 LEU 117 -13.385 20.347 23.723 903 HD12 LEU 117 HD12 LEU 117 -12.751 19.134 22.611 904 HD13 LEU 117 HD13 LEU 117 -12.642 18.876 24.352 905 HD21 LEU 117 HD21 LEU 117 -16.487 19.223 24.334 906 HD22 LEU 117 HD22 LEU 117 -15.094 20.046 25.036 907 HD23 LEU 117 HD23 LEU 117 -15.455 18.380 25.489 908 H ALA 118 H ALA 118 -14.357 20.411 19.932 909 HA ALA 118 HA ALA 118 -12.284 21.995 21.054 910 HB1 ALA 118 HB1 ALA 118 -12.342 22.176 18.192 911 HB2 ALA 118 HB2 ALA 118 -11.199 21.331 19.236 912 HB3 ALA 118 HB3 ALA 118 -12.670 20.520 18.701 913 H LEU 119 H LEU 119 -15.139 22.720 19.125 914 HA LEU 119 HA LEU 119 -14.557 25.360 18.432 915 HB2 LEU 119 HB2 LEU 119 -16.390 24.353 17.375 916 HB3 LEU 119 HB3 LEU 119 -17.128 23.891 18.908 917 HG LEU 119 HG LEU 119 -17.779 26.168 19.339 918 HD11 LEU 119 HD11 LEU 119 -16.201 26.793 16.856 919 HD12 LEU 119 HD12 LEU 119 -15.962 27.422 18.486 920 HD13 LEU 119 HD13 LEU 119 -17.382 27.901 17.556 921 HD21 LEU 119 HD21 LEU 119 -18.453 25.585 16.465 922 HD22 LEU 119 HD22 LEU 119 -19.429 26.440 17.660 923 HD23 LEU 119 HD23 LEU 119 -19.158 24.704 17.820 924 H ILE 120 H ILE 120 -16.226 24.078 21.294 925 HA ILE 120 HA ILE 120 -16.737 26.586 22.488 926 HB ILE 120 HB ILE 120 -16.814 23.764 23.384 927 HG12 ILE 120 HG12 ILE 120 -19.051 24.397 24.093 928 HG13 ILE 120 HG13 ILE 120 -18.688 26.099 23.825 929 HG21 ILE 120 HG21 ILE 120 -17.260 24.567 25.746 930 HG22 ILE 120 HG22 ILE 120 -15.578 24.573 25.220 931 HG23 ILE 120 HG23 ILE 120 -16.491 26.081 25.271 932 HD11 ILE 120 HD11 ILE 120 -18.307 24.365 21.491 933 HD12 ILE 120 HD12 ILE 120 -19.969 24.516 22.062 934 HD13 ILE 120 HD13 ILE 120 -19.053 25.957 21.621 935 H GLU 121 H GLU 121 -14.143 24.207 22.994 936 HA GLU 121 HA GLU 121 -12.786 25.624 25.006 937 HB2 GLU 121 HB2 GLU 121 -11.614 23.720 22.971 938 HB3 GLU 121 HB3 GLU 121 -10.884 24.183 24.502 939 HG2 GLU 121 HG2 GLU 121 -13.589 22.944 24.513 940 HG3 GLU 121 HG3 GLU 121 -12.175 21.924 24.251 941 H SER 122 H SER 122 -13.083 26.221 21.670 942 HA SER 122 HA SER 122 -10.588 27.603 21.325 943 HB2 SER 122 HB2 SER 122 -11.136 27.648 19.130 944 HB3 SER 122 HB3 SER 122 -12.420 26.531 19.592 945 HG SER 122 HG SER 122 -13.221 28.317 18.405 946 H GLY 123 H GLY 123 -13.708 28.391 22.537 947 HA2 GLY 123 HA2 GLY 123 -13.619 30.491 23.919 948 HA3 GLY 123 HA3 GLY 123 -13.019 31.264 22.460 949 H MET 124 H MET 124 -15.394 28.848 21.984 950 HA MET 124 HA MET 124 -17.343 30.930 21.308 951 HB2 MET 124 HB2 MET 124 -16.491 28.695 19.919 952 HB3 MET 124 HB3 MET 124 -18.043 28.192 20.574 953 HG2 MET 124 HG2 MET 124 -18.643 29.085 18.546 954 HG3 MET 124 HG3 MET 124 -18.893 30.447 19.635 955 HE1 MET 124 HE1 MET 124 -18.430 32.675 18.611 956 HE2 MET 124 HE2 MET 124 -17.222 32.468 19.879 957 HE3 MET 124 HE3 MET 124 -16.758 33.158 18.323 958 H LYS 125 H LYS 125 -19.547 30.726 21.925 959 HA LYS 125 HA LYS 125 -19.893 29.783 24.601 960 HB2 LYS 125 HB2 LYS 125 -22.366 30.419 23.212 961 HB3 LYS 125 HB3 LYS 125 -21.643 31.184 24.621 962 HG2 LYS 125 HG2 LYS 125 -20.063 32.309 22.924 963 HG3 LYS 125 HG3 LYS 125 -21.268 31.830 21.725 964 HD2 LYS 125 HD2 LYS 125 -22.536 33.568 22.282 965 HD3 LYS 125 HD3 LYS 125 -22.610 33.000 23.952 966 HE2 LYS 125 HE2 LYS 125 -21.565 34.936 24.410 967 HE3 LYS 125 HE3 LYS 125 -20.122 34.072 23.882 968 HZ1 LYS 125 HZ1 LYS 125 -20.660 34.941 21.592 969 HZ2 LYS 125 HZ2 LYS 125 -20.129 36.089 22.714 970 HZ3 LYS 125 HZ3 LYS 125 -21.773 35.979 22.333 971 H TYR 126 H TYR 126 -20.766 27.933 25.319 972 HA TYR 126 HA TYR 126 -20.975 25.666 23.773 973 HB2 TYR 126 HB2 TYR 126 -21.023 24.936 25.899 974 HB3 TYR 126 HB3 TYR 126 -21.725 26.440 26.485 975 HD1 TYR 126 HD2 TYR 126 -22.673 23.329 24.653 976 HD2 TYR 126 HD1 TYR 126 -23.895 26.428 27.301 977 HE1 TYR 126 HE2 TYR 126 -24.825 22.186 24.989 978 HE2 TYR 126 HE1 TYR 126 -26.050 25.292 27.645 979 HH TYR 126 HH TYR 126 -26.624 22.086 26.599 980 H GLU 127 H GLU 127 -23.627 27.784 24.845 981 HA GLU 127 HA GLU 127 -25.707 26.383 23.596 982 HB2 GLU 127 HB2 GLU 127 -25.535 29.350 24.154 983 HB3 GLU 127 HB3 GLU 127 -27.008 28.446 23.832 984 HG2 GLU 127 HG2 GLU 127 -26.910 27.328 25.880 985 HG3 GLU 127 HG3 GLU 127 -25.217 27.751 26.130 986 H ASP 128 H ASP 128 -24.026 29.327 22.485 987 HA ASP 128 HA ASP 128 -25.228 29.624 20.030 988 HB2 ASP 128 HB2 ASP 128 -23.052 30.764 21.344 989 HB3 ASP 128 HB3 ASP 128 -22.370 30.128 19.850 990 H ALA 129 H ALA 129 -22.214 27.828 20.674 991 HA ALA 129 HA ALA 129 -21.790 26.840 18.118 992 HB1 ALA 129 HB1 ALA 129 -20.532 24.999 19.254 993 HB2 ALA 129 HB2 ALA 129 -20.082 26.626 19.767 994 HB3 ALA 129 HB3 ALA 129 -21.116 25.632 20.793 995 H ILE 130 H ILE 130 -23.584 25.325 20.794 996 HA ILE 130 HA ILE 130 -24.298 22.958 19.545 997 HB ILE 130 HB ILE 130 -25.788 24.594 21.590 998 HG12 ILE 130 HG12 ILE 130 -24.255 23.702 22.959 999 HG13 ILE 130 HG13 ILE 130 -24.961 22.125 22.626 1000 HG21 ILE 130 HG21 ILE 130 -27.062 22.447 21.998 1001 HG22 ILE 130 HG22 ILE 130 -27.486 23.338 20.538 1002 HG23 ILE 130 HG23 ILE 130 -26.465 21.905 20.430 1003 HD11 ILE 130 HD11 ILE 130 -22.663 23.414 21.176 1004 HD12 ILE 130 HD12 ILE 130 -22.595 22.031 22.269 1005 HD13 ILE 130 HD13 ILE 130 -23.415 21.887 20.715 1006 H GLN 131 H GLN 131 -26.269 25.927 19.746 1007 HA GLN 131 HA GLN 131 -28.384 25.149 18.169 1008 HB2 GLN 131 HB2 GLN 131 -27.091 27.825 18.606 1009 HB3 GLN 131 HB3 GLN 131 -28.474 27.657 17.533 1010 HG2 GLN 131 HG2 GLN 131 -28.570 28.118 20.234 1011 HG3 GLN 131 HG3 GLN 131 -29.902 27.548 19.229 1012 HE21 GLN 131 HE21 GLN 131 -27.600 26.741 21.653 1013 HE22 GLN 131 HE22 GLN 131 -28.177 25.146 21.980 1014 H PHE 132 H PHE 132 -25.195 26.220 17.183 1015 HA PHE 132 HA PHE 132 -25.761 26.605 14.442 1016 HB2 PHE 132 HB2 PHE 132 -23.718 27.428 15.667 1017 HB3 PHE 132 HB3 PHE 132 -23.110 25.776 15.632 1018 HD1 PHE 132 HD1 PHE 132 -24.935 27.592 12.963 1019 HD2 PHE 132 HD2 PHE 132 -21.231 25.947 14.264 1020 HE1 PHE 132 HE1 PHE 132 -23.975 27.998 10.734 1021 HE2 PHE 132 HE2 PHE 132 -20.265 26.352 12.038 1022 HZ PHE 132 HZ PHE 132 -21.637 27.379 10.270 1023 H ILE 133 H ILE 133 -23.848 23.959 15.875 1024 HA ILE 133 HA ILE 133 -24.050 22.284 13.623 1025 HB ILE 133 HB ILE 133 -23.352 20.454 15.217 1026 HG12 ILE 133 HG12 ILE 133 -22.862 22.586 17.254 1027 HG13 ILE 133 HG13 ILE 133 -24.460 21.854 17.168 1028 HG21 ILE 133 HG21 ILE 133 -21.106 21.346 15.517 1029 HG22 ILE 133 HG22 ILE 133 -21.749 21.790 13.937 1030 HG23 ILE 133 HG23 ILE 133 -21.706 22.980 15.237 1031 HD11 ILE 133 HD11 ILE 133 -23.674 19.771 17.799 1032 HD12 ILE 133 HD12 ILE 133 -22.012 20.152 17.350 1033 HD13 ILE 133 HD13 ILE 133 -22.725 20.878 18.790 1034 H ARG 134 H ARG 134 -26.268 22.978 16.127 1035 HA ARG 134 HA ARG 134 -27.743 20.501 15.890 1036 HB2 ARG 134 HB2 ARG 134 -27.608 21.751 18.033 1037 HB3 ARG 134 HB3 ARG 134 -28.510 23.066 17.293 1038 HG2 ARG 134 HG2 ARG 134 -30.468 22.030 17.563 1039 HG3 ARG 134 HG3 ARG 134 -29.819 20.471 17.049 1040 HD2 ARG 134 HD2 ARG 134 -30.308 20.032 19.249 1041 HD3 ARG 134 HD3 ARG 134 -28.627 20.545 19.379 1042 HE ARG 134 HE ARG 134 -29.316 22.385 20.553 1043 HH11 ARG 134 HH11 ARG 134 -32.059 20.956 18.955 1044 HH12 ARG 134 HH12 ARG 134 -33.216 21.972 19.750 1045 HH21 ARG 134 HH21 ARG 134 -30.829 23.727 21.607 1046 HH22 ARG 134 HH22 ARG 134 -32.515 23.548 21.258 1047 H GLN 135 H GLN 135 -27.870 23.744 14.604 1048 HA GLN 135 HA GLN 135 -30.508 23.400 13.472 1049 HB2 GLN 135 HB2 GLN 135 -30.279 25.627 12.646 1050 HB3 GLN 135 HB3 GLN 135 -29.619 25.608 14.276 1051 HG2 GLN 135 HG2 GLN 135 -27.616 26.256 13.576 1052 HG3 GLN 135 HG3 GLN 135 -27.594 25.055 12.285 1053 HE21 GLN 135 HE21 GLN 135 -29.533 25.734 10.634 1054 HE22 GLN 135 HE22 GLN 135 -29.316 27.329 10.005 1055 H LYS 136 H LYS 136 -27.270 22.761 12.564 1056 HA LYS 136 HA LYS 136 -28.072 22.418 9.751 1057 HB2 LYS 136 HB2 LYS 136 -25.753 22.623 9.145 1058 HB3 LYS 136 HB3 LYS 136 -26.177 23.980 10.181 1059 HG2 LYS 136 HG2 LYS 136 -24.783 23.334 11.827 1060 HG3 LYS 136 HG3 LYS 136 -25.082 21.616 11.555 1061 HD2 LYS 136 HD2 LYS 136 -22.833 21.963 10.945 1062 HD3 LYS 136 HD3 LYS 136 -23.721 21.874 9.422 1063 HE2 LYS 136 HE2 LYS 136 -23.822 24.551 10.039 1064 HE3 LYS 136 HE3 LYS 136 -22.216 24.083 10.594 1065 HZ1 LYS 136 HZ1 LYS 136 -21.497 23.915 8.514 1066 HZ2 LYS 136 HZ2 LYS 136 -22.926 24.677 8.026 1067 HZ3 LYS 136 HZ3 LYS 136 -22.827 22.988 8.029 1068 H ARG 137 H ARG 137 -28.724 20.522 11.796 1069 HA ARG 137 HA ARG 137 -27.945 18.139 10.539 1070 HB2 ARG 137 HB2 ARG 137 -26.012 19.123 12.363 1071 HB3 ARG 137 HB3 ARG 137 -26.780 17.736 13.124 1072 HG2 ARG 137 HG2 ARG 137 -25.956 16.264 11.600 1073 HG3 ARG 137 HG3 ARG 137 -25.930 17.456 10.299 1074 HD2 ARG 137 HD2 ARG 137 -24.051 18.583 11.618 1075 HD3 ARG 137 HD3 ARG 137 -23.969 17.084 12.542 1076 HE ARG 137 HE ARG 137 -22.971 16.067 10.746 1077 HH11 ARG 137 HH11 ARG 137 -24.366 19.090 9.731 1078 HH12 ARG 137 HH12 ARG 137 -23.639 19.047 8.158 1079 HH21 ARG 137 HH21 ARG 137 -22.009 15.998 8.680 1080 HH22 ARG 137 HH22 ARG 137 -22.299 17.287 7.561 1081 H ARG 138 H ARG 138 -29.072 19.731 13.455 1082 HA ARG 138 HA ARG 138 -30.860 19.324 14.805 1083 HB2 ARG 138 HB2 ARG 138 -31.635 18.320 12.324 1084 HB3 ARG 138 HB3 ARG 138 -31.980 17.013 13.448 1085 HG2 ARG 138 HG2 ARG 138 -33.952 18.242 13.379 1086 HG3 ARG 138 HG3 ARG 138 -33.162 18.788 14.860 1087 HD2 ARG 138 HD2 ARG 138 -32.138 20.554 13.111 1088 HD3 ARG 138 HD3 ARG 138 -33.691 20.234 12.340 1089 HE ARG 138 HE ARG 138 -34.232 20.708 15.007 1090 HH11 ARG 138 HH11 ARG 138 -32.815 22.440 12.340 1091 HH12 ARG 138 HH12 ARG 138 -33.313 23.996 12.916 1092 HH21 ARG 138 HH21 ARG 138 -34.894 22.751 15.775 1093 HH22 ARG 138 HH22 ARG 138 -34.495 24.172 14.871 1094 H GLY 139 H GLY 139 -30.759 18.349 16.722 1095 HA2 GLY 139 HA2 GLY 139 -30.109 16.869 18.356 1096 HA3 GLY 139 HA3 GLY 139 -30.728 15.647 17.255 1097 H ALA 140 H ALA 140 -27.932 17.795 16.877 1098 HA ALA 140 HA ALA 140 -26.284 15.529 16.156 1099 HB1 ALA 140 HB1 ALA 140 -25.460 17.121 14.833 1100 HB2 ALA 140 HB2 ALA 140 -26.188 18.408 15.796 1101 HB3 ALA 140 HB3 ALA 140 -24.626 17.735 16.261 1102 H ILE 141 H ILE 141 -25.818 18.222 18.456 1103 HA ILE 141 HA ILE 141 -24.068 16.509 20.048 1104 HB ILE 141 HB ILE 141 -23.291 18.782 19.490 1105 HG12 ILE 141 HG12 ILE 141 -23.160 19.462 22.119 1106 HG13 ILE 141 HG13 ILE 141 -23.615 17.766 22.245 1107 HG21 ILE 141 HG21 ILE 141 -24.708 20.391 21.283 1108 HG22 ILE 141 HG22 ILE 141 -24.751 20.455 19.522 1109 HG23 ILE 141 HG23 ILE 141 -25.930 19.479 20.397 1110 HD11 ILE 141 HD11 ILE 141 -21.144 18.302 22.280 1111 HD12 ILE 141 HD12 ILE 141 -21.669 17.057 21.147 1112 HD13 ILE 141 HD13 ILE 141 -21.307 18.682 20.566 1113 H ASN 142 H ASN 142 -27.275 17.063 19.902 1114 HA ASN 142 HA ASN 142 -28.087 17.666 22.499 1115 HB2 ASN 142 HB2 ASN 142 -29.395 17.173 20.190 1116 HB3 ASN 142 HB3 ASN 142 -29.692 15.653 21.029 1117 HD21 ASN 142 HD21 ASN 142 -31.074 18.449 20.383 1118 HD22 ASN 142 HD22 ASN 142 -32.004 18.704 21.816 1119 H SER 143 H SER 143 -29.086 16.177 24.079 1120 HA SER 143 HA SER 143 -29.208 14.198 25.278 1121 HB2 SER 143 HB2 SER 143 -28.563 13.128 22.938 1122 HB3 SER 143 HB3 SER 143 -27.000 12.917 23.726 1123 HG SER 143 HG SER 143 -29.497 12.008 24.730 1124 H LYS 144 H LYS 144 -26.869 12.567 25.850 1125 HA LYS 144 HA LYS 144 -25.813 13.741 28.043 1126 HB2 LYS 144 HB2 LYS 144 -24.201 12.019 26.154 1127 HB3 LYS 144 HB3 LYS 144 -23.921 12.233 27.877 1128 HG2 LYS 144 HG2 LYS 144 -25.124 10.391 28.167 1129 HG3 LYS 144 HG3 LYS 144 -26.537 11.364 27.752 1130 HD2 LYS 144 HD2 LYS 144 -26.365 10.719 25.439 1131 HD3 LYS 144 HD3 LYS 144 -24.844 9.877 25.746 1132 HE2 LYS 144 HE2 LYS 144 -25.916 8.192 26.999 1133 HE3 LYS 144 HE3 LYS 144 -27.400 9.132 27.141 1134 HZ1 LYS 144 HZ1 LYS 144 -26.518 8.464 24.445 1135 HZ2 LYS 144 HZ2 LYS 144 -28.082 8.539 25.084 1136 HZ3 LYS 144 HZ3 LYS 144 -27.110 7.188 25.385 1137 H GLN 145 H GLN 145 -24.354 13.916 24.797 1138 HA GLN 145 HA GLN 145 -22.140 15.424 25.297 1139 HB2 GLN 145 HB2 GLN 145 -23.962 15.944 22.949 1140 HB3 GLN 145 HB3 GLN 145 -22.220 16.172 23.024 1141 HG2 GLN 145 HG2 GLN 145 -23.736 13.579 22.992 1142 HG3 GLN 145 HG3 GLN 145 -22.631 14.206 21.769 1143 HE21 GLN 145 HE21 GLN 145 -22.651 11.703 23.382 1144 HE22 GLN 145 HE22 GLN 145 -21.092 11.639 24.125 1145 H LEU 146 H LEU 146 -25.349 16.763 24.503 1146 HA LEU 146 HA LEU 146 -24.772 19.444 24.784 1147 HB2 LEU 146 HB2 LEU 146 -27.032 17.947 24.356 1148 HB3 LEU 146 HB3 LEU 146 -27.363 18.706 25.912 1149 HG LEU 146 HG LEU 146 -26.670 20.895 24.649 1150 HD11 LEU 146 HD11 LEU 146 -27.914 20.106 22.245 1151 HD12 LEU 146 HD12 LEU 146 -26.610 18.960 22.554 1152 HD13 LEU 146 HD13 LEU 146 -26.266 20.689 22.481 1153 HD21 LEU 146 HD21 LEU 146 -29.230 19.405 24.731 1154 HD22 LEU 146 HD22 LEU 146 -29.154 20.829 23.692 1155 HD23 LEU 146 HD23 LEU 146 -28.806 20.974 25.416 1156 H THR 147 H THR 147 -26.178 17.354 27.313 1157 HA THR 147 HA THR 147 -26.071 19.182 29.400 1158 HB THR 147 HB THR 147 -26.219 17.306 30.925 1159 HG1 THR 147 HG1 THR 147 -26.129 15.137 29.701 1160 HG21 THR 147 HG21 THR 147 -28.128 16.093 29.928 1161 HG22 THR 147 HG22 THR 147 -27.732 16.798 28.360 1162 HG23 THR 147 HG23 THR 147 -28.241 17.837 29.691 1163 H TYR 148 H TYR 148 -23.574 17.063 28.126 1164 HA TYR 148 HA TYR 148 -21.696 17.133 30.138 1165 HB2 TYR 148 HB2 TYR 148 -21.582 15.904 27.909 1166 HB3 TYR 148 HB3 TYR 148 -20.976 17.407 27.221 1167 HD1 TYR 148 HD2 TYR 148 -20.281 15.216 30.176 1168 HD2 TYR 148 HD1 TYR 148 -18.691 17.592 27.025 1169 HE1 TYR 148 HE2 TYR 148 -18.003 14.611 30.877 1170 HE2 TYR 148 HE1 TYR 148 -16.408 16.993 27.717 1171 HH TYR 148 HH TYR 148 -15.768 15.315 30.682 1172 H LEU 149 H LEU 149 -21.751 19.359 27.347 1173 HA LEU 149 HA LEU 149 -19.845 21.135 28.430 1174 HB2 LEU 149 HB2 LEU 149 -21.124 20.819 26.009 1175 HB3 LEU 149 HB3 LEU 149 -21.752 22.357 26.598 1176 HG LEU 149 HG LEU 149 -19.872 22.781 25.174 1177 HD11 LEU 149 HD11 LEU 149 -18.432 23.228 27.665 1178 HD12 LEU 149 HD12 LEU 149 -20.121 23.729 27.738 1179 HD13 LEU 149 HD13 LEU 149 -19.060 24.386 26.492 1180 HD21 LEU 149 HD21 LEU 149 -18.786 20.451 26.509 1181 HD22 LEU 149 HD22 LEU 149 -17.639 21.791 26.487 1182 HD23 LEU 149 HD23 LEU 149 -18.325 21.192 24.976 1183 H GLU 150 H GLU 150 -23.313 20.903 28.731 1184 HA GLU 150 HA GLU 150 -23.940 23.462 29.615 1185 HB2 GLU 150 HB2 GLU 150 -25.435 21.348 29.153 1186 HB3 GLU 150 HB3 GLU 150 -25.242 21.086 30.881 1187 HG2 GLU 150 HG2 GLU 150 -26.131 23.749 29.873 1188 HG3 GLU 150 HG3 GLU 150 -27.280 22.416 29.984 1189 H LYS 151 H LYS 151 -22.868 20.644 31.489 1190 HA LYS 151 HA LYS 151 -22.714 22.249 33.911 1191 HB2 LYS 151 HB2 LYS 151 -22.613 19.355 33.260 1192 HB3 LYS 151 HB3 LYS 151 -21.702 19.877 34.671 1193 HG2 LYS 151 HG2 LYS 151 -24.106 21.130 35.035 1194 HG3 LYS 151 HG3 LYS 151 -24.579 19.601 34.289 1195 HD2 LYS 151 HD2 LYS 151 -24.558 19.308 36.670 1196 HD3 LYS 151 HD3 LYS 151 -23.193 18.419 35.990 1197 HE2 LYS 151 HE2 LYS 151 -21.895 19.497 37.441 1198 HE3 LYS 151 HE3 LYS 151 -22.190 20.960 36.503 1199 HZ1 LYS 151 HZ1 LYS 151 -22.964 20.412 39.130 1200 HZ2 LYS 151 HZ2 LYS 151 -24.374 20.538 38.206 1201 HZ3 LYS 151 HZ3 LYS 151 -23.260 21.811 38.225 1202 H TYR 152 H TYR 152 -20.638 20.926 31.458 1203 HA TYR 152 HA TYR 152 -18.189 21.073 32.860 1204 HB2 TYR 152 HB2 TYR 152 -18.572 19.812 30.728 1205 HB3 TYR 152 HB3 TYR 152 -18.603 21.353 29.877 1206 HD1 TYR 152 HD2 TYR 152 -16.537 22.762 29.822 1207 HD2 TYR 152 HD1 TYR 152 -16.522 18.788 31.340 1208 HE1 TYR 152 HE2 TYR 152 -14.089 22.691 29.595 1209 HE2 TYR 152 HE1 TYR 152 -14.074 18.705 31.119 1210 HH TYR 152 HH TYR 152 -12.289 21.236 29.508 1211 H ARG 153 H ARG 153 -16.593 22.648 32.888 1212 HA ARG 153 HA ARG 153 -17.483 25.342 32.094 1213 HB2 ARG 153 HB2 ARG 153 -17.369 25.346 34.446 1214 HB3 ARG 153 HB3 ARG 153 -15.889 24.396 34.461 1215 HG2 ARG 153 HG2 ARG 153 -15.805 27.063 33.166 1216 HG3 ARG 153 HG3 ARG 153 -15.897 26.996 34.928 1217 HD2 ARG 153 HD2 ARG 153 -13.980 25.095 34.217 1218 HD3 ARG 153 HD3 ARG 153 -13.659 26.485 33.180 1219 HE ARG 153 HE ARG 153 -12.926 27.632 35.015 1220 HH11 ARG 153 HH11 ARG 153 -14.779 24.880 36.068 1221 HH12 ARG 153 HH12 ARG 153 -14.395 25.098 37.744 1222 HH21 ARG 153 HH21 ARG 153 -12.413 27.930 37.217 1223 HH22 ARG 153 HH22 ARG 153 -13.050 26.833 38.396 1224 HA PRO 154 HA PRO 154 -14.019 25.330 29.338 1225 HB2 PRO 154 HB2 PRO 154 -14.072 27.972 28.717 1226 HB3 PRO 154 HB3 PRO 154 -15.234 26.809 28.067 1227 HG2 PRO 154 HG2 PRO 154 -15.542 28.721 30.350 1228 HG3 PRO 154 HG3 PRO 154 -16.691 28.327 29.058 1229 HD2 PRO 154 HD2 PRO 154 -16.877 27.271 31.544 1230 HD3 PRO 154 HD3 PRO 154 -17.380 26.385 30.090 1231 H LYS 155 H LYS 155 -12.078 25.058 30.275 1232 HA LYS 155 HA LYS 155 -11.102 26.906 32.279 1233 HB2 LYS 155 HB2 LYS 155 -9.147 25.391 32.376 1234 HB3 LYS 155 HB3 LYS 155 -10.672 24.544 32.601 1235 HG2 LYS 155 HG2 LYS 155 -9.864 24.617 29.818 1236 HG3 LYS 155 HG3 LYS 155 -8.652 23.858 30.853 1237 HD2 LYS 155 HD2 LYS 155 -11.575 23.128 30.904 1238 HD3 LYS 155 HD3 LYS 155 -10.383 22.300 29.900 1239 HE2 LYS 155 HE2 LYS 155 -9.589 21.134 31.634 1240 HE3 LYS 155 HE3 LYS 155 -9.535 22.559 32.671 1241 HZ1 LYS 155 HZ1 LYS 155 -11.859 20.792 32.159 1242 HZ2 LYS 155 HZ2 LYS 155 -11.986 22.283 32.946 1243 HZ3 LYS 155 HZ3 LYS 155 -11.058 21.044 33.628 1244 H GLN 156 H GLN 156 -11.324 27.184 29.091 1245 HA GLN 156 HA GLN 156 -10.285 28.438 27.503 1246 HB2 GLN 156 HB2 GLN 156 -8.593 29.542 29.745 1247 HB3 GLN 156 HB3 GLN 156 -8.958 30.307 28.204 1248 HG2 GLN 156 HG2 GLN 156 -11.250 30.608 28.827 1249 HG3 GLN 156 HG3 GLN 156 -11.016 29.675 30.304 1250 HE21 GLN 156 HE21 GLN 156 -11.764 32.558 29.605 1251 HE22 GLN 156 HE22 GLN 156 -10.763 33.499 30.653 1252 H ARG 157 H ARG 157 -9.428 26.121 27.110 1253 HA ARG 157 HA ARG 157 -6.573 25.838 27.562 1254 HB2 ARG 157 HB2 ARG 157 -8.617 24.023 27.393 1255 HB3 ARG 157 HB3 ARG 157 -7.891 23.896 25.796 1256 HG2 ARG 157 HG2 ARG 157 -5.740 23.390 26.772 1257 HG3 ARG 157 HG3 ARG 157 -6.396 23.620 28.394 1258 HD2 ARG 157 HD2 ARG 157 -7.660 21.675 28.294 1259 HD3 ARG 157 HD3 ARG 157 -7.629 21.630 26.532 1260 HE ARG 157 HE ARG 157 -5.617 20.524 26.621 1261 HH11 ARG 157 HH11 ARG 157 -6.386 21.808 29.765 1262 HH12 ARG 157 HH12 ARG 157 -5.108 20.959 30.569 1263 HH21 ARG 157 HH21 ARG 157 -3.931 19.400 27.668 1264 HH22 ARG 157 HH22 ARG 157 -3.711 19.590 29.375 1265 H LEU 158 H LEU 158 -8.720 25.757 24.712 1266 HA LEU 158 HA LEU 158 -6.529 26.106 22.896 1267 HB2 LEU 158 HB2 LEU 158 -9.371 25.555 22.743 1268 HB3 LEU 158 HB3 LEU 158 -8.859 26.714 21.517 1269 HG LEU 158 HG LEU 158 -8.899 24.270 20.842 1270 HD11 LEU 158 HD11 LEU 158 -7.605 25.016 19.207 1271 HD12 LEU 158 HD12 LEU 158 -6.183 24.858 20.237 1272 HD13 LEU 158 HD13 LEU 158 -7.100 26.364 20.227 1273 HD21 LEU 158 HD21 LEU 158 -6.294 24.106 22.323 1274 HD22 LEU 158 HD22 LEU 158 -7.220 22.809 21.568 1275 HD23 LEU 158 HD23 LEU 158 -7.811 23.571 23.046 1276 H ARG 159 H ARG 159 -8.726 28.188 24.576 1277 HA ARG 159 HA ARG 159 -7.268 30.513 24.067 1278 HB2 ARG 159 HB2 ARG 159 -8.879 29.807 21.879 1279 HB3 ARG 159 HB3 ARG 159 -9.735 31.113 22.688 1280 HG2 ARG 159 HG2 ARG 159 -7.080 31.945 22.604 1281 HG3 ARG 159 HG3 ARG 159 -7.383 31.206 21.031 1282 HD2 ARG 159 HD2 ARG 159 -8.283 33.170 20.460 1283 HD3 ARG 159 HD3 ARG 159 -9.656 32.688 21.456 1284 HE ARG 159 HE ARG 159 -9.086 34.335 22.921 1285 HH11 ARG 159 HH11 ARG 159 -6.280 33.526 21.025 1286 HH12 ARG 159 HH12 ARG 159 -5.296 34.776 21.709 1287 HH21 ARG 159 HH21 ARG 159 -7.800 35.985 23.830 1288 HH22 ARG 159 HH22 ARG 159 -6.161 36.174 23.305 1289 H PHE 160 H PHE 160 -9.130 32.498 24.248 1290 HA PHE 160 HA PHE 160 -10.172 32.046 26.917 1291 HB2 PHE 160 HB2 PHE 160 -9.810 34.470 25.179 1292 HB3 PHE 160 HB3 PHE 160 -10.815 34.546 26.623 1293 HD1 PHE 160 HD1 PHE 160 -7.406 34.097 25.351 1294 HD2 PHE 160 HD2 PHE 160 -9.849 34.488 28.814 1295 HE1 PHE 160 HE1 PHE 160 -5.397 34.473 26.721 1296 HE2 PHE 160 HE2 PHE 160 -7.844 34.866 30.190 1297 HZ PHE 160 HZ PHE 160 -5.615 34.860 29.143 1298 H LYS 161 H LYS 161 -12.184 31.434 27.306 1299 HA LYS 161 HA LYS 161 -14.223 31.891 25.230 1300 HB2 LYS 161 HB2 LYS 161 -13.562 29.500 25.967 1301 HB3 LYS 161 HB3 LYS 161 -14.465 29.859 27.433 1302 HG2 LYS 161 HG2 LYS 161 -15.903 30.468 24.958 1303 HG3 LYS 161 HG3 LYS 161 -15.512 28.761 25.179 1304 HD2 LYS 161 HD2 LYS 161 -16.432 29.731 27.667 1305 HD3 LYS 161 HD3 LYS 161 -17.553 30.319 26.437 1306 HE2 LYS 161 HE2 LYS 161 -17.382 27.837 25.578 1307 HE3 LYS 161 HE3 LYS 161 -16.900 27.526 27.245 1308 HZ1 LYS 161 HZ1 LYS 161 -18.941 28.347 28.042 1309 HZ2 LYS 161 HZ2 LYS 161 -19.339 27.330 26.750 1310 HZ3 LYS 161 HZ3 LYS 161 -19.367 29.009 26.545 1311 H ASP 162 H ASP 162 -16.493 32.051 26.130 1312 HA ASP 162 HA ASP 162 -16.824 34.314 27.642 1313 HB2 ASP 162 HB2 ASP 162 -18.591 32.008 26.978 1314 HB3 ASP 162 HB3 ASP 162 -19.142 33.136 28.213 Start of MODEL 16 1 H1 MET 1 H MET 1 -7.090 -3.888 -3.775 2 HA MET 1 HA MET 1 -9.263 -2.923 -3.390 3 HB2 MET 1 HB2 MET 1 -8.027 -2.565 -0.709 4 HB3 MET 1 HB3 MET 1 -9.213 -1.369 -1.217 5 HG2 MET 1 HG2 MET 1 -10.897 -3.034 -1.465 6 HG3 MET 1 HG3 MET 1 -9.727 -4.330 -1.230 7 HE1 MET 1 HE1 MET 1 -8.395 -4.692 0.881 8 HE2 MET 1 HE2 MET 1 -9.212 -4.644 2.443 9 HE3 MET 1 HE3 MET 1 -9.881 -5.609 1.126 10 H ALA 2 H ALA 2 -7.927 -1.990 -5.226 11 HA ALA 2 HA ALA 2 -7.309 -0.158 -6.426 12 HB1 ALA 2 HB1 ALA 2 -7.878 1.939 -4.542 13 HB2 ALA 2 HB2 ALA 2 -8.672 1.559 -6.070 14 HB3 ALA 2 HB3 ALA 2 -9.196 0.768 -4.583 15 H ARG 3 H ARG 3 -5.156 -0.127 -6.631 16 HA ARG 3 HA ARG 3 -3.573 1.003 -4.416 17 HB2 ARG 3 HB2 ARG 3 -3.300 -1.486 -5.629 18 HB3 ARG 3 HB3 ARG 3 -2.036 -0.511 -6.366 19 HG2 ARG 3 HG2 ARG 3 -0.843 -1.169 -4.586 20 HG3 ARG 3 HG3 ARG 3 -1.701 0.140 -3.770 21 HD2 ARG 3 HD2 ARG 3 -2.014 -1.650 -2.331 22 HD3 ARG 3 HD3 ARG 3 -3.496 -1.656 -3.287 23 HE ARG 3 HE ARG 3 -1.615 -3.330 -4.521 24 HH11 ARG 3 HH11 ARG 3 -3.573 -3.173 -1.647 25 HH12 ARG 3 HH12 ARG 3 -3.697 -4.893 -1.480 26 HH21 ARG 3 HH21 ARG 3 -1.770 -5.596 -4.311 27 HH22 ARG 3 HH22 ARG 3 -2.670 -6.270 -2.995 28 H MET 4 H MET 4 -2.457 2.807 -4.810 29 HA MET 4 HA MET 4 -1.536 4.584 -5.889 30 HB2 MET 4 HB2 MET 4 -0.254 2.681 -7.002 31 HB3 MET 4 HB3 MET 4 -1.368 2.855 -8.352 32 HG2 MET 4 HG2 MET 4 0.584 4.070 -8.894 33 HG3 MET 4 HG3 MET 4 -0.670 5.247 -8.511 34 HE1 MET 4 HE1 MET 4 2.819 3.734 -7.436 35 HE2 MET 4 HE2 MET 4 2.822 4.126 -5.717 36 HE3 MET 4 HE3 MET 4 1.645 2.978 -6.358 37 H ASN 5 H ASN 5 -3.022 6.137 -6.119 38 HA ASN 5 HA ASN 5 -4.328 6.492 -8.636 39 HB2 ASN 5 HB2 ASN 5 -6.587 6.257 -8.023 40 HB3 ASN 5 HB3 ASN 5 -5.805 4.841 -7.326 41 HD21 ASN 5 HD21 ASN 5 -7.873 7.355 -6.742 42 HD22 ASN 5 HD22 ASN 5 -7.842 7.344 -5.014 43 H ARG 6 H ARG 6 -6.249 8.321 -8.001 44 HA ARG 6 HA ARG 6 -4.699 10.421 -6.634 45 HB2 ARG 6 HB2 ARG 6 -6.845 10.878 -8.703 46 HB3 ARG 6 HB3 ARG 6 -5.666 12.033 -8.095 47 HG2 ARG 6 HG2 ARG 6 -4.681 11.538 -10.071 48 HG3 ARG 6 HG3 ARG 6 -3.974 10.249 -9.093 49 HD2 ARG 6 HD2 ARG 6 -6.369 9.174 -9.936 50 HD3 ARG 6 HD3 ARG 6 -5.825 10.098 -11.335 51 HE ARG 6 HE ARG 6 -3.615 8.723 -10.628 52 HH11 ARG 6 HH11 ARG 6 -6.913 7.776 -11.213 53 HH12 ARG 6 HH12 ARG 6 -6.495 6.193 -11.781 54 HH21 ARG 6 HH21 ARG 6 -3.052 6.641 -11.373 55 HH22 ARG 6 HH22 ARG 6 -4.299 5.548 -11.870 56 HA PRO 7 HA PRO 7 -8.507 9.679 -4.092 57 HB2 PRO 7 HB2 PRO 7 -7.219 9.825 -1.707 58 HB3 PRO 7 HB3 PRO 7 -7.348 8.328 -2.639 59 HG2 PRO 7 HG2 PRO 7 -5.066 10.257 -2.459 60 HG3 PRO 7 HG3 PRO 7 -5.037 8.484 -2.440 61 HD2 PRO 7 HD2 PRO 7 -4.455 9.927 -4.656 62 HD3 PRO 7 HD3 PRO 7 -5.229 8.331 -4.732 63 H ALA 8 H ALA 8 -9.738 11.417 -3.792 64 HA ALA 8 HA ALA 8 -8.452 13.963 -3.074 65 HB1 ALA 8 HB1 ALA 8 -10.520 13.260 -4.947 66 HB2 ALA 8 HB2 ALA 8 -11.099 14.475 -3.806 67 HB3 ALA 8 HB3 ALA 8 -9.646 14.781 -4.759 68 HA PRO 9 HA PRO 9 -10.476 12.920 0.871 69 HB2 PRO 9 HB2 PRO 9 -8.833 14.485 2.361 70 HB3 PRO 9 HB3 PRO 9 -8.398 12.850 1.849 71 HG2 PRO 9 HG2 PRO 9 -7.605 15.480 0.661 72 HG3 PRO 9 HG3 PRO 9 -6.612 14.042 0.958 73 HD2 PRO 9 HD2 PRO 9 -7.604 14.648 -1.488 74 HD3 PRO 9 HD3 PRO 9 -7.364 12.975 -0.942 75 H VAL 10 H VAL 10 -10.677 14.809 2.805 76 HA VAL 10 HA VAL 10 -11.945 17.124 1.500 77 HB VAL 10 HB VAL 10 -13.100 15.316 3.600 78 HG11 VAL 10 HG11 VAL 10 -13.317 17.453 4.613 79 HG12 VAL 10 HG12 VAL 10 -13.797 18.200 3.088 80 HG13 VAL 10 HG13 VAL 10 -14.881 17.066 3.896 81 HG21 VAL 10 HG21 VAL 10 -14.002 16.403 0.950 82 HG22 VAL 10 HG22 VAL 10 -13.808 14.720 1.442 83 HG23 VAL 10 HG23 VAL 10 -15.132 15.684 2.097 84 H GLU 11 H GLU 11 -11.027 18.940 2.167 85 HA GLU 11 HA GLU 11 -9.676 18.991 4.766 86 HB2 GLU 11 HB2 GLU 11 -8.167 19.768 3.192 87 HB3 GLU 11 HB3 GLU 11 -9.412 20.563 2.238 88 HG2 GLU 11 HG2 GLU 11 -8.872 21.598 4.965 89 HG3 GLU 11 HG3 GLU 11 -7.689 21.921 3.699 90 H VAL 12 H VAL 12 -10.480 20.067 6.446 91 HA VAL 12 HA VAL 12 -12.692 21.954 5.958 92 HB VAL 12 HB VAL 12 -13.535 20.028 7.123 93 HG11 VAL 12 HG11 VAL 12 -10.977 19.979 8.304 94 HG12 VAL 12 HG12 VAL 12 -12.142 20.180 9.614 95 HG13 VAL 12 HG13 VAL 12 -12.288 18.817 8.504 96 HG21 VAL 12 HG21 VAL 12 -14.211 22.372 7.830 97 HG22 VAL 12 HG22 VAL 12 -14.551 21.075 8.976 98 HG23 VAL 12 HG23 VAL 12 -13.168 22.139 9.233 99 H SER 13 H SER 13 -11.894 23.953 6.121 100 HA SER 13 HA SER 13 -9.818 24.540 8.087 101 HB2 SER 13 HB2 SER 13 -9.124 26.106 6.634 102 HB3 SER 13 HB3 SER 13 -10.307 25.458 5.498 103 HG SER 13 HG SER 13 -11.718 27.028 6.052 104 H TYR 14 H TYR 14 -10.260 25.405 9.998 105 HA TYR 14 HA TYR 14 -12.947 26.479 10.468 106 HB2 TYR 14 HB2 TYR 14 -11.519 24.658 11.906 107 HB3 TYR 14 HB3 TYR 14 -11.131 26.142 12.767 108 HD1 TYR 14 HD2 TYR 14 -14.251 24.840 11.164 109 HD2 TYR 14 HD1 TYR 14 -12.384 26.311 14.693 110 HE1 TYR 14 HE2 TYR 14 -16.402 24.708 12.350 111 HE2 TYR 14 HE1 TYR 14 -14.530 26.182 15.889 112 HH TYR 14 HH TYR 14 -17.506 25.226 14.224 113 H LYS 15 H LYS 15 -12.293 27.930 12.815 114 HA LYS 15 HA LYS 15 -11.788 30.465 11.776 115 HB2 LYS 15 HB2 LYS 15 -11.482 31.161 14.147 116 HB3 LYS 15 HB3 LYS 15 -12.937 30.210 13.877 117 HG2 LYS 15 HG2 LYS 15 -11.471 28.205 14.598 118 HG3 LYS 15 HG3 LYS 15 -10.412 29.442 15.278 119 HD2 LYS 15 HD2 LYS 15 -11.907 28.712 17.001 120 HD3 LYS 15 HD3 LYS 15 -12.383 30.342 16.519 121 HE2 LYS 15 HE2 LYS 15 -13.756 28.434 14.891 122 HE3 LYS 15 HE3 LYS 15 -13.967 28.006 16.588 123 HZ1 LYS 15 HZ1 LYS 15 -14.375 30.650 16.645 124 HZ2 LYS 15 HZ2 LYS 15 -15.610 29.505 16.490 125 HZ3 LYS 15 HZ3 LYS 15 -14.992 30.274 15.115 126 H HIS 16 H HIS 16 -9.609 28.346 13.635 127 HA HIS 16 HA HIS 16 -7.335 29.584 12.278 128 HB2 HIS 16 HB2 HIS 16 -7.794 29.540 15.245 129 HB3 HIS 16 HB3 HIS 16 -6.156 29.521 14.599 130 HD1 HIS 16 HD1 HIS 16 -6.345 31.543 12.356 131 HD2 HIS 16 HD2 HIS 16 -8.123 32.098 16.070 132 HE1 HIS 16 HE1 HIS 16 -6.635 34.029 12.598 133 H MET 17 H MET 17 -8.428 27.104 11.742 134 HA MET 17 HA MET 17 -6.158 25.410 12.223 135 HB2 MET 17 HB2 MET 17 -6.995 23.916 13.697 136 HB3 MET 17 HB3 MET 17 -8.042 25.250 14.163 137 HG2 MET 17 HG2 MET 17 -9.639 24.335 12.364 138 HG3 MET 17 HG3 MET 17 -8.667 22.868 12.470 139 HE1 MET 17 HE1 MET 17 -11.356 24.814 15.523 140 HE2 MET 17 HE2 MET 17 -9.674 25.018 16.010 141 HE3 MET 17 HE3 MET 17 -10.212 25.599 14.434 142 H ARG 18 H ARG 18 -6.555 23.185 11.191 143 HA ARG 18 HA ARG 18 -8.580 23.094 9.140 144 HB2 ARG 18 HB2 ARG 18 -6.524 24.518 8.334 145 HB3 ARG 18 HB3 ARG 18 -5.769 22.944 8.124 146 HG2 ARG 18 HG2 ARG 18 -7.269 22.306 6.466 147 HG3 ARG 18 HG3 ARG 18 -8.450 23.531 6.932 148 HD2 ARG 18 HD2 ARG 18 -5.794 23.977 5.578 149 HD3 ARG 18 HD3 ARG 18 -7.397 24.206 4.880 150 HE ARG 18 HE ARG 18 -7.257 25.844 7.109 151 HH11 ARG 18 HH11 ARG 18 -5.626 25.510 4.051 152 HH12 ARG 18 HH12 ARG 18 -5.246 27.195 3.922 153 HH21 ARG 18 HH21 ARG 18 -6.762 28.064 6.951 154 HH22 ARG 18 HH22 ARG 18 -5.891 28.647 5.572 155 H PHE 19 H PHE 19 -9.196 21.049 8.938 156 HA PHE 19 HA PHE 19 -7.255 18.931 9.599 157 HB2 PHE 19 HB2 PHE 19 -10.199 19.142 10.198 158 HB3 PHE 19 HB3 PHE 19 -9.364 17.593 10.206 159 HD1 PHE 19 HD1 PHE 19 -8.650 21.018 11.514 160 HD2 PHE 19 HD2 PHE 19 -8.866 16.842 12.306 161 HE1 PHE 19 HE1 PHE 19 -7.931 21.424 13.831 162 HE2 PHE 19 HE2 PHE 19 -8.148 17.241 14.625 163 HZ PHE 19 HZ PHE 19 -7.680 19.535 15.391 164 H LEU 20 H LEU 20 -7.848 16.781 8.606 165 HA LEU 20 HA LEU 20 -9.084 17.108 5.960 166 HB2 LEU 20 HB2 LEU 20 -6.327 16.608 6.533 167 HB3 LEU 20 HB3 LEU 20 -7.016 15.200 5.727 168 HG LEU 20 HG LEU 20 -6.058 16.568 4.046 169 HD11 LEU 20 HD11 LEU 20 -7.791 16.210 2.714 170 HD12 LEU 20 HD12 LEU 20 -8.641 17.595 3.397 171 HD13 LEU 20 HD13 LEU 20 -8.816 16.003 4.133 172 HD21 LEU 20 HD21 LEU 20 -7.692 18.892 5.049 173 HD22 LEU 20 HD22 LEU 20 -6.470 18.902 3.777 174 HD23 LEU 20 HD23 LEU 20 -5.994 18.636 5.454 175 H ILE 21 H ILE 21 -10.846 15.870 6.084 176 HA ILE 21 HA ILE 21 -10.792 13.369 7.571 177 HB ILE 21 HB ILE 21 -13.270 13.387 6.566 178 HG12 ILE 21 HG12 ILE 21 -12.495 15.615 5.381 179 HG13 ILE 21 HG13 ILE 21 -14.123 15.462 6.033 180 HG21 ILE 21 HG21 ILE 21 -12.847 13.287 8.902 181 HG22 ILE 21 HG22 ILE 21 -12.225 14.936 8.924 182 HG23 ILE 21 HG23 ILE 21 -13.940 14.645 8.636 183 HD11 ILE 21 HD11 ILE 21 -13.666 16.842 7.831 184 HD12 ILE 21 HD12 ILE 21 -11.922 16.614 7.691 185 HD13 ILE 21 HD13 ILE 21 -12.781 17.600 6.508 186 H THR 22 H THR 22 -10.422 11.466 6.658 187 HA THR 22 HA THR 22 -9.792 11.120 3.961 188 HB THR 22 HB THR 22 -8.991 9.550 5.619 189 HG1 THR 22 HG1 THR 22 -10.789 8.123 3.940 190 HG21 THR 22 HG21 THR 22 -10.371 8.076 6.853 191 HG22 THR 22 HG22 THR 22 -11.792 8.478 5.889 192 HG23 THR 22 HG23 THR 22 -11.118 9.666 7.004 193 H HIS 23 H HIS 23 -11.021 11.006 2.208 194 HA HIS 23 HA HIS 23 -13.900 10.581 2.516 195 HB2 HIS 23 HB2 HIS 23 -12.880 12.561 1.229 196 HB3 HIS 23 HB3 HIS 23 -12.503 11.387 -0.028 197 HD1 HIS 23 HD1 HIS 23 -14.145 11.852 -1.827 198 HD2 HIS 23 HD2 HIS 23 -15.925 11.789 1.926 199 HE1 HIS 23 HE1 HIS 23 -16.612 12.090 -2.250 200 H ASN 24 H ASN 24 -14.607 8.569 2.293 201 HA ASN 24 HA ASN 24 -14.931 6.466 1.491 202 HB2 ASN 24 HB2 ASN 24 -13.330 6.989 -0.969 203 HB3 ASN 24 HB3 ASN 24 -14.878 6.167 -0.790 204 HD21 ASN 24 HD21 ASN 24 -16.492 7.897 0.368 205 HD22 ASN 24 HD22 ASN 24 -16.656 9.344 -0.561 206 HA PRO 25 HA PRO 25 -11.386 4.108 2.555 207 HB2 PRO 25 HB2 PRO 25 -11.896 1.753 1.305 208 HB3 PRO 25 HB3 PRO 25 -12.784 2.293 2.735 209 HG2 PRO 25 HG2 PRO 25 -13.568 2.445 -0.150 210 HG3 PRO 25 HG3 PRO 25 -14.550 1.987 1.254 211 HD2 PRO 25 HD2 PRO 25 -14.673 4.448 0.130 212 HD3 PRO 25 HD3 PRO 25 -14.921 4.178 1.867 213 H THR 26 H THR 26 -9.699 5.189 1.513 214 HA THR 26 HA THR 26 -8.875 4.002 -1.054 215 HB THR 26 HB THR 26 -9.658 6.357 -1.334 216 HG1 THR 26 HG1 THR 26 -6.881 6.373 -1.778 217 HG21 THR 26 HG21 THR 26 -7.177 7.206 0.126 218 HG22 THR 26 HG22 THR 26 -8.712 7.016 0.974 219 HG23 THR 26 HG23 THR 26 -8.572 8.174 -0.348 220 H ASN 27 H ASN 27 -8.186 4.228 2.132 221 HA ASN 27 HA ASN 27 -5.288 4.419 1.834 222 HB2 ASN 27 HB2 ASN 27 -6.905 4.026 4.361 223 HB3 ASN 27 HB3 ASN 27 -5.204 4.469 4.253 224 HD21 ASN 27 HD21 ASN 27 -6.840 6.007 5.727 225 HD22 ASN 27 HD22 ASN 27 -7.125 7.521 4.944 226 H ALA 28 H ALA 28 -6.529 2.195 0.609 227 HA ALA 28 HA ALA 28 -6.176 -0.098 2.333 228 HB1 ALA 28 HB1 ALA 28 -6.647 -0.040 -0.644 229 HB2 ALA 28 HB2 ALA 28 -6.858 -1.414 0.441 230 HB3 ALA 28 HB3 ALA 28 -7.924 -0.016 0.574 231 H THR 29 H THR 29 -4.126 1.872 0.587 232 HA THR 29 HA THR 29 -2.120 -0.276 0.348 233 HB THR 29 HB THR 29 -2.392 0.368 -1.861 234 HG1 THR 29 HG1 THR 29 -0.343 0.827 -2.054 235 HG21 THR 29 HG21 THR 29 -2.686 2.703 -2.602 236 HG22 THR 29 HG22 THR 29 -2.659 3.225 -0.918 237 HG23 THR 29 HG23 THR 29 -3.961 2.188 -1.499 238 H LEU 30 H LEU 30 -2.896 2.852 1.587 239 HA LEU 30 HA LEU 30 -1.865 4.080 3.220 240 HB2 LEU 30 HB2 LEU 30 -0.888 1.706 3.777 241 HB3 LEU 30 HB3 LEU 30 0.591 2.393 3.109 242 HG LEU 30 HG LEU 30 0.474 4.193 4.803 243 HD11 LEU 30 HD11 LEU 30 -1.277 4.512 6.140 244 HD12 LEU 30 HD12 LEU 30 -1.380 2.800 6.550 245 HD13 LEU 30 HD13 LEU 30 -2.152 3.403 5.084 246 HD21 LEU 30 HD21 LEU 30 1.444 2.935 6.484 247 HD22 LEU 30 HD22 LEU 30 1.622 1.883 5.079 248 HD23 LEU 30 HD23 LEU 30 0.338 1.580 6.251 249 H SER 31 H SER 31 0.512 2.855 0.862 250 HA SER 31 HA SER 31 2.289 4.912 0.776 251 HB2 SER 31 HB2 SER 31 2.963 3.337 -0.718 252 HB3 SER 31 HB3 SER 31 1.313 2.945 -1.202 253 HG SER 31 HG SER 31 2.129 3.944 -2.945 254 H THR 32 H THR 32 -0.671 4.731 -1.203 255 HA THR 32 HA THR 32 -0.399 7.358 -2.246 256 HB THR 32 HB THR 32 -2.985 5.816 -2.046 257 HG1 THR 32 HG1 THR 32 -1.118 5.644 -4.181 258 HG21 THR 32 HG21 THR 32 -2.466 8.326 -3.025 259 HG22 THR 32 HG22 THR 32 -3.825 7.307 -3.500 260 HG23 THR 32 HG23 THR 32 -2.353 7.324 -4.471 261 H PHE 33 H PHE 33 -2.042 6.002 0.546 262 HA PHE 33 HA PHE 33 -3.668 8.182 1.207 263 HB2 PHE 33 HB2 PHE 33 -4.217 6.344 2.466 264 HB3 PHE 33 HB3 PHE 33 -2.539 5.858 2.684 265 HD1 PHE 33 HD1 PHE 33 -4.736 8.733 3.609 266 HD2 PHE 33 HD2 PHE 33 -1.720 5.982 4.815 267 HE1 PHE 33 HE1 PHE 33 -4.752 9.711 5.867 268 HE2 PHE 33 HE2 PHE 33 -1.732 6.955 7.075 269 HZ PHE 33 HZ PHE 33 -3.250 8.821 7.604 270 H ILE 34 H ILE 34 -0.384 7.375 2.313 271 HA ILE 34 HA ILE 34 -0.001 9.566 3.995 272 HB ILE 34 HB ILE 34 2.119 8.197 2.336 273 HG12 ILE 34 HG12 ILE 34 1.398 7.519 5.177 274 HG13 ILE 34 HG13 ILE 34 0.574 6.751 3.824 275 HG21 ILE 34 HG21 ILE 34 3.121 8.935 4.836 276 HG22 ILE 34 HG22 ILE 34 3.495 9.665 3.276 277 HG23 ILE 34 HG23 ILE 34 2.196 10.326 4.270 278 HD11 ILE 34 HD11 ILE 34 3.559 6.738 4.038 279 HD12 ILE 34 HD12 ILE 34 2.562 5.543 4.870 280 HD13 ILE 34 HD13 ILE 34 2.506 5.669 3.112 281 H GLU 35 H GLU 35 0.533 9.229 0.518 282 HA GLU 35 HA GLU 35 1.781 11.734 0.129 283 HB2 GLU 35 HB2 GLU 35 0.110 10.291 -1.923 284 HB3 GLU 35 HB3 GLU 35 1.470 11.370 -2.200 285 HG2 GLU 35 HG2 GLU 35 2.402 9.258 -0.580 286 HG3 GLU 35 HG3 GLU 35 1.457 8.542 -1.884 287 H ASP 36 H ASP 36 -1.576 10.715 0.206 288 HA ASP 36 HA ASP 36 -2.751 13.015 -0.888 289 HB2 ASP 36 HB2 ASP 36 -3.684 10.620 0.061 290 HB3 ASP 36 HB3 ASP 36 -4.268 11.744 1.285 291 H LEU 37 H LEU 37 -2.229 12.152 2.532 292 HA LEU 37 HA LEU 37 -3.085 14.692 3.501 293 HB2 LEU 37 HB2 LEU 37 -2.252 13.929 5.657 294 HB3 LEU 37 HB3 LEU 37 -3.230 12.692 4.870 295 HG LEU 37 HG LEU 37 -0.895 11.780 4.094 296 HD11 LEU 37 HD11 LEU 37 0.930 12.621 5.041 297 HD12 LEU 37 HD12 LEU 37 0.210 12.552 6.649 298 HD13 LEU 37 HD13 LEU 37 -0.072 13.954 5.617 299 HD21 LEU 37 HD21 LEU 37 -1.858 10.205 5.356 300 HD22 LEU 37 HD22 LEU 37 -2.524 11.384 6.486 301 HD23 LEU 37 HD23 LEU 37 -0.856 10.836 6.663 302 H LYS 38 H LYS 38 -0.124 13.475 2.256 303 HA LYS 38 HA LYS 38 1.554 15.454 3.519 304 HB2 LYS 38 HB2 LYS 38 1.946 13.224 1.586 305 HB3 LYS 38 HB3 LYS 38 3.133 14.522 1.580 306 HG2 LYS 38 HG2 LYS 38 3.237 14.129 4.129 307 HG3 LYS 38 HG3 LYS 38 2.471 12.583 3.756 308 HD2 LYS 38 HD2 LYS 38 5.063 13.597 2.589 309 HD3 LYS 38 HD3 LYS 38 4.909 12.377 3.855 310 HE2 LYS 38 HE2 LYS 38 3.350 11.234 2.041 311 HE3 LYS 38 HE3 LYS 38 4.348 12.186 0.942 312 HZ1 LYS 38 HZ1 LYS 38 5.230 9.946 1.323 313 HZ2 LYS 38 HZ2 LYS 38 5.399 10.289 2.971 314 HZ3 LYS 38 HZ3 LYS 38 6.310 11.145 1.831 315 H LYS 39 H LYS 39 -0.010 14.991 0.400 316 HA LYS 39 HA LYS 39 1.240 17.245 -0.843 317 HB2 LYS 39 HB2 LYS 39 -0.281 16.853 -2.677 318 HB3 LYS 39 HB3 LYS 39 0.346 15.309 -2.114 319 HG2 LYS 39 HG2 LYS 39 -1.703 14.820 -0.977 320 HG3 LYS 39 HG3 LYS 39 -2.329 16.435 -1.317 321 HD2 LYS 39 HD2 LYS 39 -1.570 14.466 -3.467 322 HD3 LYS 39 HD3 LYS 39 -3.200 14.596 -2.803 323 HE2 LYS 39 HE2 LYS 39 -2.223 17.197 -3.513 324 HE3 LYS 39 HE3 LYS 39 -2.053 16.102 -4.884 325 HZ1 LYS 39 HZ1 LYS 39 -4.586 16.032 -3.440 326 HZ2 LYS 39 HZ2 LYS 39 -4.280 15.872 -5.095 327 HZ3 LYS 39 HZ3 LYS 39 -4.284 17.405 -4.380 328 H TYR 40 H TYR 40 -1.764 16.678 0.888 329 HA TYR 40 HA TYR 40 -2.957 19.183 0.261 330 HB2 TYR 40 HB2 TYR 40 -3.527 16.928 2.091 331 HB3 TYR 40 HB3 TYR 40 -4.183 18.490 2.569 332 HD1 TYR 40 HD2 TYR 40 -4.019 16.177 -0.352 333 HD2 TYR 40 HD1 TYR 40 -6.215 19.195 1.690 334 HE1 TYR 40 HE2 TYR 40 -5.893 15.859 -1.912 335 HE2 TYR 40 HE1 TYR 40 -8.096 18.885 0.136 336 HH TYR 40 HH TYR 40 -7.880 16.619 -2.582 337 H GLY 41 H GLY 41 -0.328 18.400 2.166 338 HA2 GLY 41 HA2 GLY 41 1.018 19.857 3.381 339 HA3 GLY 41 HA3 GLY 41 -0.255 21.066 3.288 340 H ALA 42 H ALA 42 -0.801 17.808 4.445 341 HA ALA 42 HA ALA 42 -1.424 18.927 7.089 342 HB1 ALA 42 HB1 ALA 42 -2.904 17.105 7.424 343 HB2 ALA 42 HB2 ALA 42 -3.200 17.703 5.791 344 HB3 ALA 42 HB3 ALA 42 -2.256 16.234 6.034 345 H THR 43 H THR 43 0.065 18.658 8.605 346 HA THR 43 HA THR 43 2.056 16.549 8.349 347 HB THR 43 HB THR 43 3.260 17.651 10.123 348 HG1 THR 43 HG1 THR 43 0.788 18.898 10.535 349 HG21 THR 43 HG21 THR 43 2.107 19.713 8.239 350 HG22 THR 43 HG22 THR 43 3.451 18.630 7.876 351 HG23 THR 43 HG23 THR 43 3.620 19.854 9.134 352 H THR 44 H THR 44 -0.593 15.693 8.925 353 HA THR 44 HA THR 44 -0.078 14.287 11.427 354 HB THR 44 HB THR 44 -2.841 14.875 11.503 355 HG1 THR 44 HG1 THR 44 -1.278 17.252 11.351 356 HG21 THR 44 HG21 THR 44 -2.388 15.562 13.680 357 HG22 THR 44 HG22 THR 44 -0.809 16.219 13.249 358 HG23 THR 44 HG23 THR 44 -1.045 14.474 13.332 359 H VAL 45 H VAL 45 -0.881 12.235 11.468 360 HA VAL 45 HA VAL 45 -1.949 11.216 8.967 361 HB VAL 45 HB VAL 45 -1.479 9.494 11.368 362 HG11 VAL 45 HG11 VAL 45 -0.534 8.072 9.384 363 HG12 VAL 45 HG12 VAL 45 -2.275 8.202 9.640 364 HG13 VAL 45 HG13 VAL 45 -1.488 9.182 8.402 365 HG21 VAL 45 HG21 VAL 45 0.477 10.957 11.252 366 HG22 VAL 45 HG22 VAL 45 0.888 9.304 10.793 367 HG23 VAL 45 HG23 VAL 45 0.692 10.541 9.552 368 H VAL 46 H VAL 46 -3.913 10.197 8.709 369 HA VAL 46 HA VAL 46 -6.018 11.047 10.453 370 HB VAL 46 HB VAL 46 -7.528 10.143 8.899 371 HG11 VAL 46 HG11 VAL 46 -6.500 10.745 6.640 372 HG12 VAL 46 HG12 VAL 46 -6.515 11.999 7.882 373 HG13 VAL 46 HG13 VAL 46 -5.030 11.109 7.542 374 HG21 VAL 46 HG21 VAL 46 -7.167 7.989 8.387 375 HG22 VAL 46 HG22 VAL 46 -6.264 8.632 7.015 376 HG23 VAL 46 HG23 VAL 46 -5.415 8.156 8.486 377 H ARG 47 H ARG 47 -4.173 9.434 11.841 378 HA ARG 47 HA ARG 47 -5.037 6.746 12.072 379 HB2 ARG 47 HB2 ARG 47 -3.234 8.559 13.568 380 HB3 ARG 47 HB3 ARG 47 -3.887 7.198 14.470 381 HG2 ARG 47 HG2 ARG 47 -3.089 5.820 12.399 382 HG3 ARG 47 HG3 ARG 47 -2.038 7.213 12.137 383 HD2 ARG 47 HD2 ARG 47 -0.628 6.292 13.592 384 HD3 ARG 47 HD3 ARG 47 -1.804 6.671 14.849 385 HE ARG 47 HE ARG 47 -2.261 4.172 13.475 386 HH11 ARG 47 HH11 ARG 47 -0.719 5.768 16.158 387 HH12 ARG 47 HH12 ARG 47 -0.597 4.328 17.114 388 HH21 ARG 47 HH21 ARG 47 -2.107 2.270 14.724 389 HH22 ARG 47 HH22 ARG 47 -1.386 2.338 16.296 390 H VAL 48 H VAL 48 -6.757 9.412 12.684 391 HA VAL 48 HA VAL 48 -7.846 8.907 15.262 392 HB VAL 48 HB VAL 48 -9.000 10.483 12.957 393 HG11 VAL 48 HG11 VAL 48 -10.163 11.615 15.024 394 HG12 VAL 48 HG12 VAL 48 -10.852 10.174 14.275 395 HG13 VAL 48 HG13 VAL 48 -9.907 10.033 15.759 396 HG21 VAL 48 HG21 VAL 48 -8.195 12.433 14.304 397 HG22 VAL 48 HG22 VAL 48 -7.330 11.291 15.333 398 HG23 VAL 48 HG23 VAL 48 -6.912 11.431 13.626 399 H CYS 49 H CYS 49 -8.213 6.582 15.016 400 HA CYS 49 HA CYS 49 -10.895 5.931 14.720 401 HB2 CYS 49 HB2 CYS 49 -10.923 4.634 12.645 402 HB3 CYS 49 HB3 CYS 49 -10.537 6.320 12.319 403 HG CYS 49 HG CYS 49 -8.949 3.728 11.300 404 H GLU 50 H GLU 50 -10.760 3.275 13.871 405 HA GLU 50 HA GLU 50 -9.603 2.057 16.178 406 HB2 GLU 50 HB2 GLU 50 -11.705 1.345 14.849 407 HB3 GLU 50 HB3 GLU 50 -10.572 0.545 13.769 408 HG2 GLU 50 HG2 GLU 50 -10.184 -1.122 15.205 409 HG3 GLU 50 HG3 GLU 50 -10.148 -0.046 16.601 410 H VAL 51 H VAL 51 -7.443 3.131 15.345 411 HA VAL 51 HA VAL 51 -5.969 1.842 13.313 412 HB VAL 51 HB VAL 51 -3.960 2.821 14.483 413 HG11 VAL 51 HG11 VAL 51 -5.011 4.052 12.722 414 HG12 VAL 51 HG12 VAL 51 -6.294 4.602 13.803 415 HG13 VAL 51 HG13 VAL 51 -4.642 5.179 14.027 416 HG21 VAL 51 HG21 VAL 51 -4.160 4.104 16.410 417 HG22 VAL 51 HG22 VAL 51 -5.909 4.259 16.246 418 HG23 VAL 51 HG23 VAL 51 -5.203 2.723 16.748 419 H THR 52 H THR 52 -4.464 0.205 13.371 420 HA THR 52 HA THR 52 -3.892 -1.153 15.875 421 HB THR 52 HB THR 52 -4.644 -3.331 15.159 422 HG1 THR 52 HG1 THR 52 -5.079 -1.984 12.738 423 HG21 THR 52 HG21 THR 52 -6.838 -1.296 14.745 424 HG22 THR 52 HG22 THR 52 -6.287 -1.909 16.304 425 HG23 THR 52 HG23 THR 52 -7.063 -2.996 15.153 426 H TYR 53 H TYR 53 -2.445 0.306 13.724 427 HA TYR 53 HA TYR 53 -0.443 -1.772 13.185 428 HB2 TYR 53 HB2 TYR 53 -0.638 -1.601 10.965 429 HB3 TYR 53 HB3 TYR 53 -2.066 -0.601 11.212 430 HD1 TYR 53 HD2 TYR 53 -1.639 1.938 11.570 431 HD2 TYR 53 HD1 TYR 53 1.208 -0.722 9.860 432 HE1 TYR 53 HE2 TYR 53 -0.484 3.848 10.537 433 HE2 TYR 53 HE1 TYR 53 2.371 1.180 8.823 434 HH TYR 53 HH TYR 53 1.016 4.336 8.733 435 H ASP 54 H ASP 54 1.669 -1.116 13.317 436 HA ASP 54 HA ASP 54 2.175 1.298 14.768 437 HB2 ASP 54 HB2 ASP 54 3.741 -1.059 13.898 438 HB3 ASP 54 HB3 ASP 54 4.652 0.432 14.121 439 H LYS 55 H LYS 55 2.854 3.222 14.048 440 HA LYS 55 HA LYS 55 2.757 3.835 11.286 441 HB2 LYS 55 HB2 LYS 55 3.802 6.052 12.128 442 HB3 LYS 55 HB3 LYS 55 2.182 5.623 12.661 443 HG2 LYS 55 HG2 LYS 55 2.824 5.282 14.810 444 HG3 LYS 55 HG3 LYS 55 4.446 4.748 14.359 445 HD2 LYS 55 HD2 LYS 55 4.512 7.333 13.546 446 HD3 LYS 55 HD3 LYS 55 3.429 7.450 14.935 447 HE2 LYS 55 HE2 LYS 55 5.054 6.850 16.425 448 HE3 LYS 55 HE3 LYS 55 5.925 5.870 15.247 449 HZ1 LYS 55 HZ1 LYS 55 5.978 8.562 14.433 450 HZ2 LYS 55 HZ2 LYS 55 7.274 7.563 14.858 451 HZ3 LYS 55 HZ3 LYS 55 6.486 8.475 16.044 452 H THR 56 H THR 56 4.236 2.892 9.992 453 HA THR 56 HA THR 56 7.055 2.920 10.778 454 HB THR 56 HB THR 56 7.192 0.969 9.717 455 HG1 THR 56 HG1 THR 56 6.907 0.900 7.449 456 HG21 THR 56 HG21 THR 56 4.862 0.658 10.384 457 HG22 THR 56 HG22 THR 56 5.175 -0.118 8.832 458 HG23 THR 56 HG23 THR 56 4.322 1.424 8.891 459 HA PRO 57 HA PRO 57 7.172 