NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19071 | 2ed1 | 11153 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 23.006 -5.671 11.982 2 HA2 GLY 1 1HA GLY 1 20.141 -6.066 11.644 3 HA3 GLY 1 2HA GLY 1 20.815 -4.637 10.876 4 H SER 2 H SER 2 20.096 -7.873 10.479 5 HA SER 2 HA SER 2 21.880 -8.049 8.138 6 HB2 SER 2 1HB SER 2 22.440 -9.666 9.972 7 HB3 SER 2 2HB SER 2 20.842 -10.384 9.760 8 HG SER 2 HG SER 2 22.924 -11.130 8.514 9 H SER 3 H SER 3 20.858 -8.077 6.258 10 HA SER 3 HA SER 3 18.013 -8.210 6.100 11 HB2 SER 3 1HB SER 3 20.249 -7.861 4.152 12 HB3 SER 3 2HB SER 3 18.670 -8.341 3.529 13 HG SER 3 HG SER 3 19.472 -5.956 4.722 14 H GLY 4 H GLY 4 17.153 -10.152 6.643 15 HA2 GLY 4 1HA GLY 4 16.595 -12.162 5.059 16 HA3 GLY 4 2HA GLY 4 18.262 -12.578 5.429 17 H SER 5 H SER 5 15.176 -11.800 7.014 18 HA SER 5 HA SER 5 15.990 -13.389 9.331 19 HB2 SER 5 1HB SER 5 14.140 -12.387 10.498 20 HB3 SER 5 2HB SER 5 14.979 -11.103 9.629 21 HG SER 5 HG SER 5 12.587 -12.415 8.847 22 H SER 6 H SER 6 14.801 -15.145 10.091 23 HA SER 6 HA SER 6 13.623 -16.780 8.091 24 HB2 SER 6 1HB SER 6 14.004 -17.026 11.059 25 HB3 SER 6 2HB SER 6 12.996 -18.190 10.199 26 HG SER 6 HG SER 6 15.727 -17.886 10.202 27 H GLY 7 H GLY 7 11.752 -16.066 7.218 28 HA2 GLY 7 1HA GLY 7 9.375 -16.216 7.301 29 HA3 GLY 7 2HA GLY 7 9.446 -15.903 9.030 30 H ASN 8 H ASN 8 9.772 -14.435 5.842 31 HA ASN 8 HA ASN 8 8.961 -11.873 7.034 32 HB2 ASN 8 1HB ASN 8 11.258 -11.508 6.633 33 HB3 ASN 8 2HB ASN 8 11.215 -12.377 5.101 34 HD21 ASN 8 1HD2 ASN 8 11.203 -11.175 3.353 35 HD22 ASN 8 2HD2 ASN 8 10.669 -9.536 3.246 36 H LYS 9 H LYS 9 7.417 -10.775 5.944 37 HA LYS 9 HA LYS 9 6.849 -11.267 3.171 38 HB2 LYS 9 1HB LYS 9 5.716 -13.194 4.062 39 HB3 LYS 9 2HB LYS 9 4.935 -12.224 5.303 40 HG2 LYS 9 1HG LYS 9 3.335 -12.725 3.603 41 HG3 LYS 9 2HG LYS 9 3.721 -11.005 3.516 42 HD2 LYS 9 1HD LYS 9 3.755 -11.672 1.287 43 HD3 LYS 9 2HD LYS 9 5.459 -11.718 1.744 44 HE2 LYS 9 1HE LYS 9 4.943 -14.204 2.334 45 HE3 LYS 9 2HE LYS 9 3.556 -13.974 1.270 46 HZ1 LYS 9 3HZ LYS 9 6.390 -14.101 0.623 47 HZ2 LYS 9 1HZ LYS 9 5.475 -12.980 -0.253 48 HZ3 LYS 9 2HZ LYS 9 5.050 -14.617 -0.272 49 H VAL 10 H VAL 10 5.627 -9.651 2.252 50 HA VAL 10 HA VAL 10 5.067 -7.364 3.998 51 HB VAL 10 HB VAL 10 5.014 -6.015 1.964 52 HG11 VAL 10 1HG1 VAL 10 7.390 -6.351 1.256 53 HG12 VAL 10 2HG1 VAL 10 7.153 -6.242 3.002 54 HG13 VAL 10 3HG1 VAL 10 7.415 -7.813 2.242 55 HG21 VAL 10 3HG2 VAL 10 4.088 -7.721 0.457 56 HG22 VAL 10 1HG2 VAL 10 5.537 -6.970 -0.211 57 HG23 VAL 10 2HG2 VAL 10 5.626 -8.582 0.499 58 H ARG 11 H ARG 11 3.182 -5.954 3.115 59 HA ARG 11 HA ARG 11 0.869 -7.732 2.718 60 HB2 ARG 11 1HB ARG 11 1.112 -6.334 4.878 61 HB3 ARG 11 2HB ARG 11 0.702 -4.958 3.862 62 HG2 ARG 11 1HG ARG 11 -1.452 -5.725 3.470 63 HG3 ARG 11 2HG ARG 11 -1.046 -7.383 3.916 64 HD2 ARG 11 1HD ARG 11 -0.545 -6.303 6.251 65 HD3 ARG 11 2HD ARG 11 -1.606 -5.026 5.658 66 HE ARG 11 HE ARG 11 -2.943 -7.395 5.211 67 HH11 ARG 11 1HH1 ARG 11 -1.661 -5.680 7.956 68 HH12 ARG 11 2HH1 ARG 11 -2.843 -6.301 9.060 69 HH21 ARG 11 1HH2 ARG 11 -4.504 -8.219 6.655 70 HH22 ARG 11 2HH2 ARG 11 -4.460 -7.746 8.319 71 H ARG 12 H ARG 12 -0.307 -7.501 0.929 72 HA ARG 12 HA ARG 12 0.265 -5.204 -0.810 73 HB2 ARG 12 1HB ARG 12 -0.520 -8.033 -1.296 74 HB3 ARG 12 2HB ARG 12 -1.089 -6.825 -2.440 75 HG2 ARG 12 1HG ARG 12 1.412 -6.084 -2.466 76 HG3 ARG 12 2HG ARG 12 1.691 -7.716 -1.852 77 HD2 ARG 12 1HD ARG 12 1.867 -7.640 -4.288 78 HD3 ARG 12 2HD ARG 12 0.516 -8.650 -3.772 79 HE ARG 12 HE ARG 12 -0.423 -6.048 -4.236 80 HH11 ARG 12 1HH1 ARG 12 0.835 -8.788 -5.977 81 HH12 ARG 12 2HH1 ARG 12 -0.026 -8.421 -7.435 82 HH21 ARG 12 1HH2 ARG 12 -1.562 -5.556 -6.149 83 HH22 ARG 12 2HH2 ARG 12 -1.388 -6.583 -7.532 84 H VAL 13 H VAL 13 -1.291 -3.799 -1.416 85 HA VAL 13 HA VAL 13 -4.086 -4.416 -0.788 86 HB VAL 13 HB VAL 13 -4.436 -2.195 0.196 87 HG11 VAL 13 1HG1 VAL 13 -2.873 -2.624 2.271 88 HG12 VAL 13 2HG1 VAL 13 -4.201 -3.722 1.890 89 HG13 VAL 13 3HG1 VAL 13 -2.549 -4.141 1.431 90 HG21 VAL 13 3HG2 VAL 13 -2.769 -0.631 0.552 91 HG22 VAL 13 1HG2 VAL 13 -1.479 -1.827 0.433 92 HG23 VAL 13 2HG2 VAL 13 -2.322 -1.292 -1.021 93 H LYS 14 H LYS 14 -5.526 -2.560 -1.651 94 HA LYS 14 HA LYS 14 -4.425 -1.445 -4.132 95 HB2 LYS 14 1HB LYS 14 -5.610 -3.568 -4.652 96 HB3 LYS 14 2HB LYS 14 -7.074 -2.892 -3.950 97 HG2 LYS 14 1HG LYS 14 -6.672 -0.981 -5.688 98 HG3 LYS 14 2HG LYS 14 -5.708 -2.211 -6.508 99 HD2 LYS 14 1HD LYS 14 -7.856 -3.685 -6.063 100 HD3 LYS 14 2HD LYS 14 -8.641 -2.105 -6.014 101 HE2 LYS 14 1HE LYS 14 -8.816 -2.551 -8.245 102 HE3 LYS 14 2HE LYS 14 -7.251 -1.739 -8.230 103 HZ1 LYS 14 3HZ LYS 14 -6.806 -4.447 -7.741 104 HZ2 LYS 14 1HZ LYS 14 -6.365 -3.549 -9.106 105 HZ3 LYS 14 2HZ LYS 14 -7.855 -4.350 -9.065 106 H THR 15 H THR 15 -5.054 0.593 -4.551 107 HA THR 15 HA THR 15 -6.468 2.061 -2.574 108 HB THR 15 HB THR 15 -6.341 3.947 -4.245 109 HG1 THR 15 1HG THR 15 -6.257 2.956 -6.202 110 HG21 THR 15 3HG2 THR 15 -3.717 3.821 -4.288 111 HG22 THR 15 1HG2 THR 15 -3.976 2.425 -3.243 112 HG23 THR 15 2HG2 THR 15 -4.580 4.012 -2.762 113 H ILE 16 H ILE 16 -8.555 1.328 -2.341 114 HA ILE 16 HA ILE 16 -10.315 0.869 -4.530 115 HB ILE 16 HB ILE 16 -12.107 0.937 -2.733 116 HG12 ILE 16 1HG1 ILE 16 -9.736 1.007 -0.862 117 HG13 ILE 16 2HG1 ILE 16 -10.717 2.424 -1.221 118 HG21 ILE 16 1HG2 ILE 16 -11.461 -1.216 -1.819 119 HG22 ILE 16 2HG2 ILE 16 -11.040 -1.128 -3.529 120 HG23 ILE 16 3HG2 ILE 16 -9.787 -0.941 -2.301 121 HD11 ILE 16 3HD1 ILE 16 -12.193 0.034 -0.352 122 HD12 ILE 16 1HD1 ILE 16 -11.154 0.788 0.856 123 HD13 ILE 16 2HD1 ILE 16 -12.419 1.731 0.069 124 H TYR 17 H TYR 17 -9.150 3.692 -3.151 125 HA TYR 17 HA TYR 17 -11.274 5.245 -4.447 126 HB2 TYR 17 1HB TYR 17 -10.150 5.849 -1.703 127 HB3 TYR 17 2HB TYR 17 -11.302 6.847 -2.585 128 HD1 TYR 17 1HD TYR 17 -13.222 4.928 -3.614 129 HD2 TYR 17 2HD TYR 17 -11.252 5.015 0.157 130 HE1 TYR 17 1HE TYR 17 -15.084 3.666 -2.619 131 HE2 TYR 17 2HE TYR 17 -13.108 3.752 1.161 132 HH TYR 17 HH TYR 17 -15.786 2.543 -0.804 133 H ASP 18 H ASP 18 -10.607 7.566 -4.737 134 HA ASP 18 HA ASP 18 -7.818 7.625 -5.618 135 HB2 ASP 18 1HB ASP 18 -9.032 8.343 -7.423 136 HB3 ASP 18 2HB ASP 18 -10.311 9.029 -6.427 137 H CYS 19 H CYS 19 -6.455 9.418 -5.167 138 HA CYS 19 HA CYS 19 -7.257 11.376 -3.212 139 HB2 CYS 19 1HB CYS 19 -6.551 9.132 -2.030 140 HB3 CYS 19 2HB CYS 19 -4.923 9.696 -2.385 141 HG CYS 19 HG CYS 19 -7.227 11.461 -0.569 142 H GLN 20 H GLN 20 -5.653 13.022 -2.872 143 HA GLN 20 HA GLN 20 -3.412 12.971 -4.768 144 HB2 GLN 20 1HB GLN 20 -5.249 14.220 -5.814 145 HB3 GLN 20 2HB GLN 20 -5.340 15.271 -4.408 146 HG2 GLN 20 1HG GLN 20 -4.164 16.437 -6.103 147 HG3 GLN 20 2HG GLN 20 -2.995 15.972 -4.869 148 HE21 GLN 20 1HE2 GLN 20 -1.154 15.718 -5.945 149 HE22 GLN 20 2HE2 GLN 20 -0.932 14.701 -7.324 150 H ALA 21 H ALA 21 -2.047 12.593 -2.978 151 HA ALA 21 HA ALA 21 -1.920 13.901 -0.582 152 HB1 ALA 21 3HB ALA 21 -0.460 12.047 -1.126 153 HB2 ALA 21 1HB ALA 21 0.405 13.042 -2.299 154 HB3 ALA 21 2HB ALA 21 0.494 13.426 -0.580 155 H ASP 22 H ASP 22 -1.337 15.864 0.152 156 HA ASP 22 HA ASP 22 -0.878 17.955 -1.802 157 HB2 ASP 22 1HB ASP 22 -1.272 19.500 -0.010 158 HB3 ASP 22 2HB ASP 22 -2.467 18.214 0.127 159 H ASN 23 H ASN 23 0.826 16.462 0.913 160 HA ASN 23 HA ASN 23 3.187 18.093 0.363 161 HB2 ASN 23 1HB ASN 23 2.245 16.448 2.658 162 HB3 ASN 23 2HB ASN 23 3.985 16.588 2.424 163 HD21 ASN 23 1HD2 ASN 23 1.038 18.523 2.663 164 HD22 ASN 23 2HD2 ASN 23 1.780 19.878 3.437 165 H ASP 24 H ASP 24 5.320 16.741 0.728 166 HA ASP 24 HA ASP 24 5.416 14.863 -1.440 167 HB2 ASP 24 1HB ASP 24 7.868 14.678 -0.672 168 HB3 ASP 24 2HB ASP 24 7.318 16.232 -1.292 169 H ASP 25 H ASP 25 5.917 14.679 2.070 170 HA ASP 25 HA ASP 25 6.662 12.065 2.371 171 HB2 ASP 25 1HB ASP 25 4.850 13.774 4.072 172 HB3 ASP 25 2HB ASP 25 5.346 12.155 4.561 173 H GLU 26 H GLU 26 3.352 13.301 2.025 174 HA GLU 26 HA GLU 26 2.090 10.775 2.241 175 HB2 GLU 26 1HB GLU 26 1.261 13.486 1.300 176 HB3 GLU 26 2HB GLU 26 0.232 12.112 0.924 177 HG2 GLU 26 1HG GLU 26 1.143 12.474 3.728 178 HG3 GLU 26 2HG GLU 26 -0.115 13.537 3.102 179 H LEU 27 H LEU 27 1.475 9.304 0.720 180 HA LEU 27 HA LEU 27 2.848 9.443 -1.832 181 HB2 LEU 27 1HB LEU 27 2.930 7.378 -0.558 182 HB3 LEU 27 2HB LEU 27 1.171 7.274 -0.579 183 HG LEU 27 HG LEU 27 1.260 6.989 -3.039 184 HD11 LEU 27 1HD1 LEU 27 3.787 7.998 -2.846 185 HD12 LEU 27 2HD1 LEU 27 3.135 7.147 -4.246 186 HD13 LEU 27 3HD1 LEU 27 4.094 6.272 -3.051 187 HD21 LEU 27 3HD2 LEU 27 1.651 5.136 -1.083 188 HD22 LEU 27 1HD2 LEU 27 3.032 4.839 -2.137 189 HD23 LEU 27 2HD2 LEU 27 1.396 4.765 -2.789 190 H THR 28 H THR 28 1.928 9.799 -3.764 191 HA THR 28 HA THR 28 -0.917 10.469 -3.801 192 HB THR 28 HB THR 28 1.089 10.897 -6.018 193 HG1 THR 28 1HG THR 28 1.894 12.213 -4.512 194 HG21 THR 28 3HG2 THR 28 -1.735 11.316 -5.764 195 HG22 THR 28 1HG2 THR 28 -0.692 11.602 -7.157 196 HG23 THR 28 2HG2 THR 28 -0.924 12.871 -5.952 197 H PHE 29 H PHE 29 -2.346 9.032 -4.492 198 HA PHE 29 HA PHE 29 -1.620 7.231 -6.686 199 HB2 PHE 29 1HB PHE 29 -2.767 5.348 -5.506 200 HB3 PHE 29 2HB PHE 29 -1.280 5.876 -4.724 201 HD1 PHE 29 2HD PHE 29 -4.959 5.968 -4.538 202 HD2 PHE 29 1HD PHE 29 -1.290 6.757 -2.528 203 HE1 PHE 29 2HE PHE 29 -6.186 6.276 -2.427 204 HE2 PHE 29 1HE PHE 29 -2.511 7.065 -0.413 205 HZ PHE 29 HZ PHE 29 -4.962 6.825 -0.362 206 H ILE 30 H ILE 30 -3.779 5.882 -7.197 207 HA ILE 30 HA ILE 30 -6.143 7.572 -6.985 208 HB ILE 30 HB ILE 30 -6.575 7.527 -9.399 209 HG12 ILE 30 1HG1 ILE 30 -3.742 6.758 -9.945 210 HG13 ILE 30 2HG1 ILE 30 -4.903 5.480 -9.606 211 HG21 ILE 30 1HG2 ILE 30 -4.066 8.829 -8.404 212 HG22 ILE 30 2HG2 ILE 30 -4.634 9.079 -10.053 213 HG23 ILE 30 3HG2 ILE 30 -5.651 9.547 -8.691 214 HD11 ILE 30 3HD1 ILE 30 -4.398 6.463 -12.058 215 HD12 ILE 30 1HD1 ILE 30 -5.920 5.707 -11.589 216 HD13 ILE 30 2HD1 ILE 30 -5.770 7.465 -11.585 217 H GLU 31 H GLU 31 -8.104 6.492 -7.698 218 HA GLU 31 HA GLU 31 -8.403 3.930 -6.727 219 HB2 GLU 31 1HB GLU 31 -10.246 5.550 -7.204 220 HB3 GLU 31 2HB GLU 31 -10.080 5.170 -8.912 221 HG2 GLU 31 1HG GLU 31 -10.438 2.715 -8.102 222 HG3 GLU 31 2HG GLU 31 -11.154 3.499 -6.695 223 H GLY 32 H GLY 32 -7.548 2.080 -7.394 224 HA2 GLY 32 1HA GLY 32 -7.552 0.327 -9.062 225 HA3 GLY 32 2HA GLY 32 -7.416 1.571 -10.295 226 H GLU 33 H GLU 33 -5.553 1.378 -7.304 227 HA GLU 33 HA GLU 33 -3.166 0.704 -8.881 228 HB2 GLU 33 1HB GLU 33 -3.453 2.938 -6.871 229 HB3 GLU 33 2HB GLU 33 -1.896 2.328 -7.416 230 HG2 GLU 33 1HG GLU 33 -4.009 3.701 -9.052 231 HG3 GLU 33 2HG GLU 33 -2.386 4.276 -8.675 232 H VAL 34 H VAL 34 -1.353 -0.074 -7.542 233 HA VAL 34 HA VAL 34 -2.327 -1.468 -5.134 234 HB VAL 34 HB VAL 34 -0.252 -2.415 -7.114 235 HG11 VAL 34 1HG1 VAL 34 -0.007 -4.371 -5.801 236 HG12 VAL 34 2HG1 VAL 34 0.144 -3.006 -4.693 237 HG13 VAL 34 3HG1 VAL 34 -1.359 -3.927 -4.760 238 HG21 VAL 34 3HG2 VAL 34 -2.709 -2.509 -7.773 239 HG22 VAL 34 1HG2 VAL 34 -1.810 -4.024 -7.837 240 HG23 VAL 34 2HG2 VAL 34 -2.897 -3.700 -6.486 241 H ILE 35 H ILE 35 -1.041 -1.505 -3.327 242 HA ILE 35 HA ILE 35 1.470 0.031 -3.460 243 HB ILE 35 HB ILE 35 -0.584 0.138 -1.247 244 HG12 ILE 35 1HG1 ILE 35 0.354 2.438 -2.947 245 HG13 ILE 35 2HG1 ILE 35 -0.976 1.408 -3.465 246 HG21 ILE 35 1HG2 ILE 35 1.258 0.520 -0.005 247 HG22 ILE 35 2HG2 ILE 35 2.244 0.943 -1.404 248 HG23 ILE 35 3HG2 ILE 35 1.147 2.134 -0.706 249 HD11 ILE 35 3HD1 ILE 35 -2.141 3.050 -2.420 250 HD12 ILE 35 1HD1 ILE 35 -1.880 1.968 -1.052 251 HD13 ILE 35 2HD1 ILE 35 -0.851 3.386 -1.265 252 H ILE 36 H ILE 36 3.163 -0.684 -2.206 253 HA ILE 36 HA ILE 36 2.805 -3.348 -1.016 254 HB ILE 36 HB ILE 36 5.315 -1.996 -2.009 255 HG12 ILE 36 1HG1 ILE 36 3.827 -2.774 -3.800 256 HG13 ILE 36 2HG1 ILE 36 5.290 -3.749 -3.729 257 HG21 ILE 36 1HG2 ILE 36 6.143 -3.311 -0.318 258 HG22 ILE 36 2HG2 ILE 36 4.859 -4.509 -0.474 259 HG23 ILE 36 3HG2 ILE 36 6.159 -4.451 -1.663 260 HD11 ILE 36 3HD1 ILE 36 3.621 -5.313 -4.034 261 HD12 ILE 36 1HD1 ILE 36 3.879 -5.352 -2.290 262 HD13 ILE 36 2HD1 ILE 36 2.500 -4.478 -2.958 263 H VAL 37 H VAL 37 2.309 -3.036 1.086 264 HA VAL 37 HA VAL 37 3.358 -0.949 2.695 265 HB VAL 37 HB VAL 37 2.101 -3.554 3.570 266 HG11 VAL 37 1HG1 VAL 37 1.556 -1.524 5.411 267 HG12 VAL 37 2HG1 VAL 37 2.630 -2.906 5.631 268 HG13 VAL 37 3HG1 VAL 37 3.274 -1.374 5.041 269 HG21 VAL 37 3HG2 VAL 37 0.717 -2.126 2.044 270 HG22 VAL 37 1HG2 VAL 37 0.016 -2.398 3.639 271 HG23 VAL 37 2HG2 VAL 37 0.790 -0.858 3.267 272 H THR 38 H THR 38 5.366 -0.777 3.415 273 HA THR 38 HA THR 38 6.870 -3.242 4.007 274 HB THR 38 HB THR 38 8.931 -2.020 3.508 275 HG1 THR 38 1HG THR 38 8.526 0.091 3.867 276 HG21 THR 38 3HG2 THR 38 6.823 -2.518 1.548 277 HG22 THR 38 1HG2 THR 38 8.527 -2.971 1.516 278 HG23 THR 38 2HG2 THR 38 8.033 -1.360 0.996 279 H GLY 39 H GLY 39 6.344 0.134 4.965 280 HA2 GLY 39 1HA GLY 39 7.231 -0.616 7.683 281 HA3 GLY 39 2HA GLY 39 7.657 0.927 6.960 282 H GLU 40 H GLU 40 4.894 -1.047 7.974 283 HA GLU 40 HA GLU 40 2.916 0.910 7.768 284 HB2 GLU 40 1HB GLU 40 1.563 -0.483 9.120 285 HB3 GLU 40 2HB GLU 40 2.613 -1.569 8.220 286 HG2 GLU 40 1HG GLU 40 2.839 -0.764 11.104 287 HG3 GLU 40 2HG GLU 40 2.502 -2.364 10.449 288 H GLU 41 H GLU 41 2.619 2.760 8.805 289 HA GLU 41 HA GLU 41 4.282 3.498 11.022 290 HB2 GLU 41 1HB GLU 41 3.304 4.977 9.094 291 HB3 GLU 41 2HB GLU 41 1.905 5.099 10.151 292 HG2 GLU 41 1HG GLU 41 3.053 6.936 10.824 293 HG3 GLU 41 2HG GLU 41 3.731 5.746 11.933 294 H ASP 42 H ASP 42 0.745 3.268 10.616 295 HA ASP 42 HA ASP 42 0.548 2.414 13.414 296 HB2 ASP 42 1HB ASP 42 -1.321 4.470 12.231 297 HB3 ASP 42 2HB ASP 42 -1.223 3.943 13.910 298 H GLN 43 H GLN 43 -2.043 2.020 13.749 299 HA GLN 43 HA GLN 43 -2.598 -0.198 12.013 300 HB2 GLN 43 1HB GLN 43 -3.078 -0.034 14.529 301 HB3 GLN 43 2HB GLN 43 -4.480 0.926 14.076 302 HG2 GLN 43 1HG GLN 43 -4.981 -1.112 12.510 303 HG3 GLN 43 2HG GLN 43 -3.942 -1.968 13.649 304 HE21 GLN 43 1HE2 GLN 43 -6.949 -0.279 13.217 305 HE22 GLN 43 2HE2 GLN 43 -7.686 -0.798 14.690 306 H GLU 44 H GLU 44 -3.091 3.043 11.682 307 HA GLU 44 HA GLU 44 -5.504 2.644 10.037 308 HB2 GLU 44 1HB GLU 44 -4.550 5.141 11.448 309 HB3 GLU 44 2HB GLU 44 -5.927 5.075 10.357 310 HG2 GLU 44 1HG GLU 44 -6.866 3.300 11.924 311 HG3 GLU 44 2HG GLU 44 -5.628 3.825 13.063 312 H TRP 45 H TRP 45 -2.286 4.007 10.210 313 HA TRP 45 HA TRP 45 -2.430 4.586 7.324 314 HB2 TRP 45 1HB TRP 45 -0.739 5.947 9.431 315 HB3 TRP 45 2HB TRP 45 -0.659 6.277 7.703 316 HD1 TRP 45 HD TRP 45 -3.284 6.452 10.557 317 HE1 TRP 45 1HE TRP 45 -4.844 8.442 10.072 318 HE3 TRP 45 3HE TRP 45 -1.362 7.910 6.050 319 HZ2 TRP 45 2HZ TRP 45 -5.211 10.374 8.047 320 HZ3 TRP 45 3HZ TRP 45 -2.375 9.838 4.903 321 HH2 TRP 45 HH TRP 45 -4.260 11.042 5.883 322 H TRP 46 H TRP 46 -0.981 3.626 6.020 323 HA TRP 46 HA TRP 46 1.223 2.133 7.287 324 HB2 TRP 46 1HB TRP 46 -0.586 1.291 5.019 325 HB3 TRP 46 2HB TRP 46 0.933 0.480 5.386 326 HD1 TRP 46 HD TRP 46 0.155 1.003 8.690 327 HE1 TRP 46 1HE TRP 46 -1.357 -0.797 9.738 328 HE3 TRP 46 3HE TRP 46 -1.733 -1.062 4.412 329 HZ2 TRP 46 2HZ TRP 46 -3.116 -2.825 8.867 330 HZ3 TRP 46 3HZ TRP 46 -3.326 -2.928 4.606 331 HH2 TRP 46 HH TRP 46 -4.001 -3.790 6.788 332 H ILE 47 H ILE 47 3.042 1.665 5.803 333 HA ILE 47 HA ILE 47 3.401 3.847 3.854 334 HB ILE 47 HB ILE 47 5.606 2.520 5.426 335 HG12 ILE 47 1HG1 ILE 47 4.233 5.168 5.938 336 HG13 ILE 47 2HG1 ILE 47 4.102 3.731 6.946 337 HG21 ILE 47 1HG2 ILE 47 5.703 5.168 4.021 338 HG22 ILE 47 2HG2 ILE 47 7.038 4.141 4.541 339 HG23 ILE 47 3HG2 ILE 47 6.037 3.660 3.172 340 HD11 ILE 47 3HD1 ILE 47 6.438 5.556 6.567 341 HD12 ILE 47 1HD1 ILE 47 5.642 5.057 8.059 342 HD13 ILE 47 2HD1 ILE 47 6.650 3.914 7.172 343 H GLY 48 H GLY 48 3.990 3.322 1.831 344 HA2 GLY 48 1HA GLY 48 5.419 0.922 1.199 345 HA3 GLY 48 2HA GLY 48 3.719 0.806 0.771 346 H HIS 49 H HIS 49 5.565 0.571 -1.197 347 HA HIS 49 HA HIS 49 5.421 3.163 -2.593 348 HB2 HIS 49 1HB HIS 49 7.353 2.277 -3.963 349 HB3 HIS 49 2HB HIS 49 7.724 2.631 -2.278 350 HD1 HIS 49 1HD HIS 49 6.759 -0.396 -4.376 351 HD2 HIS 49 2HD HIS 49 9.000 0.605 -1.023 352 HE1 HIS 49 1HE HIS 49 7.893 -2.525 -3.664 353 HE2 HIS 49 2HE HIS 49 9.175 -1.914 -1.585 354 H ILE 50 H ILE 50 4.603 3.231 -4.645 355 HA ILE 50 HA ILE 50 2.668 1.422 -5.424 356 HB ILE 50 HB ILE 50 4.271 3.289 -7.175 357 HG12 ILE 50 1HG1 ILE 50 3.106 4.529 -5.493 358 HG13 ILE 50 2HG1 ILE 50 2.176 4.685 -6.979 359 HG21 ILE 50 1HG2 ILE 50 3.196 2.498 -8.946 360 HG22 ILE 50 2HG2 ILE 50 2.485 1.244 -7.932 361 HG23 ILE 50 3HG2 ILE 50 1.643 2.776 -8.160 362 HD11 ILE 50 3HD1 ILE 50 1.556 3.026 -4.560 363 HD12 ILE 50 1HD1 ILE 50 0.608 4.330 -5.275 364 HD13 ILE 50 2HD1 ILE 50 0.749 2.782 -6.109 365 H GLU 51 H GLU 51 2.786 -0.604 -6.107 366 HA GLU 51 HA GLU 51 4.969 -2.143 -6.502 367 HB2 GLU 51 1HB GLU 51 2.454 -2.761 -6.586 368 HB3 GLU 51 2HB GLU 51 2.603 -2.502 -8.318 369 HG2 GLU 51 1HG GLU 51 4.211 -4.458 -6.692 370 HG3 GLU 51 2HG GLU 51 2.841 -4.854 -7.727 371 H GLY 52 H GLY 52 6.578 -2.323 -7.929 372 HA2 GLY 52 1HA GLY 52 7.687 -2.241 -9.968 373 HA3 GLY 52 2HA GLY 52 6.229 -1.586 -10.701 374 H GLN 53 H GLN 53 5.953 0.600 -8.827 375 HA GLN 53 HA GLN 53 8.159 2.284 -9.802 376 HB2 GLN 53 1HB GLN 53 5.351 3.067 -9.001 377 HB3 GLN 53 2HB GLN 53 6.598 4.180 -9.553 378 HG2 GLN 53 1HG GLN 53 6.473 3.461 -11.729 379 HG3 GLN 53 2HG GLN 53 5.830 1.882 -11.284 380 HE21 GLN 53 1HE2 GLN 53 4.921 5.294 -10.888 381 HE22 GLN 53 2HE2 GLN 53 3.270 5.083 -11.351 382 HA PRO 54 HA PRO 54 8.861 2.075 -5.263 383 HB2 PRO 54 1HB PRO 54 11.565 2.212 -5.463 384 HB3 PRO 54 2HB PRO 54 10.667 0.696 -5.603 385 HG2 PRO 54 1HG PRO 54 11.767 2.452 -7.764 386 HG3 PRO 54 2HG PRO 54 11.801 0.684 -7.633 387 HD2 PRO 54 1HD PRO 54 10.018 1.994 -9.194 388 HD3 PRO 54 2HD PRO 54 9.635 0.460 -8.388 389 H GLU 55 H GLU 55 10.206 4.198 -7.739 390 HA GLU 55 HA GLU 55 11.366 6.196 -6.306 391 HB2 GLU 55 1HB GLU 55 10.399 7.772 -8.081 392 HB3 GLU 55 2HB GLU 55 11.393 6.435 -8.641 393 HG2 GLU 55 1HG GLU 55 9.530 5.232 -9.413 394 HG3 GLU 55 2HG GLU 55 8.401 6.259 -8.531 395 H ARG 56 H ARG 56 7.972 5.433 -6.474 396 HA ARG 56 HA ARG 56 7.307 7.829 -4.916 397 HB2 ARG 56 1HB ARG 56 5.557 5.849 -6.381 398 HB3 ARG 56 2HB ARG 56 4.937 7.167 -5.395 399 HG2 ARG 56 1HG ARG 56 5.666 8.793 -6.883 400 HG3 ARG 56 2HG ARG 56 6.825 7.706 -7.651 401 HD2 ARG 56 1HD ARG 56 5.154 7.772 -9.231 402 HD3 ARG 56 2HD ARG 56 4.692 6.351 -8.297 403 HE ARG 56 HE ARG 56 2.787 7.442 -7.684 404 HH11 ARG 56 1HH1 ARG 56 5.121 9.793 -8.753 405 HH12 ARG 56 2HH1 ARG 56 4.019 11.126 -8.650 406 HH21 ARG 56 1HH2 ARG 56 1.327 9.189 -7.543 407 HH22 ARG 56 2HH2 ARG 56 1.862 10.783 -7.960 408 H LYS 57 H LYS 57 7.450 7.563 -2.792 409 HA LYS 57 HA LYS 57 6.154 5.244 -1.574 410 HB2 LYS 57 1HB LYS 57 8.052 4.895 -0.037 411 HB3 LYS 57 2HB LYS 57 8.491 4.590 -1.713 412 HG2 LYS 57 1HG LYS 57 9.343 7.016 -1.709 413 HG3 LYS 57 2HG LYS 57 9.270 6.879 0.049 414 HD2 LYS 57 1HD LYS 57 11.444 6.232 -0.387 415 HD3 LYS 57 2HD LYS 57 10.608 4.677 -0.341 416 HE2 LYS 57 1HE LYS 57 10.721 4.401 -2.631 417 HE3 LYS 57 2HE LYS 57 10.880 6.131 -2.936 418 HZ1 LYS 57 3HZ LYS 57 13.065 5.137 -1.406 419 HZ2 LYS 57 1HZ LYS 57 13.078 5.972 -2.877 420 HZ3 LYS 57 2HZ LYS 57 12.910 4.289 -2.863 421 H GLY 58 H GLY 58 4.688 6.058 -0.235 422 HA2 GLY 58 1HA GLY 58 5.464 8.014 1.753 423 HA3 GLY 58 2HA GLY 58 4.288 8.598 0.585 424 H VAL 59 H VAL 59 3.881 8.343 3.401 425 HA VAL 59 HA VAL 59 2.453 6.008 4.079 426 HB VAL 59 HB VAL 59 3.345 7.654 5.728 427 HG11 VAL 59 1HG1 VAL 59 2.715 9.723 4.692 428 HG12 VAL 59 2HG1 VAL 59 1.003 9.298 4.776 429 HG13 VAL 59 3HG1 VAL 59 1.909 9.617 6.256 430 HG21 VAL 59 3HG2 VAL 59 1.880 6.070 6.631 431 HG22 VAL 59 1HG2 VAL 59 1.231 7.615 7.181 432 HG23 VAL 59 2HG2 VAL 59 0.477 6.774 5.826 433 H PHE 60 H PHE 60 0.294 5.509 4.033 434 HA PHE 60 HA PHE 60 -1.566 7.437 2.863 435 HB2 PHE 60 1HB PHE 60 -2.438 5.728 1.294 436 HB3 PHE 60 2HB PHE 60 -0.768 6.168 0.950 437 HD1 PHE 60 2HD PHE 60 1.048 4.633 2.015 438 HD2 PHE 60 1HD PHE 60 -3.015 3.504 1.436 439 HE1 PHE 60 2HE PHE 60 1.695 2.262 2.120 440 HE2 PHE 60 1HE PHE 60 -2.373 1.130 1.542 441 HZ PHE 60 HZ PHE 60 -0.016 0.507 1.883 442 HA PRO 61 HA PRO 61 -4.298 5.856 5.923 443 HB2 PRO 61 1HB PRO 61 -6.678 6.518 4.798 444 HB3 PRO 61 2HB PRO 61 -5.592 7.711 5.519 445 HG2 PRO 61 1HG PRO 61 -5.964 6.986 2.639 446 HG3 PRO 61 2HG PRO 61 -5.793 8.590 3.376 447 HD2 PRO 61 1HD PRO 61 -3.741 7.329 2.139 448 HD3 PRO 61 2HD PRO 61 -3.500 8.418 3.520 449 H VAL 62 H VAL 62 -4.523 3.723 6.189 450 HA VAL 62 HA VAL 62 -4.933 1.824 4.200 451 HB VAL 62 HB VAL 62 -5.702 1.604 7.114 452 HG11 VAL 62 1HG1 VAL 62 -6.424 -0.442 6.649 453 HG12 VAL 62 2HG1 VAL 62 -6.076 -0.187 4.938 454 HG13 VAL 62 3HG1 VAL 62 -4.837 -0.856 6.000 455 HG21 VAL 62 3HG2 VAL 62 -3.129 0.882 5.713 456 HG22 VAL 62 1HG2 VAL 62 -3.364 2.237 6.818 457 HG23 VAL 62 2HG2 VAL 62 -3.500 0.580 7.410 458 H SER 63 H SER 63 -7.204 3.843 5.867 459 HA SER 63 HA SER 63 -9.543 2.322 5.376 460 HB2 SER 63 1HB SER 63 -8.981 5.157 6.145 461 HB3 SER 63 2HB SER 63 -10.607 4.725 5.616 462 HG SER 63 HG SER 63 -10.893 3.575 7.383 463 H PHE 64 H PHE 64 -7.503 3.957 3.287 464 HA PHE 64 HA PHE 64 -9.617 4.534 1.342 465 HB2 PHE 64 1HB PHE 64 -6.789 5.426 1.688 466 HB3 PHE 64 2HB PHE 64 -7.468 5.414 0.063 467 HD1 PHE 64 2HD PHE 64 -8.574 6.458 3.476 468 HD2 PHE 64 1HD PHE 64 -8.279 7.423 -0.659 469 HE1 PHE 64 2HE PHE 64 -9.642 8.632 3.910 470 HE2 PHE 64 1HE PHE 64 -9.345 9.599 -0.230 471 HZ PHE 64 HZ PHE 64 -10.029 10.205 2.056 472 H VAL 65 H VAL 65 -7.260 2.199 2.104 473 HA VAL 65 HA VAL 65 -7.496 1.021 -0.589 474 HB VAL 65 HB VAL 65 -5.368 -0.008 -0.340 475 HG11 VAL 65 1HG1 VAL 65 -5.345 2.868 0.541 476 HG12 VAL 65 2HG1 VAL 65 -3.879 1.979 0.120 477 HG13 VAL 65 3HG1 VAL 65 -5.141 2.227 -1.088 478 HG21 VAL 65 3HG2 VAL 65 -4.566 -0.640 1.633 479 HG22 VAL 65 1HG2 VAL 65 -4.415 1.044 2.137 480 HG23 VAL 65 2HG2 VAL 65 -5.919 0.169 2.424 481 H HIS 66 H HIS 66 -7.438 -1.357 -0.652 482 HA HIS 66 HA HIS 66 -8.491 -2.607 1.792 483 HB2 HIS 66 1HB HIS 66 -10.305 -3.577 0.704 484 HB3 HIS 66 2HB HIS 66 -10.246 -1.973 -0.021 485 HD1 HIS 66 1HD HIS 66 -10.914 -5.199 -1.048 486 HD2 HIS 66 2HD HIS 66 -8.305 -2.300 -2.478 487 HE1 HIS 66 1HE HIS 66 -10.445 -5.836 -3.435 488 HE2 HIS 66 2HE HIS 66 -8.797 -4.115 -4.254 489 H ILE 67 H ILE 67 -7.322 -4.311 2.352 490 HA ILE 67 HA ILE 67 -5.178 -5.321 0.903 491 HB ILE 67 HB ILE 67 -6.772 -6.806 2.994 492 HG12 ILE 67 1HG1 ILE 67 -4.323 -5.076 3.381 493 HG13 ILE 67 2HG1 ILE 67 -5.967 -4.516 3.669 494 HG21 ILE 67 1HG2 ILE 67 -3.852 -7.169 2.646 495 HG22 ILE 67 2HG2 ILE 67 -5.089 -8.325 3.137 496 HG23 ILE 67 3HG2 ILE 67 -4.911 -7.894 1.437 497 HD11 ILE 67 3HD1 ILE 67 -6.239 -5.879 5.519 498 HD12 ILE 67 1HD1 ILE 67 -4.927 -6.956 5.043 499 HD13 ILE 67 2HD1 ILE 67 -4.566 -5.341 5.655 500 H LEU 68 H LEU 68 -5.154 -6.417 -0.936 501 HA LEU 68 HA LEU 68 -7.471 -7.683 -2.008 502 HB2 LEU 68 1HB LEU 68 -4.606 -7.897 -2.915 503 HB3 LEU 68 2HB LEU 68 -6.034 -8.328 -3.852 504 HG LEU 68 HG LEU 68 -5.701 -5.520 -2.888 505 HD11 LEU 68 1HD1 LEU 68 -4.690 -5.357 -5.377 506 HD12 LEU 68 2HD1 LEU 68 -4.017 -6.905 -4.868 507 HD13 LEU 68 3HD1 LEU 68 -3.701 -5.452 -3.921 508 HD21 LEU 68 3HD2 LEU 68 -7.782 -5.907 -3.887 509 HD22 LEU 68 1HD2 LEU 68 -7.088 -6.916 -5.155 510 HD23 LEU 68 2HD2 LEU 68 -6.813 -5.174 -5.166 511 H SER 69 H SER 69 -8.148 -9.347 -0.704 512 HA SER 69 HA SER 69 -6.257 -11.478 -0.053 513 HB2 SER 69 1HB SER 69 -7.769 -10.609 1.720 514 HB3 SER 69 2HB SER 69 -9.152 -11.169 0.781 515 HG SER 69 HG SER 69 -8.034 -12.561 2.544 516 H ASP 70 H ASP 70 -5.945 -12.691 -1.849 517 HA ASP 70 HA ASP 70 -8.126 -13.437 -3.577 518 HB2 ASP 70 1HB ASP 70 -5.565 -13.078 -4.124 519 HB3 ASP 70 2HB ASP 70 -5.462 -14.784 -3.699 520 H SER 71 H SER 71 -9.151 -15.380 -3.714 521 HA SER 71 HA SER 71 -8.469 -17.380 -1.659 522 HB2 SER 71 1HB SER 71 -11.132 -16.331 -2.565 523 HB3 SER 71 2HB SER 71 -11.004 -17.954 -1.887 524 HG SER 71 HG SER 71 -10.050 -15.613 -0.601 525 H GLY 72 H GLY 72 -8.243 -19.458 -2.289 526 HA2 GLY 72 1HA GLY 72 -9.387 -20.955 -4.177 527 HA3 GLY 72 2HA GLY 72 -8.294 -19.983 -5.152 528 HA PRO 73 HA PRO 73 -5.492 -22.632 -2.226 529 HB2 PRO 73 1HB PRO 73 -6.734 -24.573 -0.791 530 HB3 PRO 73 2HB PRO 73 -6.494 -22.933 -0.180 531 HG2 PRO 73 1HG PRO 73 -8.933 -24.158 -1.408 532 HG3 PRO 73 2HG PRO 73 -8.805 -23.102 0.011 533 HD2 PRO 73 1HD PRO 73 -9.561 -22.187 -2.423 534 HD3 PRO 73 2HD PRO 73 -8.651 -21.191 -1.269 535 H SER 74 H SER 74 -8.362 -24.397 -3.376 536 HA SER 74 HA SER 74 -7.198 -26.807 -4.037 537 HB2 SER 74 1HB SER 74 -9.412 -25.330 -5.479 538 HB3 SER 74 2HB SER 74 -9.012 -27.028 -5.740 539 HG SER 74 HG SER 74 -10.209 -27.444 -4.079 540 H SER 75 H SER 75 -6.145 -27.646 -5.806 541 HA SER 75 HA SER 75 -4.550 -25.806 -7.313 542 HB2 SER 75 1HB SER 75 -3.527 -27.803 -8.286 543 HB3 SER 75 2HB SER 75 -3.669 -27.983 -6.537 544 HG SER 75 HG SER 75 -4.376 -29.867 -7.521 545 H GLY 76 H GLY 76 -4.517 -25.507 -9.562 546 HA2 GLY 76 1HA GLY 76 -5.696 -24.885 -11.467 547 HA3 GLY 76 2HA GLY 76 -5.865 -26.631 -11.583 Start of MODEL 2 1 H1 GLY 1 H GLY 1 26.037 -3.366 3.830 2 HA2 GLY 1 1HA GLY 1 24.795 -4.568 5.373 3 HA3 GLY 1 2HA GLY 1 25.667 -3.749 6.660 4 H SER 2 H SER 2 22.698 -4.154 5.331 5 HA SER 2 HA SER 2 21.680 -1.777 6.680 6 HB2 SER 2 1HB SER 2 22.017 -1.256 4.210 7 HB3 SER 2 2HB SER 2 20.751 -2.439 3.882 8 HG SER 2 HG SER 2 20.331 0.026 4.336 9 H SER 3 H SER 3 20.081 -2.368 7.974 10 HA SER 3 HA SER 3 18.868 -4.975 7.698 11 HB2 SER 3 1HB SER 3 18.484 -2.783 9.750 12 HB3 SER 3 2HB SER 3 17.711 -4.366 9.829 13 HG SER 3 HG SER 3 19.654 -4.261 11.056 14 H GLY 4 H GLY 4 18.228 -3.355 5.531 15 HA2 GLY 4 1HA GLY 4 15.897 -1.872 5.648 16 HA3 GLY 4 2HA GLY 4 16.397 -2.816 4.253 17 H SER 5 H SER 5 15.993 -5.273 4.584 18 HA SER 5 HA SER 5 13.408 -5.677 5.926 19 HB2 SER 5 1HB SER 5 13.136 -5.309 3.443 20 HB3 SER 5 2HB SER 5 14.063 -6.788 3.191 21 HG SER 5 HG SER 5 12.114 -7.622 3.295 22 H SER 6 H SER 6 14.365 -6.817 7.600 23 HA SER 6 HA SER 6 15.775 -9.293 6.869 24 HB2 SER 6 1HB SER 6 15.710 -7.824 9.517 25 HB3 SER 6 2HB SER 6 16.625 -9.295 9.183 26 HG SER 6 HG SER 6 18.120 -8.107 8.326 27 H GLY 7 H GLY 7 13.871 -10.470 6.393 28 HA2 GLY 7 1HA GLY 7 12.080 -11.829 6.867 29 HA3 GLY 7 2HA GLY 7 12.864 -12.057 8.423 30 H ASN 8 H ASN 8 10.459 -10.232 6.656 31 HA ASN 8 HA ASN 8 9.168 -9.584 9.202 32 HB2 ASN 8 1HB ASN 8 9.610 -7.589 6.969 33 HB3 ASN 8 2HB ASN 8 8.655 -7.302 8.422 34 HD21 ASN 8 1HD2 ASN 8 9.972 -7.944 10.485 35 HD22 ASN 8 2HD2 ASN 8 11.556 -7.257 10.559 36 H LYS 9 H LYS 9 6.908 -8.553 8.658 37 HA LYS 9 HA LYS 9 5.665 -10.326 6.673 38 HB2 LYS 9 1HB LYS 9 5.024 -10.261 9.213 39 HB3 LYS 9 2HB LYS 9 4.115 -8.827 8.754 40 HG2 LYS 9 1HG LYS 9 2.605 -10.635 8.675 41 HG3 LYS 9 2HG LYS 9 2.991 -10.240 6.999 42 HD2 LYS 9 1HD LYS 9 3.194 -12.527 6.954 43 HD3 LYS 9 2HD LYS 9 4.854 -12.063 7.335 44 HE2 LYS 9 1HE LYS 9 4.312 -13.809 8.825 45 HE3 LYS 9 2HE LYS 9 4.226 -12.324 9.771 46 HZ1 LYS 9 3HZ LYS 9 2.330 -13.573 10.327 47 HZ2 LYS 9 1HZ LYS 9 1.979 -13.937 8.712 48 HZ3 LYS 9 2HZ LYS 9 1.772 -12.361 9.289 49 H VAL 10 H VAL 10 5.088 -9.432 4.814 50 HA VAL 10 HA VAL 10 4.696 -6.538 4.665 51 HB VAL 10 HB VAL 10 5.001 -6.690 2.331 52 HG11 VAL 10 1HG1 VAL 10 6.842 -8.809 3.419 53 HG12 VAL 10 2HG1 VAL 10 7.156 -7.664 2.113 54 HG13 VAL 10 3HG1 VAL 10 7.023 -7.093 3.778 55 HG21 VAL 10 3HG2 VAL 10 5.124 -8.878 1.146 56 HG22 VAL 10 1HG2 VAL 10 4.594 -9.662 2.633 57 HG23 VAL 10 2HG2 VAL 10 3.531 -8.518 1.814 58 H ARG 11 H ARG 11 2.976 -5.888 2.953 59 HA ARG 11 HA ARG 11 0.598 -7.569 3.048 60 HB2 ARG 11 1HB ARG 11 0.285 -4.698 3.839 61 HB3 ARG 11 2HB ARG 11 -0.785 -6.060 4.148 62 HG2 ARG 11 1HG ARG 11 1.249 -6.898 5.593 63 HG3 ARG 11 2HG ARG 11 1.639 -5.177 5.619 64 HD2 ARG 11 1HD ARG 11 -0.899 -4.937 6.242 65 HD3 ARG 11 2HD ARG 11 -0.715 -6.614 6.754 66 HE ARG 11 HE ARG 11 1.291 -4.819 7.791 67 HH11 ARG 11 1HH1 ARG 11 -1.846 -6.246 8.285 68 HH12 ARG 11 2HH1 ARG 11 -1.826 -6.012 10.002 69 HH21 ARG 11 1HH2 ARG 11 1.329 -4.507 10.049 70 HH22 ARG 11 2HH2 ARG 11 -0.020 -5.022 11.004 71 H ARG 12 H ARG 12 -0.707 -7.331 1.298 72 HA ARG 12 HA ARG 12 0.082 -5.274 -0.659 73 HB2 ARG 12 1HB ARG 12 -0.666 -8.142 -0.944 74 HB3 ARG 12 2HB ARG 12 -1.150 -7.040 -2.227 75 HG2 ARG 12 1HG ARG 12 1.277 -6.301 -2.304 76 HG3 ARG 12 2HG ARG 12 1.621 -7.710 -1.296 77 HD2 ARG 12 1HD ARG 12 0.695 -9.181 -2.982 78 HD3 ARG 12 2HD ARG 12 0.230 -7.796 -3.970 79 HE ARG 12 HE ARG 12 3.006 -7.733 -3.460 80 HH11 ARG 12 1HH1 ARG 12 0.615 -9.453 -5.317 81 HH12 ARG 12 2HH1 ARG 12 1.719 -9.888 -6.579 82 HH21 ARG 12 1HH2 ARG 12 4.469 -8.299 -5.116 83 HH22 ARG 12 2HH2 ARG 12 3.911 -9.231 -6.464 84 H VAL 13 H VAL 13 -1.366 -3.725 -0.952 85 HA VAL 13 HA VAL 13 -4.224 -4.391 -0.687 86 HB VAL 13 HB VAL 13 -4.665 -2.219 0.287 87 HG11 VAL 13 1HG1 VAL 13 -4.187 -2.900 2.369 88 HG12 VAL 13 2HG1 VAL 13 -3.494 -4.317 1.577 89 HG13 VAL 13 3HG1 VAL 13 -2.454 -2.973 2.053 90 HG21 VAL 13 3HG2 VAL 13 -2.051 -1.335 0.979 91 HG22 VAL 13 1HG2 VAL 13 -2.116 -1.576 -0.767 92 HG23 VAL 13 2HG2 VAL 13 -3.277 -0.506 0.020 93 H LYS 14 H LYS 14 -5.589 -2.529 -1.670 94 HA LYS 14 HA LYS 14 -4.318 -1.451 -4.084 95 HB2 LYS 14 1HB LYS 14 -5.402 -3.559 -4.729 96 HB3 LYS 14 2HB LYS 14 -6.923 -2.988 -4.053 97 HG2 LYS 14 1HG LYS 14 -6.491 -0.992 -5.741 98 HG3 LYS 14 2HG LYS 14 -5.560 -2.237 -6.575 99 HD2 LYS 14 1HD LYS 14 -7.722 -3.674 -6.155 100 HD3 LYS 14 2HD LYS 14 -8.490 -2.089 -6.034 101 HE2 LYS 14 1HE LYS 14 -7.324 -1.567 -8.253 102 HE3 LYS 14 2HE LYS 14 -7.041 -3.304 -8.368 103 HZ1 LYS 14 3HZ LYS 14 -9.693 -1.987 -8.129 104 HZ2 LYS 14 1HZ LYS 14 -9.433 -3.657 -8.204 105 HZ3 LYS 14 2HZ LYS 14 -9.051 -2.681 -9.532 106 H THR 15 H THR 15 -4.833 0.610 -4.441 107 HA THR 15 HA THR 15 -6.390 2.096 -2.642 108 HB THR 15 HB THR 15 -6.200 3.953 -4.282 109 HG1 THR 15 1HG THR 15 -6.117 3.222 -6.286 110 HG21 THR 15 3HG2 THR 15 -4.382 3.830 -2.817 111 HG22 THR 15 1HG2 THR 15 -3.627 3.867 -4.410 112 HG23 THR 15 2HG2 THR 15 -3.778 2.339 -3.541 113 H ILE 16 H ILE 16 -8.471 1.328 -2.443 114 HA ILE 16 HA ILE 16 -10.158 0.846 -4.705 115 HB ILE 16 HB ILE 16 -11.988 0.755 -2.957 116 HG12 ILE 16 1HG1 ILE 16 -9.709 0.818 -0.984 117 HG13 ILE 16 2HG1 ILE 16 -10.651 2.255 -1.367 118 HG21 ILE 16 1HG2 ILE 16 -10.322 -1.125 -3.788 119 HG22 ILE 16 2HG2 ILE 16 -9.825 -1.089 -2.097 120 HG23 ILE 16 3HG2 ILE 16 -11.504 -1.429 -2.516 121 HD11 ILE 16 3HD1 ILE 16 -12.545 1.444 -0.348 122 HD12 ILE 16 1HD1 ILE 16 -12.041 -0.238 -0.509 123 HD13 ILE 16 2HD1 ILE 16 -11.270 0.804 0.688 124 H TYR 17 H TYR 17 -9.090 3.648 -3.252 125 HA TYR 17 HA TYR 17 -11.251 5.179 -4.501 126 HB2 TYR 17 1HB TYR 17 -10.210 5.715 -1.711 127 HB3 TYR 17 2HB TYR 17 -11.384 6.697 -2.579 128 HD1 TYR 17 1HD TYR 17 -13.146 4.653 -3.743 129 HD2 TYR 17 2HD TYR 17 -11.366 4.854 0.115 130 HE1 TYR 17 1HE TYR 17 -14.972 3.275 -2.836 131 HE2 TYR 17 2HE TYR 17 -13.185 3.476 1.033 132 HH TYR 17 HH TYR 17 -15.801 3.078 0.178 133 H ASP 18 H ASP 18 -10.674 7.392 -4.978 134 HA ASP 18 HA ASP 18 -7.913 7.614 -5.788 135 HB2 ASP 18 1HB ASP 18 -8.663 9.768 -6.806 136 HB3 ASP 18 2HB ASP 18 -9.596 8.371 -7.339 137 H CYS 19 H CYS 19 -6.388 9.021 -5.027 138 HA CYS 19 HA CYS 19 -7.094 10.905 -2.923 139 HB2 CYS 19 1HB CYS 19 -6.426 8.524 -2.015 140 HB3 CYS 19 2HB CYS 19 -4.792 9.076 -2.367 141 HG CYS 19 HG CYS 19 -5.712 11.564 -0.799 142 H GLN 20 H GLN 20 -6.230 12.753 -3.578 143 HA GLN 20 HA GLN 20 -3.712 12.700 -5.081 144 HB2 GLN 20 1HB GLN 20 -5.697 13.828 -6.094 145 HB3 GLN 20 2HB GLN 20 -5.668 14.982 -4.767 146 HG2 GLN 20 1HG GLN 20 -4.556 16.120 -6.422 147 HG3 GLN 20 2HG GLN 20 -3.226 15.404 -5.514 148 HE21 GLN 20 1HE2 GLN 20 -2.254 15.981 -7.700 149 HE22 GLN 20 2HE2 GLN 20 -2.252 14.726 -8.886 150 H ALA 21 H ALA 21 -2.221 12.540 -3.423 151 HA ALA 21 HA ALA 21 -2.283 14.190 -1.102 152 HB1 ALA 21 3HB ALA 21 -1.150 12.118 -0.922 153 HB2 ALA 21 1HB ALA 21 -0.134 12.471 -2.320 154 HB3 ALA 21 2HB ALA 21 0.087 13.371 -0.820 155 H ASP 22 H ASP 22 -1.424 16.151 -0.734 156 HA ASP 22 HA ASP 22 -0.246 17.556 -3.008 157 HB2 ASP 22 1HB ASP 22 -2.093 18.686 -1.931 158 HB3 ASP 22 2HB ASP 22 -1.311 18.551 -0.358 159 H ASN 23 H ASN 23 0.454 16.772 0.372 160 HA ASN 23 HA ASN 23 3.039 18.035 0.299 161 HB2 ASN 23 1HB ASN 23 1.441 16.533 2.314 162 HB3 ASN 23 2HB ASN 23 3.187 16.582 2.534 163 HD21 ASN 23 1HD2 ASN 23 0.247 18.292 2.770 164 HD22 ASN 23 2HD2 ASN 23 0.895 19.783 3.357 165 H ASP 24 H ASP 24 4.987 16.709 1.029 166 HA ASP 24 HA ASP 24 5.449 14.675 -0.917 167 HB2 ASP 24 1HB ASP 24 7.368 15.894 -0.467 168 HB3 ASP 24 2HB ASP 24 7.062 15.931 1.267 169 H ASP 25 H ASP 25 5.344 14.637 2.643 170 HA ASP 25 HA ASP 25 5.794 11.990 3.140 171 HB2 ASP 25 1HB ASP 25 4.084 12.328 5.071 172 HB3 ASP 25 2HB ASP 25 5.548 13.308 5.046 173 H GLU 26 H GLU 26 2.706 13.478 2.229 174 HA GLU 26 HA GLU 26 1.257 11.017 2.300 175 HB2 GLU 26 1HB GLU 26 0.648 13.749 1.189 176 HB3 GLU 26 2HB GLU 26 -0.460 12.399 0.993 177 HG2 GLU 26 1HG GLU 26 -0.765 12.206 3.345 178 HG3 GLU 26 2HG GLU 26 0.530 13.359 3.664 179 H LEU 27 H LEU 27 1.149 9.476 0.808 180 HA LEU 27 HA LEU 27 2.593 9.771 -1.669 181 HB2 LEU 27 1HB LEU 27 2.727 7.696 -0.410 182 HB3 LEU 27 2HB LEU 27 0.985 7.473 -0.562 183 HG LEU 27 HG LEU 27 1.312 7.289 -3.039 184 HD11 LEU 27 1HD1 LEU 27 4.183 6.704 -2.600 185 HD12 LEU 27 2HD1 LEU 27 3.702 8.398 -2.692 186 HD13 LEU 27 3HD1 LEU 27 3.351 7.310 -4.034 187 HD21 LEU 27 3HD2 LEU 27 0.982 5.287 -1.809 188 HD22 LEU 27 1HD2 LEU 27 2.633 5.315 -1.190 189 HD23 LEU 27 2HD2 LEU 27 2.337 4.996 -2.899 190 H THR 28 H THR 28 1.781 10.094 -3.655 191 HA THR 28 HA THR 28 -1.076 10.632 -3.877 192 HB THR 28 HB THR 28 1.051 11.057 -5.980 193 HG1 THR 28 1HG THR 28 0.958 13.266 -5.195 194 HG21 THR 28 3HG2 THR 28 -1.833 11.701 -5.729 195 HG22 THR 28 1HG2 THR 28 -0.881 11.310 -7.161 196 HG23 THR 28 2HG2 THR 28 -0.797 12.926 -6.460 197 H PHE 29 H PHE 29 -2.453 9.208 -4.694 198 HA PHE 29 HA PHE 29 -1.606 7.394 -6.806 199 HB2 PHE 29 1HB PHE 29 -2.555 5.423 -5.638 200 HB3 PHE 29 2HB PHE 29 -1.152 6.090 -4.810 201 HD1 PHE 29 2HD PHE 29 -4.814 5.761 -4.721 202 HD2 PHE 29 1HD PHE 29 -1.325 7.009 -2.625 203 HE1 PHE 29 2HE PHE 29 -6.126 5.934 -2.647 204 HE2 PHE 29 1HE PHE 29 -2.632 7.183 -0.547 205 HZ PHE 29 HZ PHE 29 -5.035 6.647 -0.556 206 H ILE 30 H ILE 30 -3.586 6.013 -7.500 207 HA ILE 30 HA ILE 30 -6.065 7.567 -7.238 208 HB ILE 30 HB ILE 30 -6.512 7.290 -9.648 209 HG12 ILE 30 1HG1 ILE 30 -3.613 6.596 -10.026 210 HG13 ILE 30 2HG1 ILE 30 -4.811 5.329 -9.780 211 HG21 ILE 30 1HG2 ILE 30 -3.992 8.775 -8.928 212 HG22 ILE 30 2HG2 ILE 30 -4.877 8.989 -10.437 213 HG23 ILE 30 3HG2 ILE 30 -5.641 9.397 -8.900 214 HD11 ILE 30 3HD1 ILE 30 -4.655 5.465 -12.076 215 HD12 ILE 30 1HD1 ILE 30 -6.065 6.467 -11.726 216 HD13 ILE 30 2HD1 ILE 30 -4.508 7.223 -12.065 217 H GLU 31 H GLU 31 -7.998 6.377 -7.857 218 HA GLU 31 HA GLU 31 -8.148 3.846 -6.717 219 HB2 GLU 31 1HB GLU 31 -10.100 5.289 -7.019 220 HB3 GLU 31 2HB GLU 31 -9.990 5.098 -8.762 221 HG2 GLU 31 1HG GLU 31 -10.202 2.555 -8.198 222 HG3 GLU 31 2HG GLU 31 -10.903 3.160 -6.698 223 H GLY 32 H GLY 32 -7.153 2.064 -7.392 224 HA2 GLY 32 1HA GLY 32 -7.391 0.268 -9.095 225 HA3 GLY 32 2HA GLY 32 -7.115 1.519 -10.298 226 H GLU 33 H GLU 33 -5.271 1.841 -7.445 227 HA GLU 33 HA GLU 33 -2.900 0.869 -8.890 228 HB2 GLU 33 1HB GLU 33 -3.176 2.914 -6.685 229 HB3 GLU 33 2HB GLU 33 -1.632 2.328 -7.284 230 HG2 GLU 33 1HG GLU 33 -2.673 3.072 -9.602 231 HG3 GLU 33 2HG GLU 33 -3.598 4.144 -8.554 232 H VAL 34 H VAL 34 -1.088 0.167 -7.330 233 HA VAL 34 HA VAL 34 -2.198 -1.407 -5.107 234 HB VAL 34 HB VAL 34 -0.225 -2.427 -7.156 235 HG11 VAL 34 1HG1 VAL 34 0.245 -4.179 -5.828 236 HG12 VAL 34 2HG1 VAL 34 -0.285 -3.108 -4.530 237 HG13 VAL 34 3HG1 VAL 34 -1.404 -4.286 -5.214 238 HG21 VAL 34 3HG2 VAL 34 -2.545 -4.058 -6.852 239 HG22 VAL 34 1HG2 VAL 34 -3.051 -2.396 -7.158 240 HG23 VAL 34 2HG2 VAL 34 -1.968 -3.210 -8.288 241 H ILE 35 H ILE 35 -1.224 -0.833 -3.290 242 HA ILE 35 HA ILE 35 1.489 0.272 -3.403 243 HB ILE 35 HB ILE 35 -0.491 0.326 -1.123 244 HG12 ILE 35 1HG1 ILE 35 0.340 2.667 -2.823 245 HG13 ILE 35 2HG1 ILE 35 -1.018 1.644 -3.279 246 HG21 ILE 35 1HG2 ILE 35 1.236 2.316 -0.603 247 HG22 ILE 35 2HG2 ILE 35 1.424 0.678 0.020 248 HG23 ILE 35 3HG2 ILE 35 2.316 1.183 -1.416 249 HD11 ILE 35 3HD1 ILE 35 -1.924 2.136 -0.940 250 HD12 ILE 35 1HD1 ILE 35 -0.735 3.437 -0.902 251 HD13 ILE 35 2HD1 ILE 35 -1.988 3.423 -2.144 252 H ILE 36 H ILE 36 3.142 -0.474 -2.056 253 HA ILE 36 HA ILE 36 2.727 -3.202 -1.029 254 HB ILE 36 HB ILE 36 5.300 -1.902 -1.929 255 HG12 ILE 36 1HG1 ILE 36 3.713 -2.450 -3.766 256 HG13 ILE 36 2HG1 ILE 36 5.196 -3.395 -3.835 257 HG21 ILE 36 1HG2 ILE 36 6.117 -4.312 -1.767 258 HG22 ILE 36 2HG2 ILE 36 5.885 -3.436 -0.256 259 HG23 ILE 36 3HG2 ILE 36 4.680 -4.608 -0.788 260 HD11 ILE 36 3HD1 ILE 36 4.063 -5.292 -3.734 261 HD12 ILE 36 1HD1 ILE 36 3.184 -4.762 -2.300 262 HD13 ILE 36 2HD1 ILE 36 2.587 -4.344 -3.906 263 H VAL 37 H VAL 37 2.328 -3.053 1.097 264 HA VAL 37 HA VAL 37 3.303 -1.028 2.801 265 HB VAL 37 HB VAL 37 2.378 -3.778 3.635 266 HG11 VAL 37 1HG1 VAL 37 2.664 -3.051 5.711 267 HG12 VAL 37 2HG1 VAL 37 3.310 -1.529 5.091 268 HG13 VAL 37 3HG1 VAL 37 1.579 -1.697 5.395 269 HG21 VAL 37 3HG2 VAL 37 0.140 -2.703 3.865 270 HG22 VAL 37 1HG2 VAL 37 0.782 -1.299 3.012 271 HG23 VAL 37 2HG2 VAL 37 0.692 -2.861 2.197 272 H THR 38 H THR 38 5.353 -0.726 3.349 273 HA THR 38 HA THR 38 7.016 -3.091 3.924 274 HB THR 38 HB THR 38 8.989 -1.766 3.182 275 HG1 THR 38 1HG THR 38 8.216 0.048 1.677 276 HG21 THR 38 3HG2 THR 38 6.780 -2.514 1.316 277 HG22 THR 38 1HG2 THR 38 8.357 -3.268 1.549 278 HG23 THR 38 2HG2 THR 38 8.228 -1.742 0.673 279 H GLY 39 H GLY 39 6.100 0.169 4.792 280 HA2 GLY 39 1HA GLY 39 7.513 -0.202 7.358 281 HA3 GLY 39 2HA GLY 39 7.560 1.336 6.509 282 H GLU 40 H GLU 40 4.869 -0.916 7.079 283 HA GLU 40 HA GLU 40 2.840 0.823 7.413 284 HB2 GLU 40 1HB GLU 40 1.711 -0.805 8.784 285 HB3 GLU 40 2HB GLU 40 2.653 -1.653 7.564 286 HG2 GLU 40 1HG GLU 40 3.257 -1.350 10.488 287 HG3 GLU 40 2HG GLU 40 2.938 -2.831 9.586 288 H GLU 41 H GLU 41 2.645 2.622 8.559 289 HA GLU 41 HA GLU 41 4.261 3.147 10.864 290 HB2 GLU 41 1HB GLU 41 2.244 4.643 9.270 291 HB3 GLU 41 2HB GLU 41 2.526 5.180 10.921 292 HG2 GLU 41 1HG GLU 41 4.881 4.715 9.175 293 HG3 GLU 41 2HG GLU 41 3.894 6.148 8.891 294 H ASP 42 H ASP 42 0.716 3.295 10.508 295 HA ASP 42 HA ASP 42 0.487 2.082 13.182 296 HB2 ASP 42 1HB ASP 42 -1.489 4.122 12.209 297 HB3 ASP 42 2HB ASP 42 -1.139 3.617 13.859 298 H GLN 43 H GLN 43 -1.940 1.434 13.539 299 HA GLN 43 HA GLN 43 -2.522 -0.572 11.624 300 HB2 GLN 43 1HB GLN 43 -4.075 0.486 13.984 301 HB3 GLN 43 2HB GLN 43 -4.634 -0.856 12.995 302 HG2 GLN 43 1HG GLN 43 -3.606 -1.888 14.795 303 HG3 GLN 43 2HG GLN 43 -2.378 -1.939 13.532 304 HE21 GLN 43 1HE2 GLN 43 -0.514 -1.837 14.590 305 HE22 GLN 43 2HE2 GLN 43 -0.076 -0.620 15.735 306 H GLU 44 H GLU 44 -3.388 2.727 11.874 307 HA GLU 44 HA GLU 44 -5.632 2.387 10.012 308 HB2 GLU 44 1HB GLU 44 -4.774 4.783 11.644 309 HB3 GLU 44 2HB GLU 44 -6.142 4.761 10.539 310 HG2 GLU 44 1HG GLU 44 -7.085 2.883 11.923 311 HG3 GLU 44 2HG GLU 44 -5.815 3.222 13.097 312 H TRP 45 H TRP 45 -2.370 3.386 10.187 313 HA TRP 45 HA TRP 45 -2.530 4.363 7.418 314 HB2 TRP 45 1HB TRP 45 -0.968 5.593 9.695 315 HB3 TRP 45 2HB TRP 45 -0.687 5.984 8.001 316 HD1 TRP 45 HD TRP 45 -3.538 6.186 10.616 317 HE1 TRP 45 1HE TRP 45 -5.032 8.193 10.008 318 HE3 TRP 45 3HE TRP 45 -1.285 7.582 6.245 319 HZ2 TRP 45 2HZ TRP 45 -5.229 10.112 7.948 320 HZ3 TRP 45 3HZ TRP 45 -2.188 9.513 5.017 321 HH2 TRP 45 HH TRP 45 -4.119 10.750 5.852 322 H TRP 46 H TRP 46 -1.101 3.468 6.060 323 HA TRP 46 HA TRP 46 1.142 1.949 7.221 324 HB2 TRP 46 1HB TRP 46 -0.734 1.179 4.989 325 HB3 TRP 46 2HB TRP 46 0.836 0.409 5.202 326 HD1 TRP 46 HD TRP 46 0.189 0.738 8.586 327 HE1 TRP 46 1HE TRP 46 -1.155 -1.209 9.600 328 HE3 TRP 46 3HE TRP 46 -1.731 -1.252 4.286 329 HZ2 TRP 46 2HZ TRP 46 -2.809 -3.310 8.698 330 HZ3 TRP 46 3HZ TRP 46 -3.185 -3.231 4.449 331 HH2 TRP 46 HH TRP 46 -3.711 -4.238 6.609 332 H ILE 47 H ILE 47 2.934 1.563 5.667 333 HA ILE 47 HA ILE 47 3.206 3.809 3.777 334 HB ILE 47 HB ILE 47 5.307 2.636 5.599 335 HG12 ILE 47 1HG1 ILE 47 4.315 5.480 5.343 336 HG13 ILE 47 2HG1 ILE 47 3.705 4.336 6.534 337 HG21 ILE 47 1HG2 ILE 47 5.551 4.443 3.220 338 HG22 ILE 47 2HG2 ILE 47 6.734 4.482 4.527 339 HG23 ILE 47 3HG2 ILE 47 6.477 2.996 3.614 340 HD11 ILE 47 3HD1 ILE 47 6.523 5.363 6.311 341 HD12 ILE 47 1HD1 ILE 47 5.335 5.782 7.545 342 HD13 ILE 47 2HD1 ILE 47 5.978 4.141 7.460 343 H GLY 48 H GLY 48 3.800 3.316 1.752 344 HA2 GLY 48 1HA GLY 48 5.357 0.986 1.121 345 HA3 GLY 48 2HA GLY 48 3.669 0.810 0.668 346 H HIS 49 H HIS 49 5.653 0.701 -1.234 347 HA HIS 49 HA HIS 49 5.540 3.314 -2.572 348 HB2 HIS 49 1HB HIS 49 7.344 2.394 -4.032 349 HB3 HIS 49 2HB HIS 49 7.793 2.487 -2.331 350 HD1 HIS 49 1HD HIS 49 6.022 -0.230 -4.335 351 HD2 HIS 49 2HD HIS 49 9.277 0.297 -1.806 352 HE1 HIS 49 1HE HIS 49 7.026 -2.518 -4.045 353 HE2 HIS 49 2HE HIS 49 8.942 -2.187 -2.444 354 H ILE 50 H ILE 50 4.727 3.531 -4.636 355 HA ILE 50 HA ILE 50 2.585 1.914 -5.385 356 HB ILE 50 HB ILE 50 4.216 3.848 -7.027 357 HG12 ILE 50 1HG1 ILE 50 3.041 4.950 -5.253 358 HG13 ILE 50 2HG1 ILE 50 2.143 5.250 -6.738 359 HG21 ILE 50 1HG2 ILE 50 2.365 1.898 -7.938 360 HG22 ILE 50 2HG2 ILE 50 1.619 3.486 -8.105 361 HG23 ILE 50 3HG2 ILE 50 3.179 3.161 -8.862 362 HD11 ILE 50 3HD1 ILE 50 0.576 4.777 -5.026 363 HD12 ILE 50 1HD1 ILE 50 0.627 3.374 -6.093 364 HD13 ILE 50 2HD1 ILE 50 1.455 3.328 -4.536 365 H GLU 51 H GLU 51 2.675 -0.143 -5.992 366 HA GLU 51 HA GLU 51 4.709 -1.728 -6.675 367 HB2 GLU 51 1HB GLU 51 2.183 -2.253 -6.598 368 HB3 GLU 51 2HB GLU 51 2.197 -1.890 -8.320 369 HG2 GLU 51 1HG GLU 51 4.097 -3.883 -7.151 370 HG3 GLU 51 2HG GLU 51 2.444 -4.331 -7.565 371 H GLY 52 H GLY 52 6.121 -2.054 -8.302 372 HA2 GLY 52 1HA GLY 52 7.055 -1.917 -10.422 373 HA3 GLY 52 2HA GLY 52 5.630 -1.041 -10.961 374 H GLN 53 H GLN 53 5.754 1.011 -8.956 375 HA GLN 53 HA GLN 53 8.097 2.486 -9.956 376 HB2 GLN 53 1HB GLN 53 5.302 3.327 -9.293 377 HB3 GLN 53 2HB GLN 53 6.608 4.499 -9.177 378 HG2 GLN 53 1HG GLN 53 7.003 4.486 -11.443 379 HG3 GLN 53 2HG GLN 53 6.292 2.889 -11.665 380 HE21 GLN 53 1HE2 GLN 53 3.866 3.008 -10.682 381 HE22 GLN 53 2HE2 GLN 53 2.914 4.236 -11.438 382 HA PRO 54 HA PRO 54 9.012 1.946 -5.499 383 HB2 PRO 54 1HB PRO 54 11.704 1.952 -5.842 384 HB3 PRO 54 2HB PRO 54 10.713 0.503 -6.045 385 HG2 PRO 54 1HG PRO 54 11.800 2.362 -8.125 386 HG3 PRO 54 2HG PRO 54 11.737 0.589 -8.132 387 HD2 PRO 54 1HD PRO 54 9.955 2.115 -9.485 388 HD3 PRO 54 2HD PRO 54 9.525 0.544 -8.777 389 H GLU 55 H GLU 55 10.250 4.210 -7.889 390 HA GLU 55 HA GLU 55 11.595 6.016 -6.294 391 HB2 GLU 55 1HB GLU 55 11.066 7.705 -7.990 392 HB3 GLU 55 2HB GLU 55 11.536 6.182 -8.730 393 HG2 GLU 55 1HG GLU 55 9.024 5.704 -8.881 394 HG3 GLU 55 2HG GLU 55 8.818 7.425 -8.563 395 H ARG 56 H ARG 56 8.134 5.618 -6.757 396 HA ARG 56 HA ARG 56 7.583 7.907 -5.024 397 HB2 ARG 56 1HB ARG 56 5.135 7.028 -5.614 398 HB3 ARG 56 2HB ARG 56 6.047 8.067 -6.700 399 HG2 ARG 56 1HG ARG 56 6.770 6.121 -7.974 400 HG3 ARG 56 2HG ARG 56 5.880 5.066 -6.874 401 HD2 ARG 56 1HD ARG 56 4.827 5.839 -9.151 402 HD3 ARG 56 2HD ARG 56 3.839 5.702 -7.698 403 HE ARG 56 HE ARG 56 3.625 7.999 -7.647 404 HH11 ARG 56 1HH1 ARG 56 5.982 7.064 -10.033 405 HH12 ARG 56 2HH1 ARG 56 6.074 8.639 -10.749 406 HH21 ARG 56 1HH2 ARG 56 3.737 10.077 -8.582 407 HH22 ARG 56 2HH2 ARG 56 4.797 10.352 -9.923 408 H LYS 57 H LYS 57 7.635 7.509 -2.914 409 HA LYS 57 HA LYS 57 6.141 5.221 -1.878 410 HB2 LYS 57 1HB LYS 57 7.986 4.755 -0.246 411 HB3 LYS 57 2HB LYS 57 8.373 4.356 -1.914 412 HG2 LYS 57 1HG LYS 57 9.585 6.510 -2.097 413 HG3 LYS 57 2HG LYS 57 9.283 6.781 -0.378 414 HD2 LYS 57 1HD LYS 57 10.658 5.004 0.263 415 HD3 LYS 57 2HD LYS 57 10.614 4.270 -1.341 416 HE2 LYS 57 1HE LYS 57 11.977 6.048 -2.237 417 HE3 LYS 57 2HE LYS 57 11.927 6.908 -0.699 418 HZ1 LYS 57 3HZ LYS 57 12.877 4.255 -0.349 419 HZ2 LYS 57 1HZ LYS 57 13.628 5.720 0.043 420 HZ3 LYS 57 2HZ LYS 57 13.807 5.066 -1.505 421 H GLY 58 H GLY 58 4.760 5.918 -0.393 422 HA2 GLY 58 1HA GLY 58 5.574 7.828 1.620 423 HA3 GLY 58 2HA GLY 58 4.369 8.441 0.498 424 H VAL 59 H VAL 59 3.869 8.254 3.217 425 HA VAL 59 HA VAL 59 2.497 5.843 3.887 426 HB VAL 59 HB VAL 59 3.378 7.220 5.662 427 HG11 VAL 59 1HG1 VAL 59 1.873 9.341 4.267 428 HG12 VAL 59 2HG1 VAL 59 1.870 9.414 6.030 429 HG13 VAL 59 3HG1 VAL 59 3.398 9.420 5.148 430 HG21 VAL 59 3HG2 VAL 59 1.738 6.464 6.956 431 HG22 VAL 59 1HG2 VAL 59 0.700 7.795 6.446 432 HG23 VAL 59 2HG2 VAL 59 0.708 6.285 5.535 433 H PHE 60 H PHE 60 0.345 5.360 3.825 434 HA PHE 60 HA PHE 60 -1.503 7.363 2.747 435 HB2 PHE 60 1HB PHE 60 -2.467 5.636 1.222 436 HB3 PHE 60 2HB PHE 60 -0.823 6.107 0.802 437 HD1 PHE 60 2HD PHE 60 1.072 4.598 1.687 438 HD2 PHE 60 1HD PHE 60 -3.007 3.403 1.466 439 HE1 PHE 60 2HE PHE 60 1.764 2.239 1.749 440 HE2 PHE 60 1HE PHE 60 -2.321 1.040 1.529 441 HZ PHE 60 HZ PHE 60 0.067 0.455 1.669 442 HA PRO 61 HA PRO 61 -4.238 5.856 5.836 443 HB2 PRO 61 1HB PRO 61 -6.626 6.498 4.715 444 HB3 PRO 61 2HB PRO 61 -5.531 7.705 5.398 445 HG2 PRO 61 1HG PRO 61 -5.927 6.911 2.539 446 HG3 PRO 61 2HG PRO 61 -5.747 8.532 3.236 447 HD2 PRO 61 1HD PRO 61 -3.708 7.235 2.013 448 HD3 PRO 61 2HD PRO 61 -3.452 8.356 3.366 449 H VAL 62 H VAL 62 -4.520 3.745 6.182 450 HA VAL 62 HA VAL 62 -4.938 1.793 4.232 451 HB VAL 62 HB VAL 62 -5.635 1.677 7.169 452 HG11 VAL 62 1HG1 VAL 62 -6.658 -0.231 6.578 453 HG12 VAL 62 2HG1 VAL 62 -5.878 -0.272 4.995 454 HG13 VAL 62 3HG1 VAL 62 -5.021 -0.867 6.417 455 HG21 VAL 62 3HG2 VAL 62 -3.121 1.365 5.635 456 HG22 VAL 62 1HG2 VAL 62 -3.386 1.965 7.273 457 HG23 VAL 62 2HG2 VAL 62 -3.401 0.230 6.957 458 H SER 63 H SER 63 -7.174 3.887 5.837 459 HA SER 63 HA SER 63 -9.530 2.363 5.433 460 HB2 SER 63 1HB SER 63 -9.021 5.289 5.952 461 HB3 SER 63 2HB SER 63 -10.650 4.665 5.692 462 HG SER 63 HG SER 63 -10.579 3.639 7.567 463 H PHE 64 H PHE 64 -7.508 3.968 3.277 464 HA PHE 64 HA PHE 64 -9.643 4.421 1.322 465 HB2 PHE 64 1HB PHE 64 -6.825 5.395 1.595 466 HB3 PHE 64 2HB PHE 64 -7.579 5.372 0.004 467 HD1 PHE 64 2HD PHE 64 -8.745 6.290 3.431 468 HD2 PHE 64 1HD PHE 64 -8.266 7.457 -0.634 469 HE1 PHE 64 2HE PHE 64 -9.838 8.438 3.923 470 HE2 PHE 64 1HE PHE 64 -9.358 9.609 -0.147 471 HZ PHE 64 HZ PHE 64 -10.146 10.101 2.133 472 H VAL 65 H VAL 65 -7.206 2.195 2.150 473 HA VAL 65 HA VAL 65 -7.346 0.960 -0.523 474 HB VAL 65 HB VAL 65 -5.228 -0.075 -0.134 475 HG11 VAL 65 1HG1 VAL 65 -5.142 2.816 0.723 476 HG12 VAL 65 2HG1 VAL 65 -3.759 1.882 0.148 477 HG13 VAL 65 3HG1 VAL 65 -5.115 2.210 -0.932 478 HG21 VAL 65 3HG2 VAL 65 -4.231 0.971 2.244 479 HG22 VAL 65 1HG2 VAL 65 -5.866 0.441 2.637 480 HG23 VAL 65 2HG2 VAL 65 -4.713 -0.698 1.942 481 H HIS 66 H HIS 66 -7.315 -1.405 -0.572 482 HA HIS 66 HA HIS 66 -8.442 -2.644 1.844 483 HB2 HIS 66 1HB HIS 66 -10.253 -3.553 0.738 484 HB3 HIS 66 2HB HIS 66 -10.105 -2.007 -0.094 485 HD1 HIS 66 1HD HIS 66 -10.858 -5.266 -0.926 486 HD2 HIS 66 2HD HIS 66 -8.068 -2.579 -2.430 487 HE1 HIS 66 1HE HIS 66 -10.311 -6.087 -3.239 488 HE2 HIS 66 2HE HIS 66 -8.558 -4.494 -4.097 489 H ILE 67 H ILE 67 -7.288 -4.344 2.445 490 HA ILE 67 HA ILE 67 -5.111 -5.367 1.048 491 HB ILE 67 HB ILE 67 -6.755 -6.730 3.184 492 HG12 ILE 67 1HG1 ILE 67 -4.180 -5.155 3.400 493 HG13 ILE 67 2HG1 ILE 67 -5.772 -4.533 3.819 494 HG21 ILE 67 1HG2 ILE 67 -4.641 -7.732 1.573 495 HG22 ILE 67 2HG2 ILE 67 -4.038 -7.535 3.217 496 HG23 ILE 67 3HG2 ILE 67 -5.470 -8.518 2.916 497 HD11 ILE 67 3HD1 ILE 67 -5.365 -6.990 5.192 498 HD12 ILE 67 1HD1 ILE 67 -3.963 -5.949 5.445 499 HD13 ILE 67 2HD1 ILE 67 -5.579 -5.369 5.851 500 H LEU 68 H LEU 68 -4.975 -6.617 -0.685 501 HA LEU 68 HA LEU 68 -7.273 -7.799 -1.883 502 HB2 LEU 68 1HB LEU 68 -4.366 -8.256 -2.535 503 HB3 LEU 68 2HB LEU 68 -5.744 -8.621 -3.571 504 HG LEU 68 HG LEU 68 -5.283 -5.803 -2.694 505 HD11 LEU 68 1HD1 LEU 68 -4.070 -6.054 -5.188 506 HD12 LEU 68 2HD1 LEU 68 -3.411 -7.376 -4.224 507 HD13 LEU 68 3HD1 LEU 68 -3.279 -5.714 -3.648 508 HD21 LEU 68 3HD2 LEU 68 -6.115 -5.544 -5.135 509 HD22 LEU 68 1HD2 LEU 68 -7.262 -6.004 -3.877 510 HD23 LEU 68 2HD2 LEU 68 -6.610 -7.229 -4.965 511 H SER 69 H SER 69 -7.436 -10.092 -2.482 512 HA SER 69 HA SER 69 -7.044 -11.758 -0.169 513 HB2 SER 69 1HB SER 69 -8.440 -13.325 -1.237 514 HB3 SER 69 2HB SER 69 -9.060 -11.766 -1.780 515 HG SER 69 HG SER 69 -8.097 -12.064 -3.739 516 H ASP 70 H ASP 70 -6.036 -12.001 -3.582 517 HA ASP 70 HA ASP 70 -4.366 -14.213 -3.298 518 HB2 ASP 70 1HB ASP 70 -4.087 -11.902 -5.233 519 HB3 ASP 70 2HB ASP 70 -3.314 -13.477 -5.399 520 H SER 71 H SER 71 -2.249 -14.499 -2.767 521 HA SER 71 HA SER 71 -0.915 -12.198 -1.518 522 HB2 SER 71 1HB SER 71 -0.245 -15.123 -1.148 523 HB3 SER 71 2HB SER 71 0.307 -13.765 -0.168 524 HG SER 71 HG SER 71 -1.491 -15.028 0.705 525 H GLY 72 H GLY 72 1.657 -12.849 -1.458 526 HA2 GLY 72 1HA GLY 72 2.383 -13.082 -4.312 