5.136 6.484 460 HB2 PRO 57 HB2 PRO 57 4.792 5.826 5.375 461 HB3 PRO 57 HB3 PRO 57 5.576 4.270 5.076 462 HG2 PRO 57 HG2 PRO 57 3.355 4.939 6.969 463 HG3 PRO 57 HG3 PRO 57 3.525 3.540 5.893 464 HD2 PRO 57 HD2 PRO 57 4.073 3.416 8.542 465 HD3 PRO 57 HD3 PRO 57 4.943 2.440 7.340 466 H LEU 58 H LEU 58 4.005 6.372 7.515 467 HA LEU 58 HA LEU 58 4.588 9.050 7.394 468 HB2 LEU 58 HB2 LEU 58 2.684 9.443 8.758 469 HB3 LEU 58 HB3 LEU 58 2.347 8.025 7.767 470 HG LEU 58 HG LEU 58 1.469 7.637 9.952 471 HD11 LEU 58 HD11 LEU 58 2.843 5.834 8.715 472 HD12 LEU 58 HD12 LEU 58 2.402 5.564 10.401 473 HD13 LEU 58 HD13 LEU 58 4.033 6.094 9.991 474 HD21 LEU 58 HD21 LEU 58 2.440 8.220 11.898 475 HD22 LEU 58 HD22 LEU 58 3.384 9.303 10.875 476 HD23 LEU 58 HD23 LEU 58 4.051 7.744 11.362 477 H GLU 59 H GLU 59 5.760 6.770 9.646 478 HA GLU 59 HA GLU 59 6.225 8.461 11.864 479 HB2 GLU 59 HB2 GLU 59 6.506 6.329 12.570 480 HB3 GLU 59 HB3 GLU 59 7.065 5.775 10.998 481 HG2 GLU 59 HG2 GLU 59 9.268 6.353 11.432 482 HG3 GLU 59 HG3 GLU 59 8.823 7.464 12.726 483 H LYS 60 H LYS 60 8.377 7.388 9.238 484 HA LYS 60 HA LYS 60 10.511 9.113 10.064 485 HB2 LYS 60 HB2 LYS 60 10.250 7.852 7.344 486 HB3 LYS 60 HB3 LYS 60 11.718 8.265 8.220 487 HG2 LYS 60 HG2 LYS 60 11.820 6.197 8.989 488 HG3 LYS 60 HG3 LYS 60 10.284 6.439 9.824 489 HD2 LYS 60 HD2 LYS 60 9.053 5.649 7.932 490 HD3 LYS 60 HD3 LYS 60 10.506 5.626 6.929 491 HE2 LYS 60 HE2 LYS 60 10.533 4.021 9.424 492 HE3 LYS 60 HE3 LYS 60 9.532 3.438 8.095 493 HZ1 LYS 60 HZ1 LYS 60 12.172 4.252 7.289 494 HZ2 LYS 60 HZ2 LYS 60 11.318 2.839 6.924 495 HZ3 LYS 60 HZ3 LYS 60 12.173 2.958 8.379 496 H ASP 61 H ASP 61 7.699 9.479 8.149 497 HA ASP 61 HA ASP 61 8.631 11.594 6.473 498 HB2 ASP 61 HB2 ASP 61 6.164 10.131 6.883 499 HB3 ASP 61 HB3 ASP 61 5.854 11.857 6.717 500 H GLY 62 H GLY 62 8.218 11.488 9.727 501 HA2 GLY 62 HA2 GLY 62 8.188 13.129 11.336 502 HA3 GLY 62 HA3 GLY 62 8.429 14.296 10.044 503 H ILE 63 H ILE 63 5.705 12.141 9.974 504 HA ILE 63 HA ILE 63 3.927 14.442 10.245 505 HB ILE 63 HB ILE 63 3.402 11.618 9.316 506 HG12 ILE 63 HG12 ILE 63 3.066 14.115 7.688 507 HG13 ILE 63 HG13 ILE 63 4.664 13.404 7.883 508 HG21 ILE 63 HG21 ILE 63 1.489 13.946 9.455 509 HG22 ILE 63 HG22 ILE 63 1.149 12.361 8.761 510 HG23 ILE 63 HG23 ILE 63 1.453 12.519 10.491 511 HD11 ILE 63 HD11 ILE 63 3.849 11.313 6.931 512 HD12 ILE 63 HD12 ILE 63 2.248 12.027 6.736 513 HD13 ILE 63 HD13 ILE 63 3.615 12.667 5.825 514 H THR 64 H THR 64 2.634 14.777 11.944 515 HA THR 64 HA THR 64 2.982 13.377 14.353 516 HB THR 64 HB THR 64 0.907 15.361 13.449 517 HG1 THR 64 HG1 THR 64 3.264 15.381 14.966 518 HG21 THR 64 HG21 THR 64 0.155 15.456 15.816 519 HG22 THR 64 HG22 THR 64 1.118 14.015 16.144 520 HG23 THR 64 HG23 THR 64 -0.240 13.933 15.022 521 H VAL 65 H VAL 65 2.172 11.510 15.032 522 HA VAL 65 HA VAL 65 0.176 10.127 13.475 523 HB VAL 65 HB VAL 65 1.851 8.697 14.263 524 HG11 VAL 65 HG11 VAL 65 2.006 8.688 16.982 525 HG12 VAL 65 HG12 VAL 65 3.108 9.558 15.912 526 HG13 VAL 65 HG13 VAL 65 1.741 10.399 16.647 527 HG21 VAL 65 HG21 VAL 65 0.129 7.957 16.491 528 HG22 VAL 65 HG22 VAL 65 -0.767 8.279 15.006 529 HG23 VAL 65 HG23 VAL 65 0.516 7.070 15.016 530 H VAL 66 H VAL 66 -1.890 10.690 13.713 531 HA VAL 66 HA VAL 66 -2.882 11.414 16.378 532 HB VAL 66 HB VAL 66 -4.363 11.708 13.769 533 HG11 VAL 66 HG11 VAL 66 -5.559 11.757 16.023 534 HG12 VAL 66 HG12 VAL 66 -4.725 13.287 16.297 535 HG13 VAL 66 HG13 VAL 66 -5.832 13.116 14.934 536 HG21 VAL 66 HG21 VAL 66 -2.586 13.712 15.156 537 HG22 VAL 66 HG22 VAL 66 -2.295 12.960 13.587 538 HG23 VAL 66 HG23 VAL 66 -3.651 14.068 13.796 539 H ASP 67 H ASP 67 -3.087 9.339 17.254 540 HA ASP 67 HA ASP 67 -5.060 7.585 15.953 541 HB2 ASP 67 HB2 ASP 67 -4.115 5.847 17.574 542 HB3 ASP 67 HB3 ASP 67 -3.064 6.360 16.257 543 H TRP 68 H TRP 68 -7.036 7.942 16.723 544 HA TRP 68 HA TRP 68 -7.410 7.956 19.629 545 HB2 TRP 68 HB2 TRP 68 -8.796 9.901 17.773 546 HB3 TRP 68 HB3 TRP 68 -8.987 9.798 19.521 547 HD1 TRP 68 HD1 TRP 68 -7.451 11.991 17.204 548 HE1 TRP 68 HE1 TRP 68 -5.383 13.182 18.169 549 HE3 TRP 68 HE3 TRP 68 -6.581 8.969 21.235 550 HZ2 TRP 68 HZ2 TRP 68 -3.616 12.880 20.349 551 HZ3 TRP 68 HZ3 TRP 68 -4.681 9.489 22.710 552 HH2 TRP 68 HH2 TRP 68 -3.230 11.404 22.275 553 HA PRO 69 HA PRO 69 -10.514 4.987 18.625 554 HB2 PRO 69 HB2 PRO 69 -11.852 5.009 20.987 555 HB3 PRO 69 HB3 PRO 69 -10.273 4.241 20.785 556 HG2 PRO 69 HG2 PRO 69 -10.941 6.927 21.927 557 HG3 PRO 69 HG3 PRO 69 -9.788 5.715 22.517 558 HD2 PRO 69 HD2 PRO 69 -9.017 7.891 21.101 559 HD3 PRO 69 HD3 PRO 69 -8.166 6.336 21.001 560 H PHE 70 H PHE 70 -11.106 7.311 17.368 561 HA PHE 70 HA PHE 70 -13.739 8.192 18.265 562 HB2 PHE 70 HB2 PHE 70 -11.967 9.151 16.010 563 HB3 PHE 70 HB3 PHE 70 -13.541 9.837 16.398 564 HD1 PHE 70 HD2 PHE 70 -12.264 8.935 19.446 565 HD2 PHE 70 HD1 PHE 70 -11.641 11.795 16.356 566 HE1 PHE 70 HE2 PHE 70 -11.200 10.449 21.067 567 HE2 PHE 70 HE1 PHE 70 -10.576 13.314 17.972 568 HZ PHE 70 HZ PHE 70 -10.355 12.642 20.331 569 H ASP 71 H ASP 71 -12.682 5.628 16.640 570 HA ASP 71 HA ASP 71 -15.025 5.585 14.854 571 HB2 ASP 71 HB2 ASP 71 -12.641 5.704 13.790 572 HB3 ASP 71 HB3 ASP 71 -12.553 4.003 14.236 573 H ASP 72 H ASP 72 -14.231 4.543 17.669 574 HA ASP 72 HA ASP 72 -15.369 1.867 17.254 575 HB2 ASP 72 HB2 ASP 72 -13.105 1.341 17.643 576 HB3 ASP 72 HB3 ASP 72 -12.936 2.592 18.871 577 H GLY 73 H GLY 73 -14.268 3.630 20.140 578 HA2 GLY 73 HA2 GLY 73 -17.018 4.095 20.969 579 HA3 GLY 73 HA3 GLY 73 -16.108 2.959 21.953 580 H ALA 74 H ALA 74 -13.609 4.151 21.960 581 HA ALA 74 HA ALA 74 -12.366 5.755 22.994 582 HB1 ALA 74 HB1 ALA 74 -12.720 7.797 22.191 583 HB2 ALA 74 HB2 ALA 74 -14.197 7.176 21.453 584 HB3 ALA 74 HB3 ALA 74 -14.258 7.934 23.044 585 HA PRO 75 HA PRO 75 -13.515 5.778 27.228 586 HB2 PRO 75 HB2 PRO 75 -12.277 8.004 28.170 587 HB3 PRO 75 HB3 PRO 75 -11.401 6.541 27.705 588 HG2 PRO 75 HG2 PRO 75 -11.821 9.069 26.158 589 HG3 PRO 75 HG3 PRO 75 -10.349 8.097 26.334 590 HD2 PRO 75 HD2 PRO 75 -11.931 7.960 24.141 591 HD3 PRO 75 HD3 PRO 75 -11.021 6.563 24.750 592 HA PRO 76 HA PRO 76 -17.179 8.376 27.162 593 HB2 PRO 76 HB2 PRO 76 -18.376 7.160 29.273 594 HB3 PRO 76 HB3 PRO 76 -18.372 6.473 27.645 595 HG2 PRO 76 HG2 PRO 76 -16.624 5.812 29.983 596 HG3 PRO 76 HG3 PRO 76 -17.406 4.719 28.827 597 HD2 PRO 76 HD2 PRO 76 -14.790 5.397 28.650 598 HD3 PRO 76 HD3 PRO 76 -15.787 5.055 27.221 599 HA PRO 77 HA PRO 77 -16.008 9.652 31.739 600 HB2 PRO 77 HB2 PRO 77 -13.373 9.296 32.287 601 HB3 PRO 77 HB3 PRO 77 -14.604 8.081 32.655 602 HG2 PRO 77 HG2 PRO 77 -12.717 8.224 30.335 603 HG3 PRO 77 HG3 PRO 77 -13.177 6.822 31.317 604 HD2 PRO 77 HD2 PRO 77 -14.246 7.306 28.877 605 HD3 PRO 77 HD3 PRO 77 -15.159 6.518 30.180 606 H GLY 78 H GLY 78 -15.998 11.003 29.271 607 HA2 GLY 78 HA2 GLY 78 -15.129 12.842 28.165 608 HA3 GLY 78 HA3 GLY 78 -15.030 13.465 29.805 609 H LYS 79 H LYS 79 -13.146 10.794 28.488 610 HA LYS 79 HA LYS 79 -10.705 12.176 29.245 611 HB2 LYS 79 HB2 LYS 79 -11.512 9.500 29.213 612 HB3 LYS 79 HB3 LYS 79 -10.316 9.621 27.929 613 HG2 LYS 79 HG2 LYS 79 -9.148 9.016 29.886 614 HG3 LYS 79 HG3 LYS 79 -8.791 10.720 29.599 615 HD2 LYS 79 HD2 LYS 79 -10.902 11.035 31.177 616 HD3 LYS 79 HD3 LYS 79 -10.396 9.444 31.750 617 HE2 LYS 79 HE2 LYS 79 -8.471 10.236 32.665 618 HE3 LYS 79 HE3 LYS 79 -8.289 11.504 31.454 619 HZ1 LYS 79 HZ1 LYS 79 -10.249 12.600 32.583 620 HZ2 LYS 79 HZ2 LYS 79 -8.793 12.600 33.444 621 HZ3 LYS 79 HZ3 LYS 79 -10.018 11.508 33.855 622 H VAL 80 H VAL 80 -12.481 11.345 26.384 623 HA VAL 80 HA VAL 80 -10.488 11.442 24.444 624 HB VAL 80 HB VAL 80 -13.374 12.311 24.269 625 HG11 VAL 80 HG11 VAL 80 -11.223 12.178 22.202 626 HG12 VAL 80 HG12 VAL 80 -12.891 11.817 21.754 627 HG13 VAL 80 HG13 VAL 80 -12.481 13.391 22.438 628 HG21 VAL 80 HG21 VAL 80 -12.013 9.779 23.356 629 HG22 VAL 80 HG22 VAL 80 -12.977 9.940 24.824 630 HG23 VAL 80 HG23 VAL 80 -13.734 10.146 23.245 631 H VAL 81 H VAL 81 -12.251 14.050 26.029 632 HA VAL 81 HA VAL 81 -11.629 16.214 24.466 633 HB VAL 81 HB VAL 81 -11.860 17.614 26.395 634 HG11 VAL 81 HG11 VAL 81 -14.021 17.124 26.760 635 HG12 VAL 81 HG12 VAL 81 -13.743 15.819 25.605 636 HG13 VAL 81 HG13 VAL 81 -13.659 15.497 27.337 637 HG21 VAL 81 HG21 VAL 81 -11.193 15.127 27.946 638 HG22 VAL 81 HG22 VAL 81 -10.369 16.687 27.965 639 HG23 VAL 81 HG23 VAL 81 -11.967 16.525 28.692 640 H GLU 82 H GLU 82 -9.589 14.698 26.940 641 HA GLU 82 HA GLU 82 -7.475 16.499 26.929 642 HB2 GLU 82 HB2 GLU 82 -7.758 13.606 27.578 643 HB3 GLU 82 HB3 GLU 82 -6.131 14.249 27.403 644 HG2 GLU 82 HG2 GLU 82 -6.271 15.511 29.280 645 HG3 GLU 82 HG3 GLU 82 -8.008 15.766 29.115 646 H ASP 83 H ASP 83 -7.897 13.572 24.950 647 HA ASP 83 HA ASP 83 -5.516 13.932 23.456 648 HB2 ASP 83 HB2 ASP 83 -8.001 12.393 22.674 649 HB3 ASP 83 HB3 ASP 83 -6.391 12.198 21.986 650 H TRP 84 H TRP 84 -8.800 15.069 23.076 651 HA TRP 84 HA TRP 84 -8.709 15.849 20.389 652 HB2 TRP 84 HB2 TRP 84 -10.588 15.943 22.391 653 HB3 TRP 84 HB3 TRP 84 -10.229 17.649 22.138 654 HD1 TRP 84 HD1 TRP 84 -12.680 15.322 21.072 655 HE1 TRP 84 HE1 TRP 84 -13.628 15.863 18.741 656 HE3 TRP 84 HE3 TRP 84 -9.061 18.550 19.452 657 HZ2 TRP 84 HZ2 TRP 84 -12.934 17.447 16.511 658 HZ3 TRP 84 HZ3 TRP 84 -9.278 19.534 17.207 659 HH2 TRP 84 HH2 TRP 84 -11.174 18.992 15.768 660 H LEU 85 H LEU 85 -8.512 18.067 23.176 661 HA LEU 85 HA LEU 85 -7.536 20.253 21.766 662 HB2 LEU 85 HB2 LEU 85 -7.068 19.509 24.649 663 HB3 LEU 85 HB3 LEU 85 -6.765 21.099 23.953 664 HG LEU 85 HG LEU 85 -8.806 21.616 24.692 665 HD11 LEU 85 HD11 LEU 85 -10.591 21.223 23.189 666 HD12 LEU 85 HD12 LEU 85 -9.866 19.724 22.607 667 HD13 LEU 85 HD13 LEU 85 -9.120 21.273 22.216 668 HD21 LEU 85 HD21 LEU 85 -9.896 20.215 26.036 669 HD22 LEU 85 HD22 LEU 85 -8.677 19.011 25.620 670 HD23 LEU 85 HD23 LEU 85 -10.197 19.072 24.727 671 H SER 86 H SER 86 -5.769 17.687 23.453 672 HA SER 86 HA SER 86 -3.192 18.644 23.263 673 HB2 SER 86 HB2 SER 86 -4.322 15.859 23.193 674 HB3 SER 86 HB3 SER 86 -2.586 16.125 23.029 675 HG SER 86 HG SER 86 -3.994 17.343 25.133 676 H LEU 87 H LEU 87 -4.825 16.532 20.897 677 HA LEU 87 HA LEU 87 -2.793 16.540 18.982 678 HB2 LEU 87 HB2 LEU 87 -4.354 14.929 18.563 679 HB3 LEU 87 HB3 LEU 87 -5.708 15.980 18.972 680 HG LEU 87 HG LEU 87 -5.250 17.174 16.774 681 HD11 LEU 87 HD11 LEU 87 -3.159 16.552 16.061 682 HD12 LEU 87 HD12 LEU 87 -4.174 15.458 15.122 683 HD13 LEU 87 HD13 LEU 87 -3.360 14.877 16.574 684 HD21 LEU 87 HD21 LEU 87 -6.149 14.970 15.525 685 HD22 LEU 87 HD22 LEU 87 -7.154 15.979 16.566 686 HD23 LEU 87 HD23 LEU 87 -6.426 14.503 17.203 687 H VAL 88 H VAL 88 -5.856 18.364 18.786 688 HA VAL 88 HA VAL 88 -5.224 19.988 16.657 689 HB VAL 88 HB VAL 88 -7.445 19.816 17.901 690 HG11 VAL 88 HG11 VAL 88 -6.177 21.998 19.554 691 HG12 VAL 88 HG12 VAL 88 -7.868 21.498 19.618 692 HG13 VAL 88 HG13 VAL 88 -6.597 20.383 20.124 693 HG21 VAL 88 HG21 VAL 88 -6.980 21.341 15.999 694 HG22 VAL 88 HG22 VAL 88 -8.177 21.975 17.128 695 HG23 VAL 88 HG23 VAL 88 -6.524 22.590 17.158 696 H LYS 89 H LYS 89 -4.045 20.142 19.904 697 HA LYS 89 HA LYS 89 -3.016 22.842 19.609 698 HB2 LYS 89 HB2 LYS 89 -3.042 20.821 21.826 699 HB3 LYS 89 HB3 LYS 89 -1.952 22.200 21.901 700 HG2 LYS 89 HG2 LYS 89 -3.856 23.719 21.730 701 HG3 LYS 89 HG3 LYS 89 -4.951 22.337 21.650 702 HD2 LYS 89 HD2 LYS 89 -4.872 23.271 23.906 703 HD3 LYS 89 HD3 LYS 89 -4.225 21.629 23.875 704 HE2 LYS 89 HE2 LYS 89 -2.159 23.597 23.399 705 HE3 LYS 89 HE3 LYS 89 -2.998 23.900 24.920 706 HZ1 LYS 89 HZ1 LYS 89 -1.551 22.394 25.699 707 HZ2 LYS 89 HZ2 LYS 89 -1.245 21.717 24.179 708 HZ3 LYS 89 HZ3 LYS 89 -2.623 21.259 25.047 709 H ALA 90 H ALA 90 -1.963 19.592 19.169 710 HA ALA 90 HA ALA 90 0.860 20.297 19.214 711 HB1 ALA 90 HB1 ALA 90 0.152 18.151 20.153 712 HB2 ALA 90 HB2 ALA 90 -0.470 17.666 18.575 713 HB3 ALA 90 HB3 ALA 90 1.259 17.931 18.797 714 H LYS 91 H LYS 91 -1.312 18.731 16.851 715 HA LYS 91 HA LYS 91 0.265 18.760 14.634 716 HB2 LYS 91 HB2 LYS 91 -1.950 19.206 13.358 717 HB3 LYS 91 HB3 LYS 91 -1.806 17.749 14.332 718 HG2 LYS 91 HG2 LYS 91 -3.681 18.335 15.350 719 HG3 LYS 91 HG3 LYS 91 -2.806 19.689 16.068 720 HD2 LYS 91 HD2 LYS 91 -3.752 20.080 13.299 721 HD3 LYS 91 HD3 LYS 91 -5.006 19.970 14.537 722 HE2 LYS 91 HE2 LYS 91 -3.157 21.638 15.692 723 HE3 LYS 91 HE3 LYS 91 -3.081 22.098 13.992 724 HZ1 LYS 91 HZ1 LYS 91 -5.075 22.697 15.902 725 HZ2 LYS 91 HZ2 LYS 91 -5.764 21.843 14.616 726 HZ3 LYS 91 HZ3 LYS 91 -4.911 23.274 14.320 727 H PHE 92 H PHE 92 -1.386 21.486 16.087 728 HA PHE 92 HA PHE 92 -0.664 23.258 13.902 729 HB2 PHE 92 HB2 PHE 92 -2.706 23.946 14.695 730 HB3 PHE 92 HB3 PHE 92 -2.345 23.465 16.350 731 HD1 PHE 92 HD1 PHE 92 -1.201 25.943 13.805 732 HD2 PHE 92 HD2 PHE 92 -2.025 25.124 17.900 733 HE1 PHE 92 HE1 PHE 92 -0.702 28.285 14.370 734 HE2 PHE 92 HE2 PHE 92 -1.528 27.465 18.472 735 HZ PHE 92 HZ PHE 92 -0.866 29.049 16.706 736 H CYS 93 H CYS 93 0.334 22.533 17.183 737 HA CYS 93 HA CYS 93 2.150 24.760 17.350 738 HB2 CYS 93 HB2 CYS 93 1.089 23.859 19.370 739 HB3 CYS 93 HB3 CYS 93 1.877 22.309 19.103 740 HG CYS 93 HG CYS 93 3.346 23.306 21.118 741 H GLU 94 H GLU 94 2.228 21.721 15.895 742 HA GLU 94 HA GLU 94 5.151 21.537 16.039 743 HB2 GLU 94 HB2 GLU 94 4.884 19.296 15.095 744 HB3 GLU 94 HB3 GLU 94 3.908 19.490 16.545 745 HG2 GLU 94 HG2 GLU 94 2.189 18.724 15.387 746 HG3 GLU 94 HG3 GLU 94 2.222 20.227 14.466 747 H ALA 95 H ALA 95 2.501 22.073 13.822 748 HA ALA 95 HA ALA 95 4.464 22.598 11.685 749 HB1 ALA 95 HB1 ALA 95 2.750 21.937 10.055 750 HB2 ALA 95 HB2 ALA 95 3.169 20.617 11.148 751 HB3 ALA 95 HB3 ALA 95 1.667 21.511 11.381 752 HA PRO 96 HA PRO 96 2.903 26.695 11.425 753 HB2 PRO 96 HB2 PRO 96 3.251 27.211 8.782 754 HB3 PRO 96 HB3 PRO 96 4.594 27.111 9.927 755 HG2 PRO 96 HG2 PRO 96 3.581 25.047 8.010 756 HG3 PRO 96 HG3 PRO 96 5.254 25.500 8.385 757 HD2 PRO 96 HD2 PRO 96 4.068 23.305 9.438 758 HD3 PRO 96 HD3 PRO 96 5.295 24.241 10.315 759 H GLY 97 H GLY 97 0.684 26.120 11.915 760 HA2 GLY 97 HA2 GLY 97 -1.570 25.987 11.475 761 HA3 GLY 97 HA3 GLY 97 -1.201 27.110 10.175 762 H SER 98 H SER 98 0.245 23.965 10.150 763 HA SER 98 HA SER 98 -0.688 23.332 7.592 764 HB2 SER 98 HB2 SER 98 0.501 21.652 9.795 765 HB3 SER 98 HB3 SER 98 0.037 20.953 8.243 766 HG SER 98 HG SER 98 1.769 23.183 8.487 767 H CYS 99 H CYS 99 -1.658 20.811 7.542 768 HA CYS 99 HA CYS 99 -4.330 21.145 8.720 769 HB2 CYS 99 HB2 CYS 99 -3.390 19.602 6.299 770 HB3 CYS 99 HB3 CYS 99 -5.018 19.474 6.954 771 HG CYS 99 HG CYS 99 -4.282 21.341 4.612 772 H VAL 100 H VAL 100 -5.462 19.175 9.402 773 HA VAL 100 HA VAL 100 -3.596 17.172 10.499 774 HB VAL 100 HB VAL 100 -6.020 17.198 11.997 775 HG11 VAL 100 HG11 VAL 100 -4.472 17.715 13.856 776 HG12 VAL 100 HG12 VAL 100 -3.908 16.389 12.838 777 HG13 VAL 100 HG13 VAL 100 -3.192 17.993 12.677 778 HG21 VAL 100 HG21 VAL 100 -6.369 19.475 11.272 779 HG22 VAL 100 HG22 VAL 100 -5.878 19.470 12.965 780 HG23 VAL 100 HG23 VAL 100 -4.715 19.903 11.712 781 H ALA 101 H ALA 101 -3.822 15.351 9.375 782 HA ALA 101 HA ALA 101 -6.291 14.651 8.070 783 HB1 ALA 101 HB1 ALA 101 -4.147 12.633 8.288 784 HB2 ALA 101 HB2 ALA 101 -5.074 13.161 6.883 785 HB3 ALA 101 HB3 ALA 101 -3.727 14.137 7.469 786 H VAL 102 H VAL 102 -7.912 13.566 8.958 787 HA VAL 102 HA VAL 102 -7.338 11.660 11.122 788 HB VAL 102 HB VAL 102 -9.248 12.377 12.394 789 HG11 VAL 102 HG11 VAL 102 -7.019 13.608 12.556 790 HG12 VAL 102 HG12 VAL 102 -7.813 14.915 11.676 791 HG13 VAL 102 HG13 VAL 102 -8.433 14.404 13.247 792 HG21 VAL 102 HG21 VAL 102 -10.330 14.622 11.567 793 HG22 VAL 102 HG22 VAL 102 -9.798 14.047 9.987 794 HG23 VAL 102 HG23 VAL 102 -10.899 13.068 10.956 795 H HIS 103 H HIS 103 -8.730 9.887 11.262 796 HA HIS 103 HA HIS 103 -10.131 9.282 8.781 797 HB2 HIS 103 HB2 HIS 103 -8.576 7.612 9.667 798 HB3 HIS 103 HB3 HIS 103 -9.493 7.535 11.169 799 HD1 HIS 103 HD1 HIS 103 -9.384 6.206 7.733 800 HD2 HIS 103 HD2 HIS 103 -12.054 6.271 10.916 801 HE1 HIS 103 HE1 HIS 103 -11.112 4.459 7.198 802 H CYS 104 H CYS 104 -12.284 8.497 8.721 803 HA CYS 104 HA CYS 104 -13.923 8.792 11.102 804 HB2 CYS 104 HB2 CYS 104 -14.093 10.594 8.714 805 HB3 CYS 104 HB3 CYS 104 -15.557 10.194 9.604 806 HG CYS 104 HG CYS 104 -15.159 11.723 11.664 807 H VAL 105 H VAL 105 -15.470 7.288 11.158 808 HA VAL 105 HA VAL 105 -15.655 5.264 9.239 809 HB VAL 105 HB VAL 105 -16.377 4.630 11.357 810 HG11 VAL 105 HG11 VAL 105 -17.371 7.320 11.485 811 HG12 VAL 105 HG12 VAL 105 -18.607 6.187 12.037 812 HG13 VAL 105 HG13 VAL 105 -17.015 6.196 12.797 813 HG21 VAL 105 HG21 VAL 105 -18.305 3.561 10.870 814 HG22 VAL 105 HG22 VAL 105 -19.136 5.045 10.405 815 HG23 VAL 105 HG23 VAL 105 -18.044 4.254 9.269 816 H ALA 106 H ALA 106 -18.591 6.989 10.128 817 HA ALA 106 HA ALA 106 -19.216 7.257 7.262 818 HB1 ALA 106 HB1 ALA 106 -20.650 5.974 9.257 819 HB2 ALA 106 HB2 ALA 106 -21.500 7.502 9.024 820 HB3 ALA 106 HB3 ALA 106 -21.241 6.420 7.656 821 H GLY 107 H GLY 107 -19.000 8.914 10.319 822 HA2 GLY 107 HA2 GLY 107 -18.431 11.328 10.056 823 HA3 GLY 107 HA3 GLY 107 -19.806 11.415 8.964 824 H LEU 108 H LEU 108 -21.823 11.716 9.775 825 HA LEU 108 HA LEU 108 -22.991 12.932 11.475 826 HB2 LEU 108 HB2 LEU 108 -23.136 10.006 12.184 827 HB3 LEU 108 HB3 LEU 108 -24.335 11.237 12.575 828 HG LEU 108 HG LEU 108 -23.635 10.357 9.776 829 HD11 LEU 108 HD11 LEU 108 -25.956 9.588 11.539 830 HD12 LEU 108 HD12 LEU 108 -24.665 8.526 10.977 831 HD13 LEU 108 HD13 LEU 108 -25.809 9.209 9.822 832 HD21 LEU 108 HD21 LEU 108 -24.648 12.277 9.255 833 HD22 LEU 108 HD22 LEU 108 -25.246 12.511 10.898 834 HD23 LEU 108 HD23 LEU 108 -26.138 11.487 9.772 835 H GLY 109 H GLY 109 -23.335 11.189 14.016 836 HA2 GLY 109 HA2 GLY 109 -22.578 12.339 16.099 837 HA3 GLY 109 HA3 GLY 109 -21.837 10.757 15.907 838 H ARG 110 H ARG 110 -19.665 10.599 15.341 839 HA ARG 110 HA ARG 110 -17.798 12.120 16.421 840 HB2 ARG 110 HB2 ARG 110 -17.734 10.767 13.739 841 HB3 ARG 110 HB3 ARG 110 -16.321 11.616 14.351 842 HG2 ARG 110 HG2 ARG 110 -15.757 9.758 15.413 843 HG3 ARG 110 HG3 ARG 110 -17.164 9.988 16.453 844 HD2 ARG 110 HD2 ARG 110 -18.396 8.864 14.391 845 HD3 ARG 110 HD3 ARG 110 -16.790 8.188 14.120 846 HE ARG 110 HE ARG 110 -17.229 7.689 16.738 847 HH11 ARG 110 HH11 ARG 110 -19.079 7.083 13.852 848 HH12 ARG 110 HH12 ARG 110 -19.837 5.658 14.480 849 HH21 ARG 110 HH21 ARG 110 -18.220 5.813 17.576 850 HH22 ARG 110 HH22 ARG 110 -19.348 4.936 16.599 851 H ALA 111 H ALA 111 -18.992 12.792 13.129 852 HA ALA 111 HA ALA 111 -17.611 14.972 12.391 853 HB1 ALA 111 HB1 ALA 111 -19.170 14.542 10.817 854 HB2 ALA 111 HB2 ALA 111 -20.417 14.153 12.002 855 HB3 ALA 111 HB3 ALA 111 -20.041 15.837 11.639 856 HA PRO 112 HA PRO 112 -20.143 18.238 14.770 857 HB2 PRO 112 HB2 PRO 112 -22.414 17.478 16.049 858 HB3 PRO 112 HB3 PRO 112 -22.381 17.942 14.344 859 HG2 PRO 112 HG2 PRO 112 -22.385 15.208 15.564 860 HG3 PRO 112 HG3 PRO 112 -23.296 15.811 14.167 861 HD2 PRO 112 HD2 PRO 112 -21.042 14.334 13.908 862 HD3 PRO 112 HD3 PRO 112 -21.499 15.590 12.741 863 H VAL 113 H VAL 113 -20.422 15.089 16.394 864 HA VAL 113 HA VAL 113 -20.256 15.919 19.033 865 HB VAL 113 HB VAL 113 -19.264 13.401 17.708 866 HG11 VAL 113 HG11 VAL 113 -17.881 13.623 19.627 867 HG12 VAL 113 HG12 VAL 113 -19.241 14.136 20.629 868 HG13 VAL 113 HG13 VAL 113 -19.152 12.474 20.043 869 HG21 VAL 113 HG21 VAL 113 -21.232 12.565 19.234 870 HG22 VAL 113 HG22 VAL 113 -21.739 14.252 19.137 871 HG23 VAL 113 HG23 VAL 113 -21.558 13.299 17.664 872 H LEU 114 H LEU 114 -17.549 14.806 16.988 873 HA LEU 114 HA LEU 114 -15.518 15.451 18.808 874 HB2 LEU 114 HB2 LEU 114 -15.548 15.125 15.823 875 HB3 LEU 114 HB3 LEU 114 -14.070 15.504 16.704 876 HG LEU 114 HG LEU 114 -15.754 13.019 17.013 877 HD11 LEU 114 HD11 LEU 114 -14.360 13.213 14.944 878 HD12 LEU 114 HD12 LEU 114 -13.942 11.859 15.993 879 HD13 LEU 114 HD13 LEU 114 -12.939 13.309 15.984 880 HD21 LEU 114 HD21 LEU 114 -14.837 13.587 19.150 881 HD22 LEU 114 HD22 LEU 114 -13.256 13.920 18.441 882 HD23 LEU 114 HD23 LEU 114 -13.880 12.269 18.474 883 H VAL 115 H VAL 115 -16.402 17.218 15.833 884 HA VAL 115 HA VAL 115 -14.842 19.454 16.187 885 HB VAL 115 HB VAL 115 -16.366 20.663 14.753 886 HG11 VAL 115 HG11 VAL 115 -16.847 18.474 13.164 887 HG12 VAL 115 HG12 VAL 115 -15.346 19.401 13.215 888 HG13 VAL 115 HG13 VAL 115 -15.512 17.936 14.183 889 HG21 VAL 115 HG21 VAL 115 -18.531 19.520 14.078 890 HG22 VAL 115 HG22 VAL 115 -18.315 18.498 15.499 891 HG23 VAL 115 HG23 VAL 115 -18.491 20.242 15.686 892 H ALA 116 H ALA 116 -17.911 18.673 17.698 893 HA ALA 116 HA ALA 116 -18.500 21.210 18.766 894 HB1 ALA 116 HB1 ALA 116 -19.780 19.768 20.501 895 HB2 ALA 116 HB2 ALA 116 -20.288 19.744 18.812 896 HB3 ALA 116 HB3 ALA 116 -19.320 18.420 19.461 897 H LEU 117 H LEU 117 -16.721 18.450 20.115 898 HA LEU 117 HA LEU 117 -16.251 19.490 22.662 899 HB2 LEU 117 HB2 LEU 117 -15.807 17.143 21.757 900 HB3 LEU 117 HB3 LEU 117 -14.278 17.790 21.165 901 HG LEU 117 HG LEU 117 -14.118 16.548 23.321 902 HD11 LEU 117 HD11 LEU 117 -12.559 18.403 22.544 903 HD12 LEU 117 HD12 LEU 117 -12.542 18.006 24.262 904 HD13 LEU 117 HD13 LEU 117 -13.400 19.439 23.697 905 HD21 LEU 117 HD21 LEU 117 -16.363 18.030 23.997 906 HD22 LEU 117 HD22 LEU 117 -15.064 18.743 24.955 907 HD23 LEU 117 HD23 LEU 117 -15.404 17.016 25.076 908 H ALA 118 H ALA 118 -14.124 19.583 19.802 909 HA ALA 118 HA ALA 118 -12.165 21.236 20.998 910 HB1 ALA 118 HB1 ALA 118 -12.580 21.235 18.047 911 HB2 ALA 118 HB2 ALA 118 -11.081 21.187 18.975 912 HB3 ALA 118 HB3 ALA 118 -12.086 19.743 18.847 913 H LEU 119 H LEU 119 -15.006 21.923 19.016 914 HA LEU 119 HA LEU 119 -14.580 24.611 18.482 915 HB2 LEU 119 HB2 LEU 119 -16.375 23.568 17.395 916 HB3 LEU 119 HB3 LEU 119 -17.075 23.003 18.911 917 HG LEU 119 HG LEU 119 -17.906 25.163 19.434 918 HD11 LEU 119 HD11 LEU 119 -17.438 26.952 17.506 919 HD12 LEU 119 HD12 LEU 119 -15.932 26.041 17.416 920 HD13 LEU 119 HD13 LEU 119 -16.418 26.792 18.936 921 HD21 LEU 119 HD21 LEU 119 -18.349 24.820 16.474 922 HD22 LEU 119 HD22 LEU 119 -19.437 25.556 17.652 923 HD23 LEU 119 HD23 LEU 119 -19.125 23.820 17.703 924 H ILE 120 H ILE 120 -16.225 23.148 21.276 925 HA ILE 120 HA ILE 120 -16.869 25.534 22.593 926 HB ILE 120 HB ILE 120 -16.645 22.691 23.386 927 HG12 ILE 120 HG12 ILE 120 -18.900 23.100 24.220 928 HG13 ILE 120 HG13 ILE 120 -18.703 24.831 23.971 929 HG21 ILE 120 HG21 ILE 120 -15.430 23.503 25.218 930 HG22 ILE 120 HG22 ILE 120 -16.415 24.960 25.336 931 HG23 ILE 120 HG23 ILE 120 -17.092 23.398 25.798 932 HD11 ILE 120 HD11 ILE 120 -18.744 22.728 21.820 933 HD12 ILE 120 HD12 ILE 120 -20.050 23.845 22.218 934 HD13 ILE 120 HD13 ILE 120 -18.532 24.460 21.564 935 H GLU 121 H GLU 121 -14.086 23.360 23.084 936 HA GLU 121 HA GLU 121 -12.811 24.947 25.025 937 HB2 GLU 121 HB2 GLU 121 -11.604 22.976 23.075 938 HB3 GLU 121 HB3 GLU 121 -10.795 23.622 24.497 939 HG2 GLU 121 HG2 GLU 121 -13.396 22.383 25.029 940 HG3 GLU 121 HG3 GLU 121 -12.162 21.284 24.414 941 H SER 122 H SER 122 -13.063 25.267 21.617 942 HA SER 122 HA SER 122 -10.693 26.735 21.119 943 HB2 SER 122 HB2 SER 122 -11.403 26.621 18.993 944 HB3 SER 122 HB3 SER 122 -12.811 25.742 19.588 945 HG SER 122 HG SER 122 -13.971 27.401 19.066 946 H GLY 123 H GLY 123 -13.647 27.545 22.648 947 HA2 GLY 123 HA2 GLY 123 -13.437 29.650 23.987 948 HA3 GLY 123 HA3 GLY 123 -12.960 30.415 22.478 949 H MET 124 H MET 124 -15.441 27.998 22.439 950 HA MET 124 HA MET 124 -17.451 30.120 22.064 951 HB2 MET 124 HB2 MET 124 -16.633 28.184 20.234 952 HB3 MET 124 HB3 MET 124 -18.157 27.571 20.862 953 HG2 MET 124 HG2 MET 124 -18.814 28.821 19.040 954 HG3 MET 124 HG3 MET 124 -19.053 29.935 20.384 955 HE1 MET 124 HE1 MET 124 -17.920 32.688 18.072 956 HE2 MET 124 HE2 MET 124 -19.031 31.387 17.642 957 HE3 MET 124 HE3 MET 124 -19.078 32.089 19.261 958 H LYS 125 H LYS 125 -19.586 29.696 22.791 959 HA LYS 125 HA LYS 125 -19.704 28.318 25.271 960 HB2 LYS 125 HB2 LYS 125 -22.277 28.938 24.002 961 HB3 LYS 125 HB3 LYS 125 -21.647 29.426 25.570 962 HG2 LYS 125 HG2 LYS 125 -20.130 30.999 24.129 963 HG3 LYS 125 HG3 LYS 125 -21.398 30.765 22.924 964 HD2 LYS 125 HD2 LYS 125 -23.067 31.481 24.619 965 HD3 LYS 125 HD3 LYS 125 -21.738 31.829 25.727 966 HE2 LYS 125 HE2 LYS 125 -21.644 33.041 23.017 967 HE3 LYS 125 HE3 LYS 125 -22.808 33.693 24.169 968 HZ1 LYS 125 HZ1 LYS 125 -20.479 34.712 24.089 969 HZ2 LYS 125 HZ2 LYS 125 -19.978 33.327 24.920 970 HZ3 LYS 125 HZ3 LYS 125 -21.133 34.354 25.608 971 H TYR 126 H TYR 126 -20.933 26.491 25.846 972 HA TYR 126 HA TYR 126 -20.798 24.335 24.043 973 HB2 TYR 126 HB2 TYR 126 -20.807 23.436 26.115 974 HB3 TYR 126 HB3 TYR 126 -21.726 24.774 26.796 975 HD1 TYR 126 HD2 TYR 126 -22.217 21.834 24.540 976 HD2 TYR 126 HD1 TYR 126 -23.869 24.351 27.546 977 HE1 TYR 126 HE2 TYR 126 -24.218 20.406 24.627 978 HE2 TYR 126 HE1 TYR 126 -25.875 22.930 27.642 979 HH TYR 126 HH TYR 126 -27.059 21.328 26.372 980 H GLU 127 H GLU 127 -23.616 26.118 25.301 981 HA GLU 127 HA GLU 127 -25.545 24.750 23.781 982 HB2 GLU 127 HB2 GLU 127 -25.567 27.523 24.976 983 HB3 GLU 127 HB3 GLU 127 -26.972 26.773 24.233 984 HG2 GLU 127 HG2 GLU 127 -26.182 24.857 26.005 985 HG3 GLU 127 HG3 GLU 127 -25.782 26.344 26.862 986 H ASP 128 H ASP 128 -23.989 27.903 23.211 987 HA ASP 128 HA ASP 128 -25.198 28.576 20.827 988 HB2 ASP 128 HB2 ASP 128 -23.202 29.655 22.347 989 HB3 ASP 128 HB3 ASP 128 -22.312 29.154 20.912 990 H ALA 129 H ALA 129 -22.084 26.866 21.173 991 HA ALA 129 HA ALA 129 -21.671 26.317 18.479 992 HB1 ALA 129 HB1 ALA 129 -20.656 25.249 21.029 993 HB2 ALA 129 HB2 ALA 129 -20.489 24.186 19.632 994 HB3 ALA 129 HB3 ALA 129 -19.784 25.802 19.599 995 H ILE 130 H ILE 130 -23.233 24.281 20.948 996 HA ILE 130 HA ILE 130 -23.814 22.076 19.374 997 HB ILE 130 HB ILE 130 -25.313 23.259 21.703 998 HG12 ILE 130 HG12 ILE 130 -23.708 22.231 22.876 999 HG13 ILE 130 HG13 ILE 130 -24.278 20.690 22.242 1000 HG21 ILE 130 HG21 ILE 130 -26.489 21.054 21.818 1001 HG22 ILE 130 HG22 ILE 130 -26.962 22.070 20.458 1002 HG23 ILE 130 HG23 ILE 130 -25.871 20.708 20.203 1003 HD11 ILE 130 HD11 ILE 130 -22.763 20.950 20.326 1004 HD12 ILE 130 HD12 ILE 130 -22.163 22.452 21.030 1005 HD13 ILE 130 HD13 ILE 130 -21.911 20.922 21.870 1006 H GLN 131 H GLN 131 -25.992 24.812 20.087 1007 HA GLN 131 HA GLN 131 -28.114 24.110 18.487 1008 HB2 GLN 131 HB2 GLN 131 -26.996 26.772 19.300 1009 HB3 GLN 131 HB3 GLN 131 -28.377 26.687 18.214 1010 HG2 GLN 131 HG2 GLN 131 -28.488 26.728 20.944 1011 HG3 GLN 131 HG3 GLN 131 -29.781 26.205 19.866 1012 HE21 GLN 131 HE21 GLN 131 -27.394 25.242 22.148 1013 HE22 GLN 131 HE22 GLN 131 -27.843 23.577 22.244 1014 H PHE 132 H PHE 132 -25.076 25.606 17.556 1015 HA PHE 132 HA PHE 132 -25.782 26.326 14.928 1016 HB2 PHE 132 HB2 PHE 132 -23.709 27.020 16.260 1017 HB3 PHE 132 HB3 PHE 132 -23.017 25.475 15.777 1018 HD1 PHE 132 HD1 PHE 132 -25.113 27.874 13.855 1019 HD2 PHE 132 HD2 PHE 132 -21.328 25.973 14.281 1020 HE1 PHE 132 HE1 PHE 132 -24.376 28.874 11.732 1021 HE2 PHE 132 HE2 PHE 132 -20.584 26.972 12.159 1022 HZ PHE 132 HZ PHE 132 -22.108 28.425 10.882 1023 H ILE 133 H ILE 133 -23.641 23.630 15.855 1024 HA ILE 133 HA ILE 133 -23.857 22.303 13.385 1025 HB ILE 133 HB ILE 133 -22.880 20.353 14.535 1026 HG12 ILE 133 HG12 ILE 133 -22.778 21.947 17.073 1027 HG13 ILE 133 HG13 ILE 133 -24.200 20.975 16.711 1028 HG21 ILE 133 HG21 ILE 133 -21.018 21.470 14.053 1029 HG22 ILE 133 HG22 ILE 133 -21.772 23.017 14.432 1030 HG23 ILE 133 HG23 ILE 133 -21.030 22.061 15.715 1031 HD11 ILE 133 HD11 ILE 133 -21.555 19.665 16.486 1032 HD12 ILE 133 HD12 ILE 133 -22.162 20.034 18.101 1033 HD13 ILE 133 HD13 ILE 133 -23.106 19.014 17.015 1034 H ARG 134 H ARG 134 -25.956 22.418 16.097 1035 HA ARG 134 HA ARG 134 -27.315 19.939 15.471 1036 HB2 ARG 134 HB2 ARG 134 -27.099 20.702 17.806 1037 HB3 ARG 134 HB3 ARG 134 -28.050 22.129 17.421 1038 HG2 ARG 134 HG2 ARG 134 -29.978 20.745 16.928 1039 HG3 ARG 134 HG3 ARG 134 -29.029 19.288 17.232 1040 HD2 ARG 134 HD2 ARG 134 -28.635 20.153 19.556 1041 HD3 ARG 134 HD3 ARG 134 -29.804 21.426 19.208 1042 HE ARG 134 HE ARG 134 -30.897 18.864 18.667 1043 HH11 ARG 134 HH11 ARG 134 -30.079 21.026 21.270 1044 HH12 ARG 134 HH12 ARG 134 -31.274 20.387 22.350 1045 HH21 ARG 134 HH21 ARG 134 -32.474 18.014 20.080 1046 HH22 ARG 134 HH22 ARG 134 -32.635 18.674 21.672 1047 H GLN 135 H GLN 135 -27.546 23.270 14.638 1048 HA GLN 135 HA GLN 135 -30.312 23.169 13.832 1049 HB2 GLN 135 HB2 GLN 135 -29.920 25.344 14.294 1050 HB3 GLN 135 HB3 GLN 135 -28.194 25.200 13.986 1051 HG2 GLN 135 HG2 GLN 135 -29.184 26.743 12.428 1052 HG3 GLN 135 HG3 GLN 135 -28.628 25.304 11.576 1053 HE21 GLN 135 HE21 GLN 135 -30.163 26.351 9.989 1054 HE22 GLN 135 HE22 GLN 135 -31.809 25.830 10.048 1055 H LYS 136 H LYS 136 -27.156 23.043 12.258 1056 HA LYS 136 HA LYS 136 -27.957 23.200 9.600 1057 HB2 LYS 136 HB2 LYS 136 -25.864 22.080 9.054 1058 HB3 LYS 136 HB3 LYS 136 -25.607 23.260 10.332 1059 HG2 LYS 136 HG2 LYS 136 -24.922 21.709 11.778 1060 HG3 LYS 136 HG3 LYS 136 -26.220 20.596 11.338 1061 HD2 LYS 136 HD2 LYS 136 -24.035 19.641 10.819 1062 HD3 LYS 136 HD3 LYS 136 -24.967 19.922 9.346 1063 HE2 LYS 136 HE2 LYS 136 -23.622 21.660 8.667 1064 HE3 LYS 136 HE3 LYS 136 -23.108 22.044 10.309 1065 HZ1 LYS 136 HZ1 LYS 136 -21.259 20.939 9.832 1066 HZ2 LYS 136 HZ2 LYS 136 -21.897 20.309 8.397 1067 HZ3 LYS 136 HZ3 LYS 136 -22.170 19.514 9.865 1068 H ARG 137 H ARG 137 -28.451 20.698 11.893 1069 HA ARG 137 HA ARG 137 -29.887 19.138 9.913 1070 HB2 ARG 137 HB2 ARG 137 -27.293 18.424 10.389 1071 HB3 ARG 137 HB3 ARG 137 -28.147 17.444 11.574 1072 HG2 ARG 137 HG2 ARG 137 -28.222 15.998 9.842 1073 HG3 ARG 137 HG3 ARG 137 -29.668 16.930 9.447 1074 HD2 ARG 137 HD2 ARG 137 -27.008 17.795 8.398 1075 HD3 ARG 137 HD3 ARG 137 -27.862 16.464 7.620 1076 HE ARG 137 HE ARG 137 -29.688 18.522 7.857 1077 HH11 ARG 137 HH11 ARG 137 -26.621 17.995 6.296 1078 HH12 ARG 137 HH12 ARG 137 -26.948 19.092 4.995 1079 HH21 ARG 137 HH21 ARG 137 -30.130 19.968 6.149 1080 HH22 ARG 137 HH22 ARG 137 -28.943 20.214 4.913 1081 H ARG 138 H ARG 138 -30.084 16.811 11.593 1082 HA ARG 138 HA ARG 138 -31.694 17.931 13.793 1083 HB2 ARG 138 HB2 ARG 138 -32.224 15.793 11.817 1084 HB3 ARG 138 HB3 ARG 138 -32.745 15.463 13.463 1085 HG2 ARG 138 HG2 ARG 138 -34.535 16.442 12.132 1086 HG3 ARG 138 HG3 ARG 138 -34.076 17.495 13.472 1087 HD2 ARG 138 HD2 ARG 138 -33.120 19.062 12.092 1088 HD3 ARG 138 HD3 ARG 138 -32.761 17.885 10.829 1089 HE ARG 138 HE ARG 138 -34.795 18.338 9.897 1090 HH11 ARG 138 HH11 ARG 138 -34.808 19.432 13.202 1091 HH12 ARG 138 HH12 ARG 138 -36.359 20.195 13.080 1092 HH21 ARG 138 HH21 ARG 138 -36.837 19.338 9.724 1093 HH22 ARG 138 HH22 ARG 138 -37.513 20.140 11.102 1094 H GLY 139 H GLY 139 -30.702 17.648 15.680 1095 HA2 GLY 139 HA2 GLY 139 -29.436 16.712 17.355 1096 HA3 GLY 139 HA3 GLY 139 -30.202 15.209 16.863 1097 H ALA 140 H ALA 140 -27.627 17.388 15.700 1098 HA ALA 140 HA ALA 140 -26.197 15.291 14.411 1099 HB1 ALA 140 HB1 ALA 140 -26.157 17.970 14.178 1100 HB2 ALA 140 HB2 ALA 140 -24.718 17.726 15.168 1101 HB3 ALA 140 HB3 ALA 140 -24.860 16.920 13.605 1102 H ILE 141 H ILE 141 -25.538 17.175 17.367 1103 HA ILE 141 HA ILE 141 -23.465 15.279 18.134 1104 HB ILE 141 HB ILE 141 -22.770 17.455 18.589 1105 HG12 ILE 141 HG12 ILE 141 -23.927 17.009 21.293 1106 HG13 ILE 141 HG13 ILE 141 -22.936 15.717 20.622 1107 HG21 ILE 141 HG21 ILE 141 -25.586 17.948 18.929 1108 HG22 ILE 141 HG22 ILE 141 -24.659 18.684 20.236 1109 HG23 ILE 141 HG23 ILE 141 -24.285 19.080 18.559 1110 HD11 ILE 141 HD11 ILE 141 -21.063 17.195 20.407 1111 HD12 ILE 141 HD12 ILE 141 -22.046 18.576 20.893 1112 HD13 ILE 141 HD13 ILE 141 -21.689 17.296 22.052 1113 H ASN 142 H ASN 142 -26.000 16.840 20.084 1114 HA ASN 142 HA ASN 142 -27.046 16.019 21.973 1115 HB2 ASN 142 HB2 ASN 142 -28.237 15.235 19.662 1116 HB3 ASN 142 HB3 ASN 142 -27.991 13.675 20.442 1117 HD21 ASN 142 HD21 ASN 142 -28.927 16.935 21.496 1118 HD22 ASN 142 HD22 ASN 142 -30.321 16.430 22.384 1119 H SER 143 H SER 143 -27.811 13.300 22.488 1120 HA SER 143 HA SER 143 -27.079 11.441 23.577 1121 HB2 SER 143 HB2 SER 143 -25.489 11.603 21.306 1122 HB3 SER 143 HB3 SER 143 -24.325 11.411 22.616 1123 HG SER 143 HG SER 143 -25.207 9.422 21.672 1124 H LYS 144 H LYS 144 -24.673 10.717 24.679 1125 HA LYS 144 HA LYS 144 -24.577 12.128 27.049 1126 HB2 LYS 144 HB2 LYS 144 -22.232 10.660 25.837 1127 HB3 LYS 144 HB3 LYS 144 -22.540 10.945 27.545 1128 HG2 LYS 144 HG2 LYS 144 -24.785 9.594 26.437 1129 HG3 LYS 144 HG3 LYS 144 -23.316 8.739 25.963 1130 HD2 LYS 144 HD2 LYS 144 -23.852 7.768 28.005 1131 HD3 LYS 144 HD3 LYS 144 -22.650 8.982 28.448 1132 HE2 LYS 144 HE2 LYS 144 -24.398 9.174 30.029 1133 HE3 LYS 144 HE3 LYS 144 -24.579 10.538 28.927 1134 HZ1 LYS 144 HZ1 LYS 144 -26.286 8.195 29.282 1135 HZ2 LYS 144 HZ2 LYS 144 -26.144 8.815 27.715 1136 HZ3 LYS 144 HZ3 LYS 144 -26.708 9.803 28.966 1137 H GLN 145 H GLN 145 -23.141 12.902 24.013 1138 HA GLN 145 HA GLN 145 -21.009 14.519 24.801 1139 HB2 GLN 145 HB2 GLN 145 -22.759 15.129 22.428 1140 HB3 GLN 145 HB3 GLN 145 -21.033 15.414 22.612 1141 HG2 GLN 145 HG2 GLN 145 -22.479 12.863 22.057 1142 HG3 GLN 145 HG3 GLN 145 -21.118 13.587 21.203 1143 HE21 GLN 145 HE21 GLN 145 -21.631 10.912 22.521 1144 HE22 GLN 145 HE22 GLN 145 -20.245 10.665 23.522 1145 H LEU 146 H LEU 146 -24.347 15.494 24.008 1146 HA LEU 146 HA LEU 146 -24.073 18.198 24.645 1147 HB2 LEU 146 HB2 LEU 146 -26.121 16.493 23.812 1148 HB3 LEU 146 HB3 LEU 146 -26.694 17.199 25.321 1149 HG LEU 146 HG LEU 146 -25.878 19.431 24.085 1150 HD11 LEU 146 HD11 LEU 146 -25.718 17.484 22.055 1151 HD12 LEU 146 HD12 LEU 146 -25.547 19.233 21.904 1152 HD13 LEU 146 HD13 LEU 146 -27.130 18.481 21.703 1153 HD21 LEU 146 HD21 LEU 146 -28.461 17.957 24.126 1154 HD22 LEU 146 HD22 LEU 146 -28.340 19.415 23.140 1155 HD23 LEU 146 HD23 LEU 146 -28.022 19.493 24.874 1156 H THR 147 H THR 147 -25.369 15.557 26.656 1157 HA THR 147 HA THR 147 -25.762 17.090 28.974 1158 HB THR 147 HB THR 147 -25.885 14.988 30.190 1159 HG1 THR 147 HG1 THR 147 -24.906 13.229 29.493 1160 HG21 THR 147 HG21 THR 147 -27.752 14.109 29.126 1161 HG22 THR 147 HG22 THR 147 -27.074 14.351 27.516 1162 HG23 THR 147 HG23 THR 147 -27.661 15.732 28.442 1163 H TYR 148 H TYR 148 -22.932 15.467 27.702 1164 HA TYR 148 HA TYR 148 -21.343 15.452 30.008 1165 HB2 TYR 148 HB2 TYR 148 -20.676 14.190 28.065 1166 HB3 TYR 148 HB3 TYR 148 -20.574 15.653 27.091 1167 HD1 TYR 148 HD2 TYR 148 -19.249 14.830 30.486 1168 HD2 TYR 148 HD1 TYR 148 -18.365 15.960 26.481 1169 HE1 TYR 148 HE2 TYR 148 -16.873 15.053 31.080 1170 HE2 TYR 148 HE1 TYR 148 -15.986 16.185 27.063 1171 HH TYR 148 HH TYR 148 -14.580 16.508 28.971 1172 H LEU 149 H LEU 149 -21.246 17.783 27.305 1173 HA LEU 149 HA LEU 149 -19.546 19.613 28.596 1174 HB2 LEU 149 HB2 LEU 149 -20.634 19.354 26.089 1175 HB3 LEU 149 HB3 LEU 149 -21.437 20.796 26.709 1176 HG LEU 149 HG LEU 149 -19.532 21.501 25.470 1177 HD11 LEU 149 HD11 LEU 149 -18.454 21.686 28.238 1178 HD12 LEU 149 HD12 LEU 149 -20.028 22.400 27.886 1179 HD13 LEU 149 HD13 LEU 149 -18.600 22.929 26.995 1180 HD21 LEU 149 HD21 LEU 149 -17.239 20.744 26.126 1181 HD22 LEU 149 HD22 LEU 149 -18.237 19.501 25.372 1182 HD23 LEU 149 HD23 LEU 149 -17.999 19.501 27.120 1183 H GLU 150 H GLU 150 -22.951 19.055 28.830 1184 HA GLU 150 HA GLU 150 -23.849 21.540 29.726 1185 HB2 GLU 150 HB2 GLU 150 -25.140 19.331 29.174 1186 HB3 GLU 150 HB3 GLU 150 -24.932 19.000 30.888 1187 HG2 GLU 150 HG2 GLU 150 -26.073 21.609 29.993 1188 HG3 GLU 150 HG3 GLU 150 -27.085 20.167 30.056 1189 H LYS 151 H LYS 151 -22.520 18.805 31.552 1190 HA LYS 151 HA LYS 151 -22.532 20.409 33.995 1191 HB2 LYS 151 HB2 LYS 151 -22.367 17.520 33.363 1192 HB3 LYS 151 HB3 LYS 151 -21.454 18.057 34.767 1193 HG2 LYS 151 HG2 LYS 151 -23.419 18.888 35.824 1194 HG3 LYS 151 HG3 LYS 151 -24.377 18.641 34.362 1195 HD2 LYS 151 HD2 LYS 151 -24.852 16.865 35.915 1196 HD3 LYS 151 HD3 LYS 151 -23.945 16.203 34.554 1197 HE2 LYS 151 HE2 LYS 151 -22.011 15.940 35.808 1198 HE3 LYS 151 HE3 LYS 151 -22.514 17.122 37.015 1199 HZ1 LYS 151 HZ1 LYS 151 -24.170 15.570 37.812 1200 HZ2 LYS 151 HZ2 LYS 151 -22.640 14.853 37.856 1201 HZ3 LYS 151 HZ3 LYS 151 -23.732 14.440 36.632 1202 H TYR 152 H TYR 152 -20.373 19.149 31.586 1203 HA TYR 152 HA TYR 152 -17.956 19.368 33.038 1204 HB2 TYR 152 HB2 TYR 152 -18.256 18.082 30.909 1205 HB3 TYR 152 HB3 TYR 152 -18.321 19.615 30.047 1206 HD1 TYR 152 HD2 TYR 152 -16.304 21.069 29.966 1207 HD2 TYR 152 HD1 TYR 152 -16.182 17.151 31.620 1208 HE1 TYR 152 HE2 TYR 152 -13.852 21.075 29.783 1209 HE2 TYR 152 HE1 TYR 152 -13.728 17.147 31.444 1210 HH TYR 152 HH TYR 152 -11.891 18.712 31.290 1211 H ARG 153 H ARG 153 -16.331 20.967 32.929 1212 HA ARG 153 HA ARG 153 -17.310 23.638 32.156 1213 HB2 ARG 153 HB2 ARG 153 -16.430 24.590 34.069 1214 HB3 ARG 153 HB3 ARG 153 -16.976 23.033 34.678 1215 HG2 ARG 153 HG2 ARG 153 -14.903 23.093 35.601 1216 HG3 ARG 153 HG3 ARG 153 -14.508 22.325 34.062 1217 HD2 ARG 153 HD2 ARG 153 -13.339 24.103 33.333 1218 HD3 ARG 153 HD3 ARG 153 -14.486 25.258 34.010 1219 HE ARG 153 HE ARG 153 -13.033 24.043 36.093 1220 HH11 ARG 153 HH11 ARG 153 -12.631 26.310 33.481 1221 HH12 ARG 153 HH12 ARG 153 -11.362 27.189 34.267 1222 HH21 ARG 153 HH21 ARG 153 -11.363 25.192 37.137 1223 HH22 ARG 153 HH22 ARG 153 -10.640 26.552 36.346 1224 HA PRO 154 HA PRO 154 -13.816 23.764 29.458 1225 HB2 PRO 154 HB2 PRO 154 -13.828 26.433 28.964 1226 HB3 PRO 154 HB3 PRO 154 -15.004 25.320 28.256 1227 HG2 PRO 154 HG2 PRO 154 -15.294 27.124 30.627 1228 HG3 PRO 154 HG3 PRO 154 -16.443 26.809 29.314 1229 HD2 PRO 154 HD2 PRO 154 -16.653 25.637 31.746 1230 HD3 PRO 154 HD3 PRO 154 -17.164 24.830 30.249 1231 H LYS 155 H LYS 155 -11.828 23.496 30.257 1232 HA LYS 155 HA LYS 155 -10.849 25.079 32.461 1233 HB2 LYS 155 HB2 LYS 155 -8.892 23.660 32.373 1234 HB3 LYS 155 HB3 LYS 155 -10.336 22.664 32.246 1235 HG2 LYS 155 HG2 LYS 155 -9.716 23.206 29.620 1236 HG3 LYS 155 HG3 LYS 155 -8.136 23.008 30.382 1237 HD2 LYS 155 HD2 LYS 155 -10.340 21.037 30.879 1238 HD3 LYS 155 HD3 LYS 155 -9.337 20.924 29.431 1239 HE2 LYS 155 HE2 LYS 155 -7.388 21.156 31.203 1240 HE3 LYS 155 HE3 LYS 155 -8.617 20.509 32.288 1241 HZ1 LYS 155 HZ1 LYS 155 -8.712 18.531 31.145 1242 HZ2 LYS 155 HZ2 LYS 155 -7.067 18.902 31.023 1243 HZ3 LYS 155 HZ3 LYS 155 -8.097 19.186 29.712 1244 H GLN 156 H GLN 156 -11.214 25.840 29.359 1245 HA GLN 156 HA GLN 156 -10.346 27.457 28.014 1246 HB2 GLN 156 HB2 GLN 156 -8.410 28.143 30.217 1247 HB3 GLN 156 HB3 GLN 156 -9.037 29.195 28.955 1248 HG2 GLN 156 HG2 GLN 156 -11.240 29.137 29.967 1249 HG3 GLN 156 HG3 GLN 156 -10.659 28.025 31.205 1250 HE21 GLN 156 HE21 GLN 156 -11.111 29.372 32.907 1251 HE22 GLN 156 HE22 GLN 156 -10.238 30.832 33.212 1252 H ARG 157 H ARG 157 -9.343 24.817 27.868 1253 HA ARG 157 HA ARG 157 -6.540 24.665 27.771 1254 HB2 ARG 157 HB2 ARG 157 -8.619 22.903 27.392 1255 HB3 ARG 157 HB3 ARG 157 -7.934 23.032 25.778 1256 HG2 ARG 157 HG2 ARG 157 -6.084 21.898 26.335 1257 HG3 ARG 157 HG3 ARG 157 -5.960 22.676 27.914 1258 HD2 ARG 157 HD2 ARG 157 -7.268 21.108 28.942 1259 HD3 ARG 157 HD3 ARG 157 -8.176 20.746 27.475 1260 HE ARG 157 HE ARG 157 -6.673 19.092 27.014 1261 HH11 ARG 157 HH11 ARG 157 -5.246 21.294 29.303 1262 HH12 ARG 157 HH12 ARG 157 -3.831 20.325 29.550 1263 HH21 ARG 157 HH21 ARG 157 -4.815 17.809 27.331 1264 HH22 ARG 157 HH22 ARG 157 -3.586 18.344 28.427 1265 H LEU 158 H LEU 158 -8.839 25.016 25.062 1266 HA LEU 158 HA LEU 158 -6.691 25.842 23.300 1267 HB2 LEU 158 HB2 LEU 158 -9.447 24.916 23.020 1268 HB3 LEU 158 HB3 LEU 158 -9.026 26.219 21.910 1269 HG LEU 158 HG LEU 158 -8.731 24.023 20.883 1270 HD11 LEU 158 HD11 LEU 158 -7.282 25.372 19.801 1271 HD12 LEU 158 HD12 LEU 158 -6.083 24.348 20.591 1272 HD13 LEU 158 HD13 LEU 158 -6.502 25.913 21.288 1273 HD21 LEU 158 HD21 LEU 158 -8.193 22.847 23.030 1274 HD22 LEU 158 HD22 LEU 158 -6.571 23.532 22.925 1275 HD23 LEU 158 HD23 LEU 158 -7.146 22.431 21.672 1276 H ARG 159 H ARG 159 -5.990 27.845 23.893 1277 HA ARG 159 HA ARG 159 -5.943 30.122 23.931 1278 HB2 ARG 159 HB2 ARG 159 -8.199 29.492 22.198 1279 HB3 ARG 159 HB3 ARG 159 -8.415 31.019 23.043 1280 HG2 ARG 159 HG2 ARG 159 -6.048 30.267 21.341 1281 HG3 ARG 159 HG3 ARG 159 -7.366 31.342 20.873 1282 HD2 ARG 159 HD2 ARG 159 -6.434 32.325 23.317 1283 HD3 ARG 159 HD3 ARG 159 -4.987 31.908 22.399 1284 HE ARG 159 HE ARG 159 -6.768 34.078 21.897 1285 HH11 ARG 159 HH11 ARG 159 -4.629 31.796 20.369 1286 HH12 ARG 159 HH12 ARG 159 -4.308 32.813 19.004 1287 HH21 ARG 159 HH21 ARG 159 -6.353 35.426 20.105 1288 HH22 ARG 159 HH22 ARG 159 -5.288 34.878 18.855 1289 H PHE 160 H PHE 160 -9.442 29.811 24.363 1290 HA PHE 160 HA PHE 160 -9.560 29.797 27.136 1291 HB2 PHE 160 HB2 PHE 160 -10.175 32.260 27.478 1292 HB3 PHE 160 HB3 PHE 160 -8.465 31.879 27.294 1293 HD1 PHE 160 HD1 PHE 160 -11.438 33.078 25.427 1294 HD2 PHE 160 HD2 PHE 160 -7.191 32.918 25.647 1295 HE1 PHE 160 HE1 PHE 160 -11.285 34.691 23.576 1296 HE2 PHE 160 HE2 PHE 160 -7.031 34.531 23.797 1297 HZ PHE 160 HZ PHE 160 -9.079 35.421 22.759 1298 H LYS 161 H LYS 161 -11.643 29.627 27.826 1299 HA LYS 161 HA LYS 161 -13.728 30.032 25.785 1300 HB2 LYS 161 HB2 LYS 161 -13.105 27.684 26.895 1301 HB3 LYS 161 HB3 LYS 161 -14.214 28.266 28.130 1302 HG2 LYS 161 HG2 LYS 161 -15.140 28.484 25.337 1303 HG3 LYS 161 HG3 LYS 161 -14.988 26.853 25.994 1304 HD2 LYS 161 HD2 LYS 161 -16.224 28.304 28.016 1305 HD3 LYS 161 HD3 LYS 161 -16.978 28.889 26.531 1306 HE2 LYS 161 HE2 LYS 161 -17.467 26.573 25.883 1307 HE3 LYS 161 HE3 LYS 161 -16.730 26.004 27.380 1308 HZ1 LYS 161 HZ1 LYS 161 -18.447 27.557 28.480 1309 HZ2 LYS 161 HZ2 LYS 161 -18.960 26.055 27.897 1310 HZ3 LYS 161 HZ3 LYS 161 -19.262 27.458 27.001 1311 H ASP 162 H ASP 162 -15.912 30.522 26.659 1312 HA ASP 162 HA ASP 162 -15.987 32.873 28.078 1313 HB2 ASP 162 HB2 ASP 162 -18.059 30.738 27.638 1314 HB3 ASP 162 HB3 ASP 162 -18.430 32.179 28.582 Start of MODEL 17 1 H1 MET 