527 HA3 GLY 72 2HA GLY 72 3.246 -12.079 -3.155 528 HA PRO 73 HA PRO 73 6.114 -15.350 -2.585 529 HB2 PRO 73 1HB PRO 73 7.024 -14.748 -0.099 530 HB3 PRO 73 2HB PRO 73 7.452 -13.807 -1.534 531 HG2 PRO 73 1HG PRO 73 5.384 -13.240 0.555 532 HG3 PRO 73 2HG PRO 73 6.537 -12.130 -0.208 533 HD2 PRO 73 1HD PRO 73 3.941 -12.278 -0.961 534 HD3 PRO 73 2HD PRO 73 5.246 -11.889 -2.101 535 H SER 74 H SER 74 3.375 -14.942 -0.558 536 HA SER 74 HA SER 74 3.814 -17.142 1.195 537 HB2 SER 74 1HB SER 74 1.199 -15.830 0.412 538 HB3 SER 74 2HB SER 74 1.464 -16.867 1.812 539 HG SER 74 HG SER 74 1.544 -14.502 2.150 540 H SER 75 H SER 75 1.926 -18.879 1.232 541 HA SER 75 HA SER 75 2.396 -20.807 -0.577 542 HB2 SER 75 1HB SER 75 -0.252 -20.149 0.726 543 HB3 SER 75 2HB SER 75 0.053 -21.648 -0.151 544 HG SER 75 HG SER 75 0.946 -22.366 1.596 545 H GLY 76 H GLY 76 1.951 -21.294 -2.651 546 HA2 GLY 76 1HA GLY 76 -0.082 -20.853 -4.285 547 HA3 GLY 76 2HA GLY 76 0.613 -19.239 -4.239 Start of MODEL 3 1 H1 GLY 1 H GLY 1 27.958 -6.832 11.517 2 HA2 GLY 1 1HA GLY 1 26.092 -7.712 10.179 3 HA3 GLY 1 2HA GLY 1 26.075 -8.435 11.782 4 H SER 2 H SER 2 23.757 -8.510 10.527 5 HA SER 2 HA SER 2 22.157 -6.506 11.950 6 HB2 SER 2 1HB SER 2 20.791 -6.019 10.079 7 HB3 SER 2 2HB SER 2 22.442 -5.945 9.467 8 HG SER 2 HG SER 2 21.088 -7.151 8.082 9 H SER 3 H SER 3 20.325 -7.279 12.874 10 HA SER 3 HA SER 3 18.995 -9.647 12.070 11 HB2 SER 3 1HB SER 3 21.137 -10.540 13.148 12 HB3 SER 3 2HB SER 3 20.487 -9.947 14.676 13 HG SER 3 HG SER 3 18.526 -11.246 13.875 14 H GLY 4 H GLY 4 17.025 -8.807 12.383 15 HA2 GLY 4 1HA GLY 4 16.456 -7.552 14.993 16 HA3 GLY 4 2HA GLY 4 15.603 -7.179 13.503 17 H SER 5 H SER 5 13.643 -8.020 13.358 18 HA SER 5 HA SER 5 12.962 -10.311 15.051 19 HB2 SER 5 1HB SER 5 11.351 -8.146 13.729 20 HB3 SER 5 2HB SER 5 10.574 -9.637 14.262 21 HG SER 5 HG SER 5 10.703 -7.780 15.797 22 H SER 6 H SER 6 12.311 -12.240 14.259 23 HA SER 6 HA SER 6 12.743 -12.721 11.432 24 HB2 SER 6 1HB SER 6 13.701 -14.333 12.940 25 HB3 SER 6 2HB SER 6 12.153 -14.574 13.749 26 HG SER 6 HG SER 6 12.251 -15.029 11.002 27 H GLY 7 H GLY 7 11.163 -12.584 9.992 28 HA2 GLY 7 1HA GLY 7 8.998 -13.679 9.362 29 HA3 GLY 7 2HA GLY 7 8.398 -13.091 10.906 30 H ASN 8 H ASN 8 10.226 -11.637 8.209 31 HA ASN 8 HA ASN 8 8.447 -9.313 8.359 32 HB2 ASN 8 1HB ASN 8 11.111 -9.687 6.973 33 HB3 ASN 8 2HB ASN 8 10.168 -8.200 6.945 34 HD21 ASN 8 1HD2 ASN 8 12.836 -9.205 8.148 35 HD22 ASN 8 2HD2 ASN 8 12.808 -8.545 9.744 36 H LYS 9 H LYS 9 6.644 -9.958 7.237 37 HA LYS 9 HA LYS 9 7.015 -10.879 4.474 38 HB2 LYS 9 1HB LYS 9 5.569 -12.212 6.040 39 HB3 LYS 9 2HB LYS 9 4.465 -10.843 6.096 40 HG2 LYS 9 1HG LYS 9 3.920 -11.072 3.805 41 HG3 LYS 9 2HG LYS 9 5.236 -12.218 3.537 42 HD2 LYS 9 1HD LYS 9 4.139 -13.901 4.809 43 HD3 LYS 9 2HD LYS 9 2.942 -12.755 5.414 44 HE2 LYS 9 1HE LYS 9 3.249 -13.422 2.496 45 HE3 LYS 9 2HE LYS 9 2.169 -14.306 3.573 46 HZ1 LYS 9 3HZ LYS 9 1.156 -12.429 2.255 47 HZ2 LYS 9 1HZ LYS 9 2.022 -11.367 3.247 48 HZ3 LYS 9 2HZ LYS 9 0.866 -12.402 3.922 49 H VAL 10 H VAL 10 5.456 -10.022 2.854 50 HA VAL 10 HA VAL 10 5.113 -7.128 3.244 51 HB VAL 10 HB VAL 10 5.323 -6.814 0.927 52 HG11 VAL 10 1HG1 VAL 10 7.512 -7.210 0.861 53 HG12 VAL 10 2HG1 VAL 10 7.315 -8.133 2.352 54 HG13 VAL 10 3HG1 VAL 10 7.259 -8.954 0.792 55 HG21 VAL 10 3HG2 VAL 10 5.055 -9.797 0.554 56 HG22 VAL 10 1HG2 VAL 10 3.791 -8.607 0.241 57 HG23 VAL 10 2HG2 VAL 10 5.268 -8.599 -0.724 58 H ARG 11 H ARG 11 3.203 -6.096 2.538 59 HA ARG 11 HA ARG 11 0.885 -7.899 2.291 60 HB2 ARG 11 1HB ARG 11 1.333 -5.460 3.925 61 HB3 ARG 11 2HB ARG 11 -0.264 -5.661 3.216 62 HG2 ARG 11 1HG ARG 11 -0.001 -8.090 4.246 63 HG3 ARG 11 2HG ARG 11 1.082 -7.225 5.338 64 HD2 ARG 11 1HD ARG 11 -0.742 -5.606 5.783 65 HD3 ARG 11 2HD ARG 11 -1.812 -6.590 4.787 66 HE ARG 11 HE ARG 11 -1.031 -7.098 7.487 67 HH11 ARG 11 1HH1 ARG 11 -1.965 -8.615 4.495 68 HH12 ARG 11 2HH1 ARG 11 -2.575 -10.045 5.259 69 HH21 ARG 11 1HH2 ARG 11 -1.832 -8.975 8.504 70 HH22 ARG 11 2HH2 ARG 11 -2.500 -10.249 7.540 71 H ARG 12 H ARG 12 -0.509 -7.575 0.645 72 HA ARG 12 HA ARG 12 0.098 -5.359 -1.193 73 HB2 ARG 12 1HB ARG 12 -0.801 -8.171 -1.597 74 HB3 ARG 12 2HB ARG 12 -1.363 -6.960 -2.740 75 HG2 ARG 12 1HG ARG 12 1.118 -6.309 -2.944 76 HG3 ARG 12 2HG ARG 12 1.431 -7.875 -2.191 77 HD2 ARG 12 1HD ARG 12 1.493 -7.951 -4.664 78 HD3 ARG 12 2HD ARG 12 0.271 -9.014 -3.965 79 HE ARG 12 HE ARG 12 -0.752 -6.433 -4.684 80 HH11 ARG 12 1HH1 ARG 12 0.010 -9.621 -5.856 81 HH12 ARG 12 2HH1 ARG 12 -1.120 -9.551 -7.168 82 HH21 ARG 12 1HH2 ARG 12 -2.243 -6.328 -6.407 83 HH22 ARG 12 2HH2 ARG 12 -2.400 -7.677 -7.481 84 H VAL 13 H VAL 13 -1.319 -3.757 -1.278 85 HA VAL 13 HA VAL 13 -4.156 -4.341 -0.752 86 HB VAL 13 HB VAL 13 -4.376 -2.160 0.374 87 HG11 VAL 13 1HG1 VAL 13 -2.756 -4.390 1.411 88 HG12 VAL 13 2HG1 VAL 13 -2.676 -2.891 2.339 89 HG13 VAL 13 3HG1 VAL 13 -4.234 -3.666 2.047 90 HG21 VAL 13 3HG2 VAL 13 -2.524 -0.978 -0.631 91 HG22 VAL 13 1HG2 VAL 13 -2.333 -0.986 1.123 92 HG23 VAL 13 2HG2 VAL 13 -1.370 -2.077 0.126 93 H LYS 14 H LYS 14 -5.657 -2.824 -1.710 94 HA LYS 14 HA LYS 14 -4.537 -1.430 -4.054 95 HB2 LYS 14 1HB LYS 14 -5.679 -3.245 -4.989 96 HB3 LYS 14 2HB LYS 14 -6.967 -3.172 -3.793 97 HG2 LYS 14 1HG LYS 14 -7.651 -0.981 -4.826 98 HG3 LYS 14 2HG LYS 14 -6.512 -1.336 -6.128 99 HD2 LYS 14 1HD LYS 14 -8.488 -3.432 -5.391 100 HD3 LYS 14 2HD LYS 14 -9.069 -2.019 -6.277 101 HE2 LYS 14 1HE LYS 14 -6.614 -3.379 -7.256 102 HE3 LYS 14 2HE LYS 14 -8.163 -4.181 -7.514 103 HZ1 LYS 14 3HZ LYS 14 -7.047 -1.952 -8.879 104 HZ2 LYS 14 1HZ LYS 14 -8.564 -1.560 -8.240 105 HZ3 LYS 14 2HZ LYS 14 -8.401 -2.883 -9.279 106 H THR 15 H THR 15 -5.327 0.580 -4.546 107 HA THR 15 HA THR 15 -6.616 2.003 -2.406 108 HB THR 15 HB THR 15 -6.437 3.974 -3.942 109 HG1 THR 15 1HG THR 15 -6.505 2.969 -5.948 110 HG21 THR 15 3HG2 THR 15 -4.005 2.310 -3.331 111 HG22 THR 15 1HG2 THR 15 -4.643 3.686 -2.432 112 HG23 THR 15 2HG2 THR 15 -3.891 3.935 -4.008 113 H ILE 16 H ILE 16 -8.717 1.316 -2.198 114 HA ILE 16 HA ILE 16 -10.493 0.950 -4.380 115 HB ILE 16 HB ILE 16 -12.271 1.144 -2.520 116 HG12 ILE 16 1HG1 ILE 16 -9.867 0.803 -0.733 117 HG13 ILE 16 2HG1 ILE 16 -10.599 2.380 -1.016 118 HG21 ILE 16 1HG2 ILE 16 -10.643 -1.059 -1.629 119 HG22 ILE 16 2HG2 ILE 16 -12.150 -1.075 -2.543 120 HG23 ILE 16 3HG2 ILE 16 -10.609 -0.922 -3.386 121 HD11 ILE 16 3HD1 ILE 16 -12.361 1.937 0.299 122 HD12 ILE 16 1HD1 ILE 16 -12.458 0.251 -0.212 123 HD13 ILE 16 2HD1 ILE 16 -11.275 0.739 1.002 124 H TYR 17 H TYR 17 -9.239 3.730 -2.999 125 HA TYR 17 HA TYR 17 -11.316 5.351 -4.283 126 HB2 TYR 17 1HB TYR 17 -10.225 5.799 -1.499 127 HB3 TYR 17 2HB TYR 17 -11.193 6.974 -2.384 128 HD1 TYR 17 1HD TYR 17 -13.320 5.447 -3.564 129 HD2 TYR 17 2HD TYR 17 -11.485 4.957 0.244 130 HE1 TYR 17 1HE TYR 17 -15.376 4.398 -2.714 131 HE2 TYR 17 2HE TYR 17 -13.535 3.905 1.103 132 HH TYR 17 HH TYR 17 -16.484 4.051 -0.495 133 H ASP 18 H ASP 18 -10.614 7.432 -4.966 134 HA ASP 18 HA ASP 18 -7.835 7.476 -5.739 135 HB2 ASP 18 1HB ASP 18 -8.466 9.534 -6.974 136 HB3 ASP 18 2HB ASP 18 -9.503 8.163 -7.361 137 H CYS 19 H CYS 19 -6.236 8.675 -4.893 138 HA CYS 19 HA CYS 19 -6.907 10.812 -3.003 139 HB2 CYS 19 1HB CYS 19 -6.355 8.511 -1.903 140 HB3 CYS 19 2HB CYS 19 -4.695 8.896 -2.340 141 HG CYS 19 HG CYS 19 -4.678 9.670 0.209 142 H GLN 20 H GLN 20 -6.063 12.551 -3.953 143 HA GLN 20 HA GLN 20 -3.500 12.329 -5.350 144 HB2 GLN 20 1HB GLN 20 -5.557 14.544 -5.294 145 HB3 GLN 20 2HB GLN 20 -4.044 14.615 -6.187 146 HG2 GLN 20 1HG GLN 20 -4.855 12.456 -7.320 147 HG3 GLN 20 2HG GLN 20 -6.438 12.894 -6.680 148 HE21 GLN 20 1HE2 GLN 20 -4.116 13.442 -9.103 149 HE22 GLN 20 2HE2 GLN 20 -4.943 14.707 -9.940 150 H ALA 21 H ALA 21 -2.434 12.079 -3.219 151 HA ALA 21 HA ALA 21 -2.340 13.794 -1.129 152 HB1 ALA 21 3HB ALA 21 0.150 13.282 -1.022 153 HB2 ALA 21 1HB ALA 21 -0.950 11.903 -1.038 154 HB3 ALA 21 2HB ALA 21 -0.089 12.360 -2.507 155 H ASP 22 H ASP 22 -1.744 15.838 -0.719 156 HA ASP 22 HA ASP 22 -0.894 17.485 -2.965 157 HB2 ASP 22 1HB ASP 22 -2.782 18.140 -1.412 158 HB3 ASP 22 2HB ASP 22 -1.564 18.396 -0.165 159 H ASN 23 H ASN 23 0.217 16.567 0.265 160 HA ASN 23 HA ASN 23 2.641 18.115 0.026 161 HB2 ASN 23 1HB ASN 23 1.813 16.077 2.105 162 HB3 ASN 23 2HB ASN 23 3.211 17.141 2.216 163 HD21 ASN 23 1HD2 ASN 23 2.382 19.535 1.531 164 HD22 ASN 23 2HD2 ASN 23 1.089 20.086 2.535 165 H ASP 24 H ASP 24 4.780 17.050 0.386 166 HA ASP 24 HA ASP 24 5.184 15.035 -1.598 167 HB2 ASP 24 1HB ASP 24 6.894 16.685 -1.344 168 HB3 ASP 24 2HB ASP 24 7.040 16.359 0.382 169 H ASP 25 H ASP 25 5.253 15.105 1.933 170 HA ASP 25 HA ASP 25 6.262 12.558 2.415 171 HB2 ASP 25 1HB ASP 25 4.428 14.375 3.940 172 HB3 ASP 25 2HB ASP 25 4.737 12.745 4.533 173 H GLU 26 H GLU 26 2.923 13.596 1.843 174 HA GLU 26 HA GLU 26 1.798 11.003 2.190 175 HB2 GLU 26 1HB GLU 26 0.834 13.641 1.209 176 HB3 GLU 26 2HB GLU 26 -0.091 12.218 0.752 177 HG2 GLU 26 1HG GLU 26 0.648 12.546 3.606 178 HG3 GLU 26 2HG GLU 26 -0.619 13.578 2.945 179 H LEU 27 H LEU 27 1.196 9.482 0.686 180 HA LEU 27 HA LEU 27 2.650 9.566 -1.824 181 HB2 LEU 27 1HB LEU 27 2.702 7.547 -0.445 182 HB3 LEU 27 2HB LEU 27 0.954 7.395 -0.600 183 HG LEU 27 HG LEU 27 1.276 7.088 -3.060 184 HD11 LEU 27 1HD1 LEU 27 3.713 8.125 -2.741 185 HD12 LEU 27 2HD1 LEU 27 3.309 7.024 -4.057 186 HD13 LEU 27 3HD1 LEU 27 4.122 6.413 -2.616 187 HD21 LEU 27 3HD2 LEU 27 1.512 4.834 -2.829 188 HD22 LEU 27 1HD2 LEU 27 1.252 5.264 -1.139 189 HD23 LEU 27 2HD2 LEU 27 2.887 4.974 -1.734 190 H THR 28 H THR 28 1.786 10.023 -3.742 191 HA THR 28 HA THR 28 -1.078 10.545 -3.896 192 HB THR 28 HB THR 28 0.982 11.041 -6.047 193 HG1 THR 28 1HG THR 28 1.712 12.463 -4.642 194 HG21 THR 28 3HG2 THR 28 -0.609 12.324 -7.110 195 HG22 THR 28 1HG2 THR 28 -1.503 12.642 -5.625 196 HG23 THR 28 2HG2 THR 28 -1.622 11.065 -6.405 197 H PHE 29 H PHE 29 -2.424 9.041 -4.615 198 HA PHE 29 HA PHE 29 -1.590 7.306 -6.817 199 HB2 PHE 29 1HB PHE 29 -2.608 5.335 -5.662 200 HB3 PHE 29 2HB PHE 29 -1.155 5.943 -4.877 201 HD1 PHE 29 2HD PHE 29 -4.862 6.111 -4.724 202 HD2 PHE 29 1HD PHE 29 -1.179 6.475 -2.620 203 HE1 PHE 29 2HE PHE 29 -6.096 6.306 -2.604 204 HE2 PHE 29 1HE PHE 29 -2.408 6.670 -0.497 205 HZ PHE 29 HZ PHE 29 -4.869 6.587 -0.487 206 H ILE 30 H ILE 30 -3.614 5.891 -7.453 207 HA ILE 30 HA ILE 30 -6.055 7.509 -7.249 208 HB ILE 30 HB ILE 30 -6.513 7.258 -9.625 209 HG12 ILE 30 1HG1 ILE 30 -3.722 6.251 -10.075 210 HG13 ILE 30 2HG1 ILE 30 -5.018 5.117 -9.713 211 HG21 ILE 30 1HG2 ILE 30 -3.792 8.444 -9.092 212 HG22 ILE 30 2HG2 ILE 30 -4.799 8.779 -10.500 213 HG23 ILE 30 3HG2 ILE 30 -5.343 9.259 -8.893 214 HD11 ILE 30 3HD1 ILE 30 -5.371 7.111 -11.899 215 HD12 ILE 30 1HD1 ILE 30 -4.407 5.660 -12.174 216 HD13 ILE 30 2HD1 ILE 30 -6.100 5.517 -11.700 217 H GLU 31 H GLU 31 -8.004 6.320 -7.981 218 HA GLU 31 HA GLU 31 -8.317 3.904 -6.673 219 HB2 GLU 31 1HB GLU 31 -10.182 5.365 -7.362 220 HB3 GLU 31 2HB GLU 31 -9.909 4.912 -9.038 221 HG2 GLU 31 1HG GLU 31 -10.223 2.479 -8.047 222 HG3 GLU 31 2HG GLU 31 -11.133 3.366 -6.825 223 H GLY 32 H GLY 32 -7.698 1.890 -7.092 224 HA2 GLY 32 1HA GLY 32 -7.442 -0.033 -8.431 225 HA3 GLY 32 2HA GLY 32 -7.457 0.989 -9.861 226 H GLU 33 H GLU 33 -5.451 1.292 -6.955 227 HA GLU 33 HA GLU 33 -3.091 0.736 -8.626 228 HB2 GLU 33 1HB GLU 33 -3.520 2.942 -6.621 229 HB3 GLU 33 2HB GLU 33 -1.911 2.429 -7.111 230 HG2 GLU 33 1HG GLU 33 -4.053 3.490 -8.940 231 HG3 GLU 33 2HG GLU 33 -2.653 4.386 -8.355 232 H VAL 34 H VAL 34 -1.442 -0.427 -7.700 233 HA VAL 34 HA VAL 34 -2.115 -1.764 -5.181 234 HB VAL 34 HB VAL 34 -0.052 -2.488 -7.268 235 HG11 VAL 34 1HG1 VAL 34 0.858 -3.535 -5.478 236 HG12 VAL 34 2HG1 VAL 34 -0.658 -3.544 -4.575 237 HG13 VAL 34 3HG1 VAL 34 -0.382 -4.734 -5.846 238 HG21 VAL 34 3HG2 VAL 34 -1.883 -3.188 -8.369 239 HG22 VAL 34 1HG2 VAL 34 -1.860 -4.518 -7.210 240 HG23 VAL 34 2HG2 VAL 34 -2.898 -3.120 -6.929 241 H ILE 35 H ILE 35 -0.951 -1.517 -3.368 242 HA ILE 35 HA ILE 35 1.581 -0.020 -3.546 243 HB ILE 35 HB ILE 35 -0.498 0.215 -1.367 244 HG12 ILE 35 1HG1 ILE 35 0.415 2.336 -3.312 245 HG13 ILE 35 2HG1 ILE 35 -0.996 1.324 -3.597 246 HG21 ILE 35 1HG2 ILE 35 1.687 2.162 -1.491 247 HG22 ILE 35 2HG2 ILE 35 0.976 1.338 -0.104 248 HG23 ILE 35 3HG2 ILE 35 2.191 0.521 -1.087 249 HD11 ILE 35 3HD1 ILE 35 -0.663 3.050 -1.161 250 HD12 ILE 35 1HD1 ILE 35 -1.466 3.582 -2.638 251 HD13 ILE 35 2HD1 ILE 35 -2.121 2.228 -1.716 252 H ILE 36 H ILE 36 3.287 -0.914 -2.566 253 HA ILE 36 HA ILE 36 2.904 -3.437 -1.164 254 HB ILE 36 HB ILE 36 5.453 -2.059 -2.015 255 HG12 ILE 36 1HG1 ILE 36 4.123 -2.751 -3.933 256 HG13 ILE 36 2HG1 ILE 36 5.518 -3.811 -3.765 257 HG21 ILE 36 1HG2 ILE 36 6.563 -4.151 -1.518 258 HG22 ILE 36 2HG2 ILE 36 5.737 -3.552 -0.080 259 HG23 ILE 36 3HG2 ILE 36 5.034 -4.871 -1.014 260 HD11 ILE 36 3HD1 ILE 36 4.107 -5.508 -2.733 261 HD12 ILE 36 1HD1 ILE 36 2.710 -4.443 -2.888 262 HD13 ILE 36 2HD1 ILE 36 3.515 -5.059 -4.332 263 H VAL 37 H VAL 37 2.379 -3.183 0.925 264 HA VAL 37 HA VAL 37 3.193 -1.025 2.555 265 HB VAL 37 HB VAL 37 2.289 -3.746 3.500 266 HG11 VAL 37 1HG1 VAL 37 3.070 -1.381 4.864 267 HG12 VAL 37 2HG1 VAL 37 1.333 -1.597 5.087 268 HG13 VAL 37 3HG1 VAL 37 2.449 -2.887 5.539 269 HG21 VAL 37 3HG2 VAL 37 0.756 -2.741 1.811 270 HG22 VAL 37 1HG2 VAL 37 0.029 -2.944 3.405 271 HG23 VAL 37 2HG2 VAL 37 0.567 -1.349 2.876 272 H THR 38 H THR 38 5.274 -0.654 2.992 273 HA THR 38 HA THR 38 7.098 -2.882 3.454 274 HB THR 38 HB THR 38 8.875 -1.178 3.475 275 HG1 THR 38 1HG THR 38 8.376 0.859 3.735 276 HG21 THR 38 3HG2 THR 38 6.966 -1.420 1.206 277 HG22 THR 38 1HG2 THR 38 8.654 -1.916 1.319 278 HG23 THR 38 2HG2 THR 38 8.249 -0.217 1.082 279 H GLY 39 H GLY 39 5.936 0.034 5.127 280 HA2 GLY 39 1HA GLY 39 6.559 -1.295 7.676 281 HA3 GLY 39 2HA GLY 39 7.158 0.332 7.391 282 H GLU 40 H GLU 40 4.521 -1.567 8.409 283 HA GLU 40 HA GLU 40 2.393 0.229 7.996 284 HB2 GLU 40 1HB GLU 40 2.852 -2.028 9.927 285 HB3 GLU 40 2HB GLU 40 1.400 -1.042 10.022 286 HG2 GLU 40 1HG GLU 40 0.539 -1.864 8.082 287 HG3 GLU 40 2HG GLU 40 2.125 -2.200 7.390 288 H GLU 41 H GLU 41 2.701 2.307 8.606 289 HA GLU 41 HA GLU 41 4.084 3.186 10.873 290 HB2 GLU 41 1HB GLU 41 3.151 4.456 8.748 291 HB3 GLU 41 2HB GLU 41 1.797 4.786 9.818 292 HG2 GLU 41 1HG GLU 41 4.597 5.349 10.698 293 HG3 GLU 41 2HG GLU 41 3.729 6.484 9.666 294 H ASP 42 H ASP 42 0.613 2.649 10.369 295 HA ASP 42 HA ASP 42 0.255 2.074 13.170 296 HB2 ASP 42 1HB ASP 42 -1.028 4.512 11.926 297 HB3 ASP 42 2HB ASP 42 -1.562 3.791 13.441 298 H GLN 43 H GLN 43 -2.312 1.901 13.528 299 HA GLN 43 HA GLN 43 -3.146 -0.135 11.684 300 HB2 GLN 43 1HB GLN 43 -4.473 1.081 14.107 301 HB3 GLN 43 2HB GLN 43 -5.185 -0.220 13.164 302 HG2 GLN 43 1HG GLN 43 -2.542 -0.347 14.599 303 HG3 GLN 43 2HG GLN 43 -4.059 -1.037 15.173 304 HE21 GLN 43 1HE2 GLN 43 -4.907 -2.854 14.147 305 HE22 GLN 43 2HE2 GLN 43 -3.947 -3.852 13.113 306 H GLU 44 H GLU 44 -3.294 3.149 11.547 307 HA GLU 44 HA GLU 44 -5.778 3.105 9.961 308 HB2 GLU 44 1HB GLU 44 -4.546 5.385 11.518 309 HB3 GLU 44 2HB GLU 44 -5.927 5.551 10.442 310 HG2 GLU 44 1HG GLU 44 -7.173 3.955 11.846 311 HG3 GLU 44 2HG GLU 44 -5.800 3.892 12.949 312 H TRP 45 H TRP 45 -2.408 3.833 10.033 313 HA TRP 45 HA TRP 45 -2.546 4.617 7.204 314 HB2 TRP 45 1HB TRP 45 -0.794 5.906 9.307 315 HB3 TRP 45 2HB TRP 45 -0.719 6.238 7.580 316 HD1 TRP 45 HD TRP 45 -3.208 6.593 10.525 317 HE1 TRP 45 1HE TRP 45 -4.734 8.608 10.039 318 HE3 TRP 45 3HE TRP 45 -1.514 7.782 5.851 319 HZ2 TRP 45 2HZ TRP 45 -5.163 10.457 7.949 320 HZ3 TRP 45 3HZ TRP 45 -2.536 9.688 4.676 321 HH2 TRP 45 HH TRP 45 -4.323 10.996 5.705 322 H TRP 46 H TRP 46 -1.013 3.738 5.895 323 HA TRP 46 HA TRP 46 1.045 2.065 7.178 324 HB2 TRP 46 1HB TRP 46 -0.707 1.414 4.806 325 HB3 TRP 46 2HB TRP 46 0.761 0.518 5.187 326 HD1 TRP 46 HD TRP 46 -0.081 0.881 8.480 327 HE1 TRP 46 1HE TRP 46 -1.724 -0.882 9.383 328 HE3 TRP 46 3HE TRP 46 -1.984 -0.802 4.044 329 HZ2 TRP 46 2HZ TRP 46 -3.581 -2.741 8.352 330 HZ3 TRP 46 3HZ TRP 46 -3.690 -2.574 4.089 331 HH2 TRP 46 HH TRP 46 -4.471 -3.523 6.200 332 H ILE 47 H ILE 47 2.924 1.612 5.797 333 HA ILE 47 HA ILE 47 3.449 3.836 3.933 334 HB ILE 47 HB ILE 47 5.481 2.404 5.649 335 HG12 ILE 47 1HG1 ILE 47 4.626 5.264 5.995 336 HG13 ILE 47 2HG1 ILE 47 3.732 3.964 6.776 337 HG21 ILE 47 1HG2 ILE 47 5.871 4.982 4.167 338 HG22 ILE 47 2HG2 ILE 47 7.086 3.884 4.819 339 HG23 ILE 47 3HG2 ILE 47 6.154 3.422 3.395 340 HD11 ILE 47 3HD1 ILE 47 5.210 4.618 8.413 341 HD12 ILE 47 1HD1 ILE 47 6.047 3.251 7.679 342 HD13 ILE 47 2HD1 ILE 47 6.520 4.899 7.267 343 H GLY 48 H GLY 48 4.394 3.394 1.986 344 HA2 GLY 48 1HA GLY 48 5.742 1.015 1.318 345 HA3 GLY 48 2HA GLY 48 4.053 0.846 0.862 346 H HIS 49 H HIS 49 5.231 0.609 -1.278 347 HA HIS 49 HA HIS 49 5.294 3.248 -2.566 348 HB2 HIS 49 1HB HIS 49 7.195 2.470 -3.983 349 HB3 HIS 49 2HB HIS 49 7.616 2.649 -2.282 350 HD1 HIS 49 1HD HIS 49 6.030 -0.313 -4.066 351 HD2 HIS 49 2HD HIS 49 9.406 0.665 -1.850 352 HE1 HIS 49 1HE HIS 49 7.276 -2.475 -3.749 353 HE2 HIS 49 2HE HIS 49 9.270 -1.873 -2.334 354 H ILE 50 H ILE 50 4.748 3.245 -4.801 355 HA ILE 50 HA ILE 50 2.684 1.438 -5.477 356 HB ILE 50 HB ILE 50 4.180 3.388 -7.235 357 HG12 ILE 50 1HG1 ILE 50 2.892 4.271 -5.220 358 HG13 ILE 50 2HG1 ILE 50 2.442 4.937 -6.785 359 HG21 ILE 50 1HG2 ILE 50 3.115 2.458 -8.947 360 HG22 ILE 50 2HG2 ILE 50 2.236 1.370 -7.875 361 HG23 ILE 50 3HG2 ILE 50 1.595 2.977 -8.218 362 HD11 ILE 50 3HD1 ILE 50 0.372 4.095 -6.684 363 HD12 ILE 50 1HD1 ILE 50 0.909 2.580 -5.959 364 HD13 ILE 50 2HD1 ILE 50 0.693 4.012 -4.952 365 H GLU 51 H GLU 51 2.797 -0.529 -6.319 366 HA GLU 51 HA GLU 51 4.969 -2.056 -6.748 367 HB2 GLU 51 1HB GLU 51 2.575 -2.793 -6.910 368 HB3 GLU 51 2HB GLU 51 2.548 -2.165 -8.552 369 HG2 GLU 51 1HG GLU 51 4.271 -3.733 -9.212 370 HG3 GLU 51 2HG GLU 51 4.385 -4.333 -7.558 371 H GLY 52 H GLY 52 6.486 -2.436 -8.299 372 HA2 GLY 52 1HA GLY 52 7.649 -2.201 -10.288 373 HA3 GLY 52 2HA GLY 52 6.292 -1.291 -10.933 374 H GLN 53 H GLN 53 6.148 0.757 -9.038 375 HA GLN 53 HA GLN 53 8.635 2.203 -9.648 376 HB2 GLN 53 1HB GLN 53 5.779 3.010 -9.459 377 HB3 GLN 53 2HB GLN 53 6.987 4.188 -8.964 378 HG2 GLN 53 1HG GLN 53 8.057 4.024 -11.144 379 HG3 GLN 53 2HG GLN 53 6.870 2.821 -11.643 380 HE21 GLN 53 1HE2 GLN 53 4.567 3.550 -11.483 381 HE22 GLN 53 2HE2 GLN 53 4.218 5.171 -11.966 382 HA PRO 54 HA PRO 54 8.918 1.591 -5.110 383 HB2 PRO 54 1HB PRO 54 11.631 1.502 -5.084 384 HB3 PRO 54 2HB PRO 54 10.627 0.089 -5.431 385 HG2 PRO 54 1HG PRO 54 12.050 1.914 -7.330 386 HG3 PRO 54 2HG PRO 54 11.928 0.145 -7.358 387 HD2 PRO 54 1HD PRO 54 10.400 1.736 -8.929 388 HD3 PRO 54 2HD PRO 54 9.823 0.180 -8.297 389 H GLU 55 H GLU 55 10.640 3.786 -7.271 390 HA GLU 55 HA GLU 55 11.802 5.544 -5.525 391 HB2 GLU 55 1HB GLU 55 11.403 7.302 -7.254 392 HB3 GLU 55 2HB GLU 55 12.094 5.816 -7.892 393 HG2 GLU 55 1HG GLU 55 9.936 5.128 -8.730 394 HG3 GLU 55 2HG GLU 55 9.177 6.549 -8.014 395 H ARG 56 H ARG 56 8.405 5.205 -6.294 396 HA ARG 56 HA ARG 56 7.706 7.567 -4.739 397 HB2 ARG 56 1HB ARG 56 6.017 5.607 -6.301 398 HB3 ARG 56 2HB ARG 56 5.368 6.984 -5.419 399 HG2 ARG 56 1HG ARG 56 6.705 8.491 -6.834 400 HG3 ARG 56 2HG ARG 56 7.274 7.092 -7.747 401 HD2 ARG 56 1HD ARG 56 5.507 7.906 -9.029 402 HD3 ARG 56 2HD ARG 56 4.786 6.578 -8.120 403 HE ARG 56 HE ARG 56 3.438 8.089 -7.055 404 HH11 ARG 56 1HH1 ARG 56 6.062 9.788 -8.589 405 HH12 ARG 56 2HH1 ARG 56 5.408 11.359 -8.263 406 HH21 ARG 56 1HH2 ARG 56 2.567 10.152 -6.620 407 HH22 ARG 56 2HH2 ARG 56 3.420 11.565 -7.142 408 H LYS 57 H LYS 57 7.738 7.310 -2.601 409 HA LYS 57 HA LYS 57 6.195 5.114 -1.445 410 HB2 LYS 57 1HB LYS 57 7.964 4.688 0.238 411 HB3 LYS 57 2HB LYS 57 8.462 4.275 -1.397 412 HG2 LYS 57 1HG LYS 57 9.540 6.587 -1.467 413 HG3 LYS 57 2HG LYS 57 9.313 6.606 0.283 414 HD2 LYS 57 1HD LYS 57 10.762 4.800 0.608 415 HD3 LYS 57 2HD LYS 57 10.663 4.300 -1.083 416 HE2 LYS 57 1HE LYS 57 12.819 5.343 -0.575 417 HE3 LYS 57 2HE LYS 57 11.906 6.282 -1.756 418 HZ1 LYS 57 3HZ LYS 57 12.210 8.017 -0.431 419 HZ2 LYS 57 1HZ LYS 57 12.855 7.060 0.807 420 HZ3 LYS 57 2HZ LYS 57 11.182 7.288 0.698 421 H GLY 58 H GLY 58 4.734 5.999 -0.148 422 HA2 GLY 58 1HA GLY 58 5.524 8.012 1.785 423 HA3 GLY 58 2HA GLY 58 4.372 8.560 0.576 424 H VAL 59 H VAL 59 3.870 8.492 3.356 425 HA VAL 59 HA VAL 59 2.445 6.204 4.177 426 HB VAL 59 HB VAL 59 3.250 7.970 5.725 427 HG11 VAL 59 1HG1 VAL 59 1.875 9.998 6.014 428 HG12 VAL 59 2HG1 VAL 59 2.667 9.936 4.437 429 HG13 VAL 59 3HG1 VAL 59 0.951 9.552 4.579 430 HG21 VAL 59 3HG2 VAL 59 1.769 7.241 7.228 431 HG22 VAL 59 1HG2 VAL 59 0.425 8.024 6.397 432 HG23 VAL 59 2HG2 VAL 59 0.963 6.423 5.890 433 H PHE 60 H PHE 60 0.250 5.740 4.209 434 HA PHE 60 HA PHE 60 -1.596 7.514 2.830 435 HB2 PHE 60 1HB PHE 60 -2.371 5.700 1.317 436 HB3 PHE 60 2HB PHE 60 -0.720 6.212 0.986 437 HD1 PHE 60 2HD PHE 60 1.176 4.793 1.849 438 HD2 PHE 60 1HD PHE 60 -2.870 3.473 1.827 439 HE1 PHE 60 2HE PHE 60 1.939 2.464 2.055 440 HE2 PHE 60 1HE PHE 60 -2.114 1.142 2.034 441 HZ PHE 60 HZ PHE 60 0.293 0.634 2.147 442 HA PRO 61 HA PRO 61 -4.356 5.968 5.886 443 HB2 PRO 61 1HB PRO 61 -6.721 6.560 4.694 444 HB3 PRO 61 2HB PRO 61 -5.671 7.789 5.409 445 HG2 PRO 61 1HG PRO 61 -5.969 6.988 2.540 446 HG3 PRO 61 2HG PRO 61 -5.841 8.612 3.240 447 HD2 PRO 61 1HD PRO 61 -3.741 7.357 2.080 448 HD3 PRO 61 2HD PRO 61 -3.548 8.483 3.438 449 H VAL 62 H VAL 62 -5.106 3.996 6.363 450 HA VAL 62 HA VAL 62 -5.209 1.937 4.416 451 HB VAL 62 HB VAL 62 -6.287 1.898 7.239 452 HG11 VAL 62 1HG1 VAL 62 -6.953 0.094 5.481 453 HG12 VAL 62 2HG1 VAL 62 -5.311 -0.497 5.742 454 HG13 VAL 62 3HG1 VAL 62 -6.440 -0.399 7.095 455 HG21 VAL 62 3HG2 VAL 62 -3.691 2.322 6.499 456 HG22 VAL 62 1HG2 VAL 62 -4.209 1.608 8.026 457 HG23 VAL 62 2HG2 VAL 62 -3.741 0.569 6.682 458 H SER 63 H SER 63 -7.631 3.973 5.920 459 HA SER 63 HA SER 63 -9.922 2.513 5.214 460 HB2 SER 63 1HB SER 63 -10.091 4.299 6.824 461 HB3 SER 63 2HB SER 63 -9.525 5.481 5.644 462 HG SER 63 HG SER 63 -11.769 5.583 5.801 463 H PHE 64 H PHE 64 -7.671 4.019 3.250 464 HA PHE 64 HA PHE 64 -9.594 4.527 1.096 465 HB2 PHE 64 1HB PHE 64 -6.782 5.403 1.631 466 HB3 PHE 64 2HB PHE 64 -7.372 5.378 -0.027 467 HD1 PHE 64 2HD PHE 64 -8.733 6.444 3.284 468 HD2 PHE 64 1HD PHE 64 -8.025 7.427 -0.796 469 HE1 PHE 64 2HE PHE 64 -9.790 8.639 3.633 470 HE2 PHE 64 1HE PHE 64 -9.080 9.623 -0.454 471 HZ PHE 64 HZ PHE 64 -9.965 10.231 1.762 472 H VAL 65 H VAL 65 -7.252 2.266 2.153 473 HA VAL 65 HA VAL 65 -7.314 0.935 -0.478 474 HB VAL 65 HB VAL 65 -5.172 0.008 -0.093 475 HG11 VAL 65 1HG1 VAL 65 -3.762 2.042 0.395 476 HG12 VAL 65 2HG1 VAL 65 -4.973 2.239 -0.873 477 HG13 VAL 65 3HG1 VAL 65 -5.263 2.900 0.737 478 HG21 VAL 65 3HG2 VAL 65 -5.764 0.645 2.720 479 HG22 VAL 65 1HG2 VAL 65 -4.870 -0.706 2.023 480 HG23 VAL 65 2HG2 VAL 65 -4.083 0.859 2.230 481 H HIS 66 H HIS 66 -7.124 -1.456 -0.369 482 HA HIS 66 HA HIS 66 -8.186 -2.627 2.095 483 HB2 HIS 66 1HB HIS 66 -10.080 -3.537 1.142 484 HB3 HIS 66 2HB HIS 66 -9.985 -2.009 0.272 485 HD1 HIS 66 1HD HIS 66 -10.705 -5.353 -0.395 486 HD2 HIS 66 2HD HIS 66 -8.239 -2.564 -2.241 487 HE1 HIS 66 1HE HIS 66 -10.364 -6.202 -2.738 488 HE2 HIS 66 2HE HIS 66 -8.799 -4.544 -3.808 489 H ILE 67 H ILE 67 -6.985 -4.316 2.633 490 HA ILE 67 HA ILE 67 -4.920 -5.366 1.106 491 HB ILE 67 HB ILE 67 -6.436 -6.635 3.386 492 HG12 ILE 67 1HG1 ILE 67 -3.698 -5.360 3.370 493 HG13 ILE 67 2HG1 ILE 67 -5.167 -4.478 3.774 494 HG21 ILE 67 1HG2 ILE 67 -3.832 -7.683 3.225 495 HG22 ILE 67 2HG2 ILE 67 -5.358 -8.529 2.977 496 HG23 ILE 67 3HG2 ILE 67 -4.523 -7.799 1.607 497 HD11 ILE 67 3HD1 ILE 67 -3.668 -5.516 5.639 498 HD12 ILE 67 1HD1 ILE 67 -5.426 -5.561 5.771 499 HD13 ILE 67 2HD1 ILE 67 -4.546 -6.992 5.236 500 H LEU 68 H LEU 68 -4.859 -6.689 -0.582 501 HA LEU 68 HA LEU 68 -7.268 -7.898 -1.580 502 HB2 LEU 68 1HB LEU 68 -4.449 -8.227 -2.587 503 HB3 LEU 68 2HB LEU 68 -5.936 -8.579 -3.465 504 HG LEU 68 HG LEU 68 -5.461 -5.790 -2.533 505 HD11 LEU 68 1HD1 LEU 68 -4.344 -5.483 -4.849 506 HD12 LEU 68 2HD1 LEU 68 -3.949 -7.195 -4.696 507 HD13 LEU 68 3HD1 LEU 68 -3.371 -6.046 -3.489 508 HD21 LEU 68 3HD2 LEU 68 -6.702 -5.254 -4.536 509 HD22 LEU 68 1HD2 LEU 68 -7.574 -6.474 -3.609 510 HD23 LEU 68 2HD2 LEU 68 -6.666 -6.942 -5.047 511 H SER 69 H SER 69 -7.348 -10.195 -2.232 512 HA SER 69 HA SER 69 -7.208 -11.943 -0.150 513 HB2 SER 69 1HB SER 69 -7.272 -13.769 -1.814 514 HB3 SER 69 2HB SER 69 -8.378 -12.461 -2.237 515 HG SER 69 HG SER 69 -6.278 -11.749 -3.448 516 H ASP 70 H ASP 70 -5.783 -13.560 0.544 517 HA ASP 70 HA ASP 70 -2.973 -12.927 0.068 518 HB2 ASP 70 1HB ASP 70 -2.661 -14.591 2.003 519 HB3 ASP 70 2HB ASP 70 -3.425 -13.047 2.371 520 H SER 71 H SER 71 -1.413 -14.695 -0.181 521 HA SER 71 HA SER 71 -1.833 -16.251 -2.390 522 HB2 SER 71 1HB SER 71 0.080 -16.446 -0.100 523 HB3 SER 71 2HB SER 71 0.021 -17.767 -1.267 524 HG SER 71 HG SER 71 1.347 -16.502 -2.320 525 H GLY 72 H GLY 72 -1.637 -18.757 -2.389 526 HA2 GLY 72 1HA GLY 72 -3.765 -19.780 -0.615 527 HA3 GLY 72 2HA GLY 72 -3.490 -20.344 -2.256 528 HA PRO 73 HA PRO 73 -0.009 -22.132 0.641 529 HB2 PRO 73 1HB PRO 73 -0.711 -22.276 3.260 530 HB3 PRO 73 2HB PRO 73 0.149 -20.893 2.570 531 HG2 PRO 73 1HG PRO 73 -2.768 -21.205 3.165 532 HG3 PRO 73 2HG PRO 73 -1.709 -19.814 3.458 533 HD2 PRO 73 1HD PRO 73 -3.399 -19.939 1.346 534 HD3 PRO 73 2HD PRO 73 -1.839 -19.094 1.272 535 H SER 74 H SER 74 -3.386 -22.589 1.648 536 HA SER 74 HA SER 74 -3.161 -25.309 2.337 537 HB2 SER 74 1HB SER 74 -5.073 -23.674 2.863 538 HB3 SER 74 2HB SER 74 -5.678 -24.054 1.251 539 HG SER 74 HG SER 74 -5.057 -26.077 3.124 540 H SER 75 H SER 75 -2.524 -26.870 1.012 541 HA SER 75 HA SER 75 -2.152 -26.955 -1.624 542 HB2 SER 75 1HB SER 75 -1.632 -28.876 -0.252 543 HB3 SER 75 2HB SER 75 -3.344 -29.184 0.042 544 HG SER 75 HG SER 75 -3.530 -29.518 -2.262 545 H GLY 76 H GLY 76 -5.267 -27.934 -0.178 546 HA2 GLY 76 1HA GLY 76 -7.100 -26.631 -1.561 547 HA3 GLY 76 2HA GLY 76 -6.528 -27.729 -2.807 Start of MODEL 4 1 H1 GLY 1 H GLY 1 21.358 -18.767 -9.080 2 HA2 GLY 1 1HA GLY 1 22.826 -19.841 -7.514 3 HA3 GLY 1 2HA GLY 1 24.145 -18.858 -8.133 4 H SER 2 H SER 2 20.885 -18.030 -6.964 5 HA SER 2 HA SER 2 21.948 -15.801 -5.478 6 HB2 SER 2 1HB SER 2 19.702 -15.175 -5.087 7 HB3 SER 2 2HB SER 2 19.695 -15.879 -6.704 8 HG SER 2 HG SER 2 18.262 -16.612 -4.608 9 H SER 3 H SER 3 21.834 -15.503 -3.231 10 HA SER 3 HA SER 3 21.929 -18.011 -1.716 11 HB2 SER 3 1HB SER 3 23.881 -16.408 -1.664 12 HB3 SER 3 2HB SER 3 22.839 -15.275 -0.804 13 HG SER 3 HG SER 3 23.341 -16.329 0.930 14 H GLY 4 H GLY 4 20.664 -14.692 -1.389 15 HA2 GLY 4 1HA GLY 4 18.570 -15.793 0.383 16 HA3 GLY 4 2HA GLY 4 19.261 -14.190 0.586 17 H SER 5 H SER 5 16.826 -16.041 -0.897 18 HA SER 5 HA SER 5 16.018 -13.736 -2.546 19 HB2 SER 5 1HB SER 5 14.763 -15.340 -3.938 20 HB3 SER 5 2HB SER 5 16.481 -15.737 -3.886 21 HG SER 5 HG SER 5 14.456 -16.946 -2.303 22 H SER 6 H SER 6 15.448 -13.742 0.171 23 HA SER 6 HA SER 6 12.527 -13.849 0.092 24 HB2 SER 6 1HB SER 6 13.455 -15.961 1.170 25 HB3 SER 6 2HB SER 6 14.050 -14.926 2.468 26 HG SER 6 HG SER 6 12.015 -15.734 3.003 27 H GLY 7 H GLY 7 11.676 -12.859 2.276 28 HA2 GLY 7 1HA GLY 7 13.343 -10.920 3.551 29 HA3 GLY 7 2HA GLY 7 12.311 -10.181 2.335 30 H ASN 8 H ASN 8 11.852 -9.188 4.673 31 HA ASN 8 HA ASN 8 10.284 -10.494 6.534 32 HB2 ASN 8 1HB ASN 8 9.948 -7.615 5.669 33 HB3 ASN 8 2HB ASN 8 9.491 -8.307 7.222 34 HD21 ASN 8 1HD2 ASN 8 10.966 -8.440 8.804 35 HD22 ASN 8 2HD2 ASN 8 12.618 -7.961 8.648 36 H LYS 9 H LYS 9 7.891 -9.893 6.944 37 HA LYS 9 HA LYS 9 6.384 -10.935 4.725 38 HB2 LYS 9 1HB LYS 9 5.795 -10.248 7.573 39 HB3 LYS 9 2HB LYS 9 4.453 -10.426 6.451 40 HG2 LYS 9 1HG LYS 9 6.558 -12.523 6.937 41 HG3 LYS 9 2HG LYS 9 4.975 -12.484 7.719 42 HD2 LYS 9 1HD LYS 9 3.927 -12.562 5.465 43 HD3 LYS 9 2HD LYS 9 5.536 -12.756 4.767 44 HE2 LYS 9 1HE LYS 9 4.808 -14.943 4.922 45 HE3 LYS 9 2HE LYS 9 5.726 -14.753 6.416 46 HZ1 LYS 9 3HZ LYS 9 3.910 -15.074 7.635 47 HZ2 LYS 9 1HZ LYS 9 3.156 -15.621 6.222 48 HZ3 LYS 9 2HZ LYS 9 2.976 -14.011 6.708 49 H VAL 10 H VAL 10 5.900 -9.616 3.090 50 HA VAL 10 HA VAL 10 5.275 -6.810 3.616 51 HB VAL 10 HB VAL 10 5.593 -6.384 1.327 52 HG11 VAL 10 1HG1 VAL 10 7.797 -6.688 1.372 53 HG12 VAL 10 2HG1 VAL 10 7.557 -7.691 2.805 54 HG13 VAL 10 3HG1 VAL 10 7.621 -8.435 1.206 55 HG21 VAL 10 3HG2 VAL 10 5.696 -8.092 -0.398 56 HG22 VAL 10 1HG2 VAL 10 5.474 -9.354 0.814 57 HG23 VAL 10 2HG2 VAL 10 4.174 -8.207 0.485 58 H ARG 11 H ARG 11 3.365 -5.818 2.860 59 HA ARG 11 HA ARG 11 1.130 -7.692 2.435 60 HB2 ARG 11 1HB ARG 11 1.408 -5.264 4.125 61 HB3 ARG 11 2HB ARG 11 -0.141 -5.505 3.327 62 HG2 ARG 11 1HG ARG 11 0.147 -7.941 4.337 63 HG3 ARG 11 2HG ARG 11 1.142 -7.059 5.497 64 HD2 ARG 11 1HD ARG 11 -0.769 -5.495 5.839 65 HD3 ARG 11 2HD ARG 11 -1.746 -6.539 4.807 66 HE ARG 11 HE ARG 11 -1.103 -6.968 7.544 67 HH11 ARG 11 1HH1 ARG 11 -1.674 -8.615 4.530 68 HH12 ARG 11 2HH1 ARG 11 -2.213 -10.080 5.282 69 HH21 ARG 11 1HH2 ARG 11 -1.810 -8.892 8.546 70 HH22 ARG 11 2HH2 ARG 11 -2.290 -10.236 7.566 71 H ARG 12 H ARG 12 -0.165 -7.403 0.708 72 HA ARG 12 HA ARG 12 0.417 -5.098 -1.028 73 HB2 ARG 12 1HB ARG 12 0.783 -7.627 -1.731 74 HB3 ARG 12 2HB ARG 12 -0.941 -7.544 -2.066 75 HG2 ARG 12 1HG ARG 12 -0.573 -5.690 -3.595 76 HG3 ARG 12 2HG ARG 12 1.154 -5.722 -3.233 77 HD2 ARG 12 1HD ARG 12 -0.220 -8.183 -4.232 78 HD3 ARG 12 2HD ARG 12 0.254 -6.916 -5.362 79 HE ARG 12 HE ARG 12 2.495 -7.420 -3.865 80 HH11 ARG 12 1HH1 ARG 12 0.379 -9.287 -5.902 81 HH12 ARG 12 2HH1 ARG 12 1.616 -10.393 -6.397 82 HH21 ARG 12 1HH2 ARG 12 4.134 -8.869 -4.509 83 HH22 ARG 12 2HH2 ARG 12 3.752 -10.155 -5.604 84 H VAL 13 H VAL 13 -1.119 -3.610 -1.132 85 HA VAL 13 HA VAL 13 -3.924 -4.450 -0.775 86 HB VAL 13 HB VAL 13 -4.366 -2.209 0.200 87 HG11 VAL 13 1HG1 VAL 13 -3.015 -4.424 1.410 88 HG12 VAL 13 2HG1 VAL 13 -2.521 -2.926 2.201 89 HG13 VAL 13 3HG1 VAL 13 -4.230 -3.349 2.100 90 HG21 VAL 13 3HG2 VAL 13 -1.509 -1.884 -0.417 91 HG22 VAL 13 1HG2 VAL 13 -2.790 -0.678 -0.289 92 HG23 VAL 13 2HG2 VAL 13 -2.008 -1.292 1.168 93 H LYS 14 H LYS 14 -5.445 -2.644 -1.612 94 HA LYS 14 HA LYS 14 -4.382 -1.482 -4.094 95 HB2 LYS 14 1HB LYS 14 -5.545 -3.568 -4.663 96 HB3 LYS 14 2HB LYS 14 -6.986 -3.001 -3.830 97 HG2 LYS 14 1HG LYS 14 -6.876 -1.015 -5.475 98 HG3 LYS 14 2HG LYS 14 -5.807 -2.062 -6.412 99 HD2 LYS 14 1HD LYS 14 -7.750 -3.809 -6.005 100 HD3 LYS 14 2HD LYS 14 -8.711 -2.340 -5.821 101 HE2 LYS 14 1HE LYS 14 -8.127 -1.596 -8.010 102 HE3 LYS 14 2HE LYS 14 -6.919 -2.869 -8.184 103 HZ1 LYS 14 3HZ LYS 14 -8.926 -4.428 -7.863 104 HZ2 LYS 14 1HZ LYS 14 -8.706 -3.683 -9.366 105 HZ3 LYS 14 2HZ LYS 14 -9.856 -3.079 -8.284 106 H THR 15 H THR 15 -5.087 0.532 -4.561 107 HA THR 15 HA THR 15 -6.511 1.968 -2.528 108 HB THR 15 HB THR 15 -6.216 3.935 -3.977 109 HG1 THR 15 1HG THR 15 -6.256 3.355 -6.043 110 HG21 THR 15 3HG2 THR 15 -3.935 2.146 -3.302 111 HG22 THR 15 1HG2 THR 15 -4.342 3.743 -2.673 112 HG23 THR 15 2HG2 THR 15 -3.607 3.584 -4.269 113 H ILE 16 H ILE 16 -8.633 1.459 -2.373 114 HA ILE 16 HA ILE 16 -10.289 1.036 -4.681 115 HB ILE 16 HB ILE 16 -12.158 0.966 -3.018 116 HG12 ILE 16 1HG1 ILE 16 -10.019 1.070 -0.901 117 HG13 ILE 16 2HG1 ILE 16 -10.870 2.523 -1.414 118 HG21 ILE 16 1HG2 ILE 16 -10.054 -0.843 -1.962 119 HG22 ILE 16 2HG2 ILE 16 -11.704 -1.199 -2.471 120 HG23 ILE 16 3HG2 ILE 16 -10.445 -0.942 -3.679 121 HD11 ILE 16 3HD1 ILE 16 -11.834 0.209 0.157 122 HD12 ILE 16 1HD1 ILE 16 -12.168 1.930 0.345 123 HD13 ILE 16 2HD1 ILE 16 -12.981 1.006 -0.920 124 H TYR 17 H TYR 17 -9.164 3.769 -3.081 125 HA TYR 17 HA TYR 17 -11.205 5.417 -4.398 126 HB2 TYR 17 1HB TYR 17 -10.232 5.735 -1.555 127 HB3 TYR 17 2HB TYR 17 -11.144 6.965 -2.422 128 HD1 TYR 17 1HD TYR 17 -13.203 5.460 -3.799 129 HD2 TYR 17 2HD TYR 17 -11.609 4.889 0.104 130 HE1 TYR 17 1HE TYR 17 -15.307 4.396 -3.102 131 HE2 TYR 17 2HE TYR 17 -13.709 3.822 0.812 132 HH TYR 17 HH TYR 17 -15.826 3.373 0.248 133 H ASP 18 H ASP 18 -10.510 7.528 -4.979 134 HA ASP 18 HA ASP 18 -7.713 7.641 -5.661 135 HB2 ASP 18 1HB ASP 18 -9.800 9.783 -6.090 136 HB3 ASP 18 2HB ASP 18 -8.273 9.587 -6.949 137 H CYS 19 H CYS 19 -6.174 9.037 -4.894 138 HA CYS 19 HA CYS 19 -6.921 10.939 -2.805 139 HB2 CYS 19 1HB CYS 19 -6.284 8.706 -1.770 140 HB3 CYS 19 2HB CYS 19 -4.660 8.984 -2.386 141 HG CYS 19 HG CYS 19 -3.853 10.433 -0.431 142 H GLN 20 H GLN 20 -6.120 12.818 -3.451 143 HA GLN 20 HA GLN 20 -3.684 12.869 -5.068 144 HB2 GLN 20 1HB GLN 20 -5.581 14.078 -5.976 145 HB3 GLN 20 2HB GLN 20 -5.741 15.005 -4.491 146 HG2 GLN 20 1HG GLN 20 -4.676 16.476 -5.917 147 HG3 GLN 20 2HG GLN 20 -3.346 15.800 -4.978 148 HE21 GLN 20 1HE2 GLN 20 -1.860 16.299 -6.592 149 HE22 GLN 20 2HE2 GLN 20 -1.768 15.399 -8.064 150 H ALA 21 H ALA 21 -2.304 12.386 -3.244 151 HA ALA 21 HA ALA 21 -2.062 13.684 -0.865 152 HB1 ALA 21 3HB ALA 21 -0.310 12.328 -0.775 153 HB2 ALA 21 1HB ALA 21 -0.354 12.108 -2.524 154 HB3 ALA 21 2HB ALA 21 0.579 13.432 -1.824 155 H ASP 22 H ASP 22 -1.492 15.652 -0.150 156 HA ASP 22 HA ASP 22 -0.729 17.654 -2.162 157 HB2 ASP 22 1HB ASP 22 -2.305 17.770 0.370 158 HB3 ASP 22 2HB ASP 22 -1.413 19.206 -0.125 159 H ASN 23 H ASN 23 0.873 15.689 -0.304 160 HA ASN 23 HA ASN 23 2.983 17.626 0.244 161 HB2 ASN 23 1HB ASN 23 1.542 16.023 2.299 162 HB3 ASN 23 2HB ASN 23 3.287 16.190 2.477 163 HD21 ASN 23 1HD2 ASN 23 0.613 17.365 3.657 164 HD22 ASN 23 2HD2 ASN 23 1.027 19.027 3.888 165 H ASP 24 H ASP 24 5.074 16.568 0.702 166 HA ASP 24 HA ASP 24 5.570 14.481 -1.156 167 HB2 ASP 24 1HB ASP 24 7.867 14.663 -0.515 168 HB3 ASP 24 2HB ASP 24 7.197 16.292 -0.500 169 H ASP 25 H ASP 25 5.319 14.604 2.361 170 HA ASP 25 HA ASP 25 6.173 11.978 2.892 171 HB2 ASP 25 1HB ASP 25 4.758 12.289 5.015 172 HB3 ASP 25 2HB ASP 25 6.083 13.418 4.748 173 H GLU 26 H GLU 26 3.125 13.273 1.810 174 HA GLU 26 HA GLU 26 1.757 10.736 2.240 175 HB2 GLU 26 1HB GLU 26 0.832 13.428 1.243 176 HB3 GLU 26 2HB GLU 26 -0.201 12.006 1.229 177 HG2 GLU 26 1HG GLU 26 0.946 13.447 3.596 178 HG3 GLU 26 2HG GLU 26 -0.749 13.194 3.180 179 H LEU 27 H LEU 27 1.589 9.219 0.730 180 HA LEU 27 HA LEU 27 2.793 9.532 -1.828 181 HB2 LEU 27 1HB LEU 27 2.777 7.401 -0.636 182 HB3 LEU 27 2HB LEU 27 1.020 7.338 -0.764 183 HG LEU 27 HG LEU 27 1.277 7.223 -3.245 184 HD11 LEU 27 1HD1 LEU 27 3.691 8.190 -3.022 185 HD12 LEU 27 2HD1 LEU 27 3.315 7.024 -4.289 186 HD13 LEU 27 3HD1 LEU 27 4.139 6.495 -2.823 187 HD21 LEU 27 3HD2 LEU 27 2.287 4.852 -3.166 188 HD22 LEU 27 1HD2 LEU 27 0.818 5.176 -2.245 189 HD23 LEU 27 2HD2 LEU 27 2.378 5.114 -1.423 190 H THR 28 H THR 28 1.836 9.515 -3.875 191 HA THR 28 HA THR 28 -0.969 10.415 -3.904 192 HB THR 28 HB THR 28 1.174 10.950 -5.970 193 HG1 THR 28 1HG THR 28 0.011 12.924 -4.331 194 HG21 THR 28 3HG2 THR 28 -1.388 10.876 -6.549 195 HG22 THR 28 1HG2 THR 28 -0.367 12.173 -7.168 196 HG23 THR 28 2HG2 THR 28 -1.396 12.455 -5.763 197 H PHE 29 H PHE 29 -2.278 8.792 -4.446 198 HA PHE 29 HA PHE 29 -1.556 7.155 -6.780 199 HB2 PHE 29 1HB PHE 29 -2.731 5.234 -5.649 200 HB3 PHE 29 2HB PHE 29 -1.210 5.713 -4.902 201 HD1 PHE 29 2HD PHE 29 -4.872 5.797 -4.574 202 HD2 PHE 29 1HD PHE 29 -1.136 6.580 -2.690 203 HE1 PHE 29 2HE PHE 29 -6.019 6.053 -2.413 204 HE2 PHE 29 1HE PHE 29 -2.277 6.837 -0.525 205 HZ PHE 29 HZ PHE 29 -4.722 6.575 -0.385 206 H ILE 30 H ILE 30 -3.714 5.771 -7.303 207 HA ILE 30 HA ILE 30 -6.080 7.460 -7.091 208 HB ILE 30 HB ILE 30 -6.507 7.347 -9.528 209 HG12 ILE 30 1HG1 ILE 30 -3.625 6.737 -10.012 210 HG13 ILE 30 2HG1 ILE 30 -4.714 5.394 -9.678 211 HG21 ILE 30 1HG2 ILE 30 -5.544 9.353 -8.496 212 HG22 ILE 30 2HG2 ILE 30 -3.925 8.723 -8.800 213 HG23 ILE 30 3HG2 ILE 30 -4.981 9.132 -10.153 214 HD11 ILE 30 3HD1 ILE 30 -6.118 6.749 -11.555 215 HD12 ILE 30 1HD1 ILE 30 -4.460 7.071 -12.061 216 HD13 ILE 30 2HD1 ILE 30 -5.023 5.408 -11.890 217 H GLU 31 H GLU 31 -8.040 6.376 -7.576 218 HA GLU 31 HA GLU 31 -8.349 3.837 -6.658 219 HB2 GLU 31 1HB GLU 31 -10.170 5.490 -7.232 220 HB3 GLU 31 2HB GLU 31 -10.020 4.967 -8.905 221 HG2 GLU 31 1HG GLU 31 -10.437 2.604 -7.983 222 HG3 GLU 31 2HG GLU 31 -11.016 3.433 -6.539 223 H GLY 32 H GLY 32 -7.599 1.929 -7.284 224 HA2 GLY 32 1HA GLY 32 -7.517 0.147 -8.875 225 HA3 GLY 32 2HA GLY 32 -7.448 1.343 -10.161 226 H GLU 33 H GLU 33 -5.506 1.240 -7.207 227 HA GLU 33 HA GLU 33 -3.142 0.612 -8.835 228 HB2 GLU 33 1HB GLU 33 -3.436 2.877 -6.861 229 HB3 GLU 33 2HB GLU 33 -1.878 2.295 -7.430 230 HG2 GLU 33 1HG GLU 33 -3.943 3.091 -9.420 231 HG3 GLU 33 2HG GLU 33 -3.041 4.339 -8.562 232 H VAL 34 H VAL 34 -1.290 -0.131 -7.554 233 HA VAL 34 HA VAL 34 -2.169 -1.510 -5.101 234 HB VAL 34 HB VAL 34 -0.073 -2.393 -7.089 235 HG11 VAL 34 1HG1 VAL 34 0.539 -3.047 -4.840 236 HG12 VAL 34 2HG1 VAL 34 -1.072 -3.713 -4.568 237 HG13 VAL 34 3HG1 VAL 34 0.005 -4.459 -5.750 238 HG21 VAL 34 3HG2 VAL 34 -2.050 -2.900 -8.152 239 HG22 VAL 34 1HG2 VAL 34 -1.792 -4.364 -7.203 240 HG23 VAL 34 2HG2 VAL 34 -2.927 -3.137 -6.640 241 H ILE 35 H ILE 35 -0.955 -1.341 -3.286 242 HA ILE 35 HA ILE 35 1.536 0.222 -3.471 243 HB ILE 35 HB ILE 35 -0.505 0.338 -1.247 244 HG12 ILE 35 1HG1 ILE 35 0.298 2.520 -3.176 245 HG13 ILE 35 2HG1 ILE 35 -1.102 1.483 -3.425 246 HG21 ILE 35 1HG2 ILE 35 2.272 0.947 -1.276 247 HG22 ILE 35 2HG2 ILE 35 1.371 2.455 -1.129 248 HG23 ILE 35 3HG2 ILE 35 1.110 1.155 0.034 249 HD11 ILE 35 3HD1 ILE 35 -2.334 2.754 -2.105 250 HD12 ILE 35 1HD1 ILE 35 -1.170 2.599 -0.789 251 HD13 ILE 35 2HD1 ILE 35 -0.978 3.875 -1.991 252 H ILE 36 H ILE 36 3.255 -0.878 -2.826 253 HA ILE 36 HA ILE 36 2.976 -3.362 -1.391 254 HB ILE 36 HB ILE 36 5.368 -1.881 -2.465 255 HG12 ILE 36 1HG1 ILE 36 5.405 -3.487 -4.156 256 HG13 ILE 36 2HG1 ILE 36 4.493 -4.654 -3.204 257 HG21 ILE 36 1HG2 ILE 36 5.237 -4.249 -0.655 258 HG22 ILE 36 2HG2 ILE 36 6.512 -4.152 -1.870 259 HG23 ILE 36 3HG2 ILE 36 6.359 -2.890 -0.649 260 HD11 ILE 36 3HD1 ILE 36 3.173 -3.792 -5.046 261 HD12 ILE 36 1HD1 ILE 36 2.475 -3.317 -3.497 262 HD13 ILE 36 2HD1 ILE 36 3.389 -2.147 -4.449 263 H VAL 37 H VAL 37 2.421 -3.092 0.707 264 HA VAL 37 HA VAL 37 3.340 -1.007 2.376 265 HB VAL 37 HB VAL 37 2.330 -3.707 3.270 266 HG11 VAL 37 1HG1 VAL 37 2.695 -2.875 5.300 267 HG12 VAL 37 2HG1 VAL 37 3.113 -1.291 4.644 268 HG13 VAL 37 3HG1 VAL 37 1.427 -1.696 4.970 269 HG21 VAL 37 3HG2 VAL 37 0.211 -3.142 2.762 270 HG22 VAL 37 1HG2 VAL 37 0.457 -1.445 3.176 271 HG23 VAL 37 2HG2 VAL 37 0.970 -2.053 1.601 272 H THR 38 H THR 38 5.194 -0.752 3.434 273 HA THR 38 HA THR 38 6.923 -3.106 3.825 274 HB THR 38 HB THR 38 8.884 -1.609 3.554 275 HG1 THR 38 1HG THR 38 7.117 0.298 2.427 276 HG21 THR 38 3HG2 THR 38 6.990 -2.316 1.425 277 HG22 THR 38 1HG2 THR 38 8.720 -2.633 1.554 278 HG23 THR 38 2HG2 THR 38 8.150 -1.064 0.985 279 H GLY 39 H GLY 39 5.973 0.086 5.016 280 HA2 GLY 39 1HA GLY 39 6.819 -0.781 7.707 281 HA3 GLY 39 2HA GLY 39 7.207 0.829 7.118 282 H GLU 40 H GLU 40 4.747 -1.244 8.399 283 HA GLU 40 HA GLU 40 2.527 0.470 7.991 284 HB2 GLU 40 1HB GLU 40 3.048 -1.772 9.936 285 HB3 GLU 40 2HB GLU 40 1.528 -0.890 9.903 286 HG2 GLU 40 1HG GLU 40 0.987 -2.638 8.562 287 HG3 GLU 40 2HG GLU 40 1.605 -1.518 7.350 288 H GLU 41 H GLU 41 3.052 2.559 8.603 289 HA GLU 41 HA GLU 41 4.333 3.446 10.853 290 HB2 GLU 41 1HB GLU 41 3.195 4.715 8.829 291 HB3 GLU 41 2HB GLU 41 1.887 4.920 9.984 292 HG2 GLU 41 1HG GLU 41 3.320 6.079 11.505 293 HG3 GLU 41 2HG GLU 41 4.736 5.724 10.515 294 H ASP 42 H ASP 42 0.845 2.822 10.531 295 HA ASP 42 HA ASP 42 0.700 2.098 13.330 296 HB2 ASP 42 1HB ASP 42 -1.118 4.296 12.349 297 HB3 ASP 42 2HB ASP 42 -0.896 3.726 14.001 298 H GLN 43 H GLN 43 -1.846 1.787 13.815 299 HA GLN 43 HA GLN 43 -2.651 -0.284 12.009 300 HB2 GLN 43 1HB GLN 43 -3.996 0.903 14.439 301 HB3 GLN 43 2HB GLN 43 -4.624 -0.475 13.544 302 HG2 GLN 43 1HG GLN 43 -2.964 -1.883 14.271 303 HG3 GLN 43 2HG GLN 43 -1.835 -0.566 14.582 304 HE21 GLN 43 1HE2 GLN 43 -3.973 -2.736 15.946 305 HE22 GLN 43 2HE2 GLN 43 -4.103 -2.030 17.516 306 H GLU 44 H GLU 44 -3.003 3.011 11.917 307 HA GLU 44 HA GLU 44 -5.535 2.845 10.423 308 HB2 GLU 44 1HB GLU 44 -4.254 5.154 11.883 309 HB3 GLU 44 2HB GLU 44 -5.623 5.344 10.796 310 HG2 GLU 44 1HG GLU 44 -5.557 3.718 13.326 311 HG3 GLU 44 2HG GLU 44 -6.375 5.261 13.085 312 H TRP 45 H TRP 45 -2.242 4.092 10.380 313 HA TRP 45 HA TRP 45 -2.546 4.601 7.493 314 HB2 TRP 45 1HB TRP 45 -0.749 6.020 9.471 315 HB3 TRP 45 2HB TRP 45 -0.745 6.292 7.730 316 HD1 TRP 45 HD TRP 45 -3.344 6.478 10.619 317 HE1 TRP 45 1HE TRP 45 -4.877 8.495 10.167 318 HE3 TRP 45 3HE TRP 45 -1.374 8.008 6.157 319 HZ2 TRP 45 2HZ TRP 45 -5.207 10.473 8.180 320 HZ3 TRP 45 3HZ TRP 45 -2.356 9.971 5.046 321 HH2 TRP 45 HH TRP 45 -4.233 11.176 6.038 322 H TRP 46 H TRP 46 -1.185 3.584 6.142 323 HA TRP 46 HA TRP 46 1.050 2.081 7.338 324 HB2 TRP 46 1HB TRP 46 -0.851 1.303 5.131 325 HB3 TRP 46 2HB TRP 46 0.688 0.484 5.377 326 HD1 TRP 46 HD TRP 46 -0.068 1.041 8.750 327 HE1 TRP 46 1HE TRP 46 -1.441 -0.852 9.824 328 HE3 TRP 46 3HE TRP 46 -1.780 -1.232 4.503 329 HZ2 TRP 46 2HZ TRP 46 -3.039 -3.022 8.983 330 HZ3 TRP 46 3HZ TRP 46 -3.226 -3.211 4.725 331 HH2 TRP 46 HH TRP 46 -3.841 -4.086 6.919 332 H ILE 47 H ILE 47 2.813 1.571 5.773 333 HA ILE 47 HA ILE 47 3.161 3.755 3.826 334 HB ILE 47 HB ILE 47 5.439 2.485 5.325 335 HG12 ILE 47 1HG1 ILE 47 4.118 5.104 6.045 336 HG13 ILE 47 2HG1 ILE 47 3.758 3.591 6.868 337 HG21 ILE 47 1HG2 ILE 47 6.744 3.843 4.138 338 HG22 ILE 47 2HG2 ILE 47 5.337 4.161 3.125 339 HG23 ILE 47 3HG2 ILE 47 5.717 5.237 4.469 340 HD11 ILE 47 3HD1 ILE 47 5.324 4.605 8.235 341 HD12 ILE 47 1HD1 ILE 47 6.286 3.467 7.292 342 HD13 ILE 47 2HD1 ILE 47 6.286 5.181 6.874 343 H GLY 48 H GLY 48 4.031 3.257 1.854 344 HA2 GLY 48 1HA GLY 48 5.346 0.795 1.285 345 HA3 GLY 48 2HA GLY 48 3.666 0.738 0.773 346 H HIS 49 H HIS 49 5.163 0.380 -1.255 347 HA HIS 49 HA HIS 49 5.341 2.992 -2.599 348 HB2 HIS 49 1HB HIS 49 7.257 2.010 -3.927 349 HB3 HIS 49 2HB HIS 49 7.608 2.358 -2.237 350 HD1 HIS 49 1HD HIS 49 6.729 -0.594 -4.449 351 HD2 HIS 49 2HD HIS 49 8.586 0.243 -0.828 352 HE1 HIS 49 1HE HIS 49 7.703 -2.779 -3.673 353 HE2 HIS 49 2HE HIS 49 8.747 -2.265 -1.439 354 H ILE 50 H ILE 50 4.555 3.096 -4.660 355 HA ILE 50 HA ILE 50 2.565 1.368 -5.480 356 HB ILE 50 HB ILE 50 4.272 3.136 -7.235 357 HG12 ILE 50 1HG1 ILE 50 3.174 4.368 -5.427 358 HG13 ILE 50 2HG1 ILE 50 2.436 4.759 -6.977 359 HG21 ILE 50 1HG2 ILE 50 2.368 1.216 -7.967 360 HG22 ILE 50 2HG2 ILE 50 1.568 2.778 -8.130 361 HG23 ILE 50 3HG2 ILE 50 3.079 2.468 -8.985 362 HD11 ILE 50 3HD1 ILE 50 0.474 4.296 -6.078 363 HD12 ILE 50 1HD1 ILE 50 0.970 2.607 -5.966 364 HD13 ILE 50 2HD1 ILE 50 1.236 3.698 -4.605 365 H GLU 51 H GLU 51 2.628 -0.669 -6.137 366 HA GLU 51 HA GLU 51 4.690 -2.331 -6.475 367 HB2 GLU 51 1HB GLU 51 2.189 -2.815 -6.748 368 HB3 GLU 51 2HB GLU 51 2.415 -2.424 -8.447 369 HG2 GLU 51 1HG GLU 51 4.231 -4.423 -7.218 370 HG3 GLU 51 2HG GLU 51 2.568 -4.897 -7.554 371 H GLY 52 H GLY 52 6.329 -2.717 -7.849 372 HA2 GLY 52 1HA GLY 52 7.588 -2.651 -9.798 373 HA3 GLY 52 2HA GLY 52 6.277 -1.779 -10.578 374 H GLN 53 H GLN 53 6.096 0.356 -8.702 375 HA GLN 53 HA GLN 53 8.578 1.779 -9.377 376 HB2 GLN 53 1HB GLN 53 5.729 2.652 -9.078 377 HB3 GLN 53 2HB GLN 53 7.023 3.817 -8.829 378 HG2 GLN 53 1HG GLN 53 7.683 3.764 -11.028 379 HG3 GLN 53 2HG GLN 53 7.011 2.158 -11.302 380 HE21 GLN 53 1HE2 GLN 53 5.890 5.386 -10.331 381 HE22 GLN 53 2HE2 GLN 53 4.489 5.388 -11.340 382 HA PRO 54 HA PRO 54 8.901 1.310 -4.825 383 HB2 PRO 54 1HB PRO 54 11.615 1.229 -4.820 384 HB3 PRO 54 2HB PRO 54 10.611 -0.197 -5.115 385 HG2 PRO 54 1HG PRO 54 12.013 1.573 -7.081 386 HG3 PRO 54 2HG PRO 54 11.895 -0.196 -7.054 387 HD2 PRO 54 1HD PRO 54 10.350 1.343 -8.659 388 HD3 PRO 54 2HD PRO 54 9.782 -0.195 -7.977 389 H GLU 55 H GLU 55 10.565 3.453 -7.075 390 HA GLU 55 HA GLU 55 11.740 5.266 -5.378 391 HB2 GLU 55 1HB GLU 55 11.301 6.968 -7.176 392 HB3 GLU 55 2HB GLU 55 12.070 5.488 -7.729 393 HG2 GLU 55 1HG GLU 55 9.792 4.681 -8.408 394 HG3 GLU 55 2HG GLU 55 9.199 6.306 -8.069 395 H ARG 56 H ARG 56 8.348 5.059 -6.333 396 HA ARG 56 HA ARG 56 7.651 7.407 -4.779 397 HB2 ARG 56 1HB ARG 56 6.001 5.462 -6.394 398 HB3 ARG 56 2HB ARG 56 5.309 6.808 -5.499 399 HG2 ARG 56 1HG ARG 56 6.530 8.390 -6.849 400 HG3 ARG 56 2HG ARG 56 7.357 7.077 -7.688 401 HD2 ARG 56 1HD ARG 56 5.673 7.622 -9.175 402 HD3 ARG 56 2HD ARG 56 4.958 6.285 -8.275 403 HE ARG 56 HE ARG 56 3.427 7.743 -7.368 404 HH11 ARG 56 1HH1 ARG 56 5.938 9.527 -8.992 405 HH12 ARG 56 2HH1 ARG 56 5.106 11.043 -8.892 406 HH21 ARG 56 1HH2 ARG 56 2.321 9.735 -7.231 407 HH22 ARG 56 2HH2 ARG 56 3.048 11.160 -7.890 408 H LYS 57 H LYS 57 7.665 7.159 -2.634 409 HA LYS 57 HA LYS 57 6.022 5.034 -1.484 410 HB2 LYS 57 1HB LYS 57 7.720 4.488 0.192 411 HB3 LYS 57 2HB LYS 57 8.311 4.165 -1.432 412 HG2 LYS 57 1HG LYS 57 9.340 6.538 -1.257 413 HG3 LYS 57 2HG LYS 57 9.111 6.316 0.479 414 HD2 LYS 57 1HD LYS 57 10.548 4.453 0.535 415 HD3 LYS 57 2HD LYS 57 10.510 4.268 -1.220 416 HE2 LYS 57 1HE LYS 57 11.878 6.146 -1.554 417 HE3 LYS 57 2HE LYS 57 11.619 6.732 0.088 418 HZ1 LYS 57 3HZ LYS 57 12.727 4.224 0.353 419 HZ2 LYS 57 1HZ LYS 57 13.491 5.708 0.631 420 HZ3 LYS 57 2HZ LYS 57 13.612 4.964 -0.884 421 H GLY 58 H GLY 58 4.600 5.935 -0.154 422 HA2 GLY 58 1HA GLY 58 5.426 7.957 1.745 423 HA3 GLY 58 2HA GLY 58 4.304 8.531 0.521 424 H VAL 59 H VAL 59 4.085 8.128 3.497 425 HA VAL 59 HA VAL 59 2.475 6.014 4.217 426 HB VAL 59 HB VAL 59 3.337 7.646 5.831 427 HG11 VAL 59 1HG1 VAL 59 1.718 9.736 6.044 428 HG12 VAL 59 2HG1 VAL 59 3.152 9.768 5.015 429 HG13 VAL 59 3HG1 VAL 59 1.563 9.476 4.307 430 HG21 VAL 59 3HG2 VAL 59 1.629 6.311 6.714 431 HG22 VAL 59 1HG2 VAL 59 1.148 7.957 7.128 432 HG23 VAL 59 2HG2 VAL 59 0.380 7.126 5.774 433 H PHE 60 H PHE 60 0.281 5.601 4.237 434 HA PHE 60 HA PHE 60 -1.522 7.473 2.920 435 HB2 PHE 60 1HB PHE 60 -2.393 5.687 1.416 436 HB3 PHE 60 2HB PHE 60 -0.736 6.159 1.052 437 HD1 PHE 60 2HD PHE 60 1.133 4.669 1.659 438 HD2 PHE 60 1HD PHE 60 -2.929 3.489 2.128 439 HE1 PHE 60 2HE PHE 60 1.840 2.319 1.834 440 HE2 PHE 60 1HE PHE 60 -2.229 1.137 2.305 441 HZ PHE 60 HZ PHE 60 0.159 0.549 2.157 442 HA PRO 61 HA PRO 61 -4.358 6.019 5.944 443 HB2 PRO 61 1HB PRO 61 -6.709 6.543 4.693 444 HB3 PRO 61 2HB PRO 61 -5.679 7.809 5.369 445 HG2 PRO 61 1HG PRO 61 -5.928 6.882 2.534 446 HG3 PRO 61 2HG PRO 61 -5.822 8.536 3.166 447 HD2 PRO 61 1HD PRO 61 -3.698 7.247 2.090 448 HD3 PRO 61 2HD PRO 61 -3.531 8.432 3.401 449 H VAL 62 H VAL 62 -5.077 4.057 6.492 450 HA VAL 62 HA VAL 62 -5.230 1.959 4.555 451 HB VAL 62 HB VAL 62 -5.932 1.972 7.493 452 HG11 VAL 62 1HG1 VAL 62 -6.070 -0.141 5.414 453 HG12 VAL 62 2HG1 VAL 62 -5.468 -0.597 7.009 454 HG13 VAL 62 3HG1 VAL 62 -7.074 0.113 6.841 455 HG21 VAL 62 3HG2 VAL 62 -3.784 0.816 7.758 456 HG22 VAL 62 1HG2 VAL 62 -3.482 0.992 6.029 457 HG23 VAL 62 2HG2 VAL 62 -3.579 2.421 7.058 458 H SER 63 H SER 63 -7.393 4.312 5.455 459 HA SER 63 HA SER 63 -9.785 2.678 5.248 460 HB2 SER 63 1HB SER 63 -9.235 5.564 5.846 461 HB3 SER 63 2HB SER 63 -10.853 5.074 5.343 462 HG SER 63 HG SER 63 -10.474 5.051 7.656 463 H PHE 64 H PHE 64 -7.651 4.036 3.113 464 HA PHE 64 HA PHE 64 -9.712 4.503 1.068 465 HB2 PHE 64 1HB PHE 64 -6.890 5.490 1.378 466 HB3 PHE 64 2HB PHE 64 -7.685 5.511 -0.192 467 HD1 PHE 64 2HD PHE 64 -9.103 6.205 3.171 468 HD2 PHE 64 1HD PHE 64 -8.034 7.757 -0.645 469 HE1 PHE 64 2HE PHE 64 -10.172 8.345 3.746 470 HE2 PHE 64 1HE PHE 64 -9.100 9.900 -0.077 471 HZ PHE 64 HZ PHE 64 -10.172 10.196 2.121 472 H VAL 65 H VAL 65 -7.472 2.241 2.118 473 HA VAL 65 HA VAL 65 -7.426 0.958 -0.538 474 HB VAL 65 HB VAL 65 -5.293 -0.019 -0.056 475 HG11 VAL 65 1HG1 VAL 65 -3.887 1.908 -0.061 476 HG12 VAL 65 2HG1 VAL 65 -5.383 2.341 -0.891 477 HG13 VAL 65 3HG1 VAL 65 -5.109 2.872 0.768 478 HG21 VAL 65 3HG2 VAL 65 -4.481 1.273 2.335 479 HG22 VAL 65 1HG2 VAL 65 -6.022 0.472 2.646 480 HG23 VAL 65 2HG2 VAL 65 -4.656 -0.455 2.027 481 H HIS 66 H HIS 66 -7.299 -1.415 -0.477 482 HA HIS 66 HA HIS 66 -8.402 -2.605 1.969 483 HB2 HIS 66 1HB HIS 66 -10.221 -3.583 0.913 484 HB3 HIS 66 2HB HIS 66 -10.146 -2.017 0.111 485 HD1 HIS 66 1HD HIS 66 -10.823 -5.290 -0.757 486 HD2 HIS 66 2HD HIS 66 -8.202 -2.470 -2.318 487 HE1 HIS 66 1HE HIS 66 -10.346 -6.044 -3.108 488 HE2 HIS 66 2HE HIS 66 -8.691 -4.369 -4.004 489 H ILE 67 H ILE 67 -7.165 -4.243 2.569 490 HA ILE 67 HA ILE 67 -5.048 -5.288 1.105 491 HB ILE 67 HB ILE 67 -6.572 -6.617 3.349 492 HG12 ILE 67 1HG1 ILE 67 -4.043 -4.957 3.406 493 HG13 ILE 67 2HG1 ILE 67 -5.634 -4.388 3.900 494 HG21 ILE 67 1HG2 ILE 67 -4.286 -7.744 3.673 495 HG22 ILE 67 2HG2 ILE 67 -5.330 -8.334 2.381 496 HG23 ILE 67 3HG2 ILE 67 -3.975 -7.270 2.003 497 HD11 ILE 67 3HD1 ILE 67 -5.276 -5.158 5.936 498 HD12 ILE 67 1HD1 ILE 67 -5.077 -6.791 5.300 499 HD13 ILE 67 2HD1 ILE 67 -3.681 -5.723 5.440 500 H LEU 68 H LEU 68 -4.971 -6.594 -0.590 501 HA LEU 68 HA LEU 68 -7.315 -7.861 -1.619 502 HB2 LEU 68 1HB LEU 68 -4.458 -8.285 -2.472 503 HB3 LEU 68 2HB LEU 68 -5.911 -8.625 -3.411 504 HG LEU 68 HG LEU 68 -5.314 -5.825 -2.543 505 HD11 LEU 68 1HD1 LEU 68 -4.033 -7.330 -4.805 506 HD12 LEU 68 2HD1 LEU 68 -3.258 -6.371 -3.545 507 HD13 LEU 68 3HD1 LEU 68 -4.197 -5.574 -4.806 508 HD21 LEU 68 3HD2 LEU 68 -6.966 -7.196 -4.612 509 HD22 LEU 68 1HD2 LEU 68 -6.383 -5.561 -4.919 510 HD23 LEU 68 2HD2 LEU 68 -7.394 -5.886 -3.511 511 H SER 69 H SER 69 -7.574 -10.131 -2.037 512 HA SER 69 HA SER 69 -6.614 -11.748 0.188 513 HB2 SER 69 1HB SER 69 -8.841 -11.982 -1.796 514 HB3 SER 69 2HB SER 69 -8.249 -13.444 -1.006 515 HG SER 69 HG SER 69 -9.520 -12.851 0.556 516 H ASP 70 H ASP 70 -4.696 -11.049 -1.795 517 HA ASP 70 HA ASP 70 -4.314 -13.279 -3.562 518 HB2 ASP 70 1HB ASP 70 -2.783 -10.803 -2.886 519 HB3 ASP 70 2HB ASP 70 -1.943 -12.121 -3.699 520 H SER 71 H SER 71 -2.113 -14.414 -3.532 521 HA SER 71 HA SER 71 -1.007 -14.877 -0.895 522 HB2 SER 71 1HB SER 71 -2.880 -16.400 -0.806 523 HB3 SER 71 2HB SER 71 -2.486 -17.049 -2.399 524 HG SER 71 HG SER 71 -0.690 -17.178 -0.215 525 H GLY 72 H GLY 72 1.069 -15.618 -0.961 526 HA2 GLY 72 1HA GLY 72 2.201 -15.991 -3.656 527 HA3 GLY 72 2HA GLY 72 3.090 -15.397 -2.260 528 HA PRO 73 HA PRO 73 2.505 -20.213 -1.841 529 HB2 PRO 73 1HB PRO 73 2.102 -21.491 -4.203 530 HB3 PRO 73 2HB PRO 73 0.777 -20.934 -3.173 531 HG2 PRO 73 1HG PRO 73 1.948 -19.654 -5.611 532 HG3 PRO 73 2HG PRO 73 0.246 -19.832 -5.149 533 HD2 PRO 73 1HD PRO 73 1.615 -17.522 -4.802 534 HD3 PRO 73 2HD PRO 73 0.320 -18.039 -3.703 535 H SER 74 H SER 74 4.725 -19.986 -1.439 536 HA SER 74 HA SER 74 6.431 -21.095 -3.521 537 HB2 SER 74 1HB SER 74 6.534 -18.572 -3.700 538 HB3 SER 74 2HB SER 74 7.247 -18.561 -2.087 539 HG SER 74 HG SER 74 8.711 -20.249 -3.256 540 H SER 75 H SER 75 8.112 -22.299 -2.741 541 HA SER 75 HA SER 75 7.944 -23.193 -0.054 542 HB2 SER 75 1HB SER 75 9.865 -24.604 -0.605 543 HB3 SER 75 2HB SER 75 8.686 -24.643 -1.916 544 HG SER 75 HG SER 75 10.079 -22.834 -2.785 545 H GLY 76 H GLY 76 9.092 -22.665 1.727 546 HA2 GLY 76 1HA GLY 76 10.642 -21.616 3.072 547 HA3 GLY 76 2HA GLY 76 11.591 -21.284 1.631 Start of MODEL 5 1 H1 GLY 1 H GLY 1 13.177 -15.548 21.743 2 HA2 GLY 1 1HA GLY 1 14.156 -16.414 19.720 3 HA3 GLY 1 2HA GLY 1 12.830 -17.492 20.135 4 H SER 2 H SER 2 14.181 -16.207 17.580 5 HA SER 2 HA SER 2 11.876 -16.449 15.940 6 HB2 SER 2 1HB SER 2 11.608 -14.193 15.176 7 HB3 SER 2 2HB SER 2 11.545 -14.150 16.937 8 HG SER 2 HG SER 2 13.997 -13.788 16.563 9 H SER 3 H SER 3 12.380 -15.972 13.631 10 HA SER 3 HA SER 3 15.055 -15.526 12.795 11 HB2 SER 3 1HB SER 3 15.600 -17.763 11.976 12 HB3 SER 3 2HB SER 3 15.341 -17.803 13.720 13 HG SER 3 HG SER 3 14.259 -19.431 12.193 14 H GLY 4 H GLY 4 14.589 -14.360 11.047 15 HA2 GLY 4 1HA GLY 4 12.303 -15.081 9.378 16 HA3 GLY 4 2HA GLY 4 13.238 -13.596 9.277 17 H SER 5 H SER 5 12.401 -15.639 7.239 18 HA SER 5 HA SER 5 15.069 -16.405 6.257 19 HB2 SER 5 1HB SER 5 13.671 -18.340 6.484 20 HB3 SER 5 2HB SER 5 12.330 -17.542 5.663 21 HG SER 5 HG SER 5 14.763 -18.479 4.575 22 H SER 6 H SER 6 11.894 -15.429 4.948 23 HA SER 6 HA SER 6 13.097 -14.419 2.536 24 HB2 SER 6 1HB SER 6 10.809 -13.799 1.906 25 HB3 SER 6 2HB SER 6 10.860 -15.455 2.508 26 HG SER 6 HG SER 6 10.136 -14.627 4.538 27 H GLY 7 H GLY 7 12.997 -13.230 5.581 28 HA2 GLY 7 1HA GLY 7 14.024 -11.052 5.942 29 HA3 GLY 7 2HA GLY 7 13.072 -10.448 4.593 30 H ASN 8 H ASN 8 11.178 -9.491 5.013 31 HA ASN 8 HA ASN 8 9.977 -9.902 7.667 32 HB2 ASN 8 1HB ASN 8 10.078 -7.235 6.251 33 HB3 ASN 8 2HB ASN 8 9.531 -7.557 7.894 34 HD21 ASN 8 1HD2 ASN 8 11.698 -5.848 6.698 35 HD22 ASN 8 2HD2 ASN 8 13.116 -6.268 7.591 36 H LYS 9 H LYS 9 7.777 -10.019 7.746 37 HA LYS 9 HA LYS 9 6.358 -10.819 5.491 38 HB2 LYS 9 1HB LYS 9 5.825 -11.064 8.037 39 HB3 LYS 9 2HB LYS 9 4.963 -9.547 7.822 40 HG2 LYS 9 1HG LYS 9 4.409 -11.797 5.952 41 HG3 LYS 9 2HG LYS 9 3.732 -11.842 7.581 42 HD2 LYS 9 1HD LYS 9 3.441 -9.387 5.894 43 HD3 LYS 9 2HD LYS 9 2.363 -10.764 5.652 44 HE2 LYS 9 1HE LYS 9 2.087 -10.611 8.253 45 HE3 LYS 9 2HE LYS 9 2.643 -8.955 8.012 46 HZ1 LYS 9 3HZ LYS 9 0.078 -9.990 7.611 47 HZ2 LYS 9 1HZ LYS 9 0.675 -9.519 6.100 48 HZ3 LYS 9 2HZ LYS 9 0.614 -8.403 7.369 49 H VAL 10 H VAL 10 5.503 -9.748 3.840 50 HA VAL 10 HA VAL 10 5.202 -6.831 4.069 51 HB VAL 10 HB VAL 10 5.522 -6.636 1.747 52 HG11 VAL 10 1HG1 VAL 10 7.704 -7.228 1.589 53 HG12 VAL 10 2HG1 VAL 10 7.475 -7.603 3.299 54 HG13 VAL 10 3HG1 VAL 10 7.404 -8.891 2.095 55 HG21 VAL 10 3HG2 VAL 10 5.536 -8.506 0.194 56 HG22 VAL 10 1HG2 VAL 10 5.251 -9.632 1.522 57 HG23 VAL 10 2HG2 VAL 10 4.012 -8.457 1.080 58 H ARG 11 H ARG 11 3.337 -5.807 3.277 59 HA ARG 11 HA ARG 11 1.008 -7.587 2.982 60 HB2 ARG 11 1HB ARG 11 1.419 -5.078 4.517 61 HB3 ARG 11 2HB ARG 11 -0.146 -5.290 3.743 62 HG2 ARG 11 1HG ARG 11 0.029 -7.670 4.900 63 HG3 ARG 11 2HG ARG 11 1.073 -6.768 6.000 64 HD2 ARG 11 1HD ARG 11 -0.758 -5.093 6.249 65 HD3 ARG 11 2HD ARG 11 -1.791 -6.152 5.292 66 HE ARG 11 HE ARG 11 -1.031 -6.495 8.044 67 HH11 ARG 11 1HH1 ARG 11 -2.139 -8.086 5.153 68 HH12 ARG 11 2HH1 ARG 11 -2.845 -9.421 6.001 69 HH21 ARG 11 1HH2 ARG 11 -1.956 -8.248 9.173 70 HH22 ARG 11 2HH2 ARG 11 -2.740 -9.512 8.289 71 H ARG 12 H ARG 12 -0.281 -7.342 1.244 72 HA ARG 12 HA ARG 12 0.398 -5.173 -0.630 73 HB2 ARG 12 1HB ARG 12 -0.315 -8.035 -1.010 74 HB3 ARG 12 2HB ARG 12 -0.883 -6.894 -2.221 75 HG2 ARG 12 1HG ARG 12 1.554 -6.092 -2.315 76 HG3 ARG 12 2HG ARG 12 1.928 -7.598 -1.476 77 HD2 ARG 12 1HD ARG 12 0.984 -8.896 -3.259 78 HD3 ARG 12 2HD ARG 12 0.376 -7.445 -4.055 79 HE ARG 12 HE ARG 12 3.232 -7.475 -3.697 80 HH11 ARG 12 1HH1 ARG 12 0.582 -8.410 -5.754 81 HH12 ARG 12 2HH1 ARG 12 1.551 -8.483 -7.188 82 HH21 ARG 12 1HH2 ARG 12 4.518 -7.568 -5.579 83 HH22 ARG 12 2HH2 ARG 12 3.790 -8.005 -7.088 84 H VAL 13 H VAL 13 -1.115 -3.719 -1.112 85 HA VAL 13 HA VAL 13 -3.939 -4.395 -0.667 86 HB VAL 13 HB VAL 13 -4.316 -2.108 0.249 87 HG11 VAL 13 1HG1 VAL 13 -3.346 -4.394 1.535 88 HG12 VAL 13 2HG1 VAL 13 -2.484 -3.038 2.263 89 HG13 VAL 13 3HG1 VAL 13 -4.248 -3.062 2.255 90 HG21 VAL 13 3HG2 VAL 13 -2.417 -0.919 -0.550 91 HG22 VAL 13 1HG2 VAL 13 -2.292 -0.962 1.208 92 HG23 VAL 13 2HG2 VAL 13 -1.304 -2.044 0.227 93 H LYS 14 H LYS 14 -5.363 -2.551 -1.584 94 HA LYS 14 HA LYS 14 -4.173 -1.397 -4.002 95 HB2 LYS 14 1HB LYS 14 -5.174 -3.411 -4.813 96 HB3 LYS 14 2HB LYS 14 -6.640 -3.132 -3.882 97 HG2 LYS 14 1HG LYS 14 -6.875 -0.999 -5.308 98 HG3 LYS 14 2HG LYS 14 -5.708 -1.777 -6.380 99 HD2 LYS 14 1HD LYS 14 -8.060 -3.358 -5.478 100 HD3 LYS 14 2HD LYS 14 -8.317 -2.101 -6.690 101 HE2 LYS 14 1HE LYS 14 -7.894 -4.244 -7.757 102 HE3 LYS 14 2HE LYS 14 -6.584 -3.115 -8.095 103 HZ1 LYS 14 3HZ LYS 14 -6.451 -5.112 -5.912 104 HZ2 LYS 14 1HZ LYS 14 -5.183 -4.204 -6.568 105 HZ3 LYS 14 2HZ LYS 14 -5.901 -5.435 -7.479 106 H THR 15 H THR 15 -5.058 0.534 -4.665 107 HA THR 15 HA THR 15 -6.551 1.980 -2.678 108 HB THR 15 HB THR 15 -6.357 3.897 -4.232 109 HG1 THR 15 1HG THR 15 -6.314 3.119 -6.254 110 HG21 THR 15 3HG2 THR 15 -3.935 2.300 -3.484 111 HG22 THR 15 1HG2 THR 15 -4.551 3.789 -2.770 112 HG23 THR 15 2HG2 THR 15 -3.765 3.827 -4.349 113 H ILE 16 H ILE 16 -8.667 1.557 -2.506 114 HA ILE 16 HA ILE 16 -10.273 0.915 -4.822 115 HB ILE 16 HB ILE 16 -12.158 0.950 -3.079 116 HG12 ILE 16 1HG1 ILE 16 -9.839 0.843 -1.150 117 HG13 ILE 16 2HG1 ILE 16 -10.746 2.318 -1.461 118 HG21 ILE 16 1HG2 ILE 16 -10.036 -1.039 -2.391 119 HG22 ILE 16 2HG2 ILE 16 -11.773 -1.273 -2.576 120 HG23 ILE 16 3HG2 ILE 16 -10.759 -1.033 -3.999 121 HD11 ILE 16 3HD1 ILE 16 -11.344 0.767 0.553 122 HD12 ILE 16 1HD1 ILE 16 -12.611 1.559 -0.383 123 HD13 ILE 16 2HD1 ILE 16 -12.226 -0.137 -0.676 124 H TYR 17 H TYR 17 -9.339 3.731 -3.190 125 HA TYR 17 HA TYR 17 -11.457 5.247 -4.560 126 HB2 TYR 17 1HB TYR 17 -10.305 5.919 -1.844 127 HB3 TYR 17 2HB TYR 17 -11.561 6.811 -2.697 128 HD1 TYR 17 1HD TYR 17 -13.363 4.739 -3.632 129 HD2 TYR 17 2HD TYR 17 -11.268 5.020 0.060 130 HE1 TYR 17 1HE TYR 17 -15.084 3.350 -2.556 131 HE2 TYR 17 2HE TYR 17 -12.982 3.631 1.146 132 HH TYR 17 HH TYR 17 -15.110 1.760 -0.441 133 H ASP 18 H ASP 18 -10.877 7.392 -5.203 134 HA ASP 18 HA ASP 18 -8.084 7.582 -5.968 135 HB2 ASP 18 1HB ASP 18 -8.998 9.722 -7.130 136 HB3 ASP 18 2HB ASP 18 -9.466 8.144 -7.757 137 H CYS 19 H CYS 19 -6.609 8.874 -5.063 138 HA CYS 19 HA CYS 19 -7.519 11.020 -3.273 139 HB2 CYS 19 1HB CYS 19 -6.740 8.840 -2.105 140 HB3 CYS 19 2HB CYS 19 -5.123 9.338 -2.590 141 HG CYS 19 HG CYS 19 -6.592 10.105 0.113 142 H GLN 20 H GLN 20 -6.096 12.788 -3.056 143 HA GLN 20 HA GLN 20 -3.852 12.853 -4.954 144 HB2 GLN 20 1HB GLN 20 -5.882 13.980 -5.893 145 HB3 GLN 20 2HB GLN 20 -5.812 15.117 -4.553 146 HG2 GLN 20 1HG GLN 20 -4.733 16.296 -6.184 147 HG3 GLN 20 2HG GLN 20 -3.372 15.505 -5.392 148 HE21 GLN 20 1HE2 GLN 20 -4.389 16.372 -8.277 149 HE22 GLN 20 2HE2 GLN 20 -3.769 15.091 -9.256 150 H ALA 21 H ALA 21 -2.391 12.613 -3.245 151 HA ALA 21 HA ALA 21 -2.396 14.135 -0.883 152 HB1 ALA 21 3HB ALA 21 0.009 13.478 -0.732 153 HB2 ALA 21 1HB ALA 21 -1.103 12.132 -0.985 154 HB3 ALA 21 2HB ALA 21 -0.147 12.751 -2.331 155 H ASP 22 H ASP 22 -1.538 16.080 -0.341 156 HA ASP 22 HA ASP 22 -0.698 17.796 -2.553 157 HB2 ASP 22 1HB ASP 22 -2.484 18.679 -1.184 158 HB3 ASP 22 2HB ASP 22 -1.537 18.433 0.281 159 H ASN 23 H ASN 23 0.428 16.566 0.549 160 HA ASN 23 HA ASN 23 2.968 17.976 0.251 161 HB2 ASN 23 1HB ASN 23 1.662 16.453 2.485 162 HB3 ASN 23 2HB ASN 23 3.396 16.757 2.517 163 HD21 ASN 23 1HD2 ASN 23 0.237 18.151 2.726 164 HD22 ASN 23 2HD2 ASN 23 0.735 19.712 3.274 165 H ASP 24 H ASP 24 4.979 16.896 0.235 166 HA ASP 24 HA ASP 24 5.189 14.715 -1.461 167 HB2 ASP 24 1HB ASP 24 7.142 15.733 0.611 168 HB3 ASP 24 2HB ASP 24 7.544 14.532 -0.615 169 H ASP 25 H ASP 25 5.416 14.774 2.087 170 HA ASP 25 HA ASP 25 5.994 12.174 2.649 171 HB2 ASP 25 1HB ASP 25 4.114 14.080 4.032 172 HB3 ASP 25 2HB ASP 25 4.459 12.478 4.681 173 H GLU 26 H GLU 26 2.752 13.476 1.985 174 HA GLU 26 HA GLU 26 1.460 10.945 2.169 175 HB2 GLU 26 1HB GLU 26 0.652 13.652 1.157 176 HB3 GLU 26 2HB GLU 26 -0.384 12.258 0.882 177 HG2 GLU 26 1HG GLU 26 -0.464 11.861 3.304 178 HG3 GLU 26 2HG GLU 26 0.524 13.298 3.556 179 H LEU 27 H LEU 27 1.270 9.383 0.700 180 HA LEU 27 HA LEU 27 2.570 9.658 -1.852 181 HB2 LEU 27 1HB LEU 27 2.752 7.596 -0.562 182 HB3 LEU 27 2HB LEU 27 1.007 7.369 -0.666 183 HG LEU 27 HG LEU 27 1.274 7.173 -3.153 184 HD11 LEU 27 1HD1 LEU 27 4.184 6.705 -2.643 185 HD12 LEU 27 2HD1 LEU 27 3.587 8.321 -3.019 186 HD13 LEU 27 3HD1 LEU 27 3.348 7.004 -4.167 187 HD21 LEU 27 3HD2 LEU 27 2.863 5.131 -1.613 188 HD22 LEU 27 1HD2 LEU 27 1.913 4.886 -3.079 189 HD23 LEU 27 2HD2 LEU 27 1.103 5.243 -1.554 190 H THR 28 H THR 28 1.662 10.037 -3.776 191 HA THR 28 HA THR 28 -1.215 10.508 -3.869 192 HB THR 28 HB THR 28 0.963 11.127 -5.874 193 HG1 THR 28 1HG THR 28 -0.642 12.982 -4.459 194 HG21 THR 28 3HG2 THR 28 -0.828 12.485 -6.988 195 HG22 THR 28 1HG2 THR 28 -2.003 11.674 -5.954 196 HG23 THR 28 2HG2 THR 28 -1.051 10.741 -7.109 197 H PHE 29 H PHE 29 -2.576 9.037 -4.625 198 HA PHE 29 HA PHE 29 -1.742 7.272 -6.797 199 HB2 PHE 29 1HB PHE 29 -2.734 5.304 -5.620 200 HB3 PHE 29 2HB PHE 29 -1.283 5.931 -4.846 201 HD1 PHE 29 2HD PHE 29 -4.947 5.705 -4.617 202 HD2 PHE 29 1HD PHE 29 -1.347 6.843 -2.652 203 HE1 PHE 29 2HE PHE 29 -6.173 5.907 -2.494 204 HE2 PHE 29 1HE PHE 29 -2.568 7.046 -0.526 205 HZ PHE 29 HZ PHE 29 -4.984 6.579 -0.445 206 H ILE 30 H ILE 30 -3.658 5.997 -7.640 207 HA ILE 30 HA ILE 30 -6.165 7.500 -7.312 208 HB ILE 30 HB ILE 30 -6.595 7.304 -9.726 209 HG12 ILE 30 1HG1 ILE 30 -3.707 6.599 -10.143 210 HG13 ILE 30 2HG1 ILE 30 -4.893 5.325 -9.882 211 HG21 ILE 30 1HG2 ILE 30 -4.031 8.720 -9.009 212 HG22 ILE 30 2HG2 ILE 30 -4.981 9.017 -10.464 213 HG23 ILE 30 3HG2 ILE 30 -5.666 9.368 -8.877 214 HD11 ILE 30 3HD1 ILE 30 -4.262 6.695 -12.273 215 HD12 ILE 30 1HD1 ILE 30 -5.433 5.403 -12.019 216 HD13 ILE 30 2HD1 ILE 30 -5.927 7.087 -11.842 217 H GLU 31 H GLU 31 -8.090 6.324 -7.916 218 HA GLU 31 HA GLU 31 -8.274 3.789 -6.846 219 HB2 GLU 31 1HB GLU 31 -10.199 5.282 -7.284 220 HB3 GLU 31 2HB GLU 31 -10.041 4.955 -9.005 221 HG2 GLU 31 1HG GLU 31 -10.362 2.506 -8.411 222 HG3 GLU 31 2HG GLU 31 -10.871 3.074 -6.822 223 H GLY 32 H GLY 32 -7.799 1.792 -7.517 224 HA2 GLY 32 1HA GLY 32 -7.635 0.039 -9.089 225 HA3 GLY 32 2HA GLY 32 -7.603 1.231 -10.380 226 H GLU 33 H GLU 33 -5.587 1.220 -7.483 227 HA GLU 33 HA GLU 33 -3.255 0.621 -9.178 228 HB2 GLU 33 1HB GLU 33 -3.502 2.776 -7.075 229 HB3 GLU 33 2HB GLU 33 -1.971 2.259 -7.768 230 HG2 GLU 33 1HG GLU 33 -4.198 3.186 -9.531 231 HG3 GLU 33 2HG GLU 33 -3.151 4.346 -8.715 232 H VAL 34 H VAL 34 -1.311 0.003 -7.852 233 HA VAL 34 HA VAL 34 -2.156 -1.596 -5.522 234 HB VAL 34 HB VAL 34 0.003 -2.226 -7.540 235 HG11 VAL 34 1HG1 VAL 34 -0.636 -3.338 -4.867 236 HG12 VAL 34 2HG1 VAL 34 -0.203 -4.480 -6.141 237 HG13 VAL 34 3HG1 VAL 34 0.915 -3.191 -5.693 238 HG21 VAL 34 3HG2 VAL 34 -2.801 -3.118 -7.160 239 HG22 VAL 34 1HG2 VAL 34 -1.868 -2.904 -8.642 240 HG23 VAL 34 2HG2 VAL 34 -1.617 -4.334 -7.642 241 H ILE 35 H ILE 35 -0.714 -1.781 -3.774 242 HA ILE 35 HA ILE 35 1.621 -0.008 -3.788 243 HB ILE 35 HB ILE 35 -0.415 -0.001 -1.558 244 HG12 ILE 35 1HG1 ILE 35 0.109 2.027 -3.741 245 HG13 ILE 35 2HG1 ILE 35 -1.363 1.090 -3.509 246 HG21 ILE 35 1HG2 ILE 35 1.665 2.088 -1.871 247 HG22 ILE 35 2HG2 ILE 35 0.945 1.415 -0.409 248 HG23 ILE 35 3HG2 ILE 35 2.176 0.505 -1.286 249 HD11 ILE 35 3HD1 ILE 35 -0.941 2.426 -1.096 250 HD12 ILE 35 1HD1 ILE 35 -0.599 3.603 -2.363 251 HD13 ILE 35 2HD1 ILE 35 -2.157 2.778 -2.324 252 H ILE 36 H ILE 36 3.336 -0.759 -2.658 253 HA ILE 36 HA ILE 36 3.059 -3.412 -1.458 254 HB ILE 36 HB ILE 36 5.528 -1.860 -2.245 255 HG12 ILE 36 1HG1 ILE 36 4.224 -2.680 -4.152 256 HG13 ILE 36 2HG1 ILE 36 5.738 -3.567 -4.003 257 HG21 ILE 36 1HG2 ILE 36 6.037 -3.253 -0.348 258 HG22 ILE 36 2HG2 ILE 36 5.248 -4.635 -1.105 259 HG23 ILE 36 3HG2 ILE 36 6.730 -3.978 -1.800 260 HD11 ILE 36 3HD1 ILE 36 4.572 -5.440 -4.070 261 HD12 ILE 36 1HD1 ILE 36 3.856 -5.008 -2.519 262 HD13 ILE 36 2HD1 ILE 36 3.053 -4.547 -4.020 263 H VAL 37 H VAL 37 2.328 -3.110 0.597 264 HA VAL 37 HA VAL 37 3.161 -1.047 2.335 265 HB VAL 37 HB VAL 37 2.105 -3.733 3.206 266 HG11 VAL 37 1HG1 VAL 37 1.677 -2.791 5.215 267 HG12 VAL 37 2HG1 VAL 37 2.982 -1.704 4.734 268 HG13 VAL 37 3HG1 VAL 37 1.301 -1.216 4.517 269 HG21 VAL 37 3HG2 VAL 37 0.136 -1.612 2.905 270 HG22 VAL 37 1HG2 VAL 37 0.866 -2.093 1.374 271 HG23 VAL 37 2HG2 VAL 37 0.071 -3.297 2.390 272 H THR 38 H THR 38 5.149 -0.781 3.092 273 HA THR 38 HA THR 38 6.750 -3.170 3.734 274 HB THR 38 HB THR 38 8.734 -1.651 3.561 275 HG1 THR 38 1HG THR 38 8.282 0.340 2.348 276 HG21 THR 38 3HG2 THR 38 8.220 -1.271 0.934 277 HG22 THR 38 1HG2 THR 38 6.978 -2.456 1.333 278 HG23 THR 38 2HG2 THR 38 8.677 -2.826 1.629 279 H GLY 39 H GLY 39 5.894 0.088 4.843 280 HA2 GLY 39 1HA GLY 39 6.670 -0.754 7.568 281 HA3 GLY 39 2HA GLY 39 6.965 0.872 6.969 282 H GLU 40 H GLU 40 4.613 -1.343 8.226 283 HA GLU 40 HA GLU 40 2.370 0.420 7.861 284 HB2 GLU 40 1HB GLU 40 2.729 -2.107 9.476 285 HB3 GLU 40 2HB GLU 40 1.212 -1.225 9.377 286 HG2 GLU 40 1HG GLU 40 0.845 -1.817 7.194 287 HG3 GLU 40 2HG GLU 40 2.558 -2.065 6.860 288 H GLU 41 H GLU 41 2.614 2.339 8.889 289 HA GLU 41 HA GLU 41 3.848 2.780 11.349 290 HB2 GLU 41 1HB GLU 41 1.896 4.291 9.678 291 HB3 GLU 41 2HB GLU 41 2.147 4.822 11.336 292 HG2 GLU 41 1HG GLU 41 4.634 4.821 10.779 293 HG3 GLU 41 2HG GLU 41 4.131 4.700 9.095 294 H ASP 42 H ASP 42 0.457 2.112 10.588 295 HA ASP 42 HA ASP 42 0.006 0.937 13.148 296 HB2 ASP 42 1HB ASP 42 -1.963 2.657 13.558 297 HB3 ASP 42 2HB ASP 42 -0.333 2.986 14.139 298 H GLN 43 H GLN 43 -2.561 0.689 13.402 299 HA GLN 43 HA GLN 43 -3.371 -0.812 11.112 300 HB2 GLN 43 1HB GLN 43 -3.896 -1.354 13.535 301 HB3 GLN 43 2HB GLN 43 -5.095 -0.070 13.474 302 HG2 GLN 43 1HG GLN 43 -5.196 -2.176 11.386 303 HG3 GLN 43 2HG GLN 43 -5.720 -2.589 13.018 304 HE21 GLN 43 1HE2 GLN 43 -6.971 -0.406 13.896 305 HE22 GLN 43 2HE2 GLN 43 -8.332 -0.023 12.903 306 H GLU 44 H GLU 44 -3.391 2.417 11.632 307 HA GLU 44 HA GLU 44 -5.877 2.837 10.111 308 HB2 GLU 44 1HB GLU 44 -4.386 4.988 11.595 309 HB3 GLU 44 2HB GLU 44 -6.058 4.992 11.053 310 HG2 GLU 44 1HG GLU 44 -6.385 4.606 13.261 311 HG3 GLU 44 2HG GLU 44 -6.232 2.942 12.702 312 H TRP 45 H TRP 45 -2.447 3.576 10.280 313 HA TRP 45 HA TRP 45 -2.583 4.506 7.492 314 HB2 TRP 45 1HB TRP 45 -1.035 5.707 9.784 315 HB3 TRP 45 2HB TRP 45 -0.617 6.018 8.102 316 HD1 TRP 45 HD TRP 45 -3.552 6.553 10.559 317 HE1 TRP 45 1HE TRP 45 -4.899 8.595 9.761 318 HE3 TRP 45 3HE TRP 45 -1.084 7.492 6.181 319 HZ2 TRP 45 2HZ TRP 45 -4.914 10.371 7.567 320 HZ3 TRP 45 3HZ TRP 45 -1.829 9.382 4.790 321 HH2 TRP 45 HH TRP 45 -3.703 10.789 5.471 322 H TRP 46 H TRP 46 -1.111 3.654 6.124 323 HA TRP 46 HA TRP 46 1.019 1.984 7.287 324 HB2 TRP 46 1HB TRP 46 -0.929 1.358 5.093 325 HB3 TRP 46 2HB TRP 46 0.659 0.596 5.104 326 HD1 TRP 46 HD TRP 46 0.133 0.766 8.582 327 HE1 TRP 46 1HE TRP 46 -1.027 -1.324 9.537 328 HE3 TRP 46 3HE TRP 46 -1.714 -1.193 4.236 329 HZ2 TRP 46 2HZ TRP 46 -2.526 -3.513 8.576 330 HZ3 TRP 46 3HZ TRP 46 -3.000 -3.289 4.341 331 HH2 TRP 46 HH TRP 46 -3.395 -4.423 6.466 332 H ILE 47 H ILE 47 2.674 1.401 5.484 333 HA ILE 47 HA ILE 47 3.130 3.720 3.738 334 HB ILE 47 HB ILE 47 5.343 2.433 5.330 335 HG12 ILE 47 1HG1 ILE 47 4.011 5.083 5.907 336 HG13 ILE 47 2HG1 ILE 47 3.640 3.599 6.777 337 HG21 ILE 47 1HG2 ILE 47 6.758 3.926 4.372 338 HG22 ILE 47 2HG2 ILE 47 5.568 3.829 3.074 339 HG23 ILE 47 3HG2 ILE 47 5.517 5.171 4.217 340 HD11 ILE 47 3HD1 ILE 47 5.577 3.638 7.942 341 HD12 ILE 47 1HD1 ILE 47 6.481 4.401 6.634 342 HD13 ILE 47 2HD1 ILE 47 5.410 5.369 7.647 343 H GLY 48 H GLY 48 4.006 3.271 1.767 344 HA2 GLY 48 1HA GLY 48 5.412 0.873 1.163 345 HA3 GLY 48 2HA GLY 48 3.735 0.751 0.650 346 H HIS 49 H HIS 49 5.390 0.499 -1.337 347 HA HIS 49 HA HIS 49 5.421 3.132 -2.657 348 HB2 HIS 49 1HB HIS 49 7.372 2.237 -3.995 349 HB3 HIS 49 2HB HIS 49 7.707 2.558 -2.296 350 HD1 HIS 49 1HD HIS 49 6.462 -0.489 -4.228 351 HD2 HIS 49 2HD HIS 49 9.201 0.561 -1.285 352 HE1 HIS 49 1HE HIS 49 7.614 -2.630 -3.587 353 HE2 HIS 49 2HE HIS 49 9.207 -1.984 -1.746 354 H ILE 50 H ILE 50 4.592 3.256 -4.689 355 HA ILE 50 HA ILE 50 2.707 1.406 -5.544 356 HB ILE 50 HB ILE 50 4.193 3.437 -7.214 357 HG12 ILE 50 1HG1 ILE 50 2.807 4.146 -5.134 358 HG13 ILE 50 2HG1 ILE 50 2.540 4.988 -6.657 359 HG21 ILE 50 1HG2 ILE 50 3.217 2.324 -8.906 360 HG22 ILE 50 2HG2 ILE 50 2.065 1.515 -7.846 361 HG23 ILE 50 3HG2 ILE 50 1.763 3.170 -8.378 362 HD11 ILE 50 3HD1 ILE 50 0.618 3.836 -5.056 363 HD12 ILE 50 1HD1 ILE 50 0.414 4.361 -6.727 364 HD13 ILE 50 2HD1 ILE 50 0.817 2.680 -6.373 365 H GLU 51 H GLU 51 2.862 -0.521 -6.473 366 HA GLU 51 HA GLU 51 5.117 -1.955 -6.935 367 HB2 GLU 51 1HB GLU 51 2.760 -2.806 -7.036 368 HB3 GLU 51 2HB GLU 51 2.651 -2.158 -8.666 369 HG2 GLU 51 1HG GLU 51 4.756 -3.606 -9.108 370 HG3 GLU 51 2HG GLU 51 4.250 -4.463 -7.654 371 H GLY 52 H GLY 52 6.623 -2.213 -8.514 372 HA2 GLY 52 1HA GLY 52 7.724 -1.896 -10.526 373 HA3 GLY 52 2HA GLY 52 6.293 -1.081 -11.140 374 H GLN 53 H GLN 53 6.044 0.959 -9.258 375 HA GLN 53 HA GLN 53 8.418 2.567 -9.906 376 HB2 GLN 53 1HB GLN 53 5.517 3.222 -9.590 377 HB3 GLN 53 2HB GLN 53 6.715 4.470 -9.277 378 HG2 GLN 53 1HG GLN 53 7.563 4.307 -11.508 379 HG3 GLN 53 2HG GLN 53 6.546 2.906 -11.840 380 HE21 GLN 53 1HE2 GLN 53 4.128 3.470 -11.162 381 HE22 GLN 53 2HE2 GLN 53 3.530 4.912 -11.903 382 HA PRO 54 HA PRO 54 8.804 1.999 -5.370 383 HB2 PRO 54 1HB PRO 54 11.517 2.100 -5.381 384 HB3 PRO 54 2HB PRO 54 10.610 0.618 -5.710 385 HG2 PRO 54 1HG PRO 54 11.875 2.531 -7.634 386 HG3 PRO 54 2HG PRO 54 11.876 0.757 -7.655 387 HD2 PRO 54 1HD PRO 54 10.220 2.231 -9.209 388 HD3 PRO 54 2HD PRO 54 9.762 0.641 -8.566 389 H GLU 55 H GLU 55 10.375 4.290 -7.553 390 HA GLU 55 HA GLU 55 11.453 6.137 -5.885 391 HB2 GLU 55 1HB GLU 55 10.545 7.875 -7.584 392 HB3 GLU 55 2HB GLU 55 11.668 6.641 -8.142 393 HG2 GLU 55 1HG GLU 55 9.841 5.339 -9.045 394 HG3 GLU 55 2HG GLU 55 8.674 6.503 -8.418 395 H ARG 56 H ARG 56 8.043 5.562 -6.443 396 HA ARG 56 HA ARG 56 7.295 7.828 -4.764 397 HB2 ARG 56 1HB ARG 56 5.635 5.846 -6.330 398 HB3 ARG 56 2HB ARG 56 4.960 7.142 -5.353 399 HG2 ARG 56 1HG ARG 56 5.798 8.804 -6.777 400 HG3 ARG 56 2HG ARG 56 6.904 7.681 -7.571 401 HD2 ARG 56 1HD ARG 56 5.221 7.864 -9.136 402 HD3 ARG 56 2HD ARG 56 4.721 6.432 -8.239 403 HE ARG 56 HE ARG 56 2.841 7.561 -7.634 404 HH11 ARG 56 1HH1 ARG 56 5.306 9.885 -8.437 405 HH12 ARG 56 2HH1 ARG 56 4.265 11.255 -8.231 406 HH21 ARG 56 1HH2 ARG 56 1.461 9.357 -7.360 407 HH22 ARG 56 2HH2 ARG 56 2.079 10.954 -7.617 408 H LYS 57 H LYS 57 7.524 7.448 -2.649 409 HA LYS 57 HA LYS 57 6.122 5.148 -1.511 410 HB2 LYS 57 1HB LYS 57 8.015 4.701 0.029 411 HB3 LYS 57 2HB LYS 57 8.409 4.382 -1.655 412 HG2 LYS 57 1HG LYS 57 9.450 6.682 -1.715 413 HG3 LYS 57 2HG LYS 57 9.275 6.704 0.040 414 HD2 LYS 57 1HD LYS 57 11.398 5.866 -0.136 415 HD3 LYS 57 2HD LYS 57 10.475 4.362 -0.155 416 HE2 LYS 57 1HE LYS 57 10.605 4.256 -2.556 417 HE3 LYS 57 2HE LYS 57 11.366 5.845 -2.625 418 HZ1 LYS 57 3HZ LYS 57 12.732 3.897 -0.974 419 HZ2 LYS 57 1HZ LYS 57 13.360 5.006 -2.087 420 HZ3 LYS 57 2HZ LYS 57 12.714 3.540 -2.628 421 H GLY 58 H GLY 58 4.688 5.973 -0.143 422 HA2 GLY 58 1HA GLY 58 5.541 7.825 1.911 423 HA3 GLY 58 2HA GLY 58 4.391 8.497 0.764 424 H VAL 59 H VAL 59 3.956 8.175 3.561 425 HA VAL 59 HA VAL 59 2.419 5.869 4.138 426 HB VAL 59 HB VAL 59 3.413 7.358 5.869 427 HG11 VAL 59 1HG1 VAL 59 1.233 9.215 4.943 428 HG12 VAL 59 2HG1 VAL 59 2.031 9.368 6.510 429 HG13 VAL 59 3HG1 VAL 59 2.967 9.526 5.022 430 HG21 VAL 59 3HG2 VAL 59 1.104 7.483 7.198 431 HG22 VAL 59 1HG2 VAL 59 0.594 6.448 5.865 432 HG23 VAL 59 2HG2 VAL 59 1.940 5.961 6.894 433 H PHE 60 H PHE 60 0.217 5.526 4.141 434 HA PHE 60 HA PHE 60 -1.524 7.610 3.065 435 HB2 PHE 60 1HB PHE 60 -2.541 5.928 1.486 436 HB3 PHE 60 2HB PHE 60 -0.915 6.454 1.063 437 HD1 PHE 60 2HD PHE 60 1.021 4.951 1.581 438 HD2 PHE 60 1HD PHE 60 -3.026 3.668 1.892 439 HE1 PHE 60 2HE PHE 60 1.763 2.605 1.516 440 HE2 PHE 60 1HE PHE 60 -2.290 1.321 1.827 441 HZ PHE 60 HZ PHE 60 0.106 0.787 1.639 442 HA PRO 61 HA PRO 61 -4.419 6.073 5.984 443 HB2 PRO 61 1HB PRO 61 -6.767 6.644 4.745 444 HB3 PRO 61 2HB PRO 61 -5.730 7.886 5.457 445 HG2 PRO 61 1HG PRO 61 -5.979 7.039 2.597 446 HG3 PRO 61 2HG PRO 61 -5.864 8.673 3.273 447 HD2 PRO 61 1HD PRO 61 -3.745 7.403 2.167 448 HD3 PRO 61 2HD PRO 61 -3.575 8.551 3.510 449 H VAL 62 H VAL 62 -4.780 3.991 6.391 450 HA VAL 62 HA VAL 62 -5.070 2.003 4.413 451 HB VAL 62 HB VAL 62 -5.845 1.812 7.327 452 HG11 VAL 62 1HG1 VAL 62 -5.520 -0.166 5.126 453 HG12 VAL 62 2HG1 VAL 62 -5.052 -0.637 6.762 454 HG13 VAL 62 3HG1 VAL 62 -6.704 -0.113 6.432 455 HG21 VAL 62 3HG2 VAL 62 -3.688 1.941 7.841 456 HG22 VAL 62 1HG2 VAL 62 -3.345 0.585 6.766 457 HG23 VAL 62 2HG2 VAL 62 -3.299 2.236 6.147 458 H SER 63 H SER 63 -7.322 4.151 5.823 459 HA SER 63 HA SER 63 -9.658 2.530 5.469 460 HB2 SER 63 1HB SER 63 -10.903 4.578 5.982 461 HB3 SER 63 2HB SER 63 -9.581 4.357 7.128 462 HG SER 63 HG SER 63 -8.396 5.774 5.527 463 H PHE 64 H PHE 64 -7.627 4.015 3.315 464 HA PHE 64 HA PHE 64 -9.770 4.485 1.354 465 HB2 PHE 64 1HB PHE 64 -6.981 5.572 1.619 466 HB3 PHE 64 2HB PHE 64 -7.820 5.614 0.072 467 HD1 PHE 64 2HD PHE 64 -9.112 6.159 3.517 468 HD2 PHE 64 1HD PHE 64 -8.324 7.836 -0.315 469 HE1 PHE 64 2HE PHE 64 -10.247 8.235 4.195 470 HE2 PHE 64 1HE PHE 64 -9.457 9.914 0.357 471 HZ PHE 64 HZ PHE 64 -10.421 10.116 2.615 472 H VAL 65 H VAL 65 -7.584 2.188 2.279 473 HA VAL 65 HA VAL 65 -7.489 1.050 -0.438 474 HB VAL 65 HB VAL 65 -5.341 0.060 0.013 475 HG11 VAL 65 1HG1 VAL 65 -5.307 2.311 -0.886 476 HG12 VAL 65 2HG1 VAL 65 -5.365 2.987 0.743 477 HG13 VAL 65 3HG1 VAL 65 -3.948 2.080 0.214 478 HG21 VAL 65 3HG2 VAL 65 -4.225 1.011 2.239 479 HG22 VAL 65 1HG2 VAL 65 -5.905 0.968 2.776 480 HG23 VAL 65 2HG2 VAL 65 -5.123 -0.506 2.204 481 H HIS 66 H HIS 66 -7.478 -1.278 -0.545 482 HA HIS 66 HA HIS 66 -8.568 -2.582 1.860 483 HB2 HIS 66 1HB HIS 66 -10.321 -3.530 0.711 484 HB3 HIS 66 2HB HIS 66 -10.176 -2.006 -0.160 485 HD1 HIS 66 1HD HIS 66 -10.749 -5.355 -0.883 486 HD2 HIS 66 2HD HIS 66 -8.115 -2.545 -2.442 487 HE1 HIS 66 1HE HIS 66 -10.116 -6.216 -3.159 488 HE2 HIS 66 2HE HIS 66 -8.456 -4.544 -4.047 489 H ILE 67 H ILE 67 -7.395 -4.259 2.491 490 HA ILE 67 HA ILE 67 -5.142 -5.196 1.119 491 HB ILE 67 HB ILE 67 -6.713 -6.594 3.288 492 HG12 ILE 67 1HG1 ILE 67 -4.223 -4.901 3.539 493 HG13 ILE 67 2HG1 ILE 67 -5.849 -4.283 3.812 494 HG21 ILE 67 1HG2 ILE 67 -3.803 -7.011 2.746 495 HG22 ILE 67 2HG2 ILE 67 -4.948 -8.057 3.584 496 HG23 ILE 67 3HG2 ILE 67 -5.015 -7.905 1.828 497 HD11 ILE 67 3HD1 ILE 67 -5.934 -6.356 5.464 498 HD12 ILE 67 1HD1 ILE 67 -4.194 -6.078 5.476 499 HD13 ILE 67 2HD1 ILE 67 -5.296 -4.784 5.945 500 H LEU 68 H LEU 68 -4.836 -6.713 -0.391 501 HA LEU 68 HA LEU 68 -7.139 -7.977 -1.584 502 HB2 LEU 68 1HB LEU 68 -4.232 -8.295 -2.301 503 HB3 LEU 68 2HB LEU 68 -5.622 -8.726 -3.297 504 HG LEU 68 HG LEU 68 -4.938 -5.902 -2.487 505 HD11 LEU 68 1HD1 LEU 68 -4.383 -5.872 -5.055 506 HD12 LEU 68 2HD1 LEU 68 -4.048 -7.581 -4.778 507 HD13 LEU 68 3HD1 LEU 68 -3.170 -6.351 -3.868 508 HD21 LEU 68 3HD2 LEU 68 -6.624 -5.211 -3.917 509 HD22 LEU 68 1HD2 LEU 68 -7.329 -6.638 -3.155 510 HD23 LEU 68 2HD2 LEU 68 -6.661 -6.748 -4.784 511 H SER 69 H SER 69 -7.299 -10.261 -1.990 512 HA SER 69 HA SER 69 -6.836 -11.829 0.315 513 HB2 SER 69 1HB SER 69 -7.723 -12.533 -2.484 514 HB3 SER 69 2HB SER 69 -7.574 -13.739 -1.206 515 HG SER 69 HG SER 69 -9.388 -13.061 -0.408 516 H ASP 70 H ASP 70 -5.272 -13.260 0.833 517 HA ASP 70 HA ASP 70 -2.736 -13.065 -0.339 518 HB2 ASP 70 1HB ASP 70 -2.249 -15.159 1.030 519 HB3 ASP 70 2HB ASP 70 -2.833 -13.757 1.923 520 H SER 71 H SER 71 -5.104 -15.723 -0.506 521 HA SER 71 HA SER 71 -5.065 -17.629 -1.819 522 HB2 SER 71 1HB SER 71 -5.398 -17.024 -4.213 523 HB3 SER 71 2HB SER 71 -6.380 -16.052 -3.117 524 HG SER 71 HG SER 71 -4.825 -14.391 -3.318 525 H GLY 72 H GLY 72 -2.450 -17.059 -0.870 526 HA2 GLY 72 1HA GLY 72 -0.915 -18.315 -3.026 527 HA3 GLY 72 2HA GLY 72 -0.286 -16.827 -2.334 528 HA PRO 73 HA PRO 73 -0.125 -20.339 1.034 529 HB2 PRO 73 1HB PRO 73 -0.064 -22.854 0.012 530 HB3 PRO 73 2HB PRO 73 -1.562 -22.046 0.489 531 HG2 PRO 73 1HG PRO 73 -0.365 -22.362 -2.237 532 HG3 PRO 73 2HG PRO 73 -2.055 -22.537 -1.730 533 HD2 PRO 73 1HD PRO 73 -1.122 -20.303 -2.941 534 HD3 PRO 73 2HD PRO 73 -2.425 -20.263 -1.735 535 H SER 74 H SER 74 1.944 -20.042 1.589 536 HA SER 74 HA SER 74 4.062 -20.822 -0.281 537 HB2 SER 74 1HB SER 74 5.552 -19.514 1.229 538 HB3 SER 74 2HB SER 74 4.234 -18.551 0.564 539 HG SER 74 HG SER 74 3.901 -18.081 2.590 540 H SER 75 H SER 75 6.110 -21.655 0.876 541 HA SER 75 HA SER 75 5.737 -24.199 1.776 542 HB2 SER 75 1HB SER 75 7.988 -22.353 2.612 543 HB3 SER 75 2HB SER 75 8.022 -24.115 2.673 544 HG SER 75 HG SER 75 8.035 -24.199 0.482 545 H GLY 76 H GLY 76 5.964 -25.214 3.867 546 HA2 GLY 76 1HA GLY 76 4.504 -23.736 5.909 547 HA3 GLY 76 2HA GLY 76 4.844 -25.460 5.913 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.508 -6.367 -7.907 2 HA2 GLY 1 1HA GLY 1 10.997 -9.157 -7.124 3 HA3 GLY 1 2HA GLY 1 11.562 -7.737 -6.258 4 H SER 2 H SER 2 10.646 -7.683 -4.321 5 HA SER 2 HA SER 2 9.081 -7.682 -2.671 6 HB2 SER 2 1HB SER 2 7.982 -6.102 -4.386 7 HB3 SER 2 2HB SER 2 6.942 -7.470 -4.783 8 HG SER 2 HG SER 2 7.148 -6.037 -2.366 9 H SER 3 H SER 3 9.962 -10.160 -3.548 10 HA SER 3 HA SER 3 7.565 -11.803 -3.085 11 HB2 SER 3 1HB SER 3 9.728 -12.196 -5.138 12 HB3 SER 3 2HB SER 3 8.800 -13.565 -4.528 13 HG SER 3 HG SER 3 7.594 -12.923 -6.186 14 H GLY 4 H GLY 4 7.836 -12.473 -1.044 15 HA2 GLY 4 1HA GLY 4 9.753 -14.392 -0.363 16 HA3 GLY 4 2HA GLY 4 10.326 -12.840 0.231 17 H SER 5 H SER 5 8.762 -15.538 1.146 18 HA SER 5 HA SER 5 6.862 -14.202 2.927 19 HB2 SER 5 1HB SER 5 6.161 -16.217 1.592 20 HB3 SER 5 2HB SER 5 7.290 -17.173 2.552 21 HG SER 5 HG SER 5 5.877 -17.211 4.096 22 H SER 6 H SER 6 9.455 -16.639 3.120 23 HA SER 6 HA SER 6 9.608 -16.776 5.901 24 HB2 SER 6 1HB SER 6 11.727 -17.849 5.602 25 HB3 SER 6 2HB SER 6 10.722 -18.320 4.233 26 HG SER 6 HG SER 6 11.780 -16.645 3.032 27 H GLY 7 H GLY 7 10.551 -15.563 7.447 28 HA2 GLY 7 1HA GLY 7 12.247 -14.043 8.215 29 HA3 GLY 7 2HA GLY 7 12.285 -13.337 6.605 30 H ASN 8 H ASN 8 10.723 -11.825 6.008 31 HA ASN 8 HA ASN 8 9.202 -10.713 8.272 32 HB2 ASN 8 1HB ASN 8 9.344 -8.549 7.152 33 HB3 ASN 8 2HB ASN 8 10.956 -9.226 7.370 34 HD21 ASN 8 1HD2 ASN 8 12.192 -9.662 5.625 35 HD22 ASN 8 2HD2 ASN 8 11.715 -9.342 3.996 36 H LYS 9 H LYS 9 7.090 -9.924 7.908 37 HA LYS 9 HA LYS 9 5.648 -11.416 5.879 38 HB2 LYS 9 1HB LYS 9 4.908 -9.882 8.330 39 HB3 LYS 9 2HB LYS 9 3.681 -10.117 7.091 40 HG2 LYS 9 1HG LYS 9 3.375 -11.879 8.595 41 HG3 LYS 9 2HG LYS 9 4.235 -12.593 7.229 42 HD2 LYS 9 1HD LYS 9 6.367 -12.097 8.575 43 HD3 LYS 9 2HD LYS 9 5.283 -11.885 9.952 44 HE2 LYS 9 1HE LYS 9 4.500 -14.126 9.779 45 HE3 LYS 9 2HE LYS 9 5.297 -14.350 8.222 46 HZ1 LYS 9 3HZ LYS 9 7.373 -14.467 9.210 47 HZ2 LYS 9 1HZ LYS 9 6.398 -15.308 10.309 48 HZ3 LYS 9 2HZ LYS 9 6.865 -13.716 10.639 49 H VAL 10 H VAL 10 4.322 -10.511 4.293 50 HA VAL 10 HA VAL 10 4.956 -7.712 3.629 51 HB VAL 10 HB VAL 10 4.606 -8.229 1.315 52 HG11 VAL 10 1HG1 VAL 10 6.413 -9.996 2.878 53 HG12 VAL 10 2HG1 VAL 10 6.227 -10.313 1.152 54 HG13 VAL 10 3HG1 VAL 10 6.797 -8.737 1.704 55 HG21 VAL 10 3HG2 VAL 10 3.560 -10.837 2.362 56 HG22 VAL 10 1HG2 VAL 10 2.799 -9.700 1.250 57 HG23 VAL 10 2HG2 VAL 10 4.154 -10.690 0.709 58 H ARG 11 H ARG 11 3.287 -6.419 2.661 59 HA ARG 11 HA ARG 11 0.547 -7.361 3.141 60 HB2 ARG 11 1HB ARG 11 1.921 -5.040 4.376 61 HB3 ARG 11 2HB ARG 11 0.267 -4.780 3.837 62 HG2 ARG 11 1HG ARG 11 0.828 -7.192 5.469 63 HG3 ARG 11 2HG ARG 11 0.832 -5.621 6.274 64 HD2 ARG 11 1HD ARG 11 -1.418 -5.198 5.257 65 HD3 ARG 11 2HD ARG 11 -1.412 -6.872 4.701 66 HE ARG 11 HE ARG 11 -2.010 -7.496 6.807 67 HH11 ARG 11 1HH1 ARG 11 -0.486 -4.371 6.978 68 HH12 ARG 11 2HH1 ARG 11 -0.773 -4.179 8.676 69 HH21 ARG 11 1HH2 ARG 11 -2.394 -7.255 9.042 70 HH22 ARG 11 2HH2 ARG 11 -1.857 -5.821 9.849 71 H ARG 12 H ARG 12 -0.377 -7.340 1.200 72 HA ARG 12 HA ARG 12 0.288 -5.175 -0.671 73 HB2 ARG 12 1HB ARG 12 0.409 -7.770 -1.192 74 HB3 ARG 12 2HB ARG 12 -1.310 -7.558 -1.494 75 HG2 ARG 12 1HG ARG 12 -0.668 -5.681 -3.063 76 HG3 ARG 12 2HG ARG 12 0.995 -6.251 -2.904 77 HD2 ARG 12 1HD ARG 12 0.386 -8.414 -3.776 78 HD3 ARG 12 2HD ARG 12 -1.319 -7.964 -3.797 79 HE ARG 12 HE ARG 12 0.146 -6.146 -5.366 80 HH11 ARG 12 1HH1 ARG 12 -0.927 -9.458 -5.371 81 HH12 ARG 12 2HH1 ARG 12 -0.982 -9.574 -7.099 82 HH21 ARG 12 1HH2 ARG 12 0.077 -6.286 -7.641 83 HH22 ARG 12 2HH2 ARG 12 -0.411 -7.769 -8.390 84 H VAL 13 H VAL 13 -1.155 -3.641 -1.104 85 HA VAL 13 HA VAL 13 -3.999 -4.175 -0.572 86 HB VAL 13 HB VAL 13 -4.307 -1.988 0.400 87 HG11 VAL 13 1HG1 VAL 13 -1.996 -2.719 2.023 88 HG12 VAL 13 2HG1 VAL 13 -3.709 -2.678 2.442 89 HG13 VAL 13 3HG1 VAL 13 -3.033 -4.087 1.625 90 HG21 VAL 13 3HG2 VAL 13 -1.945 -0.852 0.995 91 HG22 VAL 13 1HG2 VAL 13 -1.545 -1.582 -0.559 92 HG23 VAL 13 2HG2 VAL 13 -2.885 -0.442 -0.439 93 H LYS 14 H LYS 14 -5.425 -2.487 -1.593 94 HA LYS 14 HA LYS 14 -4.252 -1.369 -4.044 95 HB2 LYS 14 1HB LYS 14 -5.379 -3.578 -4.491 96 HB3 LYS 14 2HB LYS 14 -6.892 -2.837 -3.984 97 HG2 LYS 14 1HG LYS 14 -6.308 -1.063 -5.799 98 HG3 LYS 14 2HG LYS 14 -5.262 -2.336 -6.430 99 HD2 LYS 14 1HD LYS 14 -7.384 -3.824 -6.199 100 HD3 LYS 14 2HD LYS 14 -8.244 -2.282 -6.169 101 HE2 LYS 14 1HE LYS 14 -7.272 -1.675 -8.312 102 HE3 LYS 14 2HE LYS 14 -6.334 -3.169 -8.331 103 HZ1 LYS 14 3HZ LYS 14 -8.460 -4.396 -8.320 104 HZ2 LYS 14 1HZ LYS 14 -8.262 -3.434 -9.698 105 HZ3 LYS 14 2HZ LYS 14 -9.290 -2.929 -8.455 106 H THR 15 H THR 15 -4.936 0.634 -4.537 107 HA THR 15 HA THR 15 -6.495 2.087 -2.655 108 HB THR 15 HB THR 15 -6.318 3.965 -4.290 109 HG1 THR 15 1HG THR 15 -6.203 3.064 -6.270 110 HG21 THR 15 3HG2 THR 15 -4.562 3.984 -2.783 111 HG22 THR 15 1HG2 THR 15 -3.706 3.892 -4.321 112 HG23 THR 15 2HG2 THR 15 -3.925 2.439 -3.345 113 H ILE 16 H ILE 16 -8.580 1.382 -2.500 114 HA ILE 16 HA ILE 16 -10.199 0.828 -4.799 115 HB ILE 16 HB ILE 16 -12.077 0.856 -3.039 116 HG12 ILE 16 1HG1 ILE 16 -9.733 0.732 -1.140 117 HG13 ILE 16 2HG1 ILE 16 -10.650 2.208 -1.423 118 HG21 ILE 16 1HG2 ILE 16 -11.743 -1.369 -2.717 119 HG22 ILE 16 2HG2 ILE 16 -10.530 -1.097 -3.967 120 HG23 ILE 16 3HG2 ILE 16 -10.049 -1.163 -2.273 121 HD11 ILE 16 3HD1 ILE 16 -12.683 1.061 -0.658 122 HD12 ILE 16 1HD1 ILE 16 -11.720 -0.377 -0.317 123 HD13 ILE 16 2HD1 ILE 16 -11.424 1.114 0.577 124 H TYR 17 H TYR 17 -9.291 3.657 -3.178 125 HA TYR 17 HA TYR 17 -11.381 5.158 -4.595 126 HB2 TYR 17 1HB TYR 17 -10.427 5.805 -1.800 127 HB3 TYR 17 2HB TYR 17 -11.665 6.662 -2.713 128 HD1 TYR 17 1HD TYR 17 -13.413 4.671 -3.745 129 HD2 TYR 17 2HD TYR 17 -11.375 4.703 -0.011 130 HE1 TYR 17 1HE TYR 17 -15.139 3.196 -2.797 131 HE2 TYR 17 2HE TYR 17 -13.094 3.229 0.947 132 HH TYR 17 HH TYR 17 -14.862 1.394 -0.326 133 H ASP 18 H ASP 18 -10.796 7.268 -5.247 134 HA ASP 18 HA ASP 18 -8.030 7.538 -5.925 135 HB2 ASP 18 1HB ASP 18 -10.037 9.749 -6.237 136 HB3 ASP 18 2HB ASP 18 -8.679 9.328 -7.277 137 H CYS 19 H CYS 19 -6.569 9.120 -5.261 138 HA CYS 19 HA CYS 19 -7.308 10.916 -3.101 139 HB2 CYS 19 1HB CYS 19 -6.604 8.646 -2.123 140 HB3 CYS 19 2HB CYS 19 -4.983 9.050 -2.675 141 HG CYS 19 HG CYS 19 -4.505 11.050 -0.966 142 H GLN 20 H GLN 20 -6.043 12.724 -2.998 143 HA GLN 20 HA GLN 20 -3.770 12.850 -4.870 144 HB2 GLN 20 1HB GLN 20 -5.878 14.085 -5.582 145 HB3 GLN 20 2HB GLN 20 -5.587 15.170 -4.228 146 HG2 GLN 20 1HG GLN 20 -3.458 14.675 -6.268 147 HG3 GLN 20 2HG GLN 20 -4.755 15.829 -6.575 148 HE21 GLN 20 1HE2 GLN 20 -1.715 15.421 -5.302 149 HE22 GLN 20 2HE2 GLN 20 -1.609 16.874 -4.374 150 H ALA 21 H ALA 21 -2.201 12.526 -3.311 151 HA ALA 21 HA ALA 21 -2.095 13.744 -0.794 152 HB1 ALA 21 3HB ALA 21 0.420 13.294 -1.030 153 HB2 ALA 21 1HB ALA 21 -0.678 11.915 -1.090 154 HB3 ALA 21 2HB ALA 21 0.005 12.566 -2.581 155 H ASP 22 H ASP 22 -1.728 15.771 -0.191 156 HA ASP 22 HA ASP 22 -0.991 17.753 -2.162 157 HB2 ASP 22 1HB ASP 22 -2.728 18.399 -0.660 158 HB3 ASP 22 2HB ASP 22 -1.778 17.927 0.746 159 H ASN 23 H ASN 23 0.381 16.371 0.789 160 HA ASN 23 HA ASN 23 2.811 17.951 0.448 161 HB2 ASN 23 1HB ASN 23 1.650 16.306 2.653 162 HB3 ASN 23 2HB ASN 23 3.396 16.529 2.608 163 HD21 ASN 23 1HD2 ASN 23 0.310 18.145 2.857 164 HD22 ASN 23 2HD2 ASN 23 0.914 19.609 3.548 165 H ASP 24 H ASP 24 4.915 16.727 0.843 166 HA ASP 24 HA ASP 24 5.221 14.789 -1.206 167 HB2 ASP 24 1HB ASP 24 7.025 15.966 0.877 168 HB3 ASP 24 2HB ASP 24 7.557 14.557 -0.036 169 H ASP 25 H ASP 25 5.380 14.571 2.340 170 HA ASP 25 HA ASP 25 6.016 11.929 2.668 171 HB2 ASP 25 1HB ASP 25 4.183 13.730 4.236 172 HB3 ASP 25 2HB ASP 25 4.474 12.066 4.735 173 H GLU 26 H GLU 26 2.768 13.274 2.137 174 HA GLU 26 HA GLU 26 1.441 10.770 2.182 175 HB2 GLU 26 1HB GLU 26 0.703 13.514 1.216 176 HB3 GLU 26 2HB GLU 26 -0.353 12.145 0.897 177 HG2 GLU 26 1HG GLU 26 -0.778 11.796 3.170 178 HG3 GLU 26 2HG GLU 26 0.592 12.789 3.666 179 H LEU 27 H LEU 27 1.253 9.250 0.670 180 HA LEU 27 HA LEU 27 2.609 9.571 -1.851 181 HB2 LEU 27 1HB LEU 27 2.752 7.476 -0.622 182 HB3 LEU 27 2HB LEU 27 1.005 7.275 -0.736 183 HG LEU 27 HG LEU 27 1.300 7.163 -3.241 184 HD11 LEU 27 1HD1 LEU 27 4.138 6.430 -2.799 185 HD12 LEU 27 2HD1 LEU 27 3.735 8.144 -2.880 186 HD13 LEU 27 3HD1 LEU 27 3.343 7.082 -4.231 187 HD21 LEU 27 3HD2 LEU 27 2.848 4.950 -1.977 188 HD22 LEU 27 1HD2 LEU 27 1.556 4.883 -3.177 189 HD23 LEU 27 2HD2 LEU 27 1.174 5.218 -1.487 190 H THR 28 H THR 28 1.736 9.803 -3.844 191 HA THR 28 HA THR 28 -1.110 10.449 -3.962 192 HB THR 28 HB THR 28 1.039 10.836 -6.056 193 HG1 THR 28 1HG THR 28 -0.205 12.900 -4.585 194 HG21 THR 28 3HG2 THR 28 -1.582 10.682 -6.574 195 HG22 THR 28 1HG2 THR 28 -0.508 11.791 -7.425 196 HG23 THR 28 2HG2 THR 28 -1.495 12.373 -6.083 197 H PHE 29 H PHE 29 -2.561 9.080 -4.752 198 HA PHE 29 HA PHE 29 -1.803 7.181 -6.830 199 HB2 PHE 29 1HB PHE 29 -2.893 5.304 -5.608 200 HB3 PHE 29 2HB PHE 29 -1.434 5.892 -4.817 201 HD1 PHE 29 2HD PHE 29 -5.105 5.808 -4.668 202 HD2 PHE 29 1HD PHE 29 -1.515 6.898 -2.661 203 HE1 PHE 29 2HE PHE 29 -6.372 6.128 -2.584 204 HE2 PHE 29 1HE PHE 29 -2.775 7.220 -0.572 205 HZ PHE 29 HZ PHE 29 -5.207 6.836 -0.532 206 H ILE 30 H ILE 30 -3.834 5.915 -7.541 207 HA ILE 30 HA ILE 30 -6.240 7.583 -7.311 208 HB ILE 30 HB ILE 30 -6.671 7.319 -9.728 209 HG12 ILE 30 1HG1 ILE 30 -3.813 6.580 -10.176 210 HG13 ILE 30 2HG1 ILE 30 -4.948 5.304 -9.753 211 HG21 ILE 30 1HG2 ILE 30 -4.018 8.645 -9.197 212 HG22 ILE 30 2HG2 ILE 30 -5.171 9.040 -10.471 213 HG23 ILE 30 3HG2 ILE 30 -5.584 9.344 -8.782 214 HD11 ILE 30 3HD1 ILE 30 -6.172 5.579 -11.702 215 HD12 ILE 30 1HD1 ILE 30 -5.535 7.198 -11.989 216 HD13 ILE 30 2HD1 ILE 30 -4.502 5.788 -12.229 217 H GLU 31 H GLU 31 -8.220 6.486 -7.905 218 HA GLU 31 HA GLU 31 -8.528 3.990 -6.765 219 HB2 GLU 31 1HB GLU 31 -10.395 5.521 -7.201 220 HB3 GLU 31 2HB GLU 31 -10.226 5.246 -8.929 221 HG2 GLU 31 1HG GLU 31 -10.575 2.742 -8.253 222 HG3 GLU 31 2HG GLU 31 -11.314 3.453 -6.819 223 H GLY 32 H GLY 32 -7.913 2.022 -7.354 224 HA2 GLY 32 1HA GLY 32 -7.873 0.191 -8.870 225 HA3 GLY 32 2HA GLY 32 -7.867 1.332 -10.206 226 H GLU 33 H GLU 33 -5.788 1.113 -7.331 227 HA GLU 33 HA GLU 33 -3.513 0.495 -9.071 228 HB2 GLU 33 1HB GLU 33 -3.625 2.777 -7.093 229 HB3 GLU 33 2HB GLU 33 -2.143 2.189 -7.834 230 HG2 GLU 33 1HG GLU 33 -4.424 3.035 -9.558 231 HG3 GLU 33 2HG GLU 33 -3.375 4.247 -8.827 232 H VAL 34 H VAL 34 -1.636 -0.307 -7.904 233 HA VAL 34 HA VAL 34 -2.401 -1.602 -5.369 234 HB VAL 34 HB VAL 34 -0.367 -2.568 -7.385 235 HG11 VAL 34 1HG1 VAL 34 -0.958 -3.296 -4.647 236 HG12 VAL 34 2HG1 VAL 34 -1.156 -4.665 -5.743 237 HG13 VAL 34 3HG1 VAL 34 0.378 -3.796 -5.683 238 HG21 VAL 34 3HG2 VAL 34 -3.270 -3.029 -7.100 239 HG22 VAL 34 1HG2 VAL 34 -2.241 -3.107 -8.530 240 HG23 VAL 34 2HG2 VAL 34 -2.279 -4.457 -7.398 241 H ILE 35 H ILE 35 -1.004 -1.558 -3.647 242 HA ILE 35 HA ILE 35 1.520 -0.089 -3.984 243 HB ILE 35 HB ILE 35 -0.415 0.365 -1.710 244 HG12 ILE 35 1HG1 ILE 35 0.327 2.203 -3.998 245 HG13 ILE 35 2HG1 ILE 35 -1.193 1.323 -3.865 246 HG21 ILE 35 1HG2 ILE 35 2.282 1.518 -2.372 247 HG22 ILE 35 2HG2 ILE 35 1.164 2.284 -1.245 248 HG23 ILE 35 3HG2 ILE 35 1.787 0.669 -0.907 249 HD11 ILE 35 3HD1 ILE 35 -1.173 2.615 -1.503 250 HD12 ILE 35 1HD1 ILE 35 -0.294 3.766 -2.510 251 HD13 ILE 35 2HD1 ILE 35 -1.915 3.247 -2.973 252 H ILE 36 H ILE 36 3.220 -0.906 -2.893 253 HA ILE 36 HA ILE 36 2.792 -3.381 -1.415 254 HB ILE 36 HB ILE 36 5.337 -2.063 -2.365 255 HG12 ILE 36 1HG1 ILE 36 3.854 -3.016 -4.128 256 HG13 ILE 36 2HG1 ILE 36 5.410 -3.832 -4.014 257 HG21 ILE 36 1HG2 ILE 36 4.934 -4.730 -1.017 258 HG22 ILE 36 2HG2 ILE 36 6.445 -4.156 -1.720 259 HG23 ILE 36 3HG2 ILE 36 5.749 -3.324 -0.331 260 HD11 ILE 36 3HD1 ILE 36 4.342 -5.623 -2.712 261 HD12 ILE 36 1HD1 ILE 36 2.788 -4.818 -2.920 262 HD13 ILE 36 2HD1 ILE 36 3.652 -5.443 -4.325 263 H VAL 37 H VAL 37 2.391 -3.180 0.689 264 HA VAL 37 HA VAL 37 3.250 -0.927 2.232 265 HB VAL 37 HB VAL 37 1.976 -3.534 3.071 266 HG11 VAL 37 1HG1 VAL 37 3.329 -1.633 4.667 267 HG12 VAL 37 2HG1 VAL 37 1.601 -1.443 4.972 268 HG13 VAL 37 3HG1 VAL 37 2.370 -3.016 5.193 269 HG21 VAL 37 3HG2 VAL 37 -0.058 -2.496 2.934 270 HG22 VAL 37 1HG2 VAL 37 0.620 -0.890 3.203 271 HG23 VAL 37 2HG2 VAL 37 0.791 -1.667 1.629 272 H THR 38 H THR 38 5.395 -0.737 2.546 273 HA THR 38 HA THR 38 6.948 -3.092 3.326 274 HB THR 38 HB THR 38 8.926 -1.582 3.067 275 HG1 THR 38 1HG THR 38 8.493 0.482 2.994 276 HG21 THR 38 3HG2 THR 38 7.033 -2.178 0.836 277 HG22 THR 38 1HG2 THR 38 8.618 -2.870 1.178 278 HG23 THR 38 2HG2 THR 38 8.493 -1.248 0.500 279 H GLY 39 H GLY 39 5.533 -0.247 4.644 280 HA2 GLY 39 1HA GLY 39 6.550 -0.977 7.280 281 HA3 GLY 39 2HA GLY 39 6.949 0.635 6.708 282 H GLU 40 H GLU 40 4.884 -0.992 8.621 283 HA GLU 40 HA GLU 40 2.599 0.765 8.048 284 HB2 GLU 40 1HB GLU 40 2.743 -1.744 9.731 285 HB3 GLU 40 2HB GLU 40 1.295 -0.780 9.469 286 HG2 GLU 40 1HG GLU 40 0.991 -2.437 7.931 287 HG3 GLU 40 2HG GLU 40 1.812 -1.224 6.948 288 H GLU 41 H GLU 41 2.599 2.580 9.190 289 HA GLU 41 HA GLU 41 4.096 2.961 11.563 290 HB2 GLU 41 1HB GLU 41 3.127 4.665 9.775 291 HB3 GLU 41 2HB GLU 41 1.795 4.745 10.919 292 HG2 GLU 41 1HG GLU 41 3.547 5.228 12.691 293 HG3 GLU 41 2HG GLU 41 4.669 5.480 11.355 294 H ASP 42 H ASP 42 0.600 2.640 10.987 295 HA ASP 42 HA ASP 42 0.291 1.511 13.654 296 HB2 ASP 42 1HB ASP 42 -1.296 3.916 12.730 297 HB3 ASP 42 2HB ASP 42 -1.577 3.013 14.215 298 H GLN 43 H GLN 43 -2.304 1.160 13.896 299 HA GLN 43 HA GLN 43 -2.924 -0.703 11.795 300 HB2 GLN 43 1HB GLN 43 -4.398 0.101 14.303 301 HB3 GLN 43 2HB GLN 43 -4.988 -1.119 13.181 302 HG2 GLN 43 1HG GLN 43 -2.896 -2.398 13.560 303 HG3 GLN 43 2HG GLN 43 -2.447 -1.216 14.788 304 HE21 GLN 43 1HE2 GLN 43 -2.670 -2.144 16.693 305 HE22 GLN 43 2HE2 GLN 43 -4.036 -3.061 17.222 306 H GLU 44 H GLU 44 -3.139 2.486 11.783 307 HA GLU 44 HA GLU 44 -5.649 2.493 10.240 308 HB2 GLU 44 1HB GLU 44 -4.559 4.647 12.055 309 HB3 GLU 44 2HB GLU 44 -5.890 4.896 10.934 310 HG2 GLU 44 1HG GLU 44 -5.873 2.897 13.183 311 HG3 GLU 44 2HG GLU 44 -6.641 4.483 13.233 312 H TRP 45 H TRP 45 -2.358 3.621 10.553 313 HA TRP 45 HA TRP 45 -2.479 4.565 7.765 314 HB2 TRP 45 1HB TRP 45 -0.961 5.772 10.084 315 HB3 TRP 45 2HB TRP 45 -0.674 6.204 8.401 316 HD1 TRP 45 HD TRP 45 -3.499 6.353 11.037 317 HE1 TRP 45 1HE TRP 45 -5.039 8.328 10.445 318 HE3 TRP 45 3HE TRP 45 -1.350 7.762 6.618 319 HZ2 TRP 45 2HZ TRP 45 -5.309 10.231 8.377 320 HZ3 TRP 45 3HZ TRP 45 -2.309 9.668 5.395 321 HH2 TRP 45 HH TRP 45 -4.248 10.876 6.258 322 H TRP 46 H TRP 46 -1.088 3.620 6.418 323 HA TRP 46 HA TRP 46 1.222 2.199 7.569 324 HB2 TRP 46 1HB TRP 46 -0.562 1.305 5.295 325 HB3 TRP 46 2HB TRP 46 0.937 0.505 5.764 326 HD1 TRP 46 HD TRP 46 0.143 0.974 9.007 327 HE1 TRP 46 1HE TRP 46 -1.482 -0.744 10.022 328 HE3 TRP 46 3HE TRP 46 -1.892 -0.866 4.693 329 HZ2 TRP 46 2HZ TRP 46 -3.376 -2.630 9.115 330 HZ3 TRP 46 3HZ TRP 46 -3.605 -2.627 4.854 331 HH2 TRP 46 HH TRP 46 -4.329 -3.489 7.021 332 H ILE 47 H ILE 47 2.789 1.583 5.663 333 HA ILE 47 HA ILE 47 3.001 3.828 3.782 334 HB ILE 47 HB ILE 47 5.358 2.796 5.359 335 HG12 ILE 47 1HG1 ILE 47 5.095 5.326 6.218 336 HG13 ILE 47 2HG1 ILE 47 3.398 4.957 5.924 337 HG21 ILE 47 1HG2 ILE 47 5.221 4.199 2.967 338 HG22 ILE 47 2HG2 ILE 47 5.585 5.425 4.181 339 HG23 ILE 47 3HG2 ILE 47 6.634 4.018 4.007 340 HD11 ILE 47 3HD1 ILE 47 4.420 4.544 8.262 341 HD12 ILE 47 1HD1 ILE 47 3.331 3.344 7.564 342 HD13 ILE 47 2HD1 ILE 47 5.075 3.082 7.525 343 H GLY 48 H GLY 48 3.741 3.299 1.786 344 HA2 GLY 48 1HA GLY 48 5.189 0.841 1.319 345 HA3 GLY 48 2HA GLY 48 3.539 0.824 0.712 346 H HIS 49 H HIS 49 4.782 0.468 -1.337 347 HA HIS 49 HA HIS 49 5.210 3.062 -2.626 348 HB2 HIS 49 1HB HIS 49 7.187 2.155 -3.832 349 HB3 HIS 49 2HB HIS 49 7.448 2.303 -2.097 350 HD1 HIS 49 1HD HIS 49 6.387 -0.413 -4.548 351 HD2 HIS 49 2HD HIS 49 8.502 0.070 -1.003 352 HE1 HIS 49 1HE HIS 49 7.305 -2.688 -3.997 353 HE2 HIS 49 2HE HIS 49 8.509 -2.389 -1.804 354 H ILE 50 H ILE 50 4.607 3.155 -4.768 355 HA ILE 50 HA ILE 50 2.620 1.397 -5.649 356 HB ILE 50 HB ILE 50 4.290 3.318 -7.274 357 HG12 ILE 50 1HG1 ILE 50 2.935 4.261 -5.362 358 HG13 ILE 50 2HG1 ILE 50 2.525 4.899 -6.950 359 HG21 ILE 50 1HG2 ILE 50 2.254 1.404 -8.043 360 HG22 ILE 50 2HG2 ILE 50 1.817 3.054 -8.483 361 HG23 ILE 50 3HG2 ILE 50 3.338 2.365 -9.048 362 HD11 ILE 50 3HD1 ILE 50 0.757 3.936 -5.104 363 HD12 ILE 50 1HD1 ILE 50 0.437 4.143 -6.826 364 HD13 ILE 50 2HD1 ILE 50 0.945 2.572 -6.206 365 H GLU 51 H GLU 51 2.840 -0.642 -6.268 366 HA GLU 51 HA GLU 51 4.993 -2.161 -6.664 367 HB2 GLU 51 1HB GLU 51 2.676 -2.988 -6.847 368 HB3 GLU 51 2HB GLU 51 2.552 -2.266 -8.446 369 HG2 GLU 51 1HG GLU 51 4.504 -3.729 -9.111 370 HG3 GLU 51 2HG GLU 51 4.262 -4.576 -7.584 371 H GLY 52 H GLY 52 6.573 -2.539 -8.140 372 HA2 GLY 52 1HA GLY 52 7.793 -2.352 -10.102 373 HA3 GLY 52 2HA GLY 52 6.445 -1.479 -10.816 374 H GLN 53 H GLN 53 6.222 0.614 -8.967 375 HA GLN 53 HA GLN 53 8.698 2.084 -9.563 376 HB2 GLN 53 1HB GLN 53 5.825 2.863 -9.409 377 HB3 GLN 53 2HB GLN 53 7.029 4.065 -8.964 378 HG2 GLN 53 1HG GLN 53 6.719 4.496 -11.197 379 HG3 GLN 53 2HG GLN 53 8.129 3.437 -11.221 380 HE21 GLN 53 1HE2 GLN 53 4.589 3.289 -11.355 381 HE22 GLN 53 2HE2 GLN 53 4.514 2.023 -12.527 382 HA PRO 54 HA PRO 54 8.956 1.584 -5.019 383 HB2 PRO 54 1HB PRO 54 11.670 1.633 -4.964 384 HB3 PRO 54 2HB PRO 54 10.743 0.167 -5.301 385 HG2 PRO 54 1HG PRO 54 12.092 2.036 -7.210 386 HG3 PRO 54 2HG PRO 54 12.059 0.263 -7.216 387 HD2 PRO 54 1HD PRO 54 10.471 1.754 -8.823 388 HD3 PRO 54 2HD PRO 54 9.967 0.180 -8.177 389 H GLU 55 H GLU 55 10.563 3.842 -7.198 390 HA GLU 55 HA GLU 55 11.642 5.679 -5.491 391 HB2 GLU 55 1HB GLU 55 11.159 7.390 -7.215 392 HB3 GLU 55 2HB GLU 55 11.840 5.916 -7.888 393 HG2 GLU 55 1HG GLU 55 9.344 5.267 -8.260 394 HG3 GLU 55 2HG GLU 55 9.077 7.005 -8.123 395 H ARG 56 H ARG 56 8.242 5.316 -6.363 396 HA ARG 56 HA ARG 56 7.464 7.573 -4.715 397 HB2 ARG 56 1HB ARG 56 5.693 5.577 -6.135 398 HB3 ARG 56 2HB ARG 56 5.217 7.144 -5.492 399 HG2 ARG 56 1HG ARG 56 6.643 8.257 -7.129 400 HG3 ARG 56 2HG ARG 56 7.134 6.688 -7.769 401 HD2 ARG 56 1HD ARG 56 5.442 7.474 -9.213 402 HD3 ARG 56 2HD ARG 56 4.682 6.246 -8.203 403 HE ARG 56 HE ARG 56 3.326 7.862 -7.314 404 HH11 ARG 56 1HH1 ARG 56 5.986 9.382 -8.970 405 HH12 ARG 56 2HH1 ARG 56 5.332 10.980 -8.826 406 HH21 ARG 56 1HH2 ARG 56 2.457 9.962 -7.117 407 HH22 ARG 56 2HH2 ARG 56 3.326 11.308 -7.771 408 H LYS 57 H LYS 57 7.576 7.239 -2.583 409 HA LYS 57 HA LYS 57 6.032 5.029 -1.460 410 HB2 LYS 57 1HB LYS 57 7.870 4.585 0.196 411 HB3 LYS 57 2HB LYS 57 8.224 4.086 -1.453 412 HG2 LYS 57 1HG LYS 57 9.600 6.043 -1.789 413 HG3 LYS 57 2HG LYS 57 9.181 6.643 -0.182 414 HD2 LYS 57 1HD LYS 57 10.383 4.927 0.888 415 HD3 LYS 57 2HD LYS 57 10.489 3.968 -0.590 416 HE2 LYS 57 1HE LYS 57 12.627 5.019 -0.073 417 HE3 LYS 57 2HE LYS 57 11.961 5.649 -1.579 418 HZ1 LYS 57 3HZ LYS 57 11.377 7.654 -0.559 419 HZ2 LYS 57 1HZ LYS 57 12.921 7.316 0.046 420 HZ3 LYS 57 2HZ LYS 57 11.557 7.032 1.005 421 H GLY 58 H GLY 58 4.661 5.843 -0.025 422 HA2 GLY 58 1HA GLY 58 5.541 7.797 1.921 423 HA3 GLY 58 2HA GLY 58 4.353 8.401 0.775 424 H VAL 59 H VAL 59 3.804 8.377 3.466 425 HA VAL 59 HA VAL 59 2.376 6.023 4.242 426 HB VAL 59 HB VAL 59 3.311 7.456 5.954 427 HG11 VAL 59 1HG1 VAL 59 1.552 9.554 4.721 428 HG12 VAL 59 2HG1 VAL 59 2.163 9.694 6.371 429 HG13 VAL 59 3HG1 VAL 59 3.290 9.607 5.016 430 HG21 VAL 59 3HG2 VAL 59 1.675 6.804 7.309 431 HG22 VAL 59 1HG2 VAL 59 0.624 8.085 6.707 432 HG23 VAL 59 2HG2 VAL 59 0.657 6.517 5.899 433 H PHE 60 H PHE 60 0.225 5.583 4.144 434 HA PHE 60 HA PHE 60 -1.594 7.618 3.091 435 HB2 PHE 60 1HB PHE 60 -2.547 5.931 1.494 436 HB3 PHE 60 2HB PHE 60 -0.920 6.472 1.093 437 HD1 PHE 60 2HD PHE 60 0.997 4.982 1.413 438 HD2 PHE 60 1HD PHE 60 -2.991 3.670 2.113 439 HE1 PHE 60 2HE PHE 60 1.760 2.644 1.357 440 HE2 PHE 60 1HE PHE 60 -2.233 1.330 2.060 441 HZ PHE 60 HZ PHE 60 0.144 0.814 1.679 442 HA PRO 61 HA PRO 61 -4.412 5.975 6.028 443 HB2 PRO 61 1HB PRO 61 -6.782 6.536 4.827 444 HB3 PRO 61 2HB PRO 61 -5.757 7.777 5.557 445 HG2 PRO 61 1HG PRO 61 -6.026 6.991 2.681 446 HG3 PRO 61 2HG PRO 61 -5.929 8.612 3.392 447 HD2 PRO 61 1HD PRO 61 -3.802 7.401 2.234 448 HD3 PRO 61 2HD PRO 61 -3.635 8.521 3.602 449 H VAL 62 H VAL 62 -4.736 3.878 6.392 450 HA VAL 62 HA VAL 62 -4.969 1.908 4.414 451 HB VAL 62 HB VAL 62 -5.849 1.737 7.299 452 HG11 VAL 62 1HG1 VAL 62 -6.760 -0.162 6.403 453 HG12 VAL 62 2HG1 VAL 62 -5.551 -0.270 5.122 454 HG13 VAL 62 3HG1 VAL 62 -5.135 -0.742 6.770 455 HG21 VAL 62 3HG2 VAL 62 -3.643 0.829 7.743 456 HG22 VAL 62 1HG2 VAL 62 -3.205 1.007 6.045 457 HG23 VAL 62 2HG2 VAL 62 -3.503 2.436 7.033 458 H SER 63 H SER 63 -7.260 4.116 5.536 459 HA SER 63 HA SER 63 -9.588 2.467 5.128 460 HB2 SER 63 1HB SER 63 -9.324 5.459 5.506 461 HB3 SER 63 2HB SER 63 -10.847 4.571 5.488 462 HG SER 63 HG SER 63 -9.711 5.055 7.603 463 H PHE 64 H PHE 64 -7.443 4.018 3.098 464 HA PHE 64 HA PHE 64 -9.445 4.546 1.026 465 HB2 PHE 64 1HB PHE 64 -6.630 5.424 1.491 466 HB3 PHE 64 2HB PHE 64 -7.218 5.354 -0.167 467 HD1 PHE 64 2HD PHE 64 -8.780 6.416 3.052 468 HD2 PHE 64 1HD PHE 64 -7.687 7.465 -0.926 469 HE1 PHE 64 2HE PHE 64 -9.845 8.614 3.343 470 HE2 PHE 64 1HE PHE 64 -8.750 9.666 -0.641 471 HZ PHE 64 HZ PHE 64 -9.833 10.242 1.495 472 H VAL 65 H VAL 65 -6.967 2.321 1.923 473 HA VAL 65 HA VAL 65 -7.147 1.012 -0.710 474 HB VAL 65 HB VAL 65 -5.019 0.085 -0.410 475 HG11 VAL 65 1HG1 VAL 65 -3.608 2.076 0.441 476 HG12 VAL 65 2HG1 VAL 65 -4.632 2.304 -0.979 477 HG13 VAL 65 3HG1 VAL 65 -5.158 2.903 0.594 478 HG21 VAL 65 3HG2 VAL 65 -5.116 0.916 2.490 479 HG22 VAL 65 1HG2 VAL 65 -5.371 -0.721 1.883 480 HG23 VAL 65 2HG2 VAL 65 -3.799 0.055 1.692 481 H HIS 66 H HIS 66 -6.906 -1.415 -0.603 482 HA HIS 66 HA HIS 66 -8.136 -2.565 1.799 483 HB2 HIS 66 1HB HIS 66 -9.924 -3.505 0.704 484 HB3 HIS 66 2HB HIS 66 -9.743 -2.028 -0.239 485 HD1 HIS 66 1HD HIS 66 -8.556 -2.294 -2.596 486 HD2 HIS 66 2HD HIS 66 -9.576 -5.844 -0.696 487 HE1 HIS 66 1HE HIS 66 -8.434 -4.066 -4.376 488 HE2 HIS 66 2HE HIS 66 -9.139 -6.192 -3.222 489 H