1 H MET 1 -12.807 -2.954 0.999 2 HA MET 1 HA MET 1 -12.500 -0.373 1.885 3 HB2 MET 1 HB2 MET 1 -10.644 -1.980 3.198 4 HB3 MET 1 HB3 MET 1 -9.717 -1.211 1.916 5 HG2 MET 1 HG2 MET 1 -10.016 0.894 2.771 6 HG3 MET 1 HG3 MET 1 -11.507 0.462 3.603 7 HE1 MET 1 HE1 MET 1 -9.520 2.233 5.305 8 HE2 MET 1 HE2 MET 1 -8.039 1.434 5.832 9 HE3 MET 1 HE3 MET 1 -8.310 1.749 4.117 10 H ALA 2 H ALA 2 -11.988 0.918 0.198 11 HA ALA 2 HA ALA 2 -11.289 -0.396 -2.309 12 HB1 ALA 2 HB1 ALA 2 -11.697 2.439 -2.556 13 HB2 ALA 2 HB2 ALA 2 -12.627 1.108 -3.246 14 HB3 ALA 2 HB3 ALA 2 -13.006 1.705 -1.631 15 H ARG 3 H ARG 3 -10.060 1.520 -3.750 16 HA ARG 3 HA ARG 3 -7.948 2.889 -2.511 17 HB2 ARG 3 HB2 ARG 3 -6.087 1.349 -3.352 18 HB3 ARG 3 HB3 ARG 3 -6.938 0.858 -1.893 19 HG2 ARG 3 HG2 ARG 3 -8.220 -0.215 -4.240 20 HG3 ARG 3 HG3 ARG 3 -6.511 -0.655 -4.187 21 HD2 ARG 3 HD2 ARG 3 -6.755 -1.919 -2.315 22 HD3 ARG 3 HD3 ARG 3 -8.040 -0.902 -1.665 23 HE ARG 3 HE ARG 3 -9.208 -2.098 -3.794 24 HH11 ARG 3 HH11 ARG 3 -7.440 -3.293 -1.044 25 HH12 ARG 3 HH12 ARG 3 -8.290 -4.802 -0.988 26 HH21 ARG 3 HH21 ARG 3 -10.335 -4.080 -3.731 27 HH22 ARG 3 HH22 ARG 3 -9.935 -5.249 -2.518 28 H MET 4 H MET 4 -7.459 4.433 -3.916 29 HA MET 4 HA MET 4 -7.543 3.796 -6.791 30 HB2 MET 4 HB2 MET 4 -8.313 6.125 -7.176 31 HB3 MET 4 HB3 MET 4 -9.466 5.157 -6.266 32 HG2 MET 4 HG2 MET 4 -8.131 6.243 -4.228 33 HG3 MET 4 HG3 MET 4 -7.877 7.502 -5.434 34 HE1 MET 4 HE1 MET 4 -11.748 5.552 -5.021 35 HE2 MET 4 HE2 MET 4 -10.291 5.034 -4.172 36 HE3 MET 4 HE3 MET 4 -11.498 6.014 -3.337 37 H ASN 5 H ASN 5 -6.500 5.938 -7.937 38 HA ASN 5 HA ASN 5 -3.770 5.992 -6.884 39 HB2 ASN 5 HB2 ASN 5 -4.990 6.168 -9.560 40 HB3 ASN 5 HB3 ASN 5 -3.636 7.263 -9.299 41 HD21 ASN 5 HD21 ASN 5 -2.851 5.784 -11.075 42 HD22 ASN 5 HD22 ASN 5 -1.969 4.384 -10.579 43 H ARG 6 H ARG 6 -6.392 8.141 -7.861 44 HA ARG 6 HA ARG 6 -4.909 10.389 -6.664 45 HB2 ARG 6 HB2 ARG 6 -7.133 10.648 -8.683 46 HB3 ARG 6 HB3 ARG 6 -5.996 11.883 -8.162 47 HG2 ARG 6 HG2 ARG 6 -5.061 11.348 -10.156 48 HG3 ARG 6 HG3 ARG 6 -4.242 10.159 -9.141 49 HD2 ARG 6 HD2 ARG 6 -5.228 8.448 -10.184 50 HD3 ARG 6 HD3 ARG 6 -6.814 9.215 -10.107 51 HE ARG 6 HE ARG 6 -5.059 10.332 -12.098 52 HH11 ARG 6 HH11 ARG 6 -7.439 7.888 -11.401 53 HH12 ARG 6 HH12 ARG 6 -7.908 7.688 -13.057 54 HH21 ARG 6 HH21 ARG 6 -5.668 10.077 -14.282 55 HH22 ARG 6 HH22 ARG 6 -6.900 8.933 -14.695 56 HA PRO 7 HA PRO 7 -8.635 9.522 -4.021 57 HB2 PRO 7 HB2 PRO 7 -7.302 9.716 -1.664 58 HB3 PRO 7 HB3 PRO 7 -7.412 8.211 -2.585 59 HG2 PRO 7 HG2 PRO 7 -5.177 10.199 -2.464 60 HG3 PRO 7 HG3 PRO 7 -5.102 8.428 -2.436 61 HD2 PRO 7 HD2 PRO 7 -4.603 9.871 -4.672 62 HD3 PRO 7 HD3 PRO 7 -5.337 8.255 -4.722 63 H ALA 8 H ALA 8 -9.906 11.226 -3.690 64 HA ALA 8 HA ALA 8 -8.671 13.811 -3.024 65 HB1 ALA 8 HB1 ALA 8 -10.802 13.033 -4.813 66 HB2 ALA 8 HB2 ALA 8 -11.327 14.285 -3.688 67 HB3 ALA 8 HB3 ALA 8 -9.916 14.554 -4.711 68 HA PRO 9 HA PRO 9 -10.568 12.735 0.976 69 HB2 PRO 9 HB2 PRO 9 -8.921 14.339 2.420 70 HB3 PRO 9 HB3 PRO 9 -8.466 12.711 1.902 71 HG2 PRO 9 HG2 PRO 9 -7.758 15.354 0.686 72 HG3 PRO 9 HG3 PRO 9 -6.728 13.937 0.962 73 HD2 PRO 9 HD2 PRO 9 -7.794 14.514 -1.460 74 HD3 PRO 9 HD3 PRO 9 -7.506 12.849 -0.915 75 H VAL 10 H VAL 10 -10.781 14.612 2.909 76 HA VAL 10 HA VAL 10 -12.134 16.893 1.627 77 HB VAL 10 HB VAL 10 -13.167 15.090 3.797 78 HG11 VAL 10 HG11 VAL 10 -13.408 17.260 4.751 79 HG12 VAL 10 HG12 VAL 10 -13.991 17.931 3.226 80 HG13 VAL 10 HG13 VAL 10 -14.986 16.783 4.124 81 HG21 VAL 10 HG21 VAL 10 -14.199 16.092 1.158 82 HG22 VAL 10 HG22 VAL 10 -13.907 14.428 1.662 83 HG23 VAL 10 HG23 VAL 10 -15.251 15.335 2.354 84 H GLU 11 H GLU 11 -11.188 18.720 2.226 85 HA GLU 11 HA GLU 11 -9.787 18.838 4.795 86 HB2 GLU 11 HB2 GLU 11 -8.322 19.588 3.164 87 HB3 GLU 11 HB3 GLU 11 -9.593 20.367 2.233 88 HG2 GLU 11 HG2 GLU 11 -9.081 21.473 4.917 89 HG3 GLU 11 HG3 GLU 11 -7.810 21.701 3.716 90 H VAL 12 H VAL 12 -10.555 19.955 6.466 91 HA VAL 12 HA VAL 12 -12.778 21.831 5.982 92 HB VAL 12 HB VAL 12 -13.612 19.901 7.163 93 HG11 VAL 12 HG11 VAL 12 -12.416 18.735 8.631 94 HG12 VAL 12 HG12 VAL 12 -11.067 19.827 8.312 95 HG13 VAL 12 HG13 VAL 12 -12.173 20.156 9.646 96 HG21 VAL 12 HG21 VAL 12 -14.346 22.221 7.822 97 HG22 VAL 12 HG22 VAL 12 -14.615 20.966 9.032 98 HG23 VAL 12 HG23 VAL 12 -13.262 22.084 9.207 99 H SER 13 H SER 13 -11.951 23.822 6.118 100 HA SER 13 HA SER 13 -9.827 24.416 8.014 101 HB2 SER 13 HB2 SER 13 -9.256 26.031 6.561 102 HB3 SER 13 HB3 SER 13 -10.503 25.397 5.486 103 HG SER 13 HG SER 13 -11.923 26.901 6.246 104 H TYR 14 H TYR 14 -10.221 25.111 9.998 105 HA TYR 14 HA TYR 14 -12.887 26.071 10.685 106 HB2 TYR 14 HB2 TYR 14 -11.094 24.427 11.994 107 HB3 TYR 14 HB3 TYR 14 -10.926 25.955 12.851 108 HD1 TYR 14 HD2 TYR 14 -13.840 24.136 11.369 109 HD2 TYR 14 HD1 TYR 14 -12.115 25.922 14.824 110 HE1 TYR 14 HE2 TYR 14 -15.888 23.643 12.639 111 HE2 TYR 14 HE1 TYR 14 -14.157 25.433 16.104 112 HH TYR 14 HH TYR 14 -16.322 23.295 15.366 113 H LYS 15 H LYS 15 -12.266 27.633 12.905 114 HA LYS 15 HA LYS 15 -12.051 30.173 11.851 115 HB2 LYS 15 HB2 LYS 15 -11.547 30.917 14.168 116 HB3 LYS 15 HB3 LYS 15 -12.914 29.815 14.076 117 HG2 LYS 15 HG2 LYS 15 -11.149 27.989 14.604 118 HG3 LYS 15 HG3 LYS 15 -10.180 29.348 15.177 119 HD2 LYS 15 HD2 LYS 15 -11.375 28.464 17.048 120 HD3 LYS 15 HD3 LYS 15 -12.113 30.010 16.622 121 HE2 LYS 15 HE2 LYS 15 -13.462 28.072 15.112 122 HE3 LYS 15 HE3 LYS 15 -13.290 27.387 16.727 123 HZ1 LYS 15 HZ1 LYS 15 -14.439 30.053 16.103 124 HZ2 LYS 15 HZ2 LYS 15 -14.294 29.377 17.646 125 HZ3 LYS 15 HZ3 LYS 15 -15.328 28.672 16.508 126 H HIS 16 H HIS 16 -9.481 28.262 13.407 127 HA HIS 16 HA HIS 16 -7.509 29.700 11.803 128 HB2 HIS 16 HB2 HIS 16 -7.610 29.647 14.803 129 HB3 HIS 16 HB3 HIS 16 -6.062 29.764 13.971 130 HD1 HIS 16 HD1 HIS 16 -6.688 31.735 11.762 131 HD2 HIS 16 HD2 HIS 16 -8.065 32.176 15.657 132 HE1 HIS 16 HE1 HIS 16 -7.166 34.189 12.033 133 H MET 17 H MET 17 -8.624 26.997 11.781 134 HA MET 17 HA MET 17 -6.092 25.548 11.941 135 HB2 MET 17 HB2 MET 17 -8.614 24.287 12.994 136 HB3 MET 17 HB3 MET 17 -6.956 23.726 13.173 137 HG2 MET 17 HG2 MET 17 -7.204 24.594 15.232 138 HG3 MET 17 HG3 MET 17 -6.741 26.081 14.408 139 HE1 MET 17 HE1 MET 17 -8.185 26.289 17.181 140 HE2 MET 17 HE2 MET 17 -7.743 27.661 16.164 141 HE3 MET 17 HE3 MET 17 -9.377 27.538 16.819 142 H ARG 18 H ARG 18 -6.605 23.165 11.064 143 HA ARG 18 HA ARG 18 -8.610 23.047 9.016 144 HB2 ARG 18 HB2 ARG 18 -6.574 24.457 8.144 145 HB3 ARG 18 HB3 ARG 18 -5.813 22.881 7.964 146 HG2 ARG 18 HG2 ARG 18 -7.319 22.197 6.337 147 HG3 ARG 18 HG3 ARG 18 -8.515 23.410 6.797 148 HD2 ARG 18 HD2 ARG 18 -5.876 23.900 5.423 149 HD3 ARG 18 HD3 ARG 18 -7.480 24.034 4.704 150 HE ARG 18 HE ARG 18 -7.362 25.744 6.913 151 HH11 ARG 18 HH11 ARG 18 -5.954 25.406 3.747 152 HH12 ARG 18 HH12 ARG 18 -5.710 27.108 3.531 153 HH21 ARG 18 HH21 ARG 18 -7.046 27.986 6.641 154 HH22 ARG 18 HH22 ARG 18 -6.330 28.574 5.178 155 H PHE 19 H PHE 19 -9.229 20.998 8.890 156 HA PHE 19 HA PHE 19 -7.271 18.900 9.563 157 HB2 PHE 19 HB2 PHE 19 -10.203 19.123 10.213 158 HB3 PHE 19 HB3 PHE 19 -9.367 17.574 10.241 159 HD1 PHE 19 HD1 PHE 19 -8.611 21.028 11.447 160 HD2 PHE 19 HD2 PHE 19 -8.846 16.875 12.354 161 HE1 PHE 19 HE1 PHE 19 -7.847 21.488 13.740 162 HE2 PHE 19 HE2 PHE 19 -8.084 17.330 14.648 163 HZ PHE 19 HZ PHE 19 -7.584 19.638 15.345 164 H LEU 20 H LEU 20 -7.863 16.729 8.629 165 HA LEU 20 HA LEU 20 -9.158 16.984 6.003 166 HB2 LEU 20 HB2 LEU 20 -6.386 16.513 6.531 167 HB3 LEU 20 HB3 LEU 20 -7.084 15.085 5.769 168 HG LEU 20 HG LEU 20 -6.170 16.420 4.038 169 HD11 LEU 20 HD11 LEU 20 -8.769 17.430 3.427 170 HD12 LEU 20 HD12 LEU 20 -8.925 15.852 4.198 171 HD13 LEU 20 HD13 LEU 20 -7.931 16.032 2.753 172 HD21 LEU 20 HD21 LEU 20 -6.064 18.515 5.387 173 HD22 LEU 20 HD22 LEU 20 -7.778 18.759 5.053 174 HD23 LEU 20 HD23 LEU 20 -6.613 18.750 3.728 175 H ILE 21 H ILE 21 -10.907 15.737 6.190 176 HA ILE 21 HA ILE 21 -10.800 13.267 7.730 177 HB ILE 21 HB ILE 21 -13.305 13.252 6.797 178 HG12 ILE 21 HG12 ILE 21 -12.573 15.462 5.545 179 HG13 ILE 21 HG13 ILE 21 -14.184 15.307 6.236 180 HG21 ILE 21 HG21 ILE 21 -12.191 14.845 9.093 181 HG22 ILE 21 HG22 ILE 21 -13.917 14.570 8.856 182 HG23 ILE 21 HG23 ILE 21 -12.834 13.203 9.119 183 HD11 ILE 21 HD11 ILE 21 -11.952 16.518 7.812 184 HD12 ILE 21 HD12 ILE 21 -12.870 17.468 6.644 185 HD13 ILE 21 HD13 ILE 21 -13.693 16.715 8.009 186 H THR 22 H THR 22 -10.481 11.338 6.850 187 HA THR 22 HA THR 22 -9.845 10.903 4.188 188 HB THR 22 HB THR 22 -10.925 8.889 6.170 189 HG1 THR 22 HG1 THR 22 -8.800 10.224 6.425 190 HG21 THR 22 HG21 THR 22 -10.818 7.385 4.531 191 HG22 THR 22 HG22 THR 22 -9.101 7.737 4.338 192 HG23 THR 22 HG23 THR 22 -10.295 8.629 3.396 193 H HIS 23 H HIS 23 -11.221 11.501 2.605 194 HA HIS 23 HA HIS 23 -13.981 11.462 2.620 195 HB2 HIS 23 HB2 HIS 23 -12.748 12.607 0.880 196 HB3 HIS 23 HB3 HIS 23 -12.093 11.083 0.288 197 HD1 HIS 23 HD1 HIS 23 -15.586 12.511 0.843 198 HD2 HIS 23 HD2 HIS 23 -13.433 10.240 -1.890 199 HE1 HIS 23 HE1 HIS 23 -17.191 12.011 -1.028 200 H ASN 24 H ASN 24 -12.138 9.130 0.666 201 HA ASN 24 HA ASN 24 -14.162 7.104 1.354 202 HB2 ASN 24 HB2 ASN 24 -12.833 7.837 -1.180 203 HB3 ASN 24 HB3 ASN 24 -12.980 6.107 -0.882 204 HD21 ASN 24 HD21 ASN 24 -14.785 5.186 -1.518 205 HD22 ASN 24 HD22 ASN 24 -16.288 5.987 -1.810 206 HA PRO 25 HA PRO 25 -11.130 4.457 3.098 207 HB2 PRO 25 HB2 PRO 25 -11.915 2.010 2.223 208 HB3 PRO 25 HB3 PRO 25 -12.805 2.924 3.447 209 HG2 PRO 25 HG2 PRO 25 -13.349 2.655 0.516 210 HG3 PRO 25 HG3 PRO 25 -14.488 2.607 1.874 211 HD2 PRO 25 HD2 PRO 25 -14.142 4.812 0.341 212 HD3 PRO 25 HD3 PRO 25 -14.552 4.903 2.066 213 H THR 26 H THR 26 -9.439 5.415 1.693 214 HA THR 26 HA THR 26 -8.502 3.483 -0.328 215 HB THR 26 HB THR 26 -7.484 5.240 -1.574 216 HG1 THR 26 HG1 THR 26 -7.224 7.272 -0.800 217 HG21 THR 26 HG21 THR 26 -10.233 6.124 -0.687 218 HG22 THR 26 HG22 THR 26 -9.869 4.992 -1.989 219 HG23 THR 26 HG23 THR 26 -9.401 6.686 -2.136 220 H ASN 27 H ASN 27 -7.957 3.333 2.485 221 HA ASN 27 HA ASN 27 -5.059 3.871 2.483 222 HB2 ASN 27 HB2 ASN 27 -6.511 5.159 4.159 223 HB3 ASN 27 HB3 ASN 27 -6.737 3.615 4.975 224 HD21 ASN 27 HD21 ASN 27 -5.708 5.116 6.648 225 HD22 ASN 27 HD22 ASN 27 -3.988 5.028 6.777 226 H ALA 28 H ALA 28 -6.364 1.521 1.437 227 HA ALA 28 HA ALA 28 -6.016 -0.582 3.387 228 HB1 ALA 28 HB1 ALA 28 -6.467 -0.866 0.422 229 HB2 ALA 28 HB2 ALA 28 -6.742 -2.079 1.673 230 HB3 ALA 28 HB3 ALA 28 -7.760 -0.641 1.600 231 H THR 29 H THR 29 -3.976 1.166 1.380 232 HA THR 29 HA THR 29 -1.963 -0.989 1.431 233 HB THR 29 HB THR 29 -2.296 -0.679 -0.850 234 HG1 THR 29 HG1 THR 29 -0.156 -0.435 -0.777 235 HG21 THR 29 HG21 THR 29 -2.559 1.523 -1.925 236 HG22 THR 29 HG22 THR 29 -2.466 2.294 -0.342 237 HG23 THR 29 HG23 THR 29 -3.813 1.222 -0.723 238 H LEU 30 H LEU 30 -2.733 2.306 2.153 239 HA LEU 30 HA LEU 30 -1.680 3.858 3.445 240 HB2 LEU 30 HB2 LEU 30 -0.931 1.576 4.581 241 HB3 LEU 30 HB3 LEU 30 0.644 2.089 3.980 242 HG LEU 30 HG LEU 30 0.124 4.306 5.218 243 HD11 LEU 30 HD11 LEU 30 -1.737 4.438 6.411 244 HD12 LEU 30 HD12 LEU 30 -1.306 2.977 7.300 245 HD13 LEU 30 HD13 LEU 30 -2.223 2.857 5.798 246 HD21 LEU 30 HD21 LEU 30 1.436 3.583 6.941 247 HD22 LEU 30 HD22 LEU 30 1.705 2.272 5.792 248 HD23 LEU 30 HD23 LEU 30 0.561 2.061 7.119 249 H SER 31 H SER 31 -0.772 2.893 0.579 250 HA SER 31 HA SER 31 1.857 4.104 0.420 251 HB2 SER 31 HB2 SER 31 0.141 2.482 -1.347 252 HB3 SER 31 HB3 SER 31 1.112 3.699 -2.174 253 HG SER 31 HG SER 31 1.994 1.583 -0.515 254 H THR 32 H THR 32 -1.193 4.662 -1.347 255 HA THR 32 HA THR 32 -0.396 7.321 -2.081 256 HB THR 32 HB THR 32 -3.132 6.063 -2.346 257 HG1 THR 32 HG1 THR 32 -1.509 4.833 -3.421 258 HG21 THR 32 HG21 THR 32 -3.415 7.689 -4.166 259 HG22 THR 32 HG22 THR 32 -1.825 8.362 -3.806 260 HG23 THR 32 HG23 THR 32 -3.125 8.489 -2.622 261 H PHE 33 H PHE 33 -2.059 5.899 0.563 262 HA PHE 33 HA PHE 33 -3.743 7.984 1.357 263 HB2 PHE 33 HB2 PHE 33 -4.111 6.016 2.526 264 HB3 PHE 33 HB3 PHE 33 -2.394 5.727 2.786 265 HD1 PHE 33 HD1 PHE 33 -4.832 8.432 3.621 266 HD2 PHE 33 HD2 PHE 33 -1.752 5.826 4.976 267 HE1 PHE 33 HE1 PHE 33 -5.019 9.391 5.879 268 HE2 PHE 33 HE2 PHE 33 -1.935 6.780 7.237 269 HZ PHE 33 HZ PHE 33 -3.570 8.564 7.691 270 H ILE 34 H ILE 34 -0.430 7.257 2.456 271 HA ILE 34 HA ILE 34 -0.109 9.499 4.089 272 HB ILE 34 HB ILE 34 2.088 8.149 2.520 273 HG12 ILE 34 HG12 ILE 34 0.684 6.512 3.750 274 HG13 ILE 34 HG13 ILE 34 2.322 6.612 4.386 275 HG21 ILE 34 HG21 ILE 34 3.162 9.903 3.487 276 HG22 ILE 34 HG22 ILE 34 1.988 10.045 4.794 277 HG23 ILE 34 HG23 ILE 34 3.215 8.780 4.845 278 HD11 ILE 34 HD11 ILE 34 -0.150 7.845 5.573 279 HD12 ILE 34 HD12 ILE 34 0.766 6.474 6.201 280 HD13 ILE 34 HD13 ILE 34 1.487 8.083 6.183 281 H GLU 35 H GLU 35 0.418 9.075 0.630 282 HA GLU 35 HA GLU 35 1.695 11.563 0.185 283 HB2 GLU 35 HB2 GLU 35 0.033 10.090 -1.850 284 HB3 GLU 35 HB3 GLU 35 1.422 11.130 -2.130 285 HG2 GLU 35 HG2 GLU 35 2.322 9.069 -0.457 286 HG3 GLU 35 HG3 GLU 35 1.327 8.304 -1.694 287 H ASP 36 H ASP 36 -1.658 10.561 0.313 288 HA ASP 36 HA ASP 36 -2.811 12.850 -0.856 289 HB2 ASP 36 HB2 ASP 36 -3.778 10.467 0.042 290 HB3 ASP 36 HB3 ASP 36 -4.347 11.557 1.303 291 H LEU 37 H LEU 37 -2.267 12.013 2.562 292 HA LEU 37 HA LEU 37 -3.176 14.545 3.520 293 HB2 LEU 37 HB2 LEU 37 -2.353 13.800 5.683 294 HB3 LEU 37 HB3 LEU 37 -3.304 12.543 4.894 295 HG LEU 37 HG LEU 37 -0.951 11.661 4.143 296 HD11 LEU 37 HD11 LEU 37 -0.234 13.842 5.807 297 HD12 LEU 37 HD12 LEU 37 0.818 12.683 4.994 298 HD13 LEU 37 HD13 LEU 37 0.235 12.351 6.625 299 HD21 LEU 37 HD21 LEU 37 -1.307 11.134 7.004 300 HD22 LEU 37 HD22 LEU 37 -1.309 10.024 5.633 301 HD23 LEU 37 HD23 LEU 37 -2.767 10.933 6.034 302 H LYS 38 H LYS 38 -0.188 13.341 2.315 303 HA LYS 38 HA LYS 38 1.446 15.369 3.562 304 HB2 LYS 38 HB2 LYS 38 1.907 13.100 1.685 305 HB3 LYS 38 HB3 LYS 38 3.084 14.407 1.699 306 HG2 LYS 38 HG2 LYS 38 2.799 13.917 4.356 307 HG3 LYS 38 HG3 LYS 38 2.574 12.305 3.671 308 HD2 LYS 38 HD2 LYS 38 4.848 13.998 2.730 309 HD3 LYS 38 HD3 LYS 38 4.971 13.164 4.281 310 HE2 LYS 38 HE2 LYS 38 4.971 11.085 3.315 311 HE3 LYS 38 HE3 LYS 38 4.057 11.620 1.906 312 HZ1 LYS 38 HZ1 LYS 38 6.532 11.069 1.633 313 HZ2 LYS 38 HZ2 LYS 38 6.810 12.573 2.354 314 HZ3 LYS 38 HZ3 LYS 38 5.940 12.478 0.907 315 H LYS 39 H LYS 39 0.000 14.773 0.401 316 HA LYS 39 HA LYS 39 1.232 17.004 -0.880 317 HB2 LYS 39 HB2 LYS 39 -0.231 16.538 -2.729 318 HB3 LYS 39 HB3 LYS 39 0.344 15.007 -2.082 319 HG2 LYS 39 HG2 LYS 39 -1.767 14.695 -0.909 320 HG3 LYS 39 HG3 LYS 39 -2.345 16.246 -1.524 321 HD2 LYS 39 HD2 LYS 39 -3.278 14.561 -2.917 322 HD3 LYS 39 HD3 LYS 39 -1.989 15.333 -3.844 323 HE2 LYS 39 HE2 LYS 39 -0.591 13.358 -2.684 324 HE3 LYS 39 HE3 LYS 39 -2.175 12.590 -2.755 325 HZ1 LYS 39 HZ1 LYS 39 -2.155 12.538 -5.013 326 HZ2 LYS 39 HZ2 LYS 39 -0.487 12.444 -4.744 327 HZ3 LYS 39 HZ3 LYS 39 -1.193 13.922 -5.167 328 H TYR 40 H TYR 40 -1.839 16.468 0.760 329 HA TYR 40 HA TYR 40 -3.022 18.943 0.054 330 HB2 TYR 40 HB2 TYR 40 -3.592 16.763 1.976 331 HB3 TYR 40 HB3 TYR 40 -4.273 18.338 2.370 332 HD1 TYR 40 HD2 TYR 40 -3.995 15.969 -0.506 333 HD2 TYR 40 HD1 TYR 40 -6.342 18.897 1.500 334 HE1 TYR 40 HE2 TYR 40 -5.842 15.555 -2.076 335 HE2 TYR 40 HE1 TYR 40 -8.196 18.490 -0.064 336 HH TYR 40 HH TYR 40 -7.811 16.581 -2.914 337 H GLY 41 H GLY 41 -0.438 18.221 2.074 338 HA2 GLY 41 HA2 GLY 41 0.895 19.783 3.194 339 HA3 GLY 41 HA3 GLY 41 -0.423 20.942 3.099 340 H ALA 42 H ALA 42 -0.869 17.694 4.308 341 HA ALA 42 HA ALA 42 -1.435 18.833 6.959 342 HB1 ALA 42 HB1 ALA 42 -2.977 17.109 7.322 343 HB2 ALA 42 HB2 ALA 42 -3.226 17.577 5.639 344 HB3 ALA 42 HB3 ALA 42 -2.311 16.119 6.023 345 H THR 43 H THR 43 0.090 18.551 8.435 346 HA THR 43 HA THR 43 2.056 16.427 8.130 347 HB THR 43 HB THR 43 3.319 17.515 9.858 348 HG1 THR 43 HG1 THR 43 0.874 18.827 10.352 349 HG21 THR 43 HG21 THR 43 2.112 19.721 8.194 350 HG22 THR 43 HG22 THR 43 3.261 18.544 7.557 351 HG23 THR 43 HG23 THR 43 3.744 19.635 8.855 352 H THR 44 H THR 44 -0.641 15.666 8.800 353 HA THR 44 HA THR 44 -0.063 14.215 11.270 354 HB THR 44 HB THR 44 -2.803 14.800 11.450 355 HG1 THR 44 HG1 THR 44 -1.329 17.220 11.210 356 HG21 THR 44 HG21 THR 44 -0.971 14.473 13.223 357 HG22 THR 44 HG22 THR 44 -2.255 15.631 13.572 358 HG23 THR 44 HG23 THR 44 -0.674 16.202 13.039 359 H VAL 45 H VAL 45 -0.918 12.177 11.344 360 HA VAL 45 HA VAL 45 -2.053 11.178 8.858 361 HB VAL 45 HB VAL 45 -1.478 9.461 11.248 362 HG11 VAL 45 HG11 VAL 45 -1.738 9.107 8.303 363 HG12 VAL 45 HG12 VAL 45 -0.685 8.011 9.200 364 HG13 VAL 45 HG13 VAL 45 -2.394 8.135 9.620 365 HG21 VAL 45 HG21 VAL 45 0.838 9.222 10.501 366 HG22 VAL 45 HG22 VAL 45 0.572 10.452 9.266 367 HG23 VAL 45 HG23 VAL 45 0.489 10.885 10.974 368 H VAL 46 H VAL 46 -4.020 10.129 8.675 369 HA VAL 46 HA VAL 46 -6.059 10.984 10.505 370 HB VAL 46 HB VAL 46 -7.631 10.146 8.986 371 HG11 VAL 46 HG11 VAL 46 -6.659 10.742 6.696 372 HG12 VAL 46 HG12 VAL 46 -6.620 11.986 7.947 373 HG13 VAL 46 HG13 VAL 46 -5.159 11.076 7.560 374 HG21 VAL 46 HG21 VAL 46 -7.351 7.995 8.423 375 HG22 VAL 46 HG22 VAL 46 -6.451 8.627 7.044 376 HG23 VAL 46 HG23 VAL 46 -5.593 8.107 8.494 377 H ARG 47 H ARG 47 -4.345 9.474 11.969 378 HA ARG 47 HA ARG 47 -5.180 6.734 12.123 379 HB2 ARG 47 HB2 ARG 47 -3.784 8.085 14.389 380 HB3 ARG 47 HB3 ARG 47 -3.551 6.470 13.734 381 HG2 ARG 47 HG2 ARG 47 -2.797 8.101 11.651 382 HG3 ARG 47 HG3 ARG 47 -2.211 8.960 13.078 383 HD2 ARG 47 HD2 ARG 47 -0.477 7.572 13.128 384 HD3 ARG 47 HD3 ARG 47 -1.595 6.262 13.504 385 HE ARG 47 HE ARG 47 -0.330 6.802 10.963 386 HH11 ARG 47 HH11 ARG 47 -2.908 5.164 12.634 387 HH12 ARG 47 HH12 ARG 47 -3.134 3.977 11.393 388 HH21 ARG 47 HH21 ARG 47 -0.618 5.244 9.322 389 HH22 ARG 47 HH22 ARG 47 -1.830 4.023 9.510 390 H VAL 48 H VAL 48 -6.844 9.398 12.803 391 HA VAL 48 HA VAL 48 -7.806 8.973 15.434 392 HB VAL 48 HB VAL 48 -9.107 10.414 13.119 393 HG11 VAL 48 HG11 VAL 48 -10.185 11.605 15.221 394 HG12 VAL 48 HG12 VAL 48 -10.901 10.159 14.507 395 HG13 VAL 48 HG13 VAL 48 -9.903 10.026 15.955 396 HG21 VAL 48 HG21 VAL 48 -8.314 12.431 14.454 397 HG22 VAL 48 HG22 VAL 48 -7.283 11.305 15.336 398 HG23 VAL 48 HG23 VAL 48 -7.079 11.509 13.597 399 H CYS 49 H CYS 49 -8.192 6.675 15.425 400 HA CYS 49 HA CYS 49 -10.863 5.961 15.225 401 HB2 CYS 49 HB2 CYS 49 -9.786 6.070 12.686 402 HB3 CYS 49 HB3 CYS 49 -9.650 4.363 13.093 403 HG CYS 49 HG CYS 49 -11.979 4.164 11.908 404 H GLU 50 H GLU 50 -10.715 3.247 14.616 405 HA GLU 50 HA GLU 50 -9.444 2.260 16.985 406 HB2 GLU 50 HB2 GLU 50 -11.630 1.452 15.802 407 HB3 GLU 50 HB3 GLU 50 -10.532 0.479 14.834 408 HG2 GLU 50 HG2 GLU 50 -10.895 -1.036 16.448 409 HG3 GLU 50 HG3 GLU 50 -9.632 -0.134 17.283 410 H VAL 51 H VAL 51 -7.356 3.253 15.835 411 HA VAL 51 HA VAL 51 -6.051 1.459 14.000 412 HB VAL 51 HB VAL 51 -4.076 2.921 14.319 413 HG11 VAL 51 HG11 VAL 51 -6.668 4.363 13.770 414 HG12 VAL 51 HG12 VAL 51 -5.062 4.934 13.312 415 HG13 VAL 51 HG13 VAL 51 -5.710 3.454 12.602 416 HG21 VAL 51 HG21 VAL 51 -5.085 5.134 15.637 417 HG22 VAL 51 HG22 VAL 51 -5.619 3.774 16.626 418 HG23 VAL 51 HG23 VAL 51 -3.904 3.987 16.272 419 H THR 52 H THR 52 -4.361 0.069 14.412 420 HA THR 52 HA THR 52 -3.341 -0.229 17.111 421 HB THR 52 HB THR 52 -3.895 -2.617 17.272 422 HG1 THR 52 HG1 THR 52 -5.726 -2.288 15.141 423 HG21 THR 52 HG21 THR 52 -6.126 -2.363 17.988 424 HG22 THR 52 HG22 THR 52 -6.453 -1.108 16.792 425 HG23 THR 52 HG23 THR 52 -5.406 -0.763 18.169 426 H TYR 53 H TYR 53 -1.994 0.582 14.853 427 HA TYR 53 HA TYR 53 -0.179 -1.687 14.427 428 HB2 TYR 53 HB2 TYR 53 -0.487 -1.705 12.213 429 HB3 TYR 53 HB3 TYR 53 -1.831 -0.591 12.441 430 HD1 TYR 53 HD2 TYR 53 -1.040 1.957 12.738 431 HD2 TYR 53 HD1 TYR 53 1.153 -1.081 10.722 432 HE1 TYR 53 HE2 TYR 53 0.167 3.681 11.465 433 HE2 TYR 53 HE1 TYR 53 2.366 0.635 9.444 434 HH TYR 53 HH TYR 53 1.393 3.732 9.140 435 H ASP 54 H ASP 54 2.006 -1.124 14.043 436 HA ASP 54 HA ASP 54 2.822 1.271 15.406 437 HB2 ASP 54 HB2 ASP 54 4.154 -1.160 14.346 438 HB3 ASP 54 HB3 ASP 54 5.145 0.291 14.468 439 H LYS 55 H LYS 55 3.274 3.177 14.533 440 HA LYS 55 HA LYS 55 2.976 3.644 11.746 441 HB2 LYS 55 HB2 LYS 55 3.841 5.965 12.381 442 HB3 LYS 55 HB3 LYS 55 2.350 5.430 13.144 443 HG2 LYS 55 HG2 LYS 55 4.642 4.678 14.721 444 HG3 LYS 55 HG3 LYS 55 4.626 6.413 14.401 445 HD2 LYS 55 HD2 LYS 55 2.244 6.447 15.169 446 HD3 LYS 55 HD3 LYS 55 2.438 4.762 15.659 447 HE2 LYS 55 HE2 LYS 55 4.304 5.453 17.131 448 HE3 LYS 55 HE3 LYS 55 3.994 7.132 16.692 449 HZ1 LYS 55 HZ1 LYS 55 2.656 5.488 18.598 450 HZ2 LYS 55 HZ2 LYS 55 1.564 6.155 17.492 451 HZ3 LYS 55 HZ3 LYS 55 2.583 7.165 18.389 452 H THR 56 H THR 56 4.443 2.805 10.387 453 HA THR 56 HA THR 56 7.291 3.010 11.046 454 HB THR 56 HB THR 56 7.498 1.028 10.055 455 HG1 THR 56 HG1 THR 56 7.891 1.646 8.042 456 HG21 THR 56 HG21 THR 56 4.576 1.264 9.323 457 HG22 THR 56 HG22 THR 56 5.209 0.630 10.842 458 HG23 THR 56 HG23 THR 56 5.525 -0.222 9.331 459 HA PRO 57 HA PRO 57 7.073 5.051 6.670 460 HB2 PRO 57 HB2 PRO 57 4.606 5.543 5.648 461 HB3 PRO 57 HB3 PRO 57 5.475 4.028 5.373 462 HG2 PRO 57 HG2 PRO 57 3.302 4.634 7.340 463 HG3 PRO 57 HG3 PRO 57 3.514 3.205 6.312 464 HD2 PRO 57 HD2 PRO 57 4.185 3.226 8.935 465 HD3 PRO 57 HD3 PRO 57 5.062 2.258 7.733 466 H LEU 58 H LEU 58 3.879 6.131 7.786 467 HA LEU 58 HA LEU 58 4.294 8.833 7.542 468 HB2 LEU 58 HB2 LEU 58 2.413 9.166 8.949 469 HB3 LEU 58 HB3 LEU 58 2.134 7.688 8.032 470 HG LEU 58 HG LEU 58 1.351 7.340 10.258 471 HD11 LEU 58 HD11 LEU 58 2.451 5.360 10.784 472 HD12 LEU 58 HD12 LEU 58 4.016 5.972 10.250 473 HD13 LEU 58 HD13 LEU 58 2.777 5.565 9.063 474 HD21 LEU 58 HD21 LEU 58 3.950 7.663 11.590 475 HD22 LEU 58 HD22 LEU 58 2.329 8.090 12.138 476 HD23 LEU 58 HD23 LEU 58 3.199 9.160 11.038 477 H GLU 59 H GLU 59 5.644 6.711 9.859 478 HA GLU 59 HA GLU 59 6.124 8.610 11.930 479 HB2 GLU 59 HB2 GLU 59 6.163 6.358 12.609 480 HB3 GLU 59 HB3 GLU 59 7.229 5.888 11.293 481 HG2 GLU 59 HG2 GLU 59 8.416 5.866 13.396 482 HG3 GLU 59 HG3 GLU 59 9.064 7.117 12.336 483 H LYS 60 H LYS 60 8.304 7.107 9.539 484 HA LYS 60 HA LYS 60 10.470 8.853 10.118 485 HB2 LYS 60 HB2 LYS 60 10.050 7.257 7.589 486 HB3 LYS 60 HB3 LYS 60 11.577 7.839 8.240 487 HG2 LYS 60 HG2 LYS 60 9.805 5.701 9.401 488 HG3 LYS 60 HG3 LYS 60 11.396 5.492 8.665 489 HD2 LYS 60 HD2 LYS 60 12.419 6.776 10.456 490 HD3 LYS 60 HD3 LYS 60 10.834 7.078 11.171 491 HE2 LYS 60 HE2 LYS 60 10.662 4.477 11.193 492 HE3 LYS 60 HE3 LYS 60 12.419 4.545 11.059 493 HZ1 LYS 60 HZ1 LYS 60 11.187 4.543 13.378 494 HZ2 LYS 60 HZ2 LYS 60 11.165 6.212 13.102 495 HZ3 LYS 60 HZ3 LYS 60 12.637 5.380 13.139 496 H ASP 61 H ASP 61 7.640 9.184 8.245 497 HA ASP 61 HA ASP 61 8.654 11.098 6.367 498 HB2 ASP 61 HB2 ASP 61 6.117 9.777 6.914 499 HB3 ASP 61 HB3 ASP 61 5.904 11.479 6.512 500 H GLY 62 H GLY 62 8.180 11.275 9.619 501 HA2 GLY 62 HA2 GLY 62 8.233 13.062 11.069 502 HA3 GLY 62 HA3 GLY 62 8.447 14.109 9.675 503 H ILE 63 H ILE 63 5.723 11.950 9.924 504 HA ILE 63 HA ILE 63 3.961 14.290 10.094 505 HB ILE 63 HB ILE 63 3.387 11.465 9.196 506 HG12 ILE 63 HG12 ILE 63 3.113 13.921 7.503 507 HG13 ILE 63 HG13 ILE 63 4.708 13.218 7.750 508 HG21 ILE 63 HG21 ILE 63 1.160 12.232 8.629 509 HG22 ILE 63 HG22 ILE 63 1.464 12.475 10.348 510 HG23 ILE 63 HG23 ILE 63 1.535 13.844 9.239 511 HD11 ILE 63 HD11 ILE 63 3.696 11.033 6.956 512 HD12 ILE 63 HD12 ILE 63 2.317 11.995 6.423 513 HD13 ILE 63 HD13 ILE 63 3.918 12.300 5.751 514 H THR 64 H THR 64 2.659 14.632 11.788 515 HA THR 64 HA THR 64 3.008 13.206 14.195 516 HB THR 64 HB THR 64 0.992 15.270 13.334 517 HG1 THR 64 HG1 THR 64 3.373 15.597 13.992 518 HG21 THR 64 HG21 THR 64 1.200 13.888 16.011 519 HG22 THR 64 HG22 THR 64 -0.183 13.882 14.916 520 HG23 THR 64 HG23 THR 64 0.296 15.374 15.722 521 H VAL 65 H VAL 65 2.137 11.363 14.862 522 HA VAL 65 HA VAL 65 0.070 10.077 13.310 523 HB VAL 65 HB VAL 65 1.554 8.476 14.005 524 HG11 VAL 65 HG11 VAL 65 3.075 9.609 15.329 525 HG12 VAL 65 HG12 VAL 65 1.841 10.141 16.473 526 HG13 VAL 65 HG13 VAL 65 2.375 8.460 16.469 527 HG21 VAL 65 HG21 VAL 65 -0.899 8.206 14.976 528 HG22 VAL 65 HG22 VAL 65 0.366 7.020 15.298 529 HG23 VAL 65 HG23 VAL 65 -0.027 8.241 16.508 530 H VAL 66 H VAL 66 -1.941 10.834 13.583 531 HA VAL 66 HA VAL 66 -2.871 11.551 16.261 532 HB VAL 66 HB VAL 66 -4.391 11.828 13.671 533 HG11 VAL 66 HG11 VAL 66 -5.841 13.248 14.832 534 HG12 VAL 66 HG12 VAL 66 -5.548 11.921 15.957 535 HG13 VAL 66 HG13 VAL 66 -4.711 13.459 16.169 536 HG21 VAL 66 HG21 VAL 66 -2.341 13.061 13.419 537 HG22 VAL 66 HG22 VAL 66 -3.656 14.200 13.708 538 HG23 VAL 66 HG23 VAL 66 -2.539 13.795 15.011 539 H ASP 67 H ASP 67 -3.004 9.421 17.108 540 HA ASP 67 HA ASP 67 -5.109 7.736 15.933 541 HB2 ASP 67 HB2 ASP 67 -4.076 6.028 17.626 542 HB3 ASP 67 HB3 ASP 67 -3.249 6.363 16.108 543 H TRP 68 H TRP 68 -7.034 7.990 16.839 544 HA TRP 68 HA TRP 68 -7.219 8.092 19.759 545 HB2 TRP 68 HB2 TRP 68 -8.759 9.969 17.955 546 HB3 TRP 68 HB3 TRP 68 -8.820 9.912 19.715 547 HD1 TRP 68 HD1 TRP 68 -7.463 12.030 17.204 548 HE1 TRP 68 HE1 TRP 68 -5.360 13.287 17.993 549 HE3 TRP 68 HE3 TRP 68 -6.322 9.206 21.310 550 HZ2 TRP 68 HZ2 TRP 68 -3.468 13.105 20.080 551 HZ3 TRP 68 HZ3 TRP 68 -4.349 9.814 22.648 552 HH2 TRP 68 HH2 TRP 68 -2.952 11.723 22.044 553 HA PRO 69 HA PRO 69 -10.341 5.063 19.039 554 HB2 PRO 69 HB2 PRO 69 -11.541 5.147 21.472 555 HB3 PRO 69 HB3 PRO 69 -9.966 4.391 21.203 556 HG2 PRO 69 HG2 PRO 69 -10.603 7.105 22.295 557 HG3 PRO 69 HG3 PRO 69 -9.402 5.927 22.856 558 HD2 PRO 69 HD2 PRO 69 -8.744 8.064 21.328 559 HD3 PRO 69 HD3 PRO 69 -7.879 6.517 21.229 560 H PHE 70 H PHE 70 -11.035 7.342 17.747 561 HA PHE 70 HA PHE 70 -13.609 8.247 18.769 562 HB2 PHE 70 HB2 PHE 70 -11.993 9.077 16.352 563 HB3 PHE 70 HB3 PHE 70 -13.554 9.770 16.780 564 HD1 PHE 70 HD2 PHE 70 -12.045 9.054 19.790 565 HD2 PHE 70 HD1 PHE 70 -11.748 11.769 16.526 566 HE1 PHE 70 HE2 PHE 70 -10.920 10.681 21.252 567 HE2 PHE 70 HE1 PHE 70 -10.621 13.401 17.982 568 HZ PHE 70 HZ PHE 70 -10.206 12.859 20.349 569 H ASP 71 H ASP 71 -12.539 5.679 17.026 570 HA ASP 71 HA ASP 71 -14.215 5.480 14.819 571 HB2 ASP 71 HB2 ASP 71 -12.315 3.927 15.486 572 HB3 ASP 71 HB3 ASP 71 -13.458 3.146 16.575 573 H ASP 72 H ASP 72 -14.785 4.326 18.138 574 HA ASP 72 HA ASP 72 -17.613 3.930 17.470 575 HB2 ASP 72 HB2 ASP 72 -15.830 2.879 19.645 576 HB3 ASP 72 HB3 ASP 72 -17.580 2.866 19.847 577 H GLY 73 H GLY 73 -16.279 4.657 20.650 578 HA2 GLY 73 HA2 GLY 73 -17.483 7.318 20.621 579 HA3 GLY 73 HA3 GLY 73 -18.161 6.157 21.753 580 H ALA 74 H ALA 74 -14.870 5.636 21.237 581 HA ALA 74 HA ALA 74 -12.999 5.984 22.487 582 HB1 ALA 74 HB1 ALA 74 -14.244 8.429 23.686 583 HB2 ALA 74 HB2 ALA 74 -12.553 8.117 23.294 584 HB3 ALA 74 HB3 ALA 74 -13.718 8.412 22.002 585 HA PRO 75 HA PRO 75 -14.453 3.926 26.181 586 HB2 PRO 75 HB2 PRO 75 -12.023 2.954 26.903 587 HB3 PRO 75 HB3 PRO 75 -13.008 2.228 25.628 588 HG2 PRO 75 HG2 PRO 75 -10.686 4.103 25.392 589 HG3 PRO 75 HG3 PRO 75 -11.055 2.653 24.439 590 HD2 PRO 75 HD2 PRO 75 -11.568 5.156 23.542 591 HD3 PRO 75 HD3 PRO 75 -12.578 3.761 23.110 592 HA PRO 76 HA PRO 76 -11.322 6.708 28.710 593 HB2 PRO 76 HB2 PRO 76 -10.633 8.983 27.399 594 HB3 PRO 76 HB3 PRO 76 -9.675 7.500 27.318 595 HG2 PRO 76 HG2 PRO 76 -11.666 8.577 25.359 596 HG3 PRO 76 HG3 PRO 76 -10.080 7.844 25.054 597 HD2 PRO 76 HD2 PRO 76 -12.398 6.475 24.763 598 HD3 PRO 76 HD3 PRO 76 -10.888 5.697 25.281 599 HA PRO 77 HA PRO 77 -15.209 8.869 29.495 600 HB2 PRO 77 HB2 PRO 77 -14.842 9.017 32.181 601 HB3 PRO 77 HB3 PRO 77 -15.428 7.560 31.371 602 HG2 PRO 77 HG2 PRO 77 -12.665 8.221 32.315 603 HG3 PRO 77 HG3 PRO 77 -13.561 6.697 32.456 604 HD2 PRO 77 HD2 PRO 77 -11.667 7.104 30.563 605 HD3 PRO 77 HD3 PRO 77 -13.085 6.071 30.289 606 H GLY 78 H GLY 78 -14.948 10.910 28.702 607 HA2 GLY 78 HA2 GLY 78 -14.490 13.159 28.712 608 HA3 GLY 78 HA3 GLY 78 -14.269 13.002 30.448 609 H LYS 79 H LYS 79 -12.236 10.943 28.708 610 HA LYS 79 HA LYS 79 -9.944 12.618 29.362 611 HB2 LYS 79 HB2 LYS 79 -10.444 9.823 29.310 612 HB3 LYS 79 HB3 LYS 79 -9.187 10.152 28.125 613 HG2 LYS 79 HG2 LYS 79 -8.021 9.721 30.089 614 HG3 LYS 79 HG3 LYS 79 -8.040 11.483 29.984 615 HD2 LYS 79 HD2 LYS 79 -10.318 11.037 31.377 616 HD3 LYS 79 HD3 LYS 79 -9.328 9.684 31.928 617 HE2 LYS 79 HE2 LYS 79 -8.052 11.018 33.179 618 HE3 LYS 79 HE3 LYS 79 -7.824 12.158 31.854 619 HZ1 LYS 79 HZ1 LYS 79 -9.456 13.485 32.601 620 HZ2 LYS 79 HZ2 LYS 79 -9.163 12.727 34.084 621 HZ3 LYS 79 HZ3 LYS 79 -10.439 12.203 33.105 622 H VAL 80 H VAL 80 -11.804 11.658 26.639 623 HA VAL 80 HA VAL 80 -9.967 11.793 24.559 624 HB VAL 80 HB VAL 80 -12.855 12.681 24.555 625 HG11 VAL 80 HG11 VAL 80 -12.031 13.629 22.615 626 HG12 VAL 80 HG12 VAL 80 -10.848 12.344 22.365 627 HG13 VAL 80 HG13 VAL 80 -12.558 12.043 22.054 628 HG21 VAL 80 HG21 VAL 80 -11.595 10.058 23.756 629 HG22 VAL 80 HG22 VAL 80 -12.528 10.346 25.224 630 HG23 VAL 80 HG23 VAL 80 -13.308 10.463 23.647 631 H VAL 81 H VAL 81 -11.715 14.393 26.199 632 HA VAL 81 HA VAL 81 -11.198 16.548 24.601 633 HB VAL 81 HB VAL 81 -11.392 17.962 26.505 634 HG11 VAL 81 HG11 VAL 81 -13.263 16.156 25.871 635 HG12 VAL 81 HG12 VAL 81 -12.995 15.712 27.558 636 HG13 VAL 81 HG13 VAL 81 -13.479 17.357 27.144 637 HG21 VAL 81 HG21 VAL 81 -10.508 15.558 28.080 638 HG22 VAL 81 HG22 VAL 81 -9.738 17.141 27.977 639 HG23 VAL 81 HG23 VAL 81 -11.270 16.959 28.831 640 H GLU 82 H GLU 82 -9.003 15.079 26.965 641 HA GLU 82 HA GLU 82 -6.924 16.929 26.805 642 HB2 GLU 82 HB2 GLU 82 -7.251 14.169 27.736 643 HB3 GLU 82 HB3 GLU 82 -5.623 14.537 27.185 644 HG2 GLU 82 HG2 GLU 82 -7.068 16.293 29.136 645 HG3 GLU 82 HG3 GLU 82 -6.142 14.884 29.649 646 H ASP 83 H ASP 83 -7.452 13.960 24.923 647 HA ASP 83 HA ASP 83 -5.134 14.263 23.315 648 HB2 ASP 83 HB2 ASP 83 -7.661 12.718 22.696 649 HB3 ASP 83 HB3 ASP 83 -6.089 12.499 21.931 650 H TRP 84 H TRP 84 -8.431 15.401 23.058 651 HA TRP 84 HA TRP 84 -8.456 16.116 20.350 652 HB2 TRP 84 HB2 TRP 84 -10.258 16.242 22.407 653 HB3 TRP 84 HB3 TRP 84 -9.899 17.946 22.144 654 HD1 TRP 84 HD1 TRP 84 -12.380 15.605 21.148 655 HE1 TRP 84 HE1 TRP 84 -13.417 16.167 18.860 656 HE3 TRP 84 HE3 TRP 84 -8.850 18.886 19.441 657 HZ2 TRP 84 HZ2 TRP 84 -12.817 17.786 16.627 658 HZ3 TRP 84 HZ3 TRP 84 -9.156 19.897 17.218 659 HH2 TRP 84 HH2 TRP 84 -11.099 19.356 15.842 660 H LEU 85 H LEU 85 -8.138 18.395 23.077 661 HA LEU 85 HA LEU 85 -7.222 20.547 21.571 662 HB2 LEU 85 HB2 LEU 85 -6.655 19.877 24.455 663 HB3 LEU 85 HB3 LEU 85 -6.368 21.447 23.707 664 HG LEU 85 HG LEU 85 -8.382 22.000 24.488 665 HD11 LEU 85 HD11 LEU 85 -10.221 21.557 23.068 666 HD12 LEU 85 HD12 LEU 85 -9.524 20.032 22.521 667 HD13 LEU 85 HD13 LEU 85 -8.788 21.561 22.040 668 HD21 LEU 85 HD21 LEU 85 -9.699 19.393 24.652 669 HD22 LEU 85 HD22 LEU 85 -9.515 20.653 25.872 670 HD23 LEU 85 HD23 LEU 85 -8.206 19.506 25.585 671 H SER 86 H SER 86 -5.372 18.076 23.325 672 HA SER 86 HA SER 86 -2.815 19.017 22.985 673 HB2 SER 86 HB2 SER 86 -3.411 16.979 24.269 674 HB3 SER 86 HB3 SER 86 -3.672 16.122 22.750 675 HG SER 86 HG SER 86 -1.581 15.742 23.566 676 H LEU 87 H LEU 87 -4.541 16.830 20.759 677 HA LEU 87 HA LEU 87 -2.587 16.728 18.776 678 HB2 LEU 87 HB2 LEU 87 -4.215 15.153 18.471 679 HB3 LEU 87 HB3 LEU 87 -5.520 16.268 18.872 680 HG LEU 87 HG LEU 87 -5.093 17.355 16.620 681 HD11 LEU 87 HD11 LEU 87 -3.000 16.634 15.941 682 HD12 LEU 87 HD12 LEU 87 -4.085 15.625 14.986 683 HD13 LEU 87 HD13 LEU 87 -3.304 14.965 16.422 684 HD21 LEU 87 HD21 LEU 87 -6.065 15.116 15.481 685 HD22 LEU 87 HD22 LEU 87 -7.024 16.201 16.488 686 HD23 LEU 87 HD23 LEU 87 -6.325 14.739 17.185 687 H VAL 88 H VAL 88 -5.609 18.617 18.582 688 HA VAL 88 HA VAL 88 -4.962 20.165 16.397 689 HB VAL 88 HB VAL 88 -7.192 20.091 17.534 690 HG11 VAL 88 HG11 VAL 88 -6.458 20.439 19.823 691 HG12 VAL 88 HG12 VAL 88 -5.889 22.059 19.413 692 HG13 VAL 88 HG13 VAL 88 -7.612 21.686 19.353 693 HG21 VAL 88 HG21 VAL 88 -6.057 22.825 16.956 694 HG22 VAL 88 HG22 VAL 88 -6.735 21.706 15.774 695 HG23 VAL 88 HG23 VAL 88 -7.773 22.420 17.008 696 H LYS 89 H LYS 89 -3.745 20.375 19.619 697 HA LYS 89 HA LYS 89 -2.699 23.062 19.267 698 HB2 LYS 89 HB2 LYS 89 -2.665 21.067 21.513 699 HB3 LYS 89 HB3 LYS 89 -1.611 22.475 21.548 700 HG2 LYS 89 HG2 LYS 89 -3.486 23.960 21.505 701 HG3 LYS 89 HG3 LYS 89 -4.602 22.617 21.245 702 HD2 LYS 89 HD2 LYS 89 -4.727 23.226 23.550 703 HD3 LYS 89 HD3 LYS 89 -3.863 21.690 23.451 704 HE2 LYS 89 HE2 LYS 89 -2.111 24.017 23.292 705 HE3 LYS 89 HE3 LYS 89 -3.020 23.935 24.800 706 HZ1 LYS 89 HZ1 LYS 89 -1.098 21.980 23.702 707 HZ2 LYS 89 HZ2 LYS 89 -2.235 21.523 24.868 708 HZ3 LYS 89 HZ3 LYS 89 -1.098 22.726 25.221 709 H ALA 90 H ALA 90 -1.672 19.793 18.872 710 HA ALA 90 HA ALA 90 1.153 20.491 18.838 711 HB1 ALA 90 HB1 ALA 90 -0.171 17.840 18.276 712 HB2 ALA 90 HB2 ALA 90 1.553 18.124 18.517 713 HB3 ALA 90 HB3 ALA 90 0.424 18.368 19.850 714 H LYS 91 H LYS 91 -1.092 18.882 16.574 715 HA LYS 91 HA LYS 91 0.432 18.826 14.319 716 HB2 LYS 91 HB2 LYS 91 -1.808 19.264 13.085 717 HB3 LYS 91 HB3 LYS 91 -1.659 17.834 14.097 718 HG2 LYS 91 HG2 LYS 91 -3.498 18.472 15.148 719 HG3 LYS 91 HG3 LYS 91 -2.592 19.842 15.796 720 HD2 LYS 91 HD2 LYS 91 -3.611 20.142 13.040 721 HD3 LYS 91 HD3 LYS 91 -4.829 20.096 14.318 722 HE2 LYS 91 HE2 LYS 91 -2.967 21.785 15.377 723 HE3 LYS 91 HE3 LYS 91 -2.855 22.162 13.658 724 HZ1 LYS 91 HZ1 LYS 91 -4.828 22.949 15.494 725 HZ2 LYS 91 HZ2 LYS 91 -5.559 21.984 14.313 726 HZ3 LYS 91 HZ3 LYS 91 -4.688 23.361 13.860 727 H PHE 92 H PHE 92 -1.188 21.611 15.709 728 HA PHE 92 HA PHE 92 -0.487 23.310 13.464 729 HB2 PHE 92 HB2 PHE 92 -2.499 24.048 14.284 730 HB3 PHE 92 HB3 PHE 92 -2.108 23.606 15.943 731 HD1 PHE 92 HD1 PHE 92 -1.092 26.028 13.299 732 HD2 PHE 92 HD2 PHE 92 -1.632 25.274 17.453 733 HE1 PHE 92 HE1 PHE 92 -0.553 28.377 13.792 734 HE2 PHE 92 HE2 PHE 92 -1.094 27.622 17.953 735 HZ PHE 92 HZ PHE 92 -0.554 29.177 16.121 736 H CYS 93 H CYS 93 0.613 22.635 16.716 737 HA CYS 93 HA CYS 93 2.445 24.859 16.785 738 HB2 CYS 93 HB2 CYS 93 1.425 24.011 18.853 739 HB3 CYS 93 HB3 CYS 93 2.209 22.455 18.606 740 HG CYS 93 HG CYS 93 3.567 25.390 19.625 741 H GLU 94 H GLU 94 2.452 21.784 15.404 742 HA GLU 94 HA GLU 94 5.379 21.587 15.461 743 HB2 GLU 94 HB2 GLU 94 5.079 19.311 14.628 744 HB3 GLU 94 HB3 GLU 94 4.142 19.568 16.093 745 HG2 GLU 94 HG2 GLU 94 2.361 18.812 15.031 746 HG3 GLU 94 HG3 GLU 94 2.435 20.220 13.974 747 H ALA 95 H ALA 95 2.664 22.131 13.349 748 HA ALA 95 HA ALA 95 4.541 22.521 11.110 749 HB1 ALA 95 HB1 ALA 95 3.175 20.541 10.719 750 HB2 ALA 95 HB2 ALA 95 1.709 21.497 10.941 751 HB3 ALA 95 HB3 ALA 95 2.773 21.820 9.572 752 HA PRO 96 HA PRO 96 3.042 26.635 10.769 753 HB2 PRO 96 HB2 PRO 96 3.290 27.053 8.098 754 HB3 PRO 96 HB3 PRO 96 4.677 26.967 9.190 755 HG2 PRO 96 HG2 PRO 96 3.550 24.857 7.389 756 HG3 PRO 96 HG3 PRO 96 5.245 25.292 7.680 757 HD2 PRO 96 HD2 PRO 96 4.065 23.157 8.857 758 HD3 PRO 96 HD3 PRO 96 5.343 24.100 9.651 759 H GLY 97 H GLY 97 0.835 26.104 11.369 760 HA2 GLY 97 HA2 GLY 97 -1.437 25.998 11.025 761 HA3 GLY 97 HA3 GLY 97 -1.103 27.077 9.678 762 H SER 98 H SER 98 0.294 23.911 9.684 763 HA SER 98 HA SER 98 -0.762 23.220 7.188 764 HB2 SER 98 HB2 SER 98 0.492 21.566 9.378 765 HB3 SER 98 HB3 SER 98 -0.018 20.861 7.844 766 HG SER 98 HG SER 98 1.706 21.654 6.958 767 H CYS 99 H CYS 99 -1.760 20.712 7.251 768 HA CYS 99 HA CYS 99 -4.366 21.104 8.552 769 HB2 CYS 99 HB2 CYS 99 -3.598 19.435 6.150 770 HB3 CYS 99 HB3 CYS 99 -5.208 19.474 6.860 771 HG CYS 99 HG CYS 99 -4.482 21.128 4.395 772 H VAL 100 H VAL 100 -5.488 19.148 9.311 773 HA VAL 100 HA VAL 100 -3.586 17.161 10.375 774 HB VAL 100 HB VAL 100 -5.949 17.206 11.959 775 HG11 VAL 100 HG11 VAL 100 -3.105 18.043 12.508 776 HG12 VAL 100 HG12 VAL 100 -4.337 17.795 13.747 777 HG13 VAL 100 HG13 VAL 100 -3.805 16.442 12.748 778 HG21 VAL 100 HG21 VAL 100 -4.691 19.919 11.568 779 HG22 VAL 100 HG22 VAL 100 -6.352 19.463 11.190 780 HG23 VAL 100 HG23 VAL 100 -5.808 19.500 12.867 781 H ALA 101 H ALA 101 -3.848 15.323 9.288 782 HA ALA 101 HA ALA 101 -6.366 14.598 8.092 783 HB1 ALA 101 HB1 ALA 101 -3.817 14.082 7.406 784 HB2 ALA 101 HB2 ALA 101 -4.220 12.582 8.241 785 HB3 ALA 101 HB3 ALA 101 -5.189 13.113 6.866 786 H VAL 102 H VAL 102 -7.950 13.560 9.093 787 HA VAL 102 HA VAL 102 -7.273 11.712 11.283 788 HB VAL 102 HB VAL 102 -9.268 12.393 12.501 789 HG11 VAL 102 HG11 VAL 102 -7.008 13.591 12.712 790 HG12 VAL 102 HG12 VAL 102 -7.790 14.924 11.861 791 HG13 VAL 102 HG13 VAL 102 -8.426 14.372 13.411 792 HG21 VAL 102 HG21 VAL 102 -9.621 14.386 10.266 793 HG22 VAL 102 HG22 VAL 102 -10.703 13.060 10.690 794 HG23 VAL 102 HG23 VAL 102 -10.510 14.426 11.789 795 H HIS 103 H HIS 103 -8.602 9.898 11.514 796 HA HIS 103 HA HIS 103 -9.798 8.974 9.077 797 HB2 HIS 103 HB2 HIS 103 -8.776 7.799 11.460 798 HB3 HIS 103 HB3 HIS 103 -10.437 7.248 11.259 799 HD1 HIS 103 HD1 HIS 103 -7.733 5.546 10.869 800 HD2 HIS 103 HD2 HIS 103 -10.196 7.067 7.888 801 HE1 HIS 103 HE1 HIS 103 -7.306 4.112 8.847 802 H CYS 104 H CYS 104 -11.908 8.802 8.547 803 HA CYS 104 HA CYS 104 -13.972 9.157 10.554 804 HB2 CYS 104 HB2 CYS 104 -13.549 11.460 10.005 805 HB3 CYS 104 HB3 CYS 104 -13.572 11.107 8.281 806 HG CYS 104 HG CYS 104 -16.002 12.167 10.093 807 H VAL 105 H VAL 105 -15.681 7.917 10.104 808 HA VAL 105 HA VAL 105 -15.713 6.419 7.633 809 HB VAL 105 HB VAL 105 -16.271 5.056 9.423 810 HG11 VAL 105 HG11 VAL 105 -17.388 7.502 10.529 811 HG12 VAL 105 HG12 VAL 105 -18.396 6.088 10.843 812 HG13 VAL 105 HG13 VAL 105 -16.705 6.098 11.348 813 HG21 VAL 105 HG21 VAL 105 -18.091 5.360 7.472 814 HG22 VAL 105 HG22 VAL 105 -18.245 4.168 8.763 815 HG23 VAL 105 HG23 VAL 105 -19.099 5.708 8.877 816 H ALA 106 H ALA 106 -18.581 7.670 9.265 817 HA ALA 106 HA ALA 106 -19.443 8.828 6.696 818 HB1 ALA 106 HB1 ALA 106 -20.699 6.901 8.200 819 HB2 ALA 106 HB2 ALA 106 -21.550 8.377 8.656 820 HB3 ALA 106 HB3 ALA 106 -21.456 7.901 6.960 821 H GLY 107 H GLY 107 -19.106 9.373 10.140 822 HA2 GLY 107 HA2 GLY 107 -18.533 11.778 10.618 823 HA3 GLY 107 HA3 GLY 107 -20.005 12.158 9.737 824 H LEU 108 H LEU 108 -21.938 12.099 10.774 825 HA LEU 108 HA LEU 108 -23.155 12.507 12.715 826 HB2 LEU 108 HB2 LEU 108 -22.519 9.564 12.862 827 HB3 LEU 108 HB3 LEU 108 -23.853 10.365 13.690 828 HG LEU 108 HG LEU 108 -23.524 9.971 10.718 829 HD11 LEU 108 HD11 LEU 108 -25.566 8.940 12.682 830 HD12 LEU 108 HD12 LEU 108 -24.275 7.999 11.937 831 HD13 LEU 108 HD13 LEU 108 -25.571 8.661 10.941 832 HD21 LEU 108 HD21 LEU 108 -24.758 11.801 10.449 833 HD22 LEU 108 HD22 LEU 108 -24.997 11.975 12.188 834 HD23 LEU 108 HD23 LEU 108 -26.076 10.942 11.249 835 H GLY 109 H GLY 109 -23.157 11.060 15.141 836 HA2 GLY 109 HA2 GLY 109 -22.179 12.104 17.142 837 HA3 GLY 109 HA3 GLY 109 -21.457 10.525 16.874 838 H ARG 110 H ARG 110 -19.327 10.366 16.276 839 HA ARG 110 HA ARG 110 -17.418 11.971 17.155 840 HB2 ARG 110 HB2 ARG 110 -16.006 11.291 15.124 841 HB3 ARG 110 HB3 ARG 110 -16.690 10.003 16.106 842 HG2 ARG 110 HG2 ARG 110 -18.605 9.969 14.422 843 HG3 ARG 110 HG3 ARG 110 -17.552 10.944 13.395 844 HD2 ARG 110 HD2 ARG 110 -17.126 8.145 14.396 845 HD3 ARG 110 HD3 ARG 110 -17.187 8.717 12.730 846 HE ARG 110 HE ARG 110 -15.053 9.990 14.001 847 HH11 ARG 110 HH11 ARG 110 -16.003 6.789 13.013 848 HH12 ARG 110 HH12 ARG 110 -14.377 6.237 12.783 849 HH21 ARG 110 HH21 ARG 110 -12.908 9.274 13.701 850 HH22 ARG 110 HH22 ARG 110 -12.617 7.651 13.176 851 H ALA 111 H ALA 111 -18.745 12.372 13.869 852 HA ALA 111 HA ALA 111 -17.421 14.494 12.906 853 HB1 ALA 111 HB1 ALA 111 -19.916 15.281 12.226 854 HB2 ALA 111 HB2 ALA 111 -19.037 13.975 11.429 855 HB3 ALA 111 HB3 ALA 111 -20.215 13.605 12.687 856 HA PRO 112 HA PRO 112 -19.896 17.902 15.160 857 HB2 PRO 112 HB2 PRO 112 -22.034 17.192 16.675 858 HB3 PRO 112 HB3 PRO 112 -22.148 17.506 14.939 859 HG2 PRO 112 HG2 PRO 112 -21.964 14.890 16.382 860 HG3 PRO 112 HG3 PRO 112 -23.000 15.344 15.017 861 HD2 PRO 112 HD2 PRO 112 -20.722 13.913 14.705 862 HD3 PRO 112 HD3 PRO 112 -21.311 15.050 13.476 863 H VAL 113 H VAL 113 -20.488 15.118 17.320 864 HA VAL 113 HA VAL 113 -19.936 16.175 19.738 865 HB VAL 113 HB VAL 113 -19.281 14.023 20.536 866 HG11 VAL 113 HG11 VAL 113 -21.158 13.641 18.205 867 HG12 VAL 113 HG12 VAL 113 -21.021 12.593 19.618 868 HG13 VAL 113 HG13 VAL 113 -21.612 14.246 19.797 869 HG21 VAL 113 HG21 VAL 113 -17.570 13.205 19.258 870 HG22 VAL 113 HG22 VAL 113 -18.898 12.219 18.646 871 HG23 VAL 113 HG23 VAL 113 -18.355 13.628 17.736 872 H LEU 114 H LEU 114 -17.546 15.231 17.321 873 HA LEU 114 HA LEU 114 -15.288 15.741 18.999 874 HB2 LEU 114 HB2 LEU 114 -15.648 15.280 16.057 875 HB3 LEU 114 HB3 LEU 114 -14.080 15.717 16.732 876 HG LEU 114 HG LEU 114 -15.678 13.222 17.285 877 HD11 LEU 114 HD11 LEU 114 -12.890 13.479 16.195 878 HD12 LEU 114 HD12 LEU 114 -14.316 13.441 15.158 879 HD13 LEU 114 HD13 LEU 114 -13.944 12.065 16.196 880 HD21 LEU 114 HD21 LEU 114 -13.167 14.255 18.591 881 HD22 LEU 114 HD22 LEU 114 -13.718 12.583 18.696 882 HD23 LEU 114 HD23 LEU 114 -14.707 13.881 19.366 883 H VAL 115 H VAL 115 -16.347 17.393 16.016 884 HA VAL 115 HA VAL 115 -14.759 19.633 16.215 885 HB VAL 115 HB VAL 115 -16.268 20.761 14.740 886 HG11 VAL 115 HG11 VAL 115 -16.962 18.315 13.501 887 HG12 VAL 115 HG12 VAL 115 -15.599 19.376 13.139 888 HG13 VAL 115 HG13 VAL 115 -15.416 18.075 14.316 889 HG21 VAL 115 HG21 VAL 115 -18.324 18.714 15.567 890 HG22 VAL 115 HG22 VAL 115 -18.341 20.436 15.948 891 HG23 VAL 115 HG23 VAL 115 -18.535 19.900 14.279 892 H ALA 116 H ALA 116 -17.689 18.875 17.950 893 HA ALA 116 HA ALA 116 -18.238 21.494 18.902 894 HB1 ALA 116 HB1 ALA 116 -19.022 18.892 20.203 895 HB2 ALA 116 HB2 ALA 116 -19.806 20.462 20.380 896 HB3 ALA 116 HB3 ALA 116 -19.877 19.611 18.838 897 H LEU 117 H LEU 117 -16.595 18.696 20.363 898 HA LEU 117 HA LEU 117 -16.020 19.776 22.846 899 HB2 LEU 117 HB2 LEU 117 -15.624 17.414 21.988 900 HB3 LEU 117 HB3 LEU 117 -14.111 18.025 21.323 901 HG LEU 117 HG LEU 117 -13.910 16.823 23.511 902 HD11 LEU 117 HD11 LEU 117 -12.219 18.223 24.300 903 HD12 LEU 117 HD12 LEU 117 -13.059 19.685 23.787 904 HD13 LEU 117 HD13 LEU 117 -12.334 18.617 22.585 905 HD21 LEU 117 HD21 LEU 117 -16.008 17.713 24.486 906 HD22 LEU 117 HD22 LEU 117 -15.238 19.295 24.617 907 HD23 LEU 117 HD23 LEU 117 -14.604 17.927 25.533 908 H ALA 118 H ALA 118 -14.043 19.907 19.890 909 HA ALA 118 HA ALA 118 -11.993 21.500 21.039 910 HB1 ALA 118 HB1 ALA 118 -10.951 20.992 19.147 911 HB2 ALA 118 HB2 ALA 118 -12.412 20.162 18.609 912 HB3 ALA 118 HB3 ALA 118 -12.159 21.859 18.199 913 H LEU 119 H LEU 119 -14.880 22.243 19.138 914 HA LEU 119 HA LEU 119 -14.394 24.968 18.722 915 HB2 LEU 119 HB2 LEU 119 -16.115 24.123 17.443 916 HB3 LEU 119 HB3 LEU 119 -16.835 23.257 18.798 917 HG LEU 119 HG LEU 119 -17.708 25.352 19.689 918 HD11 LEU 119 HD11 LEU 119 -17.379 27.438 18.722 919 HD12 LEU 119 HD12 LEU 119 -16.806 26.753 17.201 920 HD13 LEU 119 HD13 LEU 119 -15.782 26.695 18.635 921 HD21 LEU 119 HD21 LEU 119 -19.130 24.128 18.184 922 HD22 LEU 119 HD22 LEU 119 -18.345 24.858 16.783 923 HD23 LEU 119 HD23 LEU 119 -19.316 25.853 17.869 924 H ILE 120 H ILE 120 -15.917 23.265 21.413 925 HA ILE 120 HA ILE 120 -16.768 25.587 22.802 926 HB ILE 120 HB ILE 120 -16.582 22.706 23.398 927 HG12 ILE 120 HG12 ILE 120 -18.832 23.168 24.351 928 HG13 ILE 120 HG13 ILE 120 -18.593 24.880 24.020 929 HG21 ILE 120 HG21 ILE 120 -15.342 23.408 25.289 930 HG22 ILE 120 HG22 ILE 120 -16.406 24.787 25.561 931 HG23 ILE 120 HG23 ILE 120 -16.996 23.150 25.846 932 HD11 ILE 120 HD11 ILE 120 -18.573 24.491 21.669 933 HD12 ILE 120 HD12 ILE 120 -18.567 22.743 21.907 934 HD13 ILE 120 HD13 ILE 120 -19.989 23.689 22.349 935 H GLU 121 H GLU 121 -13.893 23.525 23.075 936 HA GLU 121 HA GLU 121 -12.743 24.914 25.255 937 HB2 GLU 121 HB2 GLU 121 -11.532 23.131 23.141 938 HB3 GLU 121 HB3 GLU 121 -10.616 23.782 24.493 939 HG2 GLU 121 HG2 GLU 121 -13.119 22.354 25.145 940 HG3 GLU 121 HG3 GLU 121 -11.777 21.386 24.538 941 H SER 122 H SER 122 -12.852 25.527 21.856 942 HA SER 122 HA SER 122 -10.571 27.175 21.621 943 HB2 SER 122 HB2 SER 122 -11.266 27.555 19.468 944 HB3 SER 122 HB3 SER 122 -12.249 26.134 19.820 945 HG SER 122 HG SER 122 -13.006 28.843 19.723 946 H GLY 123 H GLY 123 -13.690 27.696 22.987 947 HA2 GLY 123 HA2 GLY 123 -13.647 29.663 24.559 948 HA3 GLY 123 HA3 GLY 123 -13.134 30.593 23.159 949 H MET 124 H MET 124 -15.501 28.056 22.860 950 HA MET 124 HA MET 124 -17.564 30.113 22.420 951 HB2 MET 124 HB2 MET 124 -16.621 28.218 20.634 952 HB3 MET 124 HB3 MET 124 -18.109 27.502 21.237 953 HG2 MET 124 HG2 MET 124 -18.842 28.687 19.411 954 HG3 MET 124 HG3 MET 124 -19.145 29.814 20.731 955 HE1 MET 124 HE1 MET 124 -18.892 32.188 20.139 956 HE2 MET 124 HE2 MET 124 -17.577 31.902 21.279 957 HE3 MET 124 HE3 MET 124 -17.296 32.876 19.835 958 H LYS 125 H LYS 125 -19.718 29.631 23.060 959 HA LYS 125 HA LYS 125 -19.871 28.211 25.538 960 HB2 LYS 125 HB2 LYS 125 -22.452 28.880 24.409 961 HB3 LYS 125 HB3 LYS 125 -21.682 29.483 25.870 962 HG2 LYS 125 HG2 LYS 125 -20.321 30.985 24.306 963 HG3 LYS 125 HG3 LYS 125 -21.522 30.567 23.082 964 HD2 LYS 125 HD2 LYS 125 -22.572 32.393 23.912 965 HD3 LYS 125 HD3 LYS 125 -23.156 31.233 25.107 966 HE2 LYS 125 HE2 LYS 125 -21.240 31.848 26.560 967 HE3 LYS 125 HE3 LYS 125 -20.790 33.084 25.385 968 HZ1 LYS 125 HZ1 LYS 125 -22.043 34.288 26.850 969 HZ2 LYS 125 HZ2 LYS 125 -23.084 33.007 27.214 970 HZ3 LYS 125 HZ3 LYS 125 -23.243 33.834 25.747 971 H TYR 126 H TYR 126 -20.760 26.257 25.988 972 HA TYR 126 HA TYR 126 -20.820 24.254 24.074 973 HB2 TYR 126 HB2 TYR 126 -20.811 23.150 26.027 974 HB3 TYR 126 HB3 TYR 126 -21.515 24.516 26.885 975 HD1 TYR 126 HD2 TYR 126 -22.444 21.688 24.641 976 HD2 TYR 126 HD1 TYR 126 -23.688 24.368 27.703 977 HE1 TYR 126 HE2 TYR 126 -24.562 20.456 24.851 978 HE2 TYR 126 HE1 TYR 126 -25.809 23.143 27.922 979 HH TYR 126 HH TYR 126 -26.438 20.420 27.253 980 H GLU 127 H GLU 127 -23.552 26.041 25.487 981 HA GLU 127 HA GLU 127 -25.593 24.740 24.083 982 HB2 GLU 127 HB2 GLU 127 -25.450 27.555 25.168 983 HB3 GLU 127 HB3 GLU 127 -26.918 26.824 24.535 984 HG2 GLU 127 HG2 GLU 127 -26.258 24.946 26.304 985 HG3 GLU 127 HG3 GLU 127 -25.494 26.333 27.077 986 H ASP 128 H ASP 128 -24.070 27.884 23.361 987 HA ASP 128 HA ASP 128 -25.332 28.432 20.974 988 HB2 ASP 128 HB2 ASP 128 -23.323 29.606 22.421 989 HB3 ASP 128 HB3 ASP 128 -22.469 29.099 20.966 990 H ALA 129 H ALA 129 -22.185 26.793 21.348 991 HA ALA 129 HA ALA 129 -21.725 26.180 18.692 992 HB1 ALA 129 HB1 ALA 129 -20.844 25.038 21.277 993 HB2 ALA 129 HB2 ALA 129 -20.586 24.057 19.834 994 HB3 ALA 129 HB3 ALA 129 -19.895 25.676 19.934 995 H ILE 130 H ILE 130 -23.492 24.271 21.113 996 HA ILE 130 HA ILE 130 -24.042 22.028 19.572 997 HB ILE 130 HB ILE 130 -25.620 23.327 21.782 998 HG12 ILE 130 HG12 ILE 130 -24.087 22.284 23.040 999 HG13 ILE 130 HG13 ILE 130 -24.748 20.753 22.476 1000 HG21 ILE 130 HG21 ILE 130 -26.298 20.974 20.090 1001 HG22 ILE 130 HG22 ILE 130 -26.703 20.935 21.805 1002 HG23 ILE 130 HG23 ILE 130 -27.350 22.212 20.776 1003 HD11 ILE 130 HD11 ILE 130 -22.367 20.785 22.159 1004 HD12 ILE 130 HD12 ILE 130 -23.168 20.808 20.588 1005 HD13 ILE 130 HD13 ILE 130 -22.474 22.290 21.245 1006 H GLN 131 H GLN 131 -26.135 24.877 20.060 1007 HA GLN 131 HA GLN 131 -28.197 24.190 18.368 1008 HB2 GLN 131 HB2 GLN 131 -27.028 26.853 19.123 1009 HB3 GLN 131 HB3 GLN 131 -28.393 26.745 18.020 1010 HG2 GLN 131 HG2 GLN 131 -28.506 26.869 20.771 1011 HG3 GLN 131 HG3 GLN 131 -29.821 26.429 19.682 1012 HE21 GLN 131 HE21 GLN 131 -27.545 25.325 22.008 1013 HE22 GLN 131 HE22 GLN 131 -28.102 23.693 22.104 1014 H PHE 132 H PHE 132 -25.030 25.447 17.575 1015 HA PHE 132 HA PHE 132 -25.601 26.090 14.865 1016 HB2 PHE 132 HB2 PHE 132 -23.631 26.894 16.309 1017 HB3 PHE 132 HB3 PHE 132 -22.877 25.352 15.916 1018 HD1 PHE 132 HD1 PHE 132 -24.900 27.686 13.836 1019 HD2 PHE 132 HD2 PHE 132 -21.140 25.793 14.467 1020 HE1 PHE 132 HE1 PHE 132 -24.070 28.637 11.723 1021 HE2 PHE 132 HE2 PHE 132 -20.305 26.741 12.356 1022 HZ PHE 132 HZ PHE 132 -21.770 28.166 10.981 1023 H ILE 133 H ILE 133 -23.521 23.484 16.133 1024 HA ILE 133 HA ILE 133 -23.462 22.014 13.746 1025 HB ILE 133 HB ILE 133 -22.729 20.096 15.181 1026 HG12 ILE 133 HG12 ILE 133 -22.633 21.958 17.513 1027 HG13 ILE 133 HG13 ILE 133 -24.154 21.148 17.157 1028 HG21 ILE 133 HG21 ILE 133 -20.642 20.922 15.180 1029 HG22 ILE 133 HG22 ILE 133 -21.385 22.338 14.439 1030 HG23 ILE 133 HG23 ILE 133 -21.082 22.308 16.176 1031 HD11 ILE 133 HD11 ILE 133 -23.321 19.074 17.665 1032 HD12 ILE 133 HD12 ILE 133 -21.653 19.543 17.332 1033 HD13 ILE 133 HD13 ILE 133 -22.445 20.092 18.809 1034 H ARG 134 H ARG 134 -25.911 22.335 16.103 1035 HA ARG 134 HA ARG 134 -27.194 19.808 15.501 1036 HB2 ARG 134 HB2 ARG 134 -27.301 20.764 17.773 1037 HB3 ARG 134 HB3 ARG 134 -28.176 22.152 17.139 1038 HG2 ARG 134 HG2 ARG 134 -29.725 20.120 16.243 1039 HG3 ARG 134 HG3 ARG 134 -29.117 19.445 17.757 1040 HD2 ARG 134 HD2 ARG 134 -29.774 21.784 18.720 1041 HD3 ARG 134 HD3 ARG 134 -30.810 21.862 17.296 1042 HE ARG 134 HE ARG 134 -31.092 19.432 18.809 1043 HH11 ARG 134 HH11 ARG 134 -32.145 22.732 18.456 1044 HH12 ARG 134 HH12 ARG 134 -33.667 22.467 19.241 1045 HH21 ARG 134 HH21 ARG 134 -33.092 19.071 19.843 1046 HH22 ARG 134 HH22 ARG 134 -34.204 20.385 20.030 1047 H GLN 135 H GLN 135 -27.717 23.246 14.848 1048 HA GLN 135 HA GLN 135 -30.161 22.886 13.443 1049 HB2 GLN 135 HB2 GLN 135 -29.991 25.188 12.858 1050 HB3 GLN 135 HB3 GLN 135 -29.365 25.032 14.493 1051 HG2 GLN 135 HG2 GLN 135 -27.161 25.344 13.810 1052 HG3 GLN 135 HG3 GLN 135 -27.536 24.990 12.125 1053 HE21 GLN 135 HE21 GLN 135 -26.163 27.103 12.220 1054 HE22 GLN 135 HE22 GLN 135 -27.084 28.562 12.150 1055 H LYS 136 H LYS 136 -26.828 22.603 12.578 1056 HA LYS 136 HA LYS 136 -27.400 22.678 9.721 1057 HB2 LYS 136 HB2 LYS 136 -25.025 22.565 9.393 1058 HB3 LYS 136 HB3 LYS 136 -25.344 23.746 10.657 1059 HG2 LYS 136 HG2 LYS 136 -23.852 22.683 11.899 1060 HG3 LYS 136 HG3 LYS 136 -24.998 21.346 12.014 1061 HD2 LYS 136 HD2 LYS 136 -23.701 21.129 9.510 1062 HD3 LYS 136 HD3 LYS 136 -22.452 21.422 10.723 1063 HE2 LYS 136 HE2 LYS 136 -24.054 19.587 11.969 1064 HE3 LYS 136 HE3 LYS 136 -24.142 19.073 10.285 1065 HZ1 LYS 136 HZ1 LYS 136 -21.752 18.954 10.204 1066 HZ2 LYS 136 HZ2 LYS 136 -22.312 18.018 11.497 1067 HZ3 LYS 136 HZ3 LYS 136 -21.622 19.535 11.788 1068 H ARG 137 H ARG 137 -28.457 20.557 11.509 1069 HA ARG 137 HA ARG 137 -28.184 18.365 9.806 1070 HB2 ARG 137 HB2 ARG 137 -25.928 18.633 11.401 1071 HB3 ARG 137 HB3 ARG 137 -26.886 17.417 12.235 1072 HG2 ARG 137 HG2 ARG 137 -26.915 16.012 10.310 1073 HG3 ARG 137 HG3 ARG 137 -26.189 17.274 9.313 1074 HD2 ARG 137 HD2 ARG 137 -24.519 16.823 11.577 1075 HD3 ARG 137 HD3 ARG 137 -24.895 15.268 10.837 1076 HE ARG 137 HE ARG 137 -24.077 17.293 8.962 1077 HH11 ARG 137 HH11 ARG 137 -23.019 14.776 11.122 1078 HH12 ARG 137 HH12 ARG 137 -21.520 14.515 10.293 1079 HH21 ARG 137 HH21 ARG 137 -22.107 16.959 7.862 1080 HH22 ARG 137 HH22 ARG 137 -21.002 15.758 8.440 1081 H ARG 138 H ARG 138 -28.598 16.218 11.444 1082 HA ARG 138 HA ARG 138 -31.016 17.011 12.930 1083 HB2 ARG 138 HB2 ARG 138 -30.465 14.368 11.570 1084 HB3 ARG 138 HB3 ARG 138 -31.958 14.838 12.371 1085 HG2 ARG 138 HG2 ARG 138 -30.807 16.100 9.891 1086 HG3 ARG 138 HG3 ARG 138 -32.175 14.986 9.959 1087 HD2 ARG 138 HD2 ARG 138 -33.373 16.618 11.386 1088 HD3 ARG 138 HD3 ARG 138 -32.026 17.738 11.184 1089 HE ARG 138 HE ARG 138 -34.122 17.237 9.325 1090 HH11 ARG 138 HH11 ARG 138 -30.747 18.051 9.569 1091 HH12 ARG 138 HH12 ARG 138 -30.698 18.865 8.040 1092 HH21 ARG 138 HH21 ARG 138 -34.072 18.305 7.310 1093 HH22 ARG 138 HH22 ARG 138 -32.590 19.010 6.757 1094 H GLY 139 H GLY 139 -30.377 17.102 15.016 1095 HA2 GLY 139 HA2 GLY 139 -29.541 16.435 17.051 1096 HA3 GLY 139 HA3 GLY 139 -30.076 14.834 16.560 1097 H ALA 140 H ALA 140 -27.387 17.111 16.043 1098 HA ALA 140 HA ALA 140 -25.569 14.983 15.367 1099 HB1 ALA 140 HB1 ALA 140 -24.416 16.635 14.441 1100 HB2 ALA 140 HB2 ALA 140 -25.631 17.773 15.024 1101 HB3 ALA 140 HB3 ALA 140 -24.211 17.418 16.008 1102 H ILE 141 H ILE 141 -25.484 17.445 17.953 1103 HA ILE 141 HA ILE 141 -23.854 15.634 19.566 1104 HB ILE 141 HB ILE 141 -23.097 17.965 19.319 1105 HG12 ILE 141 HG12 ILE 141 -23.163 18.441 21.935 1106 HG13 ILE 141 HG13 ILE 141 -23.801 16.801 21.974 1107 HG21 ILE 141 HG21 ILE 141 -24.760 19.376 21.058 1108 HG22 ILE 141 HG22 ILE 141 -24.616 19.586 19.314 1109 HG23 ILE 141 HG23 ILE 141 -25.848 18.511 19.973 1110 HD11 ILE 141 HD11 ILE 141 -21.496 16.582 22.288 1111 HD12 ILE 141 HD12 ILE 141 -21.767 16.152 20.599 1112 HD13 ILE 141 HD13 ILE 141 -21.124 17.741 21.012 1113 H ASN 142 H ASN 142 -27.078 16.519 19.204 1114 HA ASN 142 HA ASN 142 -28.124 16.682 21.741 1115 HB2 ASN 142 HB2 ASN 142 -29.186 16.504 19.237 1116 HB3 ASN 142 HB3 ASN 142 -29.664 14.951 19.917 1117 HD21 ASN 142 HD21 ASN 142 -31.439 16.999 19.179 1118 HD22 ASN 142 HD22 ASN 142 -32.242 17.554 20.604 1119 H SER 143 H SER 143 -29.110 15.125 23.143 1120 HA SER 143 HA SER 143 -29.377 13.074 24.157 1121 HB2 SER 143 HB2 SER 143 -27.510 11.752 22.216 1122 HB3 SER 143 HB3 SER 143 -28.901 11.074 23.062 1123 HG SER 143 HG SER 143 -30.148 11.714 21.494 1124 H LYS 144 H LYS 144 -27.146 11.096 24.164 1125 HA LYS 144 HA LYS 144 -25.825 11.700 26.432 1126 HB2 LYS 144 HB2 LYS 144 -24.677 10.289 24.017 1127 HB3 LYS 144 HB3 LYS 144 -23.946 10.265 25.617 1128 HG2 LYS 144 HG2 LYS 144 -25.391 8.741 26.392 1129 HG3 LYS 144 HG3 LYS 144 -26.766 9.473 25.562 1130 HD2 LYS 144 HD2 LYS 144 -24.700 8.061 23.943 1131 HD3 LYS 144 HD3 LYS 144 -25.857 7.100 24.866 1132 HE2 LYS 144 HE2 LYS 144 -27.209 7.334 23.102 1133 HE3 LYS 144 HE3 LYS 144 -27.453 8.985 23.669 1134 HZ1 LYS 144 HZ1 LYS 144 -25.316 8.195 21.769 1135 HZ2 LYS 144 HZ2 LYS 144 -25.771 9.766 22.200 1136 HZ3 LYS 144 HZ3 LYS 144 -26.822 8.801 21.291 1137 H GLN 145 H GLN 145 -24.335 12.281 23.239 1138 HA GLN 145 HA GLN 145 -22.104 13.632 23.918 1139 HB2 GLN 145 HB2 GLN 145 -23.727 14.892 21.764 1140 HB3 GLN 145 HB3 GLN 145 -22.027 14.441 21.770 1141 HG2 GLN 145 HG2 GLN 145 -24.401 12.633 21.416 1142 HG3 GLN 145 HG3 GLN 145 -23.160 13.031 20.229 1143 HE21 GLN 145 HE21 GLN 145 -20.893 12.783 21.792 1144 HE22 GLN 145 HE22 GLN 145 -20.692 11.126 22.238 1145 H LEU 146 H LEU 146 -25.339 15.077 23.688 1146 HA LEU 146 HA LEU 146 -24.708 17.714 24.213 1147 HB2 LEU 146 HB2 LEU 146 -27.021 16.225 23.963 1148 HB3 LEU 146 HB3 LEU 146 -27.111 16.852 25.608 1149 HG LEU 146 HG LEU 146 -26.874 19.140 24.724 1150 HD11 LEU 146 HD11 LEU 146 -26.484 17.650 22.203 1151 HD12 LEU 146 HD12 LEU 146 -25.799 19.184 22.735 1152 HD13 LEU 146 HD13 LEU 146 -27.448 19.124 22.114 1153 HD21 LEU 146 HD21 LEU 146 -29.107 18.982 23.314 1154 HD22 LEU 146 HD22 LEU 146 -29.090 18.719 25.058 1155 HD23 LEU 146 HD23 LEU 146 -29.110 17.340 23.958 1156 H THR 147 H THR 147 -25.774 15.317 26.634 1157 HA THR 147 HA THR 147 -25.306 16.882 28.890 1158 HB THR 147 HB THR 147 -25.337 14.836 30.188 1159 HG1 THR 147 HG1 THR 147 -24.546 13.064 29.363 1160 HG21 THR 147 HG21 THR 147 -27.220 14.823 27.832 1161 HG22 THR 147 HG22 THR 147 -27.495 15.518 29.429 1162 HG23 THR 147 HG23 THR 147 -27.406 13.768 29.232 1163 H TYR 148 H TYR 148 -23.109 14.979 26.952 1164 HA TYR 148 HA TYR 148 -20.967 14.614 28.631 1165 HB2 TYR 148 HB2 TYR 148 -21.322 14.058 26.078 1166 HB3 TYR 148 HB3 TYR 148 -20.439 15.562 25.843 1167 HD1 TYR 148 HD2 TYR 148 -20.209 12.293 27.621 1168 HD2 TYR 148 HD1 TYR 148 -18.113 15.545 25.851 1169 HE1 TYR 148 HE2 TYR 148 -18.088 11.089 27.934 1170 HE2 TYR 148 HE1 TYR 148 -15.986 14.349 26.158 1171 HH TYR 148 HH TYR 148 -15.387 11.688 26.384 1172 H LEU 149 H LEU 149 -21.337 17.401 26.431 1173 HA LEU 149 HA LEU 149 -19.237 18.880 27.627 1174 HB2 LEU 149 HB2 LEU 149 -20.656 19.073 25.317 1175 HB3 LEU 149 HB3 LEU 149 -21.336 20.404 26.250 1176 HG LEU 149 HG LEU 149 -19.568 21.227 24.839 1177 HD11 LEU 149 HD11 LEU 149 -18.066 21.293 27.343 1178 HD12 LEU 149 HD12 LEU 149 -19.775 21.688 27.522 1179 HD13 LEU 149 HD13 LEU 149 -18.770 22.609 26.404 1180 HD21 LEU 149 HD21 LEU 149 -17.996 19.732 24.285 1181 HD22 LEU 149 HD22 LEU 149 -18.206 18.812 25.775 1182 HD23 LEU 149 HD23 LEU 149 -17.192 20.256 25.765 1183 H GLU 150 H GLU 150 -22.699 18.723 28.158 1184 HA GLU 150 HA GLU 150 -23.115 21.031 29.631 1185 HB2 GLU 150 HB2 GLU 150 -24.730 19.075 28.876 1186 HB3 GLU 150 HB3 GLU 150 -24.437 18.505 30.513 1187 HG2 GLU 150 HG2 GLU 150 -25.239 21.340 30.096 1188 HG3 GLU 150 HG3 GLU 150 -26.458 20.073 29.971 1189 H LYS 151 H LYS 151 -22.117 17.825 30.803 1190 HA LYS 151 HA LYS 151 -21.742 18.795 33.493 1191 HB2 LYS 151 HB2 LYS 151 -21.619 16.187 32.109 1192 HB3 LYS 151 HB3 LYS 151 -20.537 16.363 33.484 1193 HG2 LYS 151 HG2 LYS 151 -22.892 17.347 34.468 1194 HG3 LYS 151 HG3 LYS 151 -23.434 16.048 33.403 1195 HD2 LYS 151 HD2 LYS 151 -23.092 15.127 35.587 1196 HD3 LYS 151 HD3 LYS 151 -21.803 14.537 34.536 1197 HE2 LYS 151 HE2 LYS 151 -20.331 15.294 36.017 1198 HE3 LYS 151 HE3 LYS 151 -20.856 16.933 35.634 1199 HZ1 LYS 151 HZ1 LYS 151 -22.518 15.459 37.509 1200 HZ2 LYS 151 HZ2 LYS 151 -22.056 17.086 37.518 1201 HZ3 LYS 151 HZ3 LYS 151 -20.983 15.899 38.070 1202 H TYR 152 H TYR 152 -19.802 18.312 30.656 1203 HA TYR 152 HA TYR 152 -17.270 18.333 31.975 1204 HB2 TYR 152 HB2 TYR 152 -17.560 17.345 29.744 1205 HB3 TYR 152 HB3 TYR 152 -17.963 18.929 29.090 1206 HD1 TYR 152 HD1 TYR 152 -15.225 17.285 31.039 1207 HD2 TYR 152 HD2 TYR 152 -16.284 20.102 28.031 1208 HE1 TYR 152 HE1 TYR 152 -12.841 17.701 30.597 1209 HE2 TYR 152 HE2 TYR 152 -13.903 20.525 27.580 1210 HH TYR 152 HH TYR 152 -11.367 19.006 29.525 1211 H ARG 153 H ARG 153 -15.864 19.999 32.330 1212 HA ARG 153 HA ARG 153 -16.926 22.710 31.875 1213 HB2 ARG 153 HB2 ARG 153 -16.851 22.300 34.225 1214 HB3 ARG 153 HB3 ARG 153 -15.237 21.610 34.118 1215 HG2 ARG 153 HG2 ARG 153 -15.603 24.422 33.247 1216 HG3 ARG 153 HG3 ARG 153 -15.655 24.071 34.975 1217 HD2 ARG 153 HD2 ARG 153 -13.468 22.638 34.043 1218 HD3 ARG 153 HD3 ARG 153 -13.393 24.166 33.167 1219 HE ARG 153 HE ARG 153 -13.826 24.905 35.749 1220 HH11 ARG 153 HH11 ARG 153 -11.460 22.917 34.147 1221 HH12 ARG 153 HH12 ARG 153 -10.200 23.276 35.280 1222 HH21 ARG 153 HH21 ARG 153 -12.175 25.386 37.248 1223 HH22 ARG 153 HH22 ARG 153 -10.608 24.680 37.044 1224 HA PRO 154 HA PRO 154 -13.410 23.269 29.236 1225 HB2 PRO 154 HB2 PRO 154 -13.698 25.945 28.879 1226 HB3 PRO 154 HB3 PRO 154 -14.724 24.752 28.073 1227 HG2 PRO 154 HG2 PRO 154 -15.278 26.383 30.522 1228 HG3 PRO 154 HG3 PRO 154 -16.347 26.020 29.154 1229 HD2 PRO 154 HD2 PRO 154 -16.501 24.701 31.514 1230 HD3 PRO 154 HD3 PRO 154 -16.876 23.926 29.961 1231 H LYS 155 H LYS 155 -11.455 23.123 30.156 1232 HA LYS 155 HA LYS 155 -10.721 24.765 32.419 1233 HB2 LYS 155 HB2 LYS 155 -8.666 23.483 32.448 1234 HB3 LYS 155 HB3 LYS 155 -10.033 22.393 32.264 1235 HG2 LYS 155 HG2 LYS 155 -9.167 23.100 29.669 1236 HG3 LYS 155 HG3 LYS 155 -7.737 22.675 30.613 1237 HD2 LYS 155 HD2 LYS 155 -10.203 20.955 30.585 1238 HD3 LYS 155 HD3 LYS 155 -8.927 20.785 29.377 1239 HE2 LYS 155 HE2 LYS 155 -7.310 20.509 31.284 1240 HE3 LYS 155 HE3 LYS 155 -8.704 20.426 32.360 1241 HZ1 LYS 155 HZ1 LYS 155 -8.224 18.594 30.072 1242 HZ2 LYS 155 HZ2 LYS 155 -9.481 18.486 31.199 1243 HZ3 LYS 155 HZ3 LYS 155 -7.882 18.228 31.688 1244 H GLN 156 H GLN 156 -10.960 25.482 29.295 1245 HA GLN 156 HA GLN 156 -10.107 27.114 27.959 1246 HB2 GLN 156 HB2 GLN 156 -8.460 28.020 30.315 1247 HB3 GLN 156 HB3 GLN 156 -9.024 28.982 28.956 1248 HG2 GLN 156 HG2 GLN 156 -10.660 29.635 30.309 1249 HG3 GLN 156 HG3 GLN 156 -11.362 28.044 30.021 1250 HE21 GLN 156 HE21 GLN 156 -8.779 29.421 32.036 1251 HE22 GLN 156 HE22 GLN 156 -9.269 28.637 33.496 1252 H ARG 157 H ARG 157 -9.013 24.948 27.244 1253 HA ARG 157 HA ARG 157 -6.125 24.980 27.589 1254 HB2 ARG 157 HB2 ARG 157 -8.029 22.972 27.126 1255 HB3 ARG 157 HB3 ARG 157 -7.079 23.063 25.649 1256 HG2 ARG 157 HG2 ARG 157 -5.094 22.518 26.750 1257 HG3 ARG 157 HG3 ARG 157 -5.768 22.894 28.337 1258 HD2 ARG 157 HD2 ARG 157 -6.543 20.820 28.586 1259 HD3 ARG 157 HD3 ARG 157 -7.305 20.846 26.996 1260 HE ARG 157 HE ARG 157 -5.517 19.687 26.158 1261 HH11 ARG 157 HH11 ARG 157 -4.679 20.986 29.278 1262 HH12 ARG 157 HH12 ARG 157 -3.177 20.128 29.377 1263 HH21 ARG 157 HH21 ARG 157 -3.541 18.552 26.277 1264 HH22 ARG 157 HH22 ARG 157 -2.531 18.745 27.669 1265 H LEU 158 H LEU 158 -8.402 24.982 24.842 1266 HA LEU 158 HA LEU 158 -6.375 25.730 22.967 1267 HB2 LEU 158 HB2 LEU 158 -9.208 25.050 22.917 1268 HB3 LEU 158 HB3 LEU 158 -8.786 26.324 21.776 1269 HG LEU 158 HG LEU 158 -8.781 23.911 20.933 1270 HD11 LEU 158 HD11 LEU 158 -6.329 24.480 19.919 1271 HD12 LEU 158 HD12 LEU 158 -6.843 26.066 20.491 1272 HD13 LEU 158 HD13 LEU 158 -7.841 25.178 19.340 1273 HD21 LEU 158 HD21 LEU 158 -7.471 23.146 22.992 1274 HD22 LEU 158 HD22 LEU 158 -6.055 23.822 22.187 1275 HD23 LEU 158 HD23 LEU 158 -6.965 22.519 21.423 1276 H ARG 159 H ARG 159 -8.669 27.427 24.958 1277 HA ARG 159 HA ARG 159 -7.381 29.893 24.737 1278 HB2 ARG 159 HB2 ARG 159 -8.971 29.354 22.486 1279 HB3 ARG 159 HB3 ARG 159 -9.899 30.491 23.455 1280 HG2 ARG 159 HG2 ARG 159 -7.159 31.328 23.319 1281 HG3 ARG 159 HG3 ARG 159 -7.798 31.053 21.697 1282 HD2 ARG 159 HD2 ARG 159 -9.847 32.403 22.590 1283 HD3 ARG 159 HD3 ARG 159 -8.694 32.985 23.791 1284 HE ARG 159 HE ARG 159 -7.664 33.223 21.149 1285 HH11 ARG 159 HH11 ARG 159 -9.843 34.691 23.433 1286 HH12 ARG 159 HH12 ARG 159 -9.703 36.275 22.746 1287 HH21 ARG 159 HH21 ARG 159 -7.472 35.304 20.235 1288 HH22 ARG 159 HH22 ARG 159 -8.355 36.622 20.926 1289 H PHE 160 H PHE 160 -9.350 31.711 25.188 1290 HA PHE 160 HA PHE 160 -10.332 30.857 27.778 1291 HB2 PHE 160 HB2 PHE 160 -9.275 33.042 27.617 1292 HB3 PHE 160 HB3 PHE 160 -10.430 33.540 26.385 1293 HD1 PHE 160 HD1 PHE 160 -10.930 31.787 29.631 1294 HD2 PHE 160 HD2 PHE 160 -11.678 35.257 27.283 1295 HE1 PHE 160 HE1 PHE 160 -12.423 32.649 31.387 1296 HE2 PHE 160 HE2 PHE 160 -13.172 36.125 29.035 1297 HZ PHE 160 HZ PHE 160 -13.546 34.821 31.090 1298 H LYS 161 H LYS 161 -12.359 30.287 28.233 1299 HA LYS 161 HA LYS 161 -14.394 30.639 26.135 1300 HB2 LYS 161 HB2 LYS 161 -13.596 28.305 27.171 1301 HB3 LYS 161 HB3 LYS 161 -14.821 28.717 28.364 1302 HG2 LYS 161 HG2 LYS 161 -15.524 28.901 25.480 1303 HG3 LYS 161 HG3 LYS 161 -15.412 27.308 26.233 1304 HD2 LYS 161 HD2 LYS 161 -16.871 29.047 27.963 1305 HD3 LYS 161 HD3 LYS 161 -17.555 29.152 26.339 1306 HE2 LYS 161 HE2 LYS 161 -18.331 27.037 26.392 1307 HE3 LYS 161 HE3 LYS 161 -16.918 26.432 27.255 1308 HZ1 LYS 161 HZ1 LYS 161 -17.809 27.313 29.302 1309 HZ2 LYS 161 HZ2 LYS 161 -18.943 26.284 28.585 1310 HZ3 LYS 161 HZ3 LYS 161 -19.144 27.961 28.489 1311 H ASP 162 H ASP 162 -16.574 31.105 26.794 1312 HA ASP 162 HA ASP 162 -18.085 32.448 27.847 1313 HB2 ASP 162 HB2 ASP 162 -17.572 30.400 29.490 1314 HB3 ASP 162 HB3 ASP 162 -17.016 31.713 30.523 Start of MODEL 18 1 H1 MET 1 H MET 1 -8.821 0.802 1.725 2 HA MET 1 HA MET 1 -9.139 -1.688 2.656 3 HB2 MET 1 HB2 MET 1 -11.719 -0.393 2.630 4 HB3 MET 1 HB3 MET 1 -11.724 -1.792 1.564 5 HG2 MET 1 HG2 MET 1 -11.783 -3.200 3.272 6 HG3 MET 1 HG3 MET 1 -10.438 -2.393 4.074 7 HE1 MET 1 HE1 MET 1 -12.148 -2.047 7.141 8 HE2 MET 1 HE2 MET 1 -12.966 -3.383 6.333 9 HE3 MET 1 HE3 MET 1 -11.237 -3.131 6.089 10 H ALA 2 H ALA 2 -9.789 0.522 0.070 11 HA ALA 2 HA ALA 2 -8.438 -1.072 -1.835 12 HB1 ALA 2 HB1 ALA 2 -11.060 -1.868 -1.492 13 HB2 ALA 2 HB2 ALA 2 -11.121 -0.828 -2.916 14 HB3 ALA 2 HB3 ALA 2 -10.036 -2.218 -2.885 15 H ARG 3 H ARG 3 -9.343 -0.141 -4.201 16 HA ARG 3 HA ARG 3 -9.342 1.653 -5.600 17 HB2 ARG 3 HB2 ARG 3 -10.194 3.356 -3.264 18 HB3 ARG 3 HB3 ARG 3 -10.500 3.630 -4.974 19 HG2 ARG 3 HG2 ARG 3 -12.032 1.775 -5.047 20 HG3 ARG 3 HG3 ARG 3 -11.650 1.353 -3.377 21 HD2 ARG 3 HD2 ARG 3 -12.816 3.140 -2.517 22 HD3 ARG 3 HD3 ARG 3 -12.640 4.097 -3.988 23 HE ARG 3 HE ARG 3 -14.235 1.832 -4.509 24 HH11 ARG 3 HH11 ARG 3 -14.327 4.889 -2.847 25 HH12 ARG 3 HH12 ARG 3 -16.043 5.073 -3.006 26 HH21 ARG 3 HH21 ARG 3 -16.494 2.062 -4.726 27 HH22 ARG 3 HH22 ARG 3 -17.274 3.463 -4.075 28 H MET 4 H MET 4 -7.982 3.348 -6.246 29 HA MET 4 HA MET 4 -6.291 4.820 -4.578 30 HB2 MET 4 HB2 MET 4 -5.155 2.816 -3.983 31 HB3 MET 4 HB3 MET 4 -5.112 2.261 -5.651 32 HG2 MET 4 HG2 MET 4 -3.566 4.064 -6.214 33 HG3 MET 4 HG3 MET 4 -3.609 4.620 -4.542 34 HE1 MET 4 HE1 MET 4 -2.457 1.975 -2.486 35 HE2 MET 4 HE2 MET 4 -1.187 3.166 -2.766 36 HE3 MET 4 HE3 MET 4 -2.876 3.674 -2.709 37 H ASN 5 H ASN 5 -6.505 6.530 -5.910 38 HA ASN 5 HA ASN 5 -4.892 6.792 -8.176 39 HB2 ASN 5 HB2 ASN 5 -7.518 5.644 -8.686 40 HB3 ASN 5 HB3 ASN 5 -7.272 7.144 -9.576 41 HD21 ASN 5 HD21 ASN 5 -7.083 3.967 -9.901 42 HD22 ASN 5 HD22 ASN 5 -5.777 3.828 -11.024 43 H ARG 6 H ARG 6 -4.355 8.755 -7.316 44 HA ARG 6 HA ARG 6 -4.519 10.953 -6.736 45 HB2 ARG 6 HB2 ARG 6 -6.811 11.065 -8.691 46 HB3 ARG 6 HB3 ARG 6 -5.687 12.350 -8.267 47 HG2 ARG 6 HG2 ARG 6 -4.773 11.750 -10.243 48 HG3 ARG 6 HG3 ARG 6 -3.937 10.583 -9.216 49 HD2 ARG 6 HD2 ARG 6 -5.164 8.818 -9.986 50 HD3 ARG 6 HD3 ARG 6 -6.582 9.811 -10.321 51 HE ARG 6 HE ARG 6 -4.411 9.225 -12.113 52 HH11 ARG 6 HH11 ARG 6 -6.981 11.447 -11.353 53 HH12 ARG 6 HH12 ARG 6 -7.110 12.054 -12.970 54 HH21 ARG 6 HH21 ARG 6 -4.572 10.017 -14.246 55 HH22 ARG 6 HH22 ARG 6 -5.740 11.239 -14.615 56 HA PRO 7 HA PRO 7 -8.170 10.118 -3.964 57 HB2 PRO 7 HB2 PRO 7 -6.774 10.344 -1.646 58 HB3 PRO 7 HB3 PRO 7 -6.918 8.824 -2.537 59 HG2 PRO 7 HG2 PRO 7 -4.668 10.799 -2.510 60 HG3 PRO 7 HG3 PRO 7 -4.603 9.028 -2.453 61 HD2 PRO 7 HD2 PRO 7 -4.155 10.429 -4.726 62 HD3 PRO 7 HD3 PRO 7 -4.900 8.817 -4.729 63 H ALA 8 H ALA 8 -9.408 11.863 -3.734 64 HA ALA 8 HA ALA 8 -8.138 14.423 -3.028 65 HB1 ALA 8 HB1 ALA 8 -10.778 14.902 -3.843 66 HB2 ALA 8 HB2 ALA 8 -9.294 15.248 -4.733 67 HB3 ALA 8 HB3 ALA 8 -10.126 13.711 -4.970 68 HA PRO 9 HA PRO 9 -10.321 13.343 0.843 69 HB2 PRO 9 HB2 PRO 9 -8.632 14.758 2.429 70 HB3 PRO 9 HB3 PRO 9 -8.286 13.113 1.883 71 HG2 PRO 9 HG2 PRO 9 -7.288 15.718 0.797 72 HG3 PRO 9 HG3 PRO 9 -6.398 14.211 1.084 73 HD2 PRO 9 HD2 PRO 9 -7.268 14.945 -1.373 74 HD3 PRO 9 HD3 PRO 9 -7.154 13.247 -0.869 75 H VAL 10 H VAL 10 -10.462 15.192 2.824 76 HA VAL 10 HA VAL 10 -11.569 17.600 1.538 77 HB VAL 10 HB VAL 10 -12.832 15.829 3.605 78 HG11 VAL 10 HG11 VAL 10 -12.910 17.953 4.671 79 HG12 VAL 10 HG12 VAL 10 -13.355 18.762 3.167 80 HG13 VAL 10 HG13 VAL 10 -14.498 17.676 3.957 81 HG21 VAL 10 HG21 VAL 10 -14.118 17.234 1.283 82 HG22 VAL 10 HG22 VAL 10 -13.284 15.692 1.093 83 HG23 VAL 10 HG23 VAL 10 -14.682 15.812 2.161 84 H GLU 11 H GLU 11 -10.429 19.299 2.182 85 HA GLU 11 HA GLU 11 -9.142 19.270 4.807 86 HB2 GLU 11 HB2 GLU 11 -7.591 19.908 3.183 87 HB3 GLU 11 HB3 GLU 11 -8.763 20.883 2.308 88 HG2 GLU 11 HG2 GLU 11 -8.725 22.554 4.060 89 HG3 GLU 11 HG3 GLU 11 -7.612 21.565 5.003 90 H VAL 12 H VAL 12 -10.067 20.236 6.477 91 HA VAL 12 HA VAL 12 -12.089 22.314 5.969 92 HB VAL 12 HB VAL 12 -13.112 20.551 7.158 93 HG11 VAL 12 HG11 VAL 12 -11.103 19.352 7.828 94 HG12 VAL 12 HG12 VAL 12 -10.752 20.589 9.037 95 HG13 VAL 12 HG13 VAL 12 -12.183 19.572 9.205 96 HG21 VAL 12 HG21 VAL 12 -13.461 22.882 8.042 97 HG22 VAL 12 HG22 VAL 12 -13.818 21.582 9.179 98 HG23 VAL 12 HG23 VAL 12 -12.311 22.487 9.321 99 H SER 13 H SER 13 -11.165 24.264 6.090 100 HA SER 13 HA SER 13 -9.057 24.771 8.039 101 HB2 SER 13 HB2 SER 13 -8.315 26.296 6.567 102 HB3 SER 13 HB3 SER 13 -9.547 25.703 5.454 103 HG SER 13 HG SER 13 -10.834 27.361 5.959 104 H TYR 14 H TYR 14 -9.490 25.559 9.980 105 HA TYR 14 HA TYR 14 -12.098 26.791 10.473 106 HB2 TYR 14 HB2 TYR 14 -10.668 24.921 11.898 107 HB3 TYR 14 HB3 TYR 14 -10.330 26.407 12.780 108 HD1 TYR 14 HD2 TYR 14 -13.363 24.988 11.105 109 HD2 TYR 14 HD1 TYR 14 -11.656 26.610 14.649 110 HE1 TYR 14 HE2 TYR 14 -15.543 24.809 12.229 111 HE2 TYR 14 HE1 TYR 14 -13.831 26.435 15.783 112 HH TYR 14 HH TYR 14 -16.121 24.641 15.103 113 H LYS 15 H LYS 15 -11.451 28.247 12.766 114 HA LYS 15 HA LYS 15 -10.852 30.748 11.776 115 HB2 LYS 15 HB2 LYS 15 -10.402 31.399 14.134 116 HB3 LYS 15 HB3 LYS 15 -11.891 30.485 13.935 117 HG2 LYS 15 HG2 LYS 15 -10.413 28.439 14.537 118 HG3 LYS 15 HG3 LYS 15 -9.318 29.655 15.198 119 HD2 LYS 15 HD2 LYS 15 -10.735 28.914 16.972 120 HD3 LYS 15 HD3 LYS 15 -11.245 30.544 16.527 121 HE2 LYS 15 HE2 LYS 15 -12.693 28.717 14.917 122 HE3 LYS 15 HE3 LYS 15 -12.775 28.141 16.581 123 HZ1 LYS 15 HZ1 LYS 15 -14.379 29.631 16.859 124 HZ2 LYS 15 HZ2 LYS 15 -14.059 30.389 15.381 125 HZ3 LYS 15 HZ3 LYS 15 -13.195 30.835 16.765 126 H HIS 16 H HIS 16 -8.640 28.521 13.458 127 HA HIS 16 HA HIS 16 -6.408 29.719 12.003 128 HB2 HIS 16 HB2 HIS 16 -6.897 30.498 14.585 129 HB3 HIS 16 HB3 HIS 16 -5.768 29.167 14.817 130 HD1 HIS 16 HD1 HIS 16 -3.741 30.524 15.459 131 HD2 HIS 16 HD2 HIS 16 -5.436 31.751 11.870 132 HE1 HIS 16 HE1 HIS 16 -2.106 32.158 14.467 133 H MET 17 H MET 17 -7.838 27.179 11.851 134 HA MET 17 HA MET 17 -5.524 25.419 12.191 135 HB2 MET 17 HB2 MET 17 -8.242 24.358 12.868 136 HB3 MET 17 HB3 MET 17 -6.662 23.754 13.348 137 HG2 MET 17 HG2 MET 17 -7.687 26.392 14.324 138 HG3 MET 17 HG3 MET 17 -8.121 24.880 15.118 139 HE1 MET 17 HE1 MET 17 -5.146 27.563 16.205 140 HE2 MET 17 HE2 MET 17 -6.897 27.457 16.017 141 HE3 MET 17 HE3 MET 17 -6.112 26.710 17.409 142 H ARG 18 H ARG 18 -6.066 23.206 11.105 143 HA ARG 18 HA ARG 18 -7.934 23.264 8.938 144 HB2 ARG 18 HB2 ARG 18 -5.962 24.723 8.186 145 HB3 ARG 18 HB3 ARG 18 -5.035 23.230 8.126 146 HG2 ARG 18 HG2 ARG 18 -6.293 22.372 6.369 147 HG3 ARG 18 HG3 ARG 18 -7.630 23.488 6.659 148 HD2 ARG 18 HD2 ARG 18 -5.338 25.054 6.154 149 HD3 ARG 18 HD3 ARG 18 -5.373 23.786 4.930 150 HE ARG 18 HE ARG 18 -7.907 24.697 4.907 151 HH11 ARG 18 HH11 ARG 18 -4.820 26.297 4.730 152 HH12 ARG 18 HH12 ARG 18 -5.409 27.609 3.762 153 HH21 ARG 18 HH21 ARG 18 -8.694 26.418 3.634 154 HH22 ARG 18 HH22 ARG 18 -7.613 27.677 3.140 155 H PHE 19 H PHE 19 -8.663 21.251 9.136 156 HA PHE 19 HA PHE 19 -6.735 19.081 9.597 157 HB2 PHE 19 HB2 PHE 19 -9.709 19.260 10.089 158 HB3 PHE 19 HB3 PHE 19 -8.802 17.756 10.215 159 HD1 PHE 19 HD1 PHE 19 -7.804 21.170 11.279 160 HD2 PHE 19 HD2 PHE 19 -8.895 17.234 12.476 161 HE1 PHE 19 HE1 PHE 19 -7.224 21.720 13.606 162 HE2 PHE 19 HE2 PHE 19 -8.318 17.778 14.805 163 HZ PHE 19 HZ PHE 19 -7.482 20.024 15.372 164 H LEU 20 H LEU 20 -7.674 16.904 8.648 165 HA LEU 20 HA LEU 20 -8.723 17.330 5.949 166 HB2 LEU 20 HB2 LEU 20 -6.013 16.664 6.580 167 HB3 LEU 20 HB3 LEU 20 -6.767 15.310 5.741 168 HG LEU 20 HG LEU 20 -5.701 16.624 4.090 169 HD11 LEU 20 HD11 LEU 20 -8.163 17.857 3.389 170 HD12 LEU 20 HD12 LEU 20 -8.512 16.303 4.147 171 HD13 LEU 20 HD13 LEU 20 -7.443 16.380 2.746 172 HD21 LEU 20 HD21 LEU 20 -5.809 18.956 3.890 173 HD22 LEU 20 HD22 LEU 20 -5.595 18.667 5.617 174 HD23 LEU 20 HD23 LEU 20 -7.189 19.074 4.981 175 H ILE 21 H ILE 21 -10.560 16.201 6.043 176 HA ILE 21 HA ILE 21 -10.653 13.667 7.483 177 HB ILE 21 HB ILE 21 -13.138 13.882 6.500 178 HG12 ILE 21 HG12 ILE 21 -12.245 16.099 5.401 179 HG13 ILE 21 HG13 ILE 21 -13.860 16.042 6.099 180 HG21 ILE 21 HG21 ILE 21 -13.715 15.059 8.634 181 HG22 ILE 21 HG22 ILE 21 -12.683 13.643 8.826 182 HG23 ILE 21 HG23 ILE 21 -11.986 15.260 8.916 183 HD11 ILE 21 HD11 ILE 21 -11.560 16.923 7.776 184 HD12 ILE 21 HD12 ILE 21 -12.286 18.036 6.615 185 HD13 ILE 21 HD13 ILE 21 -13.269 17.337 7.901 186 H THR 22 H THR 22 -10.316 11.802 6.492 187 HA THR 22 HA THR 22 -10.923 11.599 3.614 188 HB THR 22 HB THR 22 -9.013 10.285 3.209 189 HG1 THR 22 HG1 THR 22 -8.868 8.898 4.892 190 HG21 THR 22 HG21 THR 22 -8.705 12.821 3.892 191 HG22 THR 22 HG22 THR 22 -7.317 11.794 3.532 192 HG23 THR 22 HG23 THR 22 -7.770 12.110 5.207 193 H HIS 23 H HIS 23 -10.540 8.946 3.210 194 HA HIS 23 HA HIS 23 -12.081 7.486 5.209 195 HB2 HIS 23 HB2 HIS 23 -13.781 6.764 3.693 196 HB3 HIS 23 HB3 HIS 23 -13.699 8.519 3.572 197 HD1 HIS 23 HD1 HIS 23 -11.847 9.215 1.501 198 HD2 HIS 23 HD2 HIS 23 -13.996 5.668 1.246 199 HE1 HIS 23 HE1 HIS 23 -11.815 8.583 -0.933 200 H ASN 24 H ASN 24 -12.580 5.188 3.786 201 HA ASN 24 HA ASN 24 -11.631 3.239 3.094 202 HB2 ASN 24 HB2 ASN 24 -10.197 5.313 1.617 203 HB3 ASN 24 HB3 ASN 24 -9.232 3.860 1.862 204 HD21 ASN 24 HD21 ASN 24 -10.503 5.048 -0.545 205 HD22 ASN 24 HD22 ASN 24 -11.454 3.775 -1.224 206 HA PRO 25 HA PRO 25 -8.850 3.336 6.774 207 HB2 PRO 25 HB2 PRO 25 -9.999 1.186 7.967 208 HB3 PRO 25 HB3 PRO 25 -10.616 2.832 8.153 209 HG2 PRO 25 HG2 PRO 25 -11.572 0.644 6.347 210 HG3 PRO 25 HG3 PRO 25 -12.518 1.777 7.330 211 HD2 PRO 25 HD2 PRO 25 -12.147 2.115 4.669 212 HD3 PRO 25 HD3 PRO 25 -12.311 3.481 5.791 213 H THR 26 H THR 26 -8.063 0.991 7.849 214 HA THR 26 HA THR 26 -6.715 -0.827 7.579 215 HB THR 26 HB THR 26 -7.422 -1.270 4.734 216 HG1 THR 26 HG1 THR 26 -9.470 -0.864 5.209 217 HG21 THR 26 HG21 THR 26 -6.588 -3.248 5.345 218 HG22 THR 26 HG22 THR 26 -8.031 -3.486 6.330 219 HG23 THR 26 HG23 THR 26 -6.583 -2.779 7.044 220 H ASN 27 H ASN 27 -4.855 -1.661 6.204 221 HA ASN 27 HA ASN 27 -3.387 0.656 5.189 222 HB2 ASN 27 HB2 ASN 27 -1.383 -0.711 5.472 223 HB3 ASN 27 HB3 ASN 27 -2.331 -0.705 6.957 224 HD21 ASN 27 HD21 ASN 27 -0.405 -2.615 5.460 225 HD22 ASN 27 HD22 ASN 27 -1.189 -4.146 5.619 226 H ALA 28 H ALA 28 -5.477 -0.861 3.674 227 HA ALA 28 HA ALA 28 -4.182 -2.374 1.644 228 HB1 ALA 28 HB1 ALA 28 -6.258 -2.836 0.960 229 HB2 ALA 28 HB2 ALA 28 -6.786 -1.979 2.409 230 HB3 ALA 28 HB3 ALA 28 -6.702 -1.132 0.864 231 H THR 29 H THR 29 -4.568 0.987 2.203 232 HA THR 29 HA THR 29 -3.278 1.556 -0.363 233 HB THR 29 HB THR 29 -5.595 2.015 -0.839 234 HG1 THR 29 HG1 THR 29 -5.139 3.910 -1.704 235 HG21 THR 29 HG21 THR 29 -6.240 2.277 1.595 236 HG22 THR 29 HG22 THR 29 -6.995 3.412 0.475 237 HG23 THR 29 HG23 THR 29 -5.646 3.934 1.483 238 H LEU 30 H LEU 30 -1.953 1.445 2.014 239 HA LEU 30 HA LEU 30 -1.800 4.075 3.199 240 HB2 LEU 30 HB2 LEU 30 -1.382 1.706 4.262 241 HB3 LEU 30 HB3 LEU 30 0.255 1.967 3.663 242 HG LEU 30 HG LEU 30 0.162 4.180 4.969 243 HD11 LEU 30 HD11 LEU 30 -1.355 4.307 6.801 244 HD12 LEU 30 HD12 LEU 30 -2.000 2.703 6.455 245 HD13 LEU 30 HD13 LEU 30 -2.308 4.034 5.341 246 HD21 LEU 30 HD21 LEU 30 1.341 3.163 6.603 247 HD22 LEU 30 HD22 LEU 30 1.189 1.763 5.541 248 HD23 LEU 30 HD23 LEU 30 0.090 1.958 6.907 249 H SER 31 H SER 31 -0.775 2.927 0.345 250 HA SER 31 HA SER 31 1.915 3.968 0.330 251 HB2 SER 31 HB2 SER 31 0.409 2.221 -1.304 252 HB3 SER 31 HB3 SER 31 0.847 3.597 -2.316 253 HG SER 31 HG SER 31 2.578 1.906 -0.841 254 H THR 32 H THR 32 -1.182 4.888 -1.157 255 HA THR 32 HA THR 32 -0.077 7.428 -2.031 256 HB THR 32 HB THR 32 -2.929 6.453 -2.262 257 HG1 THR 32 HG1 THR 32 -0.985 5.290 -3.357 258 HG21 THR 32 HG21 THR 32 -2.632 8.879 -2.532 259 HG22 THR 32 HG22 THR 32 -3.096 8.108 -4.048 260 HG23 THR 32 HG23 THR 32 -1.421 8.586 -3.778 261 H PHE 33 H PHE 33 -2.034 6.159 0.539 262 HA PHE 33 HA PHE 33 -3.439 8.374 1.391 263 HB2 PHE 33 HB2 PHE 33 -4.026 6.899 2.964 264 HB3 PHE 33 HB3 PHE 33 -2.707 5.841 2.474 265 HD1 PHE 33 HD1 PHE 33 -3.649 8.595 4.738 266 HD2 PHE 33 HD2 PHE 33 -0.759 5.617 3.790 267 HE1 PHE 33 HE1 PHE 33 -2.535 8.994 6.895 268 HE2 PHE 33 HE2 PHE 33 0.358 6.010 5.947 269 HZ PHE 33 HZ PHE 33 -0.530 7.700 7.503 270 H ILE 34 H ILE 34 -0.079 7.501 2.089 271 HA ILE 34 HA ILE 34 0.476 9.588 3.884 272 HB ILE 34 HB ILE 34 2.464 8.346 1.986 273 HG12 ILE 34 HG12 ILE 34 1.731 7.335 4.736 274 HG13 ILE 34 HG13 ILE 34 1.039 6.675 3.259 275 HG21 ILE 34 HG21 ILE 34 3.967 9.555 3.080 276 HG22 ILE 34 HG22 ILE 34 2.679 10.290 4.033 277 HG23 ILE 34 HG23 ILE 34 3.468 8.820 4.603 278 HD11 ILE 34 HD11 ILE 34 4.000 6.798 3.668 279 HD12 ILE 34 HD12 ILE 34 3.030 5.470 4.304 280 HD13 ILE 34 HD13 ILE 34 3.071 5.779 2.569 281 H GLU 35 H GLU 35 0.830 9.384 0.361 282 HA GLU 35 HA GLU 35 2.014 11.925 0.020 283 HB2 GLU 35 HB2 GLU 35 0.288 10.558 -2.034 284 HB3 GLU 35 HB3 GLU 35 1.655 11.630 -2.301 285 HG2 GLU 35 HG2 GLU 35 2.650 9.484 -0.806 286 HG3 GLU 35 HG3 GLU 35 1.601 8.778 -2.034 287 H ASP 36 H ASP 36 -1.294 10.860 0.327 288 HA ASP 36 HA ASP 36 -2.576 13.152 -0.691 289 HB2 ASP 36 HB2 ASP 36 -3.468 10.757 0.107 290 HB3 ASP 36 HB3 ASP 36 -3.843 11.679 1.560 291 H LEU 37 H LEU 37 -1.851 12.232 2.677 292 HA LEU 37 HA LEU 37 -2.679 14.753 3.729 293 HB2 LEU 37 HB2 LEU 37 -1.878 13.952 5.836 294 HB3 LEU 37 HB3 LEU 37 -2.715 12.639 5.011 295 HG LEU 37 HG LEU 37 -0.292 11.966 4.269 296 HD11 LEU 37 HD11 LEU 37 0.288 14.190 5.839 297 HD12 LEU 37 HD12 LEU 37 1.425 12.981 5.242 298 HD13 LEU 37 HD13 LEU 37 0.706 12.801 6.842 299 HD21 LEU 37 HD21 LEU 37 -2.036 10.944 5.988 300 HD22 LEU 37 HD22 LEU 37 -0.793 11.424 7.144 301 HD23 LEU 37 HD23 LEU 37 -0.396 10.314 5.831 302 H LYS 38 H LYS 38 0.233 13.546 2.357 303 HA LYS 38 HA LYS 38 1.959 15.508 3.577 304 HB2 LYS 38 HB2 LYS 38 2.281 13.323 1.571 305 HB3 LYS 38 HB3 LYS 38 3.482 14.608 1.598 306 HG2 LYS 38 HG2 LYS 38 3.397 14.028 4.212 307 HG3 LYS 38 HG3 LYS 38 2.960 12.454 3.543 308 HD2 LYS 38 HD2 LYS 38 5.310 13.967 2.465 309 HD3 LYS 38 HD3 LYS 38 5.460 13.010 3.941 310 HE2 LYS 38 HE2 LYS 38 5.728 11.186 2.706 311 HE3 LYS 38 HE3 LYS 38 4.108 11.412 2.046 312 HZ1 LYS 38 HZ1 LYS 38 5.491 11.369 0.195 313 HZ2 LYS 38 HZ2 LYS 38 6.689 12.311 0.927 314 HZ3 LYS 38 HZ3 LYS 38 5.232 13.022 0.445 315 H LYS 39 H LYS 39 0.335 15.060 0.478 316 HA LYS 39 HA LYS 39 1.524 17.320 -0.784 317 HB2 LYS 39 HB2 LYS 39 -0.059 16.959 -2.554 318 HB3 LYS 39 HB3 LYS 39 0.508 15.389 -1.999 319 HG2 LYS 39 HG2 LYS 39 -1.526 15.028 -0.773 320 HG3 LYS 39 HG3 LYS 39 -2.084 16.660 -1.146 321 HD2 LYS 39 HD2 LYS 39 -1.407 14.747 -3.348 322 HD3 LYS 39 HD3 LYS 39 -2.975 14.662 -2.541 323 HE2 LYS 39 HE2 LYS 39 -2.768 17.327 -3.041 324 HE3 LYS 39 HE3 LYS 39 -1.919 16.649 -4.429 325 HZ1 LYS 39 HZ1 LYS 39 -4.087 16.708 -5.151 326 HZ2 LYS 39 HZ2 LYS 39 -4.733 16.318 -3.637 327 HZ3 LYS 39 HZ3 LYS 39 -3.981 15.123 -4.568 328 H TYR 40 H TYR 40 -1.402 16.794 1.089 329 HA TYR 40 HA TYR 40 -2.536 19.358 0.550 330 HB2 TYR 40 HB2 TYR 40 -3.158 17.057 2.310 331 HB3 TYR 40 HB3 TYR 40 -3.760 18.624 2.841 332 HD1 TYR 40 HD2 TYR 40 -3.734 16.330 -0.091 333 HD2 TYR 40 HD1 TYR 40 -5.738 19.481 1.947 334 HE1 TYR 40 HE2 TYR 40 -5.632 16.116 -1.640 335 HE2 TYR 40 HE1 TYR 40 -7.643 19.276 0.404 336 HH TYR 40 HH TYR 40 -7.523 17.150 -2.390 337 H GLY 41 H GLY 41 0.118 18.443 2.327 338 HA2 GLY 41 HA2 GLY 41 1.523 19.765 3.611 339 HA3 GLY 41 HA3 GLY 41 0.318 21.043 3.553 340 H ALA 42 H ALA 42 -0.404 17.793 4.630 341 HA ALA 42 HA ALA 42 -1.016 18.877 7.285 342 HB1 ALA 42 HB1 ALA 42 -2.874 17.786 6.236 343 HB2 ALA 42 HB2 ALA 42 -1.909 16.343 5.919 344 HB3 ALA 42 HB3 ALA 42 -2.323 16.781 7.577 345 H THR 43 H THR 43 0.330 18.508 8.909 346 HA THR 43 HA THR 43 2.379 16.445 8.636 347 HB THR 43 HB THR 43 3.546 17.518 10.433 348 HG1 THR 43 HG1 THR 43 1.805 18.038 11.789 349 HG21 THR 43 HG21 THR 43 2.796 18.877 8.061 350 HG22 THR 43 HG22 THR 43 4.267 19.074 9.014 351 HG23 THR 43 HG23 THR 43 2.852 20.067 9.361 352 H THR 44 H THR 44 -0.400 15.735 9.202 353 HA THR 44 HA THR 44 0.086 14.210 11.654 354 HB THR 44 HB THR 44 -2.668 14.809 11.690 355 HG1 THR 44 HG1 THR 44 -1.026 17.045 11.127 356 HG21 THR 44 HG21 THR 44 -2.243 15.529 13.875 357 HG22 THR 44 HG22 THR 44 -0.633 16.122 13.465 358 HG23 THR 44 HG23 THR 44 -0.939 14.387 13.553 359 H VAL 45 H VAL 45 -0.820 12.182 11.682 360 HA VAL 45 HA VAL 45 -1.762 11.191 9.120 361 HB VAL 45 HB VAL 45 -1.430 9.517 11.593 362 HG11 VAL 45 HG11 VAL 45 -1.816 9.068 8.732 363 HG12 VAL 45 HG12 VAL 45 -0.504 8.116 9.431 364 HG13 VAL 45 HG13 VAL 45 -2.132 8.002 10.101 365 HG21 VAL 45 HG21 VAL 45 0.601 10.872 11.353 366 HG22 VAL 45 HG22 VAL 45 0.908 9.169 11.013 367 HG23 VAL 45 HG23 VAL 45 0.766 10.321 9.686 368 H VAL 46 H VAL 46 -3.746 10.276 8.727 369 HA VAL 46 HA VAL 46 -5.919 11.178 10.355 370 HB VAL 46 HB VAL 46 -7.364 10.359 8.697 371 HG11 VAL 46 HG11 VAL 46 -4.752 11.249 7.516 372 HG12 VAL 46 HG12 VAL 46 -6.174 10.950 6.514 373 HG13 VAL 46 HG13 VAL 46 -6.224 12.185 7.773 374 HG21 VAL 46 HG21 VAL 46 -7.051 8.195 8.182 375 HG22 VAL 46 HG22 VAL 46 -6.060 8.825 6.867 376 HG23 VAL 46 HG23 VAL 46 -5.301 8.300 8.370 377 H ARG 47 H ARG 47 -4.188 9.439 11.784 378 HA ARG 47 HA ARG 47 -5.199 6.799 11.926 379 HB2 ARG 47 HB2 ARG 47 -3.378 8.489 13.541 380 HB3 ARG 47 HB3 ARG 47 -4.131 7.137 14.376 381 HG2 ARG 47 HG2 ARG 47 -3.307 5.774 12.308 382 HG3 ARG 47 HG3 ARG 47 -2.188 7.126 12.119 383 HD2 ARG 47 HD2 ARG 47 -0.877 6.082 13.588 384 HD3 ARG 47 HD3 ARG 47 -2.058 6.539 14.816 385 HE ARG 47 HE ARG 47 -2.644 4.077 13.426 386 HH11 ARG 47 HH11 ARG 47 -1.073 5.566 16.152 387 HH12 ARG 47 HH12 ARG 47 -1.075 4.121 17.108 388 HH21 ARG 47 HH21 ARG 47 -2.652 2.168 14.675 389 HH22 ARG 47 HH22 ARG 47 -1.973 2.189 16.267 390 H VAL 48 H VAL 48 -6.794 9.550 12.540 391 HA VAL 48 HA VAL 48 -8.021 9.045 15.053 392 HB VAL 48 HB VAL 48 -9.168 10.670 12.783 393 HG11 VAL 48 HG11 VAL 48 -10.826 11.086 14.199 394 HG12 VAL 48 HG12 VAL 48 -10.061 10.073 15.425 395 HG13 VAL 48 HG13 VAL 48 -9.669 11.790 15.328 396 HG21 VAL 48 HG21 VAL 48 -8.018 12.484 14.440 397 HG22 VAL 48 HG22 VAL 48 -6.857 11.159 14.531 398 HG23 VAL 48 HG23 VAL 48 -7.270 11.864 12.968 399 H CYS 49 H CYS 49 -8.471 6.734 14.700 400 HA CYS 49 HA CYS 49 -11.177 6.233 14.294 401 HB2 CYS 49 HB2 CYS 49 -11.228 5.039 12.187 402 HB3 CYS 49 HB3 CYS 49 -10.631 6.671 11.911 403 HG CYS 49 HG CYS 49 -8.116 6.042 11.293 404 H GLU 50 H GLU 50 -11.089 3.586 13.338 405 HA GLU 50 HA GLU 50 -10.125 2.256 15.677 406 HB2 GLU 50 HB2 GLU 50 -10.975 0.212 14.599 407 HB3 GLU 50 HB3 GLU 50 -12.165 1.505 14.587 408 HG2 GLU 50 HG2 GLU 50 -11.112 1.972 12.212 409 HG3 GLU 50 HG3 GLU 50 -10.681 0.268 12.338 410 H VAL 51 H VAL 51 -7.890 3.305 14.918 411 HA VAL 51 HA VAL 51 -6.375 1.924 12.968 412 HB VAL 51 HB VAL 51 -4.389 2.912 14.163 413 HG11 VAL 51 HG11 VAL 51 -5.237 4.151 12.359 414 HG12 VAL 51 HG12 VAL 51 -6.688 4.616 13.249 415 HG13 VAL 51 HG13 VAL 51 -5.125 5.307 13.685 416 HG21 VAL 51 HG21 VAL 51 -6.399 4.393 15.830 417 HG22 VAL 51 HG22 VAL 51 -5.638 2.907 16.399 418 HG23 VAL 51 HG23 VAL 51 -4.648 4.317 16.020 419 H THR 52 H THR 52 -4.909 0.261 13.139 420 HA THR 52 HA THR 52 -4.442 -1.007 15.710 421 HB THR 52 HB THR 52 -5.214 -3.202 15.046 422 HG1 THR 52 HG1 THR 52 -6.586 -3.132 12.990 423 HG21 THR 52 HG21 THR 52 -7.358 -1.133 14.545 424 HG22 THR 52 HG22 THR 52 -6.843 -1.719 16.127 425 HG23 THR 52 HG23 THR 52 -7.627 -2.817 14.992 426 H TYR 53 H TYR 53 -2.880 0.336 13.586 427 HA TYR 53 HA TYR 53 -0.946 -1.827 13.133 428 HB2 TYR 53 HB2 TYR 53 -1.014 -1.623 10.906 429 HB3 TYR 53 HB3 TYR 53 -2.441 -0.612 11.104 430 HD1 TYR 53 HD2 TYR 53 -1.913 1.929 11.636 431 HD2 TYR 53 HD1 TYR 53 0.791 -0.761 9.751 432 HE1 TYR 53 HE2 TYR 53 -0.700 3.836 10.668 433 HE2 TYR 53 HE1 TYR 53 2.013 1.139 8.779 434 HH TYR 53 HH TYR 53 0.796 4.238 8.656 435 H ASP 54 H ASP 54 1.217 -1.230 13.205 436 HA ASP 54 HA ASP 54 1.779 1.126 14.751 437 HB2 ASP 54 HB2 ASP 54 3.256 -1.283 13.885 438 HB3 ASP 54 HB3 ASP 54 4.233 0.165 14.110 439 H LYS 55 H LYS 55 2.613 3.021 14.096 440 HA LYS 55 HA LYS 55 2.550 3.713 11.350 441 HB2 LYS 55 HB2 LYS 55 3.628 5.862 12.185 442 HB3 LYS 55 HB3 LYS 55 2.067 5.446 12.878 443 HG2 LYS 55 HG2 LYS 55 4.104 4.291 14.492 444 HG3 LYS 55 HG3 LYS 55 4.495 5.989 14.213 445 HD2 LYS 55 HD2 LYS 55 2.196 6.586 14.927 446 HD3 LYS 55 HD3 LYS 55 1.907 4.886 15.307 447 HE2 LYS 55 HE2 LYS 55 4.340 5.703 16.547 448 HE3 LYS 55 HE3 LYS 55 3.089 6.883 16.933 449 HZ1 LYS 55 HZ1 LYS 55 2.630 5.407 18.549 450 HZ2 LYS 55 HZ2 LYS 55 3.320 4.099 17.728 451 HZ3 LYS 55 HZ3 LYS 55 1.760 4.619 17.331 452 H THR 56 H THR 56 3.972 2.694 10.043 453 HA THR 56 HA THR 56 6.789 2.555 10.825 454 HB THR 56 HB THR 56 6.813 0.612 9.742 455 HG1 THR 56 HG1 THR 56 6.990 0.710 7.608 456 HG21 THR 56 HG21 THR 56 3.975 1.246 8.923 457 HG22 THR 56 HG22 THR 56 4.472 0.417 10.398 458 HG23 THR 56 HG23 THR 56 4.737 -0.341 8.828 459 HA PRO 57 HA PRO 57 7.035 4.810 6.558 460 HB2 PRO 57 HB2 PRO 57 4.698 5.623 5.441 461 HB3 PRO 57 HB3 PRO 57 5.409 4.035 5.132 462 HG2 PRO 57 HG2 PRO 57 3.210 4.792 7.017 463 HG3 PRO 57 HG3 PRO 57 3.320 3.396 5.929 464 HD2 PRO 57 HD2 PRO 57 3.843 3.222 8.580 465 HD3 PRO 57 HD3 PRO 57 4.673 2.217 7.374 466 H LEU 58 H LEU 58 3.923 6.192 7.568 467 HA LEU 58 HA LEU 58 4.625 8.837 7.477 468 HB2 LEU 58 HB2 LEU 58 2.740 9.307 8.835 469 HB3 LEU 58 HB3 LEU 58 2.342 7.899 7.852 470 HG LEU 58 HG LEU 58 1.454 7.559 10.041 471 HD11 LEU 58 HD11 LEU 58 2.288 5.448 10.482 472 HD12 LEU 58 HD12 LEU 58 3.945 5.906 10.093 473 HD13 LEU 58 HD13 LEU 58 2.762 5.699 8.802 474 HD21 LEU 58 HD21 LEU 58 3.453 9.140 10.946 475 HD22 LEU 58 HD22 LEU 58 4.037 7.554 11.449 476 HD23 LEU 58 HD23 LEU 58 2.452 8.119 11.978 477 H GLU 59 H GLU 59 5.680 6.491 9.725 478 HA GLU 59 HA GLU 59 6.229 8.145 11.948 479 HB2 GLU 59 HB2 GLU 59 6.484 6.043 12.702 480 HB3 GLU 59 HB3 GLU 59 6.847 5.420 11.099 481 HG2 GLU 59 HG2 GLU 59 9.134 5.912 11.309 482 HG3 GLU 59 HG3 GLU 59 8.865 6.937 12.717 483 H LYS 60 H LYS 60 8.279 7.048 9.257 484 HA LYS 60 HA LYS 60 10.546 8.566 10.101 485 HB2 LYS 60 HB2 LYS 60 10.139 7.624 7.282 486 HB3 LYS 60 HB3 LYS 60 11.632 7.740 8.204 487 HG2 LYS 60 HG2 LYS 60 11.462 5.579 8.638 488 HG3 LYS 60 HG3 LYS 60 10.025 5.927 9.602 489 HD2 LYS 60 HD2 LYS 60 8.578 5.448 7.826 490 HD3 LYS 60 HD3 LYS 60 9.862 5.589 6.624 491 HE2 LYS 60 HE2 LYS 60 10.302 3.527 8.667 492 HE3 LYS 60 HE3 LYS 60 8.915 3.242 7.618 493 HZ1 LYS 60 HZ1 LYS 60 10.440 3.609 5.706 494 HZ2 LYS 60 HZ2 LYS 60 10.803 2.235 6.622 495 HZ3 LYS 60 HZ3 LYS 60 11.736 3.635 6.792 496 H ASP 61 H ASP 61 7.736 9.230 8.210 497 HA ASP 61 HA ASP 61 8.782 11.463 6.773 498 HB2 ASP 61 HB2 ASP 61 6.226 10.091 7.033 499 HB3 ASP 61 HB3 ASP 61 6.033 11.840 6.945 500 H GLY 62 H GLY 62 8.237 11.045 9.997 501 HA2 GLY 62 HA2 GLY 62 8.227 12.519 11.761 502 HA3 GLY 62 HA3 GLY 62 8.580 13.793 10.603 503 H ILE 63 H ILE 63 5.761 11.839 10.148 504 HA ILE 63 HA ILE 63 4.085 14.179 10.530 505 HB ILE 63 HB ILE 63 3.451 11.410 9.510 506 HG12 ILE 63 HG12 ILE 63 3.243 13.956 7.942 507 HG13 ILE 63 HG13 ILE 63 4.817 13.201 8.164 508 HG21 ILE 63 HG21 ILE 63 1.547 12.470 10.718 509 HG22 ILE 63 HG22 ILE 63 1.621 13.802 9.565 510 HG23 ILE 63 HG23 ILE 63 1.238 12.173 9.008 511 HD11 ILE 63 HD11 ILE 63 2.427 11.792 7.009 512 HD12 ILE 63 HD12 ILE 63 3.671 12.595 6.050 513 HD13 ILE 63 HD13 ILE 63 4.092 11.215 7.063 514 H THR 64 H THR 64 2.807 14.545 12.229 515 HA THR 64 HA THR 64 3.019 13.067 14.599 516 HB THR 64 HB THR 64 1.041 15.155 13.705 517 HG1 THR 64 HG1 THR 64 2.859 15.328 15.860 518 HG21 THR 64 HG21 THR 64 0.285 15.240 16.076 519 HG22 THR 64 HG22 THR 64 1.175 13.747 16.372 520 HG23 THR 64 HG23 THR 64 -0.180 13.757 15.243 521 H VAL 65 H VAL 65 2.103 11.231 15.226 522 HA VAL 65 HA VAL 65 0.109 9.955 13.586 523 HB VAL 65 HB VAL 65 1.724 8.479 14.464 524 HG11 VAL 65 HG11 VAL 65 1.526 8.459 17.227 525 HG12 VAL 65 HG12 VAL 65 2.849 9.134 16.273 526 HG13 VAL 65 HG13 VAL 65 1.527 10.172 16.809 527 HG21 VAL 65 HG21 VAL 65 -0.169 7.676 16.502 528 HG22 VAL 65 HG22 VAL 65 -0.978 8.137 15.004 529 HG23 VAL 65 HG23 VAL 65 0.260 6.881 14.988 530 H VAL 66 H VAL 66 -1.950 10.559 13.738 531 HA VAL 66 HA VAL 66 -3.026 11.326 16.362 532 HB VAL 66 HB VAL 66 -4.426 11.703 13.724 533 HG11 VAL 66 HG11 VAL 66 -4.648 13.290 16.272 534 HG12 VAL 66 HG12 VAL 66 -5.726 13.320 14.875 535 HG13 VAL 66 HG13 VAL 66 -5.661 11.894 15.911 536 HG21 VAL 66 HG21 VAL 66 -2.247 12.775 13.540 537 HG22 VAL 66 HG22 VAL 66 -3.526 13.983 13.666 538 HG23 VAL 66 HG23 VAL 66 -2.518 13.617 15.066 539 H ASP 67 H ASP 67 -3.366 9.252 17.198 540 HA ASP 67 HA ASP 67 -5.375 7.623 15.792 541 HB2 ASP 67 HB2 ASP 67 -4.561 5.798 17.389 542 HB3 ASP 67 HB3 ASP 67 -3.452 6.290 16.111 543 H TRP 68 H TRP 68 -7.356 8.000 16.527 544 HA TRP 68 HA TRP 68 -7.790 8.014 19.427 545 HB2 TRP 68 HB2 TRP 68 -9.109 9.986 17.552 546 HB3 TRP 68 HB3 TRP 68 -9.308 9.895 19.300 547 HD1 TRP 68 HD1 TRP 68 -7.704 12.031 16.967 548 HE1 TRP 68 HE1 TRP 68 -5.617 13.184 17.937 549 HE3 TRP 68 HE3 TRP 68 -6.942 9.038 21.041 550 HZ2 TRP 68 HZ2 TRP 68 -3.878 12.867 20.137 551 HZ3 TRP 68 HZ3 TRP 68 -5.045 9.530 22.528 552 HH2 TRP 68 HH2 TRP 68 -3.545 11.405 22.083 553 HA PRO 69 HA PRO 69 -10.961 5.136 18.388 554 HB2 PRO 69 HB2 PRO 69 -12.398 5.266 20.688 555 HB3 PRO 69 HB3 PRO 69 -10.836 4.446 20.576 556 HG2 PRO 69 HG2 PRO 69 -11.468 7.182 21.612 557 HG3 PRO 69 HG3 PRO 69 -10.380 5.955 22.285 558 HD2 PRO 69 HD2 PRO 69 -9.483 8.065 20.844 559 HD3 PRO 69 HD3 PRO 69 -8.677 6.484 20.824 560 H PHE 70 H PHE 70 -11.337 7.732 17.283 561 HA PHE 70 HA PHE 70 -14.101 8.436 17.910 562 HB2 PHE 70 HB2 PHE 70 -12.217 9.760 15.950 563 HB3 PHE 70 HB3 PHE 70 -13.743 10.403 16.549 564 HD1 PHE 70 HD2 PHE 70 -12.858 9.128 19.418 565 HD2 PHE 70 HD1 PHE 70 -11.287 11.980 16.676 566 HE1 PHE 70 HE2 PHE 70 -11.664 10.237 21.261 567 HE2 PHE 70 HE1 PHE 70 -10.090 13.094 18.516 568 HZ PHE 70 HZ PHE 70 -10.279 12.223 20.812 569 H ASP 71 H ASP 71 -13.040 6.000 16.345 570 HA ASP 71 HA ASP 71 -14.083 6.341 13.695 571 HB2 ASP 71 HB2 ASP 71 -12.750 4.571 13.392 572 HB3 ASP 71 HB3 ASP 71 -12.588 4.343 15.131 573 H ASP 72 H ASP 72 -15.200 4.753 16.659 574 HA ASP 72 HA ASP 72 -17.909 5.267 16.199 575 HB2 ASP 72 HB2 ASP 72 -17.136 3.336 14.470 576 HB3 ASP 72 HB3 ASP 72 -17.583 2.345 15.856 577 H GLY 73 H GLY 73 -16.331 5.546 18.388 578 HA2 GLY 73 HA2 GLY 73 -17.799 4.133 20.372 579 HA3 GLY 73 HA3 GLY 73 -16.178 3.471 20.218 580 H ALA 74 H ALA 74 -14.523 4.474 21.212 581 HA ALA 74 HA ALA 74 -13.379 5.953 22.512 582 HB1 ALA 74 HB1 ALA 74 -14.574 8.408 22.313 583 HB2 ALA 74 HB2 ALA 74 -13.326 7.785 21.232 584 HB3 ALA 74 HB3 ALA 74 -15.028 7.639 20.792 585 HA PRO 75 HA PRO 75 -15.432 6.253 26.378 586 HB2 PRO 75 HB2 PRO 75 -14.204 8.373 27.547 587 HB3 PRO 75 HB3 PRO 75 -13.408 6.813 27.310 588 HG2 PRO 75 HG2 PRO 75 -13.199 9.313 25.677 589 HG3 PRO 75 HG3 PRO 75 -11.916 8.203 26.193 590 HD2 PRO 75 HD2 PRO 75 -12.975 8.150 23.701 591 HD3 PRO 75 HD3 PRO 75 -12.379 6.690 24.517 592 HA PRO 76 HA PRO 76 -18.754 9.136 25.719 593 HB2 PRO 76 HB2 PRO 76 -20.175 8.485 27.939 594 HB3 PRO 76 HB3 PRO 76 -20.137 7.472 26.491 595 HG2 PRO 76 HG2 PRO 76 -18.593 7.190 29.040 596 HG3 PRO 76 HG3 PRO 76 -19.401 5.939 28.077 597 HD2 PRO 76 HD2 PRO 76 -16.730 6.367 27.963 598 HD3 PRO 76 HD3 PRO 76 -17.668 5.808 26.563 599 HA PRO 77 HA PRO 77 -17.772 11.261 30.015 600 HB2 PRO 77 HB2 PRO 77 -15.240 10.796 30.877 601 HB3 PRO 77 HB3 PRO 77 -16.619 9.806 31.368 602 HG2 PRO 77 HG2 PRO 77 -14.559 9.273 29.262 603 HG3 PRO 77 HG3 PRO 77 -15.242 8.164 30.465 604 HD2 PRO 77 HD2 PRO 77 -16.066 8.203 27.886 605 HD3 PRO 77 HD3 PRO 77 -17.154 7.801 29.230 606 H GLY 78 H GLY 78 -15.689 12.782 30.640 607 HA2 GLY 78 HA2 GLY 78 -15.213 14.269 28.176 608 HA3 GLY 78 HA3 GLY 78 -14.937 14.849 29.812 609 H LYS 79 H LYS 79 -13.759 11.855 28.340 610 HA LYS 79 HA LYS 79 -11.051 12.577 29.115 611 HB2 LYS 79 HB2 LYS 79 -11.842 10.325 29.625 612 HB3 LYS 79 HB3 LYS 79 -12.174 10.034 27.923 613 HG2 LYS 79 HG2 LYS 79 -10.108 8.958 28.618 614 HG3 LYS 79 HG3 LYS 79 -9.799 10.212 27.415 615 HD2 LYS 79 HD2 LYS 79 -8.852 11.651 28.977 616 HD3 LYS 79 HD3 LYS 79 -9.622 10.835 30.340 617 HE2 LYS 79 HE2 LYS 79 -7.176 10.418 30.166 618 HE3 LYS 79 HE3 LYS 79 -8.155 8.952 30.119 619 HZ1 LYS 79 HZ1 LYS 79 -7.089 10.323 27.712 620 HZ2 LYS 79 HZ2 LYS 79 -7.886 8.832 27.760 621 HZ3 LYS 79 HZ3 LYS 79 -6.352 8.993 28.455 622 H VAL 80 H VAL 80 -12.815 11.676 26.166 623 HA VAL 80 HA VAL 80 -10.789 11.726 24.315 624 HB VAL 80 HB VAL 80 -13.667 12.560 24.098 625 HG11 VAL 80 HG11 VAL 80 -12.994 12.297 21.519 626 HG12 VAL 80 HG12 VAL 80 -13.005 13.850 22.358 627 HG13 VAL 80 HG13 VAL 80 -11.490 12.973 22.142 628 HG21 VAL 80 HG21 VAL 80 -12.082 10.132 23.666 629 HG22 VAL 80 HG22 VAL 80 -13.792 10.317 24.054 630 HG23 VAL 80 HG23 VAL 80 -13.243 10.486 22.387 631 H VAL 81 H VAL 81 -12.414 14.445 25.832 632 HA VAL 81 HA VAL 81 -11.689 16.548 24.225 633 HB VAL 81 HB VAL 81 -11.892 17.992 26.103 634 HG11 VAL 81 HG11 VAL 81 -13.661 15.738 26.948 635 HG12 VAL 81 HG12 VAL 81 -14.020 17.461 26.827 636 HG13 VAL 81 HG13 VAL 81 -13.879 16.483 25.366 637 HG21 VAL 81 HG21 VAL 81 -10.370 17.099 27.666 638 HG22 VAL 81 HG22 VAL 81 -11.951 17.006 28.443 639 HG23 VAL 81 HG23 VAL 81 -11.228 15.560 27.741 640 H GLU 82 H GLU 82 -9.728 14.962 26.716 641 HA GLU 82 HA GLU 82 -7.526 16.649 26.696 642 HB2 GLU 82 HB2 GLU 82 -8.076 13.890 27.512 643 HB3 GLU 82 HB3 GLU 82 -6.404 14.158 27.041 644 HG2 GLU 82 HG2 GLU 82 -7.709 16.065 28.920 645 HG3 GLU 82 HG3 GLU 82 -7.167 14.496 29.512 646 H ASP 83 H ASP 83 -8.088 13.743 24.720 647 HA ASP 83 HA ASP 83 -5.697 13.980 23.223 648 HB2 ASP 83 HB2 ASP 83 -8.264 12.592 22.423 649 HB3 ASP 83 HB3 ASP 83 -6.662 12.303 21.750 650 H TRP 84 H TRP 84 -8.874 15.370 22.897 651 HA TRP 84 HA TRP 84 -8.791 16.125 20.201 652 HB2 TRP 84 HB2 TRP 84 -10.557 16.456 22.331 653 HB3 TRP 84 HB3 TRP 84 -10.110 18.099 21.879 654 HD1 TRP 84 HD1 TRP 84 -12.803 15.936 21.231 655 HE1 TRP 84 HE1 TRP 84 -13.836 16.261 18.897 656 HE3 TRP 84 HE3 TRP 84 -8.989 18.514 19.008 657 HZ2 TRP 84 HZ2 TRP 84 -13.128 17.453 16.438 658 HZ3 TRP 84 HZ3 TRP 84 -9.246 19.209 16.662 659 HH2 TRP 84 HH2 TRP 84 -11.273 18.688 15.405 660 H LEU 85 H LEU 85 -8.343 18.346 22.956 661 HA LEU 85 HA LEU 85 -7.184 20.406 21.478 662 HB2 LEU 85 HB2 LEU 85 -6.730 19.741 24.383 663 HB3 LEU 85 HB3 LEU 85 -6.415 21.295 23.614 664 HG LEU 85 HG LEU 85 -8.420 21.853 24.447 665 HD11 LEU 85 HD11 LEU 85 -10.179 21.639 22.924 666 HD12 LEU 85 HD12 LEU 85 -9.635 20.053 22.378 667 HD13 LEU 85 HD13 LEU 85 -8.726 21.498 21.934 668 HD21 LEU 85 HD21 LEU 85 -9.444 20.444 25.821 669 HD22 LEU 85 HD22 LEU 85 -8.407 19.150 25.218 670 HD23 LEU 85 HD23 LEU 85 -9.975 19.447 24.466 671 H SER 86 H SER 86 -5.689 17.700 23.191 672 HA SER 86 HA SER 86 -3.027 18.420 23.040 673 HB2 SER 86 HB2 SER 86 -3.928 16.404 24.214 674 HB3 SER 86 HB3 SER 86 -4.105 15.619 22.645 675 HG SER 86 HG SER 86 -1.633 16.686 23.494 676 H LEU 87 H LEU 87 -4.773 16.377 20.691 677 HA LEU 87 HA LEU 87 -2.783 16.125 18.800 678 HB2 LEU 87 HB2 LEU 87 -4.581 14.810 18.320 679 HB3 LEU 87 HB3 LEU 87 -5.747 16.067 18.730 680 HG LEU 87 HG LEU 87 -5.170 17.194 16.574 681 HD11 LEU 87 HD11 LEU 87 -4.171 15.392 14.918 682 HD12 LEU 87 HD12 LEU 87 -3.383 14.830 16.392 683 HD13 LEU 87 HD13 LEU 87 -3.135 16.485 15.837 684 HD21 LEU 87 HD21 LEU 87 -7.160 16.098 16.379 685 HD22 LEU 87 HD22 LEU 87 -6.469 14.532 16.805 686 HD23 LEU 87 HD23 LEU 87 -6.216 15.198 15.191 687 H VAL 88 H VAL 88 -5.431 18.517 18.678 688 HA VAL 88 HA VAL 88 -4.514 19.996 16.527 689 HB VAL 88 HB VAL 88 -5.854 21.300 18.882 690 HG11 VAL 88 HG11 VAL 88 -6.924 22.653 17.180 691 HG12 VAL 88 HG12 VAL 88 -5.172 22.706 16.978 692 HG13 VAL 88 HG13 VAL 88 -6.155 21.704 15.908 693 HG21 VAL 88 HG21 VAL 88 -7.904 20.477 17.257 694 HG22 VAL 88 HG22 VAL 88 -6.826 19.081 17.253 695 HG23 VAL 88 HG23 VAL 88 -7.436 19.719 18.779 696 H LYS 89 H LYS 89 -4.156 20.969 19.942 697 HA LYS 89 HA LYS 89 -2.409 23.062 19.587 698 HB2 LYS 89 HB2 LYS 89 -2.721 21.099 21.846 699 HB3 LYS 89 HB3 LYS 89 -1.555 22.413 21.930 700 HG2 LYS 89 HG2 LYS 89 -3.431 24.006 21.531 701 HG3 LYS 89 HG3 LYS 89 -4.544 22.642 21.665 702 HD2 LYS 89 HD2 LYS 89 -4.443 23.738 23.793 703 HD3 LYS 89 HD3 LYS 89 -3.606 22.191 23.932 704 HE2 LYS 89 HE2 LYS 89 -2.405 24.052 25.035 705 HE3 LYS 89 HE3 LYS 89 -1.465 23.279 23.760 706 HZ1 LYS 89 HZ1 LYS 89 -1.803 25.079 22.329 707 HZ2 LYS 89 HZ2 LYS 89 -1.467 25.795 23.824 708 HZ3 LYS 89 HZ3 LYS 89 -3.061 25.719 23.262 709 H ALA 90 H ALA 90 -1.798 19.698 19.221 710 HA ALA 90 HA ALA 90 1.079 19.947 19.451 711 HB1 ALA 90 HB1 ALA 90 -0.068 17.900 20.187 712 HB2 ALA 90 HB2 ALA 90 -0.572 17.601 18.524 713 HB3 ALA 90 HB3 ALA 90 1.140 17.579 18.943 714 H LYS 91 H LYS 91 -1.041 18.752 16.839 715 HA LYS 91 HA LYS 91 0.794 18.824 14.785 716 HB2 LYS 91 HB2 LYS 91 -1.288 19.255 13.313 717 HB3 LYS 91 HB3 LYS 91 -1.224 17.780 14.268 718 HG2 LYS 91 HG2 LYS 91 -3.193 18.318 15.119 719 HG3 LYS 91 HG3 LYS 91 -2.425 19.692 15.918 720 HD2 LYS 91 HD2 LYS 91 -3.154 20.018 13.063 721 HD3 LYS 91 HD3 LYS 91 -4.476 19.967 14.232 722 HE2 LYS 91 HE2 LYS 91 -2.807 21.665 15.485 723 HE3 LYS 91 HE3 LYS 91 -2.384 22.009 13.808 724 HZ1 LYS 91 HZ1 LYS 91 -4.287 23.086 13.497 725 HZ2 LYS 91 HZ2 LYS 91 -4.493 23.058 15.175 726 HZ3 LYS 91 HZ3 LYS 91 -5.212 21.865 14.215 727 H PHE 92 H PHE 92 -1.039 21.456 16.186 728 HA PHE 92 HA PHE 92 -0.241 23.333 14.134 729 HB2 PHE 92 HB2 PHE 92 -2.287 24.007 14.902 730 HB3 PHE 92 HB3 PHE 92 -1.999 23.393 16.526 731 HD1 PHE 92 HD1 PHE 92 -1.404 26.201 14.229 732 HD2 PHE 92 HD2 PHE 92 -1.071 24.775 18.226 733 HE1 PHE 92 HE1 PHE 92 -0.919 28.487 15.001 734 HE2 PHE 92 HE2 PHE 92 -0.587 27.058 19.004 735 HZ PHE 92 HZ PHE 92 -0.511 28.918 17.391 736 H CYS 93 H CYS 93 0.922 22.222 17.177 737 HA CYS 93 HA CYS 93 2.620 24.536 17.612 738 HB2 CYS 93 HB2 CYS 93 1.724 23.566 19.599 739 HB3 CYS 93 HB3 CYS 93 2.228 21.951 19.118 740 HG CYS 93 HG CYS 93 4.273 24.501 20.127 741 H GLU 94 H GLU 94 2.790 21.428 16.137 742 HA GLU 94 HA GLU 94 5.694 21.347 16.172 743 HB2 GLU 94 HB2 GLU 94 5.431 19.234 14.939 744 HB3 GLU 94 HB3 GLU 94 4.485 19.249 16.420 745 HG2 GLU 94 HG2 GLU 94 2.639 18.813 15.292 746 HG3 GLU 94 HG3 GLU 94 2.878 20.238 14.282 747 H ALA 95 H ALA 95 3.159 22.470 14.148 748 HA ALA 95 HA ALA 95 5.134 23.183 12.098 749 HB1 ALA 95 HB1 ALA 95 3.385 21.160 11.660 750 HB2 ALA 95 HB2 ALA 95 2.469 22.537 11.046 751 HB3 ALA 95 HB3 ALA 95 4.068 22.180 10.393 752 HA PRO 96 HA PRO 96 3.341 27.187 12.168 753 HB2 PRO 96 HB2 PRO 96 3.509 27.938 9.565 754 HB3 PRO 96 HB3 PRO 96 4.920 27.813 10.622 755 HG2 PRO 96 HG2 PRO 96 3.896 25.865 8.592 756 HG3 PRO 96 HG3 PRO 96 5.564 26.372 8.914 757 HD2 PRO 96 HD2 PRO 96 4.546 24.039 9.837 758 HD3 PRO 96 HD3 PRO 96 5.777 24.961 10.725 759 H GLY 97 H GLY 97 2.302 26.766 8.895 760 HA2 GLY 97 HA2 GLY 97 -0.498 26.838 9.821 761 HA3 GLY 97 HA3 GLY 97 0.077 27.530 8.311 762 H SER 98 H SER 98 1.138 24.394 9.403 763 HA SER 98 HA SER 98 0.450 23.121 6.999 764 HB2 SER 98 HB2 SER 98 0.914 21.799 9.682 765 HB3 SER 98 HB3 SER 98 1.084 21.052 8.093 766 HG SER 98 HG SER 98 2.882 22.240 7.715 767 H CYS 99 H CYS 99 -0.727 20.701 7.823 768 HA CYS 99 HA CYS 99 -3.400 21.491 8.739 769 HB2 CYS 99 HB2 CYS 99 -2.863 19.771 6.309 770 HB3 CYS 99 HB3 CYS 99 -4.447 20.172 6.961 771 HG CYS 99 HG CYS 99 -2.290 22.166 5.251 772 H VAL 100 H VAL 100 -4.784 19.478 9.129 773 HA VAL 100 HA VAL 100 -3.097 17.363 10.303 774 HB VAL 100 HB VAL 100 -4.011 17.782 12.283 775 HG11 VAL 100 HG11 VAL 100 -5.506 19.646 12.657 776 HG12 VAL 100 HG12 VAL 100 -4.280 20.097 11.471 777 HG13 VAL 100 HG13 VAL 100 -5.916 19.699 10.943 778 HG21 VAL 100 HG21 VAL 100 -6.713 17.361 11.012 779 HG22 VAL 100 HG22 VAL 100 -5.643 16.069 11.557 780 HG23 VAL 100 HG23 VAL 100 -6.315 17.209 12.723 781 H ALA 101 H ALA 101 -3.558 15.304 9.790 782 HA ALA 101 HA ALA 101 -5.852 14.839 8.015 783 HB1 ALA 101 HB1 ALA 101 -3.282 14.246 7.552 784 HB2 ALA 101 HB2 ALA 101 -3.790 12.747 8.331 785 HB3 ALA 101 HB3 ALA 101 -4.623 13.314 6.884 786 H VAL 102 H VAL 102 -7.576 13.881 8.849 787 HA VAL 102 HA VAL 102 -7.201 11.891 10.985 788 HB VAL 102 HB VAL 102 -9.162 12.671 12.151 789 HG11 VAL 102 HG11 VAL 102 -6.767 13.947 12.135 790 HG12 VAL 102 HG12 VAL 102 -7.870 15.285 11.809 791 HG13 VAL 102 HG13 VAL 102 -8.079 14.301 13.258 792 HG21 VAL 102 HG21 VAL 102 -9.363 14.777 10.000 793 HG22 VAL 102 HG22 VAL 102 -10.474 13.429 10.251 794 HG23 VAL 102 HG23 VAL 102 -10.352 14.708 11.459 795 H HIS 103 H HIS 103 -8.675 10.180 11.019 796 HA HIS 103 HA HIS 103 -9.923 9.640 8.452 797 HB2 HIS 103 HB2 HIS 103 -8.607 7.857 9.402 798 HB3 HIS 103 HB3 HIS 103 -9.514 7.929 10.910 799 HD1 HIS 103 HD1 HIS 103 -9.346 6.104 7.827 800 HD2 HIS 103 HD2 HIS 103 -12.378 7.208 10.444 801 HE1 HIS 103 HE1 HIS 103 -11.271 4.571 7.310 802 H CYS 104 H CYS 104 -12.079 9.433 8.078 803 HA CYS 104 HA CYS 104 -13.966 9.478 10.281 804 HB2 CYS 104 HB2 CYS 104 -13.426 11.815 8.548 805 HB3 CYS 104 HB3 CYS 104 -15.123 11.428 8.803 806 HG CYS 104 HG CYS 104 -13.187 11.558 11.563 807 H VAL 105 H VAL 105 -16.015 8.737 9.725 808 HA VAL 105 HA VAL 105 -16.115 7.166 7.306 809 HB VAL 105 HB VAL 105 -18.553 6.774 8.310 810 HG11 VAL 105 HG11 VAL 105 -17.354 4.855 8.200 811 HG12 VAL 105 HG12 VAL 105 -15.908 5.588 8.897 812 HG13 VAL 105 HG13 VAL 105 -17.245 5.105 9.942 813 HG21 VAL 105 HG21 VAL 105 -17.923 8.596 10.063 814 HG22 VAL 105 HG22 VAL 105 -18.795 7.152 10.576 815 HG23 VAL 105 HG23 VAL 105 -17.058 7.276 10.848 816 H ALA 106 H ALA 106 -19.026 8.649 8.488 817 HA ALA 106 HA ALA 106 -19.320 10.032 5.906 818 HB1 ALA 106 HB1 ALA 106 -20.971 8.167 7.034 819 HB2 ALA 106 HB2 ALA 106 -21.746 9.683 7.496 820 HB3 ALA 106 HB3 ALA 106 -21.442 9.331 5.795 821 H GLY 107 H GLY 107 -19.437 10.406 9.375 822 HA2 GLY 107 HA2 GLY 107 -18.745 12.765 9.998 823 HA3 GLY 107 HA3 GLY 107 -20.120 13.256 9.021 824 H LEU 108 H LEU 108 -22.127 13.266 9.900 825 HA LEU 108 HA LEU 108 -23.479 13.652 11.754 826 HB2 LEU 108 HB2 LEU 108 -22.997 10.682 11.668 827 HB3 LEU 108 HB3 LEU 108 -24.260 11.438 12.638 828 HG LEU 108 HG LEU 108 -24.062 11.535 9.627 829 HD11 LEU 108 HD11 LEU 108 -26.012 10.039 11.369 830 HD12 LEU 108 HD12 LEU 108 -24.624 9.307 10.567 831 HD13 LEU 108 HD13 LEU 108 -25.921 10.020 9.608 832 HD21 LEU 108 HD21 LEU 108 -25.420 13.286 9.793 833 HD22 LEU 108 HD22 LEU 108 -25.553 13.098 11.542 834 HD23 LEU 108 HD23 LEU 108 -26.631 12.199 10.473 835 H GLY 109 H GLY 109 -23.770 12.153 14.107 836 HA2 GLY 109 HA2 GLY 109 -22.903 13.041 16.223 837 HA3 GLY 109 HA3 GLY 109 -22.242 11.436 15.943 838 H ARG 110 H ARG 110 -20.081 11.185 15.589 839 HA ARG 110 HA ARG 110 -18.188 12.684 16.665 840 HB2 ARG 110 HB2 ARG 110 -16.763 11.998 14.489 841 HB3 ARG 110 HB3 ARG 110 -17.200 10.858 15.754 842 HG2 ARG 110 HG2 ARG 110 -19.203 11.162 13.636 843 HG3 ARG 110 HG3 ARG 110 -17.659 10.486 13.113 844 HD2 ARG 110 HD2 ARG 110 -18.429 8.524 13.843 845 HD3 ARG 110 HD3 ARG 110 -18.175 9.154 15.470 846 HE ARG 110 HE ARG 110 -20.719 9.881 14.373 847 HH11 ARG 110 HH11 ARG 110 -18.950 7.376 16.021 848 HH12 ARG 110 HH12 ARG 110 -20.361 6.672 16.739 849 HH21 ARG 110 HH21 ARG 110 -22.584 8.963 15.313 850 HH22 ARG 110 HH22 ARG 110 -22.427 7.575 16.335 851 H ALA 111 H ALA 111 -19.189 13.175 13.278 852 HA ALA 111 HA ALA 111 -17.671 15.216 12.444 853 HB1 ALA 111 HB1 ALA 111 -20.512 14.544 12.024 854 HB2 ALA 111 HB2 ALA 111 -20.019 16.172 11.556 855 HB3 ALA 111 HB3 ALA 111 -19.211 14.770 10.855 856 HA PRO 112 HA PRO 112 -20.060 18.787 14.513 857 HB2 PRO 112 HB2 PRO 112 -22.403 18.254 15.777 858 HB3 PRO 112 HB3 PRO 112 -22.301 18.592 14.045 859 HG2 PRO 112 HG2 PRO 112 -22.499 15.957 15.453 860 HG3 PRO 112 HG3 PRO 112 -23.338 16.511 13.992 861 HD2 PRO 112 HD2 PRO 112 -21.171 14.890 13.901 862 HD3 PRO 112 HD3 PRO 112 -21.524 16.085 12.636 863 H VAL 113 H VAL 113 -20.581 15.787 16.349 864 HA VAL 113 HA VAL 113 -20.417 16.800 18.924 865 HB VAL 113 HB VAL 113 -19.667 14.130 17.773 866 HG11 VAL 113 HG11 VAL 113 -19.351 15.054 20.619 867 HG12 VAL 113 HG12 VAL 113 -19.488 13.353 20.170 868 HG13 VAL 113 HG13 VAL 113 -18.139 14.319 19.571 869 HG21 VAL 113 HG21 VAL 113 -21.593 13.456 19.279 870 HG22 VAL 113 HG22 VAL 113 -21.900 15.179 19.494 871 HG23 VAL 113 HG23 VAL 113 -22.003 14.459 17.888 872 H LEU 114 H LEU 114 -17.753 15.343 17.046 873 HA LEU 114 HA LEU 114 -15.711 15.938 18.850 874 HB2 LEU 114 HB2 LEU 114 -15.728 15.516 15.879 875 HB3 LEU 114 HB3 LEU 114 -14.237 15.835 16.762 876 HG LEU 114 HG LEU 114 -16.070 13.465 17.113 877 HD11 LEU 114 HD11 LEU 114 -14.623 12.253 15.878 878 HD12 LEU 114 HD12 LEU 114 -13.218 13.171 16.420 879 HD13 LEU 114 HD13 LEU 114 -14.264 13.824 15.160 880 HD21 LEU 114 HD21 LEU 114 -15.207 14.018 19.264 881 HD22 LEU 114 HD22 LEU 114 -13.593 14.297 18.612 882 HD23 LEU 114 HD23 LEU 114 -14.259 12.664 18.648 883 H VAL 115 H VAL 115 -16.471 17.679 15.827 884 HA VAL 115 HA VAL 115 -14.755 19.817 16.154 885 HB VAL 115 HB VAL 115 -16.160 21.073 14.637 886 HG11 VAL 115 HG11 VAL 115 -14.897 19.490 13.478 887 HG12 VAL 115 HG12 VAL 115 -15.864 18.142 14.078 888 HG13 VAL 115 HG13 VAL 115 -16.535 19.243 12.874 889 HG21 VAL 115 HG21 VAL 115 -18.327 20.718 15.601 890 HG22 VAL 115 HG22 VAL 115 -18.366 20.154 13.930 891 HG23 VAL 115 HG23 VAL 115 -18.252 18.991 15.251 892 H ALA 116 H ALA 116 -17.916 19.277 17.579 893 HA ALA 116 HA ALA 116 -18.391 21.874 18.544 894 HB1 ALA 116 HB1 ALA 116 -19.732 20.473 20.337 895 HB2 ALA 116 HB2 ALA 116 -20.280 20.597 18.665 896 HB3 ALA 116 HB3 ALA 116 -19.410 19.161 19.204 897 H LEU 117 H LEU 117 -16.705 19.109 19.974 898 HA LEU 117 HA LEU 117 -16.274 20.216 22.518 899 HB2 LEU 117 HB2 LEU 117 -15.965 17.820 21.825 900 HB3 LEU 117 HB3 LEU 117 -14.444 18.306 21.079 901 HG LEU 117 HG LEU 117 -14.302 17.224 23.366 902 HD11 LEU 117 HD11 LEU 117 -13.117 19.981 23.285 903 HD12 LEU 117 HD12 LEU 117 -12.558 18.685 22.229 904 HD13 LEU 117 HD13 LEU 117 -12.438 18.509 23.980 905 HD21 LEU 117 HD21 LEU 117 -14.841 19.819 24.637 906 HD22 LEU 117 HD22 LEU 117 -15.171 18.182 25.206 907 HD23 LEU 117 HD23 LEU 117 -16.265 18.955 24.057 908 H ALA 118 H ALA 118 -14.193 20.176 19.633 909 HA ALA 118 HA ALA 118 -12.113 21.711 20.813 910 HB1 ALA 118 HB1 ALA 118 -12.317 20.215 18.561 911 HB2 ALA 118 HB2 ALA 118 -12.374 21.847 17.891 912 HB3 ALA 118 HB3 ALA 118 -11.008 21.351 18.891 913 H LEU 119 H LEU 119 -14.971 22.514 18.923 914 HA LEU 119 HA LEU 119 -14.357 25.187 18.348 915 HB2 LEU 119 HB2 LEU 119 -16.149 24.245 17.176 916 HB3 LEU 119 HB3 LEU 119 -16.931 23.683 18.652 917 HG LEU 119 HG LEU 119 -17.604 25.934 19.206 918 HD11 LEU 119 HD11 LEU 119 -15.793 27.252 18.452 919 HD12 LEU 119 HD12 LEU 119 -17.196 27.755 17.509 920 HD13 LEU 119 HD13 LEU 119 -15.984 26.695 16.790 921 HD21 LEU 119 HD21 LEU 119 -18.962 24.552 17.614 922 HD22 LEU 119 HD22 LEU 119 -18.220 25.459 16.296 923 HD23 LEU 119 HD23 LEU 119 -19.215 26.293 17.491 924 H ILE 120 H ILE 120 -16.115 23.760 21.084 925 HA ILE 120 HA ILE 120 -16.679 26.204 22.383 926 HB ILE 120 HB ILE 120 -16.763 23.340 23.141 927 HG12 ILE 120 HG12 ILE 120 -19.031 23.906 23.774 928 HG13 ILE 120 HG13 ILE 120 -18.680 25.625 23.644 929 HG21 ILE 120 HG21 ILE 120 -15.592 24.094 25.051 930 HG22 ILE 120 HG22 ILE 120 -16.551 25.570 25.146 931 HG23 ILE 120 HG23 ILE 120 -17.290 24.013 25.519 932 HD11 ILE 120 HD11 ILE 120 -18.925 25.635 21.412 933 HD12 ILE 120 HD12 ILE 120 -18.199 24.040 21.215 934 HD13 ILE 120 HD13 ILE 120 -19.880 24.186 21.725 935 H GLU 121 H GLU 121 -14.062 23.840 22.799 936 HA GLU 121 HA GLU 121 -12.786 25.144 24.944 937 HB2 GLU 121 HB2 GLU 121 -11.588 23.339 22.835 938 HB3 GLU 121 HB3 GLU 121 -10.827 23.773 24.359 939 HG2 GLU 121 HG2 GLU 121 -13.516 22.493 24.388 940 HG3 GLU 121 HG3 GLU 121 -12.087 21.504 24.092 941 H SER 122 H SER 122 -12.968 25.899 21.622 942 HA SER 122 HA SER 122 -10.491 27.336 21.440 943 HB2 SER 122 HB2 SER 122 -10.971 27.512 19.233 944 HB3 SER 122 HB3 SER 122 -12.231 26.331 19.589 945 HG SER 122 HG SER 122 -13.689 27.811 19.263 946 H GLY 123 H GLY 123 -13.667 28.024 22.574 947 HA2 GLY 123 HA2 GLY 123 -13.646 30.049 24.073 948 HA3 GLY 123 HA3 GLY 123 -13.014 30.904 22.674 949 H MET 124 H MET 124 -15.356 28.474 22.052 950 HA MET 124 HA MET 124 -17.307 30.565 21.400 951 HB2 MET 124 HB2 MET 124 -16.390 28.397 19.942 952 HB3 MET 124 HB3 MET 124 -17.960 27.860 20.524 953 HG2 MET 124 HG2 MET 124 -18.534 28.839 18.542 954 HG3 MET 124 HG3 MET 124 -18.760 30.182 19.660 955 HE1 MET 124 HE1 MET 124 -16.444 32.839 18.539 956 HE2 MET 124 HE2 MET 124 -18.164 32.470 18.665 957 HE3 MET 124 HE3 MET 124 -17.082 32.103 20.010 958 H LYS 125 H LYS 125 -19.532 30.290 21.930 959 HA LYS 125 HA LYS 125 -19.932 29.210 24.554 960 HB2 LYS 125 HB2 LYS 125 -22.424 29.874 23.373 961 HB3 LYS 125 HB3 LYS 125 -21.517 30.779 24.577 962 HG2 LYS 125 HG2 LYS 125 -20.265 31.875 22.741 963 HG3 LYS 125 HG3 LYS 125 -21.307 31.042 21.586 964 HD2 LYS 125 HD2 LYS 125 -22.390 33.062 21.778 965 HD3 LYS 125 HD3 LYS 125 -23.229 32.114 23.009 966 HE2 LYS 125 HE2 LYS 125 -22.108 33.170 24.757 967 HE3 LYS 125 HE3 LYS 125 -20.812 33.740 23.707 968 HZ1 LYS 125 HZ1 LYS 125 -23.609 34.735 23.747 969 HZ2 LYS 125 HZ2 LYS 125 -22.424 35.239 22.651 970 HZ3 LYS 125 HZ3 LYS 125 -22.241 35.561 24.302 971 H TYR 126 H TYR 126 -20.774 27.304 25.128 972 HA TYR 126 HA TYR 126 -20.969 25.146 23.436 973 HB2 TYR 126 HB2 TYR 126 -21.023 24.293 25.518 974 HB3 TYR 126 HB3 TYR 126 -21.770 25.740 26.185 975 HD1 TYR 126 HD2 TYR 126 -22.619 22.741 24.130 976 HD2 TYR 126 HD1 TYR 126 -23.948 25.621 26.966 977 HE1 TYR 126 HE2 TYR 126 -24.750 21.533 24.351 978 HE2 TYR 126 HE1 TYR 126 -26.082 24.420 27.195 979 HH TYR 126 HH TYR 126 -27.446 22.761 25.543 980 H GLU 127 H GLU 127 -23.655 27.147 24.648 981 HA GLU 127 HA GLU 127 -25.722 25.843 23.305 982 HB2 GLU 127 HB2 GLU 127 -25.512 28.773 24.025 983 HB3 GLU 127 HB3 GLU 127 -26.996 27.935 23.594 984 HG2 GLU 127 HG2 GLU 127 -25.959 26.405 25.642 985 HG3 GLU 127 HG3 GLU 127 -25.599 28.061 26.128 986 H ASP 128 H ASP 128 -24.061 28.848 22.332 987 HA ASP 128 HA ASP 128 -25.242 29.201 19.867 988 HB2 ASP 128 HB2 ASP 128 -23.317 30.513 21.236 989 HB3 ASP 128 HB3 ASP 128 -22.338 29.766 19.977 990 H ALA 129 H ALA 129 -22.145 27.537 20.476 991 HA ALA 129 HA ALA 129 -21.619 26.660 17.918 992 HB1 ALA 129 HB1 ALA 129 -19.968 26.396 19.610 993 HB2 ALA 129 HB2 ALA 129 -21.020 25.344 20.559 994 HB3 ALA 129 HB3 ALA 129 -20.370 24.783 19.018 995 H ILE 130 H ILE 130 -23.525 25.008 20.425 996 HA ILE 130 HA ILE 130 -24.114 22.675 19.039 997 HB ILE 130 HB ILE 130 -25.738 24.185 21.080 998 HG12 ILE 130 HG12 ILE 130 -24.259 23.265 22.489 999 HG13 ILE 130 HG13 ILE 130 -24.893 21.686 22.039 1000 HG21 ILE 130 HG21 ILE 130 -26.276 21.502 19.824 1001 HG22 ILE 130 HG22 ILE 130 -27.009 22.039 21.335 1002 HG23 ILE 130 HG23 ILE 130 -27.327 22.918 19.840 1003 HD11 ILE 130 HD11 ILE 130 -22.563 23.121 20.792 1004 HD12 ILE 130 HD12 ILE 130 -22.514 21.676 21.803 1005 HD13 ILE 130 HD13 ILE 130 -23.242 21.605 20.199 1006 H GLN 131 H GLN 131 -26.140 25.605 19.270 1007 HA GLN 131 HA GLN 131 -28.167 24.857 17.562 1008 HB2 GLN 131 HB2 GLN 131 -26.952 27.540 18.166 1009 HB3 GLN 131 HB3 GLN 131 -28.298 27.383 17.045 1010 HG2 GLN 131 HG2 GLN 131 -28.458 27.696 19.781 1011 HG3 GLN 131 HG3 GLN 131 -29.763 27.217 18.697 1012 HE21 GLN 131 HE21 GLN 131 -27.570 26.219 21.144 1013 HE22 GLN 131 HE22 GLN 131 -28.166 24.609 21.332 1014 H PHE 132 H PHE 132 -24.940 25.952 16.791 1015 HA PHE 132 HA PHE 132 -25.406 26.453 14.031 1016 HB2 PHE 132 HB2 PHE 132 -23.461 27.308 15.428 1017 HB3 PHE 132 HB3 PHE 132 -22.762 25.700 15.275 1018 HD1 PHE 132 HD1 PHE 132 -24.590 27.717 12.748 1019 HD2 PHE 132 HD2 PHE 132 -20.885 26.000 13.947 1020 HE1 PHE 132 HE1 PHE 132 -23.598 28.358 10.589 1021 HE2 PHE 132 HE2 PHE 132 -19.887 26.639 11.792 1022 HZ PHE 132 HZ PHE 132 -21.243 27.821 10.109 1023 H ILE 133 H ILE 133 -23.536 23.826 15.561 1024 HA ILE 133 HA ILE 133 -23.497 22.218 13.235 1025 HB ILE 133 HB ILE 133 -22.774 20.387 14.780 1026 HG12 ILE 133 HG12 ILE 133 -22.568 22.366 16.995 1027 HG13 ILE 133 HG13 ILE 133 -24.142 21.635 16.704 1028 HG21 ILE 133 HG21 ILE 133 -20.646 21.187 14.853 1029 HG22 ILE 133 HG22 ILE 133 -21.359 22.410 13.803 1030 HG23 ILE 133 HG23 ILE 133 -21.136 22.744 15.520 1031 HD11 ILE 133 HD11 ILE 133 -23.427 19.540 17.306 1032 HD12 ILE 133 HD12 ILE 133 -21.738 19.893 16.940 1033 HD13 ILE 133 HD13 ILE 133 -22.485 20.562 18.391 1034 H ARG 134 H ARG 134 -25.962 22.867 15.434 1035 HA ARG 134 HA ARG 134 -27.297 20.301 15.081 1036 HB2 ARG 134 HB2 ARG 134 -27.346 21.376 17.294 1037 HB3 ARG 134 HB3 ARG 134 -28.166 22.768 16.597 1038 HG2 ARG 134 HG2 ARG 134 -30.164 21.730 16.531 1039 HG3 ARG 134 HG3 ARG 134 -29.456 20.159 16.146 1040 HD2 ARG 134 HD2 ARG 134 -28.944 19.717 18.393 1041 HD3 ARG 134 HD3 ARG 134 -29.152 21.405 18.859 1042 HE ARG 134 HE ARG 134 -31.208 19.408 18.598 1043 HH11 ARG 134 HH11 ARG 134 -30.494 22.815 18.622 1044 HH12 ARG 134 HH12 ARG 134 -32.100 23.281 19.075 1045 HH21 ARG 134 HH21 ARG 134 -33.326 20.009 19.195 1046 HH22 ARG 134 HH22 ARG 134 -33.710 21.684 19.402 1047 H GLN 135 H GLN 135 -27.734 23.711 14.240 1048 HA GLN 135 HA GLN 135 -30.214 23.377 12.915 1049 HB2 GLN 135 HB2 GLN 135 -29.927 25.610 12.128 1050 HB3 GLN 135 HB3 GLN 135 -29.270 25.550 13.758 1051 HG2 GLN 135 HG2 GLN 135 -27.030 25.505 12.924 1052 HG3 GLN 135 HG3 GLN 135 -27.602 25.338 11.265 1053 HE21 GLN 135 HE21 GLN 135 -26.108 27.240 11.105 1054 HE22 GLN 135 HE22 GLN 135 -26.800 28.805 11.340 1055 H LYS 136 H LYS 136 -26.872 23.136 11.882 1056 HA LYS 136 HA LYS 136 -27.180 23.215 9.124 1057 HB2 LYS 136 HB2 LYS 136 -25.136 21.720 9.088 1058 HB3 LYS 136 HB3 LYS 136 -24.977 23.214 10.002 1059 HG2 LYS 136 HG2 LYS 136 -24.938 22.131 12.030 1060 HG3 LYS 136 HG3 LYS 136 -25.795 20.717 11.411 1061 HD2 LYS 136 HD2 LYS 136 -23.206 21.218 10.130 1062 HD3 LYS 136 HD3 LYS 136 -23.104 20.853 11.854 1063 HE2 LYS 136 HE2 LYS 136 -23.830 18.720 11.582 1064 HE3 LYS 136 HE3 LYS 136 -24.891 19.138 10.237 1065 HZ1 LYS 136 HZ1 LYS 136 -21.962 19.195 9.903 1066 HZ2 LYS 136 HZ2 LYS 136 -23.163 19.012 8.727 1067 HZ3 LYS 136 HZ3 LYS 136 -22.808 17.735 9.778 1068 H ARG 137 H ARG 137 -27.846 20.634 11.394 1069 HA ARG 137 HA ARG 137 -29.094 19.117 9.216 1070 HB2 ARG 137 HB2 ARG 137 -26.949 18.050 9.556 1071 HB3 ARG 137 HB3 ARG 137 -27.214 17.986 11.293 1072 HG2 ARG 137 HG2 ARG 137 -28.163 16.002 11.086 1073 HG3 ARG 137 HG3 ARG 137 -29.392 16.686 10.020 1074 HD2 ARG 137 HD2 ARG 137 -27.278 16.505 8.331 1075 HD3 ARG 137 HD3 ARG 137 -26.986 15.120 9.383 1076 HE ARG 137 HE ARG 137 -29.663 15.045 8.636 1077 HH11 ARG 137 HH11 ARG 137 -26.531 14.813 7.133 1078 HH12 ARG 137 HH12 ARG 137 -27.078 13.784 5.851 1079 HH21 ARG 137 HH21 ARG 137 -30.395 13.691 6.953 1080 HH22 ARG 137 HH22 ARG 137 -29.277 13.147 5.749 1081 H ARG 138 H ARG 138 -28.632 17.899 12.454 1082 HA ARG 138 HA ARG 138 -30.775 18.868 13.839 1083 HB2 ARG 138 HB2 ARG 138 -31.648 17.226 11.635 1084 HB3 ARG 138 HB3 ARG 138 -32.123 16.495 13.162 1085 HG2 ARG 138 HG2 ARG 138 -32.862 19.029 13.631 1086 HG3 ARG 138 HG3 ARG 138 -33.049 18.979 11.877 1087 HD2 ARG 138 HD2 ARG 138 -34.874 17.700 12.011 1088 HD3 ARG 138 HD3 ARG 138 -34.122 16.614 13.179 1089 HE ARG 138 HE ARG 138 -34.708 18.812 14.650 1090 HH11 ARG 138 HH11 ARG 138 -36.568 16.773 12.528 1091 HH12 ARG 138 HH12 ARG 138 -38.056 17.023 13.379 1092 HH21 ARG 138 HH21 ARG 138 -36.661 19.149 15.779 1093 HH22 ARG 138 HH22 ARG 138 -38.108 18.376 15.227 1094 H GLY 139 H GLY 139 -30.660 18.087 15.861 1095 HA2 GLY 139 HA2 GLY 139 -29.797 16.878 17.623 1096 HA3 GLY 139 HA3 GLY 139 -30.435 15.504 16.732 1097 H ALA 140 H ALA 140 -27.666 17.720 16.332 1098 HA ALA 140 HA ALA 140 -26.003 15.519 15.455 1099 HB1 ALA 140 HB1 ALA 140 -25.155 17.198 14.266 1100 HB2 ALA 140 HB2 ALA 140 -25.927 18.410 15.290 1101 HB3 ALA 140 HB3 ALA 140 -24.365 17.732 15.749 1102 H ILE 141 H ILE 141 -25.568 18.037 17.950 1103 HA ILE 141 HA ILE 141 -23.827 16.215 19.429 1104 HB ILE 141 HB ILE 141 -23.016 18.497 19.064 1105 HG12 ILE 141 HG12 ILE 141 -23.003 19.045 21.728 1106 HG13 ILE 141 HG13 ILE 141 -23.472 17.349 21.746 1107 HG21 ILE 141 HG21 ILE 141 -24.417 20.214 19.152 1108 HG22 ILE 141 HG22 ILE 141 -25.685 19.181 19.811 1109 HG23 ILE 141 HG23 ILE 141 -24.553 19.989 20.896 1110 HD11 ILE 141 HD11 ILE 141 -21.098 18.296 20.189 1111 HD12 ILE 141 HD12 ILE 141 -20.992 17.909 21.907 1112 HD13 ILE 141 HD13 ILE 141 -21.479 16.669 20.752 1113 H ASN 142 H ASN 142 -27.037 16.811 19.301 1114 HA ASN 142 HA ASN 142 -27.901 17.238 21.896 1115 HB2 ASN 142 HB2 ASN 142 -29.082 16.528 19.455 1116 HB3 ASN 142 HB3 ASN 142 -29.556 15.261 20.582 1117 HD21 ASN 142 HD21 ASN 142 -29.319 18.787 20.350 1118 HD22 ASN 142 HD22 ASN 142 -30.763 19.115 21.239 1119 H SER 143 H SER 143 -29.079 15.514 23.240 1120 HA SER 143 HA SER 143 -29.103 13.529 24.396 1121 HB2 SER 143 HB2 SER 143 -26.801 12.440 22.815 1122 HB3 SER 143 HB3 SER 143 -28.176 11.587 23.516 1123 HG SER 143 HG SER 143 -29.470 12.737 21.907 1124 H LYS 144 H LYS 144 -26.729 11.951 24.978 1125 HA LYS 144 HA LYS 144 -25.798 13.073 27.263 1126 HB2 LYS 144 HB2 LYS 144 -24.153 11.399 25.355 1127 HB3 LYS 144 HB3 LYS 144 -23.811 11.640 27.063 1128 HG2 LYS 144 HG2 LYS 144 -26.198 10.234 25.886 1129 HG3 LYS 144 HG3 LYS 144 -24.842 9.493 26.739 1130 HD2 LYS 144 HD2 LYS 144 -26.104 9.668 28.576 1131 HD3 LYS 144 HD3 LYS 144 -25.735 11.394 28.520 1132 HE2 LYS 144 HE2 LYS 144 -28.130 11.036 28.736 1133 HE3 LYS 144 HE3 LYS 144 -27.751 11.775 27.181 1134 HZ1 LYS 144 HZ1 LYS 144 -29.037 9.302 27.724 1135 HZ2 LYS 144 HZ2 LYS 144 -27.679 9.059 26.746 1136 HZ3 LYS 144 HZ3 LYS 144 -28.892 10.132 26.256 1137 H GLN 145 H GLN 145 -24.208 13.372 24.087 1138 HA GLN 145 HA GLN 145 -22.051 14.913 24.731 1139 HB2 GLN 145 HB2 GLN 145 -23.749 15.504 22.313 1140 HB3 GLN 145 HB3 GLN 145 -22.007 15.672 22.480 1141 HG2 GLN 145 HG2 GLN 145 -23.612 13.147 22.260 1142 HG3 GLN 145 HG3 GLN 145 -22.378 13.758 21.159 1143 HE21 GLN 145 HE21 GLN 145 -22.591 11.192 22.570 1144 HE22 GLN 145 HE22 GLN 145 -21.131 11.036 23.479 1145 H LEU 146 H LEU 146 -25.319 16.118 23.999 1146 HA LEU 146 HA LEU 146 -24.798 18.838 24.319 1147 HB2 LEU 146 HB2 LEU 146 -27.004 17.278 23.763 1148 HB3 LEU 146 HB3 LEU 146 -27.418 18.032 25.301 1149 HG LEU 146 HG LEU 146 -26.861 20.251 24.191 1150 HD11 LEU 146 HD11 LEU 146 -25.892 18.672 22.179 1151 HD12 LEU 146 HD12 LEU 146 -26.296 20.382 22.034 1152 HD13 LEU 146 HD13 LEU 146 -27.469 19.155 21.555 1153 HD21 LEU 146 HD21 LEU 146 -29.077 19.949 22.714 1154 HD22 LEU 146 HD22 LEU 146 -29.099 20.099 24.472 1155 HD23 LEU 146 HD23 LEU 146 -29.197 18.506 23.721 1156 H THR 147 H THR 147 -26.176 16.574 26.707 1157 HA THR 147 HA THR 147 -26.239 18.350 28.861 1158 HB THR 147 HB THR 147 -26.278 16.342 30.313 1159 HG1 THR 147 HG1 THR 147 -26.391 14.313 28.862 1160 HG21 THR 147 HG21 THR 147 -28.214 15.183 28.930 1161 HG22 THR 147 HG22 THR 147 -28.022 16.612 27.914 1162 HG23 THR 147 HG23 THR 147 -28.418 16.791 29.623 1163 H TYR 148 H TYR 148 -23.637 16.372 27.589 1164 HA TYR 148 HA TYR 148 -21.854 16.413 29.707 1165 HB2 TYR 148 HB2 TYR 148 -21.353 15.080 27.789 1166 HB3 TYR 148 HB3 TYR 148 -21.366 16.485 26.728 1167 HD1 TYR 148 HD2 TYR 148 -19.661 15.819 29.988 1168 HD2 TYR 148 HD1 TYR 148 -19.245 16.785 25.865 1169 HE1 TYR 148 HE2 TYR 148 -17.234 16.070 30.298 1170 HE2 TYR 148 HE1 TYR 148 -16.817 17.037 26.163 1171 HH TYR 148 HH TYR 148 -15.323 17.610 28.685 1172 H LEU 149 H LEU 149 -21.814 18.664 26.937 1173 HA LEU 149 HA LEU 149 -20.001 20.464 28.151 1174 HB2 LEU 149 HB2 LEU 149 -21.080 20.126 25.642 1175 HB3 LEU 149 HB3 LEU 149 -21.792 21.647 26.178 1176 HG LEU 149 HG LEU 149 -19.820 22.124 24.907 1177 HD11 LEU 149 HD11 LEU 149 -18.658 22.553 27.570 1178 HD12 LEU 149 HD12 LEU 149 -20.314 23.125 27.371 1179 HD13 LEU 149 HD13 LEU 149 -19.045 23.710 26.295 1180 HD21 LEU 149 HD21 LEU 149 -17.736 21.093 26.526 1181 HD22 LEU 149 HD22 LEU 149 -18.109 20.716 24.844 1182 HD23 LEU 149 HD23 LEU 149 -18.830 19.764 26.143 1183 H GLU 150 H GLU 150 -23.450 20.107 28.294 1184 HA GLU 150 HA GLU 150 -24.207 22.675 29.086 1185 HB2 GLU 150 HB2 GLU 150 -25.537 20.360 28.640 1186 HB3 GLU 150 HB3 GLU 150 -25.599 20.420 30.396 1187 HG2 GLU 150 HG2 GLU 150 -26.631 22.618 30.304 1188 HG3 GLU 150 HG3 GLU 150 -26.538 22.598 28.543 1189 H LYS 151 H LYS 151 -23.094 19.918 31.013 1190 HA LYS 151 HA LYS 151 -23.131 21.560 33.430 1191 HB2 LYS 151 HB2 LYS 151 -23.011 18.649 32.850 1192 HB3 LYS 151 HB3 LYS 151 -22.198 19.203 34.308 1193 HG2 LYS 151 HG2 LYS 151 -24.237 20.129 35.164 1194 HG3 LYS 151 HG3 LYS 151 -25.077 19.785 33.651 1195 HD2 LYS 151 HD2 LYS 151 -23.781 17.464 34.905 1196 HD3 LYS 151 HD3 LYS 151 -25.106 18.168 35.834 1197 HE2 LYS 151 HE2 LYS 151 -26.651 17.419 34.399 1198 HE3 LYS 151 HE3 LYS 151 -25.705 17.902 32.993 1199 HZ1 LYS 151 HZ1 LYS 151 -26.176 15.376 33.614 1200 HZ2 LYS 151 HZ2 LYS 151 -24.736 15.593 34.475 1201 HZ3 LYS 151 HZ3 LYS 151 -24.774 15.871 32.807 1202 H TYR 152 H TYR 152 -20.931 20.155 31.134 1203 HA TYR 152 HA TYR 152 -18.566 20.305 32.666 1204 HB2 TYR 152 HB2 TYR 152 -18.842 19.017 30.533 1205 HB3 TYR 152 HB3 TYR 152 -18.805 20.545 29.662 1206 HD1 TYR 152 HD2 TYR 152 -16.731 21.844 29.517 1207 HD2 TYR 152 HD1 TYR 152 -16.833 18.063 31.466 1208 HE1 TYR 152 HE2 TYR 152 -14.275 21.740 29.432 1209 HE2 TYR 152 HE1 TYR 152 -14.378 17.949 31.388 1210 HH TYR 152 HH TYR 152 -12.448 20.665 30.269 1211 H ARG 153 H ARG 153 -16.885 21.839 32.632 1212 HA ARG 153 HA ARG 153 -17.700 24.533 31.757 1213 HB2 ARG 153 HB2 ARG 153 -17.801 24.629 34.103 1214 HB3 ARG 153 HB3 ARG 153 -16.361 23.638 34.295 1215 HG2 ARG 153 HG2 ARG 153 -16.065 26.252 32.925 1216 HG3 ARG 153 HG3 ARG 153 -16.331 26.253 34.669 1217 HD2 ARG 153 HD2 ARG 153 -14.408 24.266 34.151 1218 HD3 ARG 153 HD3 ARG 153 -13.941 25.673 33.197 1219 HE ARG 153 HE ARG 153 -14.546 26.622 35.716 1220 HH11 ARG 153 HH11 ARG 153 -12.279 24.381 34.315 1221 HH12 ARG 153 HH12 ARG 153 -11.061 24.662 35.514 1222 HH21 ARG 153 HH21 ARG 153 -12.950 26.999 37.301 1223 HH22 ARG 153 HH22 ARG 153 -11.444 26.150 37.213 1224 HA PRO 154 HA PRO 154 -13.998 24.393 29.337 1225 HB2 PRO 154 HB2 PRO 154 -13.936 27.019 28.654 1226 HB3 PRO 154 HB3 PRO 154 -15.059 25.864 27.928 1227 HG2 PRO 154 HG2 PRO 154 -15.531 27.837 30.129 1228 HG3 PRO 154 HG3 PRO 154 -16.566 27.435 28.746 1229 HD2 PRO 154 HD2 PRO 154 -17.001 26.444 31.228 1230 HD3 PRO 154 HD3 PRO 154 -17.389 25.533 29.755 1231 H LYS 155 H LYS 155 -12.082 24.183 30.306 1232 HA LYS 155 HA LYS 155 -11.279 25.953 32.451 1233 HB2 LYS 155 HB2 LYS 155 -9.399 24.477 32.739 1234 HB3 LYS 155 HB3 LYS 155 -10.845 23.500 32.519 1235 HG2 LYS 155 HG2 LYS 155 -9.824 23.845 29.954 1236 HG3 LYS 155 HG3 LYS 155 -8.413 23.562 30.975 1237 HD2 LYS 155 HD2 LYS 155 -10.878 21.822 30.882 1238 HD3 LYS 155 HD3 LYS 155 -9.350 21.471 30.071 1239 HE2 LYS 155 HE2 LYS 155 -8.506 20.597 31.932 1240 HE3 LYS 155 HE3 LYS 155 -8.882 22.060 32.841 1241 HZ1 LYS 155 HZ1 LYS 155 -9.957 20.041 33.727 1242 HZ2 LYS 155 HZ2 LYS 155 -10.832 19.892 32.287 1243 HZ3 LYS 155 HZ3 LYS 155 -11.069 21.238 33.284 1244 H GLN 156 H GLN 156 -11.332 26.401 29.279 1245 HA GLN 156 HA GLN 156 -10.266 27.807 27.844 1246 HB2 GLN 156 HB2 GLN 156 -8.588 28.729 30.171 1247 HB3 GLN 156 HB3 GLN 156 -9.007 29.625 28.717 1248 HG2 GLN 156 HG2 GLN 156 -10.536 30.582 30.038 1249 HG3 GLN 156 HG3 GLN 156 -11.465 29.121 29.708 1250 HE21 GLN 156 HE21 GLN 156 -12.568 29.136 31.629 1251 HE22 GLN 156 HE22 GLN 156 -11.816 28.826 33.153 1252 H ARG 157 H ARG 157 -9.404 25.555 27.244 1253 HA ARG 157 HA ARG 157 -6.552 25.237 27.745 1254 HB2 ARG 157 HB2 ARG 157 -8.512 23.399 27.541 1255 HB3 ARG 157 HB3 ARG 157 -7.955 23.419 25.873 1256 HG2 ARG 157 HG2 ARG 157 -5.677 22.935 26.637 1257 HG3 ARG 157 HG3 ARG 157 -6.258 22.886 28.302 1258 HD2 ARG 157 HD2 ARG 157 -7.970 21.159 27.104 1259 HD3 ARG 157 HD3 ARG 157 -6.512 20.904 26.146 1260 HE ARG 157 HE ARG 157 -6.967 20.033 28.810 1261 HH11 ARG 157 HH11 ARG 157 -4.494 21.222 26.668 1262 HH12 ARG 157 HH12 ARG 157 -3.201 20.439 27.515 1263 HH21 ARG 157 HH21 ARG 157 -5.274 18.997 29.934 1264 HH22 ARG 157 HH22 ARG 157 -3.646 19.173 29.372 1265 H LEU 158 H LEU 158 -8.670 25.308 24.873 1266 HA LEU 158 HA LEU 158 -6.463 25.783 23.105 1267 HB2 LEU 158 HB2 LEU 158 -9.301 25.221 22.887 1268 HB3 LEU 158 HB3 LEU 158 -8.778 26.446 21.732 1269 HG LEU 158 HG LEU 158 -8.797 24.016 20.957 1270 HD11 LEU 158 HD11 LEU 158 -6.102 24.722 20.352 1271 HD12 LEU 158 HD12 LEU 158 -7.086 26.184 20.390 1272 HD13 LEU 158 HD13 LEU 158 -7.538 24.845 19.336 1273 HD21 LEU 158 HD21 LEU 158 -6.160 23.859 22.378 1274 HD22 LEU 158 HD22 LEU 158 -7.083 22.568 21.608 1275 HD23 LEU 158 HD23 LEU 158 -7.647 23.273 23.124 1276 H ARG 159 H ARG 159 -8.797 27.740 24.794 1277 HA ARG 159 HA ARG 159 -7.339 30.109 24.515 1278 HB2 ARG 159 HB2 ARG 159 -8.905 29.499 22.225 1279 HB3 ARG 159 HB3 ARG 159 -9.678 30.847 23.048 1280 HG2 ARG 159 HG2 ARG 159 -8.077 32.279 22.448 1281 HG3 ARG 159 HG3 ARG 159 -6.786 31.134 22.817 1282 HD2 ARG 159 HD2 ARG 159 -7.338 29.955 20.682 1283 HD3 ARG 159 HD3 ARG 159 -8.450 31.271 20.309 1284 HE ARG 159 HE ARG 159 -5.770 32.135 20.900 1285 HH11 ARG 159 HH11 ARG 159 -7.951 31.026 18.424 1286 HH12 ARG 159 HH12 ARG 159 -7.057 31.752 17.129 1287 HH21 ARG 159 HH21 ARG 159 -4.585 33.096 19.204 1288 HH22 ARG 159 HH22 ARG 159 -5.143 32.929 17.574 1289 H PHE 160 H PHE 160 -9.151 32.075 24.765 1290 HA PHE 160 HA PHE 160 -10.377 31.446 27.309 1291 HB2 PHE 160 HB2 PHE 160 -9.167 33.694 26.319 1292 HB3 PHE 160 HB3 PHE 160 -10.871 34.111 26.168 1293 HD1 PHE 160 HD1 PHE 160 -8.809 32.323 28.718 1294 HD2 PHE 160 HD2 PHE 160 -11.605 35.423 27.890 1295 HE1 PHE 160 HE1 PHE 160 -8.874 32.898 31.109 1296 HE2 PHE 160 HE2 PHE 160 -11.674 36.004 30.280 1297 HZ PHE 160 HZ PHE 160 -10.307 34.741 31.893 1298 H LYS 161 H LYS 161 -12.425 30.882 27.583 1299 HA LYS 161 HA LYS 161 -14.323 31.385 25.388 1300 HB2 LYS 161 HB2 LYS 161 -13.759 28.984 26.093 1301 HB3 LYS 161 HB3 LYS 161 -14.670 29.325 27.558 1302 HG2 LYS 161 HG2 LYS 161 -16.024 29.957 25.017 1303 HG3 LYS 161 HG3 LYS 161 -15.746 28.246 25.353 1304 HD2 LYS 161 HD2 LYS 161 -16.668 29.183 27.761 1305 HD3 LYS 161 HD3 LYS 161 -17.601 30.131 26.601 1306 HE2 LYS 161 HE2 LYS 161 -18.571 28.239 25.651 1307 HE3 LYS 161 HE3 LYS 161 -17.324 27.165 26.284 1308 HZ1 LYS 161 HZ1 LYS 161 -18.457 28.259 28.509 1309 HZ2 LYS 161 HZ2 LYS 161 -18.763 26.712 27.897 1310 HZ3 LYS 161 HZ3 LYS 161 -19.779 28.000 27.486 1311 H ASP 162 H ASP 162 -16.518 31.909 25.948 1312 HA ASP 162 HA ASP 162 -18.032 33.269 26.976 1313 HB2 ASP 162 HB2 ASP 162 -18.246 31.300 28.413 1314 HB3 ASP 162 HB3 ASP 162 -16.927 31.880 29.426 Start of MODEL 19 1 H1 MET 1 H MET 