ILE 67 H ILE 67 -6.979 -4.229 2.488 490 HA ILE 67 HA ILE 67 -4.745 -5.260 1.200 491 HB ILE 67 HB ILE 67 -6.427 -6.693 3.258 492 HG12 ILE 67 1HG1 ILE 67 -4.091 -4.809 3.647 493 HG13 ILE 67 2HG1 ILE 67 -5.777 -4.415 3.970 494 HG21 ILE 67 1HG2 ILE 67 -4.631 -8.090 3.658 495 HG22 ILE 67 2HG2 ILE 67 -4.568 -7.901 1.907 496 HG23 ILE 67 3HG2 ILE 67 -3.470 -6.978 2.933 497 HD11 ILE 67 3HD1 ILE 67 -4.660 -6.797 5.319 498 HD12 ILE 67 1HD1 ILE 67 -4.107 -5.214 5.863 499 HD13 ILE 67 2HD1 ILE 67 -5.826 -5.606 5.893 500 H LEU 68 H LEU 68 -4.600 -6.437 -0.582 501 HA LEU 68 HA LEU 68 -6.850 -7.803 -1.700 502 HB2 LEU 68 1HB LEU 68 -3.945 -7.872 -2.504 503 HB3 LEU 68 2HB LEU 68 -5.294 -8.480 -3.462 504 HG LEU 68 HG LEU 68 -5.215 -5.600 -2.659 505 HD11 LEU 68 1HD1 LEU 68 -3.172 -5.515 -3.642 506 HD12 LEU 68 2HD1 LEU 68 -4.167 -5.437 -5.095 507 HD13 LEU 68 3HD1 LEU 68 -3.446 -6.968 -4.602 508 HD21 LEU 68 3HD2 LEU 68 -7.160 -6.886 -3.815 509 HD22 LEU 68 1HD2 LEU 68 -6.155 -6.736 -5.257 510 HD23 LEU 68 2HD2 LEU 68 -6.694 -5.289 -4.403 511 H SER 69 H SER 69 -7.145 -10.016 -1.998 512 HA SER 69 HA SER 69 -5.365 -11.802 -0.493 513 HB2 SER 69 1HB SER 69 -7.152 -12.871 0.635 514 HB3 SER 69 2HB SER 69 -7.470 -11.146 0.810 515 HG SER 69 HG SER 69 -8.805 -11.473 -1.178 516 H ASP 70 H ASP 70 -5.198 -13.894 -1.282 517 HA ASP 70 HA ASP 70 -6.160 -14.234 -4.026 518 HB2 ASP 70 1HB ASP 70 -3.685 -14.528 -3.218 519 HB3 ASP 70 2HB ASP 70 -4.244 -16.113 -2.690 520 H SER 71 H SER 71 -7.227 -16.107 -4.714 521 HA SER 71 HA SER 71 -8.768 -17.416 -2.608 522 HB2 SER 71 1HB SER 71 -10.036 -16.452 -4.455 523 HB3 SER 71 2HB SER 71 -9.119 -17.414 -5.615 524 HG SER 71 HG SER 71 -9.968 -19.257 -4.238 525 H GLY 72 H GLY 72 -6.584 -18.184 -5.274 526 HA2 GLY 72 1HA GLY 72 -6.162 -20.827 -4.053 527 HA3 GLY 72 2HA GLY 72 -6.528 -20.725 -5.770 528 HA PRO 73 HA PRO 73 -2.136 -18.781 -4.985 529 HB2 PRO 73 1HB PRO 73 -0.932 -19.619 -2.701 530 HB3 PRO 73 2HB PRO 73 -1.912 -18.150 -2.786 531 HG2 PRO 73 1HG PRO 73 -2.663 -20.872 -1.793 532 HG3 PRO 73 2HG PRO 73 -3.031 -19.285 -1.093 533 HD2 PRO 73 1HD PRO 73 -4.830 -20.686 -2.553 534 HD3 PRO 73 2HD PRO 73 -4.782 -18.912 -2.544 535 H SER 74 H SER 74 -1.672 -20.206 -6.675 536 HA SER 74 HA SER 74 -1.050 -22.968 -6.175 537 HB2 SER 74 1HB SER 74 -2.006 -21.907 -8.343 538 HB3 SER 74 2HB SER 74 -0.327 -21.500 -8.699 539 HG SER 74 HG SER 74 -0.054 -23.905 -8.134 540 H SER 75 H SER 75 0.862 -23.830 -5.689 541 HA SER 75 HA SER 75 3.338 -22.520 -6.411 542 HB2 SER 75 1HB SER 75 2.597 -21.484 -4.213 543 HB3 SER 75 2HB SER 75 2.821 -23.074 -3.486 544 HG SER 75 HG SER 75 4.694 -21.230 -4.327 545 H GLY 76 H GLY 76 5.242 -23.855 -5.412 546 HA2 GLY 76 1HA GLY 76 5.288 -26.346 -4.483 547 HA3 GLY 76 2HA GLY 76 4.690 -26.630 -6.111 Start of MODEL 7 1 H1 GLY 1 H GLY 1 10.831 -18.074 -7.231 2 HA2 GLY 1 1HA GLY 1 10.673 -15.741 -8.899 3 HA3 GLY 1 2HA GLY 1 10.818 -15.342 -7.194 4 H SER 2 H SER 2 12.837 -14.687 -6.859 5 HA SER 2 HA SER 2 15.051 -15.733 -8.365 6 HB2 SER 2 1HB SER 2 14.696 -13.641 -6.261 7 HB3 SER 2 2HB SER 2 16.314 -14.281 -6.546 8 HG SER 2 HG SER 2 15.526 -12.372 -7.830 9 H SER 3 H SER 3 15.671 -17.760 -7.939 10 HA SER 3 HA SER 3 16.109 -19.685 -6.757 11 HB2 SER 3 1HB SER 3 17.935 -19.308 -5.057 12 HB3 SER 3 2HB SER 3 18.250 -18.604 -6.643 13 HG SER 3 HG SER 3 18.209 -16.680 -5.789 14 H GLY 4 H GLY 4 13.644 -18.672 -5.967 15 HA2 GLY 4 1HA GLY 4 12.107 -19.247 -4.329 16 HA3 GLY 4 2HA GLY 4 13.432 -19.849 -3.345 17 H SER 5 H SER 5 11.772 -18.696 -1.820 18 HA SER 5 HA SER 5 12.971 -16.113 -1.178 19 HB2 SER 5 1HB SER 5 10.844 -15.778 -2.566 20 HB3 SER 5 2HB SER 5 9.968 -16.409 -1.172 21 HG SER 5 HG SER 5 10.117 -14.123 -1.139 22 H SER 6 H SER 6 13.000 -15.637 0.995 23 HA SER 6 HA SER 6 11.579 -17.388 2.846 24 HB2 SER 6 1HB SER 6 13.665 -18.571 2.569 25 HB3 SER 6 2HB SER 6 14.590 -17.087 2.793 26 HG SER 6 HG SER 6 13.978 -18.765 4.643 27 H GLY 7 H GLY 7 11.075 -16.432 4.773 28 HA2 GLY 7 1HA GLY 7 11.906 -14.692 6.428 29 HA3 GLY 7 2HA GLY 7 11.898 -13.610 5.043 30 H ASN 8 H ASN 8 10.481 -12.393 6.593 31 HA ASN 8 HA ASN 8 7.853 -13.373 7.121 32 HB2 ASN 8 1HB ASN 8 7.415 -10.942 7.733 33 HB3 ASN 8 2HB ASN 8 8.698 -11.746 8.634 34 HD21 ASN 8 1HD2 ASN 8 9.611 -9.741 9.146 35 HD22 ASN 8 2HD2 ASN 8 10.515 -8.836 7.984 36 H LYS 9 H LYS 9 5.929 -12.907 6.112 37 HA LYS 9 HA LYS 9 6.114 -12.205 3.316 38 HB2 LYS 9 1HB LYS 9 3.982 -13.281 5.112 39 HB3 LYS 9 2HB LYS 9 3.507 -12.530 3.594 40 HG2 LYS 9 1HG LYS 9 5.550 -14.725 3.731 41 HG3 LYS 9 2HG LYS 9 3.820 -15.042 3.585 42 HD2 LYS 9 1HD LYS 9 3.706 -13.927 1.491 43 HD3 LYS 9 2HD LYS 9 5.330 -13.262 1.683 44 HE2 LYS 9 1HE LYS 9 5.765 -15.008 0.267 45 HE3 LYS 9 2HE LYS 9 5.998 -15.801 1.824 46 HZ1 LYS 9 3HZ LYS 9 3.827 -16.747 1.689 47 HZ2 LYS 9 1HZ LYS 9 4.624 -17.081 0.234 48 HZ3 LYS 9 2HZ LYS 9 3.455 -15.862 0.296 49 H VAL 10 H VAL 10 5.469 -10.353 2.361 50 HA VAL 10 HA VAL 10 4.982 -8.065 4.043 51 HB VAL 10 HB VAL 10 5.079 -6.747 2.021 52 HG11 VAL 10 1HG1 VAL 10 7.304 -6.930 1.857 53 HG12 VAL 10 2HG1 VAL 10 7.142 -8.242 3.026 54 HG13 VAL 10 3HG1 VAL 10 7.217 -8.600 1.301 55 HG21 VAL 10 3HG2 VAL 10 5.086 -9.375 0.539 56 HG22 VAL 10 1HG2 VAL 10 3.774 -8.196 0.562 57 HG23 VAL 10 2HG2 VAL 10 5.316 -7.785 -0.187 58 H ARG 11 H ARG 11 3.258 -6.447 3.153 59 HA ARG 11 HA ARG 11 0.729 -7.937 2.893 60 HB2 ARG 11 1HB ARG 11 1.067 -6.641 5.016 61 HB3 ARG 11 2HB ARG 11 1.108 -5.172 4.050 62 HG2 ARG 11 1HG ARG 11 -1.180 -5.734 3.231 63 HG3 ARG 11 2HG ARG 11 -1.203 -7.067 4.388 64 HD2 ARG 11 1HD ARG 11 -0.515 -5.127 6.060 65 HD3 ARG 11 2HD ARG 11 -1.331 -4.135 4.852 66 HE ARG 11 HE ARG 11 -3.316 -4.935 5.631 67 HH11 ARG 11 1HH1 ARG 11 -0.796 -7.159 6.539 68 HH12 ARG 11 2HH1 ARG 11 -1.846 -8.172 7.473 69 HH21 ARG 11 1HH2 ARG 11 -4.709 -6.261 6.857 70 HH22 ARG 11 2HH2 ARG 11 -4.072 -7.660 7.653 71 H ARG 12 H ARG 12 -0.512 -7.577 1.163 72 HA ARG 12 HA ARG 12 0.251 -5.376 -0.636 73 HB2 ARG 12 1HB ARG 12 0.285 -7.944 -1.292 74 HB3 ARG 12 2HB ARG 12 -1.429 -7.659 -1.564 75 HG2 ARG 12 1HG ARG 12 -0.835 -5.811 -3.099 76 HG3 ARG 12 2HG ARG 12 0.866 -6.227 -2.883 77 HD2 ARG 12 1HD ARG 12 -1.071 -8.336 -3.726 78 HD3 ARG 12 2HD ARG 12 -0.485 -7.171 -4.914 79 HE ARG 12 HE ARG 12 1.602 -8.150 -4.819 80 HH11 ARG 12 1HH1 ARG 12 -0.441 -9.431 -2.308 81 HH12 ARG 12 2HH1 ARG 12 0.640 -10.723 -1.907 82 HH21 ARG 12 1HH2 ARG 12 3.035 -9.847 -4.299 83 HH22 ARG 12 2HH2 ARG 12 2.618 -10.958 -3.040 84 H VAL 13 H VAL 13 -1.216 -3.878 -1.230 85 HA VAL 13 HA VAL 13 -4.040 -4.320 -0.579 86 HB VAL 13 HB VAL 13 -4.214 -2.014 0.324 87 HG11 VAL 13 1HG1 VAL 13 -2.257 -3.102 2.179 88 HG12 VAL 13 2HG1 VAL 13 -3.993 -2.852 2.381 89 HG13 VAL 13 3HG1 VAL 13 -3.397 -4.317 1.601 90 HG21 VAL 13 3HG2 VAL 13 -2.163 -0.868 1.049 91 HG22 VAL 13 1HG2 VAL 13 -1.200 -2.111 0.251 92 HG23 VAL 13 2HG2 VAL 13 -2.234 -1.049 -0.704 93 H LYS 14 H LYS 14 -5.314 -2.262 -1.400 94 HA LYS 14 HA LYS 14 -4.191 -1.179 -3.856 95 HB2 LYS 14 1HB LYS 14 -5.208 -3.303 -4.560 96 HB3 LYS 14 2HB LYS 14 -6.735 -2.815 -3.837 97 HG2 LYS 14 1HG LYS 14 -6.652 -0.817 -5.418 98 HG3 LYS 14 2HG LYS 14 -5.372 -1.693 -6.260 99 HD2 LYS 14 1HD LYS 14 -7.907 -3.130 -5.653 100 HD3 LYS 14 2HD LYS 14 -7.908 -1.943 -6.959 101 HE2 LYS 14 1HE LYS 14 -6.451 -3.162 -8.249 102 HE3 LYS 14 2HE LYS 14 -5.722 -3.963 -6.859 103 HZ1 LYS 14 3HZ LYS 14 -7.020 -5.687 -7.290 104 HZ2 LYS 14 1HZ LYS 14 -7.837 -4.850 -8.511 105 HZ3 LYS 14 2HZ LYS 14 -8.373 -4.748 -6.911 106 H THR 15 H THR 15 -5.021 0.786 -4.400 107 HA THR 15 HA THR 15 -6.572 2.152 -2.422 108 HB THR 15 HB THR 15 -6.399 4.107 -3.919 109 HG1 THR 15 1HG THR 15 -6.453 3.174 -5.945 110 HG21 THR 15 3HG2 THR 15 -3.797 4.027 -4.096 111 HG22 THR 15 1HG2 THR 15 -3.970 2.503 -3.226 112 HG23 THR 15 2HG2 THR 15 -4.565 4.001 -2.509 113 H ILE 16 H ILE 16 -8.642 1.401 -2.298 114 HA ILE 16 HA ILE 16 -10.243 0.882 -4.614 115 HB ILE 16 HB ILE 16 -12.129 0.771 -2.913 116 HG12 ILE 16 1HG1 ILE 16 -9.866 0.875 -0.915 117 HG13 ILE 16 2HG1 ILE 16 -10.895 2.259 -1.267 118 HG21 ILE 16 1HG2 ILE 16 -10.702 -1.147 -3.766 119 HG22 ILE 16 2HG2 ILE 16 -9.814 -1.024 -2.249 120 HG23 ILE 16 3HG2 ILE 16 -11.535 -1.405 -2.233 121 HD11 ILE 16 3HD1 ILE 16 -11.776 -0.388 -0.142 122 HD12 ILE 16 1HD1 ILE 16 -11.654 1.143 0.725 123 HD13 ILE 16 2HD1 ILE 16 -12.850 0.947 -0.557 124 H TYR 17 H TYR 17 -9.328 3.700 -3.042 125 HA TYR 17 HA TYR 17 -11.510 5.178 -4.342 126 HB2 TYR 17 1HB TYR 17 -10.394 5.786 -1.597 127 HB3 TYR 17 2HB TYR 17 -11.615 6.728 -2.446 128 HD1 TYR 17 1HD TYR 17 -13.368 4.621 -3.514 129 HD2 TYR 17 2HD TYR 17 -11.476 4.942 0.283 130 HE1 TYR 17 1HE TYR 17 -15.136 3.228 -2.522 131 HE2 TYR 17 2HE TYR 17 -13.237 3.548 1.286 132 HH TYR 17 HH TYR 17 -15.425 2.796 0.909 133 H ASP 18 H ASP 18 -10.970 7.502 -4.658 134 HA ASP 18 HA ASP 18 -8.279 7.721 -5.697 135 HB2 ASP 18 1HB ASP 18 -9.079 9.919 -6.569 136 HB3 ASP 18 2HB ASP 18 -10.071 8.557 -7.080 137 H CYS 19 H CYS 19 -6.776 9.328 -5.135 138 HA CYS 19 HA CYS 19 -7.279 11.028 -2.850 139 HB2 CYS 19 1HB CYS 19 -6.547 8.664 -2.045 140 HB3 CYS 19 2HB CYS 19 -4.952 9.145 -2.610 141 HG CYS 19 HG CYS 19 -6.693 10.231 0.068 142 H GLN 20 H GLN 20 -6.515 12.910 -3.531 143 HA GLN 20 HA GLN 20 -4.092 12.945 -5.194 144 HB2 GLN 20 1HB GLN 20 -6.008 13.999 -6.237 145 HB3 GLN 20 2HB GLN 20 -6.265 15.012 -4.823 146 HG2 GLN 20 1HG GLN 20 -4.459 16.365 -5.295 147 HG3 GLN 20 2HG GLN 20 -3.673 15.142 -6.293 148 HE21 GLN 20 1HE2 GLN 20 -4.150 15.010 -8.433 149 HE22 GLN 20 2HE2 GLN 20 -5.175 16.129 -9.259 150 H ALA 21 H ALA 21 -2.653 12.720 -3.418 151 HA ALA 21 HA ALA 21 -2.640 14.493 -1.204 152 HB1 ALA 21 3HB ALA 21 -0.304 13.630 -0.877 153 HB2 ALA 21 1HB ALA 21 -1.559 12.394 -0.955 154 HB3 ALA 21 2HB ALA 21 -0.522 12.688 -2.351 155 H ASP 22 H ASP 22 -1.450 16.329 -0.807 156 HA ASP 22 HA ASP 22 -0.287 17.614 -3.185 157 HB2 ASP 22 1HB ASP 22 -2.286 18.603 -1.760 158 HB3 ASP 22 2HB ASP 22 -0.975 19.160 -0.724 159 H ASN 23 H ASN 23 0.290 16.755 0.159 160 HA ASN 23 HA ASN 23 2.855 18.094 0.238 161 HB2 ASN 23 1HB ASN 23 1.351 16.360 2.194 162 HB3 ASN 23 2HB ASN 23 3.003 16.891 2.495 163 HD21 ASN 23 1HD2 ASN 23 -0.312 17.885 2.148 164 HD22 ASN 23 2HD2 ASN 23 -0.125 19.454 2.846 165 H ASP 24 H ASP 24 4.865 17.096 0.315 166 HA ASP 24 HA ASP 24 5.303 14.926 -1.355 167 HB2 ASP 24 1HB ASP 24 7.081 16.484 -0.837 168 HB3 ASP 24 2HB ASP 24 7.044 16.020 0.862 169 H ASP 25 H ASP 25 5.251 14.999 2.200 170 HA ASP 25 HA ASP 25 5.859 12.365 2.734 171 HB2 ASP 25 1HB ASP 25 3.874 14.130 4.183 172 HB3 ASP 25 2HB ASP 25 4.565 12.645 4.827 173 H GLU 26 H GLU 26 2.696 13.763 1.948 174 HA GLU 26 HA GLU 26 1.303 11.277 2.175 175 HB2 GLU 26 1HB GLU 26 0.598 13.986 1.081 176 HB3 GLU 26 2HB GLU 26 -0.484 12.618 0.865 177 HG2 GLU 26 1HG GLU 26 -0.810 12.382 3.191 178 HG3 GLU 26 2HG GLU 26 0.520 13.479 3.559 179 H LEU 27 H LEU 27 1.150 9.689 0.739 180 HA LEU 27 HA LEU 27 2.469 9.913 -1.808 181 HB2 LEU 27 1HB LEU 27 2.606 7.874 -0.455 182 HB3 LEU 27 2HB LEU 27 0.868 7.648 -0.627 183 HG LEU 27 HG LEU 27 1.239 7.427 -3.102 184 HD11 LEU 27 1HD1 LEU 27 4.119 6.943 -2.451 185 HD12 LEU 27 2HD1 LEU 27 3.552 8.556 -2.882 186 HD13 LEU 27 3HD1 LEU 27 3.357 7.220 -4.017 187 HD21 LEU 27 3HD2 LEU 27 0.876 5.363 -2.250 188 HD22 LEU 27 1HD2 LEU 27 2.118 5.534 -1.009 189 HD23 LEU 27 2HD2 LEU 27 2.576 5.145 -2.668 190 H THR 28 H THR 28 1.580 10.286 -3.740 191 HA THR 28 HA THR 28 -1.294 10.761 -3.865 192 HB THR 28 HB THR 28 0.814 11.287 -5.970 193 HG1 THR 28 1HG THR 28 -0.423 13.321 -4.482 194 HG21 THR 28 3HG2 THR 28 -0.880 12.745 -6.969 195 HG22 THR 28 1HG2 THR 28 -2.030 12.277 -5.717 196 HG23 THR 28 2HG2 THR 28 -1.453 11.081 -6.878 197 H PHE 29 H PHE 29 -2.671 9.334 -4.684 198 HA PHE 29 HA PHE 29 -1.838 7.549 -6.826 199 HB2 PHE 29 1HB PHE 29 -2.793 5.567 -5.633 200 HB3 PHE 29 2HB PHE 29 -1.324 6.201 -4.898 201 HD1 PHE 29 2HD PHE 29 -4.983 5.969 -4.569 202 HD2 PHE 29 1HD PHE 29 -1.327 7.089 -2.699 203 HE1 PHE 29 2HE PHE 29 -6.148 6.157 -2.411 204 HE2 PHE 29 1HE PHE 29 -2.487 7.278 -0.537 205 HZ PHE 29 HZ PHE 29 -4.902 6.813 -0.391 206 H ILE 30 H ILE 30 -3.862 6.073 -7.370 207 HA ILE 30 HA ILE 30 -6.340 7.607 -7.082 208 HB ILE 30 HB ILE 30 -6.843 7.364 -9.483 209 HG12 ILE 30 1HG1 ILE 30 -3.962 6.783 -10.035 210 HG13 ILE 30 2HG1 ILE 30 -5.030 5.447 -9.623 211 HG21 ILE 30 1HG2 ILE 30 -4.432 8.924 -8.624 212 HG22 ILE 30 2HG2 ILE 30 -5.045 9.024 -10.274 213 HG23 ILE 30 3HG2 ILE 30 -6.075 9.492 -8.921 214 HD11 ILE 30 3HD1 ILE 30 -5.566 7.392 -11.850 215 HD12 ILE 30 1HD1 ILE 30 -4.746 5.845 -12.061 216 HD13 ILE 30 2HD1 ILE 30 -6.420 5.888 -11.505 217 H GLU 31 H GLU 31 -8.262 6.383 -7.737 218 HA GLU 31 HA GLU 31 -8.394 3.869 -6.585 219 HB2 GLU 31 1HB GLU 31 -10.360 5.278 -7.012 220 HB3 GLU 31 2HB GLU 31 -10.185 5.005 -8.739 221 HG2 GLU 31 1HG GLU 31 -10.355 2.484 -8.033 222 HG3 GLU 31 2HG GLU 31 -11.153 3.165 -6.616 223 H GLY 32 H GLY 32 -7.822 1.888 -7.204 224 HA2 GLY 32 1HA GLY 32 -7.676 0.102 -8.761 225 HA3 GLY 32 2HA GLY 32 -7.622 1.279 -10.065 226 H GLU 33 H GLU 33 -5.652 1.416 -7.156 227 HA GLU 33 HA GLU 33 -3.292 0.769 -8.796 228 HB2 GLU 33 1HB GLU 33 -3.627 2.964 -6.752 229 HB3 GLU 33 2HB GLU 33 -2.056 2.425 -7.325 230 HG2 GLU 33 1HG GLU 33 -4.195 3.372 -9.200 231 HG3 GLU 33 2HG GLU 33 -3.062 4.478 -8.427 232 H VAL 34 H VAL 34 -1.578 -0.286 -7.752 233 HA VAL 34 HA VAL 34 -2.359 -1.637 -5.259 234 HB VAL 34 HB VAL 34 -0.328 -2.480 -7.332 235 HG11 VAL 34 1HG1 VAL 34 -0.978 -4.652 -5.729 236 HG12 VAL 34 2HG1 VAL 34 0.530 -3.735 -5.705 237 HG13 VAL 34 3HG1 VAL 34 -0.777 -3.314 -4.598 238 HG21 VAL 34 3HG2 VAL 34 -2.140 -4.428 -7.385 239 HG22 VAL 34 1HG2 VAL 34 -3.196 -3.101 -6.898 240 HG23 VAL 34 2HG2 VAL 34 -2.274 -2.990 -8.398 241 H ILE 35 H ILE 35 -1.143 -1.478 -3.459 242 HA ILE 35 HA ILE 35 1.402 -0.004 -3.658 243 HB ILE 35 HB ILE 35 -0.626 0.159 -1.425 244 HG12 ILE 35 1HG1 ILE 35 0.289 2.388 -3.234 245 HG13 ILE 35 2HG1 ILE 35 -1.091 1.373 -3.637 246 HG21 ILE 35 1HG2 ILE 35 1.100 0.741 -0.148 247 HG22 ILE 35 2HG2 ILE 35 2.197 0.760 -1.527 248 HG23 ILE 35 3HG2 ILE 35 1.245 2.193 -1.138 249 HD11 ILE 35 3HD1 ILE 35 -2.095 3.168 -2.623 250 HD12 ILE 35 1HD1 ILE 35 -1.929 2.045 -1.273 251 HD13 ILE 35 2HD1 ILE 35 -0.788 3.377 -1.457 252 H ILE 36 H ILE 36 3.110 -0.717 -2.439 253 HA ILE 36 HA ILE 36 2.757 -3.352 -1.190 254 HB ILE 36 HB ILE 36 5.272 -2.010 -2.185 255 HG12 ILE 36 1HG1 ILE 36 3.752 -2.780 -3.972 256 HG13 ILE 36 2HG1 ILE 36 5.241 -3.717 -3.931 257 HG21 ILE 36 1HG2 ILE 36 6.436 -4.032 -1.655 258 HG22 ILE 36 2HG2 ILE 36 5.593 -3.487 -0.205 259 HG23 ILE 36 3HG2 ILE 36 4.940 -4.821 -1.156 260 HD11 ILE 36 3HD1 ILE 36 2.623 -4.673 -3.912 261 HD12 ILE 36 1HD1 ILE 36 4.108 -5.598 -3.682 262 HD13 ILE 36 2HD1 ILE 36 3.244 -4.953 -2.285 263 H VAL 37 H VAL 37 2.370 -3.136 0.928 264 HA VAL 37 HA VAL 37 3.367 -0.983 2.508 265 HB VAL 37 HB VAL 37 2.202 -3.604 3.456 266 HG11 VAL 37 1HG1 VAL 37 2.772 -2.816 5.464 267 HG12 VAL 37 2HG1 VAL 37 3.184 -1.229 4.811 268 HG13 VAL 37 3HG1 VAL 37 1.512 -1.604 5.230 269 HG21 VAL 37 3HG2 VAL 37 0.164 -2.907 2.878 270 HG22 VAL 37 1HG2 VAL 37 0.448 -1.300 3.549 271 HG23 VAL 37 2HG2 VAL 37 0.959 -1.671 1.902 272 H THR 38 H THR 38 5.378 -0.774 3.209 273 HA THR 38 HA THR 38 6.932 -3.211 3.788 274 HB THR 38 HB THR 38 8.964 -1.967 3.261 275 HG1 THR 38 1HG THR 38 8.378 0.135 3.751 276 HG21 THR 38 3HG2 THR 38 8.603 -2.816 1.227 277 HG22 THR 38 1HG2 THR 38 7.921 -1.254 0.778 278 HG23 THR 38 2HG2 THR 38 6.865 -2.544 1.353 279 H GLY 39 H GLY 39 6.234 0.106 4.791 280 HA2 GLY 39 1HA GLY 39 7.223 -0.609 7.481 281 HA3 GLY 39 2HA GLY 39 7.570 0.957 6.762 282 H GLU 40 H GLU 40 4.792 -1.141 7.524 283 HA GLU 40 HA GLU 40 2.787 0.745 7.453 284 HB2 GLU 40 1HB GLU 40 1.496 -0.713 8.839 285 HB3 GLU 40 2HB GLU 40 2.508 -1.721 7.813 286 HG2 GLU 40 1HG GLU 40 2.795 -1.150 10.739 287 HG3 GLU 40 2HG GLU 40 2.605 -2.704 9.930 288 H GLU 41 H GLU 41 2.815 2.690 8.371 289 HA GLU 41 HA GLU 41 4.319 3.402 10.632 290 HB2 GLU 41 1HB GLU 41 3.182 4.853 8.751 291 HB3 GLU 41 2HB GLU 41 1.850 4.921 9.897 292 HG2 GLU 41 1HG GLU 41 4.680 5.795 10.430 293 HG3 GLU 41 2HG GLU 41 3.311 6.855 10.102 294 H ASP 42 H ASP 42 0.763 3.218 10.373 295 HA ASP 42 HA ASP 42 0.689 2.208 13.130 296 HB2 ASP 42 1HB ASP 42 -1.466 3.655 13.334 297 HB3 ASP 42 2HB ASP 42 0.106 4.423 13.545 298 H GLN 43 H GLN 43 -1.886 1.773 13.548 299 HA GLN 43 HA GLN 43 -2.477 -0.411 11.796 300 HB2 GLN 43 1HB GLN 43 -3.859 0.778 14.188 301 HB3 GLN 43 2HB GLN 43 -4.600 -0.510 13.247 302 HG2 GLN 43 1HG GLN 43 -3.560 -1.658 14.952 303 HG3 GLN 43 2HG GLN 43 -2.385 -1.766 13.642 304 HE21 GLN 43 1HE2 GLN 43 -0.428 -1.666 14.467 305 HE22 GLN 43 2HE2 GLN 43 0.112 -0.557 15.678 306 H GLU 44 H GLU 44 -3.317 2.903 11.886 307 HA GLU 44 HA GLU 44 -5.658 2.499 10.175 308 HB2 GLU 44 1HB GLU 44 -4.573 4.980 11.518 309 HB3 GLU 44 2HB GLU 44 -5.989 4.955 10.478 310 HG2 GLU 44 1HG GLU 44 -5.667 3.510 13.096 311 HG3 GLU 44 2HG GLU 44 -6.654 4.938 12.794 312 H TRP 45 H TRP 45 -2.422 3.856 10.168 313 HA TRP 45 HA TRP 45 -2.687 4.311 7.268 314 HB2 TRP 45 1HB TRP 45 -1.061 5.856 9.296 315 HB3 TRP 45 2HB TRP 45 -0.886 6.044 7.553 316 HD1 TRP 45 HD TRP 45 -3.848 6.210 10.076 317 HE1 TRP 45 1HE TRP 45 -5.342 8.193 9.398 318 HE3 TRP 45 3HE TRP 45 -1.282 7.784 5.945 319 HZ2 TRP 45 2HZ TRP 45 -5.421 10.164 7.380 320 HZ3 TRP 45 3HZ TRP 45 -2.134 9.726 4.695 321 HH2 TRP 45 HH TRP 45 -4.161 10.890 5.400 322 H TRP 46 H TRP 46 -1.129 3.494 5.944 323 HA TRP 46 HA TRP 46 1.098 2.053 7.225 324 HB2 TRP 46 1HB TRP 46 -0.652 1.125 4.942 325 HB3 TRP 46 2HB TRP 46 0.862 0.346 5.392 326 HD1 TRP 46 HD TRP 46 0.089 0.831 8.646 327 HE1 TRP 46 1HE TRP 46 -1.493 -0.911 9.688 328 HE3 TRP 46 3HE TRP 46 -1.938 -1.091 4.363 329 HZ2 TRP 46 2HZ TRP 46 -3.354 -2.844 8.810 330 HZ3 TRP 46 3HZ TRP 46 -3.611 -2.884 4.551 331 HH2 TRP 46 HH TRP 46 -4.303 -3.742 6.731 332 H ILE 47 H ILE 47 2.960 1.690 5.814 333 HA ILE 47 HA ILE 47 3.232 3.838 3.814 334 HB ILE 47 HB ILE 47 5.446 2.602 5.453 335 HG12 ILE 47 1HG1 ILE 47 4.157 5.320 5.771 336 HG13 ILE 47 2HG1 ILE 47 3.827 3.937 6.808 337 HG21 ILE 47 1HG2 ILE 47 6.885 4.196 4.509 338 HG22 ILE 47 2HG2 ILE 47 5.938 3.587 3.152 339 HG23 ILE 47 3HG2 ILE 47 5.547 5.150 3.868 340 HD11 ILE 47 3HD1 ILE 47 6.435 3.970 7.115 341 HD12 ILE 47 1HD1 ILE 47 6.238 5.658 6.645 342 HD13 ILE 47 2HD1 ILE 47 5.385 5.030 8.055 343 H GLY 48 H GLY 48 4.175 3.388 1.851 344 HA2 GLY 48 1HA GLY 48 5.510 0.943 1.266 345 HA3 GLY 48 2HA GLY 48 3.840 0.885 0.721 346 H HIS 49 H HIS 49 5.045 0.592 -1.372 347 HA HIS 49 HA HIS 49 5.365 3.222 -2.629 348 HB2 HIS 49 1HB HIS 49 7.272 2.277 -3.976 349 HB3 HIS 49 2HB HIS 49 7.628 2.535 -2.272 350 HD1 HIS 49 1HD HIS 49 6.398 -0.364 -4.421 351 HD2 HIS 49 2HD HIS 49 8.879 0.412 -1.180 352 HE1 HIS 49 1HE HIS 49 7.416 -2.580 -3.809 353 HE2 HIS 49 2HE HIS 49 8.847 -2.101 -1.793 354 H ILE 50 H ILE 50 4.593 3.376 -4.696 355 HA ILE 50 HA ILE 50 2.586 1.657 -5.537 356 HB ILE 50 HB ILE 50 4.243 3.573 -7.179 357 HG12 ILE 50 1HG1 ILE 50 3.014 4.688 -5.420 358 HG13 ILE 50 2HG1 ILE 50 2.217 5.012 -6.956 359 HG21 ILE 50 1HG2 ILE 50 1.730 3.251 -8.355 360 HG22 ILE 50 2HG2 ILE 50 3.284 2.708 -8.984 361 HG23 ILE 50 3HG2 ILE 50 2.301 1.620 -8.004 362 HD11 ILE 50 3HD1 ILE 50 0.762 2.945 -6.279 363 HD12 ILE 50 1HD1 ILE 50 1.309 3.366 -4.656 364 HD13 ILE 50 2HD1 ILE 50 0.426 4.548 -5.623 365 H GLU 51 H GLU 51 2.755 -0.399 -6.121 366 HA GLU 51 HA GLU 51 4.859 -1.954 -6.622 367 HB2 GLU 51 1HB GLU 51 2.412 -2.609 -6.708 368 HB3 GLU 51 2HB GLU 51 2.424 -2.115 -8.396 369 HG2 GLU 51 1HG GLU 51 4.311 -4.173 -7.292 370 HG3 GLU 51 2HG GLU 51 2.722 -4.575 -7.941 371 H GLY 52 H GLY 52 6.431 -2.233 -8.094 372 HA2 GLY 52 1HA GLY 52 7.496 -2.142 -10.169 373 HA3 GLY 52 2HA GLY 52 6.139 -1.217 -10.797 374 H GLN 53 H GLN 53 6.071 0.886 -8.984 375 HA GLN 53 HA GLN 53 8.593 2.248 -9.642 376 HB2 GLN 53 1HB GLN 53 5.756 3.154 -9.469 377 HB3 GLN 53 2HB GLN 53 7.024 4.311 -9.088 378 HG2 GLN 53 1HG GLN 53 8.055 3.643 -11.330 379 HG3 GLN 53 2HG GLN 53 6.491 2.905 -11.676 380 HE21 GLN 53 1HE2 GLN 53 4.592 4.391 -11.268 381 HE22 GLN 53 2HE2 GLN 53 4.759 6.023 -11.812 382 HA PRO 54 HA PRO 54 8.904 1.843 -5.102 383 HB2 PRO 54 1HB PRO 54 11.619 1.895 -5.080 384 HB3 PRO 54 2HB PRO 54 10.689 0.424 -5.390 385 HG2 PRO 54 1HG PRO 54 12.013 2.273 -7.336 386 HG3 PRO 54 2HG PRO 54 11.982 0.501 -7.321 387 HD2 PRO 54 1HD PRO 54 10.372 1.972 -8.927 388 HD3 PRO 54 2HD PRO 54 9.878 0.404 -8.256 389 H GLU 55 H GLU 55 10.653 4.031 -7.274 390 HA GLU 55 HA GLU 55 11.696 5.895 -5.622 391 HB2 GLU 55 1HB GLU 55 11.178 7.600 -7.353 392 HB3 GLU 55 2HB GLU 55 11.867 6.125 -8.016 393 HG2 GLU 55 1HG GLU 55 9.532 5.387 -8.547 394 HG3 GLU 55 2HG GLU 55 8.995 7.003 -8.093 395 H ARG 56 H ARG 56 8.284 5.472 -6.362 396 HA ARG 56 HA ARG 56 7.546 7.770 -4.737 397 HB2 ARG 56 1HB ARG 56 5.944 5.818 -6.388 398 HB3 ARG 56 2HB ARG 56 5.197 7.048 -5.376 399 HG2 ARG 56 1HG ARG 56 6.270 8.799 -6.657 400 HG3 ARG 56 2HG ARG 56 7.116 7.594 -7.631 401 HD2 ARG 56 1HD ARG 56 5.343 8.086 -9.002 402 HD3 ARG 56 2HD ARG 56 4.690 6.721 -8.096 403 HE ARG 56 HE ARG 56 3.205 8.145 -7.057 404 HH11 ARG 56 1HH1 ARG 56 5.560 9.976 -8.853 405 HH12 ARG 56 2HH1 ARG 56 4.705 11.475 -8.698 406 HH21 ARG 56 1HH2 ARG 56 2.070 10.113 -6.847 407 HH22 ARG 56 2HH2 ARG 56 2.720 11.552 -7.556 408 H LYS 57 H LYS 57 7.633 7.464 -2.604 409 HA LYS 57 HA LYS 57 6.140 5.226 -1.466 410 HB2 LYS 57 1HB LYS 57 7.936 4.721 0.136 411 HB3 LYS 57 2HB LYS 57 8.443 4.433 -1.523 412 HG2 LYS 57 1HG LYS 57 9.415 6.826 -1.387 413 HG3 LYS 57 2HG LYS 57 9.280 6.597 0.358 414 HD2 LYS 57 1HD LYS 57 11.411 5.826 -0.007 415 HD3 LYS 57 2HD LYS 57 10.493 4.326 -0.169 416 HE2 LYS 57 1HE LYS 57 10.788 4.233 -2.438 417 HE3 LYS 57 2HE LYS 57 10.927 5.983 -2.601 418 HZ1 LYS 57 3HZ LYS 57 13.105 5.648 -2.737 419 HZ2 LYS 57 1HZ LYS 57 12.978 4.032 -2.255 420 HZ3 LYS 57 2HZ LYS 57 13.088 5.254 -1.092 421 H GLY 58 H GLY 58 4.684 6.110 -0.162 422 HA2 GLY 58 1HA GLY 58 5.499 8.003 1.867 423 HA3 GLY 58 2HA GLY 58 4.411 8.669 0.659 424 H VAL 59 H VAL 59 4.146 8.062 3.607 425 HA VAL 59 HA VAL 59 2.490 5.946 4.172 426 HB VAL 59 HB VAL 59 3.365 7.576 5.842 427 HG11 VAL 59 1HG1 VAL 59 2.931 9.690 4.967 428 HG12 VAL 59 2HG1 VAL 59 1.249 9.301 4.605 429 HG13 VAL 59 3HG1 VAL 59 1.761 9.541 6.276 430 HG21 VAL 59 3HG2 VAL 59 1.810 6.046 6.691 431 HG22 VAL 59 1HG2 VAL 59 1.200 7.616 7.213 432 HG23 VAL 59 2HG2 VAL 59 0.465 6.799 5.834 433 H PHE 60 H PHE 60 0.286 5.564 4.137 434 HA PHE 60 HA PHE 60 -1.465 7.520 2.871 435 HB2 PHE 60 1HB PHE 60 -2.340 5.759 1.300 436 HB3 PHE 60 2HB PHE 60 -0.708 6.314 0.945 437 HD1 PHE 60 2HD PHE 60 1.236 4.884 1.698 438 HD2 PHE 60 1HD PHE 60 -2.789 3.501 1.678 439 HE1 PHE 60 2HE PHE 60 2.039 2.560 1.755 440 HE2 PHE 60 1HE PHE 60 -1.992 1.173 1.737 441 HZ PHE 60 HZ PHE 60 0.424 0.700 1.774 442 HA PRO 61 HA PRO 61 -4.387 5.973 5.764 443 HB2 PRO 61 1HB PRO 61 -6.705 6.568 4.482 444 HB3 PRO 61 2HB PRO 61 -5.678 7.797 5.230 445 HG2 PRO 61 1HG PRO 61 -5.871 6.984 2.355 446 HG3 PRO 61 2HG PRO 61 -5.764 8.611 3.054 447 HD2 PRO 61 1HD PRO 61 -3.627 7.345 1.976 448 HD3 PRO 61 2HD PRO 61 -3.481 8.477 3.337 449 H VAL 62 H VAL 62 -4.714 3.874 6.121 450 HA VAL 62 HA VAL 62 -4.942 1.896 4.157 451 HB VAL 62 HB VAL 62 -5.921 1.749 7.013 452 HG11 VAL 62 1HG1 VAL 62 -6.806 -0.126 5.972 453 HG12 VAL 62 2HG1 VAL 62 -5.421 -0.306 4.893 454 HG13 VAL 62 3HG1 VAL 62 -5.269 -0.720 6.601 455 HG21 VAL 62 3HG2 VAL 62 -3.775 1.074 7.665 456 HG22 VAL 62 1HG2 VAL 62 -3.258 0.801 6.000 457 HG23 VAL 62 2HG2 VAL 62 -3.492 2.446 6.594 458 H SER 63 H SER 63 -7.398 3.725 5.895 459 HA SER 63 HA SER 63 -9.654 2.239 5.211 460 HB2 SER 63 1HB SER 63 -10.906 4.387 5.530 461 HB3 SER 63 2HB SER 63 -9.807 4.001 6.854 462 HG SER 63 HG SER 63 -8.889 5.841 6.480 463 H PHE 64 H PHE 64 -7.633 4.212 3.266 464 HA PHE 64 HA PHE 64 -9.612 4.626 1.191 465 HB2 PHE 64 1HB PHE 64 -6.724 5.373 1.533 466 HB3 PHE 64 2HB PHE 64 -7.491 5.490 -0.047 467 HD1 PHE 64 2HD PHE 64 -8.560 6.326 3.432 468 HD2 PHE 64 1HD PHE 64 -7.999 7.658 -0.572 469 HE1 PHE 64 2HE PHE 64 -9.468 8.529 4.042 470 HE2 PHE 64 1HE PHE 64 -8.905 9.864 0.032 471 HZ PHE 64 HZ PHE 64 -9.643 10.302 2.341 472 H VAL 65 H VAL 65 -7.104 2.373 1.975 473 HA VAL 65 HA VAL 65 -7.427 1.083 -0.655 474 HB VAL 65 HB VAL 65 -5.273 0.143 -0.466 475 HG11 VAL 65 1HG1 VAL 65 -5.429 3.010 0.347 476 HG12 VAL 65 2HG1 VAL 65 -3.855 2.220 0.240 477 HG13 VAL 65 3HG1 VAL 65 -4.900 2.302 -1.178 478 HG21 VAL 65 3HG2 VAL 65 -3.964 0.753 1.757 479 HG22 VAL 65 1HG2 VAL 65 -5.597 0.746 2.424 480 HG23 VAL 65 2HG2 VAL 65 -4.962 -0.697 1.633 481 H HIS 66 H HIS 66 -7.108 -1.349 -0.559 482 HA HIS 66 HA HIS 66 -8.215 -2.505 1.902 483 HB2 HIS 66 1HB HIS 66 -10.016 -3.481 0.882 484 HB3 HIS 66 2HB HIS 66 -9.871 -2.055 -0.141 485 HD1 HIS 66 1HD HIS 66 -8.586 -2.453 -2.469 486 HD2 HIS 66 2HD HIS 66 -9.796 -5.865 -0.430 487 HE1 HIS 66 1HE HIS 66 -8.505 -4.313 -4.161 488 HE2 HIS 66 2HE HIS 66 -9.322 -6.350 -2.926 489 H ILE 67 H ILE 67 -7.443 -4.496 2.435 490 HA ILE 67 HA ILE 67 -5.043 -5.367 1.172 491 HB ILE 67 HB ILE 67 -6.670 -6.880 3.213 492 HG12 ILE 67 1HG1 ILE 67 -4.756 -5.748 4.694 493 HG13 ILE 67 2HG1 ILE 67 -4.892 -4.505 3.455 494 HG21 ILE 67 1HG2 ILE 67 -5.089 -8.418 2.957 495 HG22 ILE 67 2HG2 ILE 67 -4.176 -7.375 1.867 496 HG23 ILE 67 3HG2 ILE 67 -3.932 -7.258 3.608 497 HD11 ILE 67 3HD1 ILE 67 -7.411 -5.471 4.657 498 HD12 ILE 67 1HD1 ILE 67 -6.347 -4.506 5.681 499 HD13 ILE 67 2HD1 ILE 67 -6.936 -3.849 4.153 500 H LEU 68 H LEU 68 -4.951 -6.488 -0.651 501 HA LEU 68 HA LEU 68 -7.175 -7.813 -1.798 502 HB2 LEU 68 1HB LEU 68 -4.305 -8.300 -2.534 503 HB3 LEU 68 2HB LEU 68 -5.731 -8.420 -3.562 504 HG LEU 68 HG LEU 68 -5.027 -5.762 -2.417 505 HD11 LEU 68 1HD1 LEU 68 -3.124 -7.253 -3.803 506 HD12 LEU 68 2HD1 LEU 68 -3.111 -5.515 -3.507 507 HD13 LEU 68 3HD1 LEU 68 -3.808 -6.150 -4.996 508 HD21 LEU 68 3HD2 LEU 68 -7.043 -6.541 -3.965 509 HD22 LEU 68 1HD2 LEU 68 -5.847 -6.240 -5.226 510 HD23 LEU 68 2HD2 LEU 68 -6.301 -4.948 -4.115 511 H SER 69 H SER 69 -7.919 -9.811 -1.517 512 HA SER 69 HA SER 69 -6.965 -11.521 0.477 513 HB2 SER 69 1HB SER 69 -9.282 -11.569 -0.383 514 HB3 SER 69 2HB SER 69 -8.694 -12.238 -1.905 515 HG SER 69 HG SER 69 -9.445 -13.610 0.126 516 H ASP 70 H ASP 70 -5.996 -13.607 0.335 517 HA ASP 70 HA ASP 70 -4.770 -14.467 -2.122 518 HB2 ASP 70 1HB ASP 70 -3.117 -13.262 0.091 519 HB3 ASP 70 2HB ASP 70 -2.440 -14.420 -1.050 520 H SER 71 H SER 71 -3.654 -16.521 -1.894 521 HA SER 71 HA SER 71 -4.809 -18.093 0.286 522 HB2 SER 71 1HB SER 71 -3.587 -18.881 -2.363 523 HB3 SER 71 2HB SER 71 -4.078 -20.052 -1.139 524 HG SER 71 HG SER 71 -5.852 -18.088 -2.132 525 H GLY 72 H GLY 72 -3.548 -18.141 2.043 526 HA2 GLY 72 1HA GLY 72 -1.425 -19.599 2.555 527 HA3 GLY 72 2HA GLY 72 -0.639 -18.264 1.725 528 HA PRO 73 HA PRO 73 -2.499 -16.658 5.928 529 HB2 PRO 73 1HB PRO 73 -2.833 -18.593 7.803 530 HB3 PRO 73 2HB PRO 73 -4.119 -18.096 6.696 531 HG2 PRO 73 1HG PRO 73 -2.285 -20.456 6.532 532 HG3 PRO 73 2HG PRO 73 -4.027 -20.370 6.216 533 HD2 PRO 73 1HD PRO 73 -2.187 -20.374 4.231 534 HD3 PRO 73 2HD PRO 73 -3.730 -19.506 4.101 535 H SER 74 H SER 74 -0.914 -15.712 7.038 536 HA SER 74 HA SER 74 1.573 -17.172 7.493 537 HB2 SER 74 1HB SER 74 2.574 -15.001 7.914 538 HB3 SER 74 2HB SER 74 1.623 -14.915 6.430 539 HG SER 74 HG SER 74 0.070 -13.778 7.487 540 H SER 75 H SER 75 1.854 -18.177 9.360 541 HA SER 75 HA SER 75 0.927 -16.881 11.825 542 HB2 SER 75 1HB SER 75 0.314 -19.663 10.885 543 HB3 SER 75 2HB SER 75 0.439 -19.328 12.612 544 HG SER 75 HG SER 75 -1.284 -18.016 10.774 545 H GLY 76 H GLY 76 2.215 -17.195 13.623 546 HA2 GLY 76 1HA GLY 76 4.255 -17.426 14.670 547 HA3 GLY 76 2HA GLY 76 4.140 -19.083 14.098 Start of MODEL 8 1 H1 GLY 1 H GLY 1 18.660 -9.874 -6.289 2 HA2 GLY 1 1HA GLY 1 16.118 -10.493 -5.421 3 HA3 GLY 1 2HA GLY 1 16.124 -10.881 -7.135 4 H SER 2 H SER 2 16.637 -12.100 -4.103 5 HA SER 2 HA SER 2 18.232 -14.327 -5.188 6 HB2 SER 2 1HB SER 2 19.385 -14.565 -3.091 7 HB3 SER 2 2HB SER 2 19.516 -12.875 -3.578 8 HG SER 2 HG SER 2 17.692 -12.482 -2.170 9 H SER 3 H SER 3 17.363 -16.290 -4.967 10 HA SER 3 HA SER 3 14.773 -16.534 -3.711 11 HB2 SER 3 1HB SER 3 16.481 -18.497 -5.254 12 HB3 SER 3 2HB SER 3 14.889 -18.887 -4.603 13 HG SER 3 HG SER 3 13.986 -17.350 -5.942 14 H GLY 4 H GLY 4 15.090 -16.397 -1.507 15 HA2 GLY 4 1HA GLY 4 16.590 -18.650 -0.321 16 HA3 GLY 4 2HA GLY 4 16.638 -17.036 0.369 17 H SER 5 H SER 5 15.046 -20.022 0.342 18 HA SER 5 HA SER 5 12.445 -19.510 1.025 19 HB2 SER 5 1HB SER 5 13.617 -21.773 0.802 20 HB3 SER 5 2HB SER 5 14.091 -21.574 2.489 21 HG SER 5 HG SER 5 12.195 -22.659 2.558 22 H SER 6 H SER 6 11.475 -18.406 2.583 23 HA SER 6 HA SER 6 12.290 -18.438 5.296 24 HB2 SER 6 1HB SER 6 14.026 -16.903 4.355 25 HB3 SER 6 2HB SER 6 12.733 -15.808 3.865 26 HG SER 6 HG SER 6 13.129 -15.030 5.802 27 H GLY 7 H GLY 7 10.921 -17.028 6.658 28 HA2 GLY 7 1HA GLY 7 8.266 -16.776 5.434 29 HA3 GLY 7 2HA GLY 7 8.600 -16.884 7.156 30 H ASN 8 H ASN 8 8.936 -14.761 4.340 31 HA ASN 8 HA ASN 8 9.434 -12.440 5.970 32 HB2 ASN 8 1HB ASN 8 9.034 -11.282 3.667 33 HB3 ASN 8 2HB ASN 8 10.476 -12.267 3.896 34 HD21 ASN 8 1HD2 ASN 8 10.746 -14.089 2.713 35 HD22 ASN 8 2HD2 ASN 8 9.657 -14.602 1.473 36 H LYS 9 H LYS 9 8.032 -10.836 6.524 37 HA LYS 9 HA LYS 9 5.188 -11.434 6.167 38 HB2 LYS 9 1HB LYS 9 6.385 -10.926 8.443 39 HB3 LYS 9 2HB LYS 9 6.221 -9.249 7.937 40 HG2 LYS 9 1HG LYS 9 3.813 -10.983 7.833 41 HG3 LYS 9 2HG LYS 9 4.392 -10.443 9.410 42 HD2 LYS 9 1HD LYS 9 4.087 -8.456 7.203 43 HD3 LYS 9 2HD LYS 9 2.654 -9.012 8.070 44 HE2 LYS 9 1HE LYS 9 3.302 -7.122 9.260 45 HE3 LYS 9 2HE LYS 9 3.991 -8.445 10.198 46 HZ1 LYS 9 3HZ LYS 9 5.563 -7.043 8.125 47 HZ2 LYS 9 1HZ LYS 9 6.121 -7.990 9.412 48 HZ3 LYS 9 2HZ LYS 9 5.472 -6.458 9.711 49 H VAL 10 H VAL 10 4.535 -10.606 4.253 50 HA VAL 10 HA VAL 10 5.157 -7.778 3.704 51 HB VAL 10 HB VAL 10 4.774 -8.204 1.364 52 HG11 VAL 10 1HG1 VAL 10 6.434 -10.454 1.426 53 HG12 VAL 10 2HG1 VAL 10 6.927 -8.761 1.337 54 HG13 VAL 10 3HG1 VAL 10 6.794 -9.561 2.903 55 HG21 VAL 10 3HG2 VAL 10 3.737 -10.808 2.368 56 HG22 VAL 10 1HG2 VAL 10 3.094 -9.742 1.120 57 HG23 VAL 10 2HG2 VAL 10 4.493 -10.759 0.777 58 H ARG 11 H ARG 11 3.463 -6.494 2.709 59 HA ARG 11 HA ARG 11 0.738 -7.472 3.168 60 HB2 ARG 11 1HB ARG 11 2.079 -5.198 4.520 61 HB3 ARG 11 2HB ARG 11 0.427 -4.928 3.982 62 HG2 ARG 11 1HG ARG 11 1.001 -7.409 5.503 63 HG3 ARG 11 2HG ARG 11 0.984 -5.878 6.381 64 HD2 ARG 11 1HD ARG 11 -1.266 -5.436 5.332 65 HD3 ARG 11 2HD ARG 11 -1.237 -7.104 4.758 66 HE ARG 11 HE ARG 11 -1.698 -6.198 7.456 67 HH11 ARG 11 1HH1 ARG 11 -0.747 -8.862 5.427 68 HH12 ARG 11 2HH1 ARG 11 -1.177 -10.072 6.590 69 HH21 ARG 11 1HH2 ARG 11 -2.268 -7.781 8.996 70 HH22 ARG 11 2HH2 ARG 11 -2.043 -9.456 8.620 71 H ARG 12 H ARG 12 -0.178 -7.369 1.226 72 HA ARG 12 HA ARG 12 0.469 -5.108 -0.535 73 HB2 ARG 12 1HB ARG 12 -0.378 -7.926 -1.012 74 HB3 ARG 12 2HB ARG 12 -0.859 -6.708 -2.186 75 HG2 ARG 12 1HG ARG 12 1.598 -6.050 -2.270 76 HG3 ARG 12 2HG ARG 12 1.908 -7.560 -1.410 77 HD2 ARG 12 1HD ARG 12 0.932 -8.840 -3.191 78 HD3 ARG 12 2HD ARG 12 0.394 -7.374 -4.009 79 HE ARG 12 HE ARG 12 3.242 -7.521 -3.612 80 HH11 ARG 12 1HH1 ARG 12 0.581 -8.350 -5.699 81 HH12 ARG 12 2HH1 ARG 12 1.564 -8.472 -7.121 82 HH21 ARG 12 1HH2 ARG 12 4.546 -7.679 -5.477 83 HH22 ARG 12 2HH2 ARG 12 3.819 -8.091 -6.992 84 H VAL 13 H VAL 13 -1.040 -3.657 -1.112 85 HA VAL 13 HA VAL 13 -3.865 -4.244 -0.625 86 HB VAL 13 HB VAL 13 -4.217 -2.061 0.462 87 HG11 VAL 13 1HG1 VAL 13 -2.219 -3.122 2.290 88 HG12 VAL 13 2HG1 VAL 13 -3.973 -3.025 2.461 89 HG13 VAL 13 3HG1 VAL 13 -3.244 -4.378 1.595 90 HG21 VAL 13 3HG2 VAL 13 -2.161 -0.928 1.409 91 HG22 VAL 13 1HG2 VAL 13 -1.219 -1.899 0.279 92 HG23 VAL 13 2HG2 VAL 13 -2.413 -0.752 -0.327 93 H LYS 14 H LYS 14 -5.302 -2.579 -1.592 94 HA LYS 14 HA LYS 14 -4.047 -1.208 -3.873 95 HB2 LYS 14 1HB LYS 14 -5.026 -3.168 -4.818 96 HB3 LYS 14 2HB LYS 14 -6.501 -2.961 -3.885 97 HG2 LYS 14 1HG LYS 14 -6.678 -0.713 -5.197 98 HG3 LYS 14 2HG LYS 14 -5.586 -1.518 -6.325 99 HD2 LYS 14 1HD LYS 14 -7.981 -3.014 -5.392 100 HD3 LYS 14 2HD LYS 14 -8.221 -1.704 -6.551 101 HE2 LYS 14 1HE LYS 14 -7.944 -3.691 -7.815 102 HE3 LYS 14 2HE LYS 14 -6.442 -2.779 -7.969 103 HZ1 LYS 14 3HZ LYS 14 -6.129 -5.186 -7.554 104 HZ2 LYS 14 1HZ LYS 14 -6.844 -4.992 -6.033 105 HZ3 LYS 14 2HZ LYS 14 -5.391 -4.202 -6.391 106 H THR 15 H THR 15 -4.964 0.736 -4.491 107 HA THR 15 HA THR 15 -6.453 2.104 -2.448 108 HB THR 15 HB THR 15 -6.307 4.066 -3.974 109 HG1 THR 15 1HG THR 15 -6.256 3.173 -5.995 110 HG21 THR 15 3HG2 THR 15 -3.757 4.147 -3.990 111 HG22 THR 15 1HG2 THR 15 -3.811 2.524 -3.302 112 HG23 THR 15 2HG2 THR 15 -4.534 3.877 -2.430 113 H ILE 16 H ILE 16 -8.553 1.567 -2.280 114 HA ILE 16 HA ILE 16 -10.179 0.984 -4.579 115 HB ILE 16 HB ILE 16 -12.054 1.005 -2.835 116 HG12 ILE 16 1HG1 ILE 16 -9.728 0.975 -0.909 117 HG13 ILE 16 2HG1 ILE 16 -10.691 2.414 -1.226 118 HG21 ILE 16 1HG2 ILE 16 -10.323 -0.925 -3.645 119 HG22 ILE 16 2HG2 ILE 16 -10.121 -0.989 -1.895 120 HG23 ILE 16 3HG2 ILE 16 -11.720 -1.204 -2.606 121 HD11 ILE 16 3HD1 ILE 16 -12.476 1.639 -0.070 122 HD12 ILE 16 1HD1 ILE 16 -12.141 -0.047 -0.461 123 HD13 ILE 16 2HD1 ILE 16 -11.201 0.773 0.786 124 H TYR 17 H TYR 17 -9.148 3.814 -3.135 125 HA TYR 17 HA TYR 17 -11.290 5.321 -4.459 126 HB2 TYR 17 1HB TYR 17 -10.206 5.949 -1.705 127 HB3 TYR 17 2HB TYR 17 -11.385 6.909 -2.591 128 HD1 TYR 17 1HD TYR 17 -13.245 4.948 -3.629 129 HD2 TYR 17 2HD TYR 17 -11.278 5.057 0.143 130 HE1 TYR 17 1HE TYR 17 -15.069 3.623 -2.646 131 HE2 TYR 17 2HE TYR 17 -13.096 3.731 1.135 132 HH TYR 17 HH TYR 17 -15.167 1.954 -0.470 133 H ASP 18 H ASP 18 -10.686 7.628 -4.799 134 HA ASP 18 HA ASP 18 -7.909 7.763 -5.677 135 HB2 ASP 18 1HB ASP 18 -8.606 9.738 -6.939 136 HB3 ASP 18 2HB ASP 18 -9.684 8.383 -7.265 137 H CYS 19 H CYS 19 -6.432 9.268 -4.988 138 HA CYS 19 HA CYS 19 -7.227 11.246 -3.004 139 HB2 CYS 19 1HB CYS 19 -6.479 8.920 -1.979 140 HB3 CYS 19 2HB CYS 19 -4.869 9.554 -2.301 141 HG CYS 19 HG CYS 19 -4.745 10.753 -0.043 142 H GLN 20 H GLN 20 -5.847 13.001 -2.864 143 HA GLN 20 HA GLN 20 -3.566 12.994 -4.729 144 HB2 GLN 20 1HB GLN 20 -5.701 14.299 -5.412 145 HB3 GLN 20 2HB GLN 20 -5.200 15.456 -4.186 146 HG2 GLN 20 1HG GLN 20 -3.612 14.615 -6.600 147 HG3 GLN 20 2HG GLN 20 -4.444 16.152 -6.372 148 HE21 GLN 20 1HE2 GLN 20 -3.606 17.655 -4.907 149 HE22 GLN 20 2HE2 GLN 20 -1.971 17.573 -4.357 150 H ALA 21 H ALA 21 -1.950 12.758 -3.247 151 HA ALA 21 HA ALA 21 -1.871 14.119 -0.752 152 HB1 ALA 21 3HB ALA 21 0.233 12.658 -2.332 153 HB2 ALA 21 1HB ALA 21 0.533 13.367 -0.744 154 HB3 ALA 21 2HB ALA 21 -0.665 12.085 -0.927 155 H ASP 22 H ASP 22 -1.103 16.074 -0.227 156 HA ASP 22 HA ASP 22 -0.191 17.811 -2.374 157 HB2 ASP 22 1HB ASP 22 -1.168 18.244 0.427 158 HB3 ASP 22 2HB ASP 22 -0.254 19.512 -0.382 159 H ASN 23 H ASN 23 0.966 16.556 0.726 160 HA ASN 23 HA ASN 23 3.550 17.842 0.360 161 HB2 ASN 23 1HB ASN 23 2.273 16.279 2.586 162 HB3 ASN 23 2HB ASN 23 4.012 16.559 2.576 163 HD21 ASN 23 1HD2 ASN 23 1.119 17.714 3.634 164 HD22 ASN 23 2HD2 ASN 23 1.561 19.357 3.936 165 H ASP 24 H ASP 24 5.538 16.651 0.379 166 HA ASP 24 HA ASP 24 5.614 14.516 -1.423 167 HB2 ASP 24 1HB ASP 24 7.684 15.409 0.595 168 HB3 ASP 24 2HB ASP 24 7.990 14.269 -0.713 169 H ASP 25 H ASP 25 5.889 14.532 2.116 170 HA ASP 25 HA ASP 25 6.446 11.900 2.620 171 HB2 ASP 25 1HB ASP 25 4.549 13.711 4.129 172 HB3 ASP 25 2HB ASP 25 5.175 12.185 4.747 173 H GLU 26 H GLU 26 3.251 13.319 1.998 174 HA GLU 26 HA GLU 26 1.869 10.831 2.234 175 HB2 GLU 26 1HB GLU 26 1.111 13.550 1.198 176 HB3 GLU 26 2HB GLU 26 0.018 12.182 1.051 177 HG2 GLU 26 1HG GLU 26 -0.208 11.971 3.375 178 HG3 GLU 26 2HG GLU 26 1.188 13.001 3.687 179 H LEU 27 H LEU 27 1.614 9.277 0.771 180 HA LEU 27 HA LEU 27 2.845 9.525 -1.816 181 HB2 LEU 27 1HB LEU 27 3.010 7.452 -0.560 182 HB3 LEU 27 2HB LEU 27 1.256 7.283 -0.575 183 HG LEU 27 HG LEU 27 1.373 7.064 -3.060 184 HD11 LEU 27 1HD1 LEU 27 3.905 8.053 -2.790 185 HD12 LEU 27 2HD1 LEU 27 3.276 7.235 -4.220 186 HD13 LEU 27 3HD1 LEU 27 4.199 6.329 -3.022 187 HD21 LEU 27 3HD2 LEU 27 1.685 5.183 -1.130 188 HD22 LEU 27 1HD2 LEU 27 3.117 4.898 -2.119 189 HD23 LEU 27 2HD2 LEU 27 1.513 4.832 -2.851 190 H THR 28 H THR 28 1.901 9.984 -3.699 191 HA THR 28 HA THR 28 -0.952 10.554 -3.720 192 HB THR 28 HB THR 28 0.997 10.945 -5.994 193 HG1 THR 28 1HG THR 28 1.853 12.272 -4.523 194 HG21 THR 28 3HG2 THR 28 -1.560 11.034 -6.308 195 HG22 THR 28 1HG2 THR 28 -0.599 12.376 -6.928 196 HG23 THR 28 2HG2 THR 28 -1.474 12.546 -5.406 197 H PHE 29 H PHE 29 -2.418 9.171 -4.452 198 HA PHE 29 HA PHE 29 -1.715 7.312 -6.595 199 HB2 PHE 29 1HB PHE 29 -2.788 5.428 -5.386 200 HB3 PHE 29 2HB PHE 29 -1.338 6.014 -4.578 201 HD1 PHE 29 2HD PHE 29 -5.036 6.144 -4.508 202 HD2 PHE 29 1HD PHE 29 -1.413 6.769 -2.363 203 HE1 PHE 29 2HE PHE 29 -6.320 6.440 -2.431 204 HE2 PHE 29 1HE PHE 29 -2.691 7.065 -0.282 205 HZ PHE 29 HZ PHE 29 -5.149 6.903 -0.315 206 H ILE 30 H ILE 30 -3.796 6.040 -7.232 207 HA ILE 30 HA ILE 30 -6.192 7.697 -6.938 208 HB ILE 30 HB ILE 30 -6.644 7.600 -9.360 209 HG12 ILE 30 1HG1 ILE 30 -3.776 6.860 -9.829 210 HG13 ILE 30 2HG1 ILE 30 -4.975 5.592 -9.590 211 HG21 ILE 30 1HG2 ILE 30 -5.071 9.338 -10.023 212 HG22 ILE 30 2HG2 ILE 30 -5.621 9.588 -8.366 213 HG23 ILE 30 3HG2 ILE 30 -4.019 8.915 -8.672 214 HD11 ILE 30 3HD1 ILE 30 -5.332 7.747 -11.640 215 HD12 ILE 30 1HD1 ILE 30 -4.443 6.262 -11.976 216 HD13 ILE 30 2HD1 ILE 30 -6.146 6.188 -11.525 217 H GLU 31 H GLU 31 -8.160 6.612 -7.473 218 HA GLU 31 HA GLU 31 -8.427 4.050 -6.535 219 HB2 GLU 31 1HB GLU 31 -10.311 5.597 -6.886 220 HB3 GLU 31 2HB GLU 31 -10.159 5.382 -8.625 221 HG2 GLU 31 1HG GLU 31 -10.476 2.855 -8.039 222 HG3 GLU 31 2HG GLU 31 -11.195 3.500 -6.565 223 H GLY 32 H GLY 32 -7.570 2.211 -7.231 224 HA2 GLY 32 1HA GLY 32 -7.634 0.453 -8.894 225 HA3 GLY 32 2HA GLY 32 -7.551 1.695 -10.134 226 H GLU 33 H GLU 33 -5.575 1.511 -7.216 227 HA GLU 33 HA GLU 33 -3.244 0.870 -8.890 228 HB2 GLU 33 1HB GLU 33 -3.449 3.046 -6.805 229 HB3 GLU 33 2HB GLU 33 -1.925 2.477 -7.472 230 HG2 GLU 33 1HG GLU 33 -4.148 3.908 -8.889 231 HG3 GLU 33 2HG GLU 33 -2.485 4.439 -8.648 232 H VAL 34 H VAL 34 -1.388 0.056 -7.651 233 HA VAL 34 HA VAL 34 -2.272 -1.414 -5.253 234 HB VAL 34 HB VAL 34 -0.175 -2.234 -7.268 235 HG11 VAL 34 1HG1 VAL 34 0.607 -3.305 -5.429 236 HG12 VAL 34 2HG1 VAL 34 -0.953 -3.265 -4.606 237 HG13 VAL 34 3HG1 VAL 34 -0.651 -4.460 -5.869 238 HG21 VAL 34 3HG2 VAL 34 -2.841 -2.354 -7.650 239 HG22 VAL 34 1HG2 VAL 34 -1.703 -3.529 -8.311 240 HG23 VAL 34 2HG2 VAL 34 -2.576 -3.887 -6.820 241 H ILE 35 H ILE 35 -0.989 -1.429 -3.455 242 HA ILE 35 HA ILE 35 1.517 0.111 -3.578 243 HB ILE 35 HB ILE 35 -0.473 0.252 -1.312 244 HG12 ILE 35 1HG1 ILE 35 0.153 2.300 -3.450 245 HG13 ILE 35 2HG1 ILE 35 -1.326 1.353 -3.348 246 HG21 ILE 35 1HG2 ILE 35 1.512 2.356 -1.504 247 HG22 ILE 35 2HG2 ILE 35 1.083 1.330 -0.137 248 HG23 ILE 35 3HG2 ILE 35 2.246 0.762 -1.334 249 HD11 ILE 35 3HD1 ILE 35 -0.569 3.784 -1.964 250 HD12 ILE 35 1HD1 ILE 35 -2.161 3.072 -2.221 251 HD13 ILE 35 2HD1 ILE 35 -1.162 2.534 -0.871 252 H ILE 36 H ILE 36 3.218 -0.742 -2.515 253 HA ILE 36 HA ILE 36 2.815 -3.338 -1.227 254 HB ILE 36 HB ILE 36 5.353 -1.993 -2.158 255 HG12 ILE 36 1HG1 ILE 36 3.972 -2.710 -4.020 256 HG13 ILE 36 2HG1 ILE 36 5.346 -3.798 -3.866 257 HG21 ILE 36 1HG2 ILE 36 4.953 -4.779 -1.075 258 HG22 ILE 36 2HG2 ILE 36 6.465 -4.096 -1.672 259 HG23 ILE 36 3HG2 ILE 36 5.720 -3.445 -0.213 260 HD11 ILE 36 3HD1 ILE 36 2.519 -4.323 -2.987 261 HD12 ILE 36 1HD1 ILE 36 3.373 -5.070 -4.337 262 HD13 ILE 36 2HD1 ILE 36 3.882 -5.398 -2.681 263 H VAL 37 H VAL 37 2.332 -3.093 0.876 264 HA VAL 37 HA VAL 37 3.313 -0.989 2.510 265 HB VAL 37 HB VAL 37 2.061 -3.623 3.300 266 HG11 VAL 37 1HG1 VAL 37 1.705 -1.477 5.183 267 HG12 VAL 37 2HG1 VAL 37 2.364 -3.093 5.437 268 HG13 VAL 37 3HG1 VAL 37 3.419 -1.783 4.909 269 HG21 VAL 37 3HG2 VAL 37 0.876 -1.653 1.901 270 HG22 VAL 37 1HG2 VAL 37 0.024 -2.678 3.055 271 HG23 VAL 37 2HG2 VAL 37 0.585 -1.079 3.544 272 H THR 38 H THR 38 5.320 -0.780 3.227 273 HA THR 38 HA THR 38 6.886 -3.215 3.777 274 HB THR 38 HB THR 38 8.910 -1.882 3.395 275 HG1 THR 38 1HG THR 38 8.613 0.207 3.629 276 HG21 THR 38 3HG2 THR 38 8.118 -1.186 0.885 277 HG22 THR 38 1HG2 THR 38 6.858 -2.334 1.338 278 HG23 THR 38 2HG2 THR 38 8.552 -2.823 1.377 279 H GLY 39 H GLY 39 6.269 0.108 4.876 280 HA2 GLY 39 1HA GLY 39 7.045 -0.767 7.588 281 HA3 GLY 39 2HA GLY 39 7.540 0.795 6.950 282 H GLU 40 H GLU 40 4.656 -1.148 7.676 283 HA GLU 40 HA GLU 40 2.713 0.792 7.468 284 HB2 GLU 40 1HB GLU 40 1.380 -0.531 8.997 285 HB3 GLU 40 2HB GLU 40 2.269 -1.596 7.919 286 HG2 GLU 40 1HG GLU 40 2.749 -1.050 10.823 287 HG3 GLU 40 2HG GLU 40 2.441 -2.590 10.021 288 H GLU 41 H GLU 41 2.831 2.790 8.267 289 HA GLU 41 HA GLU 41 4.313 3.593 10.494 290 HB2 GLU 41 1HB GLU 41 3.163 4.951 8.543 291 HB3 GLU 41 2HB GLU 41 1.860 5.106 9.713 292 HG2 GLU 41 1HG GLU 41 3.116 6.387 11.151 293 HG3 GLU 41 2HG GLU 41 4.647 5.776 10.528 294 H ASP 42 H ASP 42 0.845 2.893 10.197 295 HA ASP 42 HA ASP 42 0.750 2.175 13.005 296 HB2 ASP 42 1HB ASP 42 -1.070 4.333 11.918 297 HB3 ASP 42 2HB ASP 42 -1.094 3.670 13.551 298 H GLN 43 H GLN 43 -1.835 1.797 13.455 299 HA GLN 43 HA GLN 43 -2.472 -0.423 11.772 300 HB2 GLN 43 1HB GLN 43 -4.231 -0.876 13.276 301 HB3 GLN 43 2HB GLN 43 -2.939 -0.212 14.266 302 HG2 GLN 43 1HG GLN 43 -4.044 1.809 14.576 303 HG3 GLN 43 2HG GLN 43 -5.112 1.544 13.199 304 HE21 GLN 43 1HE2 GLN 43 -4.635 1.101 16.547 305 HE22 GLN 43 2HE2 GLN 43 -6.111 0.272 16.884 306 H GLU 44 H GLU 44 -3.366 2.913 11.863 307 HA GLU 44 HA GLU 44 -5.657 2.494 10.107 308 HB2 GLU 44 1HB GLU 44 -4.551 4.903 11.533 309 HB3 GLU 44 2HB GLU 44 -5.792 5.051 10.296 310 HG2 GLU 44 1HG GLU 44 -5.964 3.730 12.976 311 HG3 GLU 44 2HG GLU 44 -6.960 5.024 12.311 312 H TRP 45 H TRP 45 -2.516 4.141 10.105 313 HA TRP 45 HA TRP 45 -2.735 4.418 7.183 314 HB2 TRP 45 1HB TRP 45 -1.018 5.931 9.161 315 HB3 TRP 45 2HB TRP 45 -0.943 6.136 7.412 316 HD1 TRP 45 HD TRP 45 -3.763 6.296 10.096 317 HE1 TRP 45 1HE TRP 45 -5.262 8.312 9.533 318 HE3 TRP 45 3HE TRP 45 -1.391 7.919 5.866 319 HZ2 TRP 45 2HZ TRP 45 -5.419 10.322 7.559 320 HZ3 TRP 45 3HZ TRP 45 -2.281 9.895 4.700 321 HH2 TRP 45 HH TRP 45 -4.253 11.070 5.530 322 H TRP 46 H TRP 46 -1.243 3.507 5.862 323 HA TRP 46 HA TRP 46 0.941 2.003 7.149 324 HB2 TRP 46 1HB TRP 46 -0.899 1.213 4.903 325 HB3 TRP 46 2HB TRP 46 0.674 0.447 5.106 326 HD1 TRP 46 HD TRP 46 -0.131 0.916 8.505 327 HE1 TRP 46 1HE TRP 46 -1.389 -1.079 9.535 328 HE3 TRP 46 3HE TRP 46 -1.639 -1.400 4.204 329 HZ2 TRP 46 2HZ TRP 46 -2.829 -3.337 8.642 330 HZ3 TRP 46 3HZ TRP 46 -2.952 -3.473 4.379 331 HH2 TRP 46 HH TRP 46 -3.533 -4.420 6.552 332 H ILE 47 H ILE 47 2.776 1.524 5.658 333 HA ILE 47 HA ILE 47 3.196 3.754 3.775 334 HB ILE 47 HB ILE 47 5.348 2.397 5.398 335 HG12 ILE 47 1HG1 ILE 47 3.975 5.053 5.865 336 HG13 ILE 47 2HG1 ILE 47 3.832 3.623 6.880 337 HG21 ILE 47 1HG2 ILE 47 5.710 5.082 4.224 338 HG22 ILE 47 2HG2 ILE 47 6.850 3.747 4.384 339 HG23 ILE 47 3HG2 ILE 47 5.649 3.731 3.093 340 HD11 ILE 47 3HD1 ILE 47 6.404 3.834 7.097 341 HD12 ILE 47 1HD1 ILE 47 6.130 5.492 6.562 342 HD13 ILE 47 2HD1 ILE 47 5.356 4.901 8.032 343 H GLY 48 H GLY 48 3.687 3.219 1.744 344 HA2 GLY 48 1HA GLY 48 5.172 0.831 1.111 345 HA3 GLY 48 2HA GLY 48 3.480 0.742 0.643 346 H HIS 49 H HIS 49 5.278 0.498 -1.320 347 HA HIS 49 HA HIS 49 5.234 3.123 -2.661 348 HB2 HIS 49 1HB HIS 49 7.190 2.318 -3.979 349 HB3 HIS 49 2HB HIS 49 7.526 2.473 -2.257 350 HD1 HIS 49 1HD HIS 49 6.125 -0.393 -4.348 351 HD2 HIS 49 2HD HIS 49 9.098 0.401 -1.556 352 HE1 HIS 49 1HE HIS 49 7.268 -2.595 -3.939 353 HE2 HIS 49 2HE HIS 49 9.007 -2.107 -2.184 354 H ILE 50 H ILE 50 4.516 3.226 -4.765 355 HA ILE 50 HA ILE 50 2.558 1.431 -5.593 356 HB ILE 50 HB ILE 50 4.151 3.341 -7.306 357 HG12 ILE 50 1HG1 ILE 50 3.071 4.549 -5.536 358 HG13 ILE 50 2HG1 ILE 50 2.125 4.797 -6.999 359 HG21 ILE 50 1HG2 ILE 50 1.392 2.686 -8.051 360 HG22 ILE 50 2HG2 ILE 50 2.828 2.869 -9.057 361 HG23 ILE 50 3HG2 ILE 50 2.535 1.352 -8.207 362 HD11 ILE 50 3HD1 ILE 50 0.368 4.255 -5.756 363 HD12 ILE 50 1HD1 ILE 50 0.945 2.593 -5.874 364 HD13 ILE 50 2HD1 ILE 50 1.375 3.578 -4.475 365 H GLU 51 H GLU 51 2.865 -0.641 -6.078 366 HA GLU 51 HA GLU 51 5.044 -2.076 -6.606 367 HB2 GLU 51 1HB GLU 51 2.618 -2.859 -6.608 368 HB3 GLU 51 2HB GLU 51 2.593 -2.455 -8.320 369 HG2 GLU 51 1HG GLU 51 4.618 -3.992 -8.534 370 HG3 GLU 51 2HG GLU 51 4.192 -4.567 -6.922 371 H GLY 52 H GLY 52 3.217 -0.438 -9.198 372 HA2 GLY 52 1HA GLY 52 5.128 -1.049 -11.216 373 HA3 GLY 52 2HA GLY 52 3.830 0.130 -11.341 374 H GLN 53 H GLN 53 4.588 1.783 -9.170 375 HA GLN 53 HA GLN 53 7.086 2.926 -10.232 376 HB2 GLN 53 1HB GLN 53 4.527 4.185 -9.344 377 HB3 GLN 53 2HB GLN 53 6.027 5.080 -9.135 378 HG2 GLN 53 1HG GLN 53 5.397 5.829 -11.187 379 HG3 GLN 53 2HG GLN 53 6.381 4.443 -11.655 380 HE21 GLN 53 1HE2 GLN 53 3.033 5.004 -10.608 381 HE22 GLN 53 2HE2 GLN 53 2.304 4.075 -11.869 382 HA PRO 54 HA PRO 54 8.180 1.784 -5.954 383 HB2 PRO 54 1HB PRO 54 10.831 1.538 -6.483 384 HB3 PRO 54 2HB PRO 54 9.666 0.247 -6.796 385 HG2 PRO 54 1HG PRO 54 10.847 2.236 -8.697 386 HG3 PRO 54 2HG PRO 54 10.575 0.498 -8.922 387 HD2 PRO 54 1HD PRO 54 8.913 2.377 -9.942 388 HD3 PRO 54 2HD PRO 54 8.341 0.783 -9.410 389 H GLU 55 H GLU 55 9.595 4.174 -8.122 390 HA GLU 55 HA GLU 55 11.162 5.593 -6.313 391 HB2 GLU 55 1HB GLU 55 10.703 7.566 -7.853 392 HB3 GLU 55 2HB GLU 55 11.396 6.133 -8.598 393 HG2 GLU 55 1HG GLU 55 9.500 5.647 -9.766 394 HG3 GLU 55 2HG GLU 55 8.441 6.415 -8.586 395 H ARG 56 H ARG 56 7.765 5.302 -6.488 396 HA ARG 56 HA ARG 56 7.357 7.700 -4.848 397 HB2 ARG 56 1HB ARG 56 5.336 5.919 -6.222 398 HB3 ARG 56 2HB ARG 56 4.961 7.378 -5.314 399 HG2 ARG 56 1HG ARG 56 5.721 8.767 -6.957 400 HG3 ARG 56 2HG ARG 56 6.879 7.584 -7.573 401 HD2 ARG 56 1HD ARG 56 5.308 7.543 -9.242 402 HD3 ARG 56 2HD ARG 56 4.704 6.257 -8.199 403 HE ARG 56 HE ARG 56 2.858 7.535 -7.751 404 HH11 ARG 56 1HH1 ARG 56 5.323 9.544 -9.171 405 HH12 ARG 56 2HH1 ARG 56 4.287 10.922 -9.337 406 HH21 ARG 56 1HH2 ARG 56 1.484 9.343 -7.966 407 HH22 ARG 56 2HH2 ARG 56 2.103 10.807 -8.652 408 H LYS 57 H LYS 57 7.603 7.314 -2.744 409 HA LYS 57 HA LYS 57 6.155 5.046 -1.575 410 HB2 LYS 57 1HB LYS 57 8.118 4.812 0.044 411 HB3 LYS 57 2HB LYS 57 8.349 4.192 -1.586 412 HG2 LYS 57 1HG LYS 57 9.224 6.958 -0.849 413 HG3 LYS 57 2HG LYS 57 10.237 5.553 -0.508 414 HD2 LYS 57 1HD LYS 57 9.705 5.020 -3.050 415 HD3 LYS 57 2HD LYS 57 9.476 6.768 -3.113 416 HE2 LYS 57 1HE LYS 57 11.777 6.733 -1.795 417 HE3 LYS 57 2HE LYS 57 11.939 5.181 -2.615 418 HZ1 LYS 57 3HZ LYS 57 11.992 7.871 -3.709 419 HZ2 LYS 57 1HZ LYS 57 11.163 6.723 -4.633 420 HZ3 LYS 57 2HZ LYS 57 12.787 6.472 -4.232 421 H GLY 58 H GLY 58 4.709 5.864 -0.216 422 HA2 GLY 58 1HA GLY 58 5.534 7.759 1.811 423 HA3 GLY 58 2HA GLY 58 4.367 8.392 0.658 424 H VAL 59 H VAL 59 3.884 8.166 3.421 425 HA VAL 59 HA VAL 59 2.422 5.820 4.064 426 HB VAL 59 HB VAL 59 3.367 7.379 5.759 427 HG11 VAL 59 1HG1 VAL 59 2.735 9.477 4.648 428 HG12 VAL 59 2HG1 VAL 59 1.039 9.142 5.000 429 HG13 VAL 59 3HG1 VAL 59 2.177 9.420 6.318 430 HG21 VAL 59 3HG2 VAL 59 1.813 6.798 7.328 431 HG22 VAL 59 1HG2 VAL 59 0.451 7.291 6.322 432 HG23 VAL 59 2HG2 VAL 59 1.277 5.766 6.001 433 H PHE 60 H PHE 60 0.239 5.406 4.036 434 HA PHE 60 HA PHE 60 -1.554 7.419 2.910 435 HB2 PHE 60 1HB PHE 60 -2.493 5.767 1.315 436 HB3 PHE 60 2HB PHE 60 -0.815 6.169 0.964 437 HD1 PHE 60 2HD PHE 60 0.975 4.562 1.898 438 HD2 PHE 60 1HD PHE 60 -3.142 3.557 1.498 439 HE1 PHE 60 2HE PHE 60 1.558 2.172 1.947 440 HE2 PHE 60 1HE PHE 60 -2.565 1.165 1.547 441 HZ PHE 60 HZ PHE 60 -0.213 0.470 1.770 442 HA PRO 61 HA PRO 61 -4.371 5.874 5.905 443 HB2 PRO 61 1HB PRO 61 -6.732 6.519 4.730 444 HB3 PRO 61 2HB PRO 61 -5.657 7.723 5.452 445 HG2 PRO 61 1HG PRO 61 -5.982 6.955 2.576 446 HG3 PRO 61 2HG PRO 61 -5.822 8.569 3.293 447 HD2 PRO 61 1HD PRO 61 -3.750 7.289 2.109 448 HD3 PRO 61 2HD PRO 61 -3.531 8.398 3.477 449 H VAL 62 H VAL 62 -4.585 3.741 6.192 450 HA VAL 62 HA VAL 62 -4.970 1.814 4.227 451 HB VAL 62 HB VAL 62 -5.765 1.652 7.138 452 HG11 VAL 62 1HG1 VAL 62 -6.571 -0.364 6.672 453 HG12 VAL 62 2HG1 VAL 62 -6.116 -0.190 4.975 454 HG13 VAL 62 3HG1 VAL 62 -4.964 -0.853 6.136 455 HG21 VAL 62 3HG2 VAL 62 -3.244 0.587 5.902 456 HG22 VAL 62 1HG2 VAL 62 -3.349 2.231 6.531 457 HG23 VAL 62 2HG2 VAL 62 -3.611 0.858 7.606 458 H SER 63 H SER 63 -7.265 3.869 5.809 459 HA SER 63 HA SER 63 -9.603 2.350 5.351 460 HB2 SER 63 1HB SER 63 -9.212 5.333 5.687 461 HB3 SER 63 2HB SER 63 -10.787 4.540 5.650 462 HG SER 63 HG SER 63 -9.674 4.948 7.781 463 H PHE 64 H PHE 64 -7.596 4.183 3.268 464 HA PHE 64 HA PHE 64 -9.664 4.500 1.240 465 HB2 PHE 64 1HB PHE 64 -6.845 5.471 1.546 466 HB3 PHE 64 2HB PHE 64 -7.594 5.457 -0.047 467 HD1 PHE 64 2HD PHE 64 -8.845 6.331 3.359 468 HD2 PHE 64 1HD PHE 64 -8.197 7.582 -0.658 469 HE1 PHE 64 2HE PHE 