1 1.633 -1.226 -1.962 2 HA MET 1 HA MET 1 1.146 -3.737 -2.048 3 HB2 MET 1 HB2 MET 1 -1.067 -2.722 -0.254 4 HB3 MET 1 HB3 MET 1 -0.993 -4.334 -0.953 5 HG2 MET 1 HG2 MET 1 0.039 -4.953 0.907 6 HG3 MET 1 HG3 MET 1 1.442 -4.075 0.303 7 HE1 MET 1 HE1 MET 1 2.437 -2.187 2.831 8 HE2 MET 1 HE2 MET 1 2.467 -2.469 1.090 9 HE3 MET 1 HE3 MET 1 1.751 -0.990 1.732 10 H ALA 2 H ALA 2 -0.107 -0.653 -2.600 11 HA ALA 2 HA ALA 2 -1.009 -1.250 -5.188 12 HB1 ALA 2 HB1 ALA 2 -3.329 -1.263 -5.059 13 HB2 ALA 2 HB2 ALA 2 -2.846 -2.273 -3.696 14 HB3 ALA 2 HB3 ALA 2 -3.341 -0.603 -3.423 15 H ARG 3 H ARG 3 -0.608 0.570 -6.245 16 HA ARG 3 HA ARG 3 -1.114 3.132 -4.880 17 HB2 ARG 3 HB2 ARG 3 1.207 2.188 -6.489 18 HB3 ARG 3 HB3 ARG 3 0.737 3.875 -6.645 19 HG2 ARG 3 HG2 ARG 3 2.192 4.106 -4.938 20 HG3 ARG 3 HG3 ARG 3 0.764 3.699 -3.985 21 HD2 ARG 3 HD2 ARG 3 1.657 1.774 -3.294 22 HD3 ARG 3 HD3 ARG 3 2.172 1.341 -4.923 23 HE ARG 3 HE ARG 3 3.757 2.622 -2.876 24 HH11 ARG 3 HH11 ARG 3 3.412 1.923 -6.269 25 HH12 ARG 3 HH12 ARG 3 5.096 2.134 -6.617 26 HH21 ARG 3 HH21 ARG 3 5.976 2.902 -3.321 27 HH22 ARG 3 HH22 ARG 3 6.554 2.689 -4.939 28 H MET 4 H MET 4 -3.259 3.018 -5.830 29 HA MET 4 HA MET 4 -3.555 4.594 -8.098 30 HB2 MET 4 HB2 MET 4 -4.563 2.810 -9.631 31 HB3 MET 4 HB3 MET 4 -2.810 2.880 -9.522 32 HG2 MET 4 HG2 MET 4 -3.903 1.097 -7.539 33 HG3 MET 4 HG3 MET 4 -4.434 0.657 -9.161 34 HE1 MET 4 HE1 MET 4 -2.786 -0.932 -7.080 35 HE2 MET 4 HE2 MET 4 -2.799 -1.829 -8.599 36 HE3 MET 4 HE3 MET 4 -1.271 -1.512 -7.774 37 H ASN 5 H ASN 5 -5.331 5.612 -7.450 38 HA ASN 5 HA ASN 5 -7.854 4.401 -7.363 39 HB2 ASN 5 HB2 ASN 5 -6.357 4.228 -4.895 40 HB3 ASN 5 HB3 ASN 5 -7.812 5.194 -4.669 41 HD21 ASN 5 HD21 ASN 5 -7.137 2.558 -3.631 42 HD22 ASN 5 HD22 ASN 5 -8.388 1.496 -4.172 43 H ARG 6 H ARG 6 -5.806 7.024 -6.220 44 HA ARG 6 HA ARG 6 -6.076 9.282 -6.202 45 HB2 ARG 6 HB2 ARG 6 -8.421 8.850 -8.051 46 HB3 ARG 6 HB3 ARG 6 -7.421 10.289 -7.902 47 HG2 ARG 6 HG2 ARG 6 -6.309 9.507 -9.661 48 HG3 ARG 6 HG3 ARG 6 -5.595 8.342 -8.544 49 HD2 ARG 6 HD2 ARG 6 -6.838 6.623 -9.332 50 HD3 ARG 6 HD3 ARG 6 -8.244 7.641 -9.638 51 HE ARG 6 HE ARG 6 -6.453 8.425 -11.523 52 HH11 ARG 6 HH11 ARG 6 -7.795 5.355 -10.578 53 HH12 ARG 6 HH12 ARG 6 -7.685 4.671 -12.166 54 HH21 ARG 6 HH21 ARG 6 -6.303 7.537 -13.618 55 HH22 ARG 6 HH22 ARG 6 -6.836 5.913 -13.894 56 HA PRO 7 HA PRO 7 -9.649 8.697 -3.227 57 HB2 PRO 7 HB2 PRO 7 -8.208 9.176 -0.977 58 HB3 PRO 7 HB3 PRO 7 -8.373 7.566 -1.687 59 HG2 PRO 7 HG2 PRO 7 -6.117 9.519 -1.927 60 HG3 PRO 7 HG3 PRO 7 -6.056 7.766 -1.671 61 HD2 PRO 7 HD2 PRO 7 -5.649 8.899 -4.096 62 HD3 PRO 7 HD3 PRO 7 -6.398 7.301 -3.902 63 H ALA 8 H ALA 8 -10.888 10.404 -2.741 64 HA ALA 8 HA ALA 8 -9.601 13.051 -2.572 65 HB1 ALA 8 HB1 ALA 8 -10.901 13.043 -4.537 66 HB2 ALA 8 HB2 ALA 8 -12.253 12.244 -3.734 67 HB3 ALA 8 HB3 ALA 8 -11.857 13.917 -3.339 68 HA PRO 9 HA PRO 9 -11.345 12.432 1.601 69 HB2 PRO 9 HB2 PRO 9 -9.572 14.097 2.809 70 HB3 PRO 9 HB3 PRO 9 -9.206 12.407 2.439 71 HG2 PRO 9 HG2 PRO 9 -8.447 14.883 0.936 72 HG3 PRO 9 HG3 PRO 9 -7.463 13.457 1.312 73 HD2 PRO 9 HD2 PRO 9 -8.611 13.837 -1.111 74 HD3 PRO 9 HD3 PRO 9 -8.366 12.223 -0.413 75 H VAL 10 H VAL 10 -11.448 14.466 3.344 76 HA VAL 10 HA VAL 10 -12.695 16.709 1.901 77 HB VAL 10 HB VAL 10 -13.834 15.098 4.164 78 HG11 VAL 10 HG11 VAL 10 -14.438 17.962 3.469 79 HG12 VAL 10 HG12 VAL 10 -15.566 16.931 4.351 80 HG13 VAL 10 HG13 VAL 10 -13.980 17.293 5.035 81 HG21 VAL 10 HG21 VAL 10 -15.483 16.203 1.978 82 HG22 VAL 10 HG22 VAL 10 -14.303 14.974 1.524 83 HG23 VAL 10 HG23 VAL 10 -15.527 14.614 2.741 84 H GLU 11 H GLU 11 -11.657 18.520 2.382 85 HA GLU 11 HA GLU 11 -10.184 18.729 4.891 86 HB2 GLU 11 HB2 GLU 11 -8.770 19.521 3.285 87 HB3 GLU 11 HB3 GLU 11 -10.080 20.075 2.252 88 HG2 GLU 11 HG2 GLU 11 -9.538 21.492 4.816 89 HG3 GLU 11 HG3 GLU 11 -8.501 21.783 3.421 90 H VAL 12 H VAL 12 -10.693 20.084 6.524 91 HA VAL 12 HA VAL 12 -12.998 21.880 6.145 92 HB VAL 12 HB VAL 12 -13.838 20.048 7.417 93 HG11 VAL 12 HG11 VAL 12 -12.798 19.105 9.330 94 HG12 VAL 12 HG12 VAL 12 -11.554 19.217 8.082 95 HG13 VAL 12 HG13 VAL 12 -11.596 20.394 9.395 96 HG21 VAL 12 HG21 VAL 12 -13.143 22.220 9.389 97 HG22 VAL 12 HG22 VAL 12 -14.424 22.342 8.183 98 HG23 VAL 12 HG23 VAL 12 -14.522 21.123 9.455 99 H SER 13 H SER 13 -12.137 23.863 6.179 100 HA SER 13 HA SER 13 -9.919 24.478 7.960 101 HB2 SER 13 HB2 SER 13 -9.370 25.995 6.402 102 HB3 SER 13 HB3 SER 13 -10.716 25.401 5.430 103 HG SER 13 HG SER 13 -12.043 26.948 6.437 104 H TYR 14 H TYR 14 -10.174 25.345 9.902 105 HA TYR 14 HA TYR 14 -12.803 26.414 10.634 106 HB2 TYR 14 HB2 TYR 14 -11.145 24.640 11.935 107 HB3 TYR 14 HB3 TYR 14 -10.822 26.152 12.776 108 HD1 TYR 14 HD2 TYR 14 -13.797 24.284 11.479 109 HD2 TYR 14 HD1 TYR 14 -12.092 26.551 14.651 110 HE1 TYR 14 HE2 TYR 14 -15.857 23.987 12.790 111 HE2 TYR 14 HE1 TYR 14 -14.147 26.260 15.971 112 HH TYR 14 HH TYR 14 -16.604 24.045 15.082 113 H LYS 15 H LYS 15 -12.038 27.932 12.844 114 HA LYS 15 HA LYS 15 -11.731 30.454 11.863 115 HB2 LYS 15 HB2 LYS 15 -10.845 31.076 14.128 116 HB3 LYS 15 HB3 LYS 15 -12.333 30.140 14.155 117 HG2 LYS 15 HG2 LYS 15 -10.679 28.115 14.388 118 HG3 LYS 15 HG3 LYS 15 -9.586 29.365 14.988 119 HD2 LYS 15 HD2 LYS 15 -12.370 28.902 16.051 120 HD3 LYS 15 HD3 LYS 15 -10.912 28.208 16.764 121 HE2 LYS 15 HE2 LYS 15 -11.547 31.141 16.456 122 HE3 LYS 15 HE3 LYS 15 -11.549 30.218 17.958 123 HZ1 LYS 15 HZ1 LYS 15 -9.516 31.415 17.825 124 HZ2 LYS 15 HZ2 LYS 15 -9.206 30.863 16.257 125 HZ3 LYS 15 HZ3 LYS 15 -9.150 29.785 17.559 126 H HIS 16 H HIS 16 -9.075 28.453 13.154 127 HA HIS 16 HA HIS 16 -7.249 29.746 11.276 128 HB2 HIS 16 HB2 HIS 16 -7.032 29.845 14.264 129 HB3 HIS 16 HB3 HIS 16 -5.569 29.820 13.284 130 HD1 HIS 16 HD1 HIS 16 -6.836 32.231 15.078 131 HD2 HIS 16 HD2 HIS 16 -6.710 31.911 10.938 132 HE1 HIS 16 HE1 HIS 16 -7.005 34.587 14.216 133 H MET 17 H MET 17 -8.475 27.074 11.594 134 HA MET 17 HA MET 17 -5.976 25.530 11.608 135 HB2 MET 17 HB2 MET 17 -8.522 24.364 12.697 136 HB3 MET 17 HB3 MET 17 -6.873 23.791 12.906 137 HG2 MET 17 HG2 MET 17 -7.908 26.364 14.065 138 HG3 MET 17 HG3 MET 17 -7.898 24.828 14.927 139 HE1 MET 17 HE1 MET 17 -4.971 27.973 14.837 140 HE2 MET 17 HE2 MET 17 -6.730 27.851 14.870 141 HE3 MET 17 HE3 MET 17 -5.791 27.446 16.307 142 H ARG 18 H ARG 18 -6.584 23.179 10.749 143 HA ARG 18 HA ARG 18 -8.652 23.088 8.772 144 HB2 ARG 18 HB2 ARG 18 -6.736 24.505 7.771 145 HB3 ARG 18 HB3 ARG 18 -5.859 22.985 7.667 146 HG2 ARG 18 HG2 ARG 18 -7.246 22.135 6.045 147 HG3 ARG 18 HG3 ARG 18 -8.600 23.166 6.514 148 HD2 ARG 18 HD2 ARG 18 -7.933 24.852 5.188 149 HD3 ARG 18 HD3 ARG 18 -6.231 24.622 5.590 150 HE ARG 18 HE ARG 18 -6.740 22.516 3.996 151 HH11 ARG 18 HH11 ARG 18 -7.368 25.924 3.659 152 HH12 ARG 18 HH12 ARG 18 -7.240 25.909 1.931 153 HH21 ARG 18 HH21 ARG 18 -6.569 22.484 1.722 154 HH22 ARG 18 HH22 ARG 18 -6.787 23.952 0.831 155 H PHE 19 H PHE 19 -9.336 21.080 9.099 156 HA PHE 19 HA PHE 19 -7.347 18.957 9.529 157 HB2 PHE 19 HB2 PHE 19 -10.259 19.161 10.299 158 HB3 PHE 19 HB3 PHE 19 -9.345 17.660 10.405 159 HD1 PHE 19 HD1 PHE 19 -8.279 21.127 11.209 160 HD2 PHE 19 HD2 PHE 19 -9.172 17.233 12.677 161 HE1 PHE 19 HE1 PHE 19 -7.469 21.785 13.437 162 HE2 PHE 19 HE2 PHE 19 -8.364 17.884 14.907 163 HZ PHE 19 HZ PHE 19 -7.511 20.163 15.290 164 H LEU 20 H LEU 20 -8.291 16.726 8.784 165 HA LEU 20 HA LEU 20 -9.608 16.983 6.179 166 HB2 LEU 20 HB2 LEU 20 -6.845 16.332 6.620 167 HB3 LEU 20 HB3 LEU 20 -7.679 14.965 5.884 168 HG LEU 20 HG LEU 20 -6.707 16.253 4.134 169 HD11 LEU 20 HD11 LEU 20 -8.544 15.801 2.978 170 HD12 LEU 20 HD12 LEU 20 -9.168 17.386 3.434 171 HD13 LEU 20 HD13 LEU 20 -9.551 15.973 4.416 172 HD21 LEU 20 HD21 LEU 20 -6.615 18.353 5.620 173 HD22 LEU 20 HD22 LEU 20 -8.224 18.696 4.983 174 HD23 LEU 20 HD23 LEU 20 -6.849 18.563 3.885 175 H ILE 21 H ILE 21 -11.420 15.858 6.514 176 HA ILE 21 HA ILE 21 -11.349 13.403 8.089 177 HB ILE 21 HB ILE 21 -13.914 13.530 7.439 178 HG12 ILE 21 HG12 ILE 21 -13.206 15.618 5.980 179 HG13 ILE 21 HG13 ILE 21 -14.742 15.595 6.839 180 HG21 ILE 21 HG21 ILE 21 -13.169 13.594 9.699 181 HG22 ILE 21 HG22 ILE 21 -12.505 15.215 9.498 182 HG23 ILE 21 HG23 ILE 21 -14.251 14.967 9.466 183 HD11 ILE 21 HD11 ILE 21 -13.980 17.061 8.477 184 HD12 ILE 21 HD12 ILE 21 -12.287 16.779 8.072 185 HD13 ILE 21 HD13 ILE 21 -13.313 17.704 6.976 186 H THR 22 H THR 22 -11.011 11.523 7.126 187 HA THR 22 HA THR 22 -10.794 11.075 4.409 188 HB THR 22 HB THR 22 -11.670 8.955 6.371 189 HG1 THR 22 HG1 THR 22 -8.978 9.666 5.823 190 HG21 THR 22 HG21 THR 22 -10.968 8.909 3.627 191 HG22 THR 22 HG22 THR 22 -11.302 7.542 4.690 192 HG23 THR 22 HG23 THR 22 -9.654 8.144 4.521 193 H HIS 23 H HIS 23 -12.414 11.712 3.078 194 HA HIS 23 HA HIS 23 -15.127 11.650 3.480 195 HB2 HIS 23 HB2 HIS 23 -14.210 12.764 1.556 196 HB3 HIS 23 HB3 HIS 23 -13.576 11.250 0.917 197 HD1 HIS 23 HD1 HIS 23 -14.874 11.056 -1.213 198 HD2 HIS 23 HD2 HIS 23 -17.310 11.809 2.067 199 HE1 HIS 23 HE1 HIS 23 -17.231 10.828 -2.060 200 H ASN 24 H ASN 24 -13.298 9.154 1.698 201 HA ASN 24 HA ASN 24 -15.325 7.199 2.565 202 HB2 ASN 24 HB2 ASN 24 -14.156 7.699 -0.138 203 HB3 ASN 24 HB3 ASN 24 -14.552 6.042 0.308 204 HD21 ASN 24 HD21 ASN 24 -16.810 6.264 1.727 205 HD22 ASN 24 HD22 ASN 24 -18.076 6.944 0.767 206 HA PRO 25 HA PRO 25 -12.096 4.646 4.084 207 HB2 PRO 25 HB2 PRO 25 -12.962 2.158 3.429 208 HB3 PRO 25 HB3 PRO 25 -13.712 3.132 4.699 209 HG2 PRO 25 HG2 PRO 25 -14.585 2.716 1.866 210 HG3 PRO 25 HG3 PRO 25 -15.562 2.736 3.347 211 HD2 PRO 25 HD2 PRO 25 -15.405 4.861 1.675 212 HD3 PRO 25 HD3 PRO 25 -15.616 5.039 3.429 213 H THR 26 H THR 26 -10.305 5.176 2.835 214 HA THR 26 HA THR 26 -9.669 3.245 0.720 215 HB THR 26 HB THR 26 -8.617 5.025 -0.639 216 HG1 THR 26 HG1 THR 26 -8.309 6.613 0.946 217 HG21 THR 26 HG21 THR 26 -10.896 6.224 -1.176 218 HG22 THR 26 HG22 THR 26 -11.546 5.015 -0.067 219 HG23 THR 26 HG23 THR 26 -10.680 4.508 -1.518 220 H ASN 27 H ASN 27 -8.783 3.009 3.295 221 HA ASN 27 HA ASN 27 -5.930 3.666 3.013 222 HB2 ASN 27 HB2 ASN 27 -5.727 4.309 5.268 223 HB3 ASN 27 HB3 ASN 27 -7.208 5.094 4.727 224 HD21 ASN 27 HD21 ASN 27 -5.956 3.684 7.281 225 HD22 ASN 27 HD22 ASN 27 -7.343 2.906 7.956 226 H ALA 28 H ALA 28 -7.441 1.245 2.372 227 HA ALA 28 HA ALA 28 -6.894 -0.694 4.416 228 HB1 ALA 28 HB1 ALA 28 -7.688 -2.330 2.828 229 HB2 ALA 28 HB2 ALA 28 -8.762 -0.930 2.817 230 HB3 ALA 28 HB3 ALA 28 -7.590 -1.153 1.518 231 H THR 29 H THR 29 -4.962 0.897 2.216 232 HA THR 29 HA THR 29 -2.975 -1.281 2.257 233 HB THR 29 HB THR 29 -3.430 -1.097 -0.013 234 HG1 THR 29 HG1 THR 29 -1.610 0.042 -0.882 235 HG21 THR 29 HG21 THR 29 -4.939 0.810 0.091 236 HG22 THR 29 HG22 THR 29 -3.754 1.043 -1.194 237 HG23 THR 29 HG23 THR 29 -3.575 1.900 0.336 238 H LEU 30 H LEU 30 -3.666 2.065 2.823 239 HA LEU 30 HA LEU 30 -2.515 3.702 3.905 240 HB2 LEU 30 HB2 LEU 30 -1.980 1.807 5.452 241 HB3 LEU 30 HB3 LEU 30 -0.485 1.573 4.550 242 HG LEU 30 HG LEU 30 -0.332 4.219 5.227 243 HD11 LEU 30 HD11 LEU 30 -2.423 3.641 6.678 244 HD12 LEU 30 HD12 LEU 30 -1.124 4.629 7.346 245 HD13 LEU 30 HD13 LEU 30 -1.230 2.917 7.757 246 HD21 LEU 30 HD21 LEU 30 1.432 2.511 5.375 247 HD22 LEU 30 HD22 LEU 30 0.677 1.874 6.836 248 HD23 LEU 30 HD23 LEU 30 1.343 3.508 6.828 249 H SER 31 H SER 31 -1.716 2.468 1.125 250 HA SER 31 HA SER 31 0.972 3.502 0.817 251 HB2 SER 31 HB2 SER 31 -0.939 1.975 -0.883 252 HB3 SER 31 HB3 SER 31 0.286 2.942 -1.703 253 HG SER 31 HG SER 31 1.118 1.325 0.410 254 H THR 32 H THR 32 -2.044 4.106 -0.990 255 HA THR 32 HA THR 32 -1.113 6.660 -1.897 256 HB THR 32 HB THR 32 -3.849 5.386 -2.091 257 HG1 THR 32 HG1 THR 32 -3.099 4.505 -3.877 258 HG21 THR 32 HG21 THR 32 -2.733 7.907 -3.313 259 HG22 THR 32 HG22 THR 32 -4.162 7.738 -2.293 260 HG23 THR 32 HG23 THR 32 -4.165 7.084 -3.930 261 H PHE 33 H PHE 33 -2.834 5.525 0.848 262 HA PHE 33 HA PHE 33 -4.392 7.745 1.507 263 HB2 PHE 33 HB2 PHE 33 -4.869 5.955 2.868 264 HB3 PHE 33 HB3 PHE 33 -3.177 5.496 3.036 265 HD1 PHE 33 HD1 PHE 33 -5.355 8.403 3.905 266 HD2 PHE 33 HD2 PHE 33 -2.277 5.728 5.125 267 HE1 PHE 33 HE1 PHE 33 -5.283 9.495 6.108 268 HE2 PHE 33 HE2 PHE 33 -2.202 6.815 7.330 269 HZ PHE 33 HZ PHE 33 -3.706 8.701 7.825 270 H ILE 34 H ILE 34 -1.060 6.967 2.485 271 HA ILE 34 HA ILE 34 -0.556 9.202 4.050 272 HB ILE 34 HB ILE 34 1.433 7.806 2.257 273 HG12 ILE 34 HG12 ILE 34 0.898 7.215 5.164 274 HG13 ILE 34 HG13 ILE 34 0.061 6.363 3.871 275 HG21 ILE 34 HG21 ILE 34 2.955 9.185 3.094 276 HG22 ILE 34 HG22 ILE 34 1.686 10.047 3.962 277 HG23 ILE 34 HG23 ILE 34 2.520 8.698 4.732 278 HD11 ILE 34 HD11 ILE 34 2.121 5.264 4.878 279 HD12 ILE 34 HD12 ILE 34 2.025 5.350 3.119 280 HD13 ILE 34 HD13 ILE 34 3.051 6.480 4.002 281 H GLU 35 H GLU 35 -0.255 8.795 0.548 282 HA GLU 35 HA GLU 35 0.906 11.323 0.036 283 HB2 GLU 35 HB2 GLU 35 -0.836 9.823 -1.908 284 HB3 GLU 35 HB3 GLU 35 0.524 10.881 -2.256 285 HG2 GLU 35 HG2 GLU 35 1.580 8.858 -0.664 286 HG3 GLU 35 HG3 GLU 35 0.478 8.044 -1.773 287 H ASP 36 H ASP 36 -2.397 10.225 0.394 288 HA ASP 36 HA ASP 36 -3.726 12.427 -0.723 289 HB2 ASP 36 HB2 ASP 36 -4.495 10.063 0.455 290 HB3 ASP 36 HB3 ASP 36 -5.044 11.262 1.622 291 H LEU 37 H LEU 37 -2.908 11.774 2.685 292 HA LEU 37 HA LEU 37 -3.757 14.350 3.570 293 HB2 LEU 37 HB2 LEU 37 -2.815 13.726 5.704 294 HB3 LEU 37 HB3 LEU 37 -3.745 12.388 5.034 295 HG LEU 37 HG LEU 37 -1.378 11.593 4.198 296 HD11 LEU 37 HD11 LEU 37 -0.644 13.876 5.578 297 HD12 LEU 37 HD12 LEU 37 0.421 12.566 5.069 298 HD13 LEU 37 HD13 LEU 37 -0.269 12.561 6.692 299 HD21 LEU 37 HD21 LEU 37 -2.870 11.217 6.697 300 HD22 LEU 37 HD22 LEU 37 -1.179 10.722 6.762 301 HD23 LEU 37 HD23 LEU 37 -2.256 10.028 5.548 302 H LYS 38 H LYS 38 -0.855 13.097 2.215 303 HA LYS 38 HA LYS 38 0.865 15.171 3.236 304 HB2 LYS 38 HB2 LYS 38 1.161 12.839 1.415 305 HB3 LYS 38 HB3 LYS 38 2.313 14.154 1.231 306 HG2 LYS 38 HG2 LYS 38 2.513 13.891 3.845 307 HG3 LYS 38 HG3 LYS 38 1.931 12.263 3.489 308 HD2 LYS 38 HD2 LYS 38 4.238 13.481 1.999 309 HD3 LYS 38 HD3 LYS 38 4.464 12.638 3.533 310 HE2 LYS 38 HE2 LYS 38 4.371 10.666 2.515 311 HE3 LYS 38 HE3 LYS 38 2.811 11.067 1.798 312 HZ1 LYS 38 HZ1 LYS 38 5.511 11.511 0.683 313 HZ2 LYS 38 HZ2 LYS 38 4.170 12.365 0.105 314 HZ3 LYS 38 HZ3 LYS 38 4.210 10.677 -0.005 315 H LYS 39 H LYS 39 -0.919 14.525 0.275 316 HA LYS 39 HA LYS 39 0.206 16.722 -1.177 317 HB2 LYS 39 HB2 LYS 39 -1.434 16.211 -2.873 318 HB3 LYS 39 HB3 LYS 39 -0.751 14.706 -2.271 319 HG2 LYS 39 HG2 LYS 39 -2.710 14.272 -0.959 320 HG3 LYS 39 HG3 LYS 39 -3.379 15.856 -1.359 321 HD2 LYS 39 HD2 LYS 39 -4.496 14.398 -2.800 322 HD3 LYS 39 HD3 LYS 39 -3.215 15.081 -3.804 323 HE2 LYS 39 HE2 LYS 39 -1.964 12.915 -2.747 324 HE3 LYS 39 HE3 LYS 39 -3.622 12.327 -2.860 325 HZ1 LYS 39 HZ1 LYS 39 -2.344 13.664 -5.158 326 HZ2 LYS 39 HZ2 LYS 39 -3.642 12.580 -5.147 327 HZ3 LYS 39 HZ3 LYS 39 -2.071 12.021 -4.861 328 H TYR 40 H TYR 40 -2.660 16.213 0.793 329 HA TYR 40 HA TYR 40 -3.929 18.669 0.125 330 HB2 TYR 40 HB2 TYR 40 -4.341 16.503 2.098 331 HB3 TYR 40 HB3 TYR 40 -4.983 18.080 2.545 332 HD1 TYR 40 HD2 TYR 40 -4.997 15.615 -0.252 333 HD2 TYR 40 HD1 TYR 40 -7.073 18.734 1.764 334 HE1 TYR 40 HE2 TYR 40 -6.971 15.203 -1.660 335 HE2 TYR 40 HE1 TYR 40 -9.054 18.329 0.362 336 HH TYR 40 HH TYR 40 -9.066 16.822 -2.412 337 H GLY 41 H GLY 41 -1.168 18.004 1.889 338 HA2 GLY 41 HA2 GLY 41 0.239 19.537 2.931 339 HA3 GLY 41 HA3 GLY 41 -1.053 20.726 2.867 340 H ALA 42 H ALA 42 -1.423 17.514 4.226 341 HA ALA 42 HA ALA 42 -1.904 18.759 6.844 342 HB1 ALA 42 HB1 ALA 42 -3.100 16.612 7.355 343 HB2 ALA 42 HB2 ALA 42 -3.824 17.587 6.076 344 HB3 ALA 42 HB3 ALA 42 -2.869 16.162 5.665 345 H THR 43 H THR 43 -0.449 18.490 8.393 346 HA THR 43 HA THR 43 1.646 16.483 8.057 347 HB THR 43 HB THR 43 2.819 17.652 9.864 348 HG1 THR 43 HG1 THR 43 1.089 18.401 11.096 349 HG21 THR 43 HG21 THR 43 2.372 18.598 7.308 350 HG22 THR 43 HG22 THR 43 3.620 19.163 8.418 351 HG23 THR 43 HG23 THR 43 2.076 20.009 8.323 352 H THR 44 H THR 44 -1.064 15.711 8.843 353 HA THR 44 HA THR 44 -0.353 14.277 11.293 354 HB THR 44 HB THR 44 -3.089 14.799 11.585 355 HG1 THR 44 HG1 THR 44 -1.639 17.195 11.040 356 HG21 THR 44 HG21 THR 44 -0.920 16.289 13.039 357 HG22 THR 44 HG22 THR 44 -1.186 14.563 13.284 358 HG23 THR 44 HG23 THR 44 -2.468 15.715 13.657 359 H VAL 45 H VAL 45 -1.204 12.233 11.446 360 HA VAL 45 HA VAL 45 -2.362 11.165 9.002 361 HB VAL 45 HB VAL 45 -1.778 9.504 11.426 362 HG11 VAL 45 HG11 VAL 45 -1.038 7.934 9.545 363 HG12 VAL 45 HG12 VAL 45 -2.765 8.259 9.705 364 HG13 VAL 45 HG13 VAL 45 -1.825 9.075 8.455 365 HG21 VAL 45 HG21 VAL 45 0.264 10.553 9.471 366 HG22 VAL 45 HG22 VAL 45 0.192 10.883 11.202 367 HG23 VAL 45 HG23 VAL 45 0.551 9.254 10.628 368 H VAL 46 H VAL 46 -4.345 10.180 8.835 369 HA VAL 46 HA VAL 46 -6.368 11.055 10.657 370 HB VAL 46 HB VAL 46 -7.948 10.136 9.181 371 HG11 VAL 46 HG11 VAL 46 -7.018 10.721 6.876 372 HG12 VAL 46 HG12 VAL 46 -6.980 11.984 8.108 373 HG13 VAL 46 HG13 VAL 46 -5.511 11.092 7.711 374 HG21 VAL 46 HG21 VAL 46 -6.809 8.607 7.257 375 HG22 VAL 46 HG22 VAL 46 -5.833 8.162 8.657 376 HG23 VAL 46 HG23 VAL 46 -7.584 7.965 8.705 377 H ARG 47 H ARG 47 -4.547 9.517 12.068 378 HA ARG 47 HA ARG 47 -5.422 6.814 12.347 379 HB2 ARG 47 HB2 ARG 47 -3.500 8.605 13.730 380 HB3 ARG 47 HB3 ARG 47 -4.111 7.237 14.650 381 HG2 ARG 47 HG2 ARG 47 -3.362 5.729 12.850 382 HG3 ARG 47 HG3 ARG 47 -2.683 7.120 12.003 383 HD2 ARG 47 HD2 ARG 47 -0.992 7.401 13.537 384 HD3 ARG 47 HD3 ARG 47 -1.899 6.626 14.835 385 HE ARG 47 HE ARG 47 -0.924 4.659 14.241 386 HH11 ARG 47 HH11 ARG 47 -0.849 6.795 11.493 387 HH12 ARG 47 HH12 ARG 47 0.054 5.698 10.500 388 HH21 ARG 47 HH21 ARG 47 0.265 3.206 12.944 389 HH22 ARG 47 HH22 ARG 47 0.686 3.657 11.327 390 H VAL 48 H VAL 48 -7.043 9.523 13.005 391 HA VAL 48 HA VAL 48 -7.971 9.136 15.658 392 HB VAL 48 HB VAL 48 -9.444 10.533 13.424 393 HG11 VAL 48 HG11 VAL 48 -10.008 10.093 16.189 394 HG12 VAL 48 HG12 VAL 48 -9.749 11.817 15.915 395 HG13 VAL 48 HG13 VAL 48 -10.968 10.948 14.982 396 HG21 VAL 48 HG21 VAL 48 -7.083 11.354 15.041 397 HG22 VAL 48 HG22 VAL 48 -7.460 11.680 13.350 398 HG23 VAL 48 HG23 VAL 48 -8.290 12.571 14.626 399 H CYS 49 H CYS 49 -8.362 6.813 15.584 400 HA CYS 49 HA CYS 49 -11.029 6.125 15.548 401 HB2 CYS 49 HB2 CYS 49 -9.999 6.265 12.904 402 HB3 CYS 49 HB3 CYS 49 -10.255 4.565 13.278 403 HG CYS 49 HG CYS 49 -12.576 7.063 13.200 404 H GLU 50 H GLU 50 -10.998 3.463 14.761 405 HA GLU 50 HA GLU 50 -9.589 2.281 16.933 406 HB2 GLU 50 HB2 GLU 50 -11.794 1.504 15.918 407 HB3 GLU 50 HB3 GLU 50 -10.837 0.800 14.622 408 HG2 GLU 50 HG2 GLU 50 -11.235 -0.956 16.107 409 HG3 GLU 50 HG3 GLU 50 -9.578 -0.452 16.434 410 H VAL 51 H VAL 51 -7.442 3.121 16.223 411 HA VAL 51 HA VAL 51 -6.177 1.874 13.962 412 HB VAL 51 HB VAL 51 -5.315 3.777 16.086 413 HG11 VAL 51 HG11 VAL 51 -3.456 2.044 14.477 414 HG12 VAL 51 HG12 VAL 51 -2.963 3.589 15.173 415 HG13 VAL 51 HG13 VAL 51 -3.494 2.276 16.224 416 HG21 VAL 51 HG21 VAL 51 -4.848 3.779 13.110 417 HG22 VAL 51 HG22 VAL 51 -6.277 4.469 13.880 418 HG23 VAL 51 HG23 VAL 51 -4.681 5.135 14.226 419 H THR 52 H THR 52 -4.717 0.213 13.941 420 HA THR 52 HA THR 52 -3.871 -1.017 16.434 421 HB THR 52 HB THR 52 -4.697 -3.228 15.904 422 HG1 THR 52 HG1 THR 52 -5.571 -1.959 13.531 423 HG21 THR 52 HG21 THR 52 -6.913 -1.186 15.685 424 HG22 THR 52 HG22 THR 52 -6.187 -1.764 17.185 425 HG23 THR 52 HG23 THR 52 -7.105 -2.871 16.165 426 H TYR 53 H TYR 53 -2.486 0.339 14.327 427 HA TYR 53 HA TYR 53 -0.589 -1.758 13.640 428 HB2 TYR 53 HB2 TYR 53 -1.391 -1.922 11.542 429 HB3 TYR 53 HB3 TYR 53 -2.346 -0.452 11.697 430 HD1 TYR 53 HD1 TYR 53 0.984 -1.788 10.838 431 HD2 TYR 53 HD2 TYR 53 -1.541 1.637 10.866 432 HE1 TYR 53 HE1 TYR 53 2.578 -0.609 9.383 433 HE2 TYR 53 HE2 TYR 53 0.046 2.825 9.411 434 HH TYR 53 HH TYR 53 2.134 2.787 8.545 435 H ASP 54 H ASP 54 1.400 -1.071 14.052 436 HA ASP 54 HA ASP 54 2.049 1.396 15.086 437 HB2 ASP 54 HB2 ASP 54 3.611 -0.825 13.872 438 HB3 ASP 54 HB3 ASP 54 4.437 0.716 14.085 439 H LYS 55 H LYS 55 3.694 2.952 14.107 440 HA LYS 55 HA LYS 55 2.801 3.658 11.390 441 HB2 LYS 55 HB2 LYS 55 3.775 5.980 12.212 442 HB3 LYS 55 HB3 LYS 55 2.135 5.482 12.606 443 HG2 LYS 55 HG2 LYS 55 4.309 4.752 14.493 444 HG3 LYS 55 HG3 LYS 55 3.778 6.435 14.433 445 HD2 LYS 55 HD2 LYS 55 1.873 5.969 15.505 446 HD3 LYS 55 HD3 LYS 55 1.550 4.567 14.482 447 HE2 LYS 55 HE2 LYS 55 2.839 3.147 15.851 448 HE3 LYS 55 HE3 LYS 55 3.587 4.504 16.691 449 HZ1 LYS 55 HZ1 LYS 55 0.717 3.758 16.866 450 HZ2 LYS 55 HZ2 LYS 55 1.469 5.019 17.705 451 HZ3 LYS 55 HZ3 LYS 55 1.888 3.415 18.038 452 H THR 56 H THR 56 4.299 2.883 10.023 453 HA THR 56 HA THR 56 7.136 3.179 10.686 454 HB THR 56 HB THR 56 7.415 1.230 9.648 455 HG1 THR 56 HG1 THR 56 7.270 1.156 7.453 456 HG21 THR 56 HG21 THR 56 4.492 1.352 8.896 457 HG22 THR 56 HG22 THR 56 5.122 0.767 10.436 458 HG23 THR 56 HG23 THR 56 5.502 -0.092 8.944 459 HA PRO 57 HA PRO 57 6.847 5.307 6.355 460 HB2 PRO 57 HB2 PRO 57 4.364 5.743 5.347 461 HB3 PRO 57 HB3 PRO 57 5.280 4.263 5.037 462 HG2 PRO 57 HG2 PRO 57 3.093 4.756 7.020 463 HG3 PRO 57 HG3 PRO 57 3.348 3.357 5.961 464 HD2 PRO 57 HD2 PRO 57 4.024 3.341 8.583 465 HD3 PRO 57 HD3 PRO 57 4.928 2.428 7.358 466 H LEU 58 H LEU 58 3.625 6.255 7.515 467 HA LEU 58 HA LEU 58 3.943 8.973 7.324 468 HB2 LEU 58 HB2 LEU 58 2.079 9.210 8.791 469 HB3 LEU 58 HB3 LEU 58 1.824 7.775 7.800 470 HG LEU 58 HG LEU 58 1.079 7.282 10.007 471 HD11 LEU 58 HD11 LEU 58 2.282 5.327 10.457 472 HD12 LEU 58 HD12 LEU 58 3.796 6.016 9.870 473 HD13 LEU 58 HD13 LEU 58 2.515 5.602 8.730 474 HD21 LEU 58 HD21 LEU 58 2.873 9.122 10.867 475 HD22 LEU 58 HD22 LEU 58 3.675 7.624 11.341 476 HD23 LEU 58 HD23 LEU 58 2.044 7.972 11.916 477 H GLU 59 H GLU 59 5.390 6.853 9.584 478 HA GLU 59 HA GLU 59 5.840 8.754 11.670 479 HB2 GLU 59 HB2 GLU 59 5.897 6.491 12.333 480 HB3 GLU 59 HB3 GLU 59 6.990 6.049 11.029 481 HG2 GLU 59 HG2 GLU 59 8.149 6.041 13.147 482 HG3 GLU 59 HG3 GLU 59 8.785 7.311 12.103 483 H LYS 60 H LYS 60 7.987 7.304 9.221 484 HA LYS 60 HA LYS 60 10.160 9.047 9.806 485 HB2 LYS 60 HB2 LYS 60 9.692 7.450 7.284 486 HB3 LYS 60 HB3 LYS 60 11.228 8.081 7.861 487 HG2 LYS 60 HG2 LYS 60 9.576 5.891 9.094 488 HG3 LYS 60 HG3 LYS 60 11.156 5.744 8.322 489 HD2 LYS 60 HD2 LYS 60 12.164 7.084 10.083 490 HD3 LYS 60 HD3 LYS 60 10.585 7.314 10.836 491 HE2 LYS 60 HE2 LYS 60 10.553 4.692 10.836 492 HE3 LYS 60 HE3 LYS 60 12.303 4.877 10.717 493 HZ1 LYS 60 HZ1 LYS 60 11.629 6.605 12.690 494 HZ2 LYS 60 HZ2 LYS 60 12.236 5.043 12.924 495 HZ3 LYS 60 HZ3 LYS 60 10.567 5.316 12.962 496 H ASP 61 H ASP 61 7.304 9.386 7.971 497 HA ASP 61 HA ASP 61 8.280 11.328 6.105 498 HB2 ASP 61 HB2 ASP 61 5.806 9.935 6.608 499 HB3 ASP 61 HB3 ASP 61 5.498 11.656 6.392 500 H GLY 62 H GLY 62 7.858 11.464 9.367 501 HA2 GLY 62 HA2 GLY 62 7.952 13.239 10.831 502 HA3 GLY 62 HA3 GLY 62 8.107 14.304 9.442 503 H ILE 63 H ILE 63 5.419 12.113 9.719 504 HA ILE 63 HA ILE 63 3.630 14.421 9.954 505 HB ILE 63 HB ILE 63 3.093 11.576 9.103 506 HG12 ILE 63 HG12 ILE 63 2.623 14.010 7.426 507 HG13 ILE 63 HG13 ILE 63 4.264 13.395 7.599 508 HG21 ILE 63 HG21 ILE 63 1.172 13.889 9.320 509 HG22 ILE 63 HG22 ILE 63 0.811 12.318 8.608 510 HG23 ILE 63 HG23 ILE 63 1.179 12.443 10.328 511 HD11 ILE 63 HD11 ILE 63 1.886 11.922 6.495 512 HD12 ILE 63 HD12 ILE 63 3.297 12.497 5.607 513 HD13 ILE 63 HD13 ILE 63 3.467 11.197 6.786 514 H THR 64 H THR 64 2.394 14.776 11.693 515 HA THR 64 HA THR 64 2.855 13.412 14.111 516 HB THR 64 HB THR 64 0.746 15.393 13.276 517 HG1 THR 64 HG1 THR 64 2.928 15.526 15.110 518 HG21 THR 64 HG21 THR 64 -0.321 14.002 14.935 519 HG22 THR 64 HG22 THR 64 0.128 15.536 15.681 520 HG23 THR 64 HG23 THR 64 1.098 14.093 15.978 521 H VAL 65 H VAL 65 1.998 11.619 14.936 522 HA VAL 65 HA VAL 65 -0.026 10.186 13.454 523 HB VAL 65 HB VAL 65 1.489 8.660 14.231 524 HG11 VAL 65 HG11 VAL 65 2.965 10.004 15.457 525 HG12 VAL 65 HG12 VAL 65 1.736 10.412 16.656 526 HG13 VAL 65 HG13 VAL 65 2.417 8.786 16.609 527 HG21 VAL 65 HG21 VAL 65 -0.011 8.511 16.777 528 HG22 VAL 65 HG22 VAL 65 -0.956 8.435 15.290 529 HG23 VAL 65 HG23 VAL 65 0.324 7.258 15.582 530 H VAL 66 H VAL 66 -2.076 10.815 13.699 531 HA VAL 66 HA VAL 66 -3.018 11.658 16.344 532 HB VAL 66 HB VAL 66 -4.604 11.800 13.790 533 HG11 VAL 66 HG11 VAL 66 -4.742 13.610 16.182 534 HG12 VAL 66 HG12 VAL 66 -5.945 13.361 14.915 535 HG13 VAL 66 HG13 VAL 66 -5.641 12.095 16.106 536 HG21 VAL 66 HG21 VAL 66 -3.817 14.124 13.558 537 HG22 VAL 66 HG22 VAL 66 -2.672 13.851 14.872 538 HG23 VAL 66 HG23 VAL 66 -2.515 12.951 13.363 539 H ASP 67 H ASP 67 -3.129 9.567 17.273 540 HA ASP 67 HA ASP 67 -5.220 7.820 16.157 541 HB2 ASP 67 HB2 ASP 67 -4.126 6.141 17.832 542 HB3 ASP 67 HB3 ASP 67 -3.328 6.481 16.299 543 H TRP 68 H TRP 68 -7.121 8.140 17.099 544 HA TRP 68 HA TRP 68 -7.225 8.268 20.027 545 HB2 TRP 68 HB2 TRP 68 -8.884 10.066 18.252 546 HB3 TRP 68 HB3 TRP 68 -8.815 10.076 20.012 547 HD1 TRP 68 HD1 TRP 68 -7.706 12.141 17.354 548 HE1 TRP 68 HE1 TRP 68 -5.563 13.447 17.927 549 HE3 TRP 68 HE3 TRP 68 -6.162 9.433 21.407 550 HZ2 TRP 68 HZ2 TRP 68 -3.493 13.344 19.842 551 HZ3 TRP 68 HZ3 TRP 68 -4.090 10.102 22.552 552 HH2 TRP 68 HH2 TRP 68 -2.784 12.017 21.784 553 HA PRO 69 HA PRO 69 -10.250 5.111 19.324 554 HB2 PRO 69 HB2 PRO 69 -11.146 4.933 21.881 555 HB3 PRO 69 HB3 PRO 69 -9.597 4.261 21.356 556 HG2 PRO 69 HG2 PRO 69 -10.163 6.842 22.765 557 HG3 PRO 69 HG3 PRO 69 -8.873 5.662 23.066 558 HD2 PRO 69 HD2 PRO 69 -8.460 7.950 21.677 559 HD3 PRO 69 HD3 PRO 69 -7.576 6.450 21.331 560 H PHE 70 H PHE 70 -11.208 7.346 18.262 561 HA PHE 70 HA PHE 70 -13.719 7.961 19.659 562 HB2 PHE 70 HB2 PHE 70 -11.855 9.572 18.218 563 HB3 PHE 70 HB3 PHE 70 -13.389 9.598 17.353 564 HD1 PHE 70 HD2 PHE 70 -15.383 9.527 19.417 565 HD2 PHE 70 HD1 PHE 70 -11.637 11.545 19.371 566 HE1 PHE 70 HE2 PHE 70 -16.258 11.178 21.018 567 HE2 PHE 70 HE1 PHE 70 -12.504 13.200 20.972 568 HZ PHE 70 HZ PHE 70 -14.818 13.018 21.797 569 H ASP 71 H ASP 71 -12.622 5.853 17.448 570 HA ASP 71 HA ASP 71 -14.177 5.963 15.200 571 HB2 ASP 71 HB2 ASP 71 -12.445 4.214 15.794 572 HB3 ASP 71 HB3 ASP 71 -13.696 3.407 16.736 573 H ASP 72 H ASP 72 -15.094 4.441 18.288 574 HA ASP 72 HA ASP 72 -17.785 5.292 18.121 575 HB2 ASP 72 HB2 ASP 72 -18.676 2.842 17.967 576 HB3 ASP 72 HB3 ASP 72 -18.284 3.718 16.489 577 H GLY 73 H GLY 73 -17.162 5.902 20.250 578 HA2 GLY 73 HA2 GLY 73 -18.122 4.512 22.339 579 HA3 GLY 73 HA3 GLY 73 -16.515 3.823 22.167 580 H ALA 74 H ALA 74 -14.823 4.858 23.051 581 HA ALA 74 HA ALA 74 -13.611 6.407 24.200 582 HB1 ALA 74 HB1 ALA 74 -13.564 8.232 22.936 583 HB2 ALA 74 HB2 ALA 74 -15.208 7.946 22.363 584 HB3 ALA 74 HB3 ALA 74 -14.938 8.838 23.861 585 HA PRO 75 HA PRO 75 -15.498 6.972 28.121 586 HB2 PRO 75 HB2 PRO 75 -14.232 9.168 29.094 587 HB3 PRO 75 HB3 PRO 75 -13.439 7.597 28.928 588 HG2 PRO 75 HG2 PRO 75 -13.310 9.983 27.126 589 HG3 PRO 75 HG3 PRO 75 -12.002 8.912 27.659 590 HD2 PRO 75 HD2 PRO 75 -13.164 8.691 25.223 591 HD3 PRO 75 HD3 PRO 75 -12.528 7.290 26.109 592 HA PRO 76 HA PRO 76 -18.860 9.799 27.431 593 HB2 PRO 76 HB2 PRO 76 -20.158 9.322 29.767 594 HB3 PRO 76 HB3 PRO 76 -20.192 8.199 28.402 595 HG2 PRO 76 HG2 PRO 76 -18.514 8.118 30.880 596 HG3 PRO 76 HG3 PRO 76 -19.365 6.795 30.061 597 HD2 PRO 76 HD2 PRO 76 -16.706 7.215 29.773 598 HD3 PRO 76 HD3 PRO 76 -17.714 6.547 28.473 599 HA PRO 77 HA PRO 77 -17.666 12.254 31.490 600 HB2 PRO 77 HB2 PRO 77 -15.092 11.856 32.256 601 HB3 PRO 77 HB3 PRO 77 -16.441 10.908 32.893 602 HG2 PRO 77 HG2 PRO 77 -14.489 10.211 30.733 603 HG3 PRO 77 HG3 PRO 77 -15.106 9.200 32.053 604 HD2 PRO 77 HD2 PRO 77 -16.059 9.037 29.524 605 HD3 PRO 77 HD3 PRO 77 -17.076 8.742 30.949 606 H GLY 78 H GLY 78 -15.949 11.685 28.602 607 HA2 GLY 78 HA2 GLY 78 -15.153 13.243 27.080 608 HA3 GLY 78 HA3 GLY 78 -15.458 14.507 28.263 609 H LYS 79 H LYS 79 -13.379 11.611 28.220 610 HA LYS 79 HA LYS 79 -11.228 13.143 29.422 611 HB2 LYS 79 HB2 LYS 79 -11.987 10.612 29.818 612 HB3 LYS 79 HB3 LYS 79 -10.822 10.333 28.532 613 HG2 LYS 79 HG2 LYS 79 -9.536 12.054 30.304 614 HG3 LYS 79 HG3 LYS 79 -10.381 10.886 31.322 615 HD2 LYS 79 HD2 LYS 79 -8.384 9.799 30.951 616 HD3 LYS 79 HD3 LYS 79 -9.379 9.144 29.648 617 HE2 LYS 79 HE2 LYS 79 -7.258 9.739 28.725 618 HE3 LYS 79 HE3 LYS 79 -8.444 10.910 28.152 619 HZ1 LYS 79 HZ1 LYS 79 -7.104 11.646 30.604 620 HZ2 LYS 79 HZ2 LYS 79 -7.437 12.576 29.231 621 HZ3 LYS 79 HZ3 LYS 79 -6.088 11.555 29.254 622 H VAL 80 H VAL 80 -12.123 11.868 26.317 623 HA VAL 80 HA VAL 80 -9.616 11.855 25.057 624 HB VAL 80 HB VAL 80 -12.343 12.374 23.864 625 HG11 VAL 80 HG11 VAL 80 -9.642 12.043 22.641 626 HG12 VAL 80 HG12 VAL 80 -11.060 11.425 21.792 627 HG13 VAL 80 HG13 VAL 80 -10.951 13.138 22.198 628 HG21 VAL 80 HG21 VAL 80 -11.870 10.175 25.080 629 HG22 VAL 80 HG22 VAL 80 -12.482 10.075 23.429 630 HG23 VAL 80 HG23 VAL 80 -10.767 9.821 23.750 631 H VAL 81 H VAL 81 -11.720 14.451 25.951 632 HA VAL 81 HA VAL 81 -11.214 16.487 24.246 633 HB VAL 81 HB VAL 81 -11.402 18.055 26.091 634 HG11 VAL 81 HG11 VAL 81 -13.164 15.680 26.663 635 HG12 VAL 81 HG12 VAL 81 -13.529 17.384 26.940 636 HG13 VAL 81 HG13 VAL 81 -13.395 16.766 25.293 637 HG21 VAL 81 HG21 VAL 81 -10.760 15.649 27.770 638 HG22 VAL 81 HG22 VAL 81 -9.958 17.220 27.744 639 HG23 VAL 81 HG23 VAL 81 -11.571 17.065 28.439 640 H GLU 82 H GLU 82 -9.030 15.393 26.823 641 HA GLU 82 HA GLU 82 -7.038 17.287 26.602 642 HB2 GLU 82 HB2 GLU 82 -7.218 14.523 27.571 643 HB3 GLU 82 HB3 GLU 82 -5.604 14.990 27.053 644 HG2 GLU 82 HG2 GLU 82 -5.758 16.966 28.546 645 HG3 GLU 82 HG3 GLU 82 -7.300 16.347 29.134 646 H ASP 83 H ASP 83 -7.403 14.283 24.745 647 HA ASP 83 HA ASP 83 -5.063 14.643 23.185 648 HB2 ASP 83 HB2 ASP 83 -7.532 13.045 22.477 649 HB3 ASP 83 HB3 ASP 83 -5.917 12.843 21.803 650 H TRP 84 H TRP 84 -8.418 15.607 22.782 651 HA TRP 84 HA TRP 84 -8.450 16.318 20.112 652 HB2 TRP 84 HB2 TRP 84 -10.176 16.596 22.252 653 HB3 TRP 84 HB3 TRP 84 -9.823 18.264 21.809 654 HD1 TRP 84 HD1 TRP 84 -12.417 15.975 21.194 655 HE1 TRP 84 HE1 TRP 84 -13.515 16.270 18.885 656 HE3 TRP 84 HE3 TRP 84 -8.784 18.761 18.918 657 HZ2 TRP 84 HZ2 TRP 84 -12.920 17.519 16.424 658 HZ3 TRP 84 HZ3 TRP 84 -9.126 19.464 16.586 659 HH2 TRP 84 HH2 TRP 84 -11.151 18.855 15.366 660 H LEU 85 H LEU 85 -7.996 18.665 22.762 661 HA LEU 85 HA LEU 85 -7.070 20.745 21.152 662 HB2 LEU 85 HB2 LEU 85 -6.382 20.214 24.038 663 HB3 LEU 85 HB3 LEU 85 -6.242 21.759 23.203 664 HG LEU 85 HG LEU 85 -8.233 22.213 24.109 665 HD11 LEU 85 HD11 LEU 85 -8.705 21.619 21.669 666 HD12 LEU 85 HD12 LEU 85 -10.081 21.717 22.768 667 HD13 LEU 85 HD13 LEU 85 -9.435 20.144 22.301 668 HD21 LEU 85 HD21 LEU 85 -9.596 19.749 24.480 669 HD22 LEU 85 HD22 LEU 85 -8.934 20.838 25.700 670 HD23 LEU 85 HD23 LEU 85 -7.933 19.548 25.031 671 H SER 86 H SER 86 -5.209 18.401 23.080 672 HA SER 86 HA SER 86 -2.656 19.251 22.607 673 HB2 SER 86 HB2 SER 86 -3.863 16.549 23.007 674 HB3 SER 86 HB3 SER 86 -2.168 16.644 22.528 675 HG SER 86 HG SER 86 -1.665 17.435 24.428 676 H LEU 87 H LEU 87 -4.482 16.982 20.552 677 HA LEU 87 HA LEU 87 -2.612 16.591 18.563 678 HB2 LEU 87 HB2 LEU 87 -4.423 15.237 18.293 679 HB3 LEU 87 HB3 LEU 87 -5.572 16.512 18.693 680 HG LEU 87 HG LEU 87 -5.160 17.489 16.430 681 HD11 LEU 87 HD11 LEU 87 -3.148 16.743 15.639 682 HD12 LEU 87 HD12 LEU 87 -4.239 15.623 14.823 683 HD13 LEU 87 HD13 LEU 87 -3.375 15.113 16.273 684 HD21 LEU 87 HD21 LEU 87 -6.205 15.266 15.310 685 HD22 LEU 87 HD22 LEU 87 -7.124 16.394 16.306 686 HD23 LEU 87 HD23 LEU 87 -6.470 14.919 17.018 687 H VAL 88 H VAL 88 -5.270 18.973 18.456 688 HA VAL 88 HA VAL 88 -4.501 20.284 16.136 689 HB VAL 88 HB VAL 88 -5.686 21.814 18.428 690 HG11 VAL 88 HG11 VAL 88 -6.163 21.807 15.449 691 HG12 VAL 88 HG12 VAL 88 -7.013 22.825 16.613 692 HG13 VAL 88 HG13 VAL 88 -5.277 23.022 16.370 693 HG21 VAL 88 HG21 VAL 88 -6.789 19.418 17.117 694 HG22 VAL 88 HG22 VAL 88 -7.150 20.117 18.695 695 HG23 VAL 88 HG23 VAL 88 -7.885 20.794 17.242 696 H LYS 89 H LYS 89 -3.943 21.493 19.449 697 HA LYS 89 HA LYS 89 -2.244 23.570 18.837 698 HB2 LYS 89 HB2 LYS 89 -2.261 21.761 21.255 699 HB3 LYS 89 HB3 LYS 89 -1.305 23.234 21.151 700 HG2 LYS 89 HG2 LYS 89 -3.209 24.600 21.112 701 HG3 LYS 89 HG3 LYS 89 -4.277 23.243 20.748 702 HD2 LYS 89 HD2 LYS 89 -4.535 23.889 23.066 703 HD3 LYS 89 HD3 LYS 89 -3.781 22.296 22.973 704 HE2 LYS 89 HE2 LYS 89 -2.740 23.793 24.657 705 HE3 LYS 89 HE3 LYS 89 -1.616 23.234 23.420 706 HZ1 LYS 89 HZ1 LYS 89 -1.794 25.337 22.305 707 HZ2 LYS 89 HZ2 LYS 89 -1.388 25.614 23.924 708 HZ3 LYS 89 HZ3 LYS 89 -2.973 25.875 23.393 709 H ALA 90 H ALA 90 -1.639 20.207 18.614 710 HA ALA 90 HA ALA 90 1.252 20.487 18.669 711 HB1 ALA 90 HB1 ALA 90 -0.461 18.074 18.081 712 HB2 ALA 90 HB2 ALA 90 1.290 18.073 18.301 713 HB3 ALA 90 HB3 ALA 90 0.233 18.496 19.647 714 H LYS 91 H LYS 91 -1.014 19.061 16.307 715 HA LYS 91 HA LYS 91 0.665 18.965 14.136 716 HB2 LYS 91 HB2 LYS 91 -1.514 19.324 12.780 717 HB3 LYS 91 HB3 LYS 91 -1.388 17.916 13.826 718 HG2 LYS 91 HG2 LYS 91 -3.278 18.527 14.795 719 HG3 LYS 91 HG3 LYS 91 -2.458 19.963 15.414 720 HD2 LYS 91 HD2 LYS 91 -3.400 20.053 12.606 721 HD3 LYS 91 HD3 LYS 91 -4.634 20.090 13.867 722 HE2 LYS 91 HE2 LYS 91 -2.923 21.894 14.868 723 HE3 LYS 91 HE3 LYS 91 -2.579 22.094 13.151 724 HZ1 LYS 91 HZ1 LYS 91 -4.658 23.214 14.549 725 HZ2 LYS 91 HZ2 LYS 91 -5.379 21.982 13.642 726 HZ3 LYS 91 HZ3 LYS 91 -4.475 23.184 12.868 727 H PHE 92 H PHE 92 -1.100 21.721 15.404 728 HA PHE 92 HA PHE 92 -0.404 23.420 13.175 729 HB2 PHE 92 HB2 PHE 92 -2.394 24.169 14.025 730 HB3 PHE 92 HB3 PHE 92 -1.989 23.700 15.673 731 HD1 PHE 92 HD1 PHE 92 -1.353 26.245 13.064 732 HD2 PHE 92 HD2 PHE 92 -1.139 25.261 17.200 733 HE1 PHE 92 HE1 PHE 92 -0.807 28.586 13.589 734 HE2 PHE 92 HE2 PHE 92 -0.593 27.601 17.731 735 HZ PHE 92 HZ PHE 92 -0.427 29.267 15.925 736 H CYS 93 H CYS 93 0.915 22.584 16.256 737 HA CYS 93 HA CYS 93 2.689 24.883 16.335 738 HB2 CYS 93 HB2 CYS 93 1.824 24.135 18.454 739 HB3 CYS 93 HB3 CYS 93 2.375 22.491 18.155 740 HG CYS 93 HG CYS 93 4.985 22.901 18.619 741 H GLU 94 H GLU 94 2.679 21.684 15.126 742 HA GLU 94 HA GLU 94 5.595 21.535 15.029 743 HB2 GLU 94 HB2 GLU 94 5.282 19.257 14.240 744 HB3 GLU 94 HB3 GLU 94 4.338 19.525 15.698 745 HG2 GLU 94 HG2 GLU 94 2.558 18.768 14.635 746 HG3 GLU 94 HG3 GLU 94 2.646 20.161 13.558 747 H ALA 95 H ALA 95 2.849 22.176 13.014 748 HA ALA 95 HA ALA 95 4.656 22.481 10.705 749 HB1 ALA 95 HB1 ALA 95 2.873 20.571 10.688 750 HB2 ALA 95 HB2 ALA 95 1.760 21.884 10.302 751 HB3 ALA 95 HB3 ALA 95 3.136 21.555 9.248 752 HA PRO 96 HA PRO 96 3.336 26.665 10.464 753 HB2 PRO 96 HB2 PRO 96 3.594 27.112 7.798 754 HB3 PRO 96 HB3 PRO 96 4.979 26.954 8.884 755 HG2 PRO 96 HG2 PRO 96 3.764 24.918 7.057 756 HG3 PRO 96 HG3 PRO 96 5.475 25.279 7.349 757 HD2 PRO 96 HD2 PRO 96 4.213 23.177 8.498 758 HD3 PRO 96 HD3 PRO 96 5.530 24.056 9.301 759 H GLY 97 H GLY 97 1.112 26.225 11.063 760 HA2 GLY 97 HA2 GLY 97 -1.164 26.204 10.723 761 HA3 GLY 97 HA3 GLY 97 -0.791 27.299 9.400 762 H SER 98 H SER 98 0.456 24.064 9.361 763 HA SER 98 HA SER 98 -0.621 23.475 6.842 764 HB2 SER 98 HB2 SER 98 0.355 21.526 8.944 765 HB3 SER 98 HB3 SER 98 0.177 21.192 7.221 766 HG SER 98 HG SER 98 2.001 22.176 6.853 767 H CYS 99 H CYS 99 -1.642 20.896 7.030 768 HA CYS 99 HA CYS 99 -4.259 21.409 8.277 769 HB2 CYS 99 HB2 CYS 99 -3.586 19.670 5.894 770 HB3 CYS 99 HB3 CYS 99 -5.193 19.878 6.579 771 HG CYS 99 HG CYS 99 -4.672 21.332 4.099 772 H VAL 100 H VAL 100 -5.473 19.327 8.801 773 HA VAL 100 HA VAL 100 -3.619 17.339 9.942 774 HB VAL 100 HB VAL 100 -4.328 17.821 11.990 775 HG11 VAL 100 HG11 VAL 100 -4.712 20.098 11.130 776 HG12 VAL 100 HG12 VAL 100 -6.387 19.666 10.781 777 HG13 VAL 100 HG13 VAL 100 -5.807 19.682 12.448 778 HG21 VAL 100 HG21 VAL 100 -5.992 16.064 11.536 779 HG22 VAL 100 HG22 VAL 100 -6.585 17.264 12.684 780 HG23 VAL 100 HG23 VAL 100 -7.134 17.301 11.009 781 H ALA 101 H ALA 101 -4.146 15.229 9.688 782 HA ALA 101 HA ALA 101 -6.588 14.657 8.149 783 HB1 ALA 101 HB1 ALA 101 -4.079 14.083 7.423 784 HB2 ALA 101 HB2 ALA 101 -4.454 12.619 8.332 785 HB3 ALA 101 HB3 ALA 101 -5.463 13.090 6.965 786 H VAL 102 H VAL 102 -8.192 13.745 9.235 787 HA VAL 102 HA VAL 102 -7.537 11.924 11.459 788 HB VAL 102 HB VAL 102 -9.594 12.650 12.594 789 HG11 VAL 102 HG11 VAL 102 -7.214 13.830 12.701 790 HG12 VAL 102 HG12 VAL 102 -8.162 15.203 12.126 791 HG13 VAL 102 HG13 VAL 102 -8.593 14.403 13.639 792 HG21 VAL 102 HG21 VAL 102 -10.865 14.537 11.854 793 HG22 VAL 102 HG22 VAL 102 -9.746 14.836 10.524 794 HG23 VAL 102 HG23 VAL 102 -10.762 13.394 10.515 795 H HIS 103 H HIS 103 -8.896 10.134 11.756 796 HA HIS 103 HA HIS 103 -10.053 9.110 9.343 797 HB2 HIS 103 HB2 HIS 103 -9.062 8.029 11.763 798 HB3 HIS 103 HB3 HIS 103 -10.745 7.526 11.635 799 HD1 HIS 103 HD1 HIS 103 -10.642 7.319 8.436 800 HD2 HIS 103 HD2 HIS 103 -8.052 5.517 11.139 801 HE1 HIS 103 HE1 HIS 103 -9.670 5.344 7.221 802 H CYS 104 H CYS 104 -12.103 9.206 8.698 803 HA CYS 104 HA CYS 104 -14.263 9.442 10.614 804 HB2 CYS 104 HB2 CYS 104 -13.712 11.775 10.328 805 HB3 CYS 104 HB3 CYS 104 -13.689 11.600 8.577 806 HG CYS 104 HG CYS 104 -16.103 12.690 10.305 807 H VAL 105 H VAL 105 -16.258 8.806 9.799 808 HA VAL 105 HA VAL 105 -16.124 7.198 7.400 809 HB VAL 105 HB VAL 105 -17.296 6.132 9.124 810 HG11 VAL 105 HG11 VAL 105 -18.089 8.811 9.818 811 HG12 VAL 105 HG12 VAL 105 -19.483 7.728 9.817 812 HG13 VAL 105 HG13 VAL 105 -18.075 7.353 10.810 813 HG21 VAL 105 HG21 VAL 105 -18.519 6.601 6.746 814 HG22 VAL 105 HG22 VAL 105 -19.122 5.491 7.976 815 HG23 VAL 105 HG23 VAL 105 -19.761 7.132 7.880 816 H ALA 106 H ALA 106 -19.035 8.923 8.276 817 HA ALA 106 HA ALA 106 -18.974 10.252 5.647 818 HB1 ALA 106 HB1 ALA 106 -21.564 9.974 7.024 819 HB2 ALA 106 HB2 ALA 106 -21.150 9.759 5.322 820 HB3 ALA 106 HB3 ALA 106 -20.815 8.472 6.480 821 H GLY 107 H GLY 107 -19.467 10.670 9.077 822 HA2 GLY 107 HA2 GLY 107 -18.709 13.038 9.696 823 HA3 GLY 107 HA3 GLY 107 -20.031 13.531 8.649 824 H LEU 108 H LEU 108 -22.054 13.638 9.458 825 HA LEU 108 HA LEU 108 -23.456 14.075 11.267 826 HB2 LEU 108 HB2 LEU 108 -23.142 11.078 11.238 827 HB3 LEU 108 HB3 LEU 108 -24.464 11.948 12.014 828 HG LEU 108 HG LEU 108 -23.893 11.998 9.052 829 HD11 LEU 108 HD11 LEU 108 -25.970 10.433 10.577 830 HD12 LEU 108 HD12 LEU 108 -24.539 9.757 9.800 831 HD13 LEU 108 HD13 LEU 108 -25.800 10.510 8.823 832 HD21 LEU 108 HD21 LEU 108 -25.539 13.594 10.752 833 HD22 LEU 108 HD22 LEU 108 -26.567 12.629 9.692 834 HD23 LEU 108 HD23 LEU 108 -25.332 13.684 9.003 835 H GLY 109 H GLY 109 -23.890 12.420 13.550 836 HA2 GLY 109 HA2 GLY 109 -23.088 13.246 15.735 837 HA3 GLY 109 HA3 GLY 109 -22.489 11.622 15.430 838 H ARG 110 H ARG 110 -20.323 11.289 15.059 839 HA ARG 110 HA ARG 110 -18.403 12.640 16.292 840 HB2 ARG 110 HB2 ARG 110 -16.929 12.008 14.142 841 HB3 ARG 110 HB3 ARG 110 -17.486 10.810 15.303 842 HG2 ARG 110 HG2 ARG 110 -19.442 11.296 13.223 843 HG3 ARG 110 HG3 ARG 110 -17.888 10.771 12.573 844 HD2 ARG 110 HD2 ARG 110 -18.283 8.682 13.213 845 HD3 ARG 110 HD3 ARG 110 -18.531 9.206 14.878 846 HE ARG 110 HE ARG 110 -20.850 9.771 13.419 847 HH11 ARG 110 HH11 ARG 110 -19.034 7.027 14.558 848 HH12 ARG 110 HH12 ARG 110 -20.420 5.994 14.676 849 HH21 ARG 110 HH21 ARG 110 -22.682 8.420 13.570 850 HH22 ARG 110 HH22 ARG 110 -22.494 6.787 14.113 851 H ALA 111 H ALA 111 -19.215 13.339 12.888 852 HA ALA 111 HA ALA 111 -17.617 15.342 12.194 853 HB1 ALA 111 HB1 ALA 111 -20.482 14.856 11.721 854 HB2 ALA 111 HB2 ALA 111 -19.918 16.492 11.380 855 HB3 ALA 111 HB3 ALA 111 -19.166 15.115 10.575 856 HA PRO 112 HA PRO 112 -19.790 18.928 14.471 857 HB2 PRO 112 HB2 PRO 112 -22.155 18.460 15.719 858 HB3 PRO 112 HB3 PRO 112 -22.041 18.890 14.008 859 HG2 PRO 112 HG2 PRO 112 -22.386 16.195 15.266 860 HG3 PRO 112 HG3 PRO 112 -23.197 16.879 13.845 861 HD2 PRO 112 HD2 PRO 112 -21.129 15.143 13.647 862 HD3 PRO 112 HD3 PRO 112 -21.416 16.426 12.454 863 H VAL 113 H VAL 113 -20.518 15.878 16.153 864 HA VAL 113 HA VAL 113 -20.299 16.701 18.773 865 HB VAL 113 HB VAL 113 -19.494 14.085 17.511 866 HG11 VAL 113 HG11 VAL 113 -18.206 14.171 19.490 867 HG12 VAL 113 HG12 VAL 113 -19.534 14.880 20.412 868 HG13 VAL 113 HG13 VAL 113 -19.627 13.201 19.877 869 HG21 VAL 113 HG21 VAL 113 -21.812 14.353 17.336 870 HG22 VAL 113 HG22 VAL 113 -21.599 13.372 18.786 871 HG23 VAL 113 HG23 VAL 113 -21.937 15.097 18.930 872 H LEU 114 H LEU 114 -17.656 15.235 16.870 873 HA LEU 114 HA LEU 114 -15.628 15.744 18.725 874 HB2 LEU 114 HB2 LEU 114 -15.780 15.018 15.875 875 HB3 LEU 114 HB3 LEU 114 -14.277 15.784 16.383 876 HG LEU 114 HG LEU 114 -14.499 13.186 16.380 877 HD11 LEU 114 HD11 LEU 114 -12.695 14.789 17.369 878 HD12 LEU 114 HD12 LEU 114 -12.714 13.086 17.825 879 HD13 LEU 114 HD13 LEU 114 -13.387 14.298 18.915 880 HD21 LEU 114 HD21 LEU 114 -15.358 13.528 19.197 881 HD22 LEU 114 HD22 LEU 114 -15.569 12.160 18.104 882 HD23 LEU 114 HD23 LEU 114 -16.605 13.580 17.951 883 H VAL 115 H VAL 115 -16.272 17.512 15.690 884 HA VAL 115 HA VAL 115 -14.490 19.591 16.057 885 HB VAL 115 HB VAL 115 -16.268 18.989 14.119 886 HG11 VAL 115 HG11 VAL 115 -17.356 21.515 15.352 887 HG12 VAL 115 HG12 VAL 115 -17.944 20.686 13.909 888 HG13 VAL 115 HG13 VAL 115 -18.123 19.934 15.495 889 HG21 VAL 115 HG21 VAL 115 -15.117 21.749 14.493 890 HG22 VAL 115 HG22 VAL 115 -14.176 20.347 13.984 891 HG23 VAL 115 HG23 VAL 115 -15.491 20.942 12.971 892 H ALA 116 H ALA 116 -17.622 19.086 17.507 893 HA ALA 116 HA ALA 116 -18.086 21.716 18.424 894 HB1 ALA 116 HB1 ALA 116 -19.137 19.020 19.135 895 HB2 ALA 116 HB2 ALA 116 -19.480 20.382 20.202 896 HB3 ALA 116 HB3 ALA 116 -19.986 20.436 18.514 897 H LEU 117 H LEU 117 -16.586 18.896 19.984 898 HA LEU 117 HA LEU 117 -16.129 19.962 22.496 899 HB2 LEU 117 HB2 LEU 117 -15.733 17.604 21.749 900 HB3 LEU 117 HB3 LEU 117 -14.232 18.156 21.008 901 HG LEU 117 HG LEU 117 -14.097 17.019 23.296 902 HD11 LEU 117 HD11 LEU 117 -12.339 18.439 22.130 903 HD12 LEU 117 HD12 LEU 117 -12.198 18.269 23.879 904 HD13 LEU 117 HD13 LEU 117 -12.856 19.752 23.188 905 HD21 LEU 117 HD21 LEU 117 -15.961 18.221 24.331 906 HD22 LEU 117 HD22 LEU 117 -15.076 19.737 24.166 907 HD23 LEU 117 HD23 LEU 117 -14.458 18.466 25.222 908 H ALA 118 H ALA 118 -13.873 19.959 19.732 909 HA ALA 118 HA ALA 118 -11.913 21.559 20.966 910 HB1 ALA 118 HB1 ALA 118 -12.477 20.620 18.225 911 HB2 ALA 118 HB2 ALA 118 -11.456 22.051 18.370 912 HB3 ALA 118 HB3 ALA 118 -10.988 20.549 19.168 913 H LEU 119 H LEU 119 -14.753 22.355 19.048 914 HA LEU 119 HA LEU 119 -14.207 25.054 18.556 915 HB2 LEU 119 HB2 LEU 119 -15.981 24.161 17.353 916 HB3 LEU 119 HB3 LEU 119 -16.722 23.451 18.786 917 HG LEU 119 HG LEU 119 -17.542 25.585 19.499 918 HD11 LEU 119 HD11 LEU 119 -16.140 27.290 19.065 919 HD12 LEU 119 HD12 LEU 119 -17.113 27.455 17.605 920 HD13 LEU 119 HD13 LEU 119 -15.580 26.586 17.548 921 HD21 LEU 119 HD21 LEU 119 -18.019 25.266 16.538 922 HD22 LEU 119 HD22 LEU 119 -19.052 26.127 17.679 923 HD23 LEU 119 HD23 LEU 119 -18.857 24.378 17.811 924 H ILE 120 H ILE 120 -15.946 23.526 21.253 925 HA ILE 120 HA ILE 120 -16.587 25.901 22.616 926 HB ILE 120 HB ILE 120 -16.506 23.025 23.317 927 HG12 ILE 120 HG12 ILE 120 -18.785 23.506 24.074 928 HG13 ILE 120 HG13 ILE 120 -18.512 25.230 23.844 929 HG21 ILE 120 HG21 ILE 120 -15.348 23.757 25.227 930 HG22 ILE 120 HG22 ILE 120 -16.322 25.221 25.357 931 HG23 ILE 120 HG23 ILE 120 -17.037 23.651 25.724 932 HD11 ILE 120 HD11 ILE 120 -19.826 24.155 22.041 933 HD12 ILE 120 HD12 ILE 120 -18.355 24.948 21.476 934 HD13 ILE 120 HD13 ILE 120 -18.405 23.193 21.635 935 H GLU 121 H GLU 121 -13.745 23.823 22.704 936 HA GLU 121 HA GLU 121 -12.526 25.087 24.943 937 HB2 GLU 121 HB2 GLU 121 -11.363 23.389 22.731 938 HB3 GLU 121 HB3 GLU 121 -10.457 23.926 24.138 939 HG2 GLU 121 HG2 GLU 121 -12.968 22.599 24.801 940 HG3 GLU 121 HG3 GLU 121 -11.829 21.576 23.928 941 H SER 122 H SER 122 -12.736 25.833 21.581 942 HA SER 122 HA SER 122 -10.423 27.457 21.359 943 HB2 SER 122 HB2 SER 122 -11.051 27.321 19.213 944 HB3 SER 122 HB3 SER 122 -12.625 26.679 19.684 945 HG SER 122 HG SER 122 -13.098 28.548 18.679 946 H GLY 123 H GLY 123 -13.237 27.884 23.113 947 HA2 GLY 123 HA2 GLY 123 -13.321 29.804 24.602 948 HA3 GLY 123 HA3 GLY 123 -12.738 30.789 23.268 949 H MET 124 H MET 124 -15.138 28.380 22.636 950 HA MET 124 HA MET 124 -17.111 30.523 22.233 951 HB2 MET 124 HB2 MET 124 -16.220 28.638 20.455 952 HB3 MET 124 HB3 MET 124 -17.693 27.894 21.062 953 HG2 MET 124 HG2 MET 124 -18.593 29.064 19.358 954 HG3 MET 124 HG3 MET 124 -18.652 30.322 20.591 955 HE1 MET 124 HE1 MET 124 -17.459 33.047 19.440 956 HE2 MET 124 HE2 MET 124 -18.141 32.550 17.892 957 HE3 MET 124 HE3 MET 124 -18.924 32.065 19.396 958 H LYS 125 H LYS 125 -19.317 30.135 22.790 959 HA LYS 125 HA LYS 125 -19.616 28.786 25.291 960 HB2 LYS 125 HB2 LYS 125 -22.111 29.526 23.985 961 HB3 LYS 125 HB3 LYS 125 -21.439 30.075 25.515 962 HG2 LYS 125 HG2 LYS 125 -19.881 31.517 24.035 963 HG3 LYS 125 HG3 LYS 125 -21.083 31.217 22.778 964 HD2 LYS 125 HD2 LYS 125 -21.915 33.150 23.685 965 HD3 LYS 125 HD3 LYS 125 -22.758 31.955 24.673 966 HE2 LYS 125 HE2 LYS 125 -21.358 32.312 26.506 967 HE3 LYS 125 HE3 LYS 125 -20.112 33.078 25.523 968 HZ1 LYS 125 HZ1 LYS 125 -21.440 35.010 25.281 969 HZ2 LYS 125 HZ2 LYS 125 -21.438 34.627 26.928 970 HZ3 LYS 125 HZ3 LYS 125 -22.790 34.267 25.978 971 H TYR 126 H TYR 126 -20.658 26.902 25.770 972 HA TYR 126 HA TYR 126 -20.678 24.830 23.917 973 HB2 TYR 126 HB2 TYR 126 -20.771 23.836 25.934 974 HB3 TYR 126 HB3 TYR 126 -21.563 25.221 26.676 975 HD1 TYR 126 HD2 TYR 126 -22.301 22.353 24.403 976 HD2 TYR 126 HD1 TYR 126 -23.757 25.011 27.389 977 HE1 TYR 126 HE2 TYR 126 -24.412 21.095 24.484 978 HE2 TYR 126 HE1 TYR 126 -25.873 23.760 27.479 979 HH TYR 126 HH TYR 126 -26.267 20.722 26.200 980 H GLU 127 H GLU 127 -23.426 26.719 25.164 981 HA GLU 127 HA GLU 127 -25.414 25.452 23.644 982 HB2 GLU 127 HB2 GLU 127 -25.289 28.250 24.775 983 HB3 GLU 127 HB3 GLU 127 -26.731 27.550 24.053 984 HG2 GLU 127 HG2 GLU 127 -26.119 25.639 25.849 985 HG3 GLU 127 HG3 GLU 127 -25.502 27.066 26.677 986 H ASP 128 H ASP 128 -23.784 28.568 23.047 987 HA ASP 128 HA ASP 128 -24.908 29.207 20.622 988 HB2 ASP 128 HB2 ASP 128 -23.046 30.379 22.129 989 HB3 ASP 128 HB3 ASP 128 -21.981 29.675 20.915 990 H ALA 129 H ALA 129 -21.864 27.404 21.083 991 HA ALA 129 HA ALA 129 -21.355 26.809 18.424 992 HB1 ALA 129 HB1 ALA 129 -20.349 24.621 19.616 993 HB2 ALA 129 HB2 ALA 129 -19.565 26.201 19.659 994 HB3 ALA 129 HB3 ALA 129 -20.549 25.668 21.022 995 H ILE 130 H ILE 130 -23.187 24.894 20.799 996 HA ILE 130 HA ILE 130 -23.799 22.712 19.201 997 HB ILE 130 HB ILE 130 -25.371 23.999 21.426 998 HG12 ILE 130 HG12 ILE 130 -23.861 22.927 22.687 999 HG13 ILE 130 HG13 ILE 130 -24.522 21.409 22.091 1000 HG21 ILE 130 HG21 ILE 130 -26.660 21.854 21.485 1001 HG22 ILE 130 HG22 ILE 130 -26.997 22.879 20.091 1002 HG23 ILE 130 HG23 ILE 130 -25.961 21.463 19.914 1003 HD11 ILE 130 HD11 ILE 130 -22.226 22.953 20.911 1004 HD12 ILE 130 HD12 ILE 130 -22.138 21.432 21.801 1005 HD13 ILE 130 HD13 ILE 130 -22.921 21.486 20.222 1006 H GLN 131 H GLN 131 -25.813 25.606 19.751 1007 HA GLN 131 HA GLN 131 -27.898 25.028 18.056 1008 HB2 GLN 131 HB2 GLN 131 -26.619 27.615 18.871 1009 HB3 GLN 131 HB3 GLN 131 -27.941 27.612 17.712 1010 HG2 GLN 131 HG2 GLN 131 -28.195 27.730 20.431 1011 HG3 GLN 131 HG3 GLN 131 -29.466 27.284 19.293 1012 HE21 GLN 131 HE21 GLN 131 -27.268 26.183 21.707 1013 HE22 GLN 131 HE22 GLN 131 -27.862 24.565 21.818 1014 H PHE 132 H PHE 132 -24.711 26.271 17.253 1015 HA PHE 132 HA PHE 132 -25.257 26.926 14.558 1016 HB2 PHE 132 HB2 PHE 132 -23.245 27.625 15.983 1017 HB3 PHE 132 HB3 PHE 132 -22.568 26.047 15.595 1018 HD1 PHE 132 HD1 PHE 132 -24.491 28.431 13.482 1019 HD2 PHE 132 HD2 PHE 132 -20.792 26.439 14.171 1020 HE1 PHE 132 HE1 PHE 132 -23.614 29.333 11.367 1021 HE2 PHE 132 HE2 PHE 132 -19.910 27.339 12.058 1022 HZ PHE 132 HZ PHE 132 -21.321 28.789 10.654 1023 H ILE 133 H ILE 133 -23.282 24.210 15.758 1024 HA ILE 133 HA ILE 133 -23.342 22.776 13.344 1025 HB ILE 133 HB ILE 133 -22.641 20.812 14.737 1026 HG12 ILE 133 HG12 ILE 133 -22.392 22.656 17.074 1027 HG13 ILE 133 HG13 ILE 133 -23.950 21.894 16.770 1028 HG21 ILE 133 HG21 ILE 133 -20.480 21.576 14.933 1029 HG22 ILE 133 HG22 ILE 133 -21.168 22.769 13.832 1030 HG23 ILE 133 HG23 ILE 133 -20.980 23.154 15.543 1031 HD11 ILE 133 HD11 ILE 133 -21.396 20.335 16.999 1032 HD12 ILE 133 HD12 ILE 133 -22.426 20.711 18.380 1033 HD13 ILE 133 HD13 ILE 133 -23.052 19.733 17.053 1034 H ARG 134 H ARG 134 -25.725 23.195 15.732 1035 HA ARG 134 HA ARG 134 -27.108 20.708 15.191 1036 HB2 ARG 134 HB2 ARG 134 -27.209 21.589 17.444 1037 HB3 ARG 134 HB3 ARG 134 -27.859 23.114 16.857 1038 HG2 ARG 134 HG2 ARG 134 -29.926 22.119 16.282 1039 HG3 ARG 134 HG3 ARG 134 -29.280 20.492 16.502 1040 HD2 ARG 134 HD2 ARG 134 -28.881 21.153 18.927 1041 HD3 ARG 134 HD3 ARG 134 -29.895 22.558 18.597 1042 HE ARG 134 HE ARG 134 -31.099 20.044 17.877 1043 HH11 ARG 134 HH11 ARG 134 -30.598 22.371 20.418 1044 HH12 ARG 134 HH12 ARG 134 -32.002 21.892 21.312 1045 HH21 ARG 134 HH21 ARG 134 -32.950 19.404 19.046 1046 HH22 ARG 134 HH22 ARG 134 -33.339 20.203 20.531 1047 H GLN 135 H GLN 135 -27.568 24.162 14.541 1048 HA GLN 135 HA GLN 135 -30.035 23.916 13.202 1049 HB2 GLN 135 HB2 GLN 135 -29.662 26.165 12.424 1050 HB3 GLN 135 HB3 GLN 135 -29.110 26.046 14.089 1051 HG2 GLN 135 HG2 GLN 135 -26.891 26.227 13.512 1052 HG3 GLN 135 HG3 GLN 135 -27.164 25.658 11.866 1053 HE21 GLN 135 HE21 GLN 135 -28.610 28.244 13.817 1054 HE22 GLN 135 HE22 GLN 135 -28.292 29.510 12.686 1055 H LYS 136 H LYS 136 -26.746 23.441 12.183 1056 HA LYS 136 HA LYS 136 -27.450 23.387 9.365 1057 HB2 LYS 136 HB2 LYS 136 -25.066 22.928 8.999 1058 HB3 LYS 136 HB3 LYS 136 -25.300 24.345 10.013 1059 HG2 LYS 136 HG2 LYS 136 -24.131 23.449 11.671 1060 HG3 LYS 136 HG3 LYS 136 -25.063 21.951 11.607 1061 HD2 LYS 136 HD2 LYS 136 -23.085 22.407 9.447 1062 HD3 LYS 136 HD3 LYS 136 -22.452 22.053 11.057 1063 HE2 LYS 136 HE2 LYS 136 -23.878 20.034 11.128 1064 HE3 LYS 136 HE3 LYS 136 -24.404 20.377 9.481 1065 HZ1 LYS 136 HZ1 LYS 136 -22.258 19.986 8.652 1066 HZ2 LYS 136 HZ2 LYS 136 -22.539 18.724 9.742 1067 HZ3 LYS 136 HZ3 LYS 136 -21.551 20.022 10.189 1068 H ARG 137 H ARG 137 -28.011 21.329 11.767 1069 HA ARG 137 HA ARG 137 -28.436 19.100 10.095 1070 HB2 ARG 137 HB2 ARG 137 -25.794 19.288 10.849 1071 HB3 ARG 137 HB3 ARG 137 -26.461 18.204 12.062 1072 HG2 ARG 137 HG2 ARG 137 -25.836 16.697 10.474 1073 HG3 ARG 137 HG3 ARG 137 -27.494 17.015 9.958 1074 HD2 ARG 137 HD2 ARG 137 -26.760 18.504 8.252 1075 HD3 ARG 137 HD3 ARG 137 -25.112 18.504 8.877 1076 HE ARG 137 HE ARG 137 -24.726 16.520 7.786 1077 HH11 ARG 137 HH11 ARG 137 -28.142 17.193 7.810 1078 HH12 ARG 137 HH12 ARG 137 -28.533 15.918 6.704 1079 HH21 ARG 137 HH21 ARG 137 -25.228 14.839 6.329 1080 HH22 ARG 137 HH22 ARG 137 -26.875 14.579 5.863 1081 H ARG 138 H ARG 138 -30.328 18.551 10.960 1082 HA ARG 138 HA ARG 138 -31.262 19.024 13.493 1083 HB2 ARG 138 HB2 ARG 138 -31.979 17.160 11.320 1084 HB3 ARG 138 HB3 ARG 138 -32.563 16.710 12.917 1085 HG2 ARG 138 HG2 ARG 138 -34.213 18.013 11.685 1086 HG3 ARG 138 HG3 ARG 138 -33.676 18.857 13.138 1087 HD2 ARG 138 HD2 ARG 138 -32.223 19.410 10.612 1088 HD3 ARG 138 HD3 ARG 138 -33.856 20.056 10.767 1089 HE ARG 138 HE ARG 138 -31.505 20.941 12.156 1090 HH11 ARG 138 HH11 ARG 138 -34.980 20.758 12.254 1091 HH12 ARG 138 HH12 ARG 138 -35.152 22.116 13.315 1092 HH21 ARG 138 HH21 ARG 138 -31.718 22.731 13.553 1093 HH22 ARG 138 HH22 ARG 138 -33.296 23.239 14.053 1094 H GLY 139 H GLY 139 -30.702 18.338 15.448 1095 HA2 GLY 139 HA2 GLY 139 -29.651 17.129 17.099 1096 HA3 GLY 139 HA3 GLY 139 -30.362 15.742 16.289 1097 H ALA 140 H ALA 140 -27.627 17.990 15.862 1098 HA ALA 140 HA ALA 140 -26.063 15.923 14.575 1099 HB1 ALA 140 HB1 ALA 140 -25.978 18.797 14.763 1100 HB2 ALA 140 HB2 ALA 140 -24.395 18.095 15.097 1101 HB3 ALA 140 HB3 ALA 140 -25.222 17.725 13.584 1102 H ILE 141 H ILE 141 -25.461 18.049 17.381 1103 HA ILE 141 HA ILE 141 -23.621 16.050 18.455 1104 HB ILE 141 HB ILE 141 -22.814 18.342 18.416 1105 HG12 ILE 141 HG12 ILE 141 -23.415 17.701 21.297 1106 HG13 ILE 141 HG13 ILE 141 -22.311 16.716 20.344 1107 HG21 ILE 141 HG21 ILE 141 -24.105 19.779 20.315 1108 HG22 ILE 141 HG22 ILE 141 -24.428 19.897 18.586 1109 HG23 ILE 141 HG23 ILE 141 -25.445 18.879 19.605 1110 HD11 ILE 141 HD11 ILE 141 -20.692 18.290 20.346 1111 HD12 ILE 141 HD12 ILE 141 -21.838 19.631 20.350 1112 HD13 ILE 141 HD13 ILE 141 -21.503 18.753 21.842 1113 H ASN 142 H ASN 142 -26.826 17.142 18.851 1114 HA ASN 142 HA ASN 142 -27.521 16.994 21.430 1115 HB2 ASN 142 HB2 ASN 142 -28.849 16.512 18.975 1116 HB3 ASN 142 HB3 ASN 142 -29.305 15.208 20.067 1117 HD21 ASN 142 HD21 ASN 142 -28.917 18.731 20.025 1118 HD22 ASN 142 HD22 ASN 142 -30.300 19.066 21.005 1119 H SER 143 H SER 143 -28.184 15.345 22.911 1120 HA SER 143 HA SER 143 -28.331 13.039 23.549 1121 HB2 SER 143 HB2 SER 143 -27.457 12.370 21.258 1122 HB3 SER 143 HB3 SER 143 -25.833 12.595 21.909 1123 HG SER 143 HG SER 143 -26.664 10.409 22.039 1124 H LYS 144 H LYS 144 -25.967 11.637 24.273 1125 HA LYS 144 HA LYS 144 -25.338 12.688 26.712 1126 HB2 LYS 144 HB2 LYS 144 -23.414 11.129 24.979 1127 HB3 LYS 144 HB3 LYS 144 -23.383 11.248 26.733 1128 HG2 LYS 144 HG2 LYS 144 -24.550 9.362 26.753 1129 HG3 LYS 144 HG3 LYS 144 -25.925 10.318 26.194 1130 HD2 LYS 144 HD2 LYS 144 -25.020 9.905 23.837 1131 HD3 LYS 144 HD3 LYS 144 -24.010 8.660 24.576 1132 HE2 LYS 144 HE2 LYS 144 -26.046 7.679 23.695 1133 HE3 LYS 144 HE3 LYS 144 -26.025 7.566 25.454 1134 HZ1 LYS 144 HZ1 LYS 144 -28.176 8.300 24.385 1135 HZ2 LYS 144 HZ2 LYS 144 -27.407 9.766 24.039 1136 HZ3 LYS 144 HZ3 LYS 144 -27.599 9.270 25.645 1137 H GLN 145 H GLN 145 -24.050 13.605 23.613 1138 HA GLN 145 HA GLN 145 -21.731 14.946 24.459 1139 HB2 GLN 145 HB2 GLN 145 -23.363 15.895 22.128 1140 HB3 GLN 145 HB3 GLN 145 -21.614 15.838 22.303 1141 HG2 GLN 145 HG2 GLN 145 -23.512 13.597 21.720 1142 HG3 GLN 145 HG3 GLN 145 -22.127 14.147 20.780 1143 HE21 GLN 145 HE21 GLN 145 -23.122 11.643 22.457 1144 HE22 GLN 145 HE22 GLN 145 -21.646 11.098 23.170 1145 H LEU 146 H LEU 146 -24.937 16.291 23.656 1146 HA LEU 146 HA LEU 146 -24.427 18.918 24.405 1147 HB2 LEU 146 HB2 LEU 146 -26.662 17.380 23.615 1148 HB3 LEU 146 HB3 LEU 146 -27.118 18.240 25.084 1149 HG LEU 146 HG LEU 146 -26.084 20.290 23.743 1150 HD11 LEU 146 HD11 LEU 146 -26.045 18.247 21.815 1151 HD12 LEU 146 HD12 LEU 146 -25.737 19.967 21.579 1152 HD13 LEU 146 HD13 LEU 146 -27.367 19.328 21.374 1153 HD21 LEU 146 HD21 LEU 146 -28.444 19.844 24.648 1154 HD22 LEU 146 HD22 LEU 146 -28.829 19.334 23.004 1155 HD23 LEU 146 HD23 LEU 146 -28.270 20.979 23.309 1156 H THR 147 H THR 147 -25.867 16.303 26.345 1157 HA THR 147 HA THR 147 -26.134 17.800 28.716 1158 HB THR 147 HB THR 147 -26.422 15.674 29.865 1159 HG1 THR 147 HG1 THR 147 -26.209 13.755 28.331 1160 HG21 THR 147 HG21 THR 147 -27.677 15.678 27.117 1161 HG22 THR 147 HG22 THR 147 -28.309 16.474 28.558 1162 HG23 THR 147 HG23 THR 147 -28.230 14.714 28.486 1163 H TYR 148 H TYR 148 -23.463 16.003 27.347 1164 HA TYR 148 HA TYR 148 -21.856 15.753 29.624 1165 HB2 TYR 148 HB2 TYR 148 -21.067 14.508 27.847 1166 HB3 TYR 148 HB3 TYR 148 -21.340 15.799 26.682 1167 HD1 TYR 148 HD2 TYR 148 -19.265 15.240 29.748 1168 HD2 TYR 148 HD1 TYR 148 -19.448 16.735 25.769 1169 HE1 TYR 148 HE2 TYR 148 -16.885 15.848 29.874 1170 HE2 TYR 148 HE1 TYR 148 -17.068 17.346 25.883 1171 HH TYR 148 HH TYR 148 -15.395 17.898 27.715 1172 H LEU 149 H LEU 149 -21.657 18.222 27.055 1173 HA LEU 149 HA LEU 149 -19.805 19.845 28.452 1174 HB2 LEU 149 HB2 LEU 149 -20.820 19.760 25.904 1175 HB3 LEU 149 HB3 LEU 149 -21.531 21.237 26.550 1176 HG LEU 149 HG LEU 149 -19.495 21.746 25.351 1177 HD11 LEU 149 HD11 LEU 149 -18.547 22.063 28.129 1178 HD12 LEU 149 HD12 LEU 149 -20.146 22.709 27.763 1179 HD13 LEU 149 HD13 LEU 149 -18.743 23.260 26.848 1180 HD21 LEU 149 HD21 LEU 149 -17.967 20.110 25.300 1181 HD22 LEU 149 HD22 LEU 149 -18.495 19.434 26.842 1182 HD23 LEU 149 HD23 LEU 149 -17.390 20.810 26.813 1183 H GLU 150 H GLU 150 -23.240 19.531 28.582 1184 HA GLU 150 HA GLU 150 -23.971 22.056 29.537 1185 HB2 GLU 150 HB2 GLU 150 -25.400 19.950 28.861 1186 HB3 GLU 150 HB3 GLU 150 -25.312 19.595 30.581 1187 HG2 GLU 150 HG2 GLU 150 -26.591 21.925 29.208 1188 HG3 GLU 150 HG3 GLU 150 -27.306 20.766 30.328 1189 H LYS 151 H LYS 151 -23.043 19.126 31.325 1190 HA LYS 151 HA LYS 151 -22.994 20.626 33.822 1191 HB2 LYS 151 HB2 LYS 151 -22.946 17.753 33.063 1192 HB3 LYS 151 HB3 LYS 151 -22.138 18.197 34.561 1193 HG2 LYS 151 HG2 LYS 151 -24.533 19.518 34.759 1194 HG3 LYS 151 HG3 LYS 151 -24.977 18.014 33.947 1195 HD2 LYS 151 HD2 LYS 151 -25.157 17.667 36.310 1196 HD3 LYS 151 HD3 LYS 151 -23.748 16.774 35.732 1197 HE2 LYS 151 HE2 LYS 151 -22.533 19.051 36.358 1198 HE3 LYS 151 HE3 LYS 151 -23.904 19.186 37.459 1199 HZ1 LYS 151 HZ1 LYS 151 -21.615 17.824 37.954 1200 HZ2 LYS 151 HZ2 LYS 151 -22.676 16.591 37.492 1201 HZ3 LYS 151 HZ3 LYS 151 -23.076 17.613 38.779 1202 H TYR 152 H TYR 152 -20.832 19.400 31.416 1203 HA TYR 152 HA TYR 152 -18.468 19.403 33.004 1204 HB2 TYR 152 HB2 TYR 152 -18.722 18.126 30.879 1205 HB3 TYR 152 HB3 TYR 152 -18.708 19.650 29.998 1206 HD1 TYR 152 HD1 TYR 152 -16.669 17.469 32.200 1207 HD2 TYR 152 HD2 TYR 152 -16.675 20.696 29.426 1208 HE1 TYR 152 HE1 TYR 152 -14.213 17.380 32.100 1209 HE2 TYR 152 HE2 TYR 152 -14.219 20.614 29.317 1210 HH TYR 152 HH TYR 152 -12.423 18.447 29.868 1211 H ARG 153 H ARG 153 -16.735 20.895 32.953 1212 HA ARG 153 HA ARG 153 -17.488 23.613 32.103 1213 HB2 ARG 153 HB2 ARG 153 -17.610 23.740 34.435 1214 HB3 ARG 153 HB3 ARG 153 -16.238 22.664 34.660 1215 HG2 ARG 153 HG2 ARG 153 -15.761 25.261 33.306 1216 HG3 ARG 153 HG3 ARG 153 -16.052 25.267 35.046 1217 HD2 ARG 153 HD2 ARG 153 -14.244 23.173 34.552 1218 HD3 ARG 153 HD3 ARG 153 -13.681 24.546 33.600 1219 HE ARG 153 HE ARG 153 -13.160 25.650 35.547 1220 HH11 ARG 153 HH11 ARG 153 -15.100 22.851 36.272 1221 HH12 ARG 153 HH12 ARG 153 -14.852 22.961 37.983 1222 HH21 ARG 153 HH21 ARG 153 -12.826 25.805 37.798 1223 HH22 ARG 153 HH22 ARG 153 -13.559 24.642 38.850 1224 HA PRO 154 HA PRO 154 -13.763 23.368 29.721 1225 HB2 PRO 154 HB2 PRO 154 -13.668 25.980 28.984 1226 HB3 PRO 154 HB3 PRO 154 -14.792 24.819 28.266 1227 HG2 PRO 154 HG2 PRO 154 -15.276 26.841 30.420 1228 HG3 PRO 154 HG3 PRO 154 -16.296 26.420 29.032 1229 HD2 PRO 154 HD2 PRO 154 -16.773 25.484 31.528 1230 HD3 PRO 154 HD3 PRO 154 -17.149 24.546 30.068 1231 H LYS 155 H LYS 155 -11.828 23.202 30.650 1232 HA LYS 155 HA LYS 155 -11.052 24.914 32.840 1233 HB2 LYS 155 HB2 LYS 155 -9.109 23.507 33.028 1234 HB3 LYS 155 HB3 LYS 155 -10.514 22.481 32.771 1235 HG2 LYS 155 HG2 LYS 155 -9.795 22.670 30.254 1236 HG3 LYS 155 HG3 LYS 155 -8.224 23.053 30.962 1237 HD2 LYS 155 HD2 LYS 155 -7.981 20.804 30.924 1238 HD3 LYS 155 HD3 LYS 155 -8.882 20.904 32.439 1239 HE2 LYS 155 HE2 LYS 155 -9.797 19.186 30.955 1240 HE3 LYS 155 HE3 LYS 155 -10.961 20.476 31.249 1241 HZ1 LYS 155 HZ1 LYS 155 -11.041 20.947 29.095 1242 HZ2 LYS 155 HZ2 LYS 155 -10.171 19.526 28.808 1243 HZ3 LYS 155 HZ3 LYS 155 -9.356 21.002 28.952 1244 H GLN 156 H GLN 156 -11.110 25.420 29.638 1245 HA GLN 156 HA GLN 156 -10.152 26.984 28.287 1246 HB2 GLN 156 HB2 GLN 156 -8.451 27.836 30.624 1247 HB3 GLN 156 HB3 GLN 156 -8.932 28.794 29.230 1248 HG2 GLN 156 HG2 GLN 156 -11.211 28.852 29.990 1249 HG3 GLN 156 HG3 GLN 156 -10.832 27.758 31.319 1250 HE21 GLN 156 HE21 GLN 156 -11.676 30.740 30.873 1251 HE22 GLN 156 HE22 GLN 156 -10.715 31.571 32.044 1252 H ARG 157 H ARG 157 -9.205 25.119 27.226 1253 HA ARG 157 HA ARG 157 -6.344 24.738 27.761 1254 HB2 ARG 157 HB2 ARG 157 -8.042 22.788 27.607 1255 HB3 ARG 157 HB3 ARG 157 -7.975 23.065 25.872 1256 HG2 ARG 157 HG2 ARG 157 -6.077 21.938 25.705 1257 HG3 ARG 157 HG3 ARG 157 -5.321 22.923 26.959 1258 HD2 ARG 157 HD2 ARG 157 -6.798 21.427 28.547 1259 HD3 ARG 157 HD3 ARG 157 -6.740 20.314 27.182 1260 HE ARG 157 HE ARG 157 -4.158 20.891 27.485 1261 HH11 ARG 157 HH11 ARG 157 -6.592 20.053 29.829 1262 HH12 ARG 157 HH12 ARG 157 -5.473 19.297 30.914 1263 HH21 ARG 157 HH21 ARG 157 -2.675 19.897 28.905 1264 HH22 ARG 157 HH22 ARG 157 -3.245 19.209 30.388 1265 H LEU 158 H LEU 158 -8.543 25.009 24.963 1266 HA LEU 158 HA LEU 158 -6.419 25.651 23.161 1267 HB2 LEU 158 HB2 LEU 158 -9.158 24.959 22.985 1268 HB3 LEU 158 HB3 LEU 158 -8.947 26.496 22.150 1269 HG LEU 158 HG LEU 158 -8.786 24.393 20.743 1270 HD11 LEU 158 HD11 LEU 158 -6.243 25.577 20.172 1271 HD12 LEU 158 HD12 LEU 158 -7.392 26.829 20.642 1272 HD13 LEU 158 HD13 LEU 158 -7.772 25.741 19.307 1273 HD21 LEU 158 HD21 LEU 158 -5.978 24.016 21.315 1274 HD22 LEU 158 HD22 LEU 158 -7.271 22.824 21.175 1275 HD23 LEU 158 HD23 LEU 158 -6.981 23.635 22.715 1276 H ARG 159 H ARG 159 -8.694 27.480 25.086 1277 HA ARG 159 HA ARG 159 -7.171 29.837 24.993 1278 HB2 ARG 159 HB2 ARG 159 -8.711 29.499 22.689 1279 HB3 ARG 159 HB3 ARG 159 -9.631 30.628 23.674 1280 HG2 ARG 159 HG2 ARG 159 -8.339 32.161 22.673 1281 HG3 ARG 159 HG3 ARG 159 -7.160 31.688 23.898 1282 HD2 ARG 159 HD2 ARG 159 -7.144 29.968 21.540 1283 HD3 ARG 159 HD3 ARG 159 -6.762 31.651 21.180 1284 HE ARG 159 HE ARG 159 -5.094 29.776 22.512 1285 HH11 ARG 159 HH11 ARG 159 -5.970 33.145 22.436 1286 HH12 ARG 159 HH12 ARG 159 -4.447 33.689 23.060 1287 HH21 ARG 159 HH21 ARG 159 -3.086 30.480 23.333 1288 HH22 ARG 159 HH22 ARG 159 -2.807 32.172 23.568 1289 H PHE 160 H PHE 160 -8.980 31.795 25.479 1290 HA PHE 160 HA PHE 160 -10.055 30.970 28.033 1291 HB2 PHE 160 HB2 PHE 160 -9.343 33.497 26.732 1292 HB3 PHE 160 HB3 PHE 160 -10.816 33.594 27.692 1293 HD1 PHE 160 HD1 PHE 160 -7.458 31.996 28.043 1294 HD2 PHE 160 HD2 PHE 160 -10.507 34.378 29.815 1295 HE1 PHE 160 HE1 PHE 160 -6.105 32.200 30.088 1296 HE2 PHE 160 HE2 PHE 160 -9.159 34.587 31.862 1297 HZ PHE 160 HZ PHE 160 -6.955 33.499 32.001 1298 H LYS 161 H LYS 161 -11.995 30.068 28.154 1299 HA LYS 161 HA LYS 161 -14.047 30.795 26.191 1300 HB2 LYS 161 HB2 LYS 161 -13.368 28.362 26.717 1301 HB3 LYS 161 HB3 LYS 161 -14.269 28.577 28.212 1302 HG2 LYS 161 HG2 LYS 161 -15.644 29.305 25.695 1303 HG3 LYS 161 HG3 LYS 161 -15.362 27.589 26.000 1304 HD2 LYS 161 HD2 LYS 161 -16.292 28.386 28.415 1305 HD3 LYS 161 HD3 LYS 161 -17.169 29.485 27.347 1306 HE2 LYS 161 HE2 LYS 161 -18.219 27.730 26.215 1307 HE3 LYS 161 HE3 LYS 161 -17.054 26.539 26.794 1308 HZ1 LYS 161 HZ1 LYS 161 -18.125 27.461 29.085 1309 HZ2 LYS 161 HZ2 LYS 161 -18.630 26.061 28.282 1310 HZ3 LYS 161 HZ3 LYS 161 -19.459 27.516 28.046 1311 H ASP 162 H ASP 162 -16.188 31.296 26.859 1312 HA ASP 162 HA ASP 162 -17.651 32.584 28.048 1313 HB2 ASP 162 HB2 ASP 162 -17.888 30.428 29.213 1314 HB3 ASP 162 HB3 ASP 162 -16.596 30.884 30.319 Start of MODEL 20 1 H1 MET 1 H MET 1 -8.111 2.869 -2.602 2 HA MET 1 HA MET 1 -7.957 1.249 -0.486 3 HB2 MET 1 HB2 MET 1 -9.453 -0.329 -2.580 4 HB3 MET 1 HB3 MET 1 -8.977 -0.870 -0.976 5 HG2 MET 1 HG2 MET 1 -10.554 1.472 -0.691 6 HG3 MET 1 HG3 MET 1 -11.387 0.369 -1.783 7 HE1 MET 1 HE1 MET 1 -12.195 -2.658 -0.002 8 HE2 MET 1 HE2 MET 1 -13.353 -1.340 -0.179 9 HE3 MET 1 HE3 MET 1 -12.172 -1.654 -1.452 10 H ALA 2 H ALA 2 -7.571 1.525 -3.918 11 HA ALA 2 HA ALA 2 -5.509 -0.466 -4.137 12 HB1 ALA 2 HB1 ALA 2 -5.730 1.634 -6.205 13 HB2 ALA 2 HB2 ALA 2 -5.611 -0.119 -6.371 14 HB3 ALA 2 HB3 ALA 2 -7.153 0.625 -5.947 15 H ARG 3 H ARG 3 -3.312 0.082 -4.918 16 HA ARG 3 HA ARG 3 -2.236 2.287 -3.332 17 HB2 ARG 3 HB2 ARG 3 -0.030 1.197 -3.828 18 HB3 ARG 3 HB3 ARG 3 -1.159 0.192 -2.930 19 HG2 ARG 3 HG2 ARG 3 -1.481 -0.228 -5.753 20 HG3 ARG 3 HG3 ARG 3 0.204 -0.454 -5.278 21 HD2 ARG 3 HD2 ARG 3 -1.797 -1.666 -3.490 22 HD3 ARG 3 HD3 ARG 3 -1.697 -2.369 -5.103 23 HE ARG 3 HE ARG 3 0.882 -2.283 -4.350 24 HH11 ARG 3 HH11 ARG 3 -1.986 -3.467 -2.772 25 HH12 ARG 3 HH12 ARG 3 -1.148 -4.699 -1.887 26 HH21 ARG 3 HH21 ARG 3 1.997 -3.900 -3.191 27 HH22 ARG 3 HH22 ARG 3 1.117 -4.944 -2.125 28 H MET 4 H MET 4 -3.633 2.932 -5.735 29 HA MET 4 HA MET 4 -1.834 4.741 -6.901 30 HB2 MET 4 HB2 MET 4 -0.814 2.859 -7.993 31 HB3 MET 4 HB3 MET 4 -2.379 2.243 -8.508 32 HG2 MET 4 HG2 MET 4 -2.065 4.904 -9.479 33 HG3 MET 4 HG3 MET 4 -0.634 3.962 -9.893 34 HE1 MET 4 HE1 MET 4 -1.899 0.853 -11.080 35 HE2 MET 4 HE2 MET 4 -1.328 1.771 -12.473 36 HE3 MET 4 HE3 MET 4 -0.522 1.943 -10.913 37 H ASN 5 H ASN 5 -3.673 6.019 -6.389 38 HA ASN 5 HA ASN 5 -5.547 6.214 -8.577 39 HB2 ASN 5 HB2 ASN 5 -6.301 4.786 -6.250 40 HB3 ASN 5 HB3 ASN 5 -7.147 6.330 -6.197 41 HD21 ASN 5 HD21 ASN 5 -8.827 6.676 -7.529 42 HD22 ASN 5 HD22 ASN 5 -9.403 5.535 -8.692 43 H ARG 6 H ARG 6 -7.342 7.979 -7.632 44 HA ARG 6 HA ARG 6 -5.692 10.196 -6.609 45 HB2 ARG 6 HB2 ARG 6 -8.041 10.447 -8.490 46 HB3 ARG 6 HB3 ARG 6 -6.938 11.722 -7.993 47 HG2 ARG 6 HG2 ARG 6 -5.941 11.288 -9.950 48 HG3 ARG 6 HG3 ARG 6 -5.201 9.952 -9.066 49 HD2 ARG 6 HD2 ARG 6 -6.770 8.399 -9.914 50 HD3 ARG 6 HD3 ARG 6 -7.819 9.680 -10.518 51 HE ARG 6 HE ARG 6 -5.460 10.025 -11.855 52 HH11 ARG 6 HH11 ARG 6 -7.722 7.409 -11.457 53 HH12 ARG 6 HH12 ARG 6 -7.395 6.716 -13.011 54 HH21 ARG 6 HH21 ARG 6 -5.020 9.123 -13.904 55 HH22 ARG 6 HH22 ARG 6 -5.857 7.692 -14.402 56 HA PRO 7 HA PRO 7 -9.140 9.480 -3.609 57 HB2 PRO 7 HB2 PRO 7 -7.601 9.869 -1.407 58 HB3 PRO 7 HB3 PRO 7 -7.743 8.303 -2.215 59 HG2 PRO 7 HG2 PRO 7 -5.578 10.359 -2.435 60 HG3 PRO 7 HG3 PRO 7 -5.438 8.596 -2.301 61 HD2 PRO 7 HD2 PRO 7 -5.202 9.901 -4.661 62 HD3 PRO 7 HD3 PRO 7 -5.880 8.265 -4.539 63 H ALA 8 H ALA 8 -10.433 11.171 -3.302 64 HA ALA 8 HA ALA 8 -9.220 13.812 -2.823 65 HB1 ALA 8 HB1 ALA 8 -11.780 14.389 -3.485 66 HB2 ALA 8 HB2 ALA 8 -10.448 14.309 -4.640 67 HB3 ALA 8 HB3 ALA 8 -11.516 12.921 -4.427 68 HA PRO 9 HA PRO 9 -11.111 12.808 1.223 69 HB2 PRO 9 HB2 PRO 9 -9.356 14.313 2.646 70 HB3 PRO 9 HB3 PRO 9 -9.007 12.657 2.135 71 HG2 PRO 9 HG2 PRO 9 -8.143 15.243 0.899 72 HG3 PRO 9 HG3 PRO 9 -7.202 13.766 1.176 73 HD2 PRO 9 HD2 PRO 9 -8.247 14.395 -1.242 74 HD3 PRO 9 HD3 PRO 9 -8.060 12.719 -0.689 75 H VAL 10 H VAL 10 -11.213 14.692 3.146 76 HA VAL 10 HA VAL 10 -12.434 17.045 1.857 77 HB VAL 10 HB VAL 10 -13.530 15.331 4.068 78 HG11 VAL 10 HG11 VAL 10 -14.206 18.207 3.479 79 HG12 VAL 10 HG12 VAL 10 -15.231 17.128 4.427 80 HG13 VAL 10 HG13 VAL 10 -13.610 17.531 4.994 81 HG21 VAL 10 HG21 VAL 10 -14.084 15.611 1.341 82 HG22 VAL 10 HG22 VAL 10 -15.029 14.727 2.540 83 HG23 VAL 10 HG23 VAL 10 -15.414 16.410 2.180 84 H GLU 11 H GLU 11 -11.377 18.822 2.414 85 HA GLU 11 HA GLU 11 -9.936 18.894 4.965 86 HB2 GLU 11 HB2 GLU 11 -8.448 19.489 3.278 87 HB3 GLU 11 HB3 GLU 11 -9.668 20.380 2.379 88 HG2 GLU 11 HG2 GLU 11 -8.954 21.408 5.057 89 HG3 GLU 11 HG3 GLU 11 -7.749 21.569 3.781 90 H VAL 12 H VAL 12 -10.718 19.997 6.627 91 HA VAL 12 HA VAL 12 -12.787 22.032 6.111 92 HB VAL 12 HB VAL 12 -13.790 20.287 7.358 93 HG11 VAL 12 HG11 VAL 12 -11.486 20.425 9.300 94 HG12 VAL 12 HG12 VAL 12 -12.857 19.315 9.361 95 HG13 VAL 12 HG13 VAL 12 -11.682 19.194 8.052 96 HG21 VAL 12 HG21 VAL 12 -14.533 21.403 9.292 97 HG22 VAL 12 HG22 VAL 12 -13.004 22.261 9.485 98 HG23 VAL 12 HG23 VAL 12 -14.091 22.682 8.162 99 H SER 13 H SER 13 -11.844 23.976 6.173 100 HA SER 13 HA SER 13 -9.700 24.502 8.080 101 HB2 SER 13 HB2 SER 13 -8.954 25.993 6.571 102 HB3 SER 13 HB3 SER 13 -10.179 25.355 5.474 103 HG SER 13 HG SER 13 -11.528 26.998 6.013 104 H TYR 14 H TYR 14 -10.057 25.424 9.979 105 HA TYR 14 HA TYR 14 -12.663 26.655 10.488 106 HB2 TYR 14 HB2 TYR 14 -11.149 24.880 11.965 107 HB3 TYR 14 HB3 TYR 14 -10.845 26.417 12.767 108 HD1 TYR 14 HD2 TYR 14 -13.890 24.940 11.175 109 HD2 TYR 14 HD1 TYR 14 -12.114 26.554 14.688 110 HE1 TYR 14 HE2 TYR 14 -16.045 24.749 12.344 111 HE2 TYR 14 HE1 TYR 14 -14.264 26.367 15.868 112 HH TYR 14 HH TYR 14 -16.712 24.513 14.945 113 H LYS 15 H LYS 15 -11.968 28.233 12.682 114 HA LYS 15 HA LYS 15 -11.398 30.680 11.532 115 HB2 LYS 15 HB2 LYS 15 -10.937 31.469 13.847 116 HB3 LYS 15 HB3 LYS 15 -12.428 30.547 13.706 117 HG2 LYS 15 HG2 LYS 15 -10.926 28.539 14.413 118 HG3 LYS 15 HG3 LYS 15 -9.860 29.806 15.026 119 HD2 LYS 15 HD2 LYS 15 -11.287 29.134 16.818 120 HD3 LYS 15 HD3 LYS 15 -11.821 30.729 16.282 121 HE2 LYS 15 HE2 LYS 15 -13.206 28.768 14.761 122 HE3 LYS 15 HE3 LYS 15 -13.318 28.322 16.462 123 HZ1 LYS 15 HZ1 LYS 15 -15.077 29.732 16.295 124 HZ2 LYS 15 HZ2 LYS 15 -14.371 30.680 15.086 125 HZ3 LYS 15 HZ3 LYS 15 -13.881 30.859 16.695 126 H HIS 16 H HIS 16 -9.172 28.564 13.335 127 HA HIS 16 HA HIS 16 -6.950 29.678 11.801 128 HB2 HIS 16 HB2 HIS 16 -7.421 30.646 14.305 129 HB3 HIS 16 HB3 HIS 16 -6.335 29.305 14.660 130 HD1 HIS 16 HD1 HIS 16 -4.136 30.377 15.062 131 HD2 HIS 16 HD2 HIS 16 -6.025 31.913 11.695 132 HE1 HIS 16 HE1 HIS 16 -2.474 31.950 14.017 133 H MET 17 H MET 17 -8.275 27.162 11.641 134 HA MET 17 HA MET 17 -5.982 25.430 12.076 135 HB2 MET 17 HB2 MET 17 -8.603 24.319 12.960 136 HB3 MET 17 HB3 MET 17 -6.975 23.889 13.468 137 HG2 MET 17 HG2 MET 17 -6.824 25.927 14.778 138 HG3 MET 17 HG3 MET 17 -8.432 26.406 14.238 139 HE1 MET 17 HE1 MET 17 -9.095 26.397 17.375 140 HE2 MET 17 HE2 MET 17 -9.841 26.642 15.796 141 HE3 MET 17 HE3 MET 17 -10.507 25.448 16.910 142 H ARG 18 H ARG 18 -6.619 23.117 11.214 143 HA ARG 18 HA ARG 18 -8.583 23.056 9.130 144 HB2 ARG 18 HB2 ARG 18 -6.499 24.361 8.247 145 HB3 ARG 18 HB3 ARG 18 -5.767 22.765 8.145 146 HG2 ARG 18 HG2 ARG 18 -7.161 22.080 6.458 147 HG3 ARG 18 HG3 ARG 18 -8.440 23.207 6.912 148 HD2 ARG 18 HD2 ARG 18 -6.936 23.607 4.779 149 HD3 ARG 18 HD3 ARG 18 -7.501 24.947 5.775 150 HE ARG 18 HE ARG 18 -4.940 23.884 6.560 151 HH11 ARG 18 HH11 ARG 18 -6.617 26.167 4.536 152 HH12 ARG 18 HH12 ARG 18 -5.251 27.219 4.367 153 HH21 ARG 18 HH21 ARG 18 -3.135 25.261 6.346 154 HH22 ARG 18 HH22 ARG 18 -3.271 26.703 5.397 155 H PHE 19 H PHE 19 -9.266 21.026 8.943 156 HA PHE 19 HA PHE 19 -7.419 18.855 9.689 157 HB2 PHE 19 HB2 PHE 19 -10.330 19.227 10.366 158 HB3 PHE 19 HB3 PHE 19 -9.567 17.640 10.411 159 HD1 PHE 19 HD1 PHE 19 -8.665 21.078 11.562 160 HD2 PHE 19 HD2 PHE 19 -9.028 16.947 12.520 161 HE1 PHE 19 HE1 PHE 19 -7.855 21.538 13.839 162 HE2 PHE 19 HE2 PHE 19 -8.220 17.401 14.799 163 HZ PHE 19 HZ PHE 19 -7.633 19.699 15.462 164 H LEU 20 H LEU 20 -8.136 16.697 8.802 165 HA LEU 20 HA LEU 20 -9.432 16.978 6.179 166 HB2 LEU 20 HB2 LEU 20 -6.689 16.328 6.718 167 HB3 LEU 20 HB3 LEU 20 -7.488 14.961 5.944 168 HG LEU 20 HG LEU 20 -6.468 16.247 4.231 169 HD11 LEU 20 HD11 LEU 20 -8.244 15.953 2.942 170 HD12 LEU 20 HD12 LEU 20 -8.980 17.420 3.587 171 HD13 LEU 20 HD13 LEU 20 -9.265 15.870 4.379 172 HD21 LEU 20 HD21 LEU 20 -6.239 18.323 5.589 173 HD22 LEU 20 HD22 LEU 20 -7.935 18.673 5.255 174 HD23 LEU 20 HD23 LEU 20 -6.771 18.603 3.931 175 H ILE 21 H ILE 21 -11.239 15.821 6.359 176 HA ILE 21 HA ILE 21 -11.286 13.398 7.971 177 HB ILE 21 HB ILE 21 -13.776 13.533 6.906 178 HG12 ILE 21 HG12 ILE 21 -12.881 15.737 5.802 179 HG13 ILE 21 HG13 ILE 21 -14.497 15.698 6.499 180 HG21 ILE 21 HG21 ILE 21 -13.701 13.325 9.180 181 HG22 ILE 21 HG22 ILE 21 -12.524 14.624 9.371 182 HG23 ILE 21 HG23 ILE 21 -14.215 15.007 9.050 183 HD11 ILE 21 HD11 ILE 21 -12.853 17.671 6.993 184 HD12 ILE 21 HD12 ILE 21 -13.918 17.043 8.251 185 HD13 ILE 21 HD13 ILE 21 -12.223 16.559 8.207 186 H THR 22 H THR 22 -11.139 11.409 7.169 187 HA THR 22 HA THR 22 -10.775 11.021 4.341 188 HB THR 22 HB THR 22 -11.005 8.779 6.329 189 HG1 THR 22 HG1 THR 22 -9.508 9.937 7.375 190 HG21 THR 22 HG21 THR 22 -9.969 7.529 4.762 191 HG22 THR 22 HG22 THR 22 -8.888 8.839 4.287 192 HG23 THR 22 HG23 THR 22 -10.533 8.780 3.655 193 H HIS 23 H HIS 23 -12.989 11.768 3.801 194 HA HIS 23 HA HIS 23 -15.330 10.465 4.528 195 HB2 HIS 23 HB2 HIS 23 -14.472 12.218 2.335 196 HB3 HIS 23 HB3 HIS 23 -15.808 11.151 1.912 197 HD1 HIS 23 HD1 HIS 23 -17.450 13.145 1.801 198 HD2 HIS 23 HD2 HIS 23 -15.688 12.599 5.523 199 HE1 HIS 23 HE1 HIS 23 -18.775 14.577 3.389 200 H ASN 24 H ASN 24 -13.939 10.043 1.286 201 HA ASN 24 HA ASN 24 -15.110 7.437 1.047 202 HB2 ASN 24 HB2 ASN 24 -13.035 8.515 -0.838 203 HB3 ASN 24 HB3 ASN 24 -14.419 7.484 -1.187 204 HD21 ASN 24 HD21 ASN 24 -16.548 8.671 -0.330 205 HD22 ASN 24 HD22 ASN 24 -16.737 10.264 -0.973 206 HA PRO 25 HA PRO 25 -11.819 4.929 2.520 207 HB2 PRO 25 HB2 PRO 25 -12.133 2.728 0.962 208 HB3 PRO 25 HB3 PRO 25 -13.243 3.143 2.273 209 HG2 PRO 25 HG2 PRO 25 -13.530 3.610 -0.670 210 HG3 PRO 25 HG3 PRO 25 -14.738 3.038 0.495 211 HD2 PRO 25 HD2 PRO 25 -14.648 5.603 -0.368 212 HD3 PRO 25 HD3 PRO 25 -15.187 5.163 1.265 213 H THR 26 H THR 26 -9.689 4.798 2.152 214 HA THR 26 HA THR 26 -8.505 4.154 -0.325 215 HB THR 26 HB THR 26 -9.227 6.425 -0.949 216 HG1 THR 26 HG1 THR 26 -7.001 5.399 -1.437 217 HG21 THR 26 HG21 THR 26 -7.264 7.655 0.912 218 HG22 THR 26 HG22 THR 26 -8.825 7.169 1.575 219 HG23 THR 26 HG23 THR 26 -8.753 8.317 0.238 220 H ASN 27 H ASN 27 -8.320 3.526 2.508 221 HA ASN 27 HA ASN 27 -5.444 4.018 2.857 222 HB2 ASN 27 HB2 ASN 27 -5.674 4.467 5.174 223 HB3 ASN 27 HB3 ASN 27 -6.895 5.456 4.379 224 HD21 ASN 27 HD21 ASN 27 -6.590 4.147 7.108 225 HD22 ASN 27 HD22 ASN 27 -8.109 3.364 7.359 226 H ALA 28 H ALA 28 -7.035 1.751 1.806 227 HA ALA 28 HA ALA 28 -6.862 -0.320 3.808 228 HB1 ALA 28 HB1 ALA 28 -7.337 -0.670 0.855 229 HB2 ALA 28 HB2 ALA 28 -7.755 -1.782 2.159 230 HB3 ALA 28 HB3 ALA 28 -8.606 -0.245 2.004 231 H THR 29 H THR 29 -4.707 1.146 1.666 232 HA THR 29 HA THR 29 -2.882 -1.164 1.835 233 HB THR 29 HB THR 29 -3.236 -0.967 -0.458 234 HG1 THR 29 HG1 THR 29 -1.005 -0.862 -0.049 235 HG21 THR 29 HG21 THR 29 -3.335 1.164 -1.671 236 HG22 THR 29 HG22 THR 29 -3.102 2.036 -0.156 237 HG23 THR 29 HG23 THR 29 -4.564 1.084 -0.409 238 H LEU 30 H LEU 30 -3.372 2.203 2.404 239 HA LEU 30 HA LEU 30 -2.172 3.716 3.615 240 HB2 LEU 30 HB2 LEU 30 -1.536 1.494 4.841 241 HB3 LEU 30 HB3 LEU 30 0.024 1.744 4.061 242 HG LEU 30 HG LEU 30 -0.053 4.079 5.160 243 HD11 LEU 30 HD11 LEU 30 -1.480 4.476 6.904 244 HD12 LEU 30 HD12 LEU 30 -1.754 2.763 7.218 245 HD13 LEU 30 HD13 LEU 30 -2.531 3.542 5.839 246 HD21 LEU 30 HD21 LEU 30 1.369 2.037 5.754 247 HD22 LEU 30 HD22 LEU 30 0.221 1.779 7.069 248 HD23 LEU 30 HD23 LEU 30 1.155 3.274 6.994 249 H SER 31 H SER 31 -1.471 2.618 0.735 250 HA SER 31 HA SER 31 1.211 3.654 0.398 251 HB2 SER 31 HB2 SER 31 -0.791 2.307 -1.374 252 HB3 SER 31 HB3 SER 31 0.521 3.226 -2.112 253 HG SER 31 HG SER 31 0.959 1.244 -0.139 254 H THR 32 H THR 32 -1.919 4.409 -1.142 255 HA THR 32 HA THR 32 -0.966 7.015 -1.942 256 HB THR 32 HB THR 32 -3.784 5.948 -2.164 257 HG1 THR 32 HG1 THR 32 -1.925 4.703 -3.191 258 HG21 THR 32 HG21 THR 32 -2.309 8.039 -3.770 259 HG22 THR 32 HG22 THR 32 -3.494 8.376 -2.509 260 HG23 THR 32 HG23 THR 32 -3.988 7.545 -3.984 261 H PHE 33 H PHE 33 -2.608 5.676 0.742 262 HA PHE 33 HA PHE 33 -4.213 7.806 1.569 263 HB2 PHE 33 HB2 PHE 33 -4.575 5.850 2.768 264 HB3 PHE 33 HB3 PHE 33 -2.855 5.547 2.990 265 HD1 PHE 33 HD1 PHE 33 -5.266 8.267 3.852 266 HD2 PHE 33 HD2 PHE 33 -2.134 5.695 5.153 267 HE1 PHE 33 HE1 PHE 33 -5.386 9.263 6.099 268 HE2 PHE 33 HE2 PHE 33 -2.250 6.686 7.402 269 HZ PHE 33 HZ PHE 33 -3.878 8.471 7.878 270 H ILE 34 H ILE 34 -0.887 7.019 2.585 271 HA ILE 34 HA ILE 34 -0.449 9.249 4.186 272 HB ILE 34 HB ILE 34 1.639 7.880 2.489 273 HG12 ILE 34 HG12 ILE 34 0.860 7.174 5.318 274 HG13 ILE 34 HG13 ILE 34 0.180 6.355 3.916 275 HG21 ILE 34 HG21 ILE 34 1.711 9.933 4.549 276 HG22 ILE 34 HG22 ILE 34 2.754 8.560 4.911 277 HG23 ILE 34 HG23 ILE 34 2.951 9.441 3.397 278 HD11 ILE 34 HD11 ILE 34 2.314 5.512 3.285 279 HD12 ILE 34 HD12 ILE 34 3.124 6.503 4.500 280 HD13 ILE 34 HD13 ILE 34 2.080 5.173 5.000 281 H GLU 35 H GLU 35 0.011 8.838 0.703 282 HA GLU 35 HA GLU 35 1.223 11.348 0.238 283 HB2 GLU 35 HB2 GLU 35 -0.467 9.871 -1.769 284 HB3 GLU 35 HB3 GLU 35 0.914 10.917 -2.069 285 HG2 GLU 35 HG2 GLU 35 1.854 8.853 -0.425 286 HG3 GLU 35 HG3 GLU 35 0.835 8.087 -1.642 287 H ASP 36 H ASP 36 -2.098 10.319 0.529 288 HA ASP 36 HA ASP 36 -3.335 12.564 -0.644 289 HB2 ASP 36 HB2 ASP 36 -4.300 10.238 0.160 290 HB3 ASP 36 HB3 ASP 36 -4.628 11.135 1.640 291 H LEU 37 H LEU 37 -2.701 11.803 2.780 292 HA LEU 37 HA LEU 37 -3.555 14.368 3.695 293 HB2 LEU 37 HB2 LEU 37 -2.692 13.668 5.855 294 HB3 LEU 37 HB3 LEU 37 -3.667 12.399 5.118 295 HG LEU 37 HG LEU 37 -1.320 11.502 4.334 296 HD11 LEU 37 HD11 LEU 37 0.105 11.999 6.576 297 HD12 LEU 37 HD12 LEU 37 -0.675 13.561 6.329 298 HD13 LEU 37 HD13 LEU 37 0.319 12.861 5.052 299 HD21 LEU 37 HD21 LEU 37 -2.783 11.197 6.901 300 HD22 LEU 37 HD22 LEU 37 -1.197 10.439 6.755 301 HD23 LEU 37 HD23 LEU 37 -2.482 10.022 5.621 302 H LYS 38 H LYS 38 -0.620 13.119 2.424 303 HA LYS 38 HA LYS 38 1.071 15.150 3.592 304 HB2 LYS 38 HB2 LYS 38 1.460 12.854 1.726 305 HB3 LYS 38 HB3 LYS 38 2.656 14.144 1.719 306 HG2 LYS 38 HG2 LYS 38 2.623 13.768 4.312 307 HG3 LYS 38 HG3 LYS 38 1.990 12.184 3.856 308 HD2 LYS 38 HD2 LYS 38 4.561 13.404 2.850 309 HD3 LYS 38 HD3 LYS 38 4.434 12.163 4.098 310 HE2 LYS 38 HE2 LYS 38 4.651 10.695 2.426 311 HE3 LYS 38 HE3 LYS 38 2.979 11.093 2.032 312 HZ1 LYS 38 HZ1 LYS 38 4.691 13.019 0.898 313 HZ2 LYS 38 HZ2 LYS 38 3.643 11.945 0.117 314 HZ3 LYS 38 HZ3 LYS 38 5.233 11.478 0.455 315 H LYS 39 H LYS 39 -0.439 14.496 0.467 316 HA LYS 39 HA LYS 39 0.769 16.688 -0.889 317 HB2 LYS 39 HB2 LYS 39 -0.743 16.203 -2.683 318 HB3 LYS 39 HB3 LYS 39 -0.212 14.671 -2.003 319 HG2 LYS 39 HG2 LYS 39 -2.298 14.431 -0.811 320 HG3 LYS 39 HG3 LYS 39 -2.828 16.020 -1.367 321 HD2 LYS 39 HD2 LYS 39 -2.124 13.776 -3.247 322 HD3 LYS 39 HD3 LYS 39 -3.757 14.034 -2.628 323 HE2 LYS 39 HE2 LYS 39 -4.115 15.798 -3.971 324 HE3 LYS 39 HE3 LYS 39 -2.489 16.434 -3.731 325 HZ1 LYS 39 HZ1 LYS 39 -2.716 15.821 -6.001 326 HZ2 LYS 39 HZ2 LYS 39 -3.312 14.288 -5.606 327 HZ3 LYS 39 HZ3 LYS 39 -1.699 14.678 -5.278 328 H TYR 40 H TYR 40 -2.227 16.252 0.902 329 HA TYR 40 HA TYR 40 -3.380 18.748 0.176 330 HB2 TYR 40 HB2 TYR 40 -3.966 16.596 2.126 331 HB3 TYR 40 HB3 TYR 40 -4.601 18.190 2.517 332 HD1 TYR 40 HD2 TYR 40 -4.457 15.749 -0.303 333 HD2 TYR 40 HD1 TYR 40 -6.650 18.832 1.643 334 HE1 TYR 40 HE2 TYR 40 -6.343 15.367 -1.835 335 HE2 TYR 40 HE1 TYR 40 -8.542 18.458 0.117 336 HH TYR 40 HH TYR 40 -8.294 16.656 -2.711 337 H GLY 41 H GLY 41 -0.737 18.012 2.076 338 HA2 GLY 41 HA2 GLY 41 0.647 19.545 3.165 339 HA3 GLY 41 HA3 GLY 41 -0.660 20.720 3.123 340 H ALA 42 H ALA 42 -1.264 17.518 4.310 341 HA ALA 42 HA ALA 42 -1.679 18.639 6.987 342 HB1 ALA 42 HB1 ALA 42 -2.573 15.912 6.128 343 HB2 ALA 42 HB2 ALA 42 -3.242 16.961 7.378 344 HB3 ALA 42 HB3 ALA 42 -3.484 17.352 5.676 345 H THR 43 H THR 43 -0.088 18.377 8.397 346 HA THR 43 HA THR 43 1.850 16.236 8.055 347 HB THR 43 HB THR 43 3.128 17.327 9.818 348 HG1 THR 43 HG1 THR 43 1.446 18.084 11.133 349 HG21 THR 43 HG21 THR 43 3.725 19.294 8.660 350 HG22 THR 43 HG22 THR 43 2.097 19.505 8.016 351 HG23 THR 43 HG23 THR 43 3.118 18.196 7.422 352 H THR 44 H THR 44 -0.878 15.582 8.865 353 HA THR 44 HA THR 44 -0.212 14.117 11.311 354 HB THR 44 HB THR 44 -2.943 14.757 11.565 355 HG1 THR 44 HG1 THR 44 -1.381 17.118 11.250 356 HG21 THR 44 HG21 THR 44 -0.748 16.099 13.114 357 HG22 THR 44 HG22 THR 44 -1.063 14.372 13.285 358 HG23 THR 44 HG23 THR 44 -2.322 15.541 13.679 359 H VAL 45 H VAL 45 -1.061 12.085 11.417 360 HA VAL 45 HA VAL 45 -2.290 11.071 8.990 361 HB VAL 45 HB VAL 45 -1.691 9.402 11.412 362 HG11 VAL 45 HG11 VAL 45 -1.052 7.820 9.458 363 HG12 VAL 45 HG12 VAL 45 -2.756 8.109 9.813 364 HG13 VAL 45 HG13 VAL 45 -1.980 8.948 8.470 365 HG21 VAL 45 HG21 VAL 45 0.290 10.368 9.354 366 HG22 VAL 45 HG22 VAL 45 0.317 10.691 11.088 367 HG23 VAL 45 HG23 VAL 45 0.588 9.053 10.492 368 H VAL 46 H VAL 46 -4.264 9.991 8.888 369 HA VAL 46 HA VAL 46 -6.260 10.946 10.728 370 HB VAL 46 HB VAL 46 -7.873 10.135 9.249 371 HG11 VAL 46 HG11 VAL 46 -6.897 11.880 8.087 372 HG12 VAL 46 HG12 VAL 46 -5.391 10.999 7.821 373 HG13 VAL 46 HG13 VAL 46 -6.838 10.571 6.908 374 HG21 VAL 46 HG21 VAL 46 -5.817 8.093 8.566 375 HG22 VAL 46 HG22 VAL 46 -7.526 7.889 8.948 376 HG23 VAL 46 HG23 VAL 46 -7.043 8.494 7.364 377 H ARG 47 H ARG 47 -4.408 9.304 12.036 378 HA ARG 47 HA ARG 47 -5.286 6.626 12.293 379 HB2 ARG 47 HB2 ARG 47 -3.926 8.065 14.537 380 HB3 ARG 47 HB3 ARG 47 -3.705 6.412 13.978 381 HG2 ARG 47 HG2 ARG 47 -2.884 7.833 11.808 382 HG3 ARG 47 HG3 ARG 47 -2.381 8.880 13.137 383 HD2 ARG 47 HD2 ARG 47 -0.595 7.575 13.372 384 HD3 ARG 47 HD3 ARG 47 -1.681 6.311 13.948 385 HE ARG 47 HE ARG 47 -0.465 6.510 11.317 386 HH11 ARG 47 HH11 ARG 47 -2.799 4.950 13.375 387 HH12 ARG 47 HH12 ARG 47 -2.931 3.540 12.377 388 HH21 ARG 47 HH21 ARG 47 -0.629 4.658 9.995 389 HH22 ARG 47 HH22 ARG 47 -1.695 3.374 10.455 390 H VAL 48 H VAL 48 -6.932 9.336 13.001 391 HA VAL 48 HA VAL 48 -7.955 8.840 15.595 392 HB VAL 48 HB VAL 48 -9.313 10.334 13.349 393 HG11 VAL 48 HG11 VAL 48 -10.263 9.637 15.853 394 HG12 VAL 48 HG12 VAL 48 -9.711 11.301 16.053 395 HG13 VAL 48 HG13 VAL 48 -10.897 10.908 14.807 396 HG21 VAL 48 HG21 VAL 48 -8.294 12.328 14.652 397 HG22 VAL 48 HG22 VAL 48 -7.152 11.130 15.261 398 HG23 VAL 48 HG23 VAL 48 -7.275 11.428 13.528 399 H CYS 49 H CYS 49 -8.352 6.530 15.446 400 HA CYS 49 HA CYS 49 -11.030 5.864 15.234 401 HB2 CYS 49 HB2 CYS 49 -10.902 4.364 13.175 402 HB3 CYS 49 HB3 CYS 49 -10.999 6.096 12.881 403 HG CYS 49 HG CYS 49 -8.532 3.940 12.166 404 H GLU 50 H GLU 50 -10.978 3.205 14.500 405 HA GLU 50 HA GLU 50 -9.679 2.042 16.760 406 HB2 GLU 50 HB2 GLU 50 -11.880 1.310 15.683 407 HB3 GLU 50 HB3 GLU 50 -10.894 0.525 14.458 408 HG2 GLU 50 HG2 GLU 50 -10.970 -1.253 15.792 409 HG3 GLU 50 HG3 GLU 50 -9.774 -0.402 16.767 410 H VAL 51 H VAL 51 -7.593 3.094 15.642 411 HA VAL 51 HA VAL 51 -6.320 1.422 13.682 412 HB VAL 51 HB VAL 51 -4.294 2.815 14.191 413 HG11 VAL 51 HG11 VAL 51 -6.501 4.737 13.707 414 HG12 VAL 51 HG12 VAL 51 -5.005 4.476 12.807 415 HG13 VAL 51 HG13 VAL 51 -6.360 3.363 12.611 416 HG21 VAL 51 HG21 VAL 51 -5.978 4.705 15.732 417 HG22 VAL 51 HG22 VAL 51 -5.373 3.284 16.583 418 HG23 VAL 51 HG23 VAL 51 -4.242 4.401 15.819 419 H THR 52 H THR 52 -4.709 -0.068 13.970 420 HA THR 52 HA THR 52 -3.661 -0.589 16.629 421 HB THR 52 HB THR 52 -4.322 -2.901 16.724 422 HG1 THR 52 HG1 THR 52 -4.657 -3.799 14.833 423 HG21 THR 52 HG21 THR 52 -6.705 -2.690 17.053 424 HG22 THR 52 HG22 THR 52 -6.756 -1.256 16.028 425 HG23 THR 52 HG23 THR 52 -5.920 -1.202 17.579 426 H TYR 53 H TYR 53 -2.568 0.277 14.073 427 HA TYR 53 HA TYR 53 -0.664 -1.928 13.646 428 HB2 TYR 53 HB2 TYR 53 -1.449 -2.043 11.542 429 HB3 TYR 53 HB3 TYR 53 -2.332 -0.529 11.701 430 HD1 TYR 53 HD2 TYR 53 -1.268 1.599 11.112 431 HD2 TYR 53 HD1 TYR 53 0.765 -2.102 10.589 432 HE1 TYR 53 HE2 TYR 53 0.370 2.712 9.654 433 HE2 TYR 53 HE1 TYR 53 2.410 -0.999 9.130 434 HH TYR 53 HH TYR 53 2.630 0.963 7.757 435 H ASP 54 H ASP 54 1.370 -1.394 14.062 436 HA ASP 54 HA ASP 54 2.200 1.040 15.059 437 HB2 ASP 54 HB2 ASP 54 3.593 -1.332 13.928 438 HB3 ASP 54 HB3 ASP 54 4.539 0.141 14.122 439 H LYS 55 H LYS 55 3.185 2.853 14.235 440 HA LYS 55 HA LYS 55 2.701 3.358 11.411 441 HB2 LYS 55 HB2 LYS 55 3.520 5.711 12.130 442 HB3 LYS 55 HB3 LYS 55 1.947 5.152 12.686 443 HG2 LYS 55 HG2 LYS 55 4.171 4.495 14.476 444 HG3 LYS 55 HG3 LYS 55 3.868 6.222 14.274 445 HD2 LYS 55 HD2 LYS 55 2.043 6.117 15.548 446 HD3 LYS 55 HD3 LYS 55 1.394 4.774 14.604 447 HE2 LYS 55 HE2 LYS 55 2.005 3.269 16.140 448 HE3 LYS 55 HE3 LYS 55 3.606 3.984 16.324 449 HZ1 LYS 55 HZ1 LYS 55 2.804 5.513 17.896 450 HZ2 LYS 55 HZ2 LYS 55 2.129 4.028 18.342 451 HZ3 LYS 55 HZ3 LYS 55 1.184 5.179 17.539 452 H THR 56 H THR 56 4.256 2.614 10.102 453 HA THR 56 HA THR 56 7.061 2.891 10.897 454 HB THR 56 HB THR 56 7.378 0.947 9.862 455 HG1 THR 56 HG1 THR 56 6.683 0.865 7.506 456 HG21 THR 56 HG21 THR 56 5.047 0.492 10.538 457 HG22 THR 56 HG22 THR 56 5.492 -0.360 9.059 458 HG23 THR 56 HG23 THR 56 4.494 1.091 8.974 459 HA PRO 57 HA PRO 57 6.980 5.049 6.572 460 HB2 PRO 57 HB2 PRO 57 4.547 5.509 5.459 