64 -9.931 8.480 3.857 470 HE2 PHE 64 1HE PHE 64 -9.282 9.735 -0.165 471 HZ PHE 64 HZ PHE 64 -10.152 10.186 2.094 472 H VAL 65 H VAL 65 -7.194 2.314 2.120 473 HA VAL 65 HA VAL 65 -7.296 1.043 -0.538 474 HB VAL 65 HB VAL 65 -5.180 -0.006 -0.061 475 HG11 VAL 65 1HG1 VAL 65 -3.729 1.990 0.132 476 HG12 VAL 65 2HG1 VAL 65 -5.047 2.202 -1.021 477 HG13 VAL 65 3HG1 VAL 65 -5.146 2.940 0.577 478 HG21 VAL 65 3HG2 VAL 65 -4.424 -0.359 2.000 479 HG22 VAL 65 1HG2 VAL 65 -4.431 1.369 2.349 480 HG23 VAL 65 2HG2 VAL 65 -5.886 0.408 2.618 481 H HIS 66 H HIS 66 -7.289 -1.306 -0.583 482 HA HIS 66 HA HIS 66 -8.424 -2.538 1.835 483 HB2 HIS 66 1HB HIS 66 -10.204 -3.490 0.700 484 HB3 HIS 66 2HB HIS 66 -10.075 -1.931 -0.110 485 HD1 HIS 66 1HD HIS 66 -10.803 -5.157 -1.017 486 HD2 HIS 66 2HD HIS 66 -7.959 -2.468 -2.408 487 HE1 HIS 66 1HE HIS 66 -10.207 -5.945 -3.329 488 HE2 HIS 66 2HE HIS 66 -8.422 -4.353 -4.117 489 H ILE 67 H ILE 67 -7.262 -4.220 2.470 490 HA ILE 67 HA ILE 67 -5.053 -5.237 1.138 491 HB ILE 67 HB ILE 67 -6.767 -6.589 3.225 492 HG12 ILE 67 1HG1 ILE 67 -4.147 -5.100 3.496 493 HG13 ILE 67 2HG1 ILE 67 -5.726 -4.417 3.870 494 HG21 ILE 67 1HG2 ILE 67 -3.930 -7.269 2.488 495 HG22 ILE 67 2HG2 ILE 67 -5.000 -8.133 3.589 496 HG23 ILE 67 3HG2 ILE 67 -5.331 -8.135 1.857 497 HD11 ILE 67 3HD1 ILE 67 -5.715 -6.719 5.345 498 HD12 ILE 67 1HD1 ILE 67 -4.034 -6.194 5.432 499 HD13 ILE 67 2HD1 ILE 67 -5.325 -5.108 5.946 500 H LEU 68 H LEU 68 -4.837 -6.500 -0.580 501 HA LEU 68 HA LEU 68 -7.073 -7.651 -1.902 502 HB2 LEU 68 1HB LEU 68 -4.196 -8.346 -2.418 503 HB3 LEU 68 2HB LEU 68 -5.547 -8.378 -3.549 504 HG LEU 68 HG LEU 68 -4.561 -5.807 -2.350 505 HD11 LEU 68 1HD1 LEU 68 -2.790 -7.256 -3.616 506 HD12 LEU 68 2HD1 LEU 68 -2.944 -5.532 -3.956 507 HD13 LEU 68 3HD1 LEU 68 -3.669 -6.714 -5.046 508 HD21 LEU 68 3HD2 LEU 68 -6.568 -5.369 -3.376 509 HD22 LEU 68 1HD2 LEU 68 -6.349 -6.630 -4.589 510 HD23 LEU 68 2HD2 LEU 68 -5.452 -5.117 -4.719 511 H SER 69 H SER 69 -7.833 -9.700 -1.935 512 HA SER 69 HA SER 69 -6.355 -11.763 -0.459 513 HB2 SER 69 1HB SER 69 -9.194 -10.877 -0.003 514 HB3 SER 69 2HB SER 69 -8.685 -12.520 0.389 515 HG SER 69 HG SER 69 -8.155 -10.161 1.680 516 H ASP 70 H ASP 70 -6.401 -13.750 -1.361 517 HA ASP 70 HA ASP 70 -7.609 -13.994 -3.982 518 HB2 ASP 70 1HB ASP 70 -5.751 -15.747 -2.381 519 HB3 ASP 70 2HB ASP 70 -6.445 -16.268 -3.914 520 H SER 71 H SER 71 -8.919 -15.822 -4.604 521 HA SER 71 HA SER 71 -10.702 -16.664 -2.424 522 HB2 SER 71 1HB SER 71 -11.660 -15.359 -4.364 523 HB3 SER 71 2HB SER 71 -11.283 -16.743 -5.391 524 HG SER 71 HG SER 71 -12.983 -16.754 -3.116 525 H GLY 72 H GLY 72 -9.421 -18.419 -1.731 526 HA2 GLY 72 1HA GLY 72 -9.243 -20.648 -3.662 527 HA3 GLY 72 2HA GLY 72 -8.143 -20.423 -2.309 528 HA PRO 73 HA PRO 73 -11.570 -23.421 -1.177 529 HB2 PRO 73 1HB PRO 73 -9.937 -25.505 -0.575 530 HB3 PRO 73 2HB PRO 73 -10.569 -25.218 -2.201 531 HG2 PRO 73 1HG PRO 73 -7.884 -24.538 -1.064 532 HG3 PRO 73 2HG PRO 73 -8.286 -25.225 -2.649 533 HD2 PRO 73 1HD PRO 73 -7.714 -22.602 -2.302 534 HD3 PRO 73 2HD PRO 73 -8.857 -23.176 -3.534 535 H SER 74 H SER 74 -12.168 -22.583 0.751 536 HA SER 74 HA SER 74 -10.355 -23.024 3.028 537 HB2 SER 74 1HB SER 74 -11.261 -20.927 4.040 538 HB3 SER 74 2HB SER 74 -10.339 -20.645 2.564 539 HG SER 74 HG SER 74 -13.080 -21.046 2.293 540 H SER 75 H SER 75 -11.212 -24.394 4.429 541 HA SER 75 HA SER 75 -13.570 -25.663 4.386 542 HB2 SER 75 1HB SER 75 -11.805 -24.859 6.652 543 HB3 SER 75 2HB SER 75 -13.379 -25.555 7.039 544 HG SER 75 HG SER 75 -12.806 -27.422 6.071 545 H GLY 76 H GLY 76 -15.651 -25.146 4.471 546 HA2 GLY 76 1HA GLY 76 -17.582 -23.954 4.818 547 HA3 GLY 76 2HA GLY 76 -16.840 -23.424 6.320 Start of MODEL 9 1 H1 GLY 1 H GLY 1 28.267 -14.162 4.520 2 HA2 GLY 1 1HA GLY 1 25.441 -14.448 3.712 3 HA3 GLY 1 2HA GLY 1 26.457 -15.774 4.259 4 H SER 2 H SER 2 23.993 -13.817 5.154 5 HA SER 2 HA SER 2 24.760 -13.582 7.959 6 HB2 SER 2 1HB SER 2 22.483 -12.522 6.309 7 HB3 SER 2 2HB SER 2 22.378 -12.534 8.070 8 HG SER 2 HG SER 2 23.241 -10.574 7.373 9 H SER 3 H SER 3 24.802 -15.811 8.481 10 HA SER 3 HA SER 3 22.699 -17.611 8.050 11 HB2 SER 3 1HB SER 3 24.703 -17.595 10.321 12 HB3 SER 3 2HB SER 3 23.737 -18.976 9.805 13 HG SER 3 HG SER 3 25.297 -17.700 7.878 14 H GLY 4 H GLY 4 20.678 -16.925 8.569 15 HA2 GLY 4 1HA GLY 4 19.686 -17.219 11.131 16 HA3 GLY 4 2HA GLY 4 20.057 -15.509 10.964 17 H SER 5 H SER 5 17.894 -18.052 10.153 18 HA SER 5 HA SER 5 16.506 -16.983 7.995 19 HB2 SER 5 1HB SER 5 16.104 -19.252 8.793 20 HB3 SER 5 2HB SER 5 15.440 -18.629 10.303 21 HG SER 5 HG SER 5 13.851 -17.540 8.905 22 H SER 6 H SER 6 16.020 -14.853 8.004 23 HA SER 6 HA SER 6 15.138 -13.382 10.233 24 HB2 SER 6 1HB SER 6 14.911 -12.872 7.264 25 HB3 SER 6 2HB SER 6 14.372 -11.710 8.478 26 HG SER 6 HG SER 6 16.578 -11.438 7.684 27 H GLY 7 H GLY 7 13.125 -12.798 10.958 28 HA2 GLY 7 1HA GLY 7 10.885 -14.357 9.835 29 HA3 GLY 7 2HA GLY 7 11.011 -13.854 11.513 30 H ASN 8 H ASN 8 10.186 -12.888 8.276 31 HA ASN 8 HA ASN 8 8.745 -10.593 9.377 32 HB2 ASN 8 1HB ASN 8 10.865 -10.498 7.260 33 HB3 ASN 8 2HB ASN 8 9.524 -9.358 7.197 34 HD21 ASN 8 1HD2 ASN 8 9.293 -7.831 8.844 35 HD22 ASN 8 2HD2 ASN 8 10.602 -7.426 9.897 36 H LYS 9 H LYS 9 7.264 -9.629 7.663 37 HA LYS 9 HA LYS 9 6.374 -11.602 5.694 38 HB2 LYS 9 1HB LYS 9 4.065 -11.468 6.411 39 HB3 LYS 9 2HB LYS 9 5.063 -11.992 7.761 40 HG2 LYS 9 1HG LYS 9 4.925 -9.874 8.805 41 HG3 LYS 9 2HG LYS 9 4.228 -9.133 7.362 42 HD2 LYS 9 1HD LYS 9 2.342 -9.432 8.638 43 HD3 LYS 9 2HD LYS 9 2.359 -10.945 7.728 44 HE2 LYS 9 1HE LYS 9 3.760 -10.777 10.363 45 HE3 LYS 9 2HE LYS 9 2.008 -10.971 10.315 46 HZ1 LYS 9 3HZ LYS 9 3.387 -12.770 8.557 47 HZ2 LYS 9 1HZ LYS 9 2.201 -13.093 9.719 48 HZ3 LYS 9 2HZ LYS 9 3.826 -12.980 10.177 49 H VAL 10 H VAL 10 4.740 -10.682 4.185 50 HA VAL 10 HA VAL 10 5.284 -7.820 3.741 51 HB VAL 10 HB VAL 10 4.948 -8.174 1.390 52 HG11 VAL 10 1HG1 VAL 10 6.963 -9.116 0.980 53 HG12 VAL 10 2HG1 VAL 10 7.094 -9.062 2.739 54 HG13 VAL 10 3HG1 VAL 10 6.607 -10.555 1.936 55 HG21 VAL 10 3HG2 VAL 10 4.757 -11.016 1.216 56 HG22 VAL 10 1HG2 VAL 10 3.451 -10.413 2.238 57 HG23 VAL 10 2HG2 VAL 10 3.647 -9.792 0.599 58 H ARG 11 H ARG 11 3.563 -6.554 2.750 59 HA ARG 11 HA ARG 11 0.861 -7.606 3.194 60 HB2 ARG 11 1HB ARG 11 2.143 -5.296 4.549 61 HB3 ARG 11 2HB ARG 11 0.477 -5.084 4.029 62 HG2 ARG 11 1HG ARG 11 1.163 -7.547 5.539 63 HG3 ARG 11 2HG ARG 11 1.088 -6.018 6.419 64 HD2 ARG 11 1HD ARG 11 -1.184 -5.669 5.388 65 HD3 ARG 11 2HD ARG 11 -1.092 -7.332 4.809 66 HE ARG 11 HE ARG 11 -1.631 -6.462 7.487 67 HH11 ARG 11 1HH1 ARG 11 -0.358 -9.050 5.538 68 HH12 ARG 11 2HH1 ARG 11 -0.675 -10.274 6.723 69 HH21 ARG 11 1HH2 ARG 11 -2.054 -8.063 9.056 70 HH22 ARG 11 2HH2 ARG 11 -1.641 -9.711 8.724 71 H ARG 12 H ARG 12 -0.048 -7.519 1.248 72 HA ARG 12 HA ARG 12 0.567 -5.258 -0.519 73 HB2 ARG 12 1HB ARG 12 0.763 -7.756 -1.216 74 HB3 ARG 12 2HB ARG 12 -0.989 -7.689 -1.346 75 HG2 ARG 12 1HG ARG 12 -0.784 -5.846 -2.955 76 HG3 ARG 12 2HG ARG 12 0.974 -5.968 -2.847 77 HD2 ARG 12 1HD ARG 12 -0.598 -8.409 -3.512 78 HD3 ARG 12 2HD ARG 12 -0.366 -7.185 -4.760 79 HE ARG 12 HE ARG 12 1.877 -7.725 -4.850 80 HH11 ARG 12 1HH1 ARG 12 0.352 -9.341 -2.170 81 HH12 ARG 12 2HH1 ARG 12 1.697 -10.391 -1.869 82 HH21 ARG 12 1HH2 ARG 12 3.654 -9.102 -4.464 83 HH22 ARG 12 2HH2 ARG 12 3.575 -10.254 -3.174 84 H VAL 13 H VAL 13 -1.057 -4.018 -1.465 85 HA VAL 13 HA VAL 13 -3.829 -4.489 -0.758 86 HB VAL 13 HB VAL 13 -4.174 -2.291 0.252 87 HG11 VAL 13 1HG1 VAL 13 -3.575 -4.354 1.605 88 HG12 VAL 13 2HG1 VAL 13 -1.961 -3.658 1.761 89 HG13 VAL 13 3HG1 VAL 13 -3.361 -2.797 2.405 90 HG21 VAL 13 3HG2 VAL 13 -2.498 -0.739 0.663 91 HG22 VAL 13 1HG2 VAL 13 -1.212 -1.935 0.498 92 HG23 VAL 13 2HG2 VAL 13 -2.069 -1.357 -0.932 93 H LYS 14 H LYS 14 -5.122 -2.397 -1.547 94 HA LYS 14 HA LYS 14 -3.959 -1.286 -3.976 95 HB2 LYS 14 1HB LYS 14 -4.939 -3.272 -4.868 96 HB3 LYS 14 2HB LYS 14 -6.410 -3.045 -3.932 97 HG2 LYS 14 1HG LYS 14 -6.578 -0.821 -5.303 98 HG3 LYS 14 2HG LYS 14 -5.513 -1.677 -6.419 99 HD2 LYS 14 1HD LYS 14 -7.913 -3.109 -5.406 100 HD3 LYS 14 2HD LYS 14 -8.153 -1.832 -6.602 101 HE2 LYS 14 1HE LYS 14 -6.949 -2.955 -8.230 102 HE3 LYS 14 2HE LYS 14 -6.075 -3.934 -7.052 103 HZ1 LYS 14 3HZ LYS 14 -8.739 -4.567 -6.733 104 HZ2 LYS 14 1HZ LYS 14 -7.543 -5.527 -7.447 105 HZ3 LYS 14 2HZ LYS 14 -8.497 -4.511 -8.406 106 H THR 15 H THR 15 -4.920 0.626 -4.659 107 HA THR 15 HA THR 15 -6.375 2.048 -2.626 108 HB THR 15 HB THR 15 -6.226 3.980 -4.132 109 HG1 THR 15 1HG THR 15 -6.362 3.206 -6.167 110 HG21 THR 15 3HG2 THR 15 -4.316 3.853 -2.832 111 HG22 THR 15 1HG2 THR 15 -3.638 3.860 -4.460 112 HG23 THR 15 2HG2 THR 15 -3.786 2.343 -3.573 113 H ILE 16 H ILE 16 -8.480 1.608 -2.396 114 HA ILE 16 HA ILE 16 -10.140 0.944 -4.670 115 HB ILE 16 HB ILE 16 -11.975 0.873 -2.918 116 HG12 ILE 16 1HG1 ILE 16 -9.674 0.973 -0.968 117 HG13 ILE 16 2HG1 ILE 16 -10.660 2.384 -1.339 118 HG21 ILE 16 1HG2 ILE 16 -11.513 -1.309 -2.549 119 HG22 ILE 16 2HG2 ILE 16 -10.235 -0.997 -3.720 120 HG23 ILE 16 3HG2 ILE 16 -9.873 -0.982 -1.994 121 HD11 ILE 16 3HD1 ILE 16 -11.956 -0.150 -0.445 122 HD12 ILE 16 1HD1 ILE 16 -11.213 0.935 0.729 123 HD13 ILE 16 2HD1 ILE 16 -12.523 1.513 -0.302 124 H TYR 17 H TYR 17 -9.160 3.769 -3.133 125 HA TYR 17 HA TYR 17 -11.333 5.262 -4.426 126 HB2 TYR 17 1HB TYR 17 -10.222 5.845 -1.674 127 HB3 TYR 17 2HB TYR 17 -11.410 6.824 -2.527 128 HD1 TYR 17 1HD TYR 17 -13.213 4.780 -3.623 129 HD2 TYR 17 2HD TYR 17 -11.339 5.011 0.190 130 HE1 TYR 17 1HE TYR 17 -15.026 3.428 -2.655 131 HE2 TYR 17 2HE TYR 17 -13.146 3.659 1.167 132 HH TYR 17 HH TYR 17 -15.375 2.995 0.759 133 H ASP 18 H ASP 18 -10.781 7.554 -4.802 134 HA ASP 18 HA ASP 18 -8.044 7.759 -5.745 135 HB2 ASP 18 1HB ASP 18 -8.912 9.985 -6.665 136 HB3 ASP 18 2HB ASP 18 -9.622 8.515 -7.327 137 H CYS 19 H CYS 19 -6.468 8.908 -4.819 138 HA CYS 19 HA CYS 19 -7.163 10.916 -2.798 139 HB2 CYS 19 1HB CYS 19 -6.481 8.533 -1.898 140 HB3 CYS 19 2HB CYS 19 -4.853 9.090 -2.266 141 HG CYS 19 HG CYS 19 -5.035 11.346 -0.591 142 H GLN 20 H GLN 20 -6.303 12.761 -3.464 143 HA GLN 20 HA GLN 20 -3.808 12.701 -5.005 144 HB2 GLN 20 1HB GLN 20 -6.016 14.733 -4.765 145 HB3 GLN 20 2HB GLN 20 -4.459 15.137 -5.477 146 HG2 GLN 20 1HG GLN 20 -4.895 13.083 -6.988 147 HG3 GLN 20 2HG GLN 20 -6.572 13.284 -6.482 148 HE21 GLN 20 1HE2 GLN 20 -4.608 13.907 -8.922 149 HE22 GLN 20 2HE2 GLN 20 -5.262 15.394 -9.506 150 H ALA 21 H ALA 21 -2.560 12.342 -3.049 151 HA ALA 21 HA ALA 21 -2.409 13.708 -0.748 152 HB1 ALA 21 3HB ALA 21 -0.818 11.964 -1.401 153 HB2 ALA 21 1HB ALA 21 -0.018 13.104 -2.484 154 HB3 ALA 21 2HB ALA 21 0.001 13.379 -0.741 155 H ASP 22 H ASP 22 -1.872 15.692 0.006 156 HA ASP 22 HA ASP 22 -1.530 17.803 -1.988 157 HB2 ASP 22 1HB ASP 22 -3.312 17.906 -0.175 158 HB3 ASP 22 2HB ASP 22 -2.000 18.161 0.972 159 H ASN 23 H ASN 23 0.083 16.337 0.759 160 HA ASN 23 HA ASN 23 2.326 18.207 0.460 161 HB2 ASN 23 1HB ASN 23 1.308 16.517 2.693 162 HB3 ASN 23 2HB ASN 23 3.044 16.806 2.617 163 HD21 ASN 23 1HD2 ASN 23 0.236 17.901 3.880 164 HD22 ASN 23 2HD2 ASN 23 0.664 19.548 4.173 165 H ASP 24 H ASP 24 4.369 17.525 -0.050 166 HA ASP 24 HA ASP 24 4.745 15.396 -1.745 167 HB2 ASP 24 1HB ASP 24 7.104 15.746 -1.511 168 HB3 ASP 24 2HB ASP 24 6.324 17.319 -1.371 169 H ASP 25 H ASP 25 5.125 15.482 1.762 170 HA ASP 25 HA ASP 25 6.323 13.019 2.184 171 HB2 ASP 25 1HB ASP 25 4.195 14.302 3.911 172 HB3 ASP 25 2HB ASP 25 5.363 13.089 4.426 173 H GLU 26 H GLU 26 2.910 13.792 1.689 174 HA GLU 26 HA GLU 26 2.026 11.097 2.102 175 HB2 GLU 26 1HB GLU 26 0.755 13.648 1.212 176 HB3 GLU 26 2HB GLU 26 -0.076 12.135 0.881 177 HG2 GLU 26 1HG GLU 26 0.911 12.632 3.638 178 HG3 GLU 26 2HG GLU 26 -0.520 13.498 3.081 179 H LEU 27 H LEU 27 1.319 9.614 0.561 180 HA LEU 27 HA LEU 27 2.668 9.821 -2.001 181 HB2 LEU 27 1HB LEU 27 2.808 7.753 -0.697 182 HB3 LEU 27 2HB LEU 27 1.058 7.572 -0.798 183 HG LEU 27 HG LEU 27 1.327 7.397 -3.295 184 HD11 LEU 27 1HD1 LEU 27 4.134 6.596 -2.999 185 HD12 LEU 27 2HD1 LEU 27 3.835 8.329 -2.873 186 HD13 LEU 27 3HD1 LEU 27 3.325 7.448 -4.314 187 HD21 LEU 27 3HD2 LEU 27 2.892 5.221 -1.982 188 HD22 LEU 27 1HD2 LEU 27 1.617 5.116 -3.195 189 HD23 LEU 27 2HD2 LEU 27 1.212 5.488 -1.520 190 H THR 28 H THR 28 1.699 9.933 -3.977 191 HA THR 28 HA THR 28 -1.169 10.561 -3.968 192 HB THR 28 HB THR 28 0.983 11.203 -5.990 193 HG1 THR 28 1HG THR 28 -0.630 13.084 -4.650 194 HG21 THR 28 3HG2 THR 28 -1.991 11.691 -6.067 195 HG22 THR 28 1HG2 THR 28 -1.012 10.809 -7.238 196 HG23 THR 28 2HG2 THR 28 -0.839 12.558 -7.082 197 H PHE 29 H PHE 29 -2.593 9.223 -4.867 198 HA PHE 29 HA PHE 29 -1.809 7.455 -7.033 199 HB2 PHE 29 1HB PHE 29 -2.767 5.456 -5.864 200 HB3 PHE 29 2HB PHE 29 -1.271 6.055 -5.155 201 HD1 PHE 29 2HD PHE 29 -4.911 5.807 -4.725 202 HD2 PHE 29 1HD PHE 29 -1.217 6.951 -2.946 203 HE1 PHE 29 2HE PHE 29 -6.018 5.963 -2.534 204 HE2 PHE 29 1HE PHE 29 -2.319 7.107 -0.752 205 HZ PHE 29 HZ PHE 29 -4.722 6.614 -0.543 206 H ILE 30 H ILE 30 -3.785 6.125 -7.752 207 HA ILE 30 HA ILE 30 -6.251 7.684 -7.367 208 HB ILE 30 HB ILE 30 -6.792 7.357 -9.758 209 HG12 ILE 30 1HG1 ILE 30 -3.919 6.683 -10.275 210 HG13 ILE 30 2HG1 ILE 30 -5.048 5.396 -9.867 211 HG21 ILE 30 1HG2 ILE 30 -4.234 8.838 -9.168 212 HG22 ILE 30 2HG2 ILE 30 -5.195 9.040 -10.632 213 HG23 ILE 30 3HG2 ILE 30 -5.876 9.471 -9.064 214 HD11 ILE 30 3HD1 ILE 30 -5.637 5.308 -11.991 215 HD12 ILE 30 1HD1 ILE 30 -6.292 6.939 -11.852 216 HD13 ILE 30 2HD1 ILE 30 -4.622 6.701 -12.366 217 H GLU 31 H GLU 31 -8.210 6.476 -8.159 218 HA GLU 31 HA GLU 31 -8.411 4.003 -6.859 219 HB2 GLU 31 1HB GLU 31 -10.339 5.465 -7.261 220 HB3 GLU 31 2HB GLU 31 -10.207 5.176 -8.989 221 HG2 GLU 31 1HG GLU 31 -10.440 2.662 -8.238 222 HG3 GLU 31 2HG GLU 31 -11.213 3.398 -6.836 223 H GLY 32 H GLY 32 -7.390 2.204 -7.448 224 HA2 GLY 32 1HA GLY 32 -7.581 0.322 -9.041 225 HA3 GLY 32 2HA GLY 32 -7.379 1.507 -10.321 226 H GLU 33 H GLU 33 -5.500 1.853 -7.442 227 HA GLU 33 HA GLU 33 -3.124 0.961 -8.937 228 HB2 GLU 33 1HB GLU 33 -3.386 3.056 -6.776 229 HB3 GLU 33 2HB GLU 33 -1.854 2.512 -7.443 230 HG2 GLU 33 1HG GLU 33 -3.045 3.172 -9.717 231 HG3 GLU 33 2HG GLU 33 -3.939 4.241 -8.636 232 H VAL 34 H VAL 34 -1.338 0.104 -7.610 233 HA VAL 34 HA VAL 34 -2.363 -1.408 -5.295 234 HB VAL 34 HB VAL 34 -0.247 -2.255 -7.279 235 HG11 VAL 34 1HG1 VAL 34 0.122 -4.168 -6.036 236 HG12 VAL 34 2HG1 VAL 34 -0.066 -2.945 -4.778 237 HG13 VAL 34 3HG1 VAL 34 -1.406 -4.026 -5.167 238 HG21 VAL 34 3HG2 VAL 34 -2.811 -2.295 -7.834 239 HG22 VAL 34 1HG2 VAL 34 -1.779 -3.664 -8.249 240 HG23 VAL 34 2HG2 VAL 34 -2.796 -3.729 -6.809 241 H ILE 35 H ILE 35 -1.342 -1.150 -3.413 242 HA ILE 35 HA ILE 35 1.271 0.215 -3.434 243 HB ILE 35 HB ILE 35 -0.894 0.348 -1.332 244 HG12 ILE 35 1HG1 ILE 35 0.199 2.492 -3.165 245 HG13 ILE 35 2HG1 ILE 35 -1.336 1.662 -3.391 246 HG21 ILE 35 1HG2 ILE 35 0.619 2.086 -0.323 247 HG22 ILE 35 2HG2 ILE 35 1.195 0.424 -0.210 248 HG23 ILE 35 3HG2 ILE 35 1.879 1.514 -1.416 249 HD11 ILE 35 3HD1 ILE 35 -1.698 2.551 -0.904 250 HD12 ILE 35 1HD1 ILE 35 -0.587 3.788 -1.490 251 HD13 ILE 35 2HD1 ILE 35 -2.108 3.496 -2.335 252 H ILE 36 H ILE 36 2.936 -0.831 -2.562 253 HA ILE 36 HA ILE 36 2.445 -3.375 -1.221 254 HB ILE 36 HB ILE 36 5.019 -2.145 -2.211 255 HG12 ILE 36 1HG1 ILE 36 3.597 -2.792 -4.052 256 HG13 ILE 36 2HG1 ILE 36 4.886 -3.982 -3.901 257 HG21 ILE 36 1HG2 ILE 36 6.024 -4.330 -1.770 258 HG22 ILE 36 2HG2 ILE 36 5.409 -3.594 -0.291 259 HG23 ILE 36 3HG2 ILE 36 4.504 -4.890 -1.073 260 HD11 ILE 36 3HD1 ILE 36 2.800 -5.085 -4.346 261 HD12 ILE 36 1HD1 ILE 36 3.328 -5.467 -2.707 262 HD13 ILE 36 2HD1 ILE 36 2.043 -4.286 -2.968 263 H VAL 37 H VAL 37 2.043 -3.137 0.896 264 HA VAL 37 HA VAL 37 3.117 -1.071 2.515 265 HB VAL 37 HB VAL 37 1.899 -3.697 3.382 266 HG11 VAL 37 1HG1 VAL 37 2.283 -3.065 5.474 267 HG12 VAL 37 2HG1 VAL 37 3.176 -1.666 4.874 268 HG13 VAL 37 3HG1 VAL 37 1.446 -1.539 5.191 269 HG21 VAL 37 3HG2 VAL 37 -0.183 -2.784 3.198 270 HG22 VAL 37 1HG2 VAL 37 0.397 -1.137 3.444 271 HG23 VAL 37 2HG2 VAL 37 0.615 -1.925 1.881 272 H THR 38 H THR 38 5.083 -0.905 3.345 273 HA THR 38 HA THR 38 6.634 -3.370 3.805 274 HB THR 38 HB THR 38 8.685 -2.041 3.366 275 HG1 THR 38 1HG THR 38 6.845 -0.063 2.448 276 HG21 THR 38 3HG2 THR 38 7.696 -3.415 1.592 277 HG22 THR 38 1HG2 THR 38 8.453 -1.967 0.933 278 HG23 THR 38 2HG2 THR 38 6.698 -2.051 1.090 279 H GLY 39 H GLY 39 6.151 -0.003 4.833 280 HA2 GLY 39 1HA GLY 39 7.025 -0.823 7.534 281 HA3 GLY 39 2HA GLY 39 7.486 0.723 6.839 282 H GLU 40 H GLU 40 4.651 -1.205 7.756 283 HA GLU 40 HA GLU 40 2.719 0.779 7.603 284 HB2 GLU 40 1HB GLU 40 1.376 -0.575 9.048 285 HB3 GLU 40 2HB GLU 40 2.316 -1.656 8.029 286 HG2 GLU 40 1HG GLU 40 2.687 -1.035 10.935 287 HG3 GLU 40 2HG GLU 40 2.397 -2.595 10.167 288 H GLU 41 H GLU 41 2.842 2.741 8.471 289 HA GLU 41 HA GLU 41 4.416 3.450 10.683 290 HB2 GLU 41 1HB GLU 41 3.274 4.892 8.788 291 HB3 GLU 41 2HB GLU 41 1.992 5.048 9.980 292 HG2 GLU 41 1HG GLU 41 3.497 6.044 11.557 293 HG3 GLU 41 2HG GLU 41 4.871 5.749 10.492 294 H ASP 42 H ASP 42 0.871 3.127 10.456 295 HA ASP 42 HA ASP 42 0.825 2.305 13.265 296 HB2 ASP 42 1HB ASP 42 -0.917 4.486 12.097 297 HB3 ASP 42 2HB ASP 42 -1.128 3.777 13.695 298 H GLN 43 H GLN 43 -1.752 1.908 13.731 299 HA GLN 43 HA GLN 43 -2.374 -0.341 12.071 300 HB2 GLN 43 1HB GLN 43 -3.916 0.946 14.329 301 HB3 GLN 43 2HB GLN 43 -4.356 -0.570 13.557 302 HG2 GLN 43 1HG GLN 43 -3.246 -1.250 15.466 303 HG3 GLN 43 2HG GLN 43 -2.002 -1.353 14.221 304 HE21 GLN 43 1HE2 GLN 43 -0.806 -1.318 16.397 305 HE22 GLN 43 2HE2 GLN 43 -0.258 0.234 16.920 306 H GLU 44 H GLU 44 -3.030 2.952 11.861 307 HA GLU 44 HA GLU 44 -5.437 2.495 10.232 308 HB2 GLU 44 1HB GLU 44 -4.401 5.002 11.561 309 HB3 GLU 44 2HB GLU 44 -5.782 4.966 10.474 310 HG2 GLU 44 1HG GLU 44 -5.546 3.555 13.119 311 HG3 GLU 44 2HG GLU 44 -6.530 4.973 12.762 312 H TRP 45 H TRP 45 -2.330 4.197 10.275 313 HA TRP 45 HA TRP 45 -2.549 4.561 7.364 314 HB2 TRP 45 1HB TRP 45 -0.772 5.971 9.368 315 HB3 TRP 45 2HB TRP 45 -0.767 6.262 7.630 316 HD1 TRP 45 HD TRP 45 -3.290 6.476 10.575 317 HE1 TRP 45 1HE TRP 45 -4.867 8.458 10.118 318 HE3 TRP 45 3HE TRP 45 -1.519 7.884 5.991 319 HZ2 TRP 45 2HZ TRP 45 -5.304 10.366 8.083 320 HZ3 TRP 45 3HZ TRP 45 -2.571 9.797 4.856 321 HH2 TRP 45 HH TRP 45 -4.425 11.009 5.882 322 H TRP 46 H TRP 46 -1.163 3.568 6.018 323 HA TRP 46 HA TRP 46 1.055 2.052 7.229 324 HB2 TRP 46 1HB TRP 46 -0.835 1.315 5.004 325 HB3 TRP 46 2HB TRP 46 0.727 0.521 5.183 326 HD1 TRP 46 HD TRP 46 -0.131 1.033 8.594 327 HE1 TRP 46 1HE TRP 46 -1.374 -0.973 9.619 328 HE3 TRP 46 3HE TRP 46 -1.493 -1.363 4.288 329 HZ2 TRP 46 2HZ TRP 46 -2.750 -3.269 8.721 330 HZ3 TRP 46 3HZ TRP 46 -2.771 -3.459 4.459 331 HH2 TRP 46 HH TRP 46 -3.384 -4.391 6.630 332 H ILE 47 H ILE 47 2.861 1.589 5.712 333 HA ILE 47 HA ILE 47 3.239 3.803 3.801 334 HB ILE 47 HB ILE 47 5.451 2.535 5.410 335 HG12 ILE 47 1HG1 ILE 47 4.059 5.170 5.938 336 HG13 ILE 47 2HG1 ILE 47 3.808 3.702 6.876 337 HG21 ILE 47 1HG2 ILE 47 5.626 3.946 3.123 338 HG22 ILE 47 2HG2 ILE 47 5.687 5.254 4.304 339 HG23 ILE 47 3HG2 ILE 47 6.870 3.948 4.373 340 HD11 ILE 47 3HD1 ILE 47 6.186 5.493 6.764 341 HD12 ILE 47 1HD1 ILE 47 5.321 4.855 8.163 342 HD13 ILE 47 2HD1 ILE 47 6.377 3.800 7.222 343 H GLY 48 H GLY 48 3.819 3.254 1.790 344 HA2 GLY 48 1HA GLY 48 5.340 0.889 1.210 345 HA3 GLY 48 2HA GLY 48 3.651 0.731 0.752 346 H HIS 49 H HIS 49 5.271 0.460 -1.272 347 HA HIS 49 HA HIS 49 5.252 3.071 -2.641 348 HB2 HIS 49 1HB HIS 49 7.128 2.163 -4.040 349 HB3 HIS 49 2HB HIS 49 7.543 2.412 -2.346 350 HD1 HIS 49 1HD HIS 49 6.352 -0.464 -4.542 351 HD2 HIS 49 2HD HIS 49 8.783 0.277 -1.255 352 HE1 HIS 49 1HE HIS 49 7.403 -2.677 -3.970 353 HE2 HIS 49 2HE HIS 49 8.803 -2.221 -1.926 354 H ILE 50 H ILE 50 4.406 3.171 -4.685 355 HA ILE 50 HA ILE 50 2.417 1.360 -5.413 356 HB ILE 50 HB ILE 50 3.878 3.293 -7.217 357 HG12 ILE 50 1HG1 ILE 50 2.826 4.272 -5.145 358 HG13 ILE 50 2HG1 ILE 50 2.193 4.900 -6.663 359 HG21 ILE 50 1HG2 ILE 50 1.827 1.362 -7.738 360 HG22 ILE 50 2HG2 ILE 50 1.191 2.988 -7.982 361 HG23 ILE 50 3HG2 ILE 50 2.631 2.466 -8.856 362 HD11 ILE 50 3HD1 ILE 50 0.564 4.296 -4.759 363 HD12 ILE 50 1HD1 ILE 50 0.169 3.819 -6.410 364 HD13 ILE 50 2HD1 ILE 50 0.827 2.633 -5.283 365 H GLU 51 H GLU 51 2.454 -0.556 -6.385 366 HA GLU 51 HA GLU 51 4.635 -2.089 -6.878 367 HB2 GLU 51 1HB GLU 51 2.181 -2.756 -6.985 368 HB3 GLU 51 2HB GLU 51 2.202 -2.209 -8.655 369 HG2 GLU 51 1HG GLU 51 4.052 -4.313 -7.565 370 HG3 GLU 51 2HG GLU 51 2.508 -4.664 -8.338 371 H GLY 52 H GLY 52 6.174 -2.309 -8.401 372 HA2 GLY 52 1HA GLY 52 7.262 -2.058 -10.437 373 HA3 GLY 52 2HA GLY 52 5.856 -1.199 -11.049 374 H GLN 53 H GLN 53 5.771 0.766 -8.951 375 HA GLN 53 HA GLN 53 8.119 2.358 -9.733 376 HB2 GLN 53 1HB GLN 53 5.256 3.030 -9.273 377 HB3 GLN 53 2HB GLN 53 6.455 4.242 -8.842 378 HG2 GLN 53 1HG GLN 53 6.025 4.846 -10.992 379 HG3 GLN 53 2HG GLN 53 7.368 3.734 -11.247 380 HE21 GLN 53 1HE2 GLN 53 3.964 4.251 -11.609 381 HE22 GLN 53 2HE2 GLN 53 3.654 2.894 -12.631 382 HA PRO 54 HA PRO 54 8.822 1.598 -5.269 383 HB2 PRO 54 1HB PRO 54 11.528 1.681 -5.472 384 HB3 PRO 54 2HB PRO 54 10.585 0.223 -5.799 385 HG2 PRO 54 1HG PRO 54 11.727 2.211 -7.723 386 HG3 PRO 54 2HG PRO 54 11.709 0.442 -7.822 387 HD2 PRO 54 1HD PRO 54 9.960 1.995 -9.186 388 HD3 PRO 54 2HD PRO 54 9.534 0.380 -8.582 389 H GLU 55 H GLU 55 10.298 3.965 -7.445 390 HA GLU 55 HA GLU 55 11.426 5.719 -5.657 391 HB2 GLU 55 1HB GLU 55 10.992 7.490 -7.333 392 HB3 GLU 55 2HB GLU 55 11.659 6.026 -8.043 393 HG2 GLU 55 1HG GLU 55 9.277 5.379 -8.603 394 HG3 GLU 55 2HG GLU 55 8.836 7.031 -8.174 395 H ARG 56 H ARG 56 8.033 5.384 -6.544 396 HA ARG 56 HA ARG 56 7.239 7.639 -4.913 397 HB2 ARG 56 1HB ARG 56 5.632 5.591 -6.448 398 HB3 ARG 56 2HB ARG 56 4.927 6.936 -5.561 399 HG2 ARG 56 1HG ARG 56 6.058 8.520 -7.001 400 HG3 ARG 56 2HG ARG 56 6.857 7.199 -7.856 401 HD2 ARG 56 1HD ARG 56 5.072 7.721 -9.247 402 HD3 ARG 56 2HD ARG 56 4.468 6.350 -8.318 403 HE ARG 56 HE ARG 56 2.897 7.723 -7.380 404 HH11 ARG 56 1HH1 ARG 56 5.371 9.670 -8.867 405 HH12 ARG 56 2HH1 ARG 56 4.516 11.160 -8.642 406 HH21 ARG 56 1HH2 ARG 56 1.762 9.679 -7.078 407 HH22 ARG 56 2HH2 ARG 56 2.464 11.164 -7.623 408 H LYS 57 H LYS 57 7.501 7.300 -2.780 409 HA LYS 57 HA LYS 57 5.965 5.122 -1.575 410 HB2 LYS 57 1HB LYS 57 7.831 4.656 0.010 411 HB3 LYS 57 2HB LYS 57 8.190 4.212 -1.654 412 HG2 LYS 57 1HG LYS 57 9.495 6.253 -1.927 413 HG3 LYS 57 2HG LYS 57 9.125 6.716 -0.264 414 HD2 LYS 57 1HD LYS 57 10.392 4.939 0.620 415 HD3 LYS 57 2HD LYS 57 10.470 4.111 -0.937 416 HE2 LYS 57 1HE LYS 57 12.602 5.162 -0.405 417 HE3 LYS 57 2HE LYS 57 11.869 5.912 -1.822 418 HZ1 LYS 57 3HZ LYS 57 12.513 7.733 -0.622 419 HZ2 LYS 57 1HZ LYS 57 12.229 7.005 0.879 420 HZ3 LYS 57 2HZ LYS 57 10.930 7.551 -0.056 421 H GLY 58 H GLY 58 4.597 6.020 -0.189 422 HA2 GLY 58 1HA GLY 58 5.531 7.935 1.766 423 HA3 GLY 58 2HA GLY 58 4.386 8.592 0.607 424 H VAL 59 H VAL 59 4.033 8.346 3.453 425 HA VAL 59 HA VAL 59 2.489 6.154 4.227 426 HB VAL 59 HB VAL 59 3.395 7.917 5.760 427 HG11 VAL 59 1HG1 VAL 59 2.213 9.964 6.097 428 HG12 VAL 59 2HG1 VAL 59 2.585 9.837 4.376 429 HG13 VAL 59 3HG1 VAL 59 0.956 9.490 4.956 430 HG21 VAL 59 3HG2 VAL 59 1.755 7.579 7.388 431 HG22 VAL 59 1HG2 VAL 59 0.447 7.593 6.204 432 HG23 VAL 59 2HG2 VAL 59 1.544 6.214 6.291 433 H PHE 60 H PHE 60 0.272 5.784 4.317 434 HA PHE 60 HA PHE 60 -1.559 7.638 3.057 435 HB2 PHE 60 1HB PHE 60 -2.364 6.010 1.393 436 HB3 PHE 60 2HB PHE 60 -0.679 6.439 1.118 437 HD1 PHE 60 2HD PHE 60 1.107 4.843 1.980 438 HD2 PHE 60 1HD PHE 60 -3.002 3.788 1.630 439 HE1 PHE 60 2HE PHE 60 1.719 2.460 2.013 440 HE2 PHE 60 1HE PHE 60 -2.396 1.403 1.664 441 HZ PHE 60 HZ PHE 60 -0.032 0.737 1.854 442 HA PRO 61 HA PRO 61 -4.349 5.880 5.959 443 HB2 PRO 61 1HB PRO 61 -6.718 6.397 4.736 444 HB3 PRO 61 2HB PRO 61 -5.736 7.654 5.497 445 HG2 PRO 61 1HG PRO 61 -5.947 6.907 2.606 446 HG3 PRO 61 2HG PRO 61 -5.903 8.518 3.345 447 HD2 PRO 61 1HD PRO 61 -3.729 7.383 2.196 448 HD3 PRO 61 2HD PRO 61 -3.610 8.485 3.583 449 H VAL 62 H VAL 62 -4.626 3.771 6.286 450 HA VAL 62 HA VAL 62 -4.761 1.819 4.289 451 HB VAL 62 HB VAL 62 -5.714 1.621 7.150 452 HG11 VAL 62 1HG1 VAL 62 -6.366 -0.447 6.680 453 HG12 VAL 62 2HG1 VAL 62 -5.905 -0.223 4.990 454 HG13 VAL 62 3HG1 VAL 62 -4.729 -0.839 6.152 455 HG21 VAL 62 3HG2 VAL 62 -3.095 0.607 6.117 456 HG22 VAL 62 1HG2 VAL 62 -3.273 2.293 6.602 457 HG23 VAL 62 2HG2 VAL 62 -3.565 1.004 7.770 458 H SER 63 H SER 63 -7.255 3.699 5.832 459 HA SER 63 HA SER 63 -9.478 2.093 5.199 460 HB2 SER 63 1HB SER 63 -9.721 3.867 6.807 461 HB3 SER 63 2HB SER 63 -9.238 5.079 5.621 462 HG SER 63 HG SER 63 -11.359 5.219 5.458 463 H PHE 64 H PHE 64 -7.593 4.331 3.317 464 HA PHE 64 HA PHE 64 -9.495 4.626 1.201 465 HB2 PHE 64 1HB PHE 64 -6.592 5.317 1.537 466 HB3 PHE 64 2HB PHE 64 -7.363 5.445 -0.041 467 HD1 PHE 64 2HD PHE 64 -8.368 6.322 3.447 468 HD2 PHE 64 1HD PHE 64 -7.859 7.612 -0.577 469 HE1 PHE 64 2HE PHE 64 -9.228 8.546 4.054 470 HE2 PHE 64 1HE PHE 64 -8.717 9.838 0.024 471 HZ PHE 64 HZ PHE 64 -9.404 10.307 2.342 472 H VAL 65 H VAL 65 -7.024 2.336 2.003 473 HA VAL 65 HA VAL 65 -7.321 1.053 -0.631 474 HB VAL 65 HB VAL 65 -5.238 -0.097 -0.222 475 HG11 VAL 65 1HG1 VAL 65 -4.921 2.006 -1.246 476 HG12 VAL 65 2HG1 VAL 65 -5.163 2.868 0.274 477 HG13 VAL 65 3HG1 VAL 65 -3.705 1.906 0.026 478 HG21 VAL 65 3HG2 VAL 65 -5.699 -0.153 2.324 479 HG22 VAL 65 1HG2 VAL 65 -4.031 -0.057 1.759 480 HG23 VAL 65 2HG2 VAL 65 -4.848 1.392 2.346 481 H HIS 66 H HIS 66 -7.353 -1.317 -0.652 482 HA HIS 66 HA HIS 66 -8.487 -2.489 1.795 483 HB2 HIS 66 1HB HIS 66 -10.341 -3.346 0.728 484 HB3 HIS 66 2HB HIS 66 -10.144 -1.832 -0.151 485 HD1 HIS 66 1HD HIS 66 -10.911 -5.166 -0.824 486 HD2 HIS 66 2HD HIS 66 -8.259 -2.466 -2.538 487 HE1 HIS 66 1HE HIS 66 -10.443 -6.055 -3.129 488 HE2 HIS 66 2HE HIS 66 -8.769 -4.451 -4.115 489 H ILE 67 H ILE 67 -7.377 -4.213 2.411 490 HA ILE 67 HA ILE 67 -5.236 -5.315 1.034 491 HB ILE 67 HB ILE 67 -6.944 -6.653 3.137 492 HG12 ILE 67 1HG1 ILE 67 -4.377 -5.073 3.402 493 HG13 ILE 67 2HG1 ILE 67 -5.978 -4.483 3.833 494 HG21 ILE 67 1HG2 ILE 67 -5.037 -7.829 1.552 495 HG22 ILE 67 2HG2 ILE 67 -4.122 -7.370 2.988 496 HG23 ILE 67 3HG2 ILE 67 -5.547 -8.397 3.142 497 HD11 ILE 67 3HD1 ILE 67 -4.318 -6.575 5.172 498 HD12 ILE 67 1HD1 ILE 67 -5.067 -5.133 5.858 499 HD13 ILE 67 2HD1 ILE 67 -6.065 -6.515 5.403 500 H LEU 68 H LEU 68 -5.124 -6.558 -0.706 501 HA LEU 68 HA LEU 68 -7.426 -7.644 -1.959 502 HB2 LEU 68 1HB LEU 68 -4.571 -8.393 -2.532 503 HB3 LEU 68 2HB LEU 68 -5.948 -8.469 -3.628 504 HG LEU 68 HG LEU 68 -5.135 -5.812 -2.555 505 HD11 LEU 68 1HD1 LEU 68 -3.801 -6.776 -5.026 506 HD12 LEU 68 2HD1 LEU 68 -3.128 -7.268 -3.473 507 HD13 LEU 68 3HD1 LEU 68 -3.286 -5.556 -3.861 508 HD21 LEU 68 3HD2 LEU 68 -6.153 -4.993 -4.460 509 HD22 LEU 68 1HD2 LEU 68 -7.138 -6.411 -4.097 510 HD23 LEU 68 2HD2 LEU 68 -5.911 -6.491 -5.362 511 H SER 69 H SER 69 -8.470 -9.147 -0.727 512 HA SER 69 HA SER 69 -6.964 -11.606 -0.119 513 HB2 SER 69 1HB SER 69 -7.843 -10.120 1.847 514 HB3 SER 69 2HB SER 69 -9.408 -10.822 1.439 515 HG SER 69 HG SER 69 -8.474 -12.887 1.749 516 H ASP 70 H ASP 70 -7.940 -13.560 -0.567 517 HA ASP 70 HA ASP 70 -10.663 -13.699 -1.494 518 HB2 ASP 70 1HB ASP 70 -10.298 -14.237 -3.745 519 HB3 ASP 70 2HB ASP 70 -9.207 -12.883 -3.464 520 H SER 71 H SER 71 -11.398 -15.865 -1.806 521 HA SER 71 HA SER 71 -10.069 -17.735 -0.084 522 HB2 SER 71 1HB SER 71 -12.624 -17.755 -1.661 523 HB3 SER 71 2HB SER 71 -12.009 -19.251 -0.959 524 HG SER 71 HG SER 71 -12.610 -16.850 0.432 525 H GLY 72 H GLY 72 -8.833 -19.449 -0.605 526 HA2 GLY 72 1HA GLY 72 -8.062 -19.729 -3.409 527 HA3 GLY 72 2HA GLY 72 -7.216 -20.407 -2.027 528 HA PRO 73 HA PRO 73 -10.486 -23.360 -4.041 529 HB2 PRO 73 1HB PRO 73 -9.215 -24.272 -6.260 530 HB3 PRO 73 2HB PRO 73 -10.317 -22.889 -6.283 531 HG2 PRO 73 1HG PRO 73 -7.326 -22.925 -6.199 532 HG3 PRO 73 2HG PRO 73 -8.406 -21.899 -7.160 533 HD2 PRO 73 1HD PRO 73 -7.218 -21.035 -4.885 534 HD3 PRO 73 2HD PRO 73 -8.821 -20.470 -5.400 535 H SER 74 H SER 74 -9.827 -24.523 -2.171 536 HA SER 74 HA SER 74 -7.383 -25.857 -1.875 537 HB2 SER 74 1HB SER 74 -10.079 -26.072 -0.631 538 HB3 SER 74 2HB SER 74 -8.973 -27.428 -0.403 539 HG SER 74 HG SER 74 -8.692 -25.919 1.250 540 H SER 75 H SER 75 -6.765 -26.959 -3.704 541 HA SER 75 HA SER 75 -8.473 -28.786 -5.075 542 HB2 SER 75 1HB SER 75 -5.452 -28.627 -5.180 543 HB3 SER 75 2HB SER 75 -6.515 -29.362 -6.381 544 HG SER 75 HG SER 75 -6.850 -26.660 -5.692 545 H GLY 76 H GLY 76 -9.160 -30.615 -4.175 546 HA2 GLY 76 1HA GLY 76 -7.195 -32.235 -2.676 547 HA3 GLY 76 2HA GLY 76 -8.865 -32.074 -2.153 Start of MODEL 10 1 H1 GLY 1 H GLY 1 7.411 -15.703 -6.758 2 HA2 GLY 1 1HA GLY 1 5.346 -17.323 -5.451 3 HA3 GLY 1 2HA GLY 1 6.977 -17.972 -5.533 4 H SER 2 H SER 2 8.522 -15.776 -5.037 5 HA SER 2 HA SER 2 7.643 -14.242 -2.815 6 HB2 SER 2 1HB SER 2 9.064 -16.816 -2.295 7 HB3 SER 2 2HB SER 2 9.472 -15.423 -1.292 8 HG SER 2 HG SER 2 7.787 -16.526 -0.325 9 H SER 3 H SER 3 9.030 -12.583 -2.379 10 HA SER 3 HA SER 3 11.686 -12.660 -3.637 11 HB2 SER 3 1HB SER 3 9.775 -11.339 -4.890 12 HB3 SER 3 2HB SER 3 10.123 -10.108 -3.675 13 HG SER 3 HG SER 3 11.357 -10.010 -5.708 14 H GLY 4 H GLY 4 13.086 -10.813 -2.848 15 HA2 GLY 4 1HA GLY 4 13.928 -9.471 -1.153 16 HA3 GLY 4 2HA GLY 4 12.413 -9.672 -0.285 17 H SER 5 H SER 5 13.981 -9.811 1.546 18 HA SER 5 HA SER 5 15.409 -12.336 1.759 19 HB2 SER 5 1HB SER 5 15.197 -9.987 3.657 20 HB3 SER 5 2HB SER 5 16.181 -11.421 3.947 21 HG SER 5 HG SER 5 17.641 -10.313 2.908 22 H SER 6 H SER 6 14.529 -14.097 2.598 23 HA SER 6 HA SER 6 11.910 -14.217 3.583 24 HB2 SER 6 1HB SER 6 14.128 -16.219 4.067 25 HB3 SER 6 2HB SER 6 12.395 -16.530 4.150 26 HG SER 6 HG SER 6 13.769 -16.957 2.096 27 H GLY 7 H GLY 7 11.506 -12.858 5.287 28 HA2 GLY 7 1HA GLY 7 12.328 -13.795 7.882 29 HA3 GLY 7 2HA GLY 7 13.017 -12.233 7.464 30 H ASN 8 H ASN 8 11.397 -10.567 6.718 31 HA ASN 8 HA ASN 8 9.296 -10.427 8.684 32 HB2 ASN 8 1HB ASN 8 10.036 -8.499 6.471 33 HB3 ASN 8 2HB ASN 8 8.914 -8.166 7.788 34 HD21 ASN 8 1HD2 ASN 8 11.746 -7.273 6.825 35 HD22 ASN 8 2HD2 ASN 8 12.623 -7.169 8.309 36 H LYS 9 H LYS 9 7.081 -9.696 8.031 37 HA LYS 9 HA LYS 9 6.109 -11.443 5.908 38 HB2 LYS 9 1HB LYS 9 3.966 -11.258 6.902 39 HB3 LYS 9 2HB LYS 9 5.103 -11.406 8.235 40 HG2 LYS 9 1HG LYS 9 4.178 -8.724 7.276 41 HG3 LYS 9 2HG LYS 9 3.227 -9.674 8.420 42 HD2 LYS 9 1HD LYS 9 5.563 -9.837 9.659 43 HD3 LYS 9 2HD LYS 9 5.861 -8.338 8.776 44 HE2 LYS 9 1HE LYS 9 3.484 -7.707 9.710 45 HE3 LYS 9 2HE LYS 9 3.879 -8.926 10.923 46 HZ1 LYS 9 3HZ LYS 9 4.652 -6.298 10.941 47 HZ2 LYS 9 1HZ LYS 9 6.050 -7.133 10.482 48 HZ3 LYS 9 2HZ LYS 9 5.264 -7.531 11.925 49 H VAL 10 H VAL 10 4.696 -10.727 4.261 50 HA VAL 10 HA VAL 10 5.102 -7.910 3.538 51 HB VAL 10 HB VAL 10 4.652 -8.521 1.261 52 HG11 VAL 10 1HG1 VAL 10 6.582 -10.236 2.760 53 HG12 VAL 10 2HG1 VAL 10 6.370 -10.469 1.024 54 HG13 VAL 10 3HG1 VAL 10 6.893 -8.904 1.648 55 HG21 VAL 10 3HG2 VAL 10 4.315 -11.063 0.814 56 HG22 VAL 10 1HG2 VAL 10 3.718 -11.087 2.473 57 HG23 VAL 10 2HG2 VAL 10 2.933 -10.066 1.269 58 H ARG 11 H ARG 11 3.344 -6.713 2.594 59 HA ARG 11 HA ARG 11 0.656 -7.735 3.111 60 HB2 ARG 11 1HB ARG 11 1.968 -5.487 4.531 61 HB3 ARG 11 2HB ARG 11 0.306 -5.227 4.020 62 HG2 ARG 11 1HG ARG 11 0.932 -7.754 5.439 63 HG3 ARG 11 2HG ARG 11 0.910 -6.258 6.377 64 HD2 ARG 11 1HD ARG 11 -1.359 -5.816 5.312 65 HD3 ARG 11 2HD ARG 11 -1.315 -7.495 4.778 66 HE ARG 11 HE ARG 11 -1.888 -6.553 7.403 67 HH11 ARG 11 1HH1 ARG 11 -0.440 -9.177 5.632 68 HH12 ARG 11 2HH1 ARG 11 -0.726 -10.347 6.877 69 HH21 ARG 11 1HH2 ARG 11 -2.270 -8.084 9.049 70 HH22 ARG 11 2HH2 ARG 11 -1.768 -9.725 8.821 71 H ARG 12 H ARG 12 -0.263 -7.595 1.172 72 HA ARG 12 HA ARG 12 0.374 -5.330 -0.569 73 HB2 ARG 12 1HB ARG 12 -0.690 -8.078 -0.995 74 HB3 ARG 12 2HB ARG 12 -1.183 -6.827 -2.129 75 HG2 ARG 12 1HG ARG 12 1.270 -6.317 -2.439 76 HG3 ARG 12 2HG ARG 12 1.595 -7.801 -1.542 77 HD2 ARG 12 1HD ARG 12 0.280 -9.064 -3.191 78 HD3 ARG 12 2HD ARG 12 0.007 -7.575 -4.096 79 HE ARG 12 HE ARG 12 2.695 -7.700 -3.958 80 HH11 ARG 12 1HH1 ARG 12 0.267 -10.004 -4.916 81 HH12 ARG 12 2HH1 ARG 12 1.294 -10.810 -6.053 82 HH21 ARG 12 1HH2 ARG 12 4.058 -8.753 -5.454 83 HH22 ARG 12 2HH2 ARG 12 3.450 -10.099 -6.358 84 H VAL 13 H VAL 13 -1.083 -3.809 -1.156 85 HA VAL 13 HA VAL 13 -3.897 -4.164 -0.443 86 HB VAL 13 HB VAL 13 -4.050 -2.010 0.661 87 HG11 VAL 13 1HG1 VAL 13 -3.134 -4.255 1.788 88 HG12 VAL 13 2HG1 VAL 13 -1.770 -3.189 2.132 89 HG13 VAL 13 3HG1 VAL 13 -3.389 -2.764 2.693 90 HG21 VAL 13 3HG2 VAL 13 -2.320 -0.786 -0.465 91 HG22 VAL 13 1HG2 VAL 13 -1.975 -0.776 1.264 92 HG23 VAL 13 2HG2 VAL 13 -1.076 -1.849 0.191 93 H LYS 14 H LYS 14 -5.328 -2.737 -1.541 94 HA LYS 14 HA LYS 14 -4.119 -1.378 -3.861 95 HB2 LYS 14 1HB LYS 14 -5.300 -3.483 -4.465 96 HB3 LYS 14 2HB LYS 14 -6.780 -2.813 -3.792 97 HG2 LYS 14 1HG LYS 14 -6.297 -0.863 -5.474 98 HG3 LYS 14 2HG LYS 14 -5.337 -2.096 -6.295 99 HD2 LYS 14 1HD LYS 14 -7.528 -3.532 -5.927 100 HD3 LYS 14 2HD LYS 14 -8.279 -1.935 -5.876 101 HE2 LYS 14 1HE LYS 14 -7.211 -1.417 -8.051 102 HE3 LYS 14 2HE LYS 14 -6.586 -3.064 -8.104 103 HZ1 LYS 14 3HZ LYS 14 -8.501 -3.253 -9.322 104 HZ2 LYS 14 1HZ LYS 14 -9.352 -2.120 -8.396 105 HZ3 LYS 14 2HZ LYS 14 -9.075 -3.673 -7.787 106 H THR 15 H THR 15 -5.029 0.564 -4.523 107 HA THR 15 HA THR 15 -6.417 2.022 -2.452 108 HB THR 15 HB THR 15 -6.206 3.959 -4.028 109 HG1 THR 15 1HG THR 15 -6.138 2.858 -6.002 110 HG21 THR 15 3HG2 THR 15 -3.677 4.019 -3.929 111 HG22 THR 15 1HG2 THR 15 -3.750 2.385 -3.273 112 HG23 THR 15 2HG2 THR 15 -4.497 3.721 -2.397 113 H ILE 16 H ILE 16 -8.512 1.314 -2.332 114 HA ILE 16 HA ILE 16 -10.149 0.931 -4.649 115 HB ILE 16 HB ILE 16 -12.024 0.836 -2.929 116 HG12 ILE 16 1HG1 ILE 16 -9.739 0.751 -0.958 117 HG13 ILE 16 2HG1 ILE 16 -10.693 2.202 -1.246 118 HG21 ILE 16 1HG2 ILE 16 -11.593 -1.319 -3.256 119 HG22 ILE 16 2HG2 ILE 16 -9.876 -0.996 -3.483 120 HG23 ILE 16 3HG2 ILE 16 -10.517 -1.258 -1.861 121 HD11 ILE 16 3HD1 ILE 16 -12.721 0.783 -0.669 122 HD12 ILE 16 1HD1 ILE 16 -11.569 -0.402 -0.054 123 HD13 ILE 16 2HD1 ILE 16 -11.631 1.214 0.649 124 H TYR 17 H TYR 17 -9.087 3.664 -3.057 125 HA TYR 17 HA TYR 17 -11.209 5.266 -4.292 126 HB2 TYR 17 1HB TYR 17 -10.192 5.598 -1.464 127 HB3 TYR 17 2HB TYR 17 -11.202 6.772 -2.299 128 HD1 TYR 17 1HD TYR 17 -13.268 5.299 -3.571 129 HD2 TYR 17 2HD TYR 17 -11.397 4.507 0.167 130 HE1 TYR 17 1HE TYR 17 -15.281 4.100 -2.824 131 HE2 TYR 17 2HE TYR 17 -13.404 3.305 0.924 132 HH TYR 17 HH TYR 17 -15.693 2.155 -0.998 133 H ASP 18 H ASP 18 -10.596 7.493 -4.686 134 HA ASP 18 HA ASP 18 -7.816 7.686 -5.469 135 HB2 ASP 18 1HB ASP 18 -9.845 9.883 -5.782 136 HB3 ASP 18 2HB ASP 18 -8.447 9.520 -6.791 137 H CYS 19 H CYS 19 -6.306 9.095 -4.676 138 HA CYS 19 HA CYS 19 -7.066 10.941 -2.549 139 HB2 CYS 19 1HB CYS 19 -6.299 8.547 -1.720 140 HB3 CYS 19 2HB CYS 19 -4.696 9.202 -2.027 141 HG CYS 19 HG CYS 19 -4.720 11.105 -0.134 142 H GLN 20 H GLN 20 -6.032 12.819 -2.749 143 HA GLN 20 HA GLN 20 -3.634 12.896 -4.459 144 HB2 GLN 20 1HB GLN 20 -5.452 14.123 -5.456 145 HB3 GLN 20 2HB GLN 20 -5.752 14.989 -3.955 146 HG2 GLN 20 1HG GLN 20 -3.956 16.378 -4.229 147 HG3 GLN 20 2HG GLN 20 -3.075 15.221 -5.226 148 HE21 GLN 20 1HE2 GLN 20 -3.681 14.977 -7.420 149 HE22 GLN 20 2HE2 GLN 20 -4.504 16.243 -8.258 150 H ALA 21 H ALA 21 -2.289 12.417 -2.631 151 HA ALA 21 HA ALA 21 -2.109 13.568 -0.202 152 HB1 ALA 21 3HB ALA 21 0.457 13.495 -0.585 153 HB2 ALA 21 1HB ALA 21 -0.471 11.995 -0.633 154 HB3 ALA 21 2HB ALA 21 0.027 12.773 -2.136 155 H ASP 22 H ASP 22 -1.888 15.543 0.623 156 HA ASP 22 HA ASP 22 -1.534 17.796 -1.156 157 HB2 ASP 22 1HB ASP 22 -2.322 17.436 1.704 158 HB3 ASP 22 2HB ASP 22 -1.719 19.010 1.187 159 H ASN 23 H ASN 23 0.241 16.208 1.440 160 HA ASN 23 HA ASN 23 2.464 18.088 1.058 161 HB2 ASN 23 1HB ASN 23 1.560 16.375 3.321 162 HB3 ASN 23 2HB ASN 23 3.289 16.669 3.163 163 HD21 ASN 23 1HD2 ASN 23 0.265 17.947 4.082 164 HD22 ASN 23 2HD2 ASN 23 0.813 19.514 4.561 165 H ASP 24 H ASP 24 4.645 17.227 0.958 166 HA ASP 24 HA ASP 24 4.988 15.293 -1.011 167 HB2 ASP 24 1HB ASP 24 6.790 16.650 0.936 168 HB3 ASP 24 2HB ASP 24 7.408 15.226 0.103 169 H ASP 25 H ASP 25 5.486 14.990 2.502 170 HA ASP 25 HA ASP 25 6.333 12.409 2.703 171 HB2 ASP 25 1HB ASP 25 4.366 13.880 4.464 172 HB3 ASP 25 2HB ASP 25 5.080 12.328 4.892 173 H GLU 26 H GLU 26 2.946 13.468 2.466 174 HA GLU 26 HA GLU 26 1.840 10.866 2.516 175 HB2 GLU 26 1HB GLU 26 0.818 13.551 1.640 176 HB3 GLU 26 2HB GLU 26 -0.139 12.100 1.375 177 HG2 GLU 26 1HG GLU 26 -0.359 11.690 3.675 178 HG3 GLU 26 2HG GLU 26 0.925 12.828 4.082 179 H LEU 27 H LEU 27 1.558 9.381 0.967 180 HA LEU 27 HA LEU 27 2.843 9.743 -1.570 181 HB2 LEU 27 1HB LEU 27 2.953 7.606 -0.456 182 HB3 LEU 27 2HB LEU 27 1.195 7.479 -0.457 183 HG LEU 27 HG LEU 27 1.282 7.378 -2.953 184 HD11 LEU 27 1HD1 LEU 27 4.185 6.736 -2.731 185 HD12 LEU 27 2HD1 LEU 27 3.676 8.417 -2.890 186 HD13 LEU 27 3HD1 LEU 27 3.246 7.245 -4.136 187 HD21 LEU 27 3HD2 LEU 27 1.886 5.063 -3.035 188 HD22 LEU 27 1HD2 LEU 27 1.125 5.377 -1.475 189 HD23 LEU 27 2HD2 LEU 27 2.878 5.218 -1.584 190 H THR 28 H THR 28 1.912 9.765 -3.612 191 HA THR 28 HA THR 28 -0.897 10.621 -3.657 192 HB THR 28 HB THR 28 1.213 10.968 -5.797 193 HG1 THR 28 1HG THR 28 0.154 13.103 -4.316 194 HG21 THR 28 3HG2 THR 28 -1.041 10.938 -6.710 195 HG22 THR 28 1HG2 THR 28 -0.395 12.578 -6.753 196 HG23 THR 28 2HG2 THR 28 -1.565 12.123 -5.514 197 H PHE 29 H PHE 29 -2.352 9.180 -4.284 198 HA PHE 29 HA PHE 29 -1.703 7.344 -6.468 199 HB2 PHE 29 1HB PHE 29 -2.771 5.463 -5.250 200 HB3 PHE 29 2HB PHE 29 -1.301 6.033 -4.467 201 HD1 PHE 29 2HD PHE 29 -4.966 5.936 -4.274 202 HD2 PHE 29 1HD PHE 29 -1.357 7.037 -2.302 203 HE1 PHE 29 2HE PHE 29 -6.209 6.233 -2.170 204 HE2 PHE 29 1HE PHE 29 -2.595 7.335 -0.196 205 HZ PHE 29 HZ PHE 29 -5.024 6.935 -0.129 206 H ILE 30 H ILE 30 -3.773 6.123 -7.139 207 HA ILE 30 HA ILE 30 -6.174 7.754 -6.762 208 HB ILE 30 HB ILE 30 -6.648 7.734 -9.184 209 HG12 ILE 30 1HG1 ILE 30 -3.788 7.096 -9.760 210 HG13 ILE 30 2HG1 ILE 30 -4.892 5.762 -9.445 211 HG21 ILE 30 1HG2 ILE 30 -4.039 9.055 -8.445 212 HG22 ILE 30 2HG2 ILE 30 -5.074 9.501 -9.802 213 HG23 ILE 30 3HG2 ILE 30 -5.652 9.703 -8.148 214 HD11 ILE 30 3HD1 ILE 30 -4.480 7.158 -11.851 215 HD12 ILE 30 1HD1 ILE 30 -5.635 5.866 -11.521 216 HD13 ILE 30 2HD1 ILE 30 -6.109 7.550 -11.297 217 H GLU 31 H GLU 31 -8.143 6.685 -7.522 218 HA GLU 31 HA GLU 31 -8.427 4.102 -6.591 219 HB2 GLU 31 1HB GLU 31 -10.308 5.643 -6.964 220 HB3 GLU 31 2HB GLU 31 -10.100 5.475 -8.702 221 HG2 GLU 31 1HG GLU 31 -10.399 2.915 -8.131 222 HG3 GLU 31 2HG GLU 31 -11.245 3.577 -6.734 223 H GLY 32 H GLY 32 -7.501 2.299 -7.294 224 HA2 GLY 32 1HA GLY 32 -7.500 0.561 -8.980 225 HA3 GLY 32 2HA GLY 32 -7.425 1.820 -10.204 226 H GLU 33 H GLU 33 -5.495 1.576 -7.251 227 HA GLU 33 HA GLU 33 -3.127 1.005 -8.891 228 HB2 GLU 33 1HB GLU 33 -3.312 3.152 -6.769 229 HB3 GLU 33 2HB GLU 33 -1.836 2.664 -7.589 230 HG2 GLU 33 1HG GLU 33 -4.254 3.923 -8.863 231 HG3 GLU 33 2HG GLU 33 -2.705 4.703 -8.548 232 H VAL 34 H VAL 34 -1.461 -0.106 -7.844 233 HA VAL 34 HA VAL 34 -2.301 -1.467 -5.385 234 HB VAL 34 HB VAL 34 -0.133 -2.218 -7.351 235 HG11 VAL 34 1HG1 VAL 34 0.349 -2.982 -5.078 236 HG12 VAL 34 2HG1 VAL 34 -1.241 -3.744 -4.996 237 HG13 VAL 34 3HG1 VAL 34 -0.036 -4.334 -6.142 238 HG21 VAL 34 3HG2 VAL 34 -2.072 -2.658 -8.516 239 HG22 VAL 34 1HG2 VAL 34 -1.829 -4.182 -7.662 240 HG23 VAL 34 2HG2 VAL 34 -2.997 -3.007 -7.056 241 H ILE 35 H ILE 35 -0.955 -1.632 -3.593 242 HA ILE 35 HA ILE 35 1.511 -0.045 -3.611 243 HB ILE 35 HB ILE 35 -0.649 0.210 -1.516 244 HG12 ILE 35 1HG1 ILE 35 0.425 2.345 -3.360 245 HG13 ILE 35 2HG1 ILE 35 -1.002 1.387 -3.740 246 HG21 ILE 35 1HG2 ILE 35 1.058 0.710 -0.165 247 HG22 ILE 35 2HG2 ILE 35 2.197 0.824 -1.506 248 HG23 ILE 35 3HG2 ILE 35 1.187 2.207 -1.088 249 HD11 ILE 35 3HD1 ILE 35 -0.623 3.353 -1.508 250 HD12 ILE 35 1HD1 ILE 35 -1.788 3.402 -2.829 251 HD13 ILE 35 2HD1 ILE 35 -1.959 2.203 -1.548 252 H ILE 36 H ILE 36 3.154 -1.008 -2.591 253 HA ILE 36 HA ILE 36 2.631 -3.527 -1.215 254 HB ILE 36 HB ILE 36 5.190 -2.266 -2.194 255 HG12 ILE 36 1HG1 ILE 36 3.841 -3.202 -3.971 256 HG13 ILE 36 2HG1 ILE 36 5.215 -4.265 -3.683 257 HG21 ILE 36 1HG2 ILE 36 4.840 -4.925 -0.814 258 HG22 ILE 36 2HG2 ILE 36 6.340 -4.279 -1.478 259 HG23 ILE 36 3HG2 ILE 36 5.576 -3.490 -0.098 260 HD11 ILE 36 3HD1 ILE 36 2.390 -4.815 -3.526 261 HD12 ILE 36 1HD1 ILE 36 3.757 -5.928 -3.572 262 HD13 ILE 36 2HD1 ILE 36 3.220 -5.254 -2.033 263 H VAL 37 H VAL 37 2.215 -3.360 0.891 264 HA VAL 37 HA VAL 37 3.096 -1.202 2.520 265 HB VAL 37 HB VAL 37 1.979 -3.883 3.356 266 HG11 VAL 37 1HG1 VAL 37 1.958 -3.189 5.495 267 HG12 VAL 37 2HG1 VAL 37 3.245 -2.104 4.963 268 HG13 VAL 37 3HG1 VAL 37 1.582 -1.522 5.059 269 HG21 VAL 37 3HG2 VAL 37 0.598 -2.355 1.815 270 HG22 VAL 37 1HG2 VAL 37 -0.158 -2.951 3.294 271 HG23 VAL 37 2HG2 VAL 37 0.460 -1.301 3.222 272 H THR 38 H THR 38 5.091 -0.914 3.240 273 HA THR 38 HA THR 38 6.805 -3.263 3.676 274 HB THR 38 HB THR 38 8.710 -1.705 3.569 275 HG1 THR 38 1HG THR 38 8.203 0.315 3.966 276 HG21 THR 38 3HG2 THR 38 6.812 -2.126 1.360 277 HG22 THR 38 1HG2 THR 38 8.537 -2.479 1.455 278 HG23 THR 38 2HG2 THR 38 7.991 -0.840 1.098 279 H GLY 39 H GLY 39 6.027 -0.093 5.111 280 HA2 GLY 39 1HA GLY 39 6.415 -1.297 7.763 281 HA3 GLY 39 2HA GLY 39 7.296 0.171 7.365 282 H GLU 40 H GLU 40 4.151 -1.209 8.020 283 HA GLU 40 HA GLU 40 2.546 1.033 7.610 284 HB2 GLU 40 1HB GLU 40 1.098 -0.051 9.447 285 HB3 GLU 40 2HB GLU 40 1.387 -0.960 7.971 286 HG2 GLU 40 1HG GLU 40 2.987 -2.347 9.036 287 HG3 GLU 40 2HG GLU 40 3.022 -1.319 10.466 288 H GLU 41 H GLU 41 2.315 2.910 8.642 289 HA GLU 41 HA GLU 41 4.016 3.535 10.868 290 HB2 GLU 41 1HB GLU 41 3.173 5.047 8.878 291 HB3 GLU 41 2HB GLU 41 1.826 5.357 9.963 292 HG2 GLU 41 1HG GLU 41 3.389 7.092 10.296 293 HG3 GLU 41 2HG GLU 41 3.500 6.032 11.700 294 H ASP 42 H ASP 42 0.620 2.829 10.393 295 HA ASP 42 HA ASP 42 0.273 2.351 13.205 296 HB2 ASP 42 1HB ASP 42 -1.215 4.627 11.879 297 HB3 ASP 42 2HB ASP 42 -1.652 3.932 13.438 298 H GLN 43 H GLN 43 -2.191 1.866 13.605 299 HA GLN 43 HA GLN 43 -2.867 -0.271 11.862 300 HB2 GLN 43 1HB GLN 43 -4.402 1.039 14.109 301 HB3 GLN 43 2HB GLN 43 -4.945 -0.404 13.263 302 HG2 GLN 43 1HG GLN 43 -3.933 -1.357 15.058 303 HG3 GLN 43 2HG GLN 43 -2.570 -1.297 13.942 304 HE21 GLN 43 1HE2 GLN 43 -1.774 -1.544 16.367 305 HE22 GLN 43 2HE2 GLN 43 -1.240 -0.061 17.072 306 H GLU 44 H GLU 44 -3.331 3.020 11.579 307 HA GLU 44 HA GLU 44 -5.715 2.671 9.887 308 HB2 GLU 44 1HB GLU 44 -4.647 5.099 11.325 309 HB3 GLU 44 2HB GLU 44 -5.923 5.182 10.119 310 HG2 GLU 44 1HG GLU 44 -7.273 3.642 11.504 311 HG3 GLU 44 2HG GLU 44 -6.013 3.701 12.736 312 H TRP 45 H TRP 45 -2.557 4.269 10.066 313 HA TRP 45 HA TRP 45 -2.645 4.654 7.151 314 HB2 TRP 45 1HB TRP 45 -0.866 5.966 9.218 315 HB3 TRP 45 2HB TRP 45 -0.829 6.291 7.488 316 HD1 TRP 45 HD TRP 45 -3.409 6.513 10.385 317 HE1 TRP 45 1HE TRP 45 -4.897 8.570 9.958 318 HE3 TRP 45 3HE TRP 45 -1.458 8.008 5.903 319 HZ2 TRP 45 2HZ TRP 45 -5.202 10.563 7.982 320 HZ3 TRP 45 3HZ TRP 45 -2.405 9.999 4.809 321 HH2 TRP 45 HH TRP 45 -4.239 11.248 5.828 322 H TRP 46 H TRP 46 -1.256 3.609 5.851 323 HA TRP 46 HA TRP 46 0.856 1.999 7.129 324 HB2 TRP 46 1HB TRP 46 -1.083 1.337 4.948 325 HB3 TRP 46 2HB TRP 46 0.502 0.571 4.945 326 HD1 TRP 46 HD TRP 46 -0.284 0.975 8.452 327 HE1 TRP 46 1HE TRP 46 -1.310 -1.163 9.451 328 HE3 TRP 46 3HE TRP 46 -1.446 -1.470 4.116 329 HZ2 TRP 46 2HZ TRP 46 -2.460 -3.569 8.523 330 HZ3 TRP 46 3HZ TRP 46 -2.507 -3.685 4.258 331 HH2 TRP 46 HH TRP 46 -3.002 -4.712 6.418 332 H ILE 47 H ILE 47 2.641 1.403 5.570 333 HA ILE 47 HA ILE 47 3.223 3.677 3.786 334 HB ILE 47 HB ILE 47 5.233 2.112 5.409 335 HG12 ILE 47 1HG1 ILE 47 4.295 4.963 5.787 336 HG13 ILE 47 2HG1 ILE 47 3.747 3.602 6.761 337 HG21 ILE 47 1HG2 ILE 47 6.001 4.693 4.274 338 HG22 ILE 47 2HG2 ILE 47 6.869 3.160 4.298 339 HG23 ILE 47 3HG2 ILE 47 5.640 3.459 3.069 340 HD11 ILE 47 3HD1 ILE 47 5.402 4.164 8.135 341 HD12 ILE 47 1HD1 ILE 47 6.464 3.399 6.952 342 HD13 ILE 47 2HD1 ILE 47 6.210 5.143 6.910 343 H GLY 48 H GLY 48 3.745 3.206 1.740 344 HA2 GLY 48 1HA GLY 48 5.087 0.810 0.968 345 HA3 GLY 48 2HA GLY 48 3.370 0.722 0.599 346 H HIS 49 H HIS 49 5.674 0.762 -1.212 347 HA HIS 49 HA HIS 49 5.313 3.329 -2.583 348 HB2 HIS 49 1HB HIS 49 7.232 2.475 -4.014 349 HB3 HIS 49 2HB HIS 49 7.615 2.806 -2.327 350 HD1 HIS 49 1HD HIS 49 6.784 -0.153 -4.555 351 HD2 HIS 49 2HD HIS 49 8.777 0.727 -1.019 352 HE1 HIS 49 1HE HIS 49 7.901 -2.297 -3.862 353 HE2 HIS 49 2HE HIS 49 9.030 -1.762 -1.675 354 H ILE 50 H ILE 50 4.388 3.501 -4.563 355 HA ILE 50 HA ILE 50 2.437 1.847 -5.446 356 HB ILE 50 HB ILE 50 4.261 3.463 -7.231 357 HG12 ILE 50 1HG1 ILE 50 3.259 4.831 -5.485 358 HG13 ILE 50 2HG1 ILE 50 2.500 5.193 -7.032 359 HG21 ILE 50 1HG2 ILE 50 2.260 1.645 -7.933 360 HG22 ILE 50 2HG2 ILE 50 1.531 3.241 -8.113 361 HG23 ILE 50 3HG2 ILE 50 3.022 2.851 -8.971 362 HD11 ILE 50 3HD1 ILE 50 0.865 5.086 -5.240 363 HD12 ILE 50 1HD1 ILE 50 0.593 3.809 -6.424 364 HD13 ILE 50 2HD1 ILE 50 1.355 3.432 -4.878 365 H GLU 51 H GLU 51 2.532 -0.276 -5.787 366 HA GLU 51 HA GLU 51 4.550 -1.962 -6.194 367 HB2 GLU 51 1HB GLU 51 2.141 -2.596 -6.132 368 HB3 GLU 51 2HB GLU 51 2.005 -2.111 -7.817 369 HG2 GLU 51 1HG GLU 51 3.987 -4.178 -6.941 370 HG3 GLU 51 2HG GLU 51 2.310 -4.593 -7.289 371 H GLY 52 H GLY 52 6.118 -2.356 -7.627 372 HA2 GLY 52 1HA GLY 52 7.194 -2.472 -9.685 373 HA3 GLY 52 2HA GLY 52 5.797 -1.709 -10.428 374 H GLN 53 H GLN 53 5.700 0.592 -8.760 375 HA GLN 53 HA GLN 53 8.089 1.995 -9.747 376 HB2 GLN 53 1HB GLN 53 5.366 3.118 -9.068 377 HB3 GLN 53 2HB GLN 53 6.724 4.032 -9.711 378 HG2 GLN 53 1HG GLN 53 6.577 2.236 -11.633 379 HG3 GLN 53 2HG GLN 53 4.912 2.114 -11.067 380 HE21 GLN 53 1HE2 GLN 53 3.513 3.804 -11.388 381 HE22 GLN 53 2HE2 GLN 53 3.885 5.156 -12.398 382 HA PRO 54 HA PRO 54 8.779 2.062 -5.237 383 HB2 PRO 54 1HB PRO 54 11.477 2.284 -5.450 384 HB3 PRO 54 2HB PRO 54 10.631 0.736 -5.547 385 HG2 PRO 54 1HG PRO 54 11.666 2.471 -7.756 386 HG3 PRO 54 2HG PRO 54 11.760 0.709 -7.579 387 HD2 PRO 54 1HD PRO 54 9.931 1.918 -9.168 388 HD3 PRO 54 2HD PRO 54 9.601 0.393 -8.321 389 H GLU 55 H GLU 55 10.061 4.161 -7.769 390 HA GLU 55 HA GLU 55 11.217 6.229 -6.560 391 HB2 GLU 55 1HB GLU 55 8.926 6.913 -8.362 392 HB3 GLU 55 2HB GLU 55 10.535 7.617 -8.295 393 HG2 GLU 55 1HG GLU 55 9.744 4.961 -9.452 394 HG3 GLU 55 2HG GLU 55 10.369 6.369 -10.306 395 H ARG 56 H ARG 56 7.660 6.069 -6.824 396 HA ARG 56 HA ARG 56 7.362 8.114 -4.804 397 HB2 ARG 56 1HB ARG 56 5.111 6.469 -5.920 398 HB3 ARG 56 2HB ARG 56 5.081 8.129 -5.339 399 HG2 ARG 56 1HG ARG 56 5.927 8.977 -7.293 400 HG3 ARG 56 2HG ARG 56 6.739 7.470 -7.721 401 HD2 ARG 56 1HD ARG 56 4.943 7.638 -9.221 402 HD3 ARG 56 2HD ARG 56 4.409 6.484 -8.000 403 HE ARG 56 HE ARG 56 2.784 7.966 -7.348 404 HH11 ARG 56 1HH1 ARG 56 5.082 9.591 -9.398 405 HH12 ARG 56 2HH1 ARG 56 4.132 11.032 -9.543 406 HH21 ARG 56 1HH2 ARG 56 1.523 9.859 -7.531 407 HH22 ARG 56 2HH2 ARG 56 2.108 11.184 -8.479 408 H LYS 57 H LYS 57 7.499 7.656 -2.717 409 HA LYS 57 HA LYS 57 6.148 5.279 -1.686 410 HB2 LYS 57 1HB LYS 57 8.065 4.672 -0.284 411 HB3 LYS 57 2HB LYS 57 8.473 4.583 -1.992 412 HG2 LYS 57 1HG LYS 57 9.517 6.837 -1.787 413 HG3 LYS 57 2HG LYS 57 9.243 6.745 -0.046 414 HD2 LYS 57 1HD LYS 57 11.433 5.996 -0.275 415 HD3 LYS 57 2HD LYS 57 10.507 4.496 -0.199 416 HE2 LYS 57 1HE LYS 57 11.967 4.151 -1.981 417 HE3 LYS 57 2HE LYS 57 10.463 4.633 -2.764 418 HZ1 LYS 57 3HZ LYS 57 12.774 5.720 -3.375 419 HZ2 LYS 57 1HZ LYS 57 12.362 6.748 -2.096 420 HZ3 LYS 57 2HZ LYS 57 11.332 6.602 -3.429 421 H GLY 58 H GLY 58 4.777 5.988 -0.197 422 HA2 GLY 58 1HA GLY 58 5.694 7.715 1.933 423 HA3 GLY 58 2HA GLY 58 4.503 8.455 0.874 424 H VAL 59 H VAL 59 3.792 8.299 3.418 425 HA VAL 59 HA VAL 59 2.422 5.840 4.032 426 HB VAL 59 HB VAL 59 3.359 7.231 5.827 427 HG11 VAL 59 1HG1 VAL 59 2.096 9.317 6.454 428 HG12 VAL 59 2HG1 VAL 59 3.075 9.435 4.991 429 HG13 VAL 59 3HG1 VAL 59 1.327 9.235 4.870 430 HG21 VAL 59 3HG2 VAL 59 0.382 7.275 6.172 431 HG22 VAL 59 1HG2 VAL 59 1.258 5.750 6.050 432 HG23 VAL 59 2HG2 VAL 59 1.634 6.880 7.350 433 H PHE 60 H PHE 60 0.272 5.400 3.877 434 HA PHE 60 HA PHE 60 -1.508 7.495 2.856 435 HB2 PHE 60 1HB PHE 60 -2.493 5.838 1.262 436 HB3 PHE 60 2HB PHE 60 -0.836 6.294 0.880 437 HD1 PHE 60 2HD PHE 60 1.027 4.724 1.520 438 HD2 PHE 60 1HD PHE 60 -3.078 3.605 1.635 439 HE1 PHE 60 2HE PHE 60 1.677 2.351 1.507 440 HE2 PHE 60 1HE PHE 60 -2.434 1.229 1.624 441 HZ PHE 60 HZ PHE 60 -0.054 0.601 1.559 442 HA PRO 61 HA PRO 61 -4.364 5.960 5.818 443 HB2 PRO 61 1HB PRO 61 -6.713 6.626 4.633 444 HB3 PRO 61 2HB PRO 61 -5.634 7.819 5.364 445 HG2 PRO 61 1HG PRO 61 -5.949 7.062 2.484 446 HG3 PRO 61 2HG PRO 61 -5.780 8.673 3.206 447 HD2 PRO 61 1HD PRO 61 -3.712 7.380 2.030 448 HD3 PRO 61 2HD PRO 61 -3.492 8.485 3.403 449 H VAL 62 H VAL 62 -4.470 3.797 6.033 450 HA VAL 62 HA VAL 62 -4.893 1.892 4.086 451 HB VAL 62 HB VAL 62 -5.686 1.747 6.998 452 HG11 VAL 62 1HG1 VAL 62 -5.030 -0.798 6.090 453 HG12 VAL 62 2HG1 VAL 62 -6.641 -0.197 6.486 454 HG13 VAL 62 3HG1 VAL 62 -6.053 -0.121 4.823 455 HG21 VAL 62 3HG2 VAL 62 -3.185 0.831 5.580 456 HG22 VAL 62 1HG2 VAL 62 -3.318 2.234 6.641 457 HG23 VAL 62 2HG2 VAL 62 -3.544 0.611 7.292 458 H SER 63 H SER 63 -7.274 3.675 5.977 459 HA SER 63 HA SER 63 -9.569 2.248 5.378 460 HB2 SER 63 1HB SER 63 -9.242 4.324 6.898 461 HB3 SER 63 2HB SER 63 -9.578 5.256 5.439 462 HG SER 63 HG SER 63 -11.357 4.372 7.025 463 H PHE 64 H PHE 64 -7.616 4.195 3.319 464 HA PHE 64 HA PHE 64 -9.679 4.501 1.298 465 HB2 PHE 64 1HB PHE 64 -6.887 5.484 1.659 466 HB3 PHE 64 2HB PHE 64 -7.522 5.384 0.020 467 HD1 PHE 64 2HD PHE 64 -9.048 6.389 3.274 468 HD2 PHE 64 1HD PHE 64 -8.071 7.482 -0.723 469 HE1 PHE 64 2HE PHE 64 -10.188 8.546 3.588 470 HE2 PHE 64 1HE PHE 64 -9.209 9.642 -0.414 471 HZ PHE 64 HZ PHE 64 -10.271 10.176 1.744 472 H VAL 65 H VAL 65 -7.074 2.372 2.072 473 HA VAL 65 HA VAL 65 -7.307 1.072 -0.561 474 HB VAL 65 HB VAL 65 -5.158 0.084 -0.211 475 HG11 VAL 65 1HG1 VAL 65 -5.250 3.010 0.477 476 HG12 VAL 65 2HG1 VAL 65 -3.740 2.149 0.172 477 HG13 VAL 65 3HG1 VAL 65 -4.962 2.264 -1.095 478 HG21 VAL 65 3HG2 VAL 65 -5.771 0.345 2.509 479 HG22 VAL 65 1HG2 VAL 65 -4.321 -0.364 1.800 480 HG23 VAL 65 2HG2 VAL 65 -4.341 1.343 2.243 481 H HIS 66 H HIS 66 -7.118 -1.320 -0.543 482 HA HIS 66 HA HIS 66 -8.222 -2.536 1.894 483 HB2 HIS 66 1HB HIS 66 -10.010 -3.508 0.822 484 HB3 HIS 66 2HB HIS 66 -9.888 -2.008 -0.093 485 HD1 HIS 66 1HD HIS 66 -8.781 -2.190 -2.490 486 HD2 HIS 66 2HD HIS 66 -9.608 -5.813 -0.631 487 HE1 HIS 66 1HE HIS 66 -8.650 -3.922 -4.306 488 HE2 HIS 66 2HE HIS 66 -9.237 -6.095 -3.175 489 H ILE 67 H ILE 67 -7.065 -4.225 2.529 490 HA ILE 67 HA ILE 67 -4.814 -5.178 1.211 491 HB ILE 67 HB ILE 67 -6.486 -6.660 3.243 492 HG12 ILE 67 1HG1 ILE 67 -3.981 -5.131 3.856 493 HG13 ILE 67 2HG1 ILE 67 -5.517 -4.279 3.744 494 HG21 ILE 67 1HG2 ILE 67 -4.965 -8.286 3.240 495 HG22 ILE 67 2HG2 ILE 67 -4.361 -7.591 1.736 496 HG23 ILE 67 3HG2 ILE 67 -3.628 -7.137 3.274 497 HD11 ILE 67 3HD1 ILE 67 -4.927 -6.580 5.591 498 HD12 ILE 67 1HD1 ILE 67 -4.959 -4.875 6.043 499 HD13 ILE 67 2HD1 ILE 67 -6.436 -5.673 5.502 500 H LEU 68 H LEU 68 -4.586 -6.388 -0.541 501 HA LEU 68 HA LEU 68 -6.817 -7.685 -1.774 502 HB2 LEU 68 1HB LEU 68 -3.892 -7.895 -2.468 503 HB3 LEU 68 2HB LEU 68 -5.253 -8.329 -3.502 504 HG LEU 68 HG LEU 68 -5.038 -5.516 -2.545 505 HD11 LEU 68 1HD1 LEU 68 -3.108 -6.877 -4.317 506 HD12 LEU 68 2HD1 LEU 68 -2.911 -5.448 -3.303 507 HD13 LEU 68 3HD1 LEU 68 -3.720 -5.316 -4.865 508 HD21 LEU 68 3HD2 LEU 68 -5.771 -5.332 -5.067 509 HD22 LEU 68 1HD2 LEU 68 -6.930 -5.758 -3.807 510 HD23 LEU 68 2HD2 LEU 68 -6.227 -7.018 -4.822 511 H SER 69 H SER 69 -7.603 -9.557 -1.086 512 HA SER 69 HA SER 69 -5.704 -11.648 -0.248 513 HB2 SER 69 1HB SER 69 -6.849 -10.856 1.732 514 HB3 SER 69 2HB SER 69 -8.416 -11.010 0.938 515 HG SER 69 HG SER 69 -8.063 -13.266 0.852 516 H ASP 70 H ASP 70 -5.696 -13.201 -1.721 517 HA ASP 70 HA ASP 70 -8.218 -13.868 -3.090 518 HB2 ASP 70 1HB ASP 70 -6.642 -14.939 -4.803 519 HB3 ASP 70 2HB ASP 70 -6.685 -13.179 -4.743 520 H SER 71 H SER 71 -9.148 -15.646 -2.343 521 HA SER 71 HA SER 71 -7.503 -18.001 -1.807 522 HB2 SER 71 1HB SER 71 -8.415 -18.413 0.346 523 HB3 SER 71 2HB SER 71 -7.955 -16.712 0.354 524 HG SER 71 HG SER 71 -10.563 -17.739 -0.099 525 H GLY 72 H GLY 72 -9.003 -19.946 -1.348 526 HA2 GLY 72 1HA GLY 72 -11.519 -19.720 -2.849 527 HA3 GLY 72 2HA GLY 72 -10.324 -20.901 -3.368 528 HA PRO 73 HA PRO 73 -13.252 -22.630 -0.071 529 HB2 PRO 73 1HB PRO 73 -14.574 -24.385 -1.665 530 HB3 PRO 73 2HB PRO 73 -15.119 -22.724 -1.406 531 HG2 PRO 73 1HG PRO 73 -13.581 -23.877 -3.701 532 HG3 PRO 73 2HG PRO 73 -14.937 -22.734 -3.724 533 HD2 PRO 73 1HD PRO 73 -12.363 -21.946 -4.013 534 HD3 PRO 73 2HD PRO 73 -13.590 -20.931 -3.228 535 H SER 74 H SER 74 -12.218 -24.109 1.101 536 HA SER 74 HA SER 74 -10.193 -25.787 0.052 537 HB2 SER 74 1HB SER 74 -10.124 -26.766 2.317 538 HB3 SER 74 2HB SER 74 -10.151 -25.004 2.375 539 HG SER 74 HG SER 74 -11.760 -25.346 3.694 540 H SER 75 H SER 75 -13.488 -26.450 1.202 541 HA SER 75 HA SER 75 -13.428 -29.228 0.742 542 HB2 SER 75 1HB SER 75 -15.878 -29.118 0.910 543 HB3 SER 75 2HB SER 75 -15.117 -28.151 2.172 544 HG SER 75 HG SER 75 -15.728 -26.863 -0.218 545 H GLY 76 H GLY 76 -13.677 -30.427 -1.043 546 HA2 GLY 76 1HA GLY 76 -14.039 -29.008 -3.582 547 HA3 GLY 76 2HA GLY 76 -13.388 -30.629 -3.387 Start of MODEL 11 1 H1 GLY 1 H GLY 1 25.170 -16.070 -5.018 2 HA2 GLY 1 1HA GLY 1 23.084 -16.815 -3.314 3 HA3 GLY 1 2HA GLY 1 24.738 -16.509 -2.808 4 H SER 2 H SER 2 23.353 -15.813 -0.876 5 HA SER 2 HA SER 2 23.425 -12.974 -0.737 6 HB2 SER 2 1HB SER 2 20.771 -14.328 -1.068 7 HB3 SER 2 2HB SER 2 20.893 -12.890 -0.054 8 HG SER 2 HG SER 2 22.034 -11.992 -2.011 9 H SER 3 H SER 3 24.449 -12.904 1.158 10 HA SER 3 HA SER 3 24.280 -14.771 3.218 11 HB2 SER 3 1HB SER 3 25.360 -13.053 4.629 12 HB3 SER 3 2HB SER 3 26.121 -13.166 3.042 13 HG SER 3 HG SER 3 25.435 -10.991 4.038 14 H GLY 4 H GLY 4 22.750 -15.219 4.653 15 HA2 GLY 4 1HA GLY 4 21.317 -14.355 6.447 16 HA3 GLY 4 2HA GLY 4 20.812 -13.094 5.332 17 H SER 5 H SER 5 18.624 -13.671 5.673 18 HA SER 5 HA SER 5 17.672 -15.649 3.832 19 HB2 SER 5 1HB SER 5 16.501 -17.068 5.408 20 HB3 SER 5 2HB SER 5 18.211 -17.041 5.835 21 HG SER 5 HG SER 5 17.715 -15.528 7.458 22 H SER 6 H SER 6 16.274 -14.332 2.843 23 HA SER 6 HA SER 6 14.808 -12.287 4.168 24 HB2 SER 6 1HB SER 6 14.504 -13.504 1.414 25 HB3 SER 6 2HB SER 6 13.599 -12.098 1.976 26 HG SER 6 HG SER 6 15.767 -11.182 2.423 27 H GLY 7 H GLY 7 13.225 -12.695 5.565 28 HA2 GLY 7 1HA GLY 7 11.000 -14.366 4.734 29 HA3 GLY 7 2HA GLY 7 11.876 -14.934 6.148 30 H ASN 8 H ASN 8 9.669 -12.582 4.893 31 HA ASN 8 HA ASN 8 8.966 -11.826 7.623 32 HB2 ASN 8 1HB ASN 8 9.608 -9.819 5.450 33 HB3 ASN 8 2HB ASN 8 8.867 -9.420 6.998 34 HD21 ASN 8 1HD2 ASN 8 10.288 -8.475 8.256 35 HD22 ASN 8 2HD2 ASN 8 11.942 -8.933 8.454 36 H LYS 9 H LYS 9 6.920 -10.427 7.586 37 HA LYS 9 HA LYS 9 5.021 -11.732 5.801 38 HB2 LYS 9 1HB LYS 9 4.772 -10.148 8.340 39 HB3 LYS 9 2HB LYS 9 3.366 -10.422 7.320 40 HG2 LYS 9 1HG LYS 9 5.055 -12.729 8.183 41 HG3 LYS 9 2HG LYS 9 3.867 -12.032 9.288 42 HD2 LYS 9 1HD LYS 9 2.184 -12.306 7.397 43 HD3 LYS 9 2HD LYS 9 3.399 -13.312 6.606 44 HE2 LYS 9 1HE LYS 9 3.462 -14.629 8.802 45 HE3 LYS 9 2HE LYS 9 1.963 -13.790 9.200 46 HZ1 LYS 9 3HZ LYS 9 2.390 -15.991 7.435 47 HZ2 LYS 9 1HZ LYS 9 1.572 -14.726 6.663 48 HZ3 LYS 9 2HZ LYS 9 0.944 -15.398 8.083 49 H VAL 10 H VAL 10 4.502 -10.797 3.947 50 HA VAL 10 HA VAL 10 4.872 -7.925 3.603 51 HB VAL 10 HB VAL 10 4.590 -8.294 1.248 52 HG11 VAL 10 1HG1 VAL 10 6.624 -9.192 0.961 53 HG12 VAL 10 2HG1 VAL 10 6.646 -9.322 2.721 54 HG13 VAL 10 3HG1 VAL 10 6.170 -10.707 1.740 55 HG21 VAL 10 3HG2 VAL 10 4.344 -11.062 0.933 56 HG22 VAL 10 1HG2 VAL 10 3.130 -10.612 2.132 57 HG23 VAL 10 2HG2 VAL 10 3.140 -9.832 0.551 58 H ARG 11 H ARG 11 3.206 -6.643 2.517 59 HA ARG 11 HA ARG 11 0.470 -7.619 2.847 60 HB2 ARG 11 1HB ARG 11 1.739 -5.419 4.380 61 HB3 ARG 11 2HB ARG 11 0.109 -5.130 3.788 62 HG2 ARG 11 1HG ARG 11 0.639 -7.686 5.196 63 HG3 ARG 11 2HG ARG 11 0.569 -6.204 6.152 64 HD2 ARG 11 1HD ARG 11 -1.634 -5.732 4.984 65 HD3 ARG 11 2HD ARG 11 -1.565 -7.395 4.401 66 HE ARG 11 HE ARG 11 -2.254 -8.074 6.460 67 HH11 ARG 11 1HH1 ARG 11 -0.827 -4.913 6.764 68 HH12 ARG 11 2HH1 ARG 11 -1.212 -4.758 8.446 69 HH21 ARG 11 1HH2 ARG 11 -2.766 -7.881 8.675 70 HH22 ARG 11 2HH2 ARG 11 -2.314 -6.446 9.532 71 H ARG 12 H ARG 12 -0.342 -7.414 0.866 72 HA ARG 12 HA ARG 12 0.352 -5.029 -0.709 73 HB2 ARG 12 1HB ARG 12 0.716 -7.486 -1.539 74 HB3 ARG 12 2HB ARG 12 -1.010 -7.432 -1.868 75 HG2 ARG 12 1HG ARG 12 -0.723 -5.587 -3.375 76 HG3 ARG 12 2HG ARG 12 0.984 -5.455 -2.949 77 HD2 ARG 12 1HD ARG 12 -0.084 -8.029 -4.027 78 HD3 ARG 12 2HD ARG 12 0.262 -6.697 -5.130 79 HE ARG 12 HE ARG 12 2.446 -7.235 -3.374 80 HH11 ARG 12 1HH1 ARG 12 0.865 -8.284 -6.293 81 HH12 ARG 12 2HH1 ARG 12 2.295 -8.989 -6.970 82 HH21 ARG 12 1HH2 ARG 12 4.337 -8.160 -4.254 83 HH22 ARG 12 2HH2 ARG 12 4.269 -8.919 -5.808 84 H VAL 13 H VAL 13 -1.135 -3.505 -0.953 85 HA VAL 13 HA VAL 13 -3.969 -4.234 -0.584 86 HB VAL 13 HB VAL 13 -4.341 -1.916 0.213 87 HG11 VAL 13 1HG1 VAL 13 -2.444 -2.564 2.224 88 HG12 VAL 13 2HG1 VAL 13 -4.188 -2.832 2.229 89 HG13 VAL 13 3HG1 VAL 13 -3.106 -4.070 1.590 90 HG21 VAL 13 3HG2 VAL 13 -2.122 -0.816 1.061 91 HG22 VAL 13 1HG2 VAL 13 -1.395 -1.764 -0.236 92 HG23 VAL 13 2HG2 VAL 13 -2.651 -0.582 -0.606 93 H LYS 14 H LYS 14 -5.367 -2.275 -1.498 94 HA LYS 14 HA LYS 14 -4.293 -1.308 -4.032 95 HB2 LYS 14 1HB LYS 14 -5.281 -3.455 -4.620 96 HB3 LYS 14 2HB LYS 14 -6.784 -3.009 -3.823 97 HG2 LYS 14 1HG LYS 14 -6.660 -0.988 -5.528 98 HG3 LYS 14 2HG LYS 14 -5.691 -2.148 -6.441 99 HD2 LYS 14 1HD LYS 14 -7.686 -3.766 -5.853 100 HD3 LYS 14 2HD LYS 14 -8.572 -2.249 -5.684 101 HE2 LYS 14 1HE LYS 14 -7.512 -1.691 -7.996 102 HE3 LYS 14 2HE LYS 14 -7.282 -3.436 -8.106 103 HZ1 LYS 14 3HZ LYS 14 -9.370 -3.565 -8.794 104 HZ2 LYS 14 1HZ LYS 14 -9.646 -1.923 -8.492 105 HZ3 LYS 14 2HZ LYS 14 -9.883 -3.061 -7.263 106 H THR 15 H THR 15 -4.789 0.766 -4.219 107 HA THR 15 HA THR 15 -6.448 2.156 -2.450 108 HB THR 15 HB THR 15 -6.269 4.060 -4.022 109 HG1 THR 15 1HG THR 15 -6.276 3.188 -6.030 110 HG21 THR 15 3HG2 THR 15 -3.846 2.471 -3.268 111 HG22 THR 15 1HG2 THR 15 -4.447 3.982 -2.587 112 HG23 THR 15 2HG2 THR 15 -3.673 3.975 -4.171 113 H ILE 16 H ILE 16 -8.522 1.413 -2.294 114 HA ILE 16 HA ILE 16 -10.145 0.874 -4.594 115 HB ILE 16 HB ILE 16 -12.014 0.783 -2.873 116 HG12 ILE 16 1HG1 ILE 16 -9.740 0.870 -0.892 117 HG13 ILE 16 2HG1 ILE 16 -10.739 2.274 -1.252 118 HG21 ILE 16 1HG2 ILE 16 -9.591 -0.970 -2.833 119 HG22 ILE 16 2HG2 ILE 16 -10.959 -1.309 -1.778 120 HG23 ILE 16 3HG2 ILE 16 -11.182 -1.280 -3.527 121 HD11 ILE 16 3HD1 ILE 16 -11.220 0.447 0.708 122 HD12 ILE 16 1HD1 ILE 16 -12.419 1.536 0.009 123 HD13 ILE 16 2HD1 ILE 16 -12.271 -0.116 -0.590 124 H TYR 17 H TYR 17 -9.243 3.693 -2.974 125 HA TYR 17 HA TYR 17 -11.367 5.186 -4.345 126 HB2 TYR 17 1HB TYR 17 -10.432 5.707 -1.515 127 HB3 TYR 17 2HB TYR 17 -11.570 6.703 -2.416 128 HD1 TYR 17 1HD TYR 17 -13.335 4.756 -3.657 129 HD2 TYR 17 2HD TYR 17 -11.608 4.740 0.232 130 HE1 TYR 17 1HE TYR 17 -15.196 3.369 -2.843 131 HE2 TYR 17 2HE TYR 17 -13.464 3.353 1.056 132 HH TYR 17 HH TYR 17 -16.086 3.046 0.126 133 H ASP 18 H ASP 18 -10.807 7.304 -4.979 134 HA ASP 18 HA ASP 18 -8.057 7.621 -5.679 135 HB2 ASP 18 1HB ASP 18 -10.001 9.881 -5.897 136 HB3 ASP 18 2HB ASP 18 -8.746 9.369 -7.024 137 H CYS 19 H CYS 19 -6.606 9.226 -5.019 138 HA CYS 19 HA CYS 19 -7.303 10.970 -2.817 139 HB2 CYS 19 1HB CYS 19 -6.543 8.576 -1.990 140 HB3 CYS 19 2HB CYS 19 -4.937 9.212 -2.327 141 HG CYS 19 HG CYS 19 -5.223 9.560 0.356 142 H GLN 20 H GLN 20 -6.484 12.857 -3.412 143 HA GLN 20 HA GLN 20 -4.032 12.914 -5.015 144 HB2 GLN 20 1HB GLN 20 -5.938 14.105 -5.953 145 HB3 GLN 20 2HB GLN 20 -6.099 15.054 -4.482 146 HG2 GLN 20 1HG GLN 20 -5.026 16.492 -5.944 147 HG3 GLN 20 2HG GLN 20 -3.711 15.846 -4.964 148 HE21 GLN 20 1HE2 GLN 20 -5.117 16.035 -8.096 149 HE22 GLN 20 2HE2 GLN 20 -3.867 15.201 -8.948 150 H ALA 21 H ALA 21 -2.686 12.448 -3.162 151 HA ALA 21 HA ALA 21 -2.496 13.754 -0.785 152 HB1 ALA 21 3HB ALA 21 -1.039 11.893 -1.518 153 HB2 ALA 21 1HB ALA 21 -0.124 13.037 -2.500 154 HB3 ALA 21 2HB ALA 21 -0.152 13.206 -0.744 155 H ASP 22 H ASP 22 -1.757 15.678 -0.017 156 HA ASP 22 HA ASP 22 -0.984 17.686 -2.030 157 HB2 ASP 22 1HB ASP 22 -2.787 17.811 0.334 158 HB3 ASP 22 2HB ASP 22 -1.822 19.241 -0.022 159 H ASN 23 H ASN 23 0.732 15.823 -0.481 160 HA ASN 23 HA ASN 23 2.689 17.762 0.347 161 HB2 ASN 23 1HB ASN 23 1.421 15.905 2.364 162 HB3 ASN 23 2HB ASN 23 2.981 16.681 2.622 163 HD21 ASN 23 1HD2 ASN 23 -0.293 16.936 3.081 164 HD22 ASN 23 2HD2 ASN 23 -0.389 18.623 3.437 165 H ASP 24 H ASP 24 4.693 17.025 -0.036 166 HA ASP 24 HA ASP 24 5.255 14.813 -1.519 167 HB2 ASP 24 1HB ASP 24 6.789 16.772 -0.813 168 HB3 ASP 24 2HB ASP 24 7.216 15.752 0.559 169 H ASP 25 H ASP 25 5.164 15.020 2.007 170 HA ASP 25 HA ASP 25 6.169 12.504 2.634 171 HB2 ASP 25 1HB ASP 25 4.230 14.340 4.006 172 HB3 ASP 25 2HB ASP 25 4.573 12.748 4.679 173 H GLU 26 H GLU 26 2.829 13.481 1.938 174 HA GLU 26 HA GLU 26 1.802 10.820 2.239 175 HB2 GLU 26 1HB GLU 26 0.676 13.444 1.343 176 HB3 GLU 26 2HB GLU 26 -0.216 11.966 1.012 177 HG2 GLU 26 1HG GLU 26 0.753 12.423 3.780 178 HG3 GLU 26 2HG GLU 26 -0.611 13.379 3.203 179 H LEU 27 H LEU 27 1.367 9.315 0.703 180 HA LEU 27 HA LEU 27 2.689 9.622 -1.846 181 HB2 LEU 27 1HB LEU 27 2.857 7.531 -0.600 182 HB3 LEU 27 2HB LEU 27 1.110 7.324 -0.697 183 HG LEU 27 HG LEU 27 1.377 7.205 -3.202 184 HD11 LEU 27 1HD1 LEU 27 3.811 8.208 -2.870 185 HD12 LEU 27 2HD1 LEU 27 3.407 7.147 -4.219 186 HD13 LEU 27 3HD1 LEU 27 4.227 6.495 -2.801 187 HD21 LEU 27 3HD2 LEU 27 2.328 4.867 -3.110 188 HD22 LEU 27 1HD2 LEU 27 0.971 5.191 -2.031 189 HD23 LEU 27 2HD2 LEU 27 2.613 5.144 -1.391 190 H THR 28 H THR 28 1.769 10.106 -3.734 191 HA THR 28 HA THR 28 -1.099 10.601 -3.796 192 HB THR 28 HB THR 28 0.893 11.123 -6.005 193 HG1 THR 28 1HG THR 28 1.532 12.828 -4.924 194 HG21 THR 28 3HG2 THR 28 -1.794 12.359 -5.390 195 HG22 THR 28 1HG2 THR 28 -1.488 11.154 -6.641 196 HG23 THR 28 2HG2 THR 28 -0.753 12.753 -6.757 197 H PHE 29 H PHE 29 -2.506 9.201 -4.604 198 HA PHE 29 HA PHE 29 -1.727 7.456 -6.808 199 HB2 PHE 29 1HB PHE 29 -2.746 5.481 -5.655 200 HB3 PHE 29 2HB PHE 29 -1.260 6.055 -4.908 201 HD1 PHE 29 2HD PHE 29 -4.944 6.085 -4.610 202 HD2 PHE 29 1HD PHE 29 -1.216 6.747 -2.666 203 HE1 PHE 29 2HE PHE 29 -6.107 6.269 -2.449 204 HE2 PHE 29 1HE PHE 29 -2.372 6.930 -0.503 205 HZ PHE 29 HZ PHE 29 -4.821 6.693 -0.392 206 H ILE 30 H ILE 30 -3.845 5.984 -7.253 207 HA ILE 30 HA ILE 30 -6.261 7.596 -6.977 208 HB ILE 30 HB ILE 30 -6.777 7.462 -9.375 209 HG12 ILE 30 1HG1 ILE 30 -3.934 6.781 -9.989 210 HG13 ILE 30 2HG1 ILE 30 -5.039 5.472 -9.584 211 HG21 ILE 30 1HG2 ILE 30 -5.776 9.491 -8.507 212 HG22 ILE 30 2HG2 ILE 30 -4.162 8.822 -8.742 213 HG23 ILE 30 3HG2 ILE 30 -5.182 9.173 -10.137 214 HD11 ILE 30 3HD1 ILE 30 -6.558 6.499 -11.391 215 HD12 ILE 30 1HD1 ILE 30 -5.097 7.333 -11.919 216 HD13 ILE 30 2HD1 ILE 30 -5.143 5.570 -11.889 217 H GLU 31 H GLU 31 -8.211 6.441 -7.495 218 HA GLU 31 HA GLU 31 -8.372 3.889 -6.483 219 HB2 GLU 31 1HB GLU 31 -10.328 5.314 -6.772 220 HB3 GLU 31 2HB GLU 31 -10.186 5.192 -8.520 221 HG2 GLU 31 1HG GLU 31 -10.384 2.618 -8.026 222 HG3 GLU 31 2HG GLU 31 -11.160 3.193 -6.551 223 H GLY 32 H GLY 32 -7.752 1.954 -7.179 224 HA2 GLY 32 1HA GLY 32 -7.736 0.213 -8.816 225 HA3 GLY 32 2HA GLY 32 -7.672 1.441 -10.072 226 H GLU 33 H GLU 33 -5.651 1.420 -7.196 227 HA GLU 33 HA GLU 33 -3.337 0.759 -8.896 228 HB2 GLU 33 1HB GLU 33 -3.615 2.936 -6.831 229 HB3 GLU 33 2HB GLU 33 -2.046 2.339 -7.350 230 HG2 GLU 33 1HG GLU 33 -4.064 3.332 -9.325 231 HG3 GLU 33 2HG GLU 33 -2.983 4.434 -8.475 232 H VAL 34 H VAL 34 -1.401 0.091 -7.573 233 HA VAL 34 HA VAL 34 -2.262 -1.481 -5.232 234 HB VAL 34 HB VAL 34 -0.170 -2.265 -7.266 235 HG11 VAL 34 1HG1 VAL 34 0.566 -3.740 -5.781 236 HG12 VAL 34 2HG1 VAL 34 -0.546 -3.074 -4.583 237 HG13 VAL 34 3HG1 VAL 34 -1.055 -4.412 -5.614 238 HG21 VAL 34 3HG2 VAL 34 -1.995 -2.830 -8.460 239 HG22 VAL 34 1HG2 VAL 34 -2.051 -4.207 -7.360 240 HG23 VAL 34 2HG2 VAL 34 -3.057 -2.791 -7.053 241 H ILE 35 H ILE 35 -0.918 -1.546 -3.466 242 HA ILE 35 HA ILE 35 1.599 -0.041 -3.612 243 HB ILE 35 HB ILE 35 -0.488 0.315 -1.458 244 HG12 ILE 35 1HG1 ILE 35 0.576 2.363 -3.408 245 HG13 ILE 35 2HG1 ILE 35 -0.901 1.446 -3.686 246 HG21 ILE 35 1HG2 ILE 35 1.240 0.856 -0.161 247 HG22 ILE 35 2HG2 ILE 35 2.365 0.815 -1.516 248 HG23 ILE 35 3HG2 ILE 35 1.441 2.279 -1.182 249 HD11 ILE 35 3HD1 ILE 35 -0.559 3.843 -2.235 250 HD12 ILE 35 1HD1 ILE 35 -2.039 2.924 -2.509 251 HD13 ILE 35 2HD1 ILE 35 -1.040 2.587 -1.094 252 H ILE 36 H ILE 36 3.254 -1.005 -2.608 253 HA ILE 36 HA ILE 36 2.768 -3.522 -1.248 254 HB ILE 36 HB ILE 36 5.361 -2.153 -1.975 255 HG12 ILE 36 1HG1 ILE 36 4.295 -2.827 -3.982 256 HG13 ILE 36 2HG1 ILE 36 5.457 -4.099 -3.622 257 HG21 ILE 36 1HG2 ILE 36 6.428 -4.286 -1.443 258 HG22 ILE 36 2HG2 ILE 36 5.628 -3.600 -0.031 259 HG23 ILE 36 3HG2 ILE 36 4.877 -4.933 -0.910 260 HD11 ILE 36 3HD1 ILE 36 3.698 -5.419 -4.082 261 HD12 ILE 36 1HD1 ILE 36 3.303 -5.103 -2.393 262 HD13 ILE 36 2HD1 ILE 36 2.516 -4.175 -3.670 263 H VAL 37 H VAL 37 2.068 -3.218 0.799 264 HA VAL 37 HA VAL 37 2.942 -1.139 2.512 265 HB VAL 37 HB VAL 37 1.658 -3.765 3.273 266 HG11 VAL 37 1HG1 VAL 37 2.745 -1.740 4.876 267 HG12 VAL 37 2HG1 VAL 37 0.995 -1.530 4.948 268 HG13 VAL 37 3HG1 VAL 37 1.717 -3.078 5.384 269 HG21 VAL 37 3HG2 VAL 37 0.130 -1.223 3.083 270 HG22 VAL 37 1HG2 VAL 37 0.532 -2.065 1.587 271 HG23 VAL 37 2HG2 VAL 37 -0.405 -2.886 2.836 272 H THR 38 H THR 38 4.991 -0.970 3.156 273 HA THR 38 HA THR 38 6.406 -3.414 3.996 274 HB THR 38 HB THR 38 8.504 -2.157 3.636 275 HG1 THR 38 1HG THR 38 6.870 -0.166 2.423 276 HG21 THR 38 3HG2 THR 38 7.476 -1.710 1.003 277 HG22 THR 38 1HG2 THR 38 6.743 -3.166 1.672 278 HG23 THR 38 2HG2 THR 38 8.499 -3.023 1.584 279 H GLY 39 H GLY 39 5.713 -0.053 4.845 280 HA2 GLY 39 1HA GLY 39 6.575 -0.675 7.603 281 HA3 GLY 39 2HA GLY 39 6.844 0.895 6.860 282 H GLU 40 H GLU 40 4.541 -1.211 8.377 283 HA GLU 40 HA GLU 40 2.280 0.508 7.952 284 HB2 GLU 40 1HB GLU 40 2.683 -1.811 9.850 285 HB3 GLU 40 2HB GLU 40 1.152 -0.992 9.580 286 HG2 GLU 40 1HG GLU 40 0.917 -2.781 8.192 287 HG3 GLU 40 2HG GLU 40 1.612 -1.604 7.079 288 H GLU 41 H GLU 41 2.827 2.534 8.741 289 HA GLU 41 HA GLU 41 4.049 3.151 11.143 290 HB2 GLU 41 1HB GLU 41 2.154 4.583 9.345 291 HB3 GLU 41 2HB GLU 41 2.440 5.262 10.940 292 HG2 GLU 41 1HG GLU 41 4.771 4.507 9.251 293 HG3 GLU 41 2HG GLU 41 3.887 5.990 8.892 294 H ASP 42 H ASP 42 0.561 2.855 10.497 295 HA ASP 42 HA ASP 42 0.149 2.050 13.268 296 HB2 ASP 42 1HB ASP 42 -1.588 4.209 12.083 297 HB3 ASP 42 2HB ASP 42 -1.503 3.676 13.759 298 H GLN 43 H GLN 43 -2.411 1.689 13.501 299 HA GLN 43 HA GLN 43 -3.013 -0.372 11.597 300 HB2 GLN 43 1HB GLN 43 -3.526 -0.410 14.096 301 HB3 GLN 43 2HB GLN 43 -4.862 0.673 13.734 302 HG2 GLN 43 1HG GLN 43 -5.862 -1.407 13.755 303 HG3 GLN 43 2HG GLN 43 -5.580 -1.120 12.040 304 HE21 GLN 43 1HE2 GLN 43 -4.391 -2.798 14.883 305 HE22 GLN 43 2HE2 GLN 43 -3.557 -4.047 14.030 306 H GLU 44 H GLU 44 -3.400 2.903 11.510 307 HA GLU 44 HA GLU 44 -5.749 2.691 9.743 308 HB2 GLU 44 1HB GLU 44 -4.923 4.949 11.569 309 HB3 GLU 44 2HB GLU 44 -6.146 5.119 10.316 310 HG2 GLU 44 1HG GLU 44 -6.336 3.039 12.470 311 HG3 GLU 44 2HG GLU 44 -6.957 4.677 12.675 312 H TRP 45 H TRP 45 -2.472 3.526 10.036 313 HA TRP 45 HA TRP 45 -2.509 4.650 7.321 314 HB2 TRP 45 1HB TRP 45 -0.901 5.692 9.662 315 HB3 TRP 45 2HB TRP 45 -0.670 6.196 7.990 316 HD1 TRP 45 HD TRP 45 -3.212 6.463 10.862 317 HE1 TRP 45 1HE TRP 45 -4.760 8.465 10.390 318 HE3 TRP 45 3HE TRP 45 -1.582 7.662 6.167 319 HZ2 TRP 45 2HZ TRP 45 -5.229 10.308 8.304 320 HZ3 TRP 45 3HZ TRP 45 -2.634 9.558 5.002 321 HH2 TRP 45 HH TRP 45 -4.419 10.851 6.050 322 H TRP 46 H TRP 46 -1.235 3.565 5.978 323 HA TRP 46 HA TRP 46 1.000 2.016 7.116 324 HB2 TRP 46 1HB TRP 46 -0.928 1.292 4.912 325 HB3 TRP 46 2HB TRP 46 0.614 0.466 5.121 326 HD1 TRP 46 HD TRP 46 -0.052 0.905 8.512 327 HE1 TRP 46 1HE TRP 46 -1.434 -0.997 9.558 328 HE3 TRP 46 3HE TRP 46 -1.937 -1.174 4.238 329 HZ2 TRP 46 2HZ TRP 46 -3.103 -3.101 8.687 330 HZ3 TRP 46 3HZ TRP 46 -3.417 -3.129 4.432 331 HH2 TRP 46 HH TRP 46 -3.987 -4.072 6.612 332 H ILE 47 H ILE 47 2.753 1.552 5.535 333 HA ILE 47 HA ILE 47 3.066 3.758 3.607 334 HB ILE 47 HB ILE 47 5.338 2.531 5.163 335 HG12 ILE 47 1HG1 ILE 47 3.989 5.177 5.725 336 HG13 ILE 47 2HG1 ILE 47 3.661 3.706 6.634 337 HG21 ILE 47 1HG2 ILE 47 5.325 5.221 3.857 338 HG22 ILE 47 2HG2 ILE 47 6.686 4.169 4.241 339 HG23 ILE 47 3HG2 ILE 47 5.615 3.768 2.899 340 HD11 ILE 47 3HD1 ILE 47 5.724 3.716 7.646 341 HD12 ILE 47 1HD1 ILE 47 6.463 4.688 6.374 342 HD13 ILE 47 2HD1 ILE 47 5.365 5.438 7.533 343 H GLY 48 H GLY 48 3.700 3.225 1.596 344 HA2 GLY 48 1HA GLY 48 5.173 0.831 1.018 345 HA3 GLY 48 2HA GLY 48 3.482 0.702 0.555 346 H HIS 49 H HIS 49 5.769 0.622 -1.188 347 HA HIS 49 HA HIS 49 5.522 3.149 -2.663 348 HB2 HIS 49 1HB HIS 49 7.506 2.309 -3.943 349 HB3 HIS 49 2HB HIS 49 7.809 2.555 -2.226 350 HD1 HIS 49 1HD HIS 49 6.506 -0.428 -4.213 351 HD2 HIS 49 2HD HIS 49 9.380 0.541 -1.373 352 HE1 HIS 49 1HE HIS 49 7.669 -2.591 -3.669 353 HE2 HIS 49 2HE HIS 49 9.347 -1.995 -1.887 354 H ILE 50 H ILE 50 4.797 3.225 -4.754 355 HA ILE 50 HA ILE 50 2.904 1.365 -5.598 356 HB ILE 50 HB ILE 50 4.437 3.323 -7.314 357 HG12 ILE 50 1HG1 ILE 50 3.210 4.275 -5.322 358 HG13 ILE 50 2HG1 ILE 50 2.684 4.890 -6.885 359 HG21 ILE 50 1HG2 ILE 50 3.416 2.101 -8.925 360 HG22 ILE 50 2HG2 ILE 50 2.167 1.503 -7.835 361 HG23 ILE 50 3HG2 ILE 50 2.050 3.132 -8.500 362 HD11 ILE 50 3HD1 ILE 50 0.802 4.447 -5.411 363 HD12 ILE 50 1HD1 ILE 50 0.762 3.402 -6.831 364 HD13 ILE 50 2HD1 ILE 50 1.295 2.760 -5.276 365 H GLU 51 H GLU 51 3.175 -0.647 -6.276 366 HA GLU 51 HA GLU 51 5.372 -2.090 -6.700 367 HB2 GLU 51 1HB GLU 51 2.928 -2.804 -6.963 368 HB3 GLU 51 2HB GLU 51 3.089 -2.337 -8.650 369 HG2 GLU 51 1HG GLU 51 4.832 -4.367 -7.276 370 HG3 GLU 51 2HG GLU 51 3.406 -4.756 -8.237 371 H GLY 52 H GLY 52 3.721 -0.638 -9.516 372 HA2 GLY 52 1HA GLY 52 5.843 -1.041 -11.305 373 HA3 GLY 52 2HA GLY 52 4.540 0.119 -11.520 374 H GLN 53 H GLN 53 5.226 1.541 -9.030 375 HA GLN 53 HA GLN 53 7.715 2.840 -9.928 376 HB2 GLN 53 1HB GLN 53 5.074 3.993 -9.173 377 HB3 GLN 53 2HB GLN 53 6.520 4.892 -8.729 378 HG2 GLN 53 1HG GLN 53 5.535 5.592 -10.882 379 HG3 GLN 53 2HG GLN 53 7.205 5.045 -11.013 380 HE21 GLN 53 1HE2 GLN 53 3.871 3.916 -11.349 381 HE22 GLN 53 2HE2 GLN 53 4.187 2.819 -12.645 382 HA PRO 54 HA PRO 54 8.604 1.456 -5.683 383 HB2 PRO 54 1HB PRO 54 11.292 1.377 -6.055 384 HB3 PRO 54 2HB PRO 54 10.216 0.061 -6.540 385 HG2 PRO 54 1HG PRO 54 11.406 2.245 -8.205 386 HG3 PRO 54 2HG PRO 54 11.239 0.520 -8.577 387 HD2 PRO 54 1HD PRO 54 9.547 2.392 -9.560 388 HD3 PRO 54 2HD PRO 54 9.026 0.737 -9.187 389 H GLU 55 H GLU 55 10.327 3.955 -7.536 390 HA GLU 55 HA GLU 55 11.576 5.321 -5.504 391 HB2 GLU 55 1HB GLU 55 11.365 7.344 -6.939 392 HB3 GLU 55 2HB GLU 55 11.946 5.927 -7.803 393 HG2 GLU 55 1HG GLU 55 9.744 5.566 -8.747 394 HG3 GLU 55 2HG GLU 55 9.109 6.934 -7.834 395 H ARG 56 H ARG 56 8.209 5.566 -6.549 396 HA ARG 56 HA ARG 56 7.564 7.690 -4.745 397 HB2 ARG 56 1HB ARG 56 5.711 5.765 -6.158 398 HB3 ARG 56 2HB ARG 56 5.254 7.290 -5.411 399 HG2 ARG 56 1HG ARG 56 6.681 8.478 -7.034 400 HG3 ARG 56 2HG ARG 56 7.038 6.934 -7.810 401 HD2 ARG 56 1HD ARG 56 5.269 8.129 -8.993 402 HD3 ARG 56 2HD ARG 56 4.667 6.625 -8.299 403 HE ARG 56 HE ARG 56 4.065 8.428 -6.395 404 HH11 ARG 56 1HH1 ARG 56 3.519 8.361 -9.831 405 HH12 ARG 56 2HH1 ARG 56 2.061 9.293 -9.750 406 HH21 ARG 56 1HH2 ARG 56 2.146 9.656 -6.273 407 HH22 ARG 56 2HH2 ARG 56 1.282 10.029 -7.725 408 H LYS 57 H LYS 57 7.768 7.325 -2.622 409 HA LYS 57 HA LYS 57 6.248 5.095 -1.475 410 HB2 LYS 57 1HB LYS 57 8.026 4.514 0.047 411 HB3 LYS 57 2HB LYS 57 8.644 4.438 -1.597 412 HG2 LYS 57 1HG LYS 57 9.423 6.877 -1.125 413 HG3 LYS 57 2HG LYS 57 9.251 6.399 0.566 414 HD2 LYS 57 1HD LYS 57 11.494 5.943 0.028 415 HD3 LYS 57 2HD LYS 57 10.683 4.377 -0.030 416 HE2 LYS 57 1HE LYS 57 10.369 5.022 -2.567 417 HE3 LYS 57 2HE LYS 57 11.767 6.047 -2.245 418 HZ1 LYS 57 3HZ LYS 57 11.677 3.254 -2.667 419 HZ2 LYS 57 1HZ LYS 57 12.339 3.575 -1.144 420 HZ3 LYS 57 2HZ LYS 57 13.026 4.264 -2.527 421 H GLY 58 H GLY 58 4.771 5.969 -0.187 422 HA2 GLY 58 1HA GLY 58 5.572 7.903 1.823 423 HA3 GLY 58 2HA GLY 58 4.421 8.499 0.636 424 H VAL 59 H VAL 59 3.857 8.389 3.367 425 HA VAL 59 HA VAL 59 2.415 6.048 4.082 426 HB VAL 59 HB VAL 59 3.293 7.663 5.744 427 HG11 VAL 59 1HG1 VAL 59 1.291 9.439 4.424 428 HG12 VAL 59 2HG1 VAL 59 1.648 9.654 6.139 429 HG13 VAL 59 3HG1 VAL 59 2.938 9.793 4.945 430 HG21 VAL 59 3HG2 VAL 59 1.742 7.032 7.249 431 HG22 VAL 59 1HG2 VAL 59 0.413 7.732 6.324 432 HG23 VAL 59 2HG2 VAL 59 1.051 6.146 5.889 433 H PHE 60 H PHE 60 0.153 5.761 4.261 434 HA PHE 60 HA PHE 60 -1.622 7.655 2.981 435 HB2 PHE 60 1HB PHE 60 -2.502 5.970 1.373 436 HB3 PHE 60 2HB PHE 60 -0.842 6.447 1.035 437 HD1 PHE 60 2HD PHE 60 1.018 4.913 1.905 438 HD2 PHE 60 1HD PHE 60 -3.060 3.732 1.601 439 HE1 PHE 60 2HE PHE 60 1.703 2.550 1.939 440 HE2 PHE 60 1HE PHE 60 -2.382 1.368 1.636 441 HZ PHE 60 HZ PHE 60 0.002 0.774 1.804 442 HA PRO 61 HA PRO 61 -4.451 6.027 5.920 443 HB2 PRO 61 1HB PRO 61 -6.807 6.610 4.705 444 HB3 PRO 61 2HB PRO 61 -5.778 7.841 5.448 445 HG2 PRO 61 1HG PRO 61 -6.032 7.070 2.566 446 HG3 PRO 61 2HG PRO 61 -5.929 8.686 3.286 447 HD2 PRO 61 1HD PRO 61 -3.802 7.465 2.138 448 HD3 PRO 61 2HD PRO 61 -3.637 8.577 3.512 449 H VAL 62 H VAL 62 -4.942 3.970 6.318 450 HA VAL 62 HA VAL 62 -5.122 1.989 4.318 451 HB VAL 62 HB VAL 62 -6.033 1.839 7.196 452 HG11 VAL 62 1HG1 VAL 62 -5.355 -0.661 6.643 453 HG12 VAL 62 2HG1 VAL 62 -6.980 -0.047 6.332 454 HG13 VAL 62 3HG1 VAL 62 -5.812 -0.164 5.015 455 HG21 VAL 62 3HG2 VAL 62 -3.643 0.444 6.867 456 HG22 VAL 62 1HG2 VAL 62 -3.414 1.957 5.990 457 HG23 VAL 62 2HG2 VAL 62 -3.867 1.985 7.694 458 H SER 63 H SER 63 -7.540 3.863 6.036 459 HA SER 63 HA SER 63 -9.812 2.362 5.390 460 HB2 SER 63 1HB SER 63 -9.635 4.320 7.017 461 HB3 SER 63 2HB SER 63 -9.775 5.373 5.610 462 HG SER 63 HG SER 63 -11.784 4.392 5.166 463 H PHE 64 H PHE 64 -7.717 4.016 3.360 464 HA PHE 64 HA PHE 64 -9.766 4.449 1.305 465 HB2 PHE 64 1HB PHE 64 -7.010 5.530 1.748 466 HB3 PHE 64 2HB PHE 64 -7.674 5.508 0.118 467 HD1 PHE 64 2HD PHE 64 -9.152 6.267 3.459 468 HD2 PHE 64 1HD PHE 64 -8.324 7.620 -0.491 469 HE1 PHE 64 2HE PHE 64 -10.357 8.360 3.927 470 HE2 PHE 64 1HE PHE 64 -9.527 9.716 -0.029 471 HZ PHE 64 HZ PHE 64 -10.547 10.088 2.181 472 H VAL 65 H VAL 65 -7.375 2.256 2.251 473 HA VAL 65 HA VAL 65 -7.379 1.031 -0.431 474 HB VAL 65 HB VAL 65 -5.169 0.225 -0.130 475 HG11 VAL 65 1HG1 VAL 65 -5.318 2.560 -0.832 476 HG12 VAL 65 2HG1 VAL 65 -5.263 3.075 0.855 477 HG13 VAL 65 3HG1 VAL 65 -3.867 2.276 0.131 478 HG21 VAL 65 3HG2 VAL 65 -4.265 1.328 2.297 479 HG22 VAL 65 1HG2 VAL 65 -5.782 0.501 2.652 480 HG23 VAL 65 2HG2 VAL 65 -4.457 -0.377 1.886 481 H HIS 66 H HIS 66 -6.848 -1.374 -0.307 482 HA HIS 66 HA HIS 66 -7.830 -2.654 2.125 483 HB2 HIS 66 1HB HIS 66 -9.641 -3.728 1.170 484 HB3 HIS 66 2HB HIS 66 -9.705 -2.171 0.352 485 HD1 HIS 66 1HD HIS 66 -10.277 -5.453 -0.475 486 HD2 HIS 66 2HD HIS 66 -7.800 -2.567 -2.147 487 HE1 HIS 66 1HE HIS 66 -9.858 -6.213 -2.835 488 HE2 HIS 66 2HE HIS 66 -8.289 -4.496 -3.800 489 H ILE 67 H ILE 67 -6.853 -4.556 2.544 490 HA ILE 67 HA ILE 67 -4.574 -5.315 1.049 491 HB ILE 67 HB ILE 67 -6.002 -7.016 3.090 492 HG12 ILE 67 1HG1 ILE 67 -4.076 -5.874 4.541 493 HG13 ILE 67 2HG1 ILE 67 -4.326 -4.570 3.385 494 HG21 ILE 67 1HG2 ILE 67 -4.241 -8.384 3.010 495 HG22 ILE 67 2HG2 ILE 67 -3.821 -7.568 1.505 496 HG23 ILE 67 3HG2 ILE 67 -3.095 -7.044 3.025 497 HD11 ILE 67 3HD1 ILE 67 -6.781 -5.665 4.549 498 HD12 ILE 67 1HD1 ILE 67 -5.699 -4.869 5.693 499 HD13 ILE 67 2HD1 ILE 67 -6.292 -3.992 4.282 500 H LEU 68 H LEU 68 -4.636 -6.253 -0.879 501 HA LEU 68 HA LEU 68 -6.824 -7.520 -2.037 502 HB2 LEU 68 1HB LEU 68 -3.900 -7.935 -2.640 503 HB3 LEU 68 2HB LEU 68 -5.238 -8.392 -3.692 504 HG LEU 68 HG LEU 68 -4.936 -5.535 -2.882 505 HD11 LEU 68 1HD1 LEU 68 -2.835 -5.544 -3.680 506 HD12 LEU 68 2HD1 LEU 68 -3.636 -5.582 -5.251 507 HD13 LEU 68 3HD1 LEU 68 -3.048 -7.077 -4.525 508 HD21 LEU 68 3HD2 LEU 68 -5.577 -6.160 -5.635 509 HD22 LEU 68 1HD2 LEU 68 -6.478 -5.210 -4.452 510 HD23 LEU 68 2HD2 LEU 68 -6.673 -6.961 -4.508 511 H SER 69 H SER 69 -7.815 -9.274 -1.290 512 HA SER 69 HA SER 69 -6.251 -11.385 -0.004 513 HB2 SER 69 1HB SER 69 -8.253 -10.534 1.171 514 HB3 SER 69 2HB SER 69 -9.255 -11.041 -0.188 515 HG SER 69 HG SER 69 -9.183 -13.020 0.515 516 H ASP 70 H ASP 70 -6.967 -13.668 -0.473 517 HA ASP 70 HA ASP 70 -7.571 -14.004 -3.336 518 HB2 ASP 70 1HB ASP 70 -5.136 -14.404 -2.636 519 HB3 ASP 70 2HB ASP 70 -5.735 -15.834 -1.802 520 H SER 71 H SER 71 -9.561 -14.823 -3.419 521 HA SER 71 HA SER 71 -10.108 -17.389 -2.280 522 HB2 SER 71 1HB SER 71 -11.893 -16.809 -0.797 523 HB3 SER 71 2HB SER 71 -10.518 -15.799 -0.352 524 HG SER 71 HG SER 71 -11.734 -14.373 -2.094 525 H GLY 72 H GLY 72 -11.356 -18.445 -3.677 526 HA2 GLY 72 1HA GLY 72 -13.737 -17.843 -4.764 527 HA3 GLY 72 2HA GLY 72 -12.638 -16.972 -5.823 528 HA PRO 73 HA PRO 73 -13.205 -21.397 -7.285 529 HB2 PRO 73 1HB PRO 73 -14.175 -20.767 -9.741 530 HB3 PRO 73 2HB PRO 73 -15.211 -20.983 -8.325 531 HG2 PRO 73 1HG PRO 73 -14.197 -18.453 -9.564 532 HG3 PRO 73 2HG PRO 73 -15.817 -18.826 -8.947 533 HD2 PRO 73 1HD PRO 73 -14.015 -17.386 -7.530 534 HD3 PRO 73 2HD PRO 73 -15.207 -18.450 -6.756 535 H SER 74 H SER 74 -12.014 -22.442 -8.973 536 HA SER 74 HA SER 74 -10.261 -20.900 -10.664 537 HB2 SER 74 1HB SER 74 -8.177 -21.938 -9.729 538 HB3 SER 74 2HB SER 74 -8.950 -20.784 -8.643 539 HG SER 74 HG SER 74 -8.701 -23.549 -8.428 540 H SER 75 H SER 75 -9.857 -21.989 -12.484 541 HA SER 75 HA SER 75 -11.061 -24.450 -13.033 542 HB2 SER 75 1HB SER 75 -10.049 -24.324 -15.172 543 HB3 SER 75 2HB SER 75 -10.296 -22.648 -14.685 544 HG SER 75 HG SER 75 -8.103 -22.585 -14.055 545 H GLY 76 H GLY 76 -10.517 -26.448 -12.477 546 HA2 GLY 76 1HA GLY 76 -7.661 -27.044 -12.017 547 HA3 GLY 76 2HA GLY 76 -8.903 -27.604 -10.908 Start of MODEL 12 1 H1 GLY 1 H GLY 1 21.057 -18.225 -3.492 2 HA2 GLY 1 1HA GLY 1 19.598 -17.561 -5.966 3 HA3 GLY 1 2HA GLY 1 20.800 -18.843 -5.963 4 H SER 2 H SER 2 18.138 -17.916 -3.778 5 HA SER 2 HA SER 2 16.848 -20.481 -4.283 6 HB2 SER 2 1HB SER 2 18.501 -20.646 -2.302 7 HB3 SER 2 2HB SER 2 17.335 -19.653 -1.429 8 HG SER 2 HG SER 2 15.813 -21.249 -1.665 9 H SER 3 H SER 3 14.648 -20.552 -3.644 10 HA SER 3 HA SER 3 13.490 -17.901 -3.078 11 HB2 SER 3 1HB SER 3 12.358 -20.138 -4.775 12 HB3 SER 3 2HB SER 3 11.506 -18.647 -4.379 13 HG SER 3 HG SER 3 12.439 -17.960 -6.139 14 H GLY 4 H GLY 4 11.333 -17.974 -2.026 15 HA2 GLY 4 1HA GLY 4 9.747 -18.995 -0.609 16 HA3 GLY 4 2HA GLY 4 10.809 -20.387 -0.462 17 H SER 5 H SER 5 10.365 -17.029 0.542 18 HA SER 5 HA SER 5 12.099 -17.559 2.863 19 HB2 SER 5 1HB SER 5 11.363 -14.986 1.465 20 HB3 SER 5 2HB SER 5 12.133 -15.018 3.051 21 HG SER 5 HG SER 5 13.922 -15.953 2.163 22 H SER 6 H SER 6 11.006 -18.056 4.636 23 HA SER 6 HA SER 6 8.346 -16.871 5.045 24 HB2 SER 6 1HB SER 6 9.599 -19.427 6.037 25 HB3 SER 6 2HB SER 6 8.148 -18.757 6.782 26 HG SER 6 HG SER 6 7.071 -18.982 4.847 27 H GLY 7 H GLY 7 10.633 -15.322 5.579 28 HA2 GLY 7 1HA GLY 7 10.756 -15.321 8.526 29 HA3 GLY 7 2HA GLY 7 11.969 -14.614 7.468 30 H ASN 8 H ASN 8 10.736 -12.977 5.834 31 HA ASN 8 HA ASN 8 9.668 -10.943 7.615 32 HB2 ASN 8 1HB ASN 8 10.153 -10.605 4.662 33 HB3 ASN 8 2HB ASN 8 10.167 -9.377 5.923 34 HD21 ASN 8 1HD2 ASN 8 12.050 -8.822 6.782 35 HD22 ASN 8 2HD2 ASN 8 13.541 -9.665 6.557 36 H LYS 9 H LYS 9 7.658 -10.019 7.461 37 HA LYS 9 HA LYS 9 5.697 -11.524 5.882 38 HB2 LYS 9 1HB LYS 9 5.502 -9.854 8.371 39 HB3 LYS 9 2HB LYS 9 4.069 -10.219 7.421 40 HG2 LYS 9 1HG LYS 9 5.875 -12.424 8.315 41 HG3 LYS 9 2HG LYS 9 4.694 -11.727 9.427 42 HD2 LYS 9 1HD LYS 9 3.877 -12.641 6.692 43 HD3 LYS 9 2HD LYS 9 4.018 -13.789 8.025 44 HE2 LYS 9 1HE LYS 9 2.461 -11.282 8.437 45 HE3 LYS 9 2HE LYS 9 1.738 -12.586 7.496 46 HZ1 LYS 9 3HZ LYS 9 2.234 -12.419 10.334 47 HZ2 LYS 9 1HZ LYS 9 2.688 -13.895 9.642 48 HZ3 LYS 9 2HZ LYS 9 1.098 -13.341 9.486 49 H VAL 10 H VAL 10 4.901 -10.652 4.094 50 HA VAL 10 HA VAL 10 5.283 -7.796 3.603 51 HB VAL 10 HB VAL 10 4.787 -8.264 1.282 52 HG11 VAL 10 1HG1 VAL 10 6.672 -9.638 0.733 53 HG12 VAL 10 2HG1 VAL 10 7.072 -8.709 2.179 54 HG13 VAL 10 3HG1 VAL 10 6.632 -10.411 2.317 55 HG21 VAL 10 3HG2 VAL 10 4.115 -11.028 2.271 56 HG22 VAL 10 1HG2 VAL 10 3.058 -9.889 1.438 57 HG23 VAL 10 2HG2 VAL 10 4.396 -10.646 0.573 58 H ARG 11 H ARG 11 3.535 -6.564 2.578 59 HA ARG 11 HA ARG 11 0.834 -7.535 3.116 60 HB2 ARG 11 1HB ARG 11 2.191 -5.320 4.545 61 HB3 ARG 11 2HB ARG 11 0.535 -5.022 4.037 62 HG2 ARG 11 1HG ARG 11 1.117 -7.568 5.446 63 HG3 ARG 11 2HG ARG 11 1.111 -6.074 6.386 64 HD2 ARG 11 1HD ARG 11 -1.148 -5.598 5.312 65 HD3 ARG 11 2HD ARG 11 -1.125 -7.278 4.778 66 HE ARG 11 HE ARG 11 -0.688 -6.891 7.609 67 HH11 ARG 11 1HH1 ARG 11 -3.012 -7.439 5.075 68 HH12 ARG 11 2HH1 ARG 11 -4.208 -8.105 6.137 69 HH21 ARG 11 1HH2 ARG 11 -2.254 -7.767 9.017 70 HH22 ARG 11 2HH2 ARG 11 -3.775 -8.291 8.379 71 H ARG 12 H ARG 12 -0.175 -7.316 1.236 72 HA ARG 12 HA ARG 12 0.474 -5.010 -0.467 73 HB2 ARG 12 1HB ARG 12 -0.448 -7.791 -1.023 74 HB3 ARG 12 2HB ARG 12 -0.922 -6.520 -2.140 75 HG2 ARG 12 1HG ARG 12 1.526 -5.921 -2.299 76 HG3 ARG 12 2HG ARG 12 1.852 -7.426 -1.436 77 HD2 ARG 12 1HD ARG 12 0.454 -8.561 -3.244 78 HD3 ARG 12 2HD ARG 12 0.600 -7.051 -4.142 79 HE ARG 12 HE ARG 12 3.164 -7.672 -3.499 80 HH11 ARG 12 1HH1 ARG 12 0.579 -9.383 -5.083 81 HH12 ARG 12 2HH1 ARG 12 1.638 -10.322 -6.081 82 HH21 ARG 12 1HH2 ARG 12 4.568 -8.902 -4.810 83 HH22 ARG 12 2HH2 ARG 12 3.907 -10.048 -5.925 84 H VAL 13 H VAL 13 -1.144 -3.708 -1.315 85 HA VAL 13 HA VAL 13 -3.912 -4.202 -0.589 86 HB VAL 13 HB VAL 13 -4.234 -2.044 0.497 87 HG11 VAL 13 1HG1 VAL 13 -3.483 -4.183 1.736 88 HG12 VAL 13 2HG1 VAL 13 -1.953 -3.330 1.953 89 HG13 VAL 13 3HG1 VAL 13 -3.445 -2.644 2.598 90 HG21 VAL 13 3HG2 VAL 13 -2.748 -0.390 0.407 91 HG22 VAL 13 1HG2 VAL 13 -1.480 -1.417 1.077 92 HG23 VAL 13 2HG2 VAL 13 -1.777 -1.403 -0.661 93 H LYS 14 H LYS 14 -5.379 -2.555 -1.541 94 HA LYS 14 HA LYS 14 -4.210 -1.222 -3.887 95 HB2 LYS 14 1HB LYS 14 -5.196 -3.263 -4.711 96 HB3 LYS 14 2HB LYS 14 -6.683 -2.957 -3.823 97 HG2 LYS 14 1HG LYS 14 -6.666 -0.751 -5.288 98 HG3 LYS 14 2HG LYS 14 -5.704 -1.773 -6.357 99 HD2 LYS 14 1HD LYS 14 -8.215 -2.899 -5.232 100 HD3 LYS 14 2HD LYS 14 -8.349 -1.687 -6.509 101 HE2 LYS 14 1HE LYS 14 -6.940 -3.034 -7.961 102 HE3 LYS 14 2HE LYS 14 -6.722 -4.223 -6.676 103 HZ1 LYS 14 3HZ LYS 14 -8.623 -5.197 -7.221 104 HZ2 LYS 14 1HZ LYS 14 -8.694 -4.206 -8.591 105 HZ3 LYS 14 2HZ LYS 14 -9.479 -3.739 -7.168 106 H THR 15 H THR 15 -4.956 0.787 -4.292 107 HA THR 15 HA THR 15 -6.505 2.110 -2.306 108 HB THR 15 HB THR 15 -6.360 4.086 -3.788 109 HG1 THR 15 1HG THR 15 -6.386 3.320 -5.836 110 HG21 THR 15 3HG2 THR 15 -4.507 4.046 -2.439 111 HG22 THR 15 1HG2 THR 15 -3.730 3.939 -4.018 112 HG23 THR 15 2HG2 THR 15 -3.960 2.484 -3.049 113 H ILE 16 H ILE 16 -8.587 1.449 -2.137 114 HA ILE 16 HA ILE 16 -10.239 0.895 -4.405 115 HB ILE 16 HB ILE 16 -12.085 0.751 -2.759 116 HG12 ILE 16 1HG1 ILE 16 -10.007 1.261 -0.635 117 HG13 ILE 16 2HG1 ILE 16 -11.041 2.543 -1.258 118 HG21 ILE 16 1HG2 ILE 16 -11.354 -1.255 -1.748 119 HG22 ILE 16 2HG2 ILE 16 -10.471 -1.127 -3.269 120 HG23 ILE 16 3HG2 ILE 16 -9.671 -0.729 -1.749 121 HD11 ILE 16 3HD1 ILE 16 -12.157 1.859 0.636 122 HD12 ILE 16 1HD1 ILE 16 -12.976 0.951 -0.634 123 HD13 ILE 16 2HD1 ILE 16 -11.768 0.158 0.378 124 H TYR 17 H TYR 17 -9.187 3.748 -3.046 125 HA TYR 17 HA TYR 17 -11.330 5.233 -4.380 126 HB2 TYR 17 1HB TYR 17 -10.341 5.761 -1.572 127 HB3 TYR 17 2HB TYR 17 -11.345 6.876 -2.491 128 HD1 TYR 17 1HD TYR 17 -13.460 5.481 -3.625 129 HD2 TYR 17 2HD TYR 17 -11.495 4.611 0.048 130 HE1 TYR 17 1HE TYR 17 -15.480 4.328 -2.824 131 HE2 TYR 17 2HE TYR 17 -13.509 3.454 0.858 132 HH TYR 17 HH TYR 17 -16.429 3.221 -1.156 133 H ASP 18 H ASP 18 -10.739 7.490 -4.826 134 HA ASP 18 HA ASP 18 -7.954 7.650 -5.633 135 HB2 ASP 18 1HB ASP 18 -8.837 9.889 -6.633 136 HB3 ASP 18 2HB ASP 18 -9.330 8.365 -7.365 137 H CYS 19 H CYS 19 -6.489 8.467 -4.303 138 HA CYS 19 HA CYS 19 -7.287 10.671 -2.518 139 HB2 CYS 19 1HB CYS 19 -6.591 8.299 -1.572 140 HB3 CYS 19 2HB CYS 19 -4.965 8.915 -1.845 141 HG CYS 19 HG CYS 19 -7.039 9.539 0.633 142 H GLN 20 H GLN 20 -6.425 12.525 -3.158 143 HA GLN 20 HA GLN 20 -3.905 12.501 -4.647 144 HB2 GLN 20 1HB GLN 20 -6.022 14.623 -4.284 145 HB3 GLN 20 2HB GLN 20 -4.499 14.907 -5.117 146 HG2 GLN 20 1HG GLN 20 -5.214 12.856 -6.548 147 HG3 GLN 20 2HG GLN 20 -6.824 13.236 -5.942 148 HE21 GLN 20 1HE2 GLN 20 -4.439 13.977 -8.215 149 HE22 GLN 20 2HE2 GLN 20 -5.183 15.371 -8.910 150 H ALA 21 H ALA 21 -2.579 12.104 -2.793 151 HA ALA 21 HA ALA 21 -2.509 13.569 -0.448 152 HB1 ALA 21 3HB ALA 21 0.010 13.002 -0.520 153 HB2 ALA 21 1HB ALA 21 -1.159 11.682 -0.469 154 HB3 ALA 21 2HB ALA 21 -0.391 12.124 -1.995 155 H ASP 22 H ASP 22 -1.909 15.571 0.098 156 HA ASP 22 HA ASP 22 -0.894 17.325 -2.011 157 HB2 ASP 22 1HB ASP 22 -2.945 17.848 -0.524 158 HB3 ASP 22 2HB ASP 22 -1.761 18.228 0.724 159 H ASN 23 H ASN 23 -0.022 15.981 1.092 160 HA ASN 23 HA ASN 23 2.338 17.652 1.331 161 HB2 ASN 23 1HB ASN 23 1.606 15.271 3.039 162 HB3 ASN 23 2HB ASN 23 2.686 16.600 3.449 163 HD21 ASN 23 1HD2 ASN 23 1.268 18.785 2.743 164 HD22 ASN 23 2HD2 ASN 23 -0.175 18.898 3.687 165 H ASP 24 H ASP 24 4.484 16.689 1.608 166 HA ASP 24 HA ASP 24 5.135 14.969 -0.545 167 HB2 ASP 24 1HB ASP 24 6.663 16.707 0.360 168 HB3 ASP 24 2HB ASP 24 6.857 15.741 1.819 169 H ASP 25 H ASP 25 5.251 14.483 2.982 170 HA ASP 25 HA ASP 25 6.122 11.866 3.041 171 HB2 ASP 25 1HB ASP 25 5.457 11.813 5.256 172 HB3 ASP 25 2HB ASP 25 5.534 13.550 4.967 173 H GLU 26 H GLU 26 2.851 13.093 2.535 174 HA GLU 26 HA GLU 26 1.591 10.542 2.566 175 HB2 GLU 26 1HB GLU 26 0.750 13.256 1.568 176 HB3 GLU 26 2HB GLU 26 -0.273 11.839 1.365 177 HG2 GLU 26 1HG GLU 26 0.679 13.018 3.963 178 HG3 GLU 26 2HG GLU 26 -0.959 13.064 3.314 179 H LEU 27 H LEU 27 0.986 9.209 0.894 180 HA LEU 27 HA LEU 27 2.519 9.519 -1.564 181 HB2 LEU 27 1HB LEU 27 2.558 7.381 -0.349 182 HB3 LEU 27 2HB LEU 27 0.821 7.222 -0.600 183 HG LEU 27 HG LEU 27 1.265 7.162 -3.062 184 HD11 LEU 27 1HD1 LEU 27 3.330 7.272 -3.953 185 HD12 LEU 27 2HD1 LEU 27 4.080 6.432 -2.598 186 HD13 LEU 27 3HD1 LEU 27 3.699 8.150 -2.469 187 HD21 LEU 27 3HD2 LEU 27 1.327 4.925 -2.956 188 HD22 LEU 27 1HD2 LEU 27 1.334 5.163 -1.208 189 HD23 LEU 27 2HD2 LEU 27 2.853 4.911 -2.070 190 H THR 28 H THR 28 1.674 10.002 -3.498 191 HA THR 28 HA THR 28 -1.182 10.600 -3.621 192 HB THR 28 HB THR 28 0.965 11.200 -5.664 193 HG1 THR 28 1HG THR 28 -0.197 13.158 -4.019 194 HG21 THR 28 3HG2 THR 28 -0.925 13.036 -6.102 195 HG22 THR 28 1HG2 THR 28 -1.947 11.737 -5.485 196 HG23 THR 28 2HG2 THR 28 -0.930 11.464 -6.901 197 H PHE 29 H PHE 29 -2.418 8.914 -4.160 198 HA PHE 29 HA PHE 29 -1.621 7.321 -6.504 199 HB2 PHE 29 1HB PHE 29 -2.748 5.367 -5.441 200 HB3 PHE 29 2HB PHE 29 -1.326 5.917 -4.561 201 HD1 PHE 29 2HD PHE 29 -5.022 5.991 -4.593 202 HD2 PHE 29 1HD PHE 29 -1.474 6.608 -2.322 203 HE1 PHE 29 2HE PHE 29 -6.370 6.183 -2.545 204 HE2 PHE 29 1HE PHE 29 -2.818 6.801 -0.270 205 HZ PHE 29 HZ PHE 29 -5.269 6.589 -0.379 206 H ILE 30 H ILE 30 -3.786 5.880 -7.017 207 HA ILE 30 HA ILE 30 -6.154 7.571 -6.919 208 HB ILE 30 HB ILE 30 -6.518 7.427 -9.357 209 HG12 ILE 30 1HG1 ILE 30 -3.630 6.751 -9.745 210 HG13 ILE 30 2HG1 ILE 30 -4.774 5.444 -9.456 211 HG21 ILE 30 1HG2 ILE 30 -3.972 8.801 -8.508 212 HG22 ILE 30 2HG2 ILE 30 -4.859 9.141 -9.994 213 HG23 ILE 30 3HG2 ILE 30 -5.606 9.462 -8.428 214 HD11 ILE 30 3HD1 ILE 30 -6.077 6.157 -11.388 215 HD12 ILE 30 1HD1 ILE 30 -4.936 7.470 -11.675 216 HD13 ILE 30 2HD1 ILE 30 -4.410 5.793 -11.829 217 H GLU 31 H GLU 31 -8.097 6.470 -7.427 218 HA GLU 31 HA GLU 31 -8.394 3.929 -6.483 219 HB2 GLU 31 1HB GLU 31 -10.257 5.484 -6.971 220 HB3 GLU 31 2HB GLU 31 -10.046 5.174 -8.688 221 HG2 GLU 31 1HG GLU 31 -10.378 2.678 -7.952 222 HG3 GLU 31 2HG GLU 31 -11.175 3.423 -6.567 223 H GLY 32 H GLY 32 -7.804 1.968 -7.129 224 HA2 GLY 32 1HA GLY 32 -7.670 0.207 -8.716 225 HA3 GLY 32 2HA GLY 32 -7.588 1.406 -9.998 226 H GLU 33 H GLU 33 -5.638 1.504 -7.081 227 HA GLU 33 HA GLU 33 -3.275 0.817 -8.701 228 HB2 GLU 33 1HB GLU 33 -3.576 3.010 -6.649 229 HB3 GLU 33 2HB GLU 33 -2.019 2.459 -7.252 230 HG2 GLU 33 1HG GLU 33 -4.091 3.299 -9.210 231 HG3 GLU 33 2HG GLU 33 -3.229 4.535 -8.298 232 H VAL 34 H VAL 34 -1.507 -0.136 -7.562 233 HA VAL 34 HA VAL 34 -2.350 -1.508 -5.095 234 HB VAL 34 HB VAL 34 -0.328 -2.396 -7.158 235 HG11 VAL 34 1HG1 VAL 34 0.531 -3.568 -5.459 236 HG12 VAL 34 2HG1 VAL 34 -0.855 -3.243 -4.416 237 HG13 VAL 34 3HG1 VAL 34 -0.919 -4.563 -5.585 238 HG21 VAL 34 3HG2 VAL 34 -1.895 -3.991 -7.882 239 HG22 VAL 34 1HG2 VAL 34 -2.935 -3.727 -6.482 240 HG23 VAL 34 2HG2 VAL 34 -2.813 -2.493 -7.735 241 H ILE 35 H ILE 35 -1.057 -1.481 -3.314 242 HA ILE 35 HA ILE 35 1.481 0.003 -3.512 243 HB ILE 35 HB ILE 35 -0.510 0.203 -1.250 244 HG12 ILE 35 1HG1 ILE 35 0.322 2.359 -3.195 245 HG13 ILE 35 2HG1 ILE 35 -1.115 1.367 -3.422 246 HG21 ILE 35 1HG2 ILE 35 1.244 0.834 -0.038 247 HG22 ILE 35 2HG2 ILE 35 2.302 0.824 -1.449 248 HG23 ILE 35 3HG2 ILE 35 1.353 2.261 -1.070 249 HD11 ILE 35 3HD1 ILE 35 -2.172 2.970 -2.303 250 HD12 ILE 35 1HD1 ILE 35 -1.427 2.275 -0.864 251 HD13 ILE 35 2HD1 ILE 35 -0.670 3.647 -1.674 252 H ILE 36 H ILE 36 3.191 -0.810 -2.405 253 HA ILE 36 HA ILE 36 2.797 -3.419 -1.134 254 HB ILE 36 HB ILE 36 5.338 -2.065 -2.048 255 HG12 ILE 36 1HG1 ILE 36 3.787 -2.818 -3.857 256 HG13 ILE 36 2HG1 ILE 36 5.336 -3.655 -3.864 257 HG21 ILE 36 1HG2 ILE 36 5.642 -3.573 -0.107 258 HG22 ILE 36 2HG2 ILE 36 4.947 -4.884 -1.058 259 HG23 ILE 36 3HG2 ILE 36 6.464 -4.139 -1.562 260 HD11 ILE 36 3HD1 ILE 36 4.381 -5.637 -3.537 261 HD12 ILE 36 1HD1 ILE 36 3.308 -5.016 -2.284 262 HD13 ILE 36 2HD1 ILE 36 2.876 -4.836 -3.985 263 H VAL 37 H VAL 37 2.289 -3.149 0.965 264 HA VAL 37 HA VAL 37 3.263 -1.054 2.605 265 HB VAL 37 HB VAL 37 2.043 -3.704 3.392 266 HG11 VAL 37 1HG1 VAL 37 3.199 -1.563 4.969 267 HG12 VAL 37 2HG1 VAL 37 1.506 -1.851 5.376 268 HG13 VAL 37 3HG1 VAL 37 2.672 -3.172 5.463 269 HG21 VAL 37 3HG2 VAL 37 -0.007 -2.783 3.150 270 HG22 VAL 37 1HG2 VAL 37 0.539 -1.178 3.635 271 HG23 VAL 37 2HG2 VAL 37 0.832 -1.750 1.993 272 H THR 38 H THR 38 5.326 -0.834 3.162 273 HA THR 38 HA THR 38 6.842 -3.251 3.908 274 HB THR 38 HB THR 38 8.893 -2.079 3.247 275 HG1 THR 38 1HG THR 38 8.867 -0.025 2.627 276 HG21 THR 38 3HG2 THR 38 6.758 -2.835 1.429 277 HG22 THR 38 1HG2 THR 38 8.484 -3.185 1.346 278 HG23 THR 38 2HG2 THR 38 7.861 -1.664 0.708 279 H GLY 39 H GLY 39 6.161 0.126 4.656 280 HA2 GLY 39 1HA GLY 39 7.363 -0.317 7.320 281 HA3 GLY 39 2HA GLY 39 7.475 1.220 6.476 282 H GLU 40 H GLU 40 4.834 -1.065 7.210 283 HA GLU 40 HA GLU 40 2.754 0.693 7.350 284 HB2 GLU 40 1HB GLU 40 1.610 -0.885 8.764 285 HB3 GLU 40 2HB GLU 40 2.580 -1.776 7.600 286 HG2 GLU 40 1HG GLU 40 3.144 -1.337 10.516 287 HG3 GLU 40 2HG GLU 40 2.816 -2.859 9.689 288 H GLU 41 H GLU 41 2.538 2.541 8.411 289 HA GLU 41 HA GLU 41 4.124 3.253 10.654 290 HB2 GLU 41 1HB GLU 41 1.891 4.504 9.133 291 HB3 GLU 41 2HB GLU 41 2.236 5.131 10.738 292 HG2 GLU 41 1HG GLU 41 4.709 5.146 9.790 293 HG3 GLU 41 2HG GLU 41 3.847 5.268 8.257 294 H ASP 42 H ASP 42 0.566 3.207 10.523 295 HA ASP 42 HA ASP 42 0.564 1.946 13.183 296 HB2 ASP 42 1HB ASP 42 -1.619 3.381 13.474 297 HB3 ASP 42 2HB ASP 42 -0.039 4.093 13.791 298 H GLN 43 H GLN 43 -2.006 1.487 13.634 299 HA GLN 43 HA GLN 43 -2.630 -0.609 11.799 300 HB2 GLN 43 1HB GLN 43 -3.942 0.492 14.263 301 HB3 GLN 43 2HB GLN 43 -4.777 -0.689 13.262 302 HG2 GLN 43 1HG GLN 43 -2.561 -2.043 13.522 303 HG3 GLN 43 2HG GLN 43 -2.334 -1.010 14.932 304 HE21 GLN 43 1HE2 GLN 43 -2.603 -2.536 16.482 305 HE22 GLN 43 2HE2 GLN 43 -4.086 -3.378 16.759 306 H GLU 44 H GLU 44 -3.201 2.676 11.728 307 HA GLU 44 HA GLU 44 -5.618 2.354 10.077 308 HB2 GLU 44 1HB GLU 44 -4.621 4.944 11.254 309 HB3 GLU 44 2HB GLU 44 -6.214 4.595 10.595 310 HG2 GLU 44 1HG GLU 44 -6.706 4.484 12.800 311 HG3 GLU 44 2HG GLU 44 -6.231 2.807 12.540 312 H TRP 45 H TRP 45 -2.390 3.724 10.209 313 HA TRP 45 HA TRP 45 -2.594 4.338 7.333 314 HB2 TRP 45 1HB TRP 45 -0.940 5.694 9.470 315 HB3 TRP 45 2HB TRP 45 -0.753 5.996 7.745 316 HD1 TRP 45 HD TRP 45 -3.426 6.365 10.520 317 HE1 TRP 45 1HE TRP 45 -4.974 8.318 9.880 318 HE3 TRP 45 3HE TRP 45 -1.501 7.449 5.909 319 HZ2 TRP 45 2HZ TRP 45 -5.332 10.085 7.708 320 HZ3 TRP 45 3HZ TRP 45 -2.503 9.285 4.615 321 HH2 TRP 45 HH TRP 45 -4.380 10.575 5.497 322 H TRP 46 H TRP 46 -1.133 3.450 5.979 323 HA TRP 46 HA TRP 46 1.069 1.906 7.184 324 HB2 TRP 46 1HB TRP 46 -0.827 1.161 4.970 325 HB3 TRP 46 2HB TRP 46 0.757 0.403 5.103 326 HD1 TRP 46 HD TRP 46 0.098 0.747 8.533 327 HE1 TRP 46 1HE TRP 46 -1.128 -1.276 9.549 328 HE3 TRP 46 3HE TRP 46 -1.627 -1.402 4.228 329 HZ2 TRP 46 2HZ TRP 46 -2.628 -3.489 8.644 330 HZ3 TRP 46 3HZ TRP 46 -2.949 -3.471 4.389 331 HH2 TRP 46 HH TRP 46 -3.437 -4.492 6.553 332 H ILE 47 H ILE 47 2.854 1.445 5.609 333 HA ILE 47 HA ILE 47 3.227 3.721 3.773 334 HB ILE 47 HB ILE 47 5.362 2.364 5.425 335 HG12 ILE 47 1HG1 ILE 47 4.213 5.153 5.666 336 HG13 ILE 47 2HG1 ILE 47 3.821 3.811 6.735 337 HG21 ILE 47 1HG2 ILE 47 5.444 4.155 3.121 338 HG22 ILE 47 2HG2 ILE 47 6.403 4.715 4.490 339 HG23 ILE 47 3HG2 ILE 47 6.700 3.120 3.799 340 HD11 ILE 47 3HD1 ILE 47 5.860 5.671 7.041 341 HD12 ILE 47 1HD1 ILE 47 5.615 4.193 7.970 342 HD13 ILE 47 2HD1 ILE 47 6.668 4.181 6.555 343 H GLY 48 H GLY 48 3.742 3.242 1.728 344 HA2 GLY 48 1HA GLY 48 5.245 0.918 1.000 345 HA3 GLY 48 2HA GLY 48 3.538 0.732 0.628 346 H HIS 49 H HIS 49 5.740 0.803 -1.232 347 HA HIS 49 HA HIS 49 5.296 3.350 -2.623 348 HB2 HIS 49 1HB HIS 49 7.244 2.616 -4.036 349 HB3 HIS 49 2HB HIS 49 7.626 2.874 -2.336 350 HD1 HIS 49 1HD HIS 49 6.603 -0.088 -4.509 351 HD2 HIS 49 2HD HIS 49 9.110 0.859 -1.334 352 HE1 HIS 49 1HE HIS 49 7.846 -2.209 -3.977 353 HE2 HIS 49 2HE HIS 49 9.294 -1.634 -1.998 354 H ILE 50 H ILE 50 4.676 3.402 -4.804 355 HA ILE 50 HA ILE 50 2.725 1.542 -5.570 356 HB ILE 50 HB ILE 50 4.215 3.557 -7.255 357 HG12 ILE 50 1HG1 ILE 50 2.971 4.642 -5.509 358 HG13 ILE 50 2HG1 ILE 50 2.068 4.836 -7.007 359 HG21 ILE 50 1HG2 ILE 50 2.555 1.439 -8.091 360 HG22 ILE 50 2HG2 ILE 50 1.619 2.924 -8.259 361 HG23 ILE 50 3HG2 ILE 50 3.185 2.774 -9.056 362 HD11 ILE 50 3HD1 ILE 50 0.480 4.321 -5.365 363 HD12 ILE 50 1HD1 ILE 50 0.711 2.827 -6.275 364 HD13 ILE 50 2HD1 ILE 50 1.471 3.025 -4.695 365 H GLU 51 H GLU 51 3.041 -0.496 -6.154 366 HA GLU 51 HA GLU 51 5.251 -1.894 -6.659 367 HB2 GLU 51 1HB GLU 51 2.864 -2.732 -6.736 368 HB3 GLU 51 2HB GLU 51 2.824 -2.231 -8.420 369 HG2 GLU 51 1HG GLU 51 4.890 -4.132 -7.364 370 HG3 GLU 51 2HG GLU 51 3.317 -4.671 -7.950 371 H GLY 52 H GLY 52 6.696 -2.312 -8.292 372 HA2 GLY 52 1HA GLY 52 7.768 -2.083 -10.330 373 HA3 GLY 52 2HA GLY 52 6.364 -1.211 -10.929 374 H GLN 53 H GLN 53 6.211 0.904 -9.190 375 HA GLN 53 HA GLN 53 8.666 2.368 -9.867 376 HB2 GLN 53 1HB GLN 53 5.799 3.127 -9.630 377 HB3 GLN 53 2HB GLN 53 6.999 4.344 -9.212 378 HG2 GLN 53 1HG GLN 53 8.022 4.071 -11.425 379 HG3 GLN 53 2HG GLN 53 6.782 2.890 -11.839 380 HE21 GLN 53 1HE2 GLN 53 4.489 3.749 -11.431 381 HE22 GLN 53 2HE2 GLN 53 4.175 5.344 -12.018 382 HA PRO 54 HA PRO 54 9.204 1.962 -5.363 383 HB2 PRO 54 1HB PRO 54 11.899 2.278 -5.452 384 HB3 PRO 54 2HB PRO 54 11.102 0.730 -5.757 385 HG2 PRO 54 1HG PRO 54 12.156 2.737 -7.713 386 HG3 PRO 54 2HG PRO 54 12.297 0.970 -7.738 387 HD2 PRO 54 1HD PRO 54 10.484 2.307 -9.240 388 HD3 PRO 54 2HD PRO 54 10.173 0.685 -8.588 389 H GLU 55 H GLU 55 10.746 4.331 -7.518 390 HA GLU 55 HA GLU 55 11.631 6.256 -5.865 391 HB2 GLU 55 1HB GLU 55 11.033 7.923 -7.544 392 HB3 GLU 55 2HB GLU 55 11.642 6.463 -8.310 393 HG2 GLU 55 1HG GLU 55 9.101 5.843 -8.440 394 HG3 GLU 55 2HG GLU 55 8.889 7.587 -8.288 395 H ARG 56 H ARG 56 8.240 5.592 -6.571 396 HA ARG 56 HA ARG 56 7.333 7.780 -4.904 397 HB2 ARG 56 1HB ARG 56 5.827 5.604 -6.364 398 HB3 ARG 56 2HB ARG 56 5.063 6.903 -5.457 399 HG2 ARG 56 1HG ARG 56 6.169 8.534 -6.962 400 HG3 ARG 56 2HG ARG 56 6.776 7.178 -7.915 401 HD2 ARG 56 1HD ARG 56 4.873 7.647 -9.085 402 HD3 ARG 56 2HD ARG 56 4.225 6.497 -7.916 403 HE ARG 56 HE ARG 56 3.036 8.202 -6.930 404 HH11 ARG 56 1HH1 ARG 56 5.344 9.520 -9.180 405 HH12 ARG 56 2HH1 ARG 56 4.688 11.123 -9.115 406 HH21 ARG 56 1HH2 ARG 56 2.166 10.308 -6.835 407 HH22 ARG 56 2HH2 ARG 56 2.881 11.570 -7.780 408 H LYS 57 H LYS 57 7.621 7.499 -2.778 409 HA LYS 57 HA LYS 57 6.401 5.148 -1.537 410 HB2 LYS 57 1HB LYS 57 8.300 4.813 -0.047 411 HB3 LYS 57 2HB LYS 57 8.801 4.646 -1.726 412 HG2 LYS 57 1HG LYS 57 9.557 7.062 -1.591 413 HG3 LYS 57 2HG LYS 57 9.330 6.926 0.154 414 HD2 LYS 57 1HD LYS 57 11.050 5.394 0.388 415 HD3 LYS 57 2HD LYS 57 10.968 4.890 -1.301 416 HE2 LYS 57 1HE LYS 57 11.937 6.990 -2.010 417 HE3 LYS 57 2HE LYS 57 11.918 7.591 -0.352 418 HZ1 LYS 57 3HZ LYS 57 13.304 5.087 -0.670 419 HZ2 LYS 57 1HZ LYS 57 13.782 6.493 0.141 420 HZ3 LYS 57 2HZ LYS 57 14.008 6.362 -1.530 421 H GLY 58 H GLY 58 4.917 5.902 -0.182 422 HA2 GLY 58 1HA GLY 58 5.622 7.899 1.787 423 HA3 GLY 58 2HA GLY 58 4.423 8.435 0.620 424 H VAL 59 H VAL 59 3.718 8.424 3.220 425 HA VAL 59 HA VAL 59 2.471 5.957 3.997 426 HB VAL 59 HB VAL 59 3.288 7.626 5.649 427 HG11 VAL 59 1HG1 VAL 59 2.124 9.656 6.061 428 HG12 VAL 59 2HG1 VAL 59 2.476 9.610 4.333 429 HG13 VAL 59 3HG1 VAL 59 0.852 9.237 4.914 430 HG21 VAL 59 3HG2 VAL 59 0.389 6.818 5.722 431 HG22 VAL 59 1HG2 VAL 59 1.768 5.996 6.453 432 HG23 VAL 59 2HG2 VAL 59 1.221 7.544 7.097 433 H PHE 60 H PHE 60 0.360 5.359 3.837 434 HA PHE 60 HA PHE 60 -1.522 7.232 2.588 435 HB2 PHE 60 1HB PHE 60 -2.351 5.427 1.115 436 HB3 PHE 60 2HB PHE 60 -0.672 5.836 0.782 437 HD1 PHE 60 2HD PHE 60 1.138 4.344 1.716 438 HD2 PHE 60 1HD PHE 60 -2.974 3.245 1.669 439 HE1 PHE 60 2HE PHE 60 1.770 1.982 1.995 440 HE2 PHE 60 1HE PHE 60 -2.349 0.882 1.948 441 HZ PHE 60 HZ PHE 60 0.026 0.247 2.110 442 HA PRO 61 HA PRO 61 -4.290 5.838 5.707 443 HB2 PRO 61 1HB PRO 61 -6.655 6.424 4.510 444 HB3 PRO 61 2HB PRO 61 -5.580 7.662 5.172 445 HG2 PRO 61 1HG PRO 61 -5.911 6.761 2.337 446 HG3 PRO 61 2HG PRO 61 -5.753 8.407 2.977 447 HD2 PRO 61 1HD PRO 61 -3.681 7.078 1.848 448 HD3 PRO 61 2HD PRO 61 -3.461 8.249 3.164 449 H VAL 62 H VAL 62 -4.752 3.794 6.191 450 HA VAL 62 HA VAL 62 -5.111 1.767 4.243 451 HB VAL 62 HB VAL 62 -5.704 1.688 7.205 452 HG11 VAL 62 1HG1 VAL 62 -5.078 -0.851 6.514 453 HG12 VAL 62 2HG1 VAL 62 -6.727 -0.233 6.625 454 HG13 VAL 62 3HG1 VAL 62 -5.918 -0.314 5.060 455 HG21 VAL 62 3HG2 VAL 62 -3.494 0.526 7.310 456 HG22 VAL 62 1HG2 VAL 62 -3.241 0.972 5.622 457 HG23 VAL 62 2HG2 VAL 62 -3.398 2.227 6.852 458 H SER 63 H SER 63 -7.235 4.066 5.470 459 HA SER 63 HA SER 63 -9.632 2.468 5.336 460 HB2 SER 63 1HB SER 63 -9.291 4.480 6.859 461 HB3 SER 63 2HB SER 63 -9.477 5.483 5.420 462 HG SER 63 HG SER 63 -11.421 3.545 5.890 463 H PHE 64 H PHE 64 -7.686 4.187 3.133 464 HA PHE 64 HA PHE 64 -9.862 4.454 1.191 465 HB2 PHE 64 1HB PHE 64 -7.042 5.530 1.244 466 HB3 PHE 64 2HB PHE 64 -8.092 5.665 -0.163 467 HD1 PHE 64 2HD PHE 64 -8.564 6.175 3.507 468 HD2 PHE 64 1HD PHE 64 -8.900 7.790 -0.417 469 HE1 PHE 64 2HE PHE 64 -9.543 8.228 4.440 470 HE2 PHE 64 1HE PHE 64 -9.879 9.847 0.511 471 HZ PHE 64 HZ PHE 64 -10.202 10.069 2.942 472 H VAL 65 H VAL 65 -7.592 2.227 2.104 473 HA VAL 65 HA VAL 65 -7.510 1.053 -0.600 474 HB VAL 65 HB VAL 65 -5.365 0.096 -0.158 475 HG11 VAL 65 1HG1 VAL 65 -4.152 1.972 -0.495 476 HG12 VAL 65 2HG1 VAL 65 -5.745 2.728 -0.560 477 HG13 VAL 65 3HG1 VAL 65 -4.803 2.779 0.931 478 HG21 VAL 65 3HG2 VAL 65 -4.905 -0.510 1.939 479 HG22 VAL 65 1HG2 VAL 65 -4.441 1.167 2.223 480 HG23 VAL 65 2HG2 VAL 65 -6.076 0.628 2.602 481 H HIS 66 H HIS 66 -7.396 -1.306 -0.653 482 HA HIS 66 HA HIS 66 -8.525 -2.592 1.738 483 HB2 HIS 66 1HB HIS 66 -10.285 -3.548 0.600 484 HB3 HIS 66 2HB HIS 66 -10.161 -2.012 -0.251 485 HD1 HIS 66 1HD HIS 66 -10.675 -5.384 -0.988 486 HD2 HIS 66 2HD HIS 66 -8.177 -2.477 -2.591 487 HE1 HIS 66 1HE HIS 66 -10.081 -6.203 -3.291 488 HE2 HIS 66 2HE HIS 66 -8.501 -4.470 -4.208 489 H ILE 67 H ILE 67 -7.314 -4.243 2.363 490 HA ILE 67 HA ILE 67 -5.067 -5.179 1.038 491 HB ILE 67 HB ILE 67 -6.750 -6.650 3.070 492 HG12 ILE 67 1HG1 ILE 67 -4.166 -5.295 3.705 493 HG13 ILE 67 2HG1 ILE 67 -5.603 -4.297 3.511 494 HG21 ILE 67 1HG2 ILE 67 -4.226 -7.543 3.441 495 HG22 ILE 67 2HG2 ILE 67 -5.434 -8.371 2.460 496 HG23 ILE 67 3HG2 ILE 67 -4.242 -7.323 1.691 497 HD11 ILE 67 3HD1 ILE 67 -6.729 -5.629 5.241 498 HD12 ILE 67 1HD1 ILE 67 -5.246 -6.559 5.462 499 HD13 ILE 67 2HD1 ILE 67 -5.271 -4.835 5.832 500 H LEU 68 H LEU 68 -4.748 -6.505 -0.621 501 HA LEU 68 HA LEU 68 -6.998 -7.763 -1.912 502 HB2 LEU 68 1HB LEU 68 -4.109 -8.083 -2.667 503 HB3 LEU 68 2HB LEU 68 -5.531 -8.237 -3.697 504 HG LEU 68 HG LEU 68 -4.955 -5.589 -2.462 505 HD11 LEU 68 1HD1 LEU 68 -3.302 -6.935 -4.540 506 HD12 LEU 68 2HD1 LEU 68 -2.819 -5.832 -3.251 507 HD13 LEU 68 3HD1 LEU 68 -3.626 -5.208 -4.689 508 HD21 LEU 68 3HD2 LEU 68 -6.475 -6.713 -4.716 509 HD22 LEU 68 1HD2 LEU 68 -5.659 -5.184 -5.039 510 HD23 LEU 68 2HD2 LEU 68 -6.809 -5.306 -3.707 511 H SER 69 H SER 69 -7.669 -9.365 -0.469 512 HA SER 69 HA SER 69 -5.868 -11.354 0.530 513 HB2 SER 69 1HB SER 69 -8.162 -10.548 1.497 514 HB3 SER 69 2HB SER 69 -8.840 -11.753 0.402 515 HG SER 69 HG SER 69 -6.770 -12.352 2.236 516 H ASP 70 H ASP 70 -5.082 -13.012 -0.567 517 HA ASP 70 HA ASP 70 -6.527 -13.940 -2.957 518 HB2 ASP 70 1HB ASP 70 -4.119 -13.035 -3.113 519 HB3 ASP 70 2HB ASP 70 -3.642 -14.546 -2.343 520 H SER 71 H SER 71 -7.887 -15.468 -2.125 521 HA SER 71 HA SER 71 -6.634 -17.703 -0.667 522 HB2 SER 71 1HB SER 71 -8.923 -18.177 0.213 523 HB3 SER 71 2HB SER 71 -8.300 -16.602 0.708 524 HG SER 71 HG SER 71 -10.049 -17.040 -1.485 525 H GLY 72 H GLY 72 -6.406 -19.500 -1.808 526 HA2 GLY 72 1HA GLY 72 -8.437 -20.124 -3.857 527 HA3 GLY 72 2HA GLY 72 -6.723 -20.280 -4.208 528 HA PRO 73 HA PRO 73 -8.661 -24.087 -1.972 529 HB2 PRO 73 1HB PRO 73 -9.627 -25.515 -4.070 530 HB3 PRO 73 2HB PRO 73 -10.615 -24.374 -3.149 531 HG2 PRO 73 1HG PRO 73 -9.238 -23.994 -5.780 532 HG3 PRO 73 2HG PRO 73 -10.866 -23.494 -5.287 533 HD2 PRO 73 1HD PRO 73 -8.774 -21.777 -5.357 534 HD3 PRO 73 2HD PRO 73 -10.093 -21.627 -4.179 535 H SER 74 H SER 74 -6.640 -23.396 -4.646 536 HA SER 74 HA SER 74 -5.563 -25.706 -5.520 537 HB2 SER 74 1HB SER 74 -4.801 -23.307 -6.005 538 HB3 SER 74 2HB SER 74 -3.758 -23.472 -4.594 539 HG SER 74 HG SER 74 -3.195 -25.577 -5.853 540 H SER 75 H SER 75 -5.408 -27.467 -4.240 541 HA SER 75 HA SER 75 -3.916 -27.243 -1.721 542 HB2 SER 75 1HB SER 75 -6.273 -28.332 -1.915 543 HB3 SER 75 2HB SER 75 -5.402 -29.707 -2.592 544 HG SER 75 HG SER 75 -4.713 -28.513 -0.119 545 H GLY 76 H GLY 76 -1.800 -27.288 -2.405 546 HA2 GLY 76 1HA GLY 76 -0.788 -29.054 -4.374 547 HA3 GLY 76 2HA GLY 76 0.168 -28.173 -3.193 Start of MODEL 13 1 H1 GLY 1 H GLY 1 20.134 -24.271 10.568 2 HA2 GLY 1 1HA GLY 1 21.732 -24.564 12.260 3 HA3 GLY 1 2HA GLY 1 22.623 -23.585 11.104 4 H SER 2 H SER 2 21.340 -21.135 11.442 5 HA SER 2 HA SER 2 21.373 -20.446 14.247 6 HB2 SER 2 1HB SER 2 23.598 -19.636 12.385 7 HB3 SER 2 2HB SER 2 23.178 -18.659 13.791 8 HG SER 2 HG SER 2 23.435 -20.699 15.004 9 H SER 3 H SER 3 19.713 -19.113 14.451 10 HA SER 3 HA SER 3 19.306 -17.036 12.407 11 HB2 SER 3 1HB SER 3 16.847 -17.332 12.687 12 HB3 SER 3 2HB SER 3 17.637 -18.748 11.993 13 HG SER 3 HG SER 3 16.527 -19.681 13.551 14 H GLY 4 H GLY 4 17.722 -15.319 13.257 15 HA2 GLY 4 1HA GLY 4 17.505 -14.951 16.077 16 HA3 GLY 4 2HA GLY 4 18.826 -14.001 15.415 17 H SER 5 H SER 5 15.418 -14.303 15.758 18 HA SER 5 HA SER 5 13.658 -12.976 15.174 19 HB2 SER 5 1HB SER 5 14.926 -11.433 16.650 20 HB3 SER 5 2HB SER 5 15.765 -10.802 15.234 21 HG SER 5 HG SER 5 12.950 -10.814 15.364 22 H SER 6 H SER 6 14.961 -14.254 13.005 23 HA SER 6 HA SER 6 14.957 -12.262 10.862 24 HB2 SER 6 1HB SER 6 15.865 -15.133 11.011 25 HB3 SER 6 2HB SER 6 15.699 -14.290 9.472 26 HG SER 6 HG SER 6 17.220 -13.238 11.612 27 H GLY 7 H GLY 7 12.984 -11.807 10.115 28 HA2 GLY 7 1HA GLY 7 11.469 -13.463 8.556 29 HA3 GLY 7 2HA GLY 7 10.836 -13.716 10.176 30 H ASN 8 H ASN 8 10.067 -12.227 7.493 31 HA ASN 8 HA ASN 8 8.733 -10.034 8.901 32 HB2 ASN 8 1HB ASN 8 10.870 -9.281 7.661 33 HB3 ASN 8 2HB ASN 8 9.948 -9.564 6.188 34 HD21 ASN 8 1HD2 ASN 8 10.642 -7.159 6.208 35 HD22 ASN 8 2HD2 ASN 8 9.446 -6.061 6.803 36 H LYS 9 H LYS 9 6.747 -9.421 8.032 37 HA LYS 9 HA LYS 9 5.651 -11.309 6.061 38 HB2 LYS 9 1HB LYS 9 4.446 -9.837 8.378 39 HB3 LYS 9 2HB LYS 9 3.421 -10.361 7.048 40 HG2 LYS 9 1HG LYS 9 4.594 -12.669 7.469 41 HG3 LYS 9 2HG LYS 9 4.885 -11.980 9.068 42 HD2 LYS 9 1HD LYS 9 2.609 -11.809 9.542 43 HD3 LYS 9 2HD LYS 9 2.150 -11.913 7.840 44 HE2 LYS 9 1HE LYS 9 3.320 -14.151 9.491 45 HE3 LYS 9 2HE LYS 9 1.620 -13.973 9.063 46 HZ1 LYS 9 3HZ LYS 9 3.620 -15.223 7.593 47 HZ2 LYS 9 1HZ LYS 9 3.189 -13.832 6.731 48 HZ3 LYS 9 2HZ LYS 9 2.009 -14.971 7.143 49 H VAL 10 H VAL 10 4.649 -10.593 4.237 50 HA VAL 10 HA VAL 10 5.014 -7.768 3.588 51 HB VAL 10 HB VAL 10 4.826 -8.345 1.313 52 HG11 VAL 10 1HG1 VAL 10 6.654 -9.654 2.974 53 HG12 VAL 10 2HG1 VAL 10 6.118 -10.867 1.810 54 HG13 VAL 10 3HG1 VAL 10 6.809 -9.346 1.245 55 HG21 VAL 10 3HG2 VAL 10 3.368 -10.722 2.343 56 HG22 VAL 10 1HG2 VAL 10 2.978 -9.651 0.997 57 HG23 VAL 10 2HG2 VAL 10 4.236 -10.874 0.816 58 H ARG 11 H ARG 11 3.345 -6.488 2.698 59 HA ARG 11 HA ARG 11 0.613 -7.501 3.061 60 HB2 ARG 11 1HB ARG 11 1.901 -5.191 4.406 61 HB3 ARG 11 2HB ARG 11 0.255 -4.954 3.836 62 HG2 ARG 11 1HG ARG 11 0.841 -7.402 5.406 63 HG3 ARG 11 2HG ARG 11 0.781 -5.857 6.258 64 HD2 ARG 11 1HD ARG 11 -1.455 -5.464 5.204 65 HD3 ARG 11 2HD ARG 11 -1.388 -7.113 4.585 66 HE ARG 11 HE ARG 11 -1.994 -7.848 6.655 67 HH11 ARG 11 1HH1 ARG 11 -0.657 -4.648 6.963 68 HH12 ARG 11 2HH1 ARG 11 -1.014 -4.521 8.654 69 HH21 ARG 11 1HH2 ARG 11 -2.468 -7.692 8.881 70 HH22 ARG 11 2HH2 ARG 11 -2.043 -6.253 9.744 71 H ARG 12 H ARG 12 -0.240 -7.443 1.087 72 HA ARG 12 HA ARG 12 0.426 -5.200 -0.687 73 HB2 ARG 12 1HB ARG 12 0.628 -7.767 -1.293 74 HB3 ARG 12 2HB ARG 12 -1.089 -7.592 -1.632 75 HG2 ARG 12 1HG ARG 12 -0.364 -5.573 -3.068 76 HG3 ARG 12 2HG ARG 12 1.242 -6.299 -2.983 77 HD2 ARG 12 1HD ARG 12 0.371 -8.369 -3.924 78 HD3 ARG 12 2HD ARG 12 -1.252 -7.682 -3.964 79 HE ARG 12 HE ARG 12 -0.673 -6.472 -5.838 80 HH11 ARG 12 1HH1 ARG 12 2.162 -7.927 -4.434 81 HH12 ARG 12 2HH1 ARG 12 3.179 -7.562 -5.788 82 HH21 ARG 12 1HH2 ARG 12 0.658 -5.986 -7.627 83 HH22 ARG 12 2HH2 ARG 12 2.323 -6.457 -7.604 84 H VAL 13 H VAL 13 -1.016 -3.636 -0.943 85 HA VAL 13 HA VAL 13 -3.864 -4.254 -0.493 86 HB VAL 13 HB VAL 13 -4.158 -1.937 0.307 87 HG11 VAL 13 1HG1 VAL 13 -3.965 -2.849 2.321 88 HG12 VAL 13 2HG1 VAL 13 -2.902 -4.095 1.668 89 HG13 VAL 13 3HG1 VAL 13 -2.223 -2.584 2.274 90 HG21 VAL 13 3HG2 VAL 13 -2.550 -0.515 -0.366 91 HG22 VAL 13 1HG2 VAL 13 -1.722 -1.042 1.099 92 HG23 VAL 13 2HG2 VAL 13 -1.324 -1.780 -0.452 93 H LYS 14 H LYS 14 -5.225 -2.304 -1.425 94 HA LYS 14 HA LYS 14 -4.139 -1.348 -3.958 95 HB2 LYS 14 1HB LYS 14 -5.226 -3.573 -4.378 96 HB3 LYS 14 2HB LYS 14 -6.746 -2.872 -3.839 97 HG2 LYS 14 1HG LYS 14 -6.154 -1.077 -5.689 98 HG3 LYS 14 2HG LYS 14 -5.231 -2.429 -6.349 99 HD2 LYS 14 1HD LYS 14 -7.451 -3.755 -5.929 100 HD3 LYS 14 2HD LYS 14 -8.179 -2.147 -5.962 101 HE2 LYS 14 1HE LYS 14 -8.319 -2.669 -8.178 102 HE3 LYS 14 2HE LYS 14 -6.719 -1.929 -8.156 103 HZ1 LYS 14 3HZ LYS 14 -6.360 -4.608 -7.551 104 HZ2 LYS 14 1HZ LYS 14 -5.933 -3.811 -8.981 105 HZ3 LYS 14 2HZ LYS 14 -7.439 -4.569 -8.853 106 H THR 15 H THR 15 -4.803 0.659 -4.415 107 HA THR 15 HA THR 15 -6.425 2.084 -2.564 108 HB THR 15 HB THR 15 -6.106 4.014 -3.982 109 HG1 THR 15 1HG THR 15 -6.336 3.350 -6.043 110 HG21 THR 15 3HG2 THR 15 -4.166 3.769 -2.773 111 HG22 THR 15 1HG2 THR 15 -3.527 3.706 -4.415 112 HG23 THR 15 2HG2 THR 15 -3.775 2.215 -3.507 113 H ILE 16 H ILE 16 -8.528 1.511 -2.456 114 HA ILE 16 HA ILE 16 -10.071 0.946 -4.828 115 HB ILE 16 HB ILE 16 -11.995 0.851 -3.154 116 HG12 ILE 16 1HG1 ILE 16 -9.773 0.791 -1.117 117 HG13 ILE 16 2HG1 ILE 16 -10.681 2.257 -1.466 118 HG21 ILE 16 1HG2 ILE 16 -10.414 -1.192 -2.035 119 HG22 ILE 16 2HG2 ILE 16 -11.549 -1.311 -3.378 120 HG23 ILE 16 3HG2 ILE 16 -9.849 -0.959 -3.690 121 HD11 ILE 16 3HD1 ILE 16 -11.586 1.179 0.478 122 HD12 ILE 16 1HD1 ILE 16 -12.752 1.083 -0.840 123 HD13 ILE 16 2HD1 ILE 16 -11.788 -0.331 -0.409 124 H TYR 17 H TYR 17 -9.123 3.739 -3.271 125 HA TYR 17 HA TYR 17 -11.256 5.256 -4.593 126 HB2 TYR 17 1HB TYR 17 -10.265 5.811 -1.788 127 HB3 TYR 17 2HB TYR 17 -11.450 6.766 -2.675 128 HD1 TYR 17 1HD TYR 17 -13.412 5.112 -3.694 129 HD2 TYR 17 2HD TYR 17 -11.168 4.502 -0.131 130 HE1 TYR 17 1HE TYR 17 -15.221 3.704 -2.803 131 HE2 TYR 17 2HE TYR 17 -12.970 3.091 0.769 132 HH TYR 17 HH TYR 17 -15.852 3.075 -0.001 133 H ASP 18 H ASP 18 -10.688 7.523 -4.964 134 HA ASP 18 HA ASP 18 -7.929 7.752 -5.786 135 HB2 ASP 18 1HB ASP 18 -8.775 10.055 -6.589 136 HB3 ASP 18 2HB ASP 18 -9.413 8.616 -7.379 137 H CYS 19 H CYS 19 -6.404 9.158 -5.006 138 HA CYS 19 HA CYS 19 -7.033 11.106 -2.987 139 HB2 CYS 19 1HB CYS 19 -6.802 8.704 -1.906 140 HB3 CYS 19 2HB CYS 19 -5.081 9.037 -2.069 141 HG CYS 19 HG CYS 19 -4.963 10.218 0.199 142 H GLN 20 H GLN 20 -5.539 12.701 -2.927 143 HA GLN 20 HA GLN 20 -3.020 12.240 -4.384 144 HB2 GLN 20 1HB GLN 20 -3.303 14.854 -4.764 145 HB3 GLN 20 2HB GLN 20 -4.022 13.674 -5.853 146 HG2 GLN 20 1HG GLN 20 -5.628 14.587 -3.532 147 HG3 GLN 20 2HG GLN 20 -5.398 15.701 -4.879 148 HE21 GLN 20 1HE2 GLN 20 -5.779 14.639 -7.074 149 HE22 GLN 20 2HE2 GLN 20 -7.188 13.647 -7.199 150 H ALA 21 H ALA 21 -1.278 12.473 -3.163 151 HA ALA 21 HA ALA 21 -1.284 13.249 -0.495 152 HB1 ALA 21 3HB ALA 21 1.296 13.779 -1.488 153 HB2 ALA 21 1HB ALA 21 0.724 12.326 -0.666 154 HB3 ALA 21 2HB ALA 21 0.658 12.429 -2.426 155 H ASP 22 H ASP 22 -1.764 15.173 0.320 156 HA ASP 22 HA ASP 22 -1.607 17.587 -1.197 157 HB2 ASP 22 1HB ASP 22 -3.307 17.176 0.576 158 HB3 ASP 22 2HB ASP 22 -2.024 17.258 1.781 159 H ASN 23 H ASN 23 0.740 15.803 0.290 160 HA ASN 23 HA ASN 23 2.511 18.134 0.448 161 HB2 ASN 23 1HB ASN 23 1.989 16.111 2.594 162 HB3 ASN 23 2HB ASN 23 3.596 16.818 2.450 163 HD21 ASN 23 1HD2 ASN 23 0.185 17.775 2.547 164 HD22 ASN 23 2HD2 ASN 23 0.433 19.194 3.501 165 H ASP 24 H ASP 24 4.869 17.078 0.984 166 HA ASP 24 HA ASP 24 5.386 15.406 -1.331 167 HB2 ASP 24 1HB ASP 24 6.864 17.272 -1.051 168 HB3 ASP 24 2HB ASP 24 7.206 16.824 0.618 169 H ASP 25 H ASP 25 5.276 15.142 2.127 170 HA ASP 25 HA ASP 25 6.764 12.703 2.305 171 HB2 ASP 25 1HB ASP 25 4.760 13.616 4.352 172 HB3 ASP 25 2HB ASP 25 6.261 12.727 4.598 173 H GLU 26 H GLU 26 3.415 13.557 1.813 174 HA GLU 26 HA GLU 26 2.416 10.904 2.302 175 HB2 GLU 26 1HB GLU 26 1.153 13.366 1.092 176 HB3 GLU 26 2HB GLU 26 0.296 11.848 1.315 177 HG2 GLU 26 1HG GLU 26 0.959 12.049 3.776 178 HG3 GLU 26 2HG GLU 26 1.351 13.724 3.395 179 H LEU 27 H LEU 27 1.090 9.802 0.563 180 HA LEU 27 HA LEU 27 2.657 9.769 -1.923 181 HB2 LEU 27 1HB LEU 27 2.593 7.696 -0.556 182 HB3 LEU 27 2HB LEU 27 0.850 7.630 -0.808 183 HG LEU 27 HG LEU 27 1.286 7.422 -3.258 184 HD11 LEU 27 1HD1 LEU 27 3.770 8.316 -2.712 185 HD12 LEU 27 2HD1 LEU 27 3.346 7.404 -4.161 186 HD13 LEU 27 3HD1 LEU 27 4.064 6.577 -2.778 187 HD21 LEU 27 3HD2 LEU 27 2.768 5.167 -2.068 188 HD22 LEU 27 1HD2 LEU 27 1.330 5.172 -3.090 189 HD23 LEU 27 2HD2 LEU 27 1.187 5.512 -1.366 190 H THR 28 H THR 28 1.551 9.461 -3.937 191 HA THR 28 HA THR 28 -1.237 10.423 -3.892 192 HB THR 28 HB THR 28 0.951 11.056 -5.878 193 HG1 THR 28 1HG THR 28 -0.551 13.089 -4.803 194 HG21 THR 28 3HG2 THR 28 -0.780 12.399 -7.048 195 HG22 THR 28 1HG2 THR 28 -2.004 11.668 -6.009 196 HG23 THR 28 2HG2 THR 28 -1.079 10.663 -7.126 197 H PHE 29 H PHE 29 -2.605 8.902 -4.526 198 HA PHE 29 HA PHE 29 -1.890 7.214 -6.813 199 HB2 PHE 29 1HB PHE 29 -2.904 5.247 -5.667 200 HB3 PHE 29 2HB PHE 29 -1.434 5.824 -4.890 201 HD1 PHE 29 2HD PHE 29 -5.098 5.661 -4.636 202 HD2 PHE 29 1HD PHE 29 -1.462 6.696 -2.678 203 HE1 PHE 29 2HE PHE 29 -6.304 5.838 -2.498 204 HE2 PHE 29 1HE PHE 29 -2.662 6.874 -0.538 205 HZ PHE 29 HZ PHE 29 -5.086 6.447 -0.446 206 H ILE 30 H ILE 30 -3.957 5.862 -7.427 207 HA ILE 30 HA ILE 30 -6.390 7.445 -7.056 208 HB ILE 30 HB ILE 30 -6.886 7.383 -9.472 209 HG12 ILE 30 1HG1 ILE 30 -4.011 6.789 -10.045 210 HG13 ILE 30 2HG1 ILE 30 -5.110 5.447 -9.744 211 HG21 ILE 30 1HG2 ILE 30 -5.905 9.378 -8.439 212 HG22 ILE 30 2HG2 ILE 30 -4.293 8.772 -8.813 213 HG23 ILE 30 3HG2 ILE 30 -5.399 9.195 -10.118 214 HD11 ILE 30 3HD1 ILE 30 -4.941 5.827 -12.102 215 HD12 ILE 30 1HD1 ILE 30 -6.556 6.285 -11.564 216 HD13 ILE 30 2HD1 ILE 30 -5.352 7.529 -11.900 217 H GLU 31 H GLU 31 -8.334 6.314 -7.542 218 HA GLU 31 HA GLU 31 -8.547 3.751 -6.650 219 HB2 GLU 31 1HB GLU 31 -10.474 5.219 -7.039 220 HB3 GLU 31 2HB GLU 31 -10.268 5.041 -8.775 221 HG2 GLU 31 1HG GLU 31 -10.544 2.514 -8.303 222 HG3 GLU 31 2HG GLU 31 -11.241 3.049 -6.776 223 H GLY 32 H GLY 32 -7.647 1.923 -7.314 224 HA2 GLY 32 1HA GLY 32 -7.603 0.154 -8.956 225 HA3 GLY 32 2HA GLY 32 -7.551 1.384 -10.210 226 H GLU 33 H GLU 33 -5.608 1.281 -7.263 227 HA GLU 33 HA GLU 33 -3.232 0.745 -8.911 228 HB2 GLU 33 1HB GLU 33 -3.665 2.954 -6.920 229 HB3 GLU 33 2HB GLU 33 -2.049 2.364 -7.276 230 HG2 GLU 33 1HG GLU 33 -3.991 3.577 -9.228 231 HG3 GLU 33 2HG GLU 33 -2.516 4.313 -8.603 232 H VAL 34 H VAL 34 -1.472 -0.245 -7.821 233 HA VAL 34 HA VAL 34 -2.286 -1.674 -5.378 234 HB VAL 34 HB VAL 34 -0.256 -2.462 -7.473 235 HG11 VAL 34 1HG1 VAL 34 0.559 -3.289 -5.419 236 HG12 VAL 34 2HG1 VAL 34 -1.055 -3.749 -4.875 237 HG13 VAL 34 3HG1 VAL 34 -0.275 -4.643 -6.181 238 HG21 VAL 34 3HG2 VAL 34 -1.781 -4.073 -8.219 239 HG22 VAL 34 1HG2 VAL 34 -2.785 -3.920 -6.777 240 HG23 VAL 34 2HG2 VAL 34 -2.766 -2.629 -7.978 241 H ILE 35 H ILE 35 -1.106 -1.506 -3.562 242 HA ILE 35 HA ILE 35 1.450 -0.047 -3.716 243 HB ILE 35 HB ILE 35 -0.495 0.117 -1.416 244 HG12 ILE 35 1HG1 ILE 35 -0.045 2.031 -3.714 245 HG13 ILE 35 2HG1 ILE 35 -1.526 1.154 -3.348 246 HG21 ILE 35 1HG2 ILE 35 1.047 2.291 -1.196 247 HG22 ILE 35 2HG2 ILE 35 1.455 0.747 -0.452 248 HG23 ILE 35 3HG2 ILE 35 2.193 1.209 -1.986 249 HD11 ILE 35 3HD1 ILE 35 -2.143 3.050 -2.351 250 HD12 ILE 35 1HD1 ILE 35 -1.107 2.509 -1.031 251 HD13 ILE 35 2HD1 ILE 35 -0.487 3.642 -2.232 252 H ILE 36 H ILE 36 3.143 -0.840 -2.566 253 HA ILE 36 HA ILE 36 2.747 -3.452 -1.305 254 HB ILE 36 HB ILE 36 5.288 -2.067 -2.168 255 HG12 ILE 36 1HG1 ILE 36 4.016 -2.782 -4.083 256 HG13 ILE 36 2HG1 ILE 36 5.343 -3.917 -3.858 257 HG21 ILE 36 1HG2 ILE 36 4.869 -4.829 -1.036 258 HG22 ILE 36 2HG2 ILE 36 6.383 -4.216 -1.700 259 HG23 ILE 36 3HG2 ILE 36 5.698 -3.488 -0.246 260 HD11 ILE 36 3HD1 ILE 36 3.693 -5.385 -2.630 261 HD12 ILE 36 1HD1 ILE 36 2.435 -4.315 -3.248 262 HD13 ILE 36 2HD1 ILE 36 3.458 -5.214 -4.369 263 H VAL 37 H VAL 37 2.079 -3.054 0.756 264 HA VAL 37 HA VAL 37 3.056 -0.996 2.419 265 HB VAL 37 HB VAL 37 1.759 -3.613 3.194 266 HG11 VAL 37 1HG1 VAL 37 1.135 -2.269 5.263 267 HG12 VAL 37 2HG1 VAL 37 2.812 -2.805 5.137 268 HG13 VAL 37 3HG1 VAL 37 2.388 -1.132 4.770 269 HG21 VAL 37 3HG2 VAL 37 0.564 -1.862 1.667 270 HG22 VAL 37 1HG2 VAL 37 -0.298 -2.583 3.027 271 HG23 VAL 37 2HG2 VAL 37 0.380 -0.962 3.173 272 H THR 38 H THR 38 5.132 -0.823 2.967 273 HA THR 38 HA THR 38 6.592 -3.263 3.739 274 HB THR 38 HB THR 38 8.661 -2.043 3.278 275 HG1 THR 38 1HG THR 38 8.580 0.062 3.208 276 HG21 THR 38 3HG2 THR 38 8.155 -3.145 1.349 277 HG22 THR 38 1HG2 THR 38 8.028 -1.495 0.742 278 HG23 THR 38 2HG2 THR 38 6.573 -2.382 1.197 279 H GLY 39 H GLY 39 5.647 -0.047 4.738 280 HA2 GLY 39 1HA GLY 39 6.729 -0.646 7.419 281 HA3 GLY 39 2HA GLY 39 6.911 0.947 6.700 282 H GLU 40 H GLU 40 4.803 -1.224 8.354 283 HA GLU 40 HA GLU 40 2.423 0.344 8.007 284 HB2 GLU 40 1HB GLU 40 2.890 -1.699 10.170 285 HB3 GLU 40 2HB GLU 40 1.363 -1.210 9.449 286 HG2 GLU 40 1HG GLU 40 1.652 -3.185 8.382 287 HG3 GLU 40 2HG GLU 40 2.513 -2.135 7.258 288 H GLU 41 H GLU 41 2.940 2.429 8.681 289 HA GLU 41 HA GLU 41 4.206 3.135 11.063 290 HB2 GLU 41 1HB GLU 41 3.395 4.551 8.975 291 HB3 GLU 41 2HB GLU 41 2.008 4.859 10.011 292 HG2 GLU 41 1HG GLU 41 4.730 5.255 11.135 293 HG3 GLU 41 2HG GLU 41 4.101 6.447 10.000 294 H ASP 42 H ASP 42 0.709 2.997 10.382 295 HA ASP 42 HA ASP 42 0.243 2.294 13.182 296 HB2 ASP 42 1HB ASP 42 -1.123 4.587 11.758 297 HB3 ASP 42 2HB ASP 42 -1.640 3.926 13.306 298 H GLN 43 H GLN 43 -2.283 1.925 13.424 299 HA GLN 43 HA GLN 43 -2.906 -0.209 11.632 300 HB2 GLN 43 1HB GLN 43 -4.981 -0.411 12.967 301 HB3 GLN 43 2HB GLN 43 -3.533 -0.375 13.965 302 HG2 GLN 43 1HG GLN 43 -3.962 2.071 14.323 303 HG3 GLN 43 2HG GLN 43 -5.518 1.838 13.527 304 HE21 GLN 43 1HE2 GLN 43 -3.776 1.607 16.422 305 HE22 GLN 43 2HE2 GLN 43 -5.005 0.873 17.387 306 H GLU 44 H GLU 44 -3.700 3.149 11.797 307 HA GLU 44 HA GLU 44 -5.839 2.826 9.817 308 HB2 GLU 44 1HB GLU 44 -5.018 5.133 11.574 309 HB3 GLU 44 2HB GLU 44 -6.166 5.316 10.256 310 HG2 GLU 44 1HG GLU 44 -7.464 3.416 11.381 311 HG3 GLU 44 2HG GLU 44 -6.451 3.742 12.787 312 H TRP 45 H TRP 45 -2.555 3.548 10.039 313 HA TRP 45 HA TRP 45 -2.567 4.553 7.282 314 HB2 TRP 45 1HB TRP 45 -1.089 5.758 9.622 315 HB3 TRP 45 2HB TRP 45 -0.628 6.063 7.949 316 HD1 TRP 45 HD TRP 45 -3.897 6.341 10.044 317 HE1 TRP 45 1HE TRP 45 -5.110 8.493 9.321 318 HE3 TRP 45 3HE TRP 45 -0.661 7.914 6.413 319 HZ2 TRP 45 2HZ TRP 45 -4.742 10.581 7.458 320 HZ3 TRP 45 3HZ TRP 45 -1.165 9.999 5.206 321 HH2 TRP 45 HH TRP 45 -3.165 11.303 5.720 322 H TRP 46 H TRP 46 -0.972 3.756 5.995 323 HA TRP 46 HA TRP 46 1.103 2.099 7.258 324 HB2 TRP 46 1HB TRP 46 -0.761 1.347 5.015 325 HB3 TRP 46 2HB TRP 46 0.799 0.554 5.217 326 HD1 TRP 46 HD TRP 46 0.300 0.807 8.589 327 HE1 TRP 46 1HE TRP 46 -1.107 -1.083 9.625 328 HE3 TRP 46 3HE TRP 46 -1.957 -0.943 4.349 329 HZ2 TRP 46 2HZ TRP 46 -2.931 -3.055 8.760 330 HZ3 TRP 46 3HZ TRP 46 -3.520 -2.834 4.540 331 HH2 TRP 46 HH TRP 46 -3.995 -3.868 6.700 332 H ILE 47 H ILE 47 2.874 1.542 5.664 333 HA ILE 47 HA ILE 47 3.317 3.783 3.803 334 HB ILE 47 HB ILE 47 5.534 2.437 5.330 335 HG12 ILE 47 1HG1 ILE 47 4.397 5.117 6.080 336 HG13 ILE 47 2HG1 ILE 47 3.733 3.638 6.765 337 HG21 ILE 47 1HG2 ILE 47 6.814 4.386 4.692 338 HG22 ILE 47 2HG2 ILE 47 6.101 3.648 3.259 339 HG23 ILE 47 3HG2 ILE 47 5.391 5.110 3.943 340 HD11 ILE 47 3HD1 ILE 47 6.136 3.103 7.450 341 HD12 ILE 47 1HD1 ILE 47 6.468 4.802 7.108 342 HD13 ILE 47 2HD1 ILE 47 5.281 4.364 8.338 343 H GLY 48 H GLY 48 4.140 3.304 1.821 344 HA2 GLY 48 1HA GLY 48 5.454 0.834 1.229 345 HA3 GLY 48 2HA GLY 48 3.786 0.826 0.678 346 H HIS 49 H HIS 49 4.934 0.529 -1.426 347 HA HIS 49 HA HIS 49 5.325 3.153 -2.661 348 HB2 HIS 49 1HB HIS 49 7.254 2.266 -3.967 349 HB3 HIS 49 2HB HIS 49 7.579 2.394 -2.240 350 HD1 HIS 49 1HD HIS 49 6.225 -0.350 -4.519 351 HD2 HIS 49 2HD HIS 49 8.887 0.206 -1.378 352 HE1 HIS 49 1HE HIS 49 7.221 -2.615 -4.073 353 HE2 HIS 49 2HE HIS 49 8.765 -2.271 -2.112 354 H ILE 50 H ILE 50 4.631 3.304 -4.770 355 HA ILE 50 HA ILE 50 2.598 1.612 -5.630 356 HB ILE 50 HB ILE 50 4.307 3.503 -7.250 357 HG12 ILE 50 1HG1 ILE 50 2.977 4.508 -5.405 358 HG13 ILE 50 2HG1 ILE 50 2.459 5.052 -6.996 359 HG21 ILE 50 1HG2 ILE 50 2.291 1.596 -8.076 360 HG22 ILE 50 2HG2 ILE 50 1.846 3.249 -8.500 361 HG23 ILE 50 3HG2 ILE 50 3.382 2.580 -9.053 362 HD11 ILE 50 3HD1 ILE 50 1.097 3.104 -5.167 363 HD12 ILE 50 1HD1 ILE 50 0.500 4.654 -5.763 364 HD13 ILE 50 2HD1 ILE 50 0.661 3.286 -6.865 365 H GLU 51 H GLU 51 2.715 -0.428 -6.269 366 HA GLU 51 HA GLU 51 4.799 -2.035 -6.703 367 HB2 GLU 51 1HB GLU 51 2.434 -2.750 -6.842 368 HB3 GLU 51 2HB GLU 51 2.331 -2.046 -8.450 369 HG2 GLU 51 1HG GLU 51 4.350 -4.159 -7.798 370 HG3 GLU 51 2HG GLU 51 2.697 -4.567 -8.253 371 H GLY 52 H GLY 52 6.483 -2.201 -8.036 372 HA2 GLY 52 1HA GLY 52 7.636 -2.143 -10.072 373 HA3 GLY 52 2HA GLY 52 6.300 -1.244 -10.777 374 H GLN 53 H GLN 53 6.155 0.832 -8.861 375 HA GLN 53 HA GLN 53 8.625 2.277 -9.530 376 HB2 GLN 53 1HB GLN 53 5.806 3.205 -9.029 377 HB3 GLN 53 2HB GLN 53 7.166 4.319 -9.005 378 HG2 GLN 53 1HG GLN 53 7.682 3.283 -11.344 379 HG3 GLN 53 2HG GLN 53 5.981 2.824 -11.290 380 HE21 GLN 53 1HE2 GLN 53 4.408 4.511 -11.036 381 HE22 GLN 53 2HE2 GLN 53 4.752 6.102 -11.614 382 HA PRO 54 HA PRO 54 9.071 1.685 -5.012 383 HB2 PRO 54 1HB PRO 54 11.785 1.706 -5.071 384 HB3 PRO 54 2HB PRO 54 10.828 0.257 -5.399 385 HG2 PRO 54 1HG PRO 54 12.116 2.152 -7.325 386 HG3 PRO 54 2HG PRO 54 12.064 0.380 -7.365 387 HD2 PRO 54 1HD PRO 54 10.425 1.919 -8.874 388 HD3 PRO 54 2HD PRO 54 9.932 0.336 -8.239 389 H GLU 55 H GLU 55 10.777 3.922 -7.167 390 HA GLU 55 HA GLU 55 11.830 5.720 -5.396 391 HB2 GLU 55 1HB GLU 55 11.336 7.471 -7.176 392 HB3 GLU 55 2HB GLU 55 12.269 6.071 -7.685 393 HG2 GLU 55 1HG GLU 55 10.362 5.099 -8.747 394 HG3 GLU 55 2HG GLU 55 9.302 6.342 -8.085 395 H ARG 56 H ARG 56 8.478 5.236 -6.213 396 HA ARG 56 HA ARG 56 7.668 7.613 -4.724 397 HB2 ARG 56 1HB ARG 56 6.151 5.641 -6.429 398 HB3 ARG 56 2HB ARG 56 5.350 6.879 -5.469 399 HG2 ARG 56 1HG ARG 56 6.605 8.606 -6.700 400 HG3 ARG 56 2HG ARG 56 7.318 7.338 -7.700 401 HD2 ARG 56 1HD ARG 56 5.546 8.050 -9.002 402 HD3 ARG 56 2HD ARG 56 4.855 6.667 -8.157 403 HE ARG 56 HE ARG 56 3.368 8.088 -7.179 404 HH11 ARG 56 1HH1 ARG 56 6.113 9.934 -8.263 405 HH12 ARG 56 2HH1 ARG 56 5.415 11.463 -7.842 406 HH21 ARG 56 1HH2 ARG 56 2.439 10.095 -6.620 407 HH22 ARG 56 2HH2 ARG 56 3.326 11.554 -6.906 408 H LYS 57 H LYS 57 7.678 7.330 -2.584 409 HA LYS 57 HA LYS 57 6.099 5.131 -1.481 410 HB2 LYS 57 1HB LYS 57 7.809 4.627 0.208 411 HB3 LYS 57 2HB LYS 57 8.402 4.321 -1.420 412 HG2 LYS 57 1HG LYS 57 9.366 6.726 -1.238 413 HG3 LYS 57 2HG LYS 57 9.163 6.476 0.498 414 HD2 LYS 57 1HD LYS 57 10.719 4.767 0.565 415 HD3 LYS 57 2HD LYS 57 10.535 4.394 -1.151 416 HE2 LYS 57 1HE LYS 57 12.550 5.461 -1.215 417 HE3 LYS 57 2HE LYS 57 11.484 6.851 -1.411 418 HZ1 LYS 57 3HZ LYS 57 11.760 7.453 0.825 419 HZ2 LYS 57 1HZ LYS 57 13.316 7.064 0.287 420 HZ3 LYS 57 2HZ LYS 57 12.454 5.968 1.242 421 H GLY 58 H GLY 58 4.635 5.973 -0.160 422 HA2 GLY 58 1HA GLY 58 5.387 7.989 1.780 423 HA3 GLY 58 2HA GLY 58 4.247 8.539 0.561 424 H VAL 59 H VAL 59 4.012 8.120 3.518 425 HA VAL 59 HA VAL 59 2.435 5.909 4.137 426 HB VAL 59 HB VAL 59 3.423 7.569 5.767 427 HG11 VAL 59 1HG1 VAL 59 0.886 9.125 5.426 428 HG12 VAL 59 2HG1 VAL 59 2.378 9.590 6.246 429 HG13 VAL 59 3HG1 VAL 59 2.323 9.521 4.485 430 HG21 VAL 59 3HG2 VAL 59 1.283 7.459 7.262 431 HG22 VAL 59 1HG2 VAL 59 0.649 6.479 5.940 432 HG23 VAL 59 2HG2 VAL 59 2.108 5.973 6.790 433 H PHE 60 H PHE 60 0.246 5.512 4.141 434 HA PHE 60 HA PHE 60 -1.551 7.524 3.023 435 HB2 PHE 60 1HB PHE 60 -2.511 5.825 1.450 436 HB3 PHE 60 2HB PHE 60 -0.873 6.332 1.048 437 HD1 PHE 60 2HD PHE 60 1.024 4.820 1.452 438 HD2 PHE 60 1HD PHE 60 -3.001 3.581 2.065 439 HE1 PHE 60 2HE PHE 60 1.750 2.469 1.444 440 HE2 PHE 60 1HE PHE 60 -2.283 1.228 2.059 441 HZ PHE 60 HZ PHE 60 0.096 0.670 1.747 442 HA PRO 61 HA PRO 61 -4.368 5.949 6.001 443 HB2 PRO 61 1HB PRO 61 -6.735 6.538 4.810 444 HB3 PRO 61 2HB PRO 61 -5.686 7.770 5.525 445 HG2 PRO 61 1HG PRO 61 -5.985 6.967 2.656 446 HG3 PRO 61 2HG PRO 61 -5.858 8.592 3.356 447 HD2 PRO 61 1HD PRO 61 -3.757 7.338 2.194 448 HD3 PRO 61 2HD PRO 61 -3.565 8.465 3.553 449 H VAL 62 H VAL 62 -4.788 3.877 6.404 450 HA VAL 62 HA VAL 62 -5.076 1.906 4.405 451 HB VAL 62 HB VAL 62 -5.807 1.735 7.332 452 HG11 VAL 62 1HG1 VAL 62 -5.960 -0.171 5.131 453 HG12 VAL 62 2HG1 VAL 62 -5.023 -0.763 6.505 454 HG13 VAL 62 3HG1 VAL 62 -6.688 -0.230 6.736 455 HG21 VAL 62 3HG2 VAL 62 -3.494 0.397 7.133 456 HG22 VAL 62 1HG2 VAL 62 -3.245 1.593 5.861 457 HG23 VAL 62 2HG2 VAL 62 -3.578 2.117 7.512 458 H SER 63 H SER 63 -7.285 4.134 5.645 459 HA SER 63 HA SER 63 -9.649 2.512 5.342 460 HB2 SER 63 1HB SER 63 -9.183 5.437 5.903 461 HB3 SER 63 2HB SER 63 -10.799 4.792 5.618 462 HG SER 63 HG SER 63 -9.186 3.484 7.480 463 H PHE 64 H PHE 64 -7.586 4.047 3.220 464 HA PHE 64 HA PHE 64 -9.698 4.511 1.232 465 HB2 PHE 64 1HB PHE 64 -6.914 5.578 1.558 466 HB3 PHE 64 2HB PHE 64 -7.680 5.589 -0.027 467 HD1 PHE 64 2HD PHE 64 -9.265 6.159 3.277 468 HD2 PHE 64 1HD PHE 64 -8.018 7.861 -0.420 469 HE1 PHE 64 2HE PHE 64 -10.420 8.252 3.855 470 HE2 PHE 64 1HE PHE 64 -9.171 9.957 0.153 471 HZ PHE 64 HZ PHE 64 -10.375 10.156 2.292 472 H VAL 65 H VAL 65 -7.498 2.210 2.169 473 HA VAL 65 HA VAL 65 -7.423 1.055 -0.542 474 HB VAL 65 HB VAL 65 -5.270 0.171 -0.207 475 HG11 VAL 65 1HG1 VAL 65 -5.439 2.978 0.858 476 HG12 VAL 65 2HG1 VAL 65 -3.904 2.179 0.510 477 HG13 VAL 65 3HG1 VAL 65 -5.072 2.452 -0.785 478 HG21 VAL 65 3HG2 VAL 65 -5.530 0.975 2.688 479 HG22 VAL 65 1HG2 VAL 65 -5.525 -0.666 2.042 480 HG23 VAL 65 2HG2 VAL 65 -4.068 0.323 1.951 481 H HIS 66 H HIS 66 -7.169 -1.346 -0.529 482 HA HIS 66 HA HIS 66 -8.329 -2.617 1.847 483 HB2 HIS 66 1HB HIS 66 -10.113 -3.557 0.743 484 HB3 HIS 66 2HB HIS 66 -9.986 -2.034 -0.134 485 HD1 HIS 66 1HD HIS 66 -8.853 -2.159 -2.526 486 HD2 HIS 66 2HD HIS 66 -9.724 -5.822 -0.768 487 HE1 HIS 66 1HE HIS 66 -8.722 -3.846 -4.386 488 HE2 HIS 66 2HE HIS 66 -9.335 -6.042 -3.316 489 H ILE 67 H ILE 67 -7.125 -4.282 2.448 490 HA ILE 67 HA ILE 67 -4.890 -5.211 1.095 491 HB ILE 67 HB ILE 67 -6.531 -6.779 3.088 492 HG12 ILE 67 1HG1 ILE 67 -4.266 -4.820 3.527 493 HG13 ILE 67 2HG1 ILE 67 -5.953 -4.564 3.960 494 HG21 ILE 67 1HG2 ILE 67 -3.570 -6.976 2.656 495 HG22 ILE 67 2HG2 ILE 67 -4.654 -8.115 3.455 496 HG23 ILE 67 3HG2 ILE 67 -4.704 -7.932 1.702 497 HD11 ILE 67 3HD1 ILE 67 -5.726 -5.666 5.873 498 HD12 ILE 67 1HD1 ILE 67 -4.861 -6.997 5.105 499 HD13 ILE 67 2HD1 ILE 67 -3.989 -5.545 5.601 500 H LEU 68 H LEU 68 -4.708 -6.329 -0.721 501 HA LEU 68 HA LEU 68 -6.926 -7.621 -1.955 502 HB2 LEU 68 1HB LEU 68 -3.991 -7.750 -2.631 503 HB3 LEU 68 2HB LEU 68 -5.308 -8.300 -3.665 504 HG LEU 68 HG LEU 68 -5.264 -5.450 -2.790 505 HD11 LEU 68 1HD1 LEU 68 -3.935 -5.035 -4.943 506 HD12 LEU 68 2HD1 LEU 68 -3.413 -6.712 -4.780 507 HD13 LEU 68 3HD1 LEU 68 -3.050 -5.548 -3.506 508 HD21 LEU 68 3HD2 LEU 68 -6.103 -5.276 -5.210 509 HD22 LEU 68 1HD2 LEU 68 -7.173 -6.001 -4.011 510 HD23 LEU 68 2HD2 LEU 68 -6.277 -7.029 -5.129 511 H SER 69 H SER 69 -7.732 -9.445 -1.137 512 HA SER 69 HA SER 69 -5.859 -11.642 -0.569 513 HB2 SER 69 1HB SER 69 -8.032 -10.541 1.155 514 HB3 SER 69 2HB SER 69 -7.766 -12.285 1.169 515 HG SER 69 HG SER 69 -5.824 -10.280 1.699 516 H ASP 70 H ASP 70 -6.515 -13.679 -1.178 517 HA ASP 70 HA ASP 70 -8.982 -13.786 -2.786 518 HB2 ASP 70 1HB ASP 70 -6.653 -14.115 -3.882 519 HB3 ASP 70 2HB ASP 70 -6.687 -15.700 -3.113 520 H SER 71 H SER 71 -9.224 -14.158 -0.075 521 HA SER 71 HA SER 71 -9.181 -17.005 0.483 522 HB2 SER 71 1HB SER 71 -8.578 -15.627 2.333 523 HB3 SER 71 2HB SER 71 -9.988 -14.591 2.110 524 HG SER 71 HG SER 71 -9.914 -16.459 3.780 525 H GLY 72 H GLY 72 -10.735 -18.209 -0.397 526 HA2 GLY 72 1HA GLY 72 -13.169 -18.712 0.123 527 HA3 GLY 72 2HA GLY 72 -13.467 -17.097 -0.503 528 HA PRO 73 HA PRO 73 -12.119 -20.000 -4.172 529 HB2 PRO 73 1HB PRO 73 -12.570 -22.639 -3.721 530 HB3 PRO 73 2HB PRO 73 -11.024 -21.855 -3.372 531 HG2 PRO 73 1HG PRO 73 -13.267 -22.536 -1.509 532 HG3 PRO 73 2HG PRO 73 -11.520 -22.728 -1.274 533 HD2 PRO 73 1HD PRO 73 -12.917 -20.668 -0.207 534 HD3 PRO 73 2HD PRO 73 -11.224 -20.510 -0.720 535 H SER 74 H SER 74 -13.474 -21.509 -5.623 536 HA SER 74 HA SER 74 -16.275 -20.753 -5.265 537 HB2 SER 74 1HB SER 74 -14.609 -21.570 -7.625 538 HB3 SER 74 2HB SER 74 -16.367 -21.689 -7.705 539 HG SER 74 HG SER 74 -16.090 -19.360 -6.798 540 H SER 75 H SER 75 -17.975 -22.292 -5.721 541 HA SER 75 HA SER 75 -17.484 -24.815 -4.442 542 HB2 SER 75 1HB SER 75 -19.575 -23.672 -4.003 543 HB3 SER 75 2HB SER 75 -19.975 -23.664 -5.721 544 HG SER 75 HG SER 75 -20.555 -25.702 -5.609 545 H GLY 76 H GLY 76 -18.770 -23.919 -7.652 546 HA2 GLY 76 1HA GLY 76 -18.019 -24.902 -9.685 547 HA3 GLY 76 2HA GLY 76 -17.427 -26.278 -8.766 Start of MODEL 14 1 H1 GLY 1 H GLY 1 7.859 -14.061 -11.919 2 HA2 GLY 1 1HA GLY 1 9.451 -11.630 -11.384 3 HA3 GLY 1 2HA GLY 1 8.535 -12.438 -10.121 4 H SER 2 H SER 2 9.840 -13.484 -8.789 5 HA SER 2 HA SER 2 11.628 -15.502 -9.733 6 HB2 SER 2 1HB SER 2 13.714 -14.545 -8.879 7 HB3 SER 2 2HB SER 2 13.030 -13.505 -10.128 8 HG SER 2 HG SER 2 12.888 -13.130 -7.318 9 H SER 3 H SER 3 11.369 -17.075 -8.309 10 HA SER 3 HA SER 3 10.080 -16.898 -5.880 11 HB2 SER 3 1HB SER 3 12.041 -18.902 -6.972 12 HB3 SER 3 2HB SER 3 11.361 -19.089 -5.355 13 HG SER 3 HG SER 3 10.128 -20.180 -6.954 14 H GLY 4 H GLY 4 10.819 -17.047 -3.692 15 HA2 GLY 4 1HA GLY 4 13.120 -17.052 -2.454 16 HA3 GLY 4 2HA GLY 4 13.280 -15.507 -3.274 17 H SER 5 H SER 5 13.436 -15.583 -0.561 18 HA SER 5 HA SER 5 11.303 -13.828 0.187 19 HB2 SER 5 1HB SER 5 10.429 -16.255 0.511 20 HB3 SER 5 2HB SER 5 11.508 -16.288 1.906 21 HG SER 5 HG SER 5 9.499 -14.333 1.456 22 H SER 6 H SER 6 11.706 -12.727 2.155 23 HA SER 6 HA SER 6 14.522 -12.807 2.935 24 HB2 SER 6 1HB SER 6 12.341 -10.754 3.319 25 HB3 SER 6 2HB SER 6 13.914 -10.626 4.106 26 HG SER 6 HG SER 6 13.888 -9.491 2.135 27 H GLY 7 H GLY 7 11.372 -12.437 4.582 28 HA2 GLY 7 1HA GLY 7 11.535 -14.474 6.386 29 HA3 GLY 7 2HA GLY 7 12.496 -13.198 7.119 30 H ASN 8 H ASN 8 11.277 -10.956 6.929 31 HA ASN 8 HA ASN 8 9.102 -11.069 8.661 32 HB2 ASN 8 1HB ASN 8 10.036 -8.896 6.785 33 HB3 ASN 8 2HB ASN 8 8.710 -8.667 7.922 34 HD21 ASN 8 1HD2 ASN 8 12.133 -9.317 7.613 35 HD22 ASN 8 2HD2 ASN 8 12.568 -8.806 9.205 36 H LYS 9 H LYS 9 6.907 -10.074 8.161 37 HA LYS 9 HA LYS 9 5.764 -11.545 5.922 38 HB2 LYS 9 1HB LYS 9 4.645 -10.228 8.373 39 HB3 LYS 9 2HB LYS 9 3.586 -10.616 7.022 40 HG2 LYS 9 1HG LYS 9 5.364 -12.662 8.315 41 HG3 LYS 9 2HG LYS 9 3.730 -12.318 8.888 42 HD2 LYS 9 1HD LYS 9 2.924 -12.785 6.552 43 HD3 LYS 9 2HD LYS 9 4.553 -13.353 6.178 44 HE2 LYS 9 1HE LYS 9 2.870 -14.457 8.421 45 HE3 LYS 9 2HE LYS 9 2.906 -15.146 6.799 46 HZ1 LYS 9 3HZ LYS 9 5.016 -15.109 8.844 47 HZ2 LYS 9 1HZ LYS 9 5.450 -15.178 7.210 48 HZ3 LYS 9 2HZ LYS 9 4.481 -16.391 7.879 49 H VAL 10 H VAL 10 4.385 -10.591 4.368 50 HA VAL 10 HA VAL 10 4.934 -7.733 3.920 51 HB VAL 10 HB VAL 10 4.588 -8.107 1.565 52 HG11 VAL 10 1HG1 VAL 10 6.411 -10.120 2.862 53 HG12 VAL 10 2HG1 VAL 10 6.396 -9.807 1.126 54 HG13 VAL 10 3HG1 VAL 10 6.822 -8.518 2.252 55 HG21 VAL 10 3HG2 VAL 10 3.269 -9.733 0.825 56 HG22 VAL 10 1HG2 VAL 10 4.434 -10.935 1.381 57 HG23 VAL 10 2HG2 VAL 10 3.148 -10.388 2.457 58 H ARG 11 H ARG 11 3.187 -6.596 2.638 59 HA ARG 11 HA ARG 11 0.493 -7.576 3.182 60 HB2 ARG 11 1HB ARG 11 1.771 -5.246 4.496 61 HB3 ARG 11 2HB ARG 11 0.124 -5.014 3.926 62 HG2 ARG 11 1HG ARG 11 0.702 -7.453 5.510 63 HG3 ARG 11 2HG ARG 11 0.663 -5.904 6.355 64 HD2 ARG 11 1HD ARG 11 -1.576 -5.525 5.184 65 HD3 ARG 11 2HD ARG 11 -1.525 -7.244 4.794 66 HE ARG 11 HE ARG 11 -2.101 -6.067 7.344 67 HH11 ARG 11 1HH1 ARG 11 -0.850 -8.889 5.734 68 HH12 ARG 11 2HH1 ARG 11 -1.230 -9.963 7.041 69 HH21 ARG 11 1HH2 ARG 11 -2.604 -7.469 9.071 70 HH22 ARG 11 2HH2 ARG 11 -2.227 -9.153 8.938 71 H ARG 12 H ARG 12 -0.405 -7.541 1.231 72 HA ARG 12 HA ARG 12 0.238 -5.339 -0.600 73 HB2 ARG 12 1HB ARG 12 0.366 -7.926 -1.152 74 HB3 ARG 12 2HB ARG 12 -1.354 -7.715 -1.454 75 HG2 ARG 12 1HG ARG 12 -0.910 -6.055 -3.135 76 HG3 ARG 12 2HG ARG 12 0.815 -6.090 -2.763 77 HD2 ARG 12 1HD ARG 12 -0.583 -8.606 -3.563 78 HD3 ARG 12 2HD ARG 12 -0.123 -7.433 -4.797 79 HE ARG 12 HE ARG 12 2.158 -7.769 -3.385 80 HH11 ARG 12 1HH1 ARG 12 -0.063 -9.978 -4.903 81 HH12 ARG 12 2HH1 ARG 12 1.150 -11.168 -5.246 82 HH21 ARG 12 1HH2 ARG 12 3.763 -9.328 -3.830 83 HH22 ARG 12 2HH2 ARG 12 3.326 -10.797 -4.634 84 H VAL 13 H VAL 13 -1.197 -3.781 -0.954 85 HA VAL 13 HA VAL 13 -4.032 -4.314 -0.349 86 HB VAL 13 HB VAL 13 -4.262 -1.970 0.363 87 HG11 VAL 13 1HG1 VAL 13 -2.086 -2.776 2.136 88 HG12 VAL 13 2HG1 VAL 13 -3.800 -2.535 2.479 89 HG13 VAL 13 3HG1 VAL 13 -3.242 -4.065 1.802 90 HG21 VAL 13 3HG2 VAL 13 -1.533 -1.831 -0.641 91 HG22 VAL 13 1HG2 VAL 13 -2.706 -0.543 -0.367 92 HG23 VAL 13 2HG2 VAL 13 -1.711 -1.127 0.966 93 H LYS 14 H LYS 14 -5.342 -2.287 -1.298 94 HA LYS 14 HA LYS 14 -4.351 -1.502 -3.916 95 HB2 LYS 14 1HB LYS 14 -5.461 -3.711 -4.247 96 HB3 LYS 14 2HB LYS 14 -6.952 -3.016 -3.626 97 HG2 LYS 14 1HG LYS 14 -6.641 -1.273 -5.513 98 HG3 LYS 14 2HG LYS 14 -5.545 -2.472 -6.204 99 HD2 LYS 14 1HD LYS 14 -7.595 -4.081 -5.693 100 HD3 LYS 14 2HD LYS 14 -8.494 -2.568 -5.840 101 HE2 LYS 14 1HE LYS 14 -6.476 -3.247 -7.925 102 HE3 LYS 14 2HE LYS 14 -8.022 -4.095 -7.937 103 HZ1 LYS 14 3HZ LYS 14 -8.243 -1.236 -7.628 104 HZ2 LYS 14 1HZ LYS 14 -9.094 -2.284 -8.648 105 HZ3 LYS 14 2HZ LYS 14 -7.568 -1.715 -9.104 106 H THR 15 H THR 15 -4.888 0.541 -4.297 107 HA THR 15 HA THR 15 -6.470 2.041 -2.502 108 HB THR 15 HB THR 15 -6.164 3.915 -4.007 109 HG1 THR 15 1HG THR 15 -6.362 3.271 -6.048 110 HG21 THR 15 3HG2 THR 15 -3.647 3.747 -4.347 111 HG22 THR 15 1HG2 THR 15 -3.771 2.115 -3.690 112 HG23 THR 15 2HG2 THR 15 -4.236 3.501 -2.704 113 H ILE 16 H ILE 16 -8.569 1.407 -2.330 114 HA ILE 16 HA ILE 16 -10.192 0.815 -4.621 115 HB ILE 16 HB ILE 16 -12.071 0.931 -2.851 116 HG12 ILE 16 1HG1 ILE 16 -9.722 0.740 -0.967 117 HG13 ILE 16 2HG1 ILE 16 -10.574 2.252 -1.265 118 HG21 ILE 16 1HG2 ILE 16 -11.821 -1.297 -2.574 119 HG22 ILE 16 2HG2 ILE 16 -10.534 -1.073 -3.756 120 HG23 ILE 16 3HG2 ILE 16 -10.148 -1.153 -2.038 121 HD11 ILE 16 3HD1 ILE 16 -11.979 -0.227 -0.328 122 HD12 ILE 16 1HD1 ILE 16 -11.252 0.935 0.782 123 HD13 ILE 16 2HD1 ILE 16 -12.552 1.441 -0.297 124 H TYR 17 H TYR 17 -9.255 3.662 -3.034 125 HA TYR 17 HA TYR 17 -11.341 5.161 -4.468 126 HB2 TYR 17 1HB TYR 17 -10.285 5.827 -1.712 127 HB3 TYR 17 2HB TYR 17 -11.474 6.756 -2.618 128 HD1 TYR 17 1HD TYR 17 -13.285 4.730 -3.643 129 HD2 TYR 17 2HD TYR 17 -11.367 4.966 0.147 130 HE1 TYR 17 1HE TYR 17 -15.093 3.390 -2.651 131 HE2 TYR 17 2HE TYR 17 -13.168 3.626 1.150 132 HH TYR 17 HH TYR 17 -15.213 2.753 0.825 133 H ASP 18 H ASP 18 -10.731 7.474 -4.802 134 HA ASP 18 HA ASP 18 -7.936 7.602 -5.636 135 HB2 ASP 18 1HB ASP 18 -9.158 8.334 -7.430 136 HB3 ASP 18 2HB ASP 18 -10.448 8.986 -6.423 137 H CYS 19 H CYS 19 -6.568 9.346 -5.113 138 HA CYS 19 HA CYS 19 -7.408 11.273 -3.125 139 HB2 CYS 19 1HB CYS 19 -6.723 9.098 -1.924 140 HB3 CYS 19 2HB CYS 19 -5.081 9.499 -2.417 141 HG CYS 19 HG CYS 19 -6.233 12.198 -1.084 142 H GLN 20 H GLN 20 -6.151 13.094 -3.105 143 HA GLN 20 HA GLN 20 -3.831 13.095 -4.921 144 HB2 GLN 20 1HB GLN 20 -6.024 15.119 -4.557 145 HB3 GLN 20 2HB GLN 20 -4.465 15.577 -5.230 146 HG2 GLN 20 1HG GLN 20 -4.945 13.527 -6.820 147 HG3 GLN 20 2HG GLN 20 -6.615 13.893 -6.389 148 HE21 GLN 20 1HE2 GLN 20 -4.034 14.660 -8.393 149 HE22 GLN 20 2HE2 GLN 20 -4.671 16.106 -9.090 150 H ALA 21 H ALA 21 -2.511 12.649 -3.054 151 HA ALA 21 HA ALA 21 -2.394 14.180 -0.736 152 HB1 ALA 21 3HB ALA 21 -1.193 12.155 -0.766 153 HB2 ALA 21 1HB ALA 21 -0.283 12.623 -2.201 154 HB3 ALA 21 2HB ALA 21 0.028 13.423 -0.661 155 H ASP 22 H ASP 22 -1.427 16.065 -0.162 156 HA ASP 22 HA ASP 22 -0.458 17.748 -2.353 157 HB2 ASP 22 1HB ASP 22 -1.547 18.330 0.389 158 HB3 ASP 22 2HB ASP 22 -0.652 19.554 -0.507 159 H ASN 23 H ASN 23 0.481 16.555 0.837 160 HA ASN 23 HA ASN 23 3.053 17.873 0.717 161 HB2 ASN 23 1HB ASN 23 1.665 16.111 2.708 162 HB3 ASN 23 2HB ASN 23 3.400 16.384 2.838 163 HD21 ASN 23 1HD2 ASN 23 0.327 17.574 3.525 164 HD22 ASN 23 2HD2 ASN 23 0.789 19.137 4.103 165 H ASP 24 H ASP 24 5.021 16.447 1.281 166 HA ASP 24 HA ASP 24 5.346 14.576 -0.860 167 HB2 ASP 24 1HB ASP 24 7.101 16.183 0.185 168 HB3 ASP 24 2HB ASP 24 7.314 14.910 1.385 169 H ASP 25 H ASP 25 5.404 14.302 2.687 170 HA ASP 25 HA ASP 25 5.902 11.631 2.993 171 HB2 ASP 25 1HB ASP 25 5.329 13.539 4.731 172 HB3 ASP 25 2HB ASP 25 3.720 12.826 4.650 173 H GLU 26 H GLU 26 2.763 13.141 2.316 174 HA GLU 26 HA GLU 26 1.330 10.674 2.294 175 HB2 GLU 26 1HB GLU 26 0.680 13.459 1.349 176 HB3 GLU 26 2HB GLU 26 -0.430 12.117 1.108 177 HG2 GLU 26 1HG GLU 26 -0.668 11.790 3.454 178 HG3 GLU 26 2HG GLU 26 0.632 12.929 3.800 179 H LEU 27 H LEU 27 1.252 9.192 0.747 180 HA LEU 27 HA LEU 27 2.583 9.629 -1.766 181 HB2 LEU 27 1HB LEU 27 2.778 7.498 -0.614 182 HB3 LEU 27 2HB LEU 27 1.034 7.263 -0.720 183 HG LEU 27 HG LEU 27 1.293 7.217 -3.218 184 HD11 LEU 27 1HD1 LEU 27 4.189 6.659 -2.797 185 HD12 LEU 27 2HD1 LEU 27 3.646 8.330 -2.954 186 HD13 LEU 27 3HD1 LEU 27 3.338 7.177 -4.253 187 HD21 LEU 27 3HD2 LEU 27 1.617 5.229 -1.329 188 HD22 LEU 27 1HD2 LEU 27 2.978 4.990 -2.425 189 HD23 LEU 27 2HD2 LEU 27 1.329 4.995 -3.054 190 H THR 28 H THR 28 1.696 10.215 -3.635 191 HA THR 28 HA THR 28 -1.169 10.665 -3.758 192 HB THR 28 HB THR 28 0.865 11.239 -5.914 193 HG1 THR 28 1HG THR 28 1.264 12.269 -3.788 194 HG21 THR 28 3HG2 THR 28 -1.995 11.650 -5.614 195 HG22 THR 28 1HG2 THR 28 -0.983 11.787 -7.051 196 HG23 THR 28 2HG2 THR 28 -1.136 13.154 -5.946 197 H PHE 29 H PHE 29 -2.515 9.172 -4.493 198 HA PHE 29 HA PHE 29 -1.720 7.520 -6.771 199 HB2 PHE 29 1HB PHE 29 -2.679 5.498 -5.671 200 HB3 PHE 29 2HB PHE 29 -1.227 6.104 -4.878 201 HD1 PHE 29 2HD PHE 29 -4.917 6.003 -4.661 202 HD2 PHE 29 1HD PHE 29 -1.257 6.749 -2.622 203 HE1 PHE 29 2HE PHE 29 -6.132 6.100 -2.525 204 HE2 PHE 29 1HE PHE 29 -2.465 6.847 -0.482 205 HZ PHE 29 HZ PHE 29 -4.906 6.524 -0.431 206 H ILE 30 H ILE 30 -3.801 6.035 -7.276 207 HA ILE 30 HA ILE 30 -6.253 7.583 -6.948 208 HB ILE 30 HB ILE 30 -6.761 7.499 -9.356 209 HG12 ILE 30 1HG1 ILE 30 -3.882 6.913 -9.935 210 HG13 ILE 30 2HG1 ILE 30 -4.988 5.575 -9.643 211 HG21 ILE 30 1HG2 ILE 30 -5.744 9.499 -8.303 212 HG22 ILE 30 2HG2 ILE 30 -4.159 8.915 -8.807 213 HG23 ILE 30 3HG2 ILE 30 -5.366 9.343 -10.019 214 HD11 ILE 30 3HD1 ILE 30 -5.083 7.620 -11.834 215 HD12 ILE 30 1HD1 ILE 30 -4.913 5.870 -11.969 216 HD13 ILE 30 2HD1 ILE 30 -6.447 6.569 -11.450 217 H GLU 31 H GLU 31 -8.173 6.402 -7.445 218 HA GLU 31 HA GLU 31 -8.351 3.862 -6.504 219 HB2 GLU 31 1HB GLU 31 -10.315 5.230 -6.956 220 HB3 GLU 31 2HB GLU 31 -10.040 5.095 -8.686 221 HG2 GLU 31 1HG GLU 31 -10.220 2.526 -8.196 222 HG3 GLU 31 2HG GLU 31 -11.094 3.083 -6.770 223 H GLY 32 H GLY 32 -7.723 1.903 -7.134 224 HA2 GLY 32 1HA GLY 32 -7.463 0.139 -8.686 225 HA3 GLY 32 2HA GLY 32 -7.451 1.318 -9.989 226 H GLU 33 H GLU 33 -5.502 1.376 -7.042 227 HA GLU 33 HA GLU 33 -3.111 0.911 -8.694 228 HB2 GLU 33 1HB GLU 33 -3.583 3.045 -6.622 229 HB3 GLU 33 2HB GLU 33 -1.963 2.545 -7.086 230 HG2 GLU 33 1HG GLU 33 -4.030 3.577 -9.012 231 HG3 GLU 33 2HG GLU 33 -2.786 4.572 -8.256 232 H VAL 34 H VAL 34 -1.405 -0.184 -7.720 233 HA VAL 34 HA VAL 34 -2.140 -1.634 -5.272 234 HB VAL 34 HB VAL 34 -0.094 -2.317 -7.388 235 HG11 VAL 34 1HG1 VAL 34 0.053 -4.489 -6.180 236 HG12 VAL 34 2HG1 VAL 34 0.687 -3.119 -5.267 237 HG13 VAL 34 3HG1 VAL 34 -0.902 -3.780 -4.879 238 HG21 VAL 34 3HG2 VAL 34 -2.928 -2.961 -7.010 239 HG22 VAL 34 1HG2 VAL 34 -1.933 -3.024 -8.464 240 HG23 VAL 34 2HG2 VAL 34 -1.897 -4.360 -7.313 241 H ILE 35 H ILE 35 -1.078 -1.280 -3.435 242 HA ILE 35 HA ILE 35 1.498 0.150 -3.566 243 HB ILE 35 HB ILE 35 -0.561 0.333 -1.363 244 HG12 ILE 35 1HG1 ILE 35 0.228 2.506 -3.301 245 HG13 ILE 35 2HG1 ILE 35 -1.128 1.424 -3.604 246 HG21 ILE 35 1HG2 ILE 35 0.916 2.288 -0.686 247 HG22 ILE 35 2HG2 ILE 35 1.557 0.672 -0.399 248 HG23 ILE 35 3HG2 ILE 35 2.126 1.613 -1.778 249 HD11 ILE 35 3HD1 ILE 35 -1.563 3.722 -2.532 250 HD12 ILE 35 1HD1 ILE 35 -2.379 2.303 -1.874 251 HD13 ILE 35 2HD1 ILE 35 -0.966 2.968 -1.054 252 H ILE 36 H ILE 36 3.172 -0.955 -2.817 253 HA ILE 36 HA ILE 36 2.775 -3.436 -1.395 254 HB ILE 36 HB ILE 36 5.335 -2.057 -2.214 255 HG12 ILE 36 1HG1 ILE 36 3.832 -2.768 -4.084 256 HG13 ILE 36 2HG1 ILE 36 5.387 -3.592 -4.072 257 HG21 ILE 36 1HG2 ILE 36 5.719 -3.551 -0.353 258 HG22 ILE 36 2HG2 ILE 36 4.845 -4.843 -1.174 259 HG23 ILE 36 3HG2 ILE 36 6.375 -4.260 -1.829 260 HD11 ILE 36 3HD1 ILE 36 3.399 -5.028 -4.567 261 HD12 ILE 36 1HD1 ILE 36 4.420 -5.584 -3.242 262 HD13 ILE 36 2HD1 ILE 36 2.890 -4.775 -2.897 263 H VAL 37 H VAL 37 2.195 -3.167 0.690 264 HA VAL 37 HA VAL 37 3.110 -1.085 2.372 265 HB VAL 37 HB VAL 37 1.965 -3.759 3.190 266 HG11 VAL 37 1HG1 VAL 37 2.416 -1.174 4.644 267 HG12 VAL 37 2HG1 VAL 37 1.184 -2.324 5.168 268 HG13 VAL 37 3HG1 VAL 37 2.881 -2.807 5.118 269 HG21 VAL 37 3HG2 VAL 37 0.260 -1.360 3.189 270 HG22 VAL 37 1HG2 VAL 37 0.720 -1.965 1.598 271 HG23 VAL 37 2HG2 VAL 37 -0.117 -3.021 2.735 272 H THR 38 H THR 38 5.152 -0.845 2.989 273 HA THR 38 HA THR 38 6.743 -3.247 3.596 274 HB THR 38 HB THR 38 8.735 -1.772 3.339 275 HG1 THR 38 1HG THR 38 7.896 0.260 3.671 276 HG21 THR 38 3HG2 THR 38 8.247 -1.342 0.778 277 HG22 THR 38 1HG2 THR 38 6.816 -2.311 1.124 278 HG23 THR 38 2HG2 THR 38 8.423 -2.978 1.412 279 H GLY 39 H GLY 39 5.818 -0.053 4.787 280 HA2 GLY 39 1HA GLY 39 6.707 -0.908 7.469 281 HA3 GLY 39 2HA GLY 39 7.041 0.713 6.876 282 H GLU 40 H GLU 40 4.680 -1.413 8.232 283 HA GLU 40 HA GLU 40 2.406 0.253 7.851 284 HB2 GLU 40 1HB GLU 40 3.012 -2.054 9.682 285 HB3 GLU 40 2HB GLU 40 1.499 -1.166 9.803 286 HG2 GLU 40 1HG GLU 40 0.838 -2.816 8.404 287 HG3 GLU 40 2HG GLU 40 1.420 -1.657 7.210 288 H GLU 41 H GLU 41 2.645 2.317 8.549 289 HA GLU 41 HA GLU 41 4.012 3.186 10.810 290 HB2 GLU 41 1HB GLU 41 3.198 4.635 8.946 291 HB3 GLU 41 2HB GLU 41 1.570 4.485 9.593 292 HG2 GLU 41 1HG GLU 41 2.202 6.478 10.500 293 HG3 GLU 41 2HG GLU 41 2.684 5.373 11.786 294 H ASP 42 H ASP 42 0.558 2.440 10.432 295 HA ASP 42 HA ASP 42 0.379 1.646 13.194 296 HB2 ASP 42 1HB ASP 42 -1.616 3.257 13.540 297 HB3 ASP 42 2HB ASP 42 0.016 3.901 13.699 298 H GLN 43 H GLN 43 -2.227 1.429 13.624 299 HA GLN 43 HA GLN 43 -3.030 -0.578 11.731 300 HB2 GLN 43 1HB GLN 43 -3.375 -0.563 14.297 301 HB3 GLN 43 2HB GLN 43 -4.761 0.464 13.955 302 HG2 GLN 43 1HG GLN 43 -5.323 -1.481 12.256 303 HG3 GLN 43 2HG GLN 43 -4.340 -2.414 13.384 304 HE21 GLN 43 1HE2 GLN 43 -7.006 -2.968 12.983 305 HE22 GLN 43 2HE2 GLN 43 -7.893 -2.584 14.414 306 H GLU 44 H GLU 44 -3.147 2.627 11.489 307 HA GLU 44 HA GLU 44 -5.727 2.602 10.063 308 HB2 GLU 44 1HB GLU 44 -4.426 4.890 11.549 309 HB3 GLU 44 2HB GLU 44 -5.855 5.047 10.537 310 HG2 GLU 44 1HG GLU 44 -7.142 3.689 11.998 311 HG3 GLU 44 2HG GLU 44 -5.713 3.217 12.916 312 H TRP 45 H TRP 45 -2.415 3.806 10.134 313 HA TRP 45 HA TRP 45 -2.630 4.342 7.245 314 HB2 TRP 45 1HB TRP 45 -1.101 5.862 9.357 315 HB3 TRP 45 2HB TRP 45 -0.782 6.042 7.634 316 HD1 TRP 45 HD TRP 45 -4.015 6.158 9.806 317 HE1 TRP 45 1HE TRP 45 -5.395 8.192 9.041 318 HE3 TRP 45 3HE TRP 45 -0.919 7.908 6.133 319 HZ2 TRP 45 2HZ TRP 45 -5.199 10.263 7.134 320 HZ3 TRP 45 3HZ TRP 45 -1.589 9.919 4.884 321 HH2 TRP 45 HH TRP 45 -3.686 11.071 5.376 322 H TRP 46 H TRP 46 -1.088 3.490 5.940 323 HA TRP 46 HA TRP 46 1.098 2.004 7.244 324 HB2 TRP 46 1HB TRP 46 -0.620 1.219 4.891 325 HB3 TRP 46 2HB TRP 46 0.917 0.434 5.247 326 HD1 TRP 46 HD TRP 46 -0.030 0.850 8.559 327 HE1 TRP 46 1HE TRP 46 -1.467 -1.071 9.492 328 HE3 TRP 46 3HE TRP 46 -1.550 -1.240 4.149 329 HZ2 TRP 46 2HZ TRP 46 -3.037 -3.191 8.489 330 HZ3 TRP 46 3HZ TRP 46 -3.017 -3.213 4.223 331 HH2 TRP 46 HH TRP 46 -3.744 -4.168 6.349 332 H ILE 47 H ILE 47 2.901 1.490 5.635 333 HA ILE 47 HA ILE 47 3.325 3.779 3.829 334 HB ILE 47 HB ILE 47 5.549 2.493 5.399 335 HG12 ILE 47 1HG1 ILE 47 4.147 5.071 6.121 336 HG13 ILE 47 2HG1 ILE 47 3.785 3.529 6.891 337 HG21 ILE 47 1HG2 ILE 47 5.521 4.243 3.245 338 HG22 ILE 47 2HG2 ILE 47 5.841 5.269 4.642 339 HG23 ILE 47 3HG2 ILE 47 6.888 3.891 4.302 340 HD11 ILE 47 3HD1 ILE 47 6.477 4.872 6.884 341 HD12 ILE 47 1HD1 ILE 47 5.316 4.912 8.210 342 HD13 ILE 47 2HD1 ILE 47 6.048 3.382 7.723 343 H GLY 48 H GLY 48 4.261 3.358 1.875 344 HA2 GLY 48 1HA GLY 48 5.701 0.994 1.263 345 HA3 GLY 48 2HA GLY 48 4.029 0.826 0.748 346 H HIS 49 H HIS 49 5.537 0.604 -1.286 347 HA HIS 49 HA HIS 49 5.562 3.248 -2.581 348 HB2 HIS 49 1HB HIS 49 7.526 2.493 -3.905 349 HB3 HIS 49 2HB HIS 49 7.866 2.617 -2.182 350 HD1 HIS 49 1HD HIS 49 6.566 -0.198 -4.403 351 HD2 HIS 49 2HD HIS 49 9.392 0.526 -1.445 352 HE1 HIS 49 1HE HIS 49 7.719 -2.400 -4.021 353 HE2 HIS 49 2HE HIS 49 9.366 -1.957 -2.168 354 H ILE 50 H ILE 50 4.849 3.342 -4.691 355 HA ILE 50 HA ILE 50 2.916 1.501 -5.508 356 HB ILE 50 HB ILE 50 4.426 3.539 -7.146 357 HG12 ILE 50 1HG1 ILE 50 3.015 4.342 -5.212 358 HG13 ILE 50 2HG1 ILE 50 2.546 4.973 -6.786 359 HG21 ILE 50 1HG2 ILE 50 2.240 1.650 -7.854 360 HG22 ILE 50 2HG2 ILE 50 2.209 3.271 -8.545 361 HG23 ILE 50 3HG2 ILE 50 3.599 2.222 -8.823 362 HD11 ILE 50 3HD1 ILE 50 1.131 3.075 -5.003 363 HD12 ILE 50 1HD1 ILE 50 0.507 4.432 -5.940 364 HD13 ILE 50 2HD1 ILE 50 0.910 2.915 -6.744 365 H GLU 51 H GLU 51 2.993 -0.372 -6.573 366 HA GLU 51 HA GLU 51 5.265 -1.858 -6.953 367 HB2 GLU 51 1HB GLU 51 2.867 -2.651 -7.062 368 HB3 GLU 51 2HB GLU 51 2.828 -2.073 -8.722 369 HG2 GLU 51 1HG GLU 51 5.003 -3.932 -7.936 370 HG3 GLU 51 2HG GLU 51 3.376 -4.580 -8.133 371 H GLY 52 H GLY 52 6.704 -2.236 -8.601 372 HA2 GLY 52 1HA GLY 52 7.800 -1.932 -10.614 373 HA3 GLY 52 2HA GLY 52 6.397 -1.048 -11.198 374 H GLN 53 H GLN 53 6.241 1.005 -9.362 375 HA GLN 53 HA GLN 53 8.702 2.489 -9.979 376 HB2 GLN 53 1HB GLN 53 5.840 3.334 -9.634 377 HB3 GLN 53 2HB GLN 53 7.146 4.499 -9.468 378 HG2 GLN 53 1HG GLN 53 7.752 4.338 -11.695 379 HG3 GLN 53 2HG GLN 53 6.965 2.773 -11.899 380 HE21 GLN 53 1HE2 GLN 53 6.118 6.095 -10.974 381 HE22 GLN 53 2HE2 GLN 53 4.664 6.165 -11.906 382 HA PRO 54 HA PRO 54 8.980 1.942 -5.433 383 HB2 PRO 54 1HB PRO 54 11.694 1.919 -5.395 384 HB3 PRO 54 2HB PRO 54 10.725 0.479 -5.729 385 HG2 PRO 54 1HG PRO 54 12.112 2.315 -7.644 386 HG3 PRO 54 2HG PRO 54 12.031 0.544 -7.652 387 HD2 PRO 54 1HD PRO 54 10.473 2.079 -9.247 388 HD3 PRO 54 2HD PRO 54 9.931 0.517 -8.601 389 H GLU 55 H GLU 55 10.646 4.157 -7.616 390 HA GLU 55 HA GLU 55 11.773 5.962 -5.904 391 HB2 GLU 55 1HB GLU 55 11.336 7.689 -7.633 392 HB3 GLU 55 2HB GLU 55 11.998 6.200 -8.293 393 HG2 GLU 55 1HG GLU 55 9.572 5.554 -8.779 394 HG3 GLU 55 2HG GLU 55 9.203 7.253 -8.490 395 H ARG 56 H ARG 56 8.401 5.379 -6.442 396 HA ARG 56 HA ARG 56 7.649 7.778 -4.943 397 HB2 ARG 56 1HB ARG 56 6.137 5.836 -6.662 398 HB3 ARG 56 2HB ARG 56 5.284 6.874 -5.529 399 HG2 ARG 56 1HG ARG 56 6.149 8.846 -6.623 400 HG3 ARG 56 2HG ARG 56 7.119 7.847 -7.708 401 HD2 ARG 56 1HD ARG 56 5.314 8.244 -9.051 402 HD3 ARG 56 2HD ARG 56 4.776 6.768 -8.250 403 HE ARG 56 HE ARG 56 3.179 7.986 -7.114 404 HH11 ARG 56 1HH1 ARG 56 5.355 10.126 -8.791 405 HH12 ARG 56 2HH1 ARG 56 4.371 11.530 -8.545 406 HH21 ARG 56 1HH2 ARG 56 1.876 9.829 -6.785 407 HH22 ARG 56 2HH2 ARG 56 2.393 11.360 -7.403 408 H LYS 57 H LYS 57 7.689 7.542 -2.807 409 HA LYS 57 HA LYS 57 6.301 5.249 -1.631 410 HB2 LYS 57 1HB LYS 57 8.130 5.113 0.114 411 HB3 LYS 57 2HB LYS 57 8.554 4.517 -1.486 412 HG2 LYS 57 1HG LYS 57 9.166 7.352 -0.867 413 HG3 LYS 57 2HG LYS 57 10.153 6.104 -0.101 414 HD2 LYS 57 1HD LYS 57 9.652 5.818 -3.005 415 HD3 LYS 57 2HD LYS 57 10.715 7.135 -2.506 416 HE2 LYS 57 1HE LYS 57 12.276 5.497 -2.676 417 HE3 LYS 57 2HE LYS 57 11.758 5.183 -1.020 418 HZ1 LYS 57 3HZ LYS 57 10.054 3.636 -2.193 419 HZ2 LYS 57 1HZ LYS 57 11.642 3.106 -1.947 420 HZ3 LYS 57 2HZ LYS 57 11.165 3.671 -3.469 421 H GLY 58 H GLY 58 4.800 5.981 -0.286 422 HA2 GLY 58 1HA GLY 58 5.400 8.080 1.609 423 HA3 GLY 58 2HA GLY 58 4.221 8.534 0.389 424 H VAL 59 H VAL 59 3.756 8.391 3.202 425 HA VAL 59 HA VAL 59 2.384 5.982 3.861 426 HB VAL 59 HB VAL 59 3.331 7.555 5.553 427 HG11 VAL 59 1HG1 VAL 59 2.784 9.705 5.559 428 HG12 VAL 59 2HG1 VAL 59 1.738 9.429 4.164 429 HG13 VAL 59 3HG1 VAL 59 1.085 9.297 5.797 430 HG21 VAL 59 3HG2 VAL 59 0.513 6.578 5.639 431 HG22 VAL 59 1HG2 VAL 59 1.927 6.019 6.532 432 HG23 VAL 59 2HG2 VAL 59 1.137 7.528 6.987 433 H PHE 60 H PHE 60 0.174 5.583 3.981 434 HA PHE 60 HA PHE 60 -1.664 7.554 2.869 435 HB2 PHE 60 1HB PHE 60 -2.632 5.801 1.335 436 HB3 PHE 60 2HB PHE 60 -1.039 6.394 0.875 437 HD1 PHE 60 2HD PHE 60 0.981 4.986 1.702 438 HD2 PHE 60 1HD PHE 60 -3.012 3.531 1.461 439 HE1 PHE 60 2HE PHE 60 1.828 2.677 1.659 440 HE2 PHE 60 1HE PHE 60 -2.170 1.219 1.419 441 HZ PHE 60 HZ PHE 60 0.252 0.791 1.516 442 HA PRO 61 HA PRO 61 -4.375 5.944 5.929 443 HB2 PRO 61 1HB PRO 61 -6.773 6.588 4.831 444 HB3 PRO 61 2HB PRO 61 -5.687 7.789 5.540 445 HG2 PRO 61 1HG PRO 61 -6.088 7.061 2.665 446 HG3 PRO 61 2HG PRO 61 -5.920 8.666 3.399 447 HD2 PRO 61 1HD PRO 61 -3.873 7.420 2.139 448 HD3 PRO 61 2HD PRO 61 -3.623 8.511 3.516 449 H VAL 62 H VAL 62 -4.568 3.806 6.191 450 HA VAL 62 HA VAL 62 -5.012 1.915 4.193 451 HB VAL 62 HB VAL 62 -5.736 1.613 7.110 452 HG11 VAL 62 1HG1 VAL 62 -6.196 -0.513 6.659 453 HG12 VAL 62 2HG1 VAL 62 -6.071 -0.125 4.942 454 HG13 VAL 62 3HG1 VAL 62 -4.660 -0.720 5.819 455 HG21 VAL 62 3HG2 VAL 62 -3.298 2.356 6.249 456 HG22 VAL 62 1HG2 VAL 62 -3.562 1.324 7.655 457 HG23 VAL 62 2HG2 VAL 62 -3.153 0.604 6.099 458 H SER 63 H SER 63 -7.246 3.895 5.952 459 HA SER 63 HA SER 63 -9.582 2.345 5.532 460 HB2 SER 63 1HB SER 63 -9.528 4.070 7.248 461 HB3 SER 63 2HB SER 63 -9.257 5.315 6.028 462 HG SER 63 HG SER 63 -11.564 3.679 6.291 463 H PHE 64 H PHE 64 -7.629 3.952 3.369 464 HA PHE 64 HA PHE 64 -9.831 4.496 1.503 465 HB2 PHE 64 1HB PHE 64 -7.044 5.545 1.774 466 HB3 PHE 64 2HB PHE 64 -7.799 5.544 0.184 467 HD1 PHE 64 2HD PHE 64 -9.052 6.293 3.619 468 HD2 PHE 64 1HD PHE 64 -8.494 7.653 -0.376 469 HE1 PHE 64 2HE PHE 64 -10.214 8.390 4.173 470 HE2 PHE 64 1HE PHE 64 -9.654 9.751 0.173 471 HZ PHE 64 HZ PHE 64 -10.517 10.122 2.450 472 H VAL 65 H VAL 65 -7.443 2.228 2.217 473 HA VAL 65 HA VAL 65 -7.609 1.110 -0.507 474 HB VAL 65 HB VAL 65 -5.433 0.211 -0.326 475 HG11 VAL 65 1HG1 VAL 65 -5.414 2.993 0.839 476 HG12 VAL 65 2HG1 VAL 65 -4.021 2.187 0.113 477 HG13 VAL 65 3HG1 VAL 65 -5.435 2.569 -0.872 478 HG21 VAL 65 3HG2 VAL 65 -4.194 0.841 1.965 479 HG22 VAL 65 1HG2 VAL 65 -5.841 0.646 2.569 480 HG23 VAL 65 2HG2 VAL 65 -5.049 -0.683 1.721 481 H HIS 66 H HIS 66 -7.355 -1.285 -0.577 482 HA HIS 66 HA HIS 66 -8.332 -2.623 1.844 483 HB2 HIS 66 1HB HIS 66 -10.165 -3.589 0.822 484 HB3 HIS 66 2HB HIS 66 -10.145 -2.010 0.042 485 HD1 HIS 66 1HD HIS 66 -10.602 -5.386 -0.798 486 HD2 HIS 66 2HD HIS 66 -8.435 -2.281 -2.507 487 HE1 HIS 66 1HE HIS 66 -10.220 -6.068 -3.188 488 HE2 HIS 66 2HE HIS 66 -8.834 -4.213 -4.179 489 H ILE 67 H ILE 67 -7.458 -4.587 2.214 490 HA ILE 67 HA ILE 67 -5.114 -5.382 0.967 491 HB ILE 67 HB ILE 67 -7.018 -7.232 2.404 492 HG12 ILE 67 1HG1 ILE 67 -6.675 -5.357 3.848 493 HG13 ILE 67 2HG1 ILE 67 -5.614 -6.640 4.421 494 HG21 ILE 67 1HG2 ILE 67 -4.025 -7.390 2.379 495 HG22 ILE 67 2HG2 ILE 67 -5.200 -8.643 2.773 496 HG23 ILE 67 3HG2 ILE 67 -4.992 -8.124 1.100 497 HD11 ILE 67 3HD1 ILE 67 -4.331 -4.693 4.511 498 HD12 ILE 67 1HD1 ILE 67 -3.792 -5.520 3.050 499 HD13 ILE 67 2HD1 ILE 67 -4.890 -4.145 2.931 500 H LEU 68 H LEU 68 -4.628 -6.516 -0.808 501 HA LEU 68 HA LEU 68 -6.671 -7.183 -2.681 502 HB2 LEU 68 1HB LEU 68 -3.697 -7.585 -2.615 503 HB3 LEU 68 2HB LEU 68 -4.689 -8.218 -3.927 504 HG LEU 68 HG LEU 68 -4.651 -5.299 -3.197 505 HD11 LEU 68 1HD1 LEU 68 -2.695 -4.986 -4.197 506 HD12 LEU 68 2HD1 LEU 68 -3.184 -5.952 -5.589 507 HD13 LEU 68 3HD1 LEU 68 -2.472 -6.736 -4.179 508 HD21 LEU 68 3HD2 LEU 68 -6.513 -5.739 -4.526 509 HD22 LEU 68 1HD2 LEU 68 -5.656 -6.935 -5.500 510 HD23 LEU 68 2HD2 LEU 68 -5.291 -5.219 -5.688 511 H SER 69 H SER 69 -7.092 -9.271 -3.589 512 HA SER 69 HA SER 69 -7.569 -11.268 -1.682 513 HB2 SER 69 1HB SER 69 -7.531 -11.364 -4.703 514 HB3 SER 69 2HB SER 69 -8.036 -12.725 -3.701 515 HG SER 69 HG SER 69 -9.188 -10.182 -3.339 516 H ASP 70 H ASP 70 -6.086 -12.431 -0.662 517 HA ASP 70 HA ASP 70 -3.499 -12.944 -1.850 518 HB2 ASP 70 1HB ASP 70 -4.587 -13.914 0.800 519 HB3 ASP 70 2HB ASP 70 -2.898 -13.884 0.299 520 H SER 71 H SER 71 -3.939 -14.326 -3.574 521 HA SER 71 HA SER 71 -5.220 -16.885 -2.999 522 HB2 SER 71 1HB SER 71 -5.941 -15.788 -5.033 523 HB3 SER 71 2HB SER 71 -4.275 -15.646 -5.593 524 HG SER 71 HG SER 71 -4.490 -17.558 -6.410 525 H GLY 72 H GLY 72 -4.208 -18.894 -3.722 526 HA2 GLY 72 1HA GLY 72 -1.389 -18.918 -2.992 527 HA3 GLY 72 2HA GLY 72 -2.431 -20.321 -3.178 528 HA PRO 73 HA PRO 73 0.402 -19.656 -6.921 529 HB2 PRO 73 1HB PRO 73 2.024 -21.796 -6.523 530 HB3 PRO 73 2HB PRO 73 2.371 -20.193 -5.865 531 HG2 PRO 73 1HG PRO 73 1.152 -22.571 -4.515 532 HG3 PRO 73 2HG PRO 73 2.378 -21.444 -3.906 533 HD2 PRO 73 1HD PRO 73 -0.231 -21.273 -3.208 534 HD3 PRO 73 2HD PRO 73 0.815 -19.845 -3.348 535 H SER 74 H SER 74 0.500 -21.044 -8.779 536 HA SER 74 HA SER 74 -1.821 -22.609 -9.148 537 HB2 SER 74 1HB SER 74 0.607 -22.004 -10.786 538 HB3 SER 74 2HB SER 74 -0.455 -23.316 -11.296 539 HG SER 74 HG SER 74 -1.688 -21.826 -12.089 540 H SER 75 H SER 75 -1.758 -24.882 -10.008 541 HA SER 75 HA SER 75 0.282 -26.505 -8.647 542 HB2 SER 75 1HB SER 75 -2.713 -26.797 -8.515 543 HB3 SER 75 2HB SER 75 -1.641 -28.160 -8.199 544 HG SER 75 HG SER 75 -1.424 -27.379 -6.272 545 H GLY 76 H GLY 76 -0.011 -28.911 -9.394 546 HA2 GLY 76 1HA GLY 76 0.373 -30.344 -11.153 547 HA3 GLY 76 2HA GLY 76 -1.120 -29.670 -11.789 Start of MODEL 15 1 H1 GLY 1 H GLY 1 7.172 -21.584 -9.231 2 HA2 GLY 1 1HA GLY 1 7.599 -21.828 -11.997 3 HA3 GLY 1 2HA GLY 1 6.603 -20.408 -11.719 4 H SER 2 H SER 2 7.471 -18.629 -10.614 5 HA SER 2 HA SER 2 10.255 -18.225 -11.043 6 HB2 SER 2 1HB SER 2 9.887 -16.004 -10.121 7 HB3 SER 2 2HB SER 2 8.560 -16.413 -11.209 8 HG SER 2 HG SER 2 8.389 -16.891 -8.433 9 H SER 3 H SER 3 11.764 -17.469 -9.356 10 HA SER 3 HA SER 3 11.296 -18.802 -6.771 11 HB2 SER 3 1HB SER 3 13.666 -19.452 -6.726 12 HB3 SER 3 2HB SER 3 12.851 -20.136 -8.133 13 HG SER 3 HG SER 3 14.683 -17.997 -8.009 14 H GLY 4 H GLY 4 10.662 -16.767 -5.909 15 HA2 GLY 4 1HA GLY 4 12.581 -14.587 -5.927 16 HA3 GLY 4 2HA GLY 4 10.993 -14.576 -5.173 17 H SER 5 H SER 5 12.063 -13.547 -3.365 18 HA SER 5 HA SER 5 13.681 -15.389 -1.740 19 HB2 SER 5 1HB SER 5 13.381 -12.383 -1.525 20 HB3 SER 5 2HB SER 5 14.405 -13.384 -0.496 21 HG SER 5 HG SER 5 15.204 -14.057 -2.795 22 H SER 6 H SER 6 13.159 -15.782 0.411 23 HA SER 6 HA SER 6 10.518 -14.833 1.299 24 HB2 SER 6 1HB SER 6 11.588 -17.658 1.369 25 HB3 SER 6 2HB SER 6 10.205 -17.130 2.328 26 HG SER 6 HG SER 6 9.770 -18.093 0.182 27 H GLY 7 H GLY 7 10.215 -14.727 3.577 28 HA2 GLY 7 1HA GLY 7 11.705 -15.446 5.667 29 HA3 GLY 7 2HA GLY 7 12.696 -14.160 4.992 30 H ASN 8 H ASN 8 11.059 -12.210 4.308 31 HA ASN 8 HA ASN 8 9.898 -11.405 6.863 32 HB2 ASN 8 1HB ASN 8 10.104 -9.171 6.130 33 HB3 ASN 8 2HB ASN 8 11.557 -9.970 5.538 34 HD21 ASN 8 1HD2 ASN 8 8.787 -8.199 4.725 35 HD22 ASN 8 2HD2 ASN 8 8.969 -8.245 3.007 36 H LYS 9 H LYS 9 7.822 -10.367 6.963 37 HA LYS 9 HA LYS 9 5.883 -11.671 5.248 38 HB2 LYS 9 1HB LYS 9 5.761 -10.105 7.795 39 HB3 LYS 9 2HB LYS 9 4.300 -10.286 6.832 40 HG2 LYS 9 1HG LYS 9 5.959 -12.630 7.710 41 HG3 LYS 9 2HG LYS 9 4.648 -11.964 8.686 42 HD2 LYS 9 1HD LYS 9 3.093 -12.345 6.813 43 HD3 LYS 9 2HD LYS 9 4.412 -13.061 5.883 44 HE2 LYS 9 1HE LYS 9 4.631 -14.854 7.457 45 HE3 LYS 9 2HE LYS 9 3.490 -14.089 8.562 46 HZ1 LYS 9 3HZ LYS 9 1.846 -14.297 6.646 47 HZ2 LYS 9 1HZ LYS 9 2.254 -15.713 7.477 48 HZ3 LYS 9 2HZ LYS 9 2.943 -15.390 5.967 49 H VAL 10 H VAL 10 4.920 -10.770 3.550 50 HA VAL 10 HA VAL 10 5.359 -7.915 3.047 51 HB VAL 10 HB VAL 10 4.838 -8.349 0.741 52 HG11 VAL 10 1HG1 VAL 10 6.923 -9.048 0.443 53 HG12 VAL 10 2HG1 VAL 10 6.975 -9.565 2.130 54 HG13 VAL 10 3HG1 VAL 10 6.459 -10.694 0.876 55 HG21 VAL 10 3HG2 VAL 10 4.327 -10.699 0.003 56 HG22 VAL 10 1HG2 VAL 10 4.052 -11.093 1.699 57 HG23 VAL 10 2HG2 VAL 10 3.037 -9.895 0.897 58 H ARG 11 H ARG 11 3.633 -6.585 2.268 59 HA ARG 11 HA ARG 11 0.916 -7.564 2.705 60 HB2 ARG 11 1HB ARG 11 2.302 -5.508 4.341 61 HB3 ARG 11 2HB ARG 11 0.631 -5.185 3.900 62 HG2 ARG 11 1HG ARG 11 1.280 -7.850 5.030 63 HG3 ARG 11 2HG ARG 11 1.272 -6.460 6.118 64 HD2 ARG 11 1HD ARG 11 -1.016 -5.918 5.138 65 HD3 ARG 11 2HD ARG 11 -0.979 -7.538 4.442 66 HE ARG 11 HE ARG 11 -1.372 -6.840 7.214 67 HH11 ARG 11 1HH1 ARG 11 -0.456 -9.332 4.960 68 HH12 ARG 11 2HH1 ARG 11 -0.838 -10.630 6.042 69 HH21 ARG 11 1HH2 ARG 11 -1.880 -8.542 8.645 70 HH22 ARG 11 2HH2 ARG 11 -1.649 -10.180 8.136 71 H ARG 12 H ARG 12 -0.019 -7.170 0.810 72 HA ARG 12 HA ARG 12 0.533 -4.600 -0.519 73 HB2 ARG 12 1HB ARG 12 -0.153 -7.314 -1.617 74 HB3 ARG 12 2HB ARG 12 -0.394 -5.857 -2.571 75 HG2 ARG 12 1HG ARG 12 2.109 -5.403 -1.929 76 HG3 ARG 12 2HG ARG 12 2.133 -7.151 -1.686 77 HD2 ARG 12 1HD ARG 12 0.919 -6.104 -4.187 78 HD3 ARG 12 2HD ARG 12 2.674 -6.046 -4.034 79 HE ARG 12 HE ARG 12 2.743 -8.347 -4.168 80 HH11 ARG 12 1HH1 ARG 12 -0.548 -7.264 -3.839 81 HH12 ARG 12 2HH1 ARG 12 -1.232 -8.810 -4.214 82 HH21 ARG 12 1HH2 ARG 12 1.855 -10.389 -4.663 83 HH22 ARG 12 2HH2 ARG 12 0.135 -10.588 -4.682 84 H VAL 13 H VAL 13 -1.164 -3.356 -1.267 85 HA VAL 13 HA VAL 13 -3.889 -4.282 -0.700 86 HB VAL 13 HB VAL 13 -4.456 -2.053 0.251 87 HG11 VAL 13 1HG1 VAL 13 -2.709 -4.049 1.538 88 HG12 VAL 13 2HG1 VAL 13 -2.889 -2.513 2.388 89 HG13 VAL 13 3HG1 VAL 13 -4.312 -3.478 1.997 90 HG21 VAL 13 3HG2 VAL 13 -1.520 -1.660 -0.119 91 HG22 VAL 13 1HG2 VAL 13 -2.853 -0.548 -0.434 92 HG23 VAL 13 2HG2 VAL 13 -2.341 -0.863 1.224 93 H LYS 14 H LYS 14 -5.512 -2.587 -1.563 94 HA LYS 14 HA LYS 14 -4.506 -1.437 -4.079 95 HB2 LYS 14 1HB LYS 14 -5.717 -3.596 -4.450 96 HB3 LYS 14 2HB LYS 14 -7.154 -2.858 -3.753 97 HG2 LYS 14 1HG LYS 14 -6.714 -1.040 -5.603 98 HG3 LYS 14 2HG LYS 14 -5.851 -2.370 -6.379 99 HD2 LYS 14 1HD LYS 14 -8.033 -3.709 -5.813 100 HD3 LYS 14 2HD LYS 14 -8.755 -2.100 -5.744 101 HE2 LYS 14 1HE LYS 14 -7.815 -1.671 -8.020 102 HE3 LYS 14 2HE LYS 14 -7.316 -3.361 -8.073 103 HZ1 LYS 14 3HZ LYS 14 -9.429 -4.073 -8.350 104 HZ2 LYS 14 1HZ LYS 14 -9.631 -2.531 -9.019 105 HZ3 LYS 14 2HZ LYS 14 -10.107 -2.830 -7.423 106 H THR 15 H THR 15 -5.203 0.572 -4.557 107 HA THR 15 HA THR 15 -6.604 2.045 -2.537 108 HB THR 15 HB THR 15 -6.342 3.979 -4.050 109 HG1 THR 15 1HG THR 15 -6.370 3.316 -6.096 110 HG21 THR 15 3HG2 THR 15 -3.947 2.241 -3.518 111 HG22 THR 15 1HG2 THR 15 -4.508 3.644 -2.610 112 HG23 THR 15 2HG2 THR 15 -3.795 3.856 -4.209 113 H ILE 16 H ILE 16 -8.723 1.542 -2.343 114 HA ILE 16 HA ILE 16 -10.408 1.077 -4.624 115 HB ILE 16 HB ILE 16 -12.256 1.105 -2.885 116 HG12 ILE 16 1HG1 ILE 16 -9.960 1.076 -0.925 117 HG13 ILE 16 2HG1 ILE 16 -10.884 2.531 -1.286 118 HG21 ILE 16 1HG2 ILE 16 -10.122 -0.798 -3.311 119 HG22 ILE 16 2HG2 ILE 16 -10.834 -0.967 -1.708 120 HG23 ILE 16 3HG2 ILE 16 -11.856 -1.069 -3.141 121 HD11 ILE 16 3HD1 ILE 16 -12.687 1.834 -0.122 122 HD12 ILE 16 1HD1 ILE 16 -12.428 0.135 -0.519 123 HD13 ILE 16 2HD1 ILE 16 -11.460 0.906 0.739 124 H TYR 17 H TYR 17 -9.244 3.836 -3.128 125 HA TYR 17 HA TYR 17 -11.332 5.457 -4.405 126 HB2 TYR 17 1HB TYR 17 -10.235 5.861 -1.617 127 HB3 TYR 17 2HB TYR 17 -11.205 7.051 -2.477 128 HD1 TYR 17 1HD TYR 17 -13.426 5.810 -3.575 129 HD2 TYR 17 2HD TYR 17 -11.397 4.716 0.001 130 HE1 TYR 17 1HE TYR 17 -15.480 4.743 -2.745 131 HE2 TYR 17 2HE TYR 17 -13.445 3.645 0.842 132 HH TYR 17 HH TYR 17 -15.694 3.468 0.525 133 H ASP 18 H ASP 18 -10.655 7.616 -4.958 134 HA ASP 18 HA ASP 18 -7.873 7.686 -5.764 135 HB2 ASP 18 1HB ASP 18 -8.664 9.926 -6.801 136 HB3 ASP 18 2HB ASP 18 -9.276 8.421 -7.481 137 H CYS 19 H CYS 19 -6.311 8.683 -4.686 138 HA CYS 19 HA CYS 19 -7.046 10.816 -2.792 139 HB2 CYS 19 1HB CYS 19 -6.272 8.452 -1.893 140 HB3 CYS 19 2HB CYS 19 -4.671 9.081 -2.260 141 HG CYS 19 HG CYS 19 -4.412 10.330 -0.042 142 H GLN 20 H GLN 20 -6.169 12.691 -3.329 143 HA GLN 20 HA GLN 20 -3.706 12.691 -4.936 144 HB2 GLN 20 1HB GLN 20 -5.706 13.746 -5.961 145 HB3 GLN 20 2HB GLN 20 -5.755 14.892 -4.628 146 HG2 GLN 20 1HG GLN 20 -3.933 16.050 -5.369 147 HG3 GLN 20 2HG GLN 20 -3.242 14.654 -6.194 148 HE21 GLN 20 1HE2 GLN 20 -2.936 15.602 -8.152 149 HE22 GLN 20 2HE2 GLN 20 -4.223 16.138 -9.171 150 H ALA 21 H ALA 21 -2.236 12.550 -3.233 151 HA ALA 21 HA ALA 21 -2.278 14.113 -0.904 152 HB1 ALA 21 3HB ALA 21 0.074 12.886 -2.337 153 HB2 ALA 21 1HB ALA 21 0.104 13.526 -0.694 154 HB3 ALA 21 2HB ALA 21 -0.903 12.129 -1.079 155 H ASP 22 H ASP 22 -1.238 16.018 -0.333 156 HA ASP 22 HA ASP 22 -0.380 17.697 -2.599 157 HB2 ASP 22 1HB ASP 22 -2.080 18.262 -0.223 158 HB3 ASP 22 2HB ASP 22 -1.011 19.549 -0.776 159 H ASN 23 H ASN 23 1.233 15.891 -0.886 160 HA ASN 23 HA ASN 23 3.305 17.815 -0.228 161 HB2 ASN 23 1HB ASN 23 2.138 15.919 1.818 162 HB3 ASN 23 2HB ASN 23 3.682 16.742 2.018 163 HD21 ASN 23 1HD2 ASN 23 0.246 17.060 2.011 164 HD22 ASN 23 2HD2 ASN 23 0.182 18.676 2.621 165 H ASP 24 H ASP 24 5.304 16.510 0.635 166 HA ASP 24 HA ASP 24 5.853 14.511 -1.375 167 HB2 ASP 24 1HB ASP 24 7.531 15.836 0.750 168 HB3 ASP 24 2HB ASP 24 8.150 14.524 -0.248 169 H ASP 25 H ASP 25 5.588 14.647 2.148 170 HA ASP 25 HA ASP 25 6.397 12.042 2.735 171 HB2 ASP 25 1HB ASP 25 4.215 13.485 4.234 172 HB3 ASP 25 2HB ASP 25 5.399 12.341 4.863 173 H GLU 26 H GLU 26 3.165 13.306 1.985 174 HA GLU 26 HA GLU 26 1.888 10.762 2.221 175 HB2 GLU 26 1HB GLU 26 1.086 13.485 1.321 176 HB3 GLU 26 2HB GLU 26 0.097 12.128 0.802 177 HG2 GLU 26 1HG GLU 26 0.802 12.338 3.679 178 HG3 GLU 26 2HG GLU 26 -0.409 13.440 3.024 179 H LEU 27 H LEU 27 1.504 9.239 0.714 180 HA LEU 27 HA LEU 27 2.923 9.426 -1.792 181 HB2 LEU 27 1HB LEU 27 2.977 7.355 -0.541 182 HB3 LEU 27 2HB LEU 27 1.220 7.240 -0.607 183 HG LEU 27 HG LEU 27 1.385 6.975 -3.073 184 HD11 LEU 27 1HD1 LEU 27 3.829 8.032 -2.903 185 HD12 LEU 27 2HD1 LEU 27 3.337 6.966 -4.218 186 HD13 LEU 27 3HD1 LEU 27 4.263 6.322 -2.861 187 HD21 LEU 27 3HD2 LEU 27 2.015 5.110 -1.027 188 HD22 LEU 27 1HD2 LEU 27 3.017 4.743 -2.433 189 HD23 LEU 27 2HD2 LEU 27 1.262 4.814 -2.595 190 H THR 28 H THR 28 2.095 9.902 -3.725 191 HA THR 28 HA THR 28 -0.737 10.547 -3.904 192 HB THR 28 HB THR 28 1.342 10.876 -6.069 193 HG1 THR 28 1HG THR 28 0.547 13.011 -4.429 194 HG21 THR 28 3HG2 THR 28 -1.479 11.447 -5.838 195 HG22 THR 28 1HG2 THR 28 -0.427 11.552 -7.249 196 HG23 THR 28 2HG2 THR 28 -0.560 12.921 -6.145 197 H PHE 29 H PHE 29 -2.134 9.036 -4.501 198 HA PHE 29 HA PHE 29 -1.406 7.220 -6.685 199 HB2 PHE 29 1HB PHE 29 -2.585 5.364 -5.473 200 HB3 PHE 29 2HB PHE 29 -1.081 5.881 -4.718 201 HD1 PHE 29 1HD PHE 29 -1.109 7.143 -2.628 202 HD2 PHE 29 2HD PHE 29 -4.696 5.687 -4.395 203 HE1 PHE 29 1HE PHE 29 -2.297 7.504 -0.504 204 HE2 PHE 29 2HE PHE 29 -5.891 6.045 -2.275 205 HZ PHE 29 HZ PHE 29 -4.691 6.955 -0.326 206 H ILE 30 H ILE 30 -3.592 5.841 -7.128 207 HA ILE 30 HA ILE 30 -5.952 7.523 -6.961 208 HB ILE 30 HB ILE 30 -6.364 7.439 -9.401 209 HG12 ILE 30 1HG1 ILE 30 -3.468 6.840 -9.847 210 HG13 ILE 30 2HG1 ILE 30 -4.581 5.501 -9.591 211 HG21 ILE 30 1HG2 ILE 30 -4.801 9.228 -10.002 212 HG22 ILE 30 2HG2 ILE 30 -5.461 9.453 -8.383 213 HG23 ILE 30 3HG2 ILE 30 -3.821 8.840 -8.589 214 HD11 ILE 30 3HD1 ILE 30 -5.886 6.163 -11.496 215 HD12 ILE 30 1HD1 ILE 30 -4.902 7.611 -11.710 216 HD13 ILE 30 2HD1 ILE 30 -4.193 6.016 -11.967 217 H GLU 31 H GLU 31 -7.901 6.431 -7.638 218 HA GLU 31 HA GLU 31 -8.228 3.893 -6.690 219 HB2 GLU 31 1HB GLU 31 -10.073 5.437 -7.278 220 HB3 GLU 31 2HB GLU 31 -9.780 5.109 -8.980 221 HG2 GLU 31 1HG GLU 31 -10.136 2.621 -8.237 222 HG3 GLU 31 2HG GLU 31 -10.995 3.374 -6.894 223 H GLY 32 H GLY 32 -7.518 1.958 -7.281 224 HA2 GLY 32 1HA GLY 32 -7.325 0.180 -8.859 225 HA3 GLY 32 2HA GLY 32 -7.181 1.375 -10.140 226 H GLU 33 H GLU 33 -5.388 1.520 -7.129 227 HA GLU 33 HA GLU 33 -2.941 0.813 -8.609 228 HB2 GLU 33 1HB GLU 33 -3.407 3.090 -6.691 229 HB3 GLU 33 2HB GLU 33 -1.794 2.497 -7.064 230 HG2 GLU 33 1HG GLU 33 -3.757 3.543 -9.092 231 HG3 GLU 33 2HG GLU 33 -2.435 4.471 -8.386 232 H VAL 34 H VAL 34 -1.269 -0.170 -7.401 233 HA VAL 34 HA VAL 34 -2.207 -1.420 -4.904 234 HB VAL 34 HB VAL 34 -0.161 -2.445 -6.878 235 HG11 VAL 34 1HG1 VAL 34 -0.138 -2.958 -4.241 236 HG12 VAL 34 2HG1 VAL 34 -1.268 -4.202 -4.780 237 HG13 VAL 34 3HG1 VAL 34 0.357 -4.130 -5.463 238 HG21 VAL 34 3HG2 VAL 34 -1.835 -3.428 -7.959 239 HG22 VAL 34 1HG2 VAL 34 -2.403 -4.175 -6.466 240 HG23 VAL 34 2HG2 VAL 34 -2.975 -2.570 -6.924 241 H ILE 35 H ILE 35 -1.028 -1.230 -3.081 242 HA ILE 35 HA ILE 35 1.536 0.212 -3.276 243 HB ILE 35 HB ILE 35 -0.480 0.308 -1.029 244 HG12 ILE 35 1HG1 ILE 35 0.404 2.621 -2.735 245 HG13 ILE 35 2HG1 ILE 35 -0.908 1.567 -3.255 246 HG21 ILE 35 1HG2 ILE 35 1.218 0.921 0.264 247 HG22 ILE 35 2HG2 ILE 35 2.332 0.895 -1.100 248 HG23 ILE 35 3HG2 ILE 35 1.405 2.354 -0.746 249 HD11 ILE 35 3HD1 ILE 35 -0.873 3.669 -1.241 250 HD12 ILE 35 1HD1 ILE 35 -2.221 2.980 -2.144 251 HD13 ILE 35 2HD1 ILE 35 -1.629 2.173 -0.692 252 H ILE 36 H ILE 36 3.277 -0.793 -2.511 253 HA ILE 36 HA ILE 36 2.978 -3.378 -1.236 254 HB ILE 36 HB ILE 36 5.385 -1.851 -2.212 255 HG12 ILE 36 1HG1 ILE 36 5.430 -3.352 -3.988 256 HG13 ILE 36 2HG1 ILE 36 4.530 -4.580 -3.105 257 HG21 ILE 36 1HG2 ILE 36 6.704 -3.869 -1.652 258 HG22 ILE 36 2HG2 ILE 36 6.080 -3.032 -0.232 259 HG23 ILE 36 3HG2 ILE 36 5.302 -4.512 -0.797 260 HD11 ILE 36 3HD1 ILE 36 3.414 -2.029 -4.244 261 HD12 ILE 36 1HD1 ILE 36 3.191 -3.655 -4.889 262 HD13 ILE 36 2HD1 ILE 36 2.502 -3.224 -3.322 263 H VAL 37 H VAL 37 2.319 -3.087 0.851 264 HA VAL 37 HA VAL 37 3.328 -1.106 2.601 265 HB VAL 37 HB VAL 37 2.090 -3.736 3.411 266 HG11 VAL 37 1HG1 VAL 37 1.586 -1.233 4.892 267 HG12 VAL 37 2HG1 VAL 37 1.837 -2.876 5.487 268 HG13 VAL 37 3HG1 VAL 37 3.219 -1.891 5.004 269 HG21 VAL 37 3HG2 VAL 37 0.038 -3.031 2.814 270 HG22 VAL 37 1HG2 VAL 37 0.376 -1.357 3.255 271 HG23 VAL 37 2HG2 VAL 37 0.917 -1.985 1.698 272 H THR 38 H THR 38 5.323 -0.990 3.371 273 HA THR 38 HA THR 38 6.708 -3.495 4.078 274 HB THR 38 HB THR 38 8.853 -2.354 3.521 275 HG1 THR 38 1HG THR 38 7.044 -0.333 2.750 276 HG21 THR 38 3HG2 THR 38 6.891 -3.403 1.726 277 HG22 THR 38 1HG2 THR 38 8.648 -3.503 1.624 278 HG23 THR 38 2HG2 THR 38 7.800 -2.134 0.907 279 H GLY 39 H GLY 39 5.934 -0.204 4.902 280 HA2 GLY 39 1HA GLY 39 6.950 -0.701 7.611 281 HA3 GLY 39 2HA GLY 39 7.478 0.749 6.773 282 H GLU 40 H GLU 40 4.513 -0.975 7.720 283 HA GLU 40 HA GLU 40 2.762 1.188 7.422 284 HB2 GLU 40 1HB GLU 40 1.419 -0.121 9.231 285 HB3 GLU 40 2HB GLU 40 1.679 -0.847 7.652 286 HG2 GLU 40 1HG GLU 40 3.364 -2.279 8.482 287 HG3 GLU 40 2HG GLU 40 3.460 -1.398 10.005 288 H GLU 41 H GLU 41 2.512 3.008 8.532 289 HA GLU 41 HA GLU 41 4.127 3.543 10.840 290 HB2 GLU 41 1HB GLU 41 3.260 5.139 8.909 291 HB3 GLU 41 2HB GLU 41 1.914 5.368 10.017 292 HG2 GLU 41 1HG GLU 41 3.283 7.077 10.651 293 HG3 GLU 41 2HG GLU 41 3.810 5.810 11.759 294 H ASP 42 H ASP 42 0.670 3.095 10.227 295 HA ASP 42 HA ASP 42 0.289 2.340 13.006 296 HB2 ASP 42 1HB ASP 42 -1.364 4.555 11.774 297 HB3 ASP 42 2HB ASP 42 -1.542 3.891 13.396 298 H GLN 43 H GLN 43 -2.160 1.770 13.314 299 HA GLN 43 HA GLN 43 -2.748 -0.281 11.447 300 HB2 GLN 43 1HB GLN 43 -4.825 -0.576 12.783 301 HB3 GLN 43 2HB GLN 43 -3.363 -0.561 13.760 302 HG2 GLN 43 1HG GLN 43 -3.917 1.982 14.009 303 HG3 GLN 43 2HG GLN 43 -5.543 1.456 13.577 304 HE21 GLN 43 1HE2 GLN 43 -4.012 2.383 16.113 305 HE22 GLN 43 2HE2 GLN 43 -4.575 1.284 17.319 306 H GLU 44 H GLU 44 -3.657 3.039 11.698 307 HA GLU 44 HA GLU 44 -5.856 2.712 9.801 308 HB2 GLU 44 1HB GLU 44 -4.901 5.275 11.075 309 HB3 GLU 44 2HB GLU 44 -6.446 4.978 10.291 310 HG2 GLU 44 1HG GLU 44 -7.093 4.831 12.457 311 HG3 GLU 44 2HG GLU 44 -6.657 3.146 12.175 312 H TRP 45 H TRP 45 -2.585 3.866 10.002 313 HA TRP 45 HA TRP 45 -2.713 4.605 7.152 314 HB2 TRP 45 1HB TRP 45 -1.075 5.874 9.353 315 HB3 TRP 45 2HB TRP 45 -0.839 6.202 7.638 316 HD1 TRP 45 HD TRP 45 -3.568 6.592 10.355 317 HE1 TRP 45 1HE TRP 45 -5.044 8.602 9.718 318 HE3 TRP 45 3HE TRP 45 -1.496 7.715 5.819 319 HZ2 TRP 45 2HZ TRP 45 -5.297 10.423 7.576 320 HZ3 TRP 45 3HZ TRP 45 -2.414 9.605 4.538 321 HH2 TRP 45 HH TRP 45 -4.275 10.929 5.400 322 H TRP 46 H TRP 46 -1.252 3.688 5.821 323 HA TRP 46 HA TRP 46 0.886 2.076 7.050 324 HB2 TRP 46 1HB TRP 46 -1.096 1.372 4.931 325 HB3 TRP 46 2HB TRP 46 0.521 0.683 4.826 326 HD1 TRP 46 HD TRP 46 -0.035 0.933 8.373 327 HE1 TRP 46 1HE TRP 46 -0.932 -1.267 9.366 328 HE3 TRP 46 3HE TRP 46 -1.461 -1.389 4.048 329 HZ2 TRP 46 2HZ TRP 46 -2.090 -3.668 8.438 330 HZ3 TRP 46 3HZ TRP 46 -2.454 -3.635 4.186 331 HH2 TRP 46 HH TRP 46 -2.760 -4.750 6.337 332 H ILE 47 H ILE 47 2.646 1.530 5.427 333 HA ILE 47 HA ILE 47 3.088 3.772 3.570 334 HB ILE 47 HB ILE 47 5.291 2.547 5.219 335 HG12 ILE 47 1HG1 ILE 47 3.815 5.132 5.762 336 HG13 ILE 47 2HG1 ILE 47 3.609 3.647 6.685 337 HG21 ILE 47 1HG2 ILE 47 5.137 5.124 3.661 338 HG22 ILE 47 2HG2 ILE 47 6.541 4.516 4.535 339 HG23 ILE 47 3HG2 ILE 47 5.938 3.647 3.125 340 HD11 ILE 47 3HD1 ILE 47 5.123 4.610 8.030 341 HD12 ILE 47 1HD1 ILE 47 6.272 3.947 6.868 342 HD13 ILE 47 2HD1 ILE 47 5.773 5.634 6.749 343 H GLY 48 H GLY 48 3.832 3.233 1.597 344 HA2 GLY 48 1HA GLY 48 5.337 0.851 1.090 345 HA3 GLY 48 2HA GLY 48 3.665 0.691 0.570 346 H HIS 49 H HIS 49 5.758 0.508 -1.226 347 HA HIS 49 HA HIS 49 5.728 3.080 -2.646 348 HB2 HIS 49 1HB HIS 49 7.565 2.003 -4.026 349 HB3 HIS 49 2HB HIS 49 7.962 2.329 -2.342 350 HD1 HIS 49 1HD HIS 49 6.768 -0.592 -4.464 351 HD2 HIS 49 2HD HIS 49 8.977 0.186 -1.032 352 HE1 HIS 49 1HE HIS 49 7.673 -2.820 -3.727 353 HE2 HIS 49 2HE HIS 49 8.935 -2.337 -1.602 354 H ILE 50 H ILE 50 4.834 3.289 -4.635 355 HA ILE 50 HA ILE 50 2.765 1.703 -5.476 356 HB ILE 50 HB ILE 50 4.573 3.476 -7.111 357 HG12 ILE 50 1HG1 ILE 50 3.337 4.767 -5.559 358 HG13 ILE 50 2HG1 ILE 50 2.450 4.899 -7.075 359 HG21 ILE 50 1HG2 ILE 50 2.645 1.559 -8.025 360 HG22 ILE 50 2HG2 ILE 50 2.110 3.191 -8.417 361 HG23 ILE 50 3HG2 ILE 50 3.689 2.627 -8.962 362 HD11 ILE 50 3HD1 ILE 50 1.696 3.597 -4.539 363 HD12 ILE 50 1HD1 ILE 50 0.710 4.479 -5.704 364 HD13 ILE 50 2HD1 ILE 50 1.175 2.809 -6.028 365 H GLU 51 H GLU 51 2.771 -0.384 -5.971 366 HA GLU 51 HA GLU 51 4.748 -2.111 -6.445 367 HB2 GLU 51 1HB GLU 51 2.252 -2.576 -6.455 368 HB3 GLU 51 2HB GLU 51 2.271 -2.169 -8.165 369 HG2 GLU 51 1HG GLU 51 4.019 -4.306 -6.987 370 HG3 GLU 51 2HG GLU 51 2.392 -4.620 -7.587 371 H GLY 52 H GLY 52 6.426 -2.219 -7.774 372 HA2 GLY 52 1HA GLY 52 7.426 -2.382 -9.911 373 HA3 GLY 52 2HA GLY 52 6.091 -1.452 -10.578 374 H GLN 53 H GLN 53 6.116 0.728 -8.824 375 HA GLN 53 HA GLN 53 8.633 2.009 -9.636 376 HB2 GLN 53 1HB GLN 53 5.831 2.971 -9.335 377 HB3 GLN 53 2HB GLN 53 7.128 4.112 -9.008 378 HG2 GLN 53 1HG GLN 53 6.600 4.444 -11.251 379 HG3 GLN 53 2HG GLN 53 8.061 3.458 -11.281 380 HE21 GLN 53 1HE2 GLN 53 4.970 3.801 -12.459 381 HE22 GLN 53 2HE2 GLN 53 4.747 2.213 -13.102 382 HA PRO 54 HA PRO 54 9.219 1.682 -5.118 383 HB2 PRO 54 1HB PRO 54 11.930 1.678 -5.265 384 HB3 PRO 54 2HB PRO 54 10.953 0.221 -5.488 385 HG2 PRO 54 1HG PRO 54 12.190 2.006 -7.549 386 HG3 PRO 54 2HG PRO 54 12.124 0.234 -7.497 387 HD2 PRO 54 1HD PRO 54 10.448 1.710 -9.028 388 HD3 PRO 54 2HD PRO 54 9.964 0.166 -8.298 389 H GLU 55 H GLU 55 10.585 3.872 -7.498 390 HA GLU 55 HA GLU 55 11.830 5.733 -5.873 391 HB2 GLU 55 1HB GLU 55 11.649 7.270 -7.667 392 HB3 GLU 55 2HB GLU 55 11.770 5.679 -8.404 393 HG2 GLU 55 1HG GLU 55 9.060 6.761 -7.878 394 HG3 GLU 55 2HG GLU 55 9.995 7.465 -9.196 395 H ARG 56 H ARG 56 8.434 5.174 -6.407 396 HA ARG 56 HA ARG 56 7.750 7.563 -4.846 397 HB2 ARG 56 1HB ARG 56 5.350 6.657 -5.585 398 HB3 ARG 56 2HB ARG 56 6.330 7.684 -6.621 399 HG2 ARG 56 1HG ARG 56 7.185 5.672 -7.759 400 HG3 ARG 56 2HG ARG 56 6.119 4.684 -6.760 401 HD2 ARG 56 1HD ARG 56 5.409 5.496 -9.174 402 HD3 ARG 56 2HD ARG 56 4.240 5.353 -7.863 403 HE ARG 56 HE ARG 56 3.968 7.619 -7.918 404 HH11 ARG 56 1HH1 ARG 56 6.933 6.802 -9.547 405 HH12 ARG 56 2HH1 ARG 56 7.224 8.416 -10.108 406 HH21 ARG 56 1HH2 ARG 56 4.337 9.748 -8.651 407 HH22 ARG 56 2HH2 ARG 56 5.746 10.090 -9.597 408 H LYS 57 H LYS 57 7.761 7.162 -2.726 409 HA LYS 57 HA LYS 57 6.109 4.971 -1.726 410 HB2 LYS 57 1HB LYS 57 7.770 4.126 -0.238 411 HB3 LYS 57 2HB LYS 57 8.499 4.186 -1.837 412 HG2 LYS 57 1HG LYS 57 9.375 6.506 -1.062 413 HG3 LYS 57 2HG LYS 57 9.043 5.884 0.556 414 HD2 LYS 57 1HD LYS 57 10.683 4.292 0.429 415 HD3 LYS 57 2HD LYS 57 10.561 4.152 -1.327 416 HE2 LYS 57 1HE LYS 57 12.591 5.219 -1.075 417 HE3 LYS 57 2HE LYS 57 11.495 6.580 -1.316 418 HZ1 LYS 57 3HZ LYS 57 11.846 7.324 0.749 419 HZ2 LYS 57 1HZ LYS 57 13.234 6.359 0.719 420 HZ3 LYS 57 2HZ LYS 57 11.818 5.779 1.438 421 H GLY 58 H GLY 58 4.760 5.732 -0.239 422 HA2 GLY 58 1HA GLY 58 5.647 7.622 1.761 423 HA3 GLY 58 2HA GLY 58 4.481 8.279 0.621 424 H VAL 59 H VAL 59 3.775 8.293 3.202 425 HA VAL 59 HA VAL 59 2.399 5.925 4.023 426 HB VAL 59 HB VAL 59 3.272 7.738 5.565 427 HG11 VAL 59 1HG1 VAL 59 1.789 9.415 4.005 428 HG12 VAL 59 2HG1 VAL 59 0.745 9.206 5.412 429 HG13 VAL 59 3HG1 VAL 59 2.393 9.799 5.617 430 HG21 VAL 59 3HG2 VAL 59 1.330 5.914 5.917 431 HG22 VAL 59 1HG2 VAL 59 1.879 7.005 7.188 432 HG23 VAL 59 2HG2 VAL 59 0.425 7.387 6.267 433 H PHE 60 H PHE 60 0.105 5.704 4.288 434 HA PHE 60 HA PHE 60 -1.667 7.500 2.899 435 HB2 PHE 60 1HB PHE 60 -2.512 5.792 1.316 436 HB3 PHE 60 2HB PHE 60 -0.834 6.226 1.002 437 HD1 PHE 60 2HD PHE 60 0.966 4.685 2.028 438 HD2 PHE 60 1HD PHE 60 -3.111 3.571 1.526 439 HE1 PHE 60 2HE PHE 60 1.603 2.312 2.146 440 HE2 PHE 60 1HE PHE 60 -2.481 1.195 1.645 441 HZ PHE 60 HZ PHE 60 -0.121 0.564 1.954 442 HA PRO 61 HA PRO 61 -4.474 5.922 5.889 443 HB2 PRO 61 1HB PRO 61 -6.833 6.509 4.681 444 HB3 PRO 61 2HB PRO 61 -5.793 7.740 5.407 445 HG2 PRO 61 1HG PRO 61 -6.067 6.944 2.534 446 HG3 PRO 61 2HG PRO 61 -5.950 8.568 3.239 447 HD2 PRO 61 1HD PRO 61 -3.837 7.322 2.091 448 HD3 PRO 61 2HD PRO 61 -3.658 8.446 3.453 449 H VAL 62 H VAL 62 -4.481 3.751 6.103 450 HA VAL 62 HA VAL 62 -4.897 1.844 4.140 451 HB VAL 62 HB VAL 62 -5.637 1.548 7.053 452 HG11 VAL 62 1HG1 VAL 62 -4.641 -0.844 6.229 453 HG12 VAL 62 2HG1 VAL 62 -6.357 -0.442 6.302 454 HG13 VAL 62 3HG1 VAL 62 -5.479 -0.295 4.779 455 HG21 VAL 62 3HG2 VAL 62 -3.043 1.778 5.696 456 HG22 VAL 62 1HG2 VAL 62 -3.470 2.046 7.386 457 HG23 VAL 62 2HG2 VAL 62 -3.186 0.408 6.798 458 H SER 63 H SER 63 -7.207 3.753 5.890 459 HA SER 63 HA SER 63 -9.497 2.160 5.497 460 HB2 SER 63 1HB SER 63 -8.981 5.012 6.181 461 HB3 SER 63 2HB SER 63 -10.597 4.591 5.612 462 HG SER 63 HG SER 63 -9.441 2.973 7.570 463 H PHE 64 H PHE 64 -7.732 4.267 3.398 464 HA PHE 64 HA PHE 64 -9.871 4.494 1.461 465 HB2 PHE 64 1HB PHE 64 -7.030 5.464 1.586 466 HB3 PHE 64 2HB PHE 64 -7.935 5.527 0.076 467 HD1 PHE 64 2HD PHE 64 -9.054 6.155 3.567 468 HD2 PHE 64 1HD PHE 64 -8.360 7.764 -0.311 469 HE1 PHE 64 2HE PHE 64 -10.071 8.281 4.272 470 HE2 PHE 64 1HE PHE 64 -9.376 9.894 0.387 471 HZ PHE 64 HZ PHE 64 -10.235 10.154 2.681 472 H VAL 65 H VAL 65 -7.387 2.291 2.195 473 HA VAL 65 HA VAL 65 -7.620 1.061 -0.475 474 HB VAL 65 HB VAL 65 -5.454 0.100 -0.219 475 HG11 VAL 65 1HG1 VAL 65 -4.038 2.161 0.183 476 HG12 VAL 65 2HG1 VAL 65 -5.300 2.308 -1.043 477 HG13 VAL 65 3HG1 VAL 65 -5.540 3.003 0.561 478 HG21 VAL 65 3HG2 VAL 65 -5.983 0.325 2.539 479 HG22 VAL 65 1HG2 VAL 65 -4.594 -0.430 1.758 480 HG23 VAL 65 2HG2 VAL 65 -4.529 1.270 2.222 481 H HIS 66 H HIS 66 -7.638 -1.269 -0.559 482 HA HIS 66 HA HIS 66 -8.572 -2.538 1.928 483 HB2 HIS 66 1HB HIS 66 -10.350 -3.600 0.845 484 HB3 HIS 66 2HB HIS 66 -10.366 -1.983 0.145 485 HD1 HIS 66 1HD HIS 66 -10.926 -5.207 -0.932 486 HD2 HIS 66 2HD HIS 66 -8.421 -2.201 -2.329 487 HE1 HIS 66 1HE HIS 66 -10.451 -5.788 -3.333 488 HE2 HIS 66 2HE HIS 66 -8.866 -4.002 -4.132 489 H ILE 67 H ILE 67 -7.354 -4.203 2.502 490 HA ILE 67 HA ILE 67 -5.181 -5.163 1.075 491 HB ILE 67 HB ILE 67 -6.766 -6.650 3.173 492 HG12 ILE 67 1HG1 ILE 67 -4.322 -4.893 3.476 493 HG13 ILE 67 2HG1 ILE 67 -5.963 -4.401 3.876 494 HG21 ILE 67 1HG2 ILE 67 -3.851 -7.045 2.739 495 HG22 ILE 67 2HG2 ILE 67 -5.065 -8.168 3.348 496 HG23 ILE 67 3HG2 ILE 67 -4.978 -7.816 1.623 497 HD11 ILE 67 3HD1 ILE 67 -6.081 -6.099 5.594 498 HD12 ILE 67 1HD1 ILE 67 -4.473 -6.677 5.161 499 HD13 ILE 67 2HD1 ILE 67 -4.676 -5.064 5.847 500 H LEU 68 H LEU 68 -5.022 -6.385 -0.678 501 HA LEU 68 HA LEU 68 -7.309 -7.642 -1.844 502 HB2 LEU 68 1HB LEU 68 -4.399 -7.862 -2.603 503 HB3 LEU 68 2HB LEU 68 -5.771 -8.356 -3.595 504 HG LEU 68 HG LEU 68 -5.600 -5.511 -2.728 505 HD11 LEU 68 1HD1 LEU 68 -3.818 -6.832 -4.745 506 HD12 LEU 68 2HD1 LEU 68 -3.396 -5.691 -3.468 507 HD13 LEU 68 3HD1 LEU 68 -4.279 -5.135 -4.890 508 HD21 LEU 68 3HD2 LEU 68 -6.734 -7.080 -5.008 509 HD22 LEU 68 1HD2 LEU 68 -6.426 -5.351 -5.182 510 HD23 LEU 68 2HD2 LEU 68 -7.529 -5.928 -3.932 511 H SER 69 H SER 69 -7.888 -9.106 -0.133 512 HA SER 69 HA SER 69 -6.780 -11.719 -0.526 513 HB2 SER 69 1HB SER 69 -6.364 -10.311 2.116 514 HB3 SER 69 2HB SER 69 -6.263 -12.061 1.927 515 HG SER 69 HG SER 69 -4.592 -10.059 0.863 516 H ASP 70 H ASP 70 -7.870 -13.309 1.075 517 HA ASP 70 HA ASP 70 -10.692 -12.908 0.849 518 HB2 ASP 70 1HB ASP 70 -10.870 -15.134 1.887 519 HB3 ASP 70 2HB ASP 70 -9.714 -15.128 0.558 520 H SER 71 H SER 71 -12.004 -13.714 2.922 521 HA SER 71 HA SER 71 -11.013 -12.611 5.401 522 HB2 SER 71 1HB SER 71 -12.974 -11.042 5.622 523 HB3 SER 71 2HB SER 71 -11.780 -10.559 4.417 524 HG SER 71 HG SER 71 -13.877 -12.161 3.541 525 H GLY 72 H GLY 72 -11.610 -14.042 6.879 526 HA2 GLY 72 1HA GLY 72 -13.796 -14.769 8.008 527 HA3 GLY 72 2HA GLY 72 -14.114 -15.537 6.459 528 HA PRO 73 HA PRO 73 -12.201 -19.169 8.020 529 HB2 PRO 73 1HB PRO 73 -11.574 -20.381 5.672 530 HB3 PRO 73 2HB PRO 73 -13.228 -20.277 6.289 531 HG2 PRO 73 1HG PRO 73 -11.867 -18.587 4.226 532 HG3 PRO 73 2HG PRO 73 -13.505 -19.265 4.213 533 HD2 PRO 73 1HD PRO 73 -13.000 -16.684 4.860 534 HD3 PRO 73 2HD PRO 73 -14.338 -17.605 5.579 535 H SER 74 H SER 74 -10.365 -18.024 8.930 536 HA SER 74 HA SER 74 -7.952 -18.108 7.247 537 HB2 SER 74 1HB SER 74 -8.770 -15.938 8.461 538 HB3 SER 74 2HB SER 74 -8.063 -16.692 9.891 539 HG SER 74 HG SER 74 -6.596 -15.326 8.717 540 H SER 75 H SER 75 -7.337 -20.226 7.505 541 HA SER 75 HA SER 75 -6.320 -22.017 8.471 542 HB2 SER 75 1HB SER 75 -4.930 -20.019 9.427 543 HB3 SER 75 2HB SER 75 -5.754 -20.401 10.938 544 HG SER 75 HG SER 75 -3.616 -21.535 10.067 545 H GLY 76 H GLY 76 -9.053 -21.920 8.725 546 HA2 GLY 76 1HA GLY 76 -9.414 -23.484 11.155 547 HA3 GLY 76 2HA GLY 76 -10.399 -22.035 11.021 Start of MODEL 16 1 H1 GLY 1 H GLY 1 14.522 -3.802 -9.932 2 HA2 GLY 1 1HA GLY 1 15.119 -1.279 -8.637 3 HA3 GLY 1 2HA GLY 1 14.401 -2.490 -7.585 4 H SER 2 H SER 2 16.648 -1.877 -6.618 5 HA SER 2 HA SER 2 18.752 -3.550 -7.794 6 HB2 SER 2 1HB SER 2 18.757 -1.208 -5.928 7 HB3 SER 2 2HB SER 2 20.106 -2.341 -5.883 8 HG SER 2 HG SER 2 19.731 -0.367 -7.577 9 H SER 3 H SER 3 20.093 -4.832 -6.301 10 HA SER 3 HA SER 3 18.398 -6.357 -4.521 11 HB2 SER 3 1HB SER 3 20.096 -7.354 -6.145 12 HB3 SER 3 2HB SER 3 21.342 -6.807 -5.023 13 HG SER 3 HG SER 3 19.741 -8.974 -4.871 14 H GLY 4 H GLY 4 19.329 -7.072 -2.375 15 HA2 GLY 4 1HA GLY 4 21.260 -5.783 -0.920 16 HA3 GLY 4 2HA GLY 4 19.855 -4.735 -0.802 17 H SER 5 H SER 5 18.539 -5.090 0.851 18 HA SER 5 HA SER 5 18.973 -7.096 2.747 19 HB2 SER 5 1HB SER 5 16.980 -6.313 3.833 20 HB3 SER 5 2HB SER 5 17.775 -4.908 3.122 21 HG SER 5 HG SER 5 16.285 -5.447 1.249 22 H SER 6 H SER 6 17.088 -8.575 3.491 23 HA SER 6 HA SER 6 16.490 -10.321 1.242 24 HB2 SER 6 1HB SER 6 15.828 -11.952 2.978 25 HB3 SER 6 2HB SER 6 17.454 -11.325 3.255 26 HG SER 6 HG SER 6 15.320 -9.998 4.469 27 H GLY 7 H GLY 7 14.522 -10.635 0.382 28 HA2 GLY 7 1HA GLY 7 12.406 -8.838 1.029 29 HA3 GLY 7 2HA GLY 7 12.328 -10.157 -0.129 30 H ASN 8 H ASN 8 10.759 -9.045 2.394 31 HA ASN 8 HA ASN 8 10.208 -11.720 3.501 32 HB2 ASN 8 1HB ASN 8 10.437 -9.050 4.824 33 HB3 ASN 8 2HB ASN 8 9.305 -10.225 5.489 34 HD21 ASN 8 1HD2 ASN 8 11.150 -9.560 7.168 35 HD22 ASN 8 2HD2 ASN 8 12.399 -10.748 7.306 36 H LYS 9 H LYS 9 8.079 -12.328 3.786 37 HA LYS 9 HA LYS 9 6.184 -11.529 1.970 38 HB2 LYS 9 1HB LYS 9 5.929 -12.840 4.664 39 HB3 LYS 9 2HB LYS 9 4.508 -12.495 3.687 40 HG2 LYS 9 1HG LYS 9 5.174 -14.763 3.316 41 HG3 LYS 9 2HG LYS 9 5.497 -13.831 1.853 42 HD2 LYS 9 1HD LYS 9 7.825 -13.768 2.302 43 HD3 LYS 9 2HD LYS 9 7.594 -14.365 3.947 44 HE2 LYS 9 1HE LYS 9 6.741 -16.494 2.986 45 HE3 LYS 9 2HE LYS 9 7.148 -15.888 1.382 46 HZ1 LYS 9 3HZ LYS 9 8.931 -17.243 2.102 47 HZ2 LYS 9 1HZ LYS 9 9.012 -16.481 3.610 48 HZ3 LYS 9 2HZ LYS 9 9.474 -15.645 2.214 49 H VAL 10 H VAL 10 5.662 -9.432 1.701 50 HA VAL 10 HA VAL 10 4.981 -7.807 4.036 51 HB VAL 10 HB VAL 10 4.942 -5.907 2.478 52 HG11 VAL 10 1HG1 VAL 10 7.230 -5.673 2.346 53 HG12 VAL 10 2HG1 VAL 10 7.080 -6.955 3.550 54 HG13 VAL 10 3HG1 VAL 10 7.482 -7.355 1.880 55 HG21 VAL 10 3HG2 VAL 10 4.168 -7.027 0.477 56 HG22 VAL 10 1HG2 VAL 10 5.708 -6.229 0.154 57 HG23 VAL 10 2HG2 VAL 10 5.653 -7.975 0.399 58 H ARG 11 H ARG 11 3.122 -6.158 3.480 59 HA ARG 11 HA ARG 11 0.793 -7.801 2.806 60 HB2 ARG 11 1HB ARG 11 0.557 -6.796 4.936 61 HB3 ARG 11 2HB ARG 11 1.131 -5.240 4.353 62 HG2 ARG 11 1HG ARG 11 -1.015 -5.461 2.805 63 HG3 ARG 11 2HG ARG 11 -1.550 -6.474 4.147 64 HD2 ARG 11 1HD ARG 11 -0.327 -3.864 4.825 65 HD3 ARG 11 2HD ARG 11 -1.926 -3.831 4.084 66 HE ARG 11 HE ARG 11 -2.813 -4.767 5.997 67 HH11 ARG 11 1HH1 ARG 11 0.665 -4.805 6.140 68 HH12 ARG 11 2HH1 ARG 11 0.721 -5.231 7.819 69 HH21 ARG 11 1HH2 ARG 11 -2.752 -5.329 8.207 70 HH22 ARG 11 2HH2 ARG 11 -1.223 -5.529 8.994 71 H ARG 12 H ARG 12 -0.121 -7.601 0.881 72 HA ARG 12 HA ARG 12 0.441 -5.212 -0.721 73 HB2 ARG 12 1HB ARG 12 0.736 -7.738 -1.466 74 HB3 ARG 12 2HB ARG 12 -0.977 -7.590 -1.836 75 HG2 ARG 12 1HG ARG 12 -0.529 -5.746 -3.335 76 HG3 ARG 12 2HG ARG 12 1.185 -5.791 -2.913 77 HD2 ARG 12 1HD ARG 12 1.248 -7.019 -4.831 78 HD3 ARG 12 2HD ARG 12 0.929 -8.312 -3.676 79 HE ARG 12 HE ARG 12 -1.473 -7.167 -4.713 80 HH11 ARG 12 1HH1 ARG 12 1.086 -9.429 -5.388 81 HH12 ARG 12 2HH1 ARG 12 0.127 -10.393 -6.461 82 HH21 ARG 12 1HH2 ARG 12 -2.745 -8.428 -6.124 83 HH22 ARG 12 2HH2 ARG 12 -2.051 -9.823 -6.881 84 H VAL 13 H VAL 13 -1.081 -3.754 -1.181 85 HA VAL 13 HA VAL 13 -3.899 -4.465 -0.695 86 HB VAL 13 HB VAL 13 -4.305 -2.204 0.168 87 HG11 VAL 13 1HG1 VAL 13 -2.190 -2.880 2.016 88 HG12 VAL 13 2HG1 VAL 13 -3.940 -2.974 2.225 89 HG13 VAL 13 3HG1 VAL 13 -3.065 -4.317 1.488 90 HG21 VAL 13 3HG2 VAL 13 -2.202 -0.917 0.890 91 HG22 VAL 13 1HG2 VAL 13 -1.357 -1.907 -0.299 92 HG23 VAL 13 2HG2 VAL 13 -2.671 -0.847 -0.807 93 H LYS 14 H LYS 14 -5.237 -2.365 -1.543 94 HA LYS 14 HA LYS 14 -4.183 -1.394 -4.066 95 HB2 LYS 14 1HB LYS 14 -5.171 -3.608 -4.609 96 HB3 LYS 14 2HB LYS 14 -6.715 -3.046 -3.983 97 HG2 LYS 14 1HG LYS 14 -6.343 -1.118 -5.736 98 HG3 LYS 14 2HG LYS 14 -5.310 -2.329 -6.500 99 HD2 LYS 14 1HD LYS 14 -7.418 -3.869 -6.068 100 HD3 LYS 14 2HD LYS 14 -8.258 -2.317 -6.094 101 HE2 LYS 14 1HE LYS 14 -6.899 -1.931 -8.280 102 HE3 LYS 14 2HE LYS 14 -6.723 -3.684 -8.267 103 HZ1 LYS 14 3HZ LYS 14 -8.638 -3.486 -9.447 104 HZ2 LYS 14 1HZ LYS 14 -9.120 -2.059 -8.676 105 HZ3 LYS 14 2HZ LYS 14 -9.306 -3.547 -7.894 106 H THR 15 H THR 15 -4.782 0.653 -4.317 107 HA THR 15 HA THR 15 -6.423 2.012 -2.508 108 HB THR 15 HB THR 15 -6.288 3.924 -4.006 109 HG1 THR 15 1HG THR 15 -6.415 3.386 -6.061 110 HG21 THR 15 3HG2 THR 15 -3.844 2.263 -3.570 111 HG22 THR 15 1HG2 THR 15 -4.306 3.796 -2.831 112 HG23 THR 15 2HG2 THR 15 -3.718 3.760 -4.493 113 H ILE 16 H ILE 16 -8.545 1.840 -2.261 114 HA ILE 16 HA ILE 16 -10.213 1.011 -4.508 115 HB ILE 16 HB ILE 16 -12.025 1.046 -2.660 116 HG12 ILE 16 1HG1 ILE 16 -9.570 0.893 -0.905 117 HG13 ILE 16 2HG1 ILE 16 -10.538 2.352 -1.085 118 HG21 ILE 16 1HG2 ILE 16 -11.720 -1.184 -2.450 119 HG22 ILE 16 2HG2 ILE 16 -10.499 -0.901 -3.689 120 HG23 ILE 16 3HG2 ILE 16 -10.024 -1.021 -1.995 121 HD11 ILE 16 3HD1 ILE 16 -11.452 -0.288 0.027 122 HD12 ILE 16 1HD1 ILE 16 -11.166 1.202 0.925 123 HD13 ILE 16 2HD1 ILE 16 -12.491 1.111 -0.235 124 H TYR 17 H TYR 17 -9.201 3.859 -3.074 125 HA TYR 17 HA TYR 17 -11.400 5.327 -4.342 126 HB2 TYR 17 1HB TYR 17 -10.304 5.910 -1.584 127 HB3 TYR 17 2HB TYR 17 -11.464 6.911 -2.449 128 HD1 TYR 17 1HD TYR 17 -13.222 4.788 -3.591 129 HD2 TYR 17 2HD TYR 17 -11.525 5.205 0.288 130 HE1 TYR 17 1HE TYR 17 -15.069 3.466 -2.648 131 HE2 TYR 17 2HE TYR 17 -13.366 3.883 1.242 132 HH TYR 17 HH TYR 17 -15.746 2.305 -0.800 133 H ASP 18 H ASP 18 -10.868 7.553 -4.860 134 HA ASP 18 HA ASP 18 -8.088 7.795 -5.669 135 HB2 ASP 18 1HB ASP 18 -10.198 9.861 -6.213 136 HB3 ASP 18 2HB ASP 18 -8.791 9.432 -7.182 137 H CYS 19 H CYS 19 -6.626 9.152 -4.812 138 HA CYS 19 HA CYS 19 -7.542 11.185 -2.901 139 HB2 CYS 19 1HB CYS 19 -6.600 8.917 -1.917 140 HB3 CYS 19 2HB CYS 19 -5.048 9.659 -2.287 141 HG CYS 19 HG CYS 19 -7.271 11.499 -0.518 142 H GLN 20 H GLN 20 -6.275 13.030 -2.768 143 HA GLN 20 HA GLN 20 -4.068 13.212 -4.709 144 HB2 GLN 20 1HB GLN 20 -6.004 14.373 -5.605 145 HB3 GLN 20 2HB GLN 20 -6.190 15.279 -4.109 146 HG2 GLN 20 1HG GLN 20 -5.132 16.839 -5.369 147 HG3 GLN 20 2HG GLN 20 -3.731 16.038 -4.662 148 HE21 GLN 20 1HE2 GLN 20 -3.878 17.541 -7.116 149 HE22 GLN 20 2HE2 GLN 20 -3.412 16.467 -8.387 150 H ALA 21 H ALA 21 -2.729 12.713 -2.830 151 HA ALA 21 HA ALA 21 -2.557 14.118 -0.477 152 HB1 ALA 21 3HB ALA 21 -1.164 12.266 -0.631 153 HB2 ALA 21 1HB ALA 21 -0.472 12.788 -2.167 154 HB3 ALA 21 2HB ALA 21 -0.033 13.618 -0.674 155 H ASP 22 H ASP 22 -1.586 15.989 0.221 156 HA ASP 22 HA ASP 22 -0.909 17.917 -1.889 157 HB2 ASP 22 1HB ASP 22 -2.777 18.455 -0.295 158 HB3 ASP 22 2HB ASP 22 -1.583 18.496 1.000 159 H ASN 23 H ASN 23 0.276 16.429 1.055 160 HA ASN 23 HA ASN 23 2.710 18.027 1.011 161 HB2 ASN 23 1HB ASN 23 1.858 15.804 2.882 162 HB3 ASN 23 2HB ASN 23 3.279 16.826 3.082 163 HD21 ASN 23 1HD2 ASN 23 2.539 19.287 2.720 164 HD22 ASN 23 2HD2 ASN 23 1.249 19.756 3.769 165 H ASP 24 H ASP 24 4.820 17.029 0.991 166 HA ASP 24 HA ASP 24 5.092 15.113 -1.091 167 HB2 ASP 24 1HB ASP 24 7.538 15.201 -0.459 168 HB3 ASP 24 2HB ASP 24 6.811 16.751 -0.869 169 H ASP 25 H ASP 25 5.007 14.926 2.381 170 HA ASP 25 HA ASP 25 6.202 12.375 2.672 171 HB2 ASP 25 1HB ASP 25 6.122 13.438 4.700 172 HB3 ASP 25 2HB ASP 25 4.554 14.172 4.376 173 H GLU 26 H GLU 26 2.869 13.439 2.191 174 HA GLU 26 HA GLU 26 1.764 10.809 2.449 175 HB2 GLU 26 1HB GLU 26 0.726 13.500 1.692 176 HB3 GLU 26 2HB GLU 26 -0.215 12.089 1.232 177 HG2 GLU 26 1HG GLU 26 0.721 12.369 4.046 178 HG3 GLU 26 2HG GLU 26 -0.667 13.303 3.489 179 H LEU 27 H LEU 27 1.451 9.298 0.929 180 HA LEU 27 HA LEU 27 2.668 9.639 -1.647 181 HB2 LEU 27 1HB LEU 27 2.821 7.524 -0.455 182 HB3 LEU 27 2HB LEU 27 1.067 7.358 -0.497 183 HG LEU 27 HG LEU 27 1.252 7.274 -3.013 184 HD11 LEU 27 1HD1 LEU 27 4.106 6.514 -2.668 185 HD12 LEU 27 2HD1 LEU 27 3.696 8.226 -2.784 186 HD13 LEU 27 3HD1 LEU 27 3.260 7.125 -4.091 187 HD21 LEU 27 3HD2 LEU 27 1.892 4.931 -3.040 188 HD22 LEU 27 1HD2 LEU 27 0.905 5.284 -1.621 189 HD23 LEU 27 2HD2 LEU 27 2.651 5.102 -1.455 190 H THR 28 H THR 28 1.733 10.221 -3.494 191 HA THR 28 HA THR 28 -1.142 10.706 -3.516 192 HB THR 28 HB THR 28 0.802 11.377 -5.723 193 HG1 THR 28 1HG THR 28 0.608 13.544 -4.568 194 HG21 THR 28 3HG2 THR 28 -0.830 12.968 -6.405 195 HG22 THR 28 1HG2 THR 28 -1.762 12.747 -4.925 196 HG23 THR 28 2HG2 THR 28 -1.692 11.455 -6.124 197 H PHE 29 H PHE 29 -2.501 9.260 -4.321 198 HA PHE 29 HA PHE 29 -1.721 7.697 -6.664 199 HB2 PHE 29 1HB PHE 29 -2.636 5.622 -5.637 200 HB3 PHE 29 2HB PHE 29 -1.192 6.217 -4.824 201 HD1 PHE 29 2HD PHE 29 -4.809 5.737 -4.567 202 HD2 PHE 29 1HD PHE 29 -1.294 7.083 -2.581 203 HE1 PHE 29 2HE PHE 29 -6.020 5.727 -2.424 204 HE2 PHE 29 1HE PHE 29 -2.498 7.074 -0.436 205 HZ PHE 29 HZ PHE 29 -4.865 6.397 -0.356 206 H ILE 30 H ILE 30 -3.823 6.182 -7.135 207 HA ILE 30 HA ILE 30 -6.266 7.729 -6.744 208 HB ILE 30 HB ILE 30 -6.818 7.662 -9.150 209 HG12 ILE 30 1HG1 ILE 30 -3.925 7.093 -9.725 210 HG13 ILE 30 2HG1 ILE 30 -5.067 5.769 -9.526 211 HG21 ILE 30 1HG2 ILE 30 -4.297 9.139 -8.411 212 HG22 ILE 30 2HG2 ILE 30 -5.267 9.473 -9.844 213 HG23 ILE 30 3HG2 ILE 30 -5.955 9.711 -8.238 214 HD11 ILE 30 3HD1 ILE 30 -6.449 6.791 -11.327 215 HD12 ILE 30 1HD1 ILE 30 -5.149 7.955 -11.587 216 HD13 ILE 30 2HD1 ILE 30 -4.860 6.235 -11.849 217 H GLU 31 H GLU 31 -8.199 6.557 -7.535 218 HA GLU 31 HA GLU 31 -8.334 3.971 -6.542 219 HB2 GLU 31 1HB GLU 31 -10.251 5.569 -7.022 220 HB3 GLU 31 2HB GLU 31 -10.153 5.043 -8.696 221 HG2 GLU 31 1HG GLU 31 -10.330 2.656 -7.565 222 HG3 GLU 31 2HG GLU 31 -11.125 3.595 -6.303 223 H GLY 32 H GLY 32 -7.716 2.052 -7.287 224 HA2 GLY 32 1HA GLY 32 -7.641 0.386 -9.010 225 HA3 GLY 32 2HA GLY 32 -7.461 1.673 -10.194 226 H GLU 33 H GLU 33 -5.589 1.981 -7.340 227 HA GLU 33 HA GLU 33 -3.195 1.188 -8.856 228 HB2 GLU 33 1HB GLU 33 -3.564 3.213 -6.649 229 HB3 GLU 33 2HB GLU 33 -1.985 2.691 -7.221 230 HG2 GLU 33 1HG GLU 33 -4.086 3.940 -8.974 231 HG3 GLU 33 2HG GLU 33 -2.781 4.833 -8.195 232 H VAL 34 H VAL 34 -1.431 0.218 -7.657 233 HA VAL 34 HA VAL 34 -2.389 -1.362 -5.359 234 HB VAL 34 HB VAL 34 -0.345 -2.125 -7.449 235 HG11 VAL 34 1HG1 VAL 34 0.502 -3.250 -5.664 236 HG12 VAL 34 2HG1 VAL 34 -1.041 -3.278 -4.806 237 HG13 VAL 34 3HG1 VAL 34 -0.748 -4.401 -6.135 238 HG21 VAL 34 3HG2 VAL 34 -2.024 -3.969 -7.876 239 HG22 VAL 34 1HG2 VAL 34 -3.157 -3.038 -6.896 240 HG23 VAL 34 2HG2 VAL 34 -2.507 -2.351 -8.384 241 H ILE 35 H ILE 35 -1.274 -1.269 -3.504 242 HA ILE 35 HA ILE 35 1.318 0.137 -3.533 243 HB ILE 35 HB ILE 35 -0.663 0.110 -1.257 244 HG12 ILE 35 1HG1 ILE 35 -0.053 2.394 -3.138 245 HG13 ILE 35 2HG1 ILE 35 -1.449 1.336 -3.317 246 HG21 ILE 35 1HG2 ILE 35 0.906 2.211 -0.773 247 HG22 ILE 35 2HG2 ILE 35 1.281 0.590 -0.193 248 HG23 ILE 35 3HG2 ILE 35 2.057 1.206 -1.652 249 HD11 ILE 35 3HD1 ILE 35 -1.546 2.192 -0.679 250 HD12 ILE 35 1HD1 ILE 35 -1.074 3.617 -1.602 251 HD13 ILE 35 2HD1 ILE 35 -2.550 2.747 -2.017 252 H ILE 36 H ILE 36 2.904 -0.541 -2.021 253 HA ILE 36 HA ILE 36 2.494 -3.283 -1.018 254 HB ILE 36 HB ILE 36 5.088 -2.057 -1.963 255 HG12 ILE 36 1HG1 ILE 36 3.398 -2.586 -3.759 256 HG13 ILE 36 2HG1 ILE 36 4.920 -3.457 -3.897 257 HG21 ILE 36 1HG2 ILE 36 5.980 -4.334 -1.716 258 HG22 ILE 36 2HG2 ILE 36 5.427 -3.666 -0.180 259 HG23 ILE 36 3HG2 ILE 36 4.438 -4.851 -1.033 260 HD11 ILE 36 3HD1 ILE 36 2.865 -4.859 -2.361 261 HD12 ILE 36 1HD1 ILE 36 2.461 -4.582 -4.054 262 HD13 ILE 36 2HD1 ILE 36 3.939 -5.445 -3.630 263 H VAL 37 H VAL 37 2.002 -2.892 1.088 264 HA VAL 37 HA VAL 37 3.187 -0.901 2.697 265 HB VAL 37 HB VAL 37 1.928 -3.473 3.654 266 HG11 VAL 37 1HG1 VAL 37 2.853 -1.002 4.954 267 HG12 VAL 37 2HG1 VAL 37 1.260 -1.571 5.456 268 HG13 VAL 37 3HG1 VAL 37 2.664 -2.629 5.608 269 HG21 VAL 37 3HG2 VAL 37 0.085 -1.377 3.850 270 HG22 VAL 37 1HG2 VAL 37 0.772 -1.256 2.231 271 HG23 VAL 37 2HG2 VAL 37 0.019 -2.761 2.759 272 H THR 38 H THR 38 5.252 -0.810 3.266 273 HA THR 38 HA THR 38 6.631 -3.323 3.955 274 HB THR 38 HB THR 38 8.752 -2.214 3.262 275 HG1 THR 38 1HG THR 38 8.045 -0.039 3.387 276 HG21 THR 38 3HG2 THR 38 6.616 -2.444 1.140 277 HG22 THR 38 1HG2 THR 38 7.661 -3.738 1.723 278 HG23 THR 38 2HG2 THR 38 8.349 -2.384 0.826 279 H GLY 39 H GLY 39 6.005 0.012 4.776 280 HA2 GLY 39 1HA GLY 39 7.395 -0.434 7.346 281 HA3 GLY 39 2HA GLY 39 7.448 1.112 6.510 282 H GLU 40 H GLU 40 4.644 -1.004 6.877 283 HA GLU 40 HA GLU 40 2.723 0.799 7.366 284 HB2 GLU 40 1HB GLU 40 1.422 -0.898 8.205 285 HB3 GLU 40 2HB GLU 40 2.706 -1.837 7.455 286 HG2 GLU 40 1HG GLU 40 2.568 -1.105 10.372 287 HG3 GLU 40 2HG GLU 40 2.107 -2.662 9.685 288 H GLU 41 H GLU 41 2.245 2.313 8.822 289 HA GLU 41 HA GLU 41 3.985 2.658 11.113 290 HB2 GLU 41 1HB GLU 41 3.088 4.498 9.508 291 HB3 GLU 41 2HB GLU 41 1.630 4.409 10.486 292 HG2 GLU 41 1HG GLU 41 3.076 4.831 12.494 293 HG3 GLU 41 2HG GLU 41 4.397 5.165 11.377 294 H ASP 42 H ASP 42 0.442 2.688 10.680 295 HA ASP 42 HA ASP 42 0.178 1.189 13.182 296 HB2 ASP 42 1HB ASP 42 -1.430 3.677 12.575 297 HB3 ASP 42 2HB ASP 42 -1.547 2.677 14.019 298 H GLN 43 H GLN 43 -2.432 0.918 13.465 299 HA GLN 43 HA GLN 43 -3.168 -0.752 11.260 300 HB2 GLN 43 1HB GLN 43 -4.335 -0.093 13.925 301 HB3 GLN 43 2HB GLN 43 -5.384 -0.812 12.711 302 HG2 GLN 43 1HG GLN 43 -3.647 -2.633 12.479 303 HG3 GLN 43 2HG GLN 43 -2.897 -1.969 13.930 304 HE21 GLN 43 1HE2 GLN 43 -3.319 -3.364 15.496 305 HE22 GLN 43 2HE2 GLN 43 -4.878 -3.991 15.896 306 H GLU 44 H GLU 44 -3.321 2.497 11.630 307 HA GLU 44 HA GLU 44 -5.802 2.733 10.058 308 HB2 GLU 44 1HB GLU 44 -4.432 4.858 11.715 309 HB3 GLU 44 2HB GLU 44 -5.946 5.043 10.841 310 HG2 GLU 44 1HG GLU 44 -7.078 3.567 12.295 311 HG3 GLU 44 2HG GLU 44 -5.570 3.017 13.025 312 H TRP 45 H TRP 45 -2.440 3.751 10.320 313 HA TRP 45 HA TRP 45 -2.566 4.628 7.509 314 HB2 TRP 45 1HB TRP 45 -0.942 5.806 9.771 315 HB3 TRP 45 2HB TRP 45 -0.719 6.225 8.075 316 HD1 TRP 45 HD TRP 45 -3.355 6.521 10.878 317 HE1 TRP 45 1HE TRP 45 -4.893 8.509 10.326 318 HE3 TRP 45 3HE TRP 45 -1.522 7.707 6.254 319 HZ2 TRP 45 2HZ TRP 45 -5.278 10.338 8.211 320 HZ3 TRP 45 3HZ TRP 45 -2.531 9.589 5.033 321 HH2 TRP 45 HH TRP 45 -4.370 10.876 5.993 322 H TRP 46 H TRP 46 -1.127 3.746 6.143 323 HA TRP 46 HA TRP 46 1.066 2.153 7.299 324 HB2 TRP 46 1HB TRP 46 -0.743 1.463 4.979 325 HB3 TRP 46 2HB TRP 46 0.756 0.606 5.329 326 HD1 TRP 46 HD TRP 46 0.011 0.902 8.635 327 HE1 TRP 46 1HE TRP 46 -1.579 -0.893 9.569 328 HE3 TRP 46 3HE TRP 46 -2.031 -0.735 4.245 329 HZ2 TRP 46 2HZ TRP 46 -3.450 -2.757 8.575 330 HZ3 TRP 46 3HZ TRP 46 -3.714 -2.529 4.323 331 HH2 TRP 46 HH TRP 46 -4.407 -3.517 6.444 332 H ILE 47 H ILE 47 2.704 1.578 5.474 333 HA ILE 47 HA ILE 47 3.061 3.839 3.641 334 HB ILE 47 HB ILE 47 5.341 2.797 5.311 335 HG12 ILE 47 1HG1 ILE 47 5.089 5.076 6.476 336 HG13 ILE 47 2HG1 ILE 47 3.458 5.096 5.812 337 HG21 ILE 47 1HG2 ILE 47 5.160 4.466 3.026 338 HG22 ILE 47 2HG2 ILE 47 5.680 5.459 4.387 339 HG23 ILE 47 3HG2 ILE 47 6.595 4.017 3.948 340 HD11 ILE 47 3HD1 ILE 47 3.769 2.592 7.026 341 HD12 ILE 47 1HD1 ILE 47 4.455 3.774 8.142 342 HD13 ILE 47 2HD1 ILE 47 2.793 3.952 7.579 343 H GLY 48 H GLY 48 3.983 3.328 1.708 344 HA2 GLY 48 1HA GLY 48 5.515 0.951 1.286 345 HA3 GLY 48 2HA GLY 48 3.868 0.769 0.702 346 H HIS 49 H HIS 49 5.006 0.465 -1.375 347 HA HIS 49 HA HIS 49 5.342 3.059 -2.704 348 HB2 HIS 49 1HB HIS 49 7.204 2.032 -4.063 349 HB3 HIS 49 2HB HIS 49 7.596 2.343 -2.374 350 HD1 HIS 49 1HD HIS 49 6.280 -0.604 -4.403 351 HD2 HIS 49 2HD HIS 49 8.825 0.236 -1.228 352 HE1 HIS 49 1HE HIS 49 7.269 -2.817 -3.730 353 HE2 HIS 49 2HE HIS 49 8.740 -2.295 -1.754 354 H ILE 50 H ILE 50 4.485 3.190 -4.728 355 HA ILE 50 HA ILE 50 2.488 1.398 -5.496 356 HB ILE 50 HB ILE 50 3.956 3.351 -7.271 357 HG12 ILE 50 1HG1 ILE 50 2.990 4.376 -5.221 358 HG13 ILE 50 2HG1 ILE 50 2.220 4.944 -6.697 359 HG21 ILE 50 1HG2 ILE 50 1.368 3.219 -8.146 360 HG22 ILE 50 2HG2 ILE 50 2.733 2.368 -8.866 361 HG23 ILE 50 3HG2 ILE 50 1.699 1.547 -7.696 362 HD11 ILE 50 3HD1 ILE 50 1.144 3.007 -4.675 363 HD12 ILE 50 1HD1 ILE 50 0.500 4.584 -5.133 364 HD13 ILE 50 2HD1 ILE 50 0.421 3.235 -6.266 365 H GLU 51 H GLU 51 2.719 -0.621 -6.175 366 HA GLU 51 HA GLU 51 4.892 -2.038 -6.822 367 HB2 GLU 51 1HB GLU 51 2.499 -2.852 -6.772 368 HB3 GLU 51 2HB GLU 51 2.356 -2.303 -8.436 369 HG2 GLU 51 1HG GLU 51 4.594 -4.128 -7.757 370 HG3 GLU 51 2HG GLU 51 2.964 -4.795 -7.835 371 H GLY 52 H GLY 52 6.320 -2.302 -8.462 372 HA2 GLY 52 1HA GLY 52 7.287 -2.047 -10.553 373 HA3 GLY 52 2HA GLY 52 5.825 -1.237 -11.094 374 H GLN 53 H GLN 53 5.739 0.812 -9.157 375 HA GLN 53 HA GLN 53 8.040 2.417 -10.035 376 HB2 GLN 53 1HB GLN 53 5.174 3.040 -9.534 377 HB3 GLN 53 2HB GLN 53 6.352 4.297 -9.185 378 HG2 GLN 53 1HG GLN 53 7.221 3.997 -11.516 379 HG3 GLN 53 2HG GLN 53 5.839 2.945 -11.818 380 HE21 GLN 53 1HE2 GLN 53 3.691 3.917 -11.338 381 HE22 GLN 53 2HE2 GLN 53 3.458 5.580 -11.746 382 HA PRO 54 HA PRO 54 8.807 1.841 -5.540 383 HB2 PRO 54 1HB PRO 54 11.510 1.836 -5.788 384 HB3 PRO 54