461 HB3 PRO 57 HB3 PRO 57 5.467 4.026 5.179 462 HG2 PRO 57 HG2 PRO 57 3.196 4.520 7.067 463 HG3 PRO 57 HG3 PRO 57 3.489 3.127 6.009 464 HD2 PRO 57 HD2 PRO 57 4.048 3.087 8.658 465 HD3 PRO 57 HD3 PRO 57 5.000 2.177 7.468 466 H LEU 58 H LEU 58 3.713 6.021 7.568 467 HA LEU 58 HA LEU 58 4.064 8.735 7.421 468 HB2 LEU 58 HB2 LEU 58 2.128 8.978 8.784 469 HB3 LEU 58 HB3 LEU 58 1.915 7.540 7.787 470 HG LEU 58 HG LEU 58 1.058 7.072 9.963 471 HD11 LEU 58 HD11 LEU 58 3.750 5.757 9.984 472 HD12 LEU 58 HD12 LEU 58 2.557 5.381 8.742 473 HD13 LEU 58 HD13 LEU 58 2.181 5.091 10.440 474 HD21 LEU 58 HD21 LEU 58 2.794 8.895 10.912 475 HD22 LEU 58 HD22 LEU 58 3.623 7.410 11.379 476 HD23 LEU 58 HD23 LEU 58 1.972 7.708 11.925 477 H GLU 59 H GLU 59 5.368 6.584 9.742 478 HA GLU 59 HA GLU 59 5.726 8.451 11.869 479 HB2 GLU 59 HB2 GLU 59 5.766 6.174 12.487 480 HB3 GLU 59 HB3 GLU 59 6.927 5.767 11.232 481 HG2 GLU 59 HG2 GLU 59 7.976 5.726 13.407 482 HG3 GLU 59 HG3 GLU 59 8.654 7.019 12.420 483 H LYS 60 H LYS 60 8.066 6.994 9.602 484 HA LYS 60 HA LYS 60 10.134 8.832 10.283 485 HB2 LYS 60 HB2 LYS 60 9.976 7.168 7.772 486 HB3 LYS 60 HB3 LYS 60 11.420 7.780 8.567 487 HG2 LYS 60 HG2 LYS 60 9.565 5.642 9.591 488 HG3 LYS 60 HG3 LYS 60 11.210 5.426 8.988 489 HD2 LYS 60 HD2 LYS 60 12.109 6.670 10.838 490 HD3 LYS 60 HD3 LYS 60 10.489 7.100 11.392 491 HE2 LYS 60 HE2 LYS 60 10.513 5.283 12.671 492 HE3 LYS 60 HE3 LYS 60 10.511 4.307 11.203 493 HZ1 LYS 60 HZ1 LYS 60 12.342 3.712 12.660 494 HZ2 LYS 60 HZ2 LYS 60 12.929 5.297 12.616 495 HZ3 LYS 60 HZ3 LYS 60 12.926 4.358 11.209 496 H ASP 61 H ASP 61 7.409 9.039 8.274 497 HA ASP 61 HA ASP 61 8.450 10.849 6.324 498 HB2 ASP 61 HB2 ASP 61 6.127 9.380 6.585 499 HB3 ASP 61 HB3 ASP 61 5.575 11.035 6.827 500 H GLY 62 H GLY 62 7.874 11.202 9.572 501 HA2 GLY 62 HA2 GLY 62 8.051 13.093 10.892 502 HA3 GLY 62 HA3 GLY 62 8.166 14.057 9.428 503 H ILE 63 H ILE 63 5.506 11.873 9.819 504 HA ILE 63 HA ILE 63 3.707 14.179 10.041 505 HB ILE 63 HB ILE 63 3.158 11.339 9.176 506 HG12 ILE 63 HG12 ILE 63 2.775 13.775 7.478 507 HG13 ILE 63 HG13 ILE 63 4.394 13.118 7.682 508 HG21 ILE 63 HG21 ILE 63 0.899 12.065 8.676 509 HG22 ILE 63 HG22 ILE 63 1.254 12.314 10.385 510 HG23 ILE 63 HG23 ILE 63 1.264 13.683 9.274 511 HD11 ILE 63 HD11 ILE 63 3.923 11.788 5.974 512 HD12 ILE 63 HD12 ILE 63 2.855 10.909 7.069 513 HD13 ILE 63 HD13 ILE 63 2.206 12.186 6.041 514 H THR 64 H THR 64 2.484 14.518 11.789 515 HA THR 64 HA THR 64 2.925 13.079 14.177 516 HB THR 64 HB THR 64 0.917 15.180 13.401 517 HG1 THR 64 HG1 THR 64 2.205 16.176 15.238 518 HG21 THR 64 HG21 THR 64 -0.268 13.812 14.979 519 HG22 THR 64 HG22 THR 64 0.289 15.259 15.820 520 HG23 THR 64 HG23 THR 64 1.139 13.729 16.037 521 H VAL 65 H VAL 65 1.997 11.302 14.959 522 HA VAL 65 HA VAL 65 -0.090 9.994 13.447 523 HB VAL 65 HB VAL 65 1.305 8.351 14.161 524 HG11 VAL 65 HG11 VAL 65 2.344 8.433 16.523 525 HG12 VAL 65 HG12 VAL 65 2.959 9.534 15.289 526 HG13 VAL 65 HG13 VAL 65 1.837 10.122 16.517 527 HG21 VAL 65 HG21 VAL 65 -1.055 8.176 15.273 528 HG22 VAL 65 HG22 VAL 65 0.219 7.036 15.710 529 HG23 VAL 65 HG23 VAL 65 -0.147 8.399 16.769 530 H VAL 66 H VAL 66 -2.121 10.656 13.728 531 HA VAL 66 HA VAL 66 -3.012 11.444 16.412 532 HB VAL 66 HB VAL 66 -4.532 11.819 13.836 533 HG11 VAL 66 HG11 VAL 66 -5.929 13.247 15.023 534 HG12 VAL 66 HG12 VAL 66 -5.623 11.944 16.173 535 HG13 VAL 66 HG13 VAL 66 -4.757 13.474 16.321 536 HG21 VAL 66 HG21 VAL 66 -3.688 14.127 13.825 537 HG22 VAL 66 HG22 VAL 66 -2.628 13.737 15.180 538 HG23 VAL 66 HG23 VAL 66 -2.391 12.950 13.620 539 H ASP 67 H ASP 67 -3.245 9.327 17.240 540 HA ASP 67 HA ASP 67 -5.426 7.756 16.037 541 HB2 ASP 67 HB2 ASP 67 -4.422 5.918 17.585 542 HB3 ASP 67 HB3 ASP 67 -3.596 6.319 16.081 543 H TRP 68 H TRP 68 -7.307 7.874 17.048 544 HA TRP 68 HA TRP 68 -7.361 7.974 19.972 545 HB2 TRP 68 HB2 TRP 68 -9.018 9.837 18.259 546 HB3 TRP 68 HB3 TRP 68 -8.974 9.777 20.019 547 HD1 TRP 68 HD1 TRP 68 -7.748 11.866 17.387 548 HE1 TRP 68 HE1 TRP 68 -5.638 13.169 18.073 549 HE3 TRP 68 HE3 TRP 68 -6.442 9.173 21.532 550 HZ2 TRP 68 HZ2 TRP 68 -3.678 13.069 20.102 551 HZ3 TRP 68 HZ3 TRP 68 -4.436 9.842 22.789 552 HH2 TRP 68 HH2 TRP 68 -3.083 11.749 22.087 553 HA PRO 69 HA PRO 69 -10.468 4.903 19.362 554 HB2 PRO 69 HB2 PRO 69 -11.538 4.931 21.857 555 HB3 PRO 69 HB3 PRO 69 -9.969 4.203 21.492 556 HG2 PRO 69 HG2 PRO 69 -10.585 6.889 22.660 557 HG3 PRO 69 HG3 PRO 69 -9.339 5.721 23.137 558 HD2 PRO 69 HD2 PRO 69 -8.793 7.891 21.613 559 HD3 PRO 69 HD3 PRO 69 -7.913 6.358 21.442 560 H PHE 70 H PHE 70 -11.257 7.202 18.153 561 HA PHE 70 HA PHE 70 -13.887 7.854 19.283 562 HB2 PHE 70 HB2 PHE 70 -11.893 9.352 17.769 563 HB3 PHE 70 HB3 PHE 70 -13.509 9.503 17.088 564 HD1 PHE 70 HD2 PHE 70 -15.096 9.319 19.622 565 HD2 PHE 70 HD1 PHE 70 -11.562 11.488 18.660 566 HE1 PHE 70 HE2 PHE 70 -15.660 10.992 21.336 567 HE2 PHE 70 HE1 PHE 70 -12.120 13.164 20.373 568 HZ PHE 70 HZ PHE 70 -14.172 12.918 21.712 569 H ASP 71 H ASP 71 -12.861 5.494 17.521 570 HA ASP 71 HA ASP 71 -14.124 5.612 15.030 571 HB2 ASP 71 HB2 ASP 71 -12.582 3.850 15.380 572 HB3 ASP 71 HB3 ASP 71 -13.413 3.305 16.834 573 H ASP 72 H ASP 72 -15.305 3.662 17.767 574 HA ASP 72 HA ASP 72 -18.049 4.282 16.893 575 HB2 ASP 72 HB2 ASP 72 -17.444 1.903 16.685 576 HB3 ASP 72 HB3 ASP 72 -17.046 1.857 18.400 577 H GLY 73 H GLY 73 -15.780 4.588 19.420 578 HA2 GLY 73 HA2 GLY 73 -17.191 6.355 20.960 579 HA3 GLY 73 HA3 GLY 73 -17.653 4.780 21.587 580 H ALA 74 H ALA 74 -15.913 7.174 22.512 581 HA ALA 74 HA ALA 74 -13.336 5.943 22.938 582 HB1 ALA 74 HB1 ALA 74 -14.126 8.357 24.463 583 HB2 ALA 74 HB2 ALA 74 -12.616 7.983 23.631 584 HB3 ALA 74 HB3 ALA 74 -14.027 8.500 22.708 585 HA PRO 75 HA PRO 75 -14.613 3.811 26.620 586 HB2 PRO 75 HB2 PRO 75 -12.142 2.948 27.341 587 HB3 PRO 75 HB3 PRO 75 -13.074 2.209 26.033 588 HG2 PRO 75 HG2 PRO 75 -10.854 4.212 25.881 589 HG3 PRO 75 HG3 PRO 75 -11.135 2.775 24.881 590 HD2 PRO 75 HD2 PRO 75 -11.772 5.273 24.053 591 HD3 PRO 75 HD3 PRO 75 -12.701 3.840 23.568 592 HA PRO 76 HA PRO 76 -11.659 6.667 29.276 593 HB2 PRO 76 HB2 PRO 76 -11.051 9.006 28.039 594 HB3 PRO 76 HB3 PRO 76 -10.025 7.570 27.937 595 HG2 PRO 76 HG2 PRO 76 -12.029 8.611 25.971 596 HG3 PRO 76 HG3 PRO 76 -10.406 7.958 25.676 597 HD2 PRO 76 HD2 PRO 76 -12.655 6.496 25.304 598 HD3 PRO 76 HD3 PRO 76 -11.121 5.772 25.829 599 HA PRO 77 HA PRO 77 -15.439 8.755 30.353 600 HB2 PRO 77 HB2 PRO 77 -14.642 9.577 32.815 601 HB3 PRO 77 HB3 PRO 77 -15.117 7.910 32.465 602 HG2 PRO 77 HG2 PRO 77 -12.376 9.098 32.664 603 HG3 PRO 77 HG3 PRO 77 -12.976 7.556 33.302 604 HD2 PRO 77 HD2 PRO 77 -11.529 7.724 31.019 605 HD3 PRO 77 HD3 PRO 77 -12.786 6.495 31.264 606 H GLY 78 H GLY 78 -15.235 10.450 28.791 607 HA2 GLY 78 HA2 GLY 78 -14.946 12.622 28.100 608 HA3 GLY 78 HA3 GLY 78 -15.137 13.022 29.800 609 H LYS 79 H LYS 79 -12.504 10.994 28.848 610 HA LYS 79 HA LYS 79 -10.627 13.044 29.699 611 HB2 LYS 79 HB2 LYS 79 -10.647 10.447 30.243 612 HB3 LYS 79 HB3 LYS 79 -9.735 10.362 28.741 613 HG2 LYS 79 HG2 LYS 79 -8.186 10.471 30.544 614 HG3 LYS 79 HG3 LYS 79 -8.139 12.018 29.695 615 HD2 LYS 79 HD2 LYS 79 -8.905 13.154 31.477 616 HD3 LYS 79 HD3 LYS 79 -10.080 11.902 31.890 617 HE2 LYS 79 HE2 LYS 79 -8.314 12.249 33.612 618 HE3 LYS 79 HE3 LYS 79 -8.402 10.601 32.994 619 HZ1 LYS 79 HZ1 LYS 79 -6.137 11.969 33.196 620 HZ2 LYS 79 HZ2 LYS 79 -6.569 12.383 31.614 621 HZ3 LYS 79 HZ3 LYS 79 -6.383 10.756 32.041 622 H VAL 80 H VAL 80 -11.813 11.658 26.788 623 HA VAL 80 HA VAL 80 -9.734 11.875 25.008 624 HB VAL 80 HB VAL 80 -12.590 12.696 24.460 625 HG11 VAL 80 HG11 VAL 80 -11.464 11.455 22.226 626 HG12 VAL 80 HG12 VAL 80 -11.849 13.167 22.417 627 HG13 VAL 80 HG13 VAL 80 -10.233 12.575 22.808 628 HG21 VAL 80 HG21 VAL 80 -12.844 10.346 23.683 629 HG22 VAL 80 HG22 VAL 80 -11.253 9.994 24.358 630 HG23 VAL 80 HG23 VAL 80 -12.570 10.493 25.419 631 H VAL 81 H VAL 81 -11.747 14.449 26.325 632 HA VAL 81 HA VAL 81 -11.230 16.585 24.740 633 HB VAL 81 HB VAL 81 -11.535 18.028 26.598 634 HG11 VAL 81 HG11 VAL 81 -13.536 17.231 27.506 635 HG12 VAL 81 HG12 VAL 81 -13.393 16.376 25.969 636 HG13 VAL 81 HG13 VAL 81 -12.989 15.555 27.478 637 HG21 VAL 81 HG21 VAL 81 -9.847 17.330 28.102 638 HG22 VAL 81 HG22 VAL 81 -11.377 17.123 28.954 639 HG23 VAL 81 HG23 VAL 81 -10.555 15.723 28.266 640 H GLU 82 H GLU 82 -9.028 15.221 27.156 641 HA GLU 82 HA GLU 82 -7.014 17.146 27.015 642 HB2 GLU 82 HB2 GLU 82 -7.236 14.361 27.938 643 HB3 GLU 82 HB3 GLU 82 -5.613 14.847 27.469 644 HG2 GLU 82 HG2 GLU 82 -6.905 16.841 29.122 645 HG3 GLU 82 HG3 GLU 82 -6.825 15.268 29.914 646 H ASP 83 H ASP 83 -7.418 14.149 25.150 647 HA ASP 83 HA ASP 83 -5.076 14.467 23.597 648 HB2 ASP 83 HB2 ASP 83 -7.602 12.915 22.992 649 HB3 ASP 83 HB3 ASP 83 -6.079 12.753 22.122 650 H TRP 84 H TRP 84 -8.380 15.576 23.219 651 HA TRP 84 HA TRP 84 -8.336 16.317 20.534 652 HB2 TRP 84 HB2 TRP 84 -10.160 16.491 22.577 653 HB3 TRP 84 HB3 TRP 84 -9.773 18.185 22.287 654 HD1 TRP 84 HD1 TRP 84 -12.285 15.873 21.311 655 HE1 TRP 84 HE1 TRP 84 -13.286 16.404 19.000 656 HE3 TRP 84 HE3 TRP 84 -8.673 19.046 19.571 657 HZ2 TRP 84 HZ2 TRP 84 -12.631 17.961 16.739 658 HZ3 TRP 84 HZ3 TRP 84 -8.936 20.013 17.324 659 HH2 TRP 84 HH2 TRP 84 -10.875 19.480 15.938 660 H LEU 85 H LEU 85 -7.961 18.561 23.284 661 HA LEU 85 HA LEU 85 -7.029 20.723 21.806 662 HB2 LEU 85 HB2 LEU 85 -6.735 19.908 24.669 663 HB3 LEU 85 HB3 LEU 85 -5.900 21.338 24.064 664 HG LEU 85 HG LEU 85 -7.813 22.558 23.905 665 HD11 LEU 85 HD11 LEU 85 -9.327 19.985 23.492 666 HD12 LEU 85 HD12 LEU 85 -8.913 21.180 22.264 667 HD13 LEU 85 HD13 LEU 85 -10.057 21.589 23.541 668 HD21 LEU 85 HD21 LEU 85 -8.834 22.442 25.925 669 HD22 LEU 85 HD22 LEU 85 -7.524 21.305 26.243 670 HD23 LEU 85 HD23 LEU 85 -9.125 20.707 25.806 671 H SER 86 H SER 86 -5.196 18.170 23.456 672 HA SER 86 HA SER 86 -2.626 19.086 23.055 673 HB2 SER 86 HB2 SER 86 -3.804 16.333 23.231 674 HB3 SER 86 HB3 SER 86 -2.089 16.530 22.873 675 HG SER 86 HG SER 86 -3.397 16.803 25.230 676 H LEU 87 H LEU 87 -4.371 16.813 20.927 677 HA LEU 87 HA LEU 87 -2.510 16.686 18.884 678 HB2 LEU 87 HB2 LEU 87 -4.178 15.147 18.632 679 HB3 LEU 87 HB3 LEU 87 -5.447 16.292 19.065 680 HG LEU 87 HG LEU 87 -5.066 17.357 16.794 681 HD11 LEU 87 HD11 LEU 87 -3.290 14.970 16.593 682 HD12 LEU 87 HD12 LEU 87 -3.044 16.612 15.998 683 HD13 LEU 87 HD13 LEU 87 -4.158 15.530 15.163 684 HD21 LEU 87 HD21 LEU 87 -7.020 16.249 16.700 685 HD22 LEU 87 HD22 LEU 87 -6.352 14.791 17.433 686 HD23 LEU 87 HD23 LEU 87 -6.109 15.105 15.714 687 H VAL 88 H VAL 88 -5.477 18.669 18.783 688 HA VAL 88 HA VAL 88 -4.866 20.166 16.549 689 HB VAL 88 HB VAL 88 -7.058 20.181 17.739 690 HG11 VAL 88 HG11 VAL 88 -6.290 20.466 20.012 691 HG12 VAL 88 HG12 VAL 88 -5.616 22.049 19.618 692 HG13 VAL 88 HG13 VAL 88 -7.362 21.798 19.580 693 HG21 VAL 88 HG21 VAL 88 -7.535 22.581 17.308 694 HG22 VAL 88 HG22 VAL 88 -5.803 22.852 17.112 695 HG23 VAL 88 HG23 VAL 88 -6.661 21.791 15.995 696 H LYS 89 H LYS 89 -3.522 20.370 19.719 697 HA LYS 89 HA LYS 89 -2.414 23.023 19.302 698 HB2 LYS 89 HB2 LYS 89 -2.414 21.056 21.563 699 HB3 LYS 89 HB3 LYS 89 -1.234 22.360 21.545 700 HG2 LYS 89 HG2 LYS 89 -2.831 23.994 21.821 701 HG3 LYS 89 HG3 LYS 89 -4.125 22.988 21.166 702 HD2 LYS 89 HD2 LYS 89 -4.664 22.853 23.374 703 HD3 LYS 89 HD3 LYS 89 -3.518 21.513 23.298 704 HE2 LYS 89 HE2 LYS 89 -3.045 22.909 25.221 705 HE3 LYS 89 HE3 LYS 89 -1.731 23.022 24.051 706 HZ1 LYS 89 HZ1 LYS 89 -2.898 25.135 25.175 707 HZ2 LYS 89 HZ2 LYS 89 -3.831 25.003 23.771 708 HZ3 LYS 89 HZ3 LYS 89 -2.152 25.179 23.657 709 H ALA 90 H ALA 90 -1.500 19.726 18.887 710 HA ALA 90 HA ALA 90 1.342 20.344 18.735 711 HB1 ALA 90 HB1 ALA 90 -0.076 17.724 18.267 712 HB2 ALA 90 HB2 ALA 90 1.664 17.963 18.428 713 HB3 ALA 90 HB3 ALA 90 0.603 18.255 19.805 714 H LYS 91 H LYS 91 -1.022 18.746 16.586 715 HA LYS 91 HA LYS 91 0.403 18.632 14.273 716 HB2 LYS 91 HB2 LYS 91 -1.872 19.095 13.121 717 HB3 LYS 91 HB3 LYS 91 -1.718 17.683 14.159 718 HG2 LYS 91 HG2 LYS 91 -3.501 18.389 15.262 719 HG3 LYS 91 HG3 LYS 91 -2.538 19.747 15.848 720 HD2 LYS 91 HD2 LYS 91 -3.643 20.028 13.126 721 HD3 LYS 91 HD3 LYS 91 -4.822 20.023 14.440 722 HE2 LYS 91 HE2 LYS 91 -2.882 21.686 15.411 723 HE3 LYS 91 HE3 LYS 91 -2.843 22.045 13.686 724 HZ1 LYS 91 HZ1 LYS 91 -4.693 22.919 15.586 725 HZ2 LYS 91 HZ2 LYS 91 -5.518 21.908 14.510 726 HZ3 LYS 91 HZ3 LYS 91 -4.667 23.249 13.927 727 H PHE 92 H PHE 92 -1.086 21.471 15.695 728 HA PHE 92 HA PHE 92 -0.436 23.123 13.397 729 HB2 PHE 92 HB2 PHE 92 -2.410 23.905 14.274 730 HB3 PHE 92 HB3 PHE 92 -1.964 23.493 15.926 731 HD1 PHE 92 HD1 PHE 92 -1.080 25.856 13.189 732 HD2 PHE 92 HD2 PHE 92 -1.335 25.168 17.382 733 HE1 PHE 92 HE1 PHE 92 -0.485 28.206 13.608 734 HE2 PHE 92 HE2 PHE 92 -0.742 27.517 17.807 735 HZ PHE 92 HZ PHE 92 -0.316 29.040 15.919 736 H CYS 93 H CYS 93 0.755 22.470 16.621 737 HA CYS 93 HA CYS 93 2.634 24.657 16.595 738 HB2 CYS 93 HB2 CYS 93 1.664 23.878 18.710 739 HB3 CYS 93 HB3 CYS 93 2.391 22.294 18.468 740 HG CYS 93 HG CYS 93 4.866 22.910 19.145 741 H GLU 94 H GLU 94 2.530 21.575 15.252 742 HA GLU 94 HA GLU 94 5.449 21.290 15.247 743 HB2 GLU 94 HB2 GLU 94 5.048 19.024 14.398 744 HB3 GLU 94 HB3 GLU 94 4.187 19.306 15.905 745 HG2 GLU 94 HG2 GLU 94 2.322 18.643 14.929 746 HG3 GLU 94 HG3 GLU 94 2.426 20.024 13.837 747 H ALA 95 H ALA 95 2.716 21.930 13.189 748 HA ALA 95 HA ALA 95 4.564 22.278 10.920 749 HB1 ALA 95 HB1 ALA 95 3.215 20.328 10.488 750 HB2 ALA 95 HB2 ALA 95 1.739 21.230 10.833 751 HB3 ALA 95 HB3 ALA 95 2.708 21.635 9.417 752 HA PRO 96 HA PRO 96 3.101 26.402 10.571 753 HB2 PRO 96 HB2 PRO 96 3.259 26.793 7.889 754 HB3 PRO 96 HB3 PRO 96 4.683 26.698 8.932 755 HG2 PRO 96 HG2 PRO 96 3.466 24.588 7.192 756 HG3 PRO 96 HG3 PRO 96 5.175 25.002 7.419 757 HD2 PRO 96 HD2 PRO 96 4.010 22.894 8.656 758 HD3 PRO 96 HD3 PRO 96 5.327 23.827 9.396 759 H GLY 97 H GLY 97 0.911 25.932 11.252 760 HA2 GLY 97 HA2 GLY 97 -1.374 25.852 10.990 761 HA3 GLY 97 HA3 GLY 97 -1.072 26.904 9.615 762 H SER 98 H SER 98 0.264 23.708 9.638 763 HA SER 98 HA SER 98 -0.863 22.993 7.184 764 HB2 SER 98 HB2 SER 98 0.421 21.388 9.386 765 HB3 SER 98 HB3 SER 98 -0.202 20.612 7.930 766 HG SER 98 HG SER 98 1.236 21.789 6.706 767 H CYS 99 H CYS 99 -1.924 20.503 7.342 768 HA CYS 99 HA CYS 99 -4.483 20.992 8.711 769 HB2 CYS 99 HB2 CYS 99 -3.968 19.178 6.347 770 HB3 CYS 99 HB3 CYS 99 -5.533 19.608 7.024 771 HG CYS 99 HG CYS 99 -3.792 22.288 6.107 772 H VAL 100 H VAL 100 -5.624 19.114 9.554 773 HA VAL 100 HA VAL 100 -3.757 17.046 10.518 774 HB VAL 100 HB VAL 100 -6.097 17.111 12.134 775 HG11 VAL 100 HG11 VAL 100 -3.945 16.308 12.877 776 HG12 VAL 100 HG12 VAL 100 -3.236 17.910 12.662 777 HG13 VAL 100 HG13 VAL 100 -4.457 17.644 13.907 778 HG21 VAL 100 HG21 VAL 100 -5.895 19.394 13.069 779 HG22 VAL 100 HG22 VAL 100 -4.806 19.810 11.746 780 HG23 VAL 100 HG23 VAL 100 -6.482 19.380 11.405 781 H ALA 101 H ALA 101 -4.069 15.200 9.465 782 HA ALA 101 HA ALA 101 -6.599 14.541 8.255 783 HB1 ALA 101 HB1 ALA 101 -4.455 12.506 8.443 784 HB2 ALA 101 HB2 ALA 101 -5.472 12.962 7.076 785 HB3 ALA 101 HB3 ALA 101 -4.101 13.973 7.530 786 H VAL 102 H VAL 102 -8.203 13.462 9.185 787 HA VAL 102 HA VAL 102 -7.599 11.569 11.346 788 HB VAL 102 HB VAL 102 -9.413 12.363 12.716 789 HG11 VAL 102 HG11 VAL 102 -8.476 14.379 13.513 790 HG12 VAL 102 HG12 VAL 102 -7.135 13.468 12.816 791 HG13 VAL 102 HG13 VAL 102 -7.852 14.808 11.920 792 HG21 VAL 102 HG21 VAL 102 -10.576 14.515 12.076 793 HG22 VAL 102 HG22 VAL 102 -9.915 14.287 10.456 794 HG23 VAL 102 HG23 VAL 102 -11.019 13.090 11.135 795 H HIS 103 H HIS 103 -9.018 9.837 11.530 796 HA HIS 103 HA HIS 103 -10.553 9.274 9.134 797 HB2 HIS 103 HB2 HIS 103 -8.991 7.701 10.702 798 HB3 HIS 103 HB3 HIS 103 -10.583 7.322 11.352 799 HD1 HIS 103 HD1 HIS 103 -9.838 7.988 7.707 800 HD2 HIS 103 HD2 HIS 103 -10.906 4.850 10.212 801 HE1 HIS 103 HE1 HIS 103 -10.359 6.058 6.182 802 H CYS 104 H CYS 104 -12.738 8.384 9.260 803 HA CYS 104 HA CYS 104 -14.294 8.983 11.627 804 HB2 CYS 104 HB2 CYS 104 -15.871 10.462 10.447 805 HB3 CYS 104 HB3 CYS 104 -14.256 11.157 10.515 806 HG CYS 104 HG CYS 104 -15.982 10.022 7.830 807 H VAL 105 H VAL 105 -15.983 7.631 11.830 808 HA VAL 105 HA VAL 105 -16.277 5.469 10.015 809 HB VAL 105 HB VAL 105 -18.474 5.176 11.488 810 HG11 VAL 105 HG11 VAL 105 -16.666 3.608 11.512 811 HG12 VAL 105 HG12 VAL 105 -15.639 4.729 12.408 812 HG13 VAL 105 HG13 VAL 105 -17.056 4.018 13.182 813 HG21 VAL 105 HG21 VAL 105 -16.818 6.609 13.499 814 HG22 VAL 105 HG22 VAL 105 -17.854 7.561 12.436 815 HG23 VAL 105 HG23 VAL 105 -18.557 6.317 13.469 816 H ALA 106 H ALA 106 -19.198 6.980 11.150 817 HA ALA 106 HA ALA 106 -20.070 7.288 8.360 818 HB1 ALA 106 HB1 ALA 106 -22.185 7.530 10.311 819 HB2 ALA 106 HB2 ALA 106 -22.017 6.401 8.966 820 HB3 ALA 106 HB3 ALA 106 -21.281 6.030 10.525 821 H GLY 107 H GLY 107 -19.502 9.006 11.320 822 HA2 GLY 107 HA2 GLY 107 -19.031 11.423 10.949 823 HA3 GLY 107 HA3 GLY 107 -20.539 11.464 10.046 824 H LEU 108 H LEU 108 -22.433 11.761 11.110 825 HA LEU 108 HA LEU 108 -23.400 12.977 12.925 826 HB2 LEU 108 HB2 LEU 108 -23.368 10.066 13.707 827 HB3 LEU 108 HB3 LEU 108 -24.534 11.277 14.238 828 HG LEU 108 HG LEU 108 -24.204 10.360 11.383 829 HD11 LEU 108 HD11 LEU 108 -26.257 9.565 13.443 830 HD12 LEU 108 HD12 LEU 108 -24.994 8.530 12.777 831 HD13 LEU 108 HD13 LEU 108 -26.286 9.126 11.735 832 HD21 LEU 108 HD21 LEU 108 -25.756 12.456 12.713 833 HD22 LEU 108 HD22 LEU 108 -26.707 11.406 11.661 834 HD23 LEU 108 HD23 LEU 108 -25.312 12.273 11.015 835 H GLY 109 H GLY 109 -23.427 11.434 15.554 836 HA2 GLY 109 HA2 GLY 109 -22.378 12.665 17.450 837 HA3 GLY 109 HA3 GLY 109 -21.711 11.049 17.266 838 H ARG 110 H ARG 110 -19.634 10.782 16.440 839 HA ARG 110 HA ARG 110 -17.601 12.287 17.186 840 HB2 ARG 110 HB2 ARG 110 -17.008 10.335 16.047 841 HB3 ARG 110 HB3 ARG 110 -17.932 10.775 14.617 842 HG2 ARG 110 HG2 ARG 110 -16.167 11.735 13.684 843 HG3 ARG 110 HG3 ARG 110 -15.858 12.706 15.124 844 HD2 ARG 110 HD2 ARG 110 -13.926 11.380 14.780 845 HD3 ARG 110 HD3 ARG 110 -14.793 10.660 16.136 846 HE ARG 110 HE ARG 110 -15.698 9.307 13.942 847 HH11 ARG 110 HH11 ARG 110 -12.574 9.931 15.344 848 HH12 ARG 110 HH12 ARG 110 -11.879 8.448 14.780 849 HH21 ARG 110 HH21 ARG 110 -14.796 7.351 13.193 850 HH22 ARG 110 HH22 ARG 110 -13.144 6.981 13.556 851 H ALA 111 H ALA 111 -18.848 12.738 13.871 852 HA ALA 111 HA ALA 111 -17.605 14.856 12.933 853 HB1 ALA 111 HB1 ALA 111 -19.306 14.444 11.525 854 HB2 ALA 111 HB2 ALA 111 -20.432 14.068 12.830 855 HB3 ALA 111 HB3 ALA 111 -20.108 15.748 12.402 856 HA PRO 112 HA PRO 112 -19.833 18.313 15.367 857 HB2 PRO 112 HB2 PRO 112 -21.911 17.652 16.985 858 HB3 PRO 112 HB3 PRO 112 -22.107 18.001 15.263 859 HG2 PRO 112 HG2 PRO 112 -21.940 15.355 16.653 860 HG3 PRO 112 HG3 PRO 112 -23.031 15.869 15.353 861 HD2 PRO 112 HD2 PRO 112 -20.826 14.364 14.895 862 HD3 PRO 112 HD3 PRO 112 -21.439 15.543 13.718 863 H VAL 113 H VAL 113 -20.597 15.662 17.623 864 HA VAL 113 HA VAL 113 -19.804 16.632 19.973 865 HB VAL 113 HB VAL 113 -19.232 14.442 20.740 866 HG11 VAL 113 HG11 VAL 113 -21.589 14.860 20.067 867 HG12 VAL 113 HG12 VAL 113 -21.237 14.097 18.515 868 HG13 VAL 113 HG13 VAL 113 -21.123 13.160 20.005 869 HG21 VAL 113 HG21 VAL 113 -19.068 12.620 18.842 870 HG22 VAL 113 HG22 VAL 113 -18.502 13.992 17.889 871 HG23 VAL 113 HG23 VAL 113 -17.648 13.528 19.361 872 H LEU 114 H LEU 114 -17.580 15.478 17.478 873 HA LEU 114 HA LEU 114 -15.222 15.855 19.027 874 HB2 LEU 114 HB2 LEU 114 -15.888 15.178 16.240 875 HB3 LEU 114 HB3 LEU 114 -14.335 15.979 16.474 876 HG LEU 114 HG LEU 114 -14.443 13.394 16.440 877 HD11 LEU 114 HD11 LEU 114 -13.015 14.466 18.829 878 HD12 LEU 114 HD12 LEU 114 -12.575 15.036 17.220 879 HD13 LEU 114 HD13 LEU 114 -12.463 13.320 17.607 880 HD21 LEU 114 HD21 LEU 114 -15.223 13.898 19.308 881 HD22 LEU 114 HD22 LEU 114 -14.881 12.339 18.557 882 HD23 LEU 114 HD23 LEU 114 -16.306 13.259 18.071 883 H VAL 115 H VAL 115 -16.345 17.636 16.144 884 HA VAL 115 HA VAL 115 -14.592 19.780 16.364 885 HB VAL 115 HB VAL 115 -16.441 19.107 14.542 886 HG11 VAL 115 HG11 VAL 115 -17.643 21.529 15.869 887 HG12 VAL 115 HG12 VAL 115 -18.262 20.649 14.471 888 HG13 VAL 115 HG13 VAL 115 -18.267 19.892 16.064 889 HG21 VAL 115 HG21 VAL 115 -14.483 20.613 14.280 890 HG22 VAL 115 HG22 VAL 115 -15.910 21.153 13.396 891 HG23 VAL 115 HG23 VAL 115 -15.464 21.936 14.912 892 H ALA 116 H ALA 116 -17.538 19.113 18.086 893 HA ALA 116 HA ALA 116 -18.061 21.734 19.024 894 HB1 ALA 116 HB1 ALA 116 -18.948 18.997 19.787 895 HB2 ALA 116 HB2 ALA 116 -19.250 20.329 20.903 896 HB3 ALA 116 HB3 ALA 116 -19.897 20.389 19.264 897 H LEU 117 H LEU 117 -16.345 18.975 20.468 898 HA LEU 117 HA LEU 117 -15.735 20.091 22.933 899 HB2 LEU 117 HB2 LEU 117 -15.339 17.720 22.084 900 HB3 LEU 117 HB3 LEU 117 -13.836 18.338 21.401 901 HG LEU 117 HG LEU 117 -13.614 17.154 23.601 902 HD11 LEU 117 HD11 LEU 117 -11.916 18.561 24.354 903 HD12 LEU 117 HD12 LEU 117 -12.764 20.019 23.839 904 HD13 LEU 117 HD13 LEU 117 -12.052 18.942 22.638 905 HD21 LEU 117 HD21 LEU 117 -14.682 17.814 25.457 906 HD22 LEU 117 HD22 LEU 117 -15.784 18.627 24.345 907 HD23 LEU 117 HD23 LEU 117 -14.462 19.526 25.093 908 H ALA 118 H ALA 118 -13.795 20.166 19.948 909 HA ALA 118 HA ALA 118 -11.762 21.827 21.042 910 HB1 ALA 118 HB1 ALA 118 -10.714 21.197 19.193 911 HB2 ALA 118 HB2 ALA 118 -12.192 20.411 18.635 912 HB3 ALA 118 HB3 ALA 118 -11.871 22.092 18.207 913 H LEU 119 H LEU 119 -14.638 22.449 19.076 914 HA LEU 119 HA LEU 119 -14.240 25.118 18.466 915 HB2 LEU 119 HB2 LEU 119 -16.059 24.011 17.465 916 HB3 LEU 119 HB3 LEU 119 -16.732 23.540 19.024 917 HG LEU 119 HG LEU 119 -17.491 25.766 19.449 918 HD11 LEU 119 HD11 LEU 119 -15.753 27.133 18.654 919 HD12 LEU 119 HD12 LEU 119 -17.150 27.527 17.653 920 HD13 LEU 119 HD13 LEU 119 -15.878 26.484 17.019 921 HD21 LEU 119 HD21 LEU 119 -18.834 24.307 17.930 922 HD22 LEU 119 HD22 LEU 119 -18.109 25.154 16.563 923 HD23 LEU 119 HD23 LEU 119 -19.113 26.035 17.716 924 H ILE 120 H ILE 120 -15.884 23.765 21.321 925 HA ILE 120 HA ILE 120 -16.408 26.229 22.570 926 HB ILE 120 HB ILE 120 -16.375 23.394 23.438 927 HG12 ILE 120 HG12 ILE 120 -18.624 24.006 24.249 928 HG13 ILE 120 HG13 ILE 120 -18.319 25.684 23.814 929 HG21 ILE 120 HG21 ILE 120 -16.821 24.152 25.809 930 HG22 ILE 120 HG22 ILE 120 -15.147 24.253 25.264 931 HG23 ILE 120 HG23 ILE 120 -16.138 25.709 25.342 932 HD11 ILE 120 HD11 ILE 120 -18.259 23.441 21.820 933 HD12 ILE 120 HD12 ILE 120 -19.712 24.366 22.199 934 HD13 ILE 120 HD13 ILE 120 -18.306 25.175 21.508 935 H GLU 121 H GLU 121 -13.711 23.949 22.929 936 HA GLU 121 HA GLU 121 -12.369 25.411 24.948 937 HB2 GLU 121 HB2 GLU 121 -11.297 23.411 22.950 938 HB3 GLU 121 HB3 GLU 121 -10.410 24.010 24.345 939 HG2 GLU 121 HG2 GLU 121 -13.055 22.878 24.934 940 HG3 GLU 121 HG3 GLU 121 -11.860 21.737 24.318 941 H SER 122 H SER 122 -12.798 26.013 21.657 942 HA SER 122 HA SER 122 -10.302 27.379 21.203 943 HB2 SER 122 HB2 SER 122 -10.917 27.004 19.082 944 HB3 SER 122 HB3 SER 122 -12.520 26.490 19.607 945 HG SER 122 HG SER 122 -13.152 28.249 18.650 946 H GLY 123 H GLY 123 -13.336 28.154 22.582 947 HA2 GLY 123 HA2 GLY 123 -13.220 30.271 23.914 948 HA3 GLY 123 HA3 GLY 123 -12.685 31.033 22.424 949 H MET 124 H MET 124 -15.067 28.597 22.083 950 HA MET 124 HA MET 124 -17.064 30.668 21.502 951 HB2 MET 124 HB2 MET 124 -16.229 28.490 20.018 952 HB3 MET 124 HB3 MET 124 -17.743 27.937 20.720 953 HG2 MET 124 HG2 MET 124 -18.495 28.876 18.786 954 HG3 MET 124 HG3 MET 124 -18.627 30.249 19.882 955 HE1 MET 124 HE1 MET 124 -17.078 32.900 18.551 956 HE2 MET 124 HE2 MET 124 -17.455 32.052 20.050 957 HE3 MET 124 HE3 MET 124 -15.775 32.255 19.550 958 H LYS 125 H LYS 125 -19.234 30.418 22.202 959 HA LYS 125 HA LYS 125 -19.463 29.390 24.860 960 HB2 LYS 125 HB2 LYS 125 -21.997 30.031 23.593 961 HB3 LYS 125 HB3 LYS 125 -21.225 30.769 24.990 962 HG2 LYS 125 HG2 LYS 125 -19.735 31.964 23.265 963 HG3 LYS 125 HG3 LYS 125 -20.974 31.495 22.099 964 HD2 LYS 125 HD2 LYS 125 -21.959 33.424 22.697 965 HD3 LYS 125 HD3 LYS 125 -22.489 32.519 24.117 966 HE2 LYS 125 HE2 LYS 125 -19.858 33.441 24.618 967 HE3 LYS 125 HE3 LYS 125 -20.783 34.799 23.979 968 HZ1 LYS 125 HZ1 LYS 125 -22.138 33.214 25.990 969 HZ2 LYS 125 HZ2 LYS 125 -22.064 34.893 25.802 970 HZ3 LYS 125 HZ3 LYS 125 -20.787 34.069 26.544 971 H TYR 126 H TYR 126 -20.322 27.524 25.565 972 HA TYR 126 HA TYR 126 -20.545 25.290 23.967 973 HB2 TYR 126 HB2 TYR 126 -20.542 24.488 26.064 974 HB3 TYR 126 HB3 TYR 126 -21.198 25.985 26.719 975 HD1 TYR 126 HD2 TYR 126 -22.258 22.931 24.853 976 HD2 TYR 126 HD1 TYR 126 -23.339 25.986 27.610 977 HE1 TYR 126 HE2 TYR 126 -24.411 21.808 25.244 978 HE2 TYR 126 HE1 TYR 126 -25.495 24.871 28.009 979 HH TYR 126 HH TYR 126 -26.202 21.710 26.677 980 H GLU 127 H GLU 127 -23.174 27.379 25.142 981 HA GLU 127 HA GLU 127 -25.283 25.981 23.933 982 HB2 GLU 127 HB2 GLU 127 -24.999 28.876 24.733 983 HB3 GLU 127 HB3 GLU 127 -26.499 28.201 24.110 984 HG2 GLU 127 HG2 GLU 127 -25.932 26.433 26.074 985 HG3 GLU 127 HG3 GLU 127 -25.245 27.911 26.746 986 H ASP 128 H ASP 128 -23.645 28.950 22.827 987 HA ASP 128 HA ASP 128 -24.921 29.272 20.407 988 HB2 ASP 128 HB2 ASP 128 -23.039 30.674 21.611 989 HB3 ASP 128 HB3 ASP 128 -21.973 29.760 20.547 990 H ALA 129 H ALA 129 -21.829 27.564 20.914 991 HA ALA 129 HA ALA 129 -21.472 26.610 18.342 992 HB1 ALA 129 HB1 ALA 129 -20.572 25.706 21.028 993 HB2 ALA 129 HB2 ALA 129 -20.323 24.629 19.653 994 HB3 ALA 129 HB3 ALA 129 -19.628 26.250 19.642 995 H ILE 130 H ILE 130 -23.206 25.073 21.038 996 HA ILE 130 HA ILE 130 -23.879 22.680 19.799 997 HB ILE 130 HB ILE 130 -25.316 24.285 21.900 998 HG12 ILE 130 HG12 ILE 130 -23.845 23.285 23.256 999 HG13 ILE 130 HG13 ILE 130 -24.489 21.719 22.776 1000 HG21 ILE 130 HG21 ILE 130 -26.686 22.240 22.295 1001 HG22 ILE 130 HG22 ILE 130 -27.042 23.067 20.779 1002 HG23 ILE 130 HG23 ILE 130 -26.070 21.595 20.773 1003 HD11 ILE 130 HD11 ILE 130 -22.096 21.786 22.470 1004 HD12 ILE 130 HD12 ILE 130 -22.905 21.661 20.908 1005 HD13 ILE 130 HD13 ILE 130 -22.243 23.207 21.437 1006 H GLN 131 H GLN 131 -25.928 25.592 20.066 1007 HA GLN 131 HA GLN 131 -28.037 24.764 18.501 1008 HB2 GLN 131 HB2 GLN 131 -26.840 27.488 18.946 1009 HB3 GLN 131 HB3 GLN 131 -28.264 27.265 17.938 1010 HG2 GLN 131 HG2 GLN 131 -28.214 27.654 20.673 1011 HG3 GLN 131 HG3 GLN 131 -29.591 27.133 19.704 1012 HE21 GLN 131 HE21 GLN 131 -27.186 26.213 21.982 1013 HE22 GLN 131 HE22 GLN 131 -27.751 24.604 22.259 1014 H PHE 132 H PHE 132 -24.872 25.838 17.515 1015 HA PHE 132 HA PHE 132 -25.495 26.306 14.782 1016 HB2 PHE 132 HB2 PHE 132 -23.458 27.149 16.048 1017 HB3 PHE 132 HB3 PHE 132 -22.792 25.528 15.876 1018 HD1 PHE 132 HD1 PHE 132 -24.732 27.563 13.444 1019 HD2 PHE 132 HD2 PHE 132 -21.003 25.761 14.425 1020 HE1 PHE 132 HE1 PHE 132 -23.862 28.162 11.221 1021 HE2 PHE 132 HE2 PHE 132 -20.127 26.357 12.205 1022 HZ PHE 132 HZ PHE 132 -21.556 27.560 10.600 1023 H ILE 133 H ILE 133 -23.510 23.693 16.181 1024 HA ILE 133 HA ILE 133 -23.691 22.052 13.887 1025 HB ILE 133 HB ILE 133 -22.850 20.235 15.413 1026 HG12 ILE 133 HG12 ILE 133 -22.382 22.307 17.505 1027 HG13 ILE 133 HG13 ILE 133 -23.977 21.566 17.426 1028 HG21 ILE 133 HG21 ILE 133 -21.137 22.636 15.822 1029 HG22 ILE 133 HG22 ILE 133 -20.697 21.013 15.294 1030 HG23 ILE 133 HG23 ILE 133 -21.500 22.116 14.177 1031 HD11 ILE 133 HD11 ILE 133 -23.196 19.504 18.043 1032 HD12 ILE 133 HD12 ILE 133 -21.563 19.826 17.458 1033 HD13 ILE 133 HD13 ILE 133 -22.126 20.568 18.956 1034 H ARG 134 H ARG 134 -25.891 22.674 16.397 1035 HA ARG 134 HA ARG 134 -27.256 20.123 16.216 1036 HB2 ARG 134 HB2 ARG 134 -27.161 21.284 18.369 1037 HB3 ARG 134 HB3 ARG 134 -27.995 22.667 17.673 1038 HG2 ARG 134 HG2 ARG 134 -30.005 21.428 17.410 1039 HG3 ARG 134 HG3 ARG 134 -29.191 19.912 17.804 1040 HD2 ARG 134 HD2 ARG 134 -28.735 20.799 20.071 1041 HD3 ARG 134 HD3 ARG 134 -29.661 22.242 19.660 1042 HE ARG 134 HE ARG 134 -30.701 19.639 20.322 1043 HH11 ARG 134 HH11 ARG 134 -31.333 22.680 18.748 1044 HH12 ARG 134 HH12 ARG 134 -33.055 22.537 18.875 1045 HH21 ARG 134 HH21 ARG 134 -32.967 19.439 20.495 1046 HH22 ARG 134 HH22 ARG 134 -33.983 20.694 19.870 1047 H GLN 135 H GLN 135 -27.785 23.475 15.216 1048 HA GLN 135 HA GLN 135 -30.328 22.899 14.006 1049 HB2 GLN 135 HB2 GLN 135 -30.431 25.178 13.457 1050 HB3 GLN 135 HB3 GLN 135 -29.559 25.139 14.984 1051 HG2 GLN 135 HG2 GLN 135 -27.435 25.288 13.717 1052 HG3 GLN 135 HG3 GLN 135 -28.377 25.470 12.238 1053 HE21 GLN 135 HE21 GLN 135 -28.518 26.837 15.513 1054 HE22 GLN 135 HE22 GLN 135 -28.592 28.486 15.005 1055 H LYS 136 H LYS 136 -27.044 22.711 13.052 1056 HA LYS 136 HA LYS 136 -27.766 22.621 10.209 1057 HB2 LYS 136 HB2 LYS 136 -25.491 22.984 9.698 1058 HB3 LYS 136 HB3 LYS 136 -25.838 24.058 11.047 1059 HG2 LYS 136 HG2 LYS 136 -24.100 23.193 12.106 1060 HG3 LYS 136 HG3 LYS 136 -24.970 21.659 12.196 1061 HD2 LYS 136 HD2 LYS 136 -23.926 21.819 9.592 1062 HD3 LYS 136 HD3 LYS 136 -22.631 22.338 10.673 1063 HE2 LYS 136 HE2 LYS 136 -23.673 20.155 11.973 1064 HE3 LYS 136 HE3 LYS 136 -23.802 19.693 10.277 1065 HZ1 LYS 136 HZ1 LYS 136 -21.397 20.407 10.100 1066 HZ2 LYS 136 HZ2 LYS 136 -21.697 18.981 10.959 1067 HZ3 LYS 136 HZ3 LYS 136 -21.367 20.416 11.792 1068 H ARG 137 H ARG 137 -28.171 20.510 12.374 1069 HA ARG 137 HA ARG 137 -27.849 18.245 10.802 1070 HB2 ARG 137 HB2 ARG 137 -25.384 19.040 11.789 1071 HB3 ARG 137 HB3 ARG 137 -25.886 17.778 12.906 1072 HG2 ARG 137 HG2 ARG 137 -26.093 16.192 11.135 1073 HG3 ARG 137 HG3 ARG 137 -25.848 17.446 9.917 1074 HD2 ARG 137 HD2 ARG 137 -23.657 17.541 11.712 1075 HD3 ARG 137 HD3 ARG 137 -23.907 15.855 11.261 1076 HE ARG 137 HE ARG 137 -23.928 17.661 9.027 1077 HH11 ARG 137 HH11 ARG 137 -21.932 15.745 11.139 1078 HH12 ARG 137 HH12 ARG 137 -20.633 15.607 10.001 1079 HH21 ARG 137 HH21 ARG 137 -22.225 17.487 7.519 1080 HH22 ARG 137 HH22 ARG 137 -20.801 16.599 7.942 1081 H ARG 138 H ARG 138 -29.759 19.374 12.543 1082 HA ARG 138 HA ARG 138 -31.124 18.918 14.324 1083 HB2 ARG 138 HB2 ARG 138 -31.049 16.795 12.607 1084 HB3 ARG 138 HB3 ARG 138 -30.662 16.018 14.137 1085 HG2 ARG 138 HG2 ARG 138 -32.990 15.860 13.922 1086 HG3 ARG 138 HG3 ARG 138 -32.716 17.164 15.078 1087 HD2 ARG 138 HD2 ARG 138 -32.723 18.441 12.623 1088 HD3 ARG 138 HD3 ARG 138 -33.988 17.223 12.468 1089 HE ARG 138 HE ARG 138 -34.029 19.567 14.135 1090 HH11 ARG 138 HH11 ARG 138 -35.321 16.372 13.642 1091 HH12 ARG 138 HH12 ARG 138 -36.781 16.685 14.520 1092 HH21 ARG 138 HH21 ARG 138 -35.947 19.992 15.294 1093 HH22 ARG 138 HH22 ARG 138 -37.137 18.745 15.458 1094 H GLY 139 H GLY 139 -31.069 16.600 16.041 1095 HA2 GLY 139 HA2 GLY 139 -29.440 17.569 18.112 1096 HA3 GLY 139 HA3 GLY 139 -30.208 15.989 18.078 1097 H ALA 140 H ALA 140 -27.343 17.797 17.114 1098 HA ALA 140 HA ALA 140 -25.909 15.372 16.422 1099 HB1 ALA 140 HB1 ALA 140 -24.796 16.778 15.118 1100 HB2 ALA 140 HB2 ALA 140 -25.633 18.152 15.842 1101 HB3 ALA 140 HB3 ALA 140 -24.133 17.559 16.554 1102 H ILE 141 H ILE 141 -25.298 18.060 18.693 1103 HA ILE 141 HA ILE 141 -23.612 16.299 20.294 1104 HB ILE 141 HB ILE 141 -22.800 18.567 19.781 1105 HG12 ILE 141 HG12 ILE 141 -22.717 19.216 22.424 1106 HG13 ILE 141 HG13 ILE 141 -23.179 17.520 22.515 1107 HG21 ILE 141 HG21 ILE 141 -24.173 20.307 19.860 1108 HG22 ILE 141 HG22 ILE 141 -25.442 19.294 20.547 1109 HG23 ILE 141 HG23 ILE 141 -24.301 20.118 21.609 1110 HD11 ILE 141 HD11 ILE 141 -21.219 16.845 21.362 1111 HD12 ILE 141 HD12 ILE 141 -20.812 18.512 20.954 1112 HD13 ILE 141 HD13 ILE 141 -20.727 17.968 22.629 1113 H ASN 142 H ASN 142 -26.812 16.896 20.122 1114 HA ASN 142 HA ASN 142 -27.648 17.470 22.716 1115 HB2 ASN 142 HB2 ASN 142 -28.876 16.783 20.306 1116 HB3 ASN 142 HB3 ASN 142 -29.369 15.517 21.427 1117 HD21 ASN 142 HD21 ASN 142 -31.028 15.919 22.705 1118 HD22 ASN 142 HD22 ASN 142 -31.695 17.478 23.033 1119 H SER 143 H SER 143 -28.763 15.917 24.208 1120 HA SER 143 HA SER 143 -28.864 13.981 25.444 1121 HB2 SER 143 HB2 SER 143 -26.782 12.647 23.750 1122 HB3 SER 143 HB3 SER 143 -28.164 11.938 24.585 1123 HG SER 143 HG SER 143 -27.991 12.914 22.061 1124 H LYS 144 H LYS 144 -26.515 12.237 25.827 1125 HA LYS 144 HA LYS 144 -25.357 13.254 28.038 1126 HB2 LYS 144 HB2 LYS 144 -23.836 11.676 25.956 1127 HB3 LYS 144 HB3 LYS 144 -23.462 11.777 27.672 1128 HG2 LYS 144 HG2 LYS 144 -26.171 10.894 27.280 1129 HG3 LYS 144 HG3 LYS 144 -25.042 9.874 26.386 1130 HD2 LYS 144 HD2 LYS 144 -24.196 8.976 28.260 1131 HD3 LYS 144 HD3 LYS 144 -24.148 10.533 29.092 1132 HE2 LYS 144 HE2 LYS 144 -25.663 8.970 30.205 1133 HE3 LYS 144 HE3 LYS 144 -26.531 10.366 29.569 1134 HZ1 LYS 144 HZ1 LYS 144 -27.369 7.911 29.189 1135 HZ2 LYS 144 HZ2 LYS 144 -26.332 8.007 27.857 1136 HZ3 LYS 144 HZ3 LYS 144 -27.598 9.117 28.025 1137 H GLN 145 H GLN 145 -23.802 13.503 24.833 1138 HA GLN 145 HA GLN 145 -21.671 15.069 25.394 1139 HB2 GLN 145 HB2 GLN 145 -23.438 15.662 23.026 1140 HB3 GLN 145 HB3 GLN 145 -21.691 15.832 23.142 1141 HG2 GLN 145 HG2 GLN 145 -23.298 13.303 22.975 1142 HG3 GLN 145 HG3 GLN 145 -22.104 13.916 21.833 1143 HE21 GLN 145 HE21 GLN 145 -22.394 11.403 23.511 1144 HE22 GLN 145 HE22 GLN 145 -20.852 11.232 24.272 1145 H LEU 146 H LEU 146 -24.955 16.286 24.768 1146 HA LEU 146 HA LEU 146 -24.458 18.999 25.016 1147 HB2 LEU 146 HB2 LEU 146 -26.686 17.386 24.721 1148 HB3 LEU 146 HB3 LEU 146 -26.968 18.216 26.250 1149 HG LEU 146 HG LEU 146 -26.708 20.378 25.102 1150 HD11 LEU 146 HD11 LEU 146 -25.432 18.931 23.153 1151 HD12 LEU 146 HD12 LEU 146 -25.976 20.602 23.007 1152 HD13 LEU 146 HD13 LEU 146 -26.993 19.289 22.415 1153 HD21 LEU 146 HD21 LEU 146 -28.789 18.397 24.356 1154 HD22 LEU 146 HD22 LEU 146 -28.763 19.932 23.487 1155 HD23 LEU 146 HD23 LEU 146 -28.934 19.915 25.243 1156 H THR 147 H THR 147 -25.694 16.849 27.582 1157 HA THR 147 HA THR 147 -25.525 18.681 29.673 1158 HB THR 147 HB THR 147 -25.494 16.724 31.190 1159 HG1 THR 147 HG1 THR 147 -25.746 14.646 29.845 1160 HG21 THR 147 HG21 THR 147 -27.603 15.673 30.341 1161 HG22 THR 147 HG22 THR 147 -27.395 16.592 28.851 1162 HG23 THR 147 HG23 THR 147 -27.635 17.435 30.381 1163 H TYR 148 H TYR 148 -23.081 16.582 28.280 1164 HA TYR 148 HA TYR 148 -21.128 16.623 30.223 1165 HB2 TYR 148 HB2 TYR 148 -21.055 15.389 28.028 1166 HB3 TYR 148 HB3 TYR 148 -20.585 16.902 27.263 1167 HD1 TYR 148 HD2 TYR 148 -19.546 14.947 30.283 1168 HD2 TYR 148 HD1 TYR 148 -18.340 17.082 26.806 1169 HE1 TYR 148 HE2 TYR 148 -17.191 14.480 30.820 1170 HE2 TYR 148 HE1 TYR 148 -15.983 16.620 27.332 1171 HH TYR 148 HH TYR 148 -14.604 15.297 28.600 1172 H LEU 149 H LEU 149 -21.298 18.888 27.468 1173 HA LEU 149 HA LEU 149 -19.355 20.653 28.521 1174 HB2 LEU 149 HB2 LEU 149 -20.673 20.348 26.119 1175 HB3 LEU 149 HB3 LEU 149 -21.292 21.883 26.727 1176 HG LEU 149 HG LEU 149 -19.438 22.323 25.279 1177 HD11 LEU 149 HD11 LEU 149 -19.629 23.241 27.855 1178 HD12 LEU 149 HD12 LEU 149 -18.581 23.902 26.602 1179 HD13 LEU 149 HD13 LEU 149 -17.946 22.724 27.750 1180 HD21 LEU 149 HD21 LEU 149 -17.159 21.351 26.427 1181 HD22 LEU 149 HD22 LEU 149 -17.976 20.647 25.031 1182 HD23 LEU 149 HD23 LEU 149 -18.284 20.011 26.648 1183 H GLU 150 H GLU 150 -22.817 20.412 28.879 1184 HA GLU 150 HA GLU 150 -23.446 22.962 29.776 1185 HB2 GLU 150 HB2 GLU 150 -24.826 20.630 29.474 1186 HB3 GLU 150 HB3 GLU 150 -24.774 20.770 31.226 1187 HG2 GLU 150 HG2 GLU 150 -25.823 22.931 31.135 1188 HG3 GLU 150 HG3 GLU 150 -25.761 22.925 29.373 1189 H LYS 151 H LYS 151 -22.153 20.202 31.568 1190 HA LYS 151 HA LYS 151 -22.002 21.809 34.003 1191 HB2 LYS 151 HB2 LYS 151 -21.916 18.916 33.367 1192 HB3 LYS 151 HB3 LYS 151 -20.930 19.441 34.725 1193 HG2 LYS 151 HG2 LYS 151 -22.862 20.367 35.828 1194 HG3 LYS 151 HG3 LYS 151 -23.876 19.990 34.434 1195 HD2 LYS 151 HD2 LYS 151 -22.713 17.567 35.030 1196 HD3 LYS 151 HD3 LYS 151 -22.987 18.279 36.622 1197 HE2 LYS 151 HE2 LYS 151 -25.241 18.181 36.424 1198 HE3 LYS 151 HE3 LYS 151 -25.210 18.500 34.691 1199 HZ1 LYS 151 HZ1 LYS 151 -24.591 16.238 34.277 1200 HZ2 LYS 151 HZ2 LYS 151 -25.970 16.242 35.257 1201 HZ3 LYS 151 HZ3 LYS 151 -24.454 15.911 35.932 1202 H TYR 152 H TYR 152 -19.992 20.495 31.492 1203 HA TYR 152 HA TYR 152 -17.499 20.637 32.790 1204 HB2 TYR 152 HB2 TYR 152 -17.972 19.458 30.622 1205 HB3 TYR 152 HB3 TYR 152 -18.014 21.034 29.838 1206 HD1 TYR 152 HD2 TYR 152 -15.941 22.413 29.739 1207 HD2 TYR 152 HD1 TYR 152 -15.909 18.405 31.166 1208 HE1 TYR 152 HE2 TYR 152 -13.502 22.330 29.434 1209 HE2 TYR 152 HE1 TYR 152 -13.470 18.311 30.866 1210 HH TYR 152 HH TYR 152 -11.691 21.014 29.430 1211 H ARG 153 H ARG 153 -15.896 22.215 32.787 1212 HA ARG 153 HA ARG 153 -16.825 24.932 32.121 1213 HB2 ARG 153 HB2 ARG 153 -16.657 24.871 34.468 1214 HB3 ARG 153 HB3 ARG 153 -15.181 23.917 34.425 1215 HG2 ARG 153 HG2 ARG 153 -15.115 26.621 33.207 1216 HG3 ARG 153 HG3 ARG 153 -15.169 26.501 34.967 1217 HD2 ARG 153 HD2 ARG 153 -13.274 24.617 34.148 1218 HD3 ARG 153 HD3 ARG 153 -12.970 26.045 33.160 1219 HE ARG 153 HE ARG 153 -12.532 25.766 35.986 1220 HH11 ARG 153 HH11 ARG 153 -13.128 28.007 33.390 1221 HH12 ARG 153 HH12 ARG 153 -12.413 29.354 34.214 1222 HH21 ARG 153 HH21 ARG 153 -11.589 27.530 37.082 1223 HH22 ARG 153 HH22 ARG 153 -11.537 29.081 36.313 1224 HA PRO 154 HA PRO 154 -13.424 25.021 29.291 1225 HB2 PRO 154 HB2 PRO 154 -13.494 27.683 28.760 1226 HB3 PRO 154 HB3 PRO 154 -14.669 26.540 28.098 1227 HG2 PRO 154 HG2 PRO 154 -14.926 28.373 30.451 1228 HG3 PRO 154 HG3 PRO 154 -16.104 28.021 29.173 1229 HD2 PRO 154 HD2 PRO 154 -16.232 26.882 31.625 1230 HD3 PRO 154 HD3 PRO 154 -16.767 26.044 30.154 1231 H LYS 155 H LYS 155 -11.451 24.736 30.147 1232 HA LYS 155 HA LYS 155 -10.434 26.500 32.206 1233 HB2 LYS 155 HB2 LYS 155 -8.466 25.001 32.180 1234 HB3 LYS 155 HB3 LYS 155 -9.976 24.129 32.407 1235 HG2 LYS 155 HG2 LYS 155 -9.337 24.299 29.612 1236 HG3 LYS 155 HG3 LYS 155 -7.981 23.625 30.519 1237 HD2 LYS 155 HD2 LYS 155 -10.827 22.651 30.736 1238 HD3 LYS 155 HD3 LYS 155 -9.600 21.918 29.700 1239 HE2 LYS 155 HE2 LYS 155 -8.196 21.692 31.820 1240 HE3 LYS 155 HE3 LYS 155 -9.678 22.060 32.701 1241 HZ1 LYS 155 HZ1 LYS 155 -10.655 20.099 32.056 1242 HZ2 LYS 155 HZ2 LYS 155 -9.044 19.613 32.225 1243 HZ3 LYS 155 HZ3 LYS 155 -9.678 19.916 30.686 1244 H GLN 156 H GLN 156 -10.748 26.920 29.040 1245 HA GLN 156 HA GLN 156 -9.745 28.214 27.462 1246 HB2 GLN 156 HB2 GLN 156 -8.056 29.347 29.686 1247 HB3 GLN 156 HB3 GLN 156 -8.546 30.134 28.191 1248 HG2 GLN 156 HG2 GLN 156 -10.189 31.063 29.347 1249 HG3 GLN 156 HG3 GLN 156 -10.938 29.468 29.405 1250 HE21 GLN 156 HE21 GLN 156 -8.322 31.208 31.064 1251 HE22 GLN 156 HE22 GLN 156 -8.793 30.741 32.658 1252 H ARG 157 H ARG 157 -8.796 26.058 26.846 1253 HA ARG 157 HA ARG 157 -5.910 25.894 27.308 1254 HB2 ARG 157 HB2 ARG 157 -7.855 23.950 27.242 1255 HB3 ARG 157 HB3 ARG 157 -7.135 23.817 25.644 1256 HG2 ARG 157 HG2 ARG 157 -5.399 22.727 26.471 1257 HG3 ARG 157 HG3 ARG 157 -5.064 24.041 27.600 1258 HD2 ARG 157 HD2 ARG 157 -6.326 23.081 29.292 1259 HD3 ARG 157 HD3 ARG 157 -7.259 22.092 28.169 1260 HE ARG 157 HE ARG 157 -4.486 21.395 28.204 1261 HH11 ARG 157 HH11 ARG 157 -7.528 20.965 29.842 1262 HH12 ARG 157 HH12 ARG 157 -7.091 19.435 30.527 1263 HH21 ARG 157 HH21 ARG 157 -3.900 19.381 29.099 1264 HH22 ARG 157 HH22 ARG 157 -5.027 18.535 30.105 1265 H LEU 158 H LEU 158 -8.159 25.591 24.552 1266 HA LEU 158 HA LEU 158 -6.082 26.007 22.629 1267 HB2 LEU 158 HB2 LEU 158 -8.841 25.236 22.630 1268 HB3 LEU 158 HB3 LEU 158 -8.587 26.514 21.444 1269 HG LEU 158 HG LEU 158 -8.420 24.302 20.430 1270 HD11 LEU 158 HD11 LEU 158 -7.156 25.830 19.247 1271 HD12 LEU 158 HD12 LEU 158 -5.976 24.569 19.604 1272 HD13 LEU 158 HD13 LEU 158 -6.000 26.050 20.561 1273 HD21 LEU 158 HD21 LEU 158 -6.640 23.840 22.722 1274 HD22 LEU 158 HD22 LEU 158 -6.061 23.202 21.183 1275 HD23 LEU 158 HD23 LEU 158 -7.635 22.707 21.807 1276 H ARG 159 H ARG 159 -8.237 28.044 24.400 1277 HA ARG 159 HA ARG 159 -6.908 30.408 23.750 1278 HB2 ARG 159 HB2 ARG 159 -8.610 29.600 21.677 1279 HB3 ARG 159 HB3 ARG 159 -9.482 30.876 22.515 1280 HG2 ARG 159 HG2 ARG 159 -6.780 31.700 22.187 1281 HG3 ARG 159 HG3 ARG 159 -7.388 31.116 20.637 1282 HD2 ARG 159 HD2 ARG 159 -8.826 32.831 20.414 1283 HD3 ARG 159 HD3 ARG 159 -9.256 32.820 22.124 1284 HE ARG 159 HE ARG 159 -7.719 34.472 22.472 1285 HH11 ARG 159 HH11 ARG 159 -7.027 32.917 19.435 1286 HH12 ARG 159 HH12 ARG 159 -5.786 34.042 18.993 1287 HH21 ARG 159 HH21 ARG 159 -6.087 35.959 21.901 1288 HH22 ARG 159 HH22 ARG 159 -5.251 35.771 20.397 1289 H PHE 160 H PHE 160 -8.813 32.332 24.017 1290 HA PHE 160 HA PHE 160 -9.701 31.877 26.745 1291 HB2 PHE 160 HB2 PHE 160 -8.749 34.106 25.319 1292 HB3 PHE 160 HB3 PHE 160 -10.434 34.461 25.689 1293 HD1 PHE 160 HD1 PHE 160 -7.695 32.736 27.548 1294 HD2 PHE 160 HD2 PHE 160 -10.591 35.854 27.500 1295 HE1 PHE 160 HE1 PHE 160 -7.053 33.363 29.839 1296 HE2 PHE 160 HE2 PHE 160 -9.954 36.487 29.790 1297 HZ PHE 160 HZ PHE 160 -8.182 35.241 30.963 1298 H LYS 161 H LYS 161 -11.680 31.218 27.218 1299 HA LYS 161 HA LYS 161 -13.825 31.670 25.252 1300 HB2 LYS 161 HB2 LYS 161 -13.095 29.280 25.928 1301 HB3 LYS 161 HB3 LYS 161 -13.931 29.611 27.440 1302 HG2 LYS 161 HG2 LYS 161 -15.499 30.229 25.050 1303 HG3 LYS 161 HG3 LYS 161 -15.068 28.526 25.221 1304 HD2 LYS 161 HD2 LYS 161 -15.875 29.425 27.770 1305 HD3 LYS 161 HD3 LYS 161 -17.064 30.032 26.615 1306 HE2 LYS 161 HE2 LYS 161 -16.843 27.541 25.697 1307 HE3 LYS 161 HE3 LYS 161 -16.391 27.244 27.375 1308 HZ1 LYS 161 HZ1 LYS 161 -18.836 27.061 26.771 1309 HZ2 LYS 161 HZ2 LYS 161 -18.837 28.749 26.676 1310 HZ3 LYS 161 HZ3 LYS 161 -18.452 27.984 28.135 1311 H ASP 162 H ASP 162 -16.052 31.775 26.272 1312 HA ASP 162 HA ASP 162 -16.332 34.020 27.828 1313 HB2 ASP 162 HB2 ASP 162 -18.168 32.957 26.554 1314 HB3 ASP 162 HB3 ASP 162 -18.232 31.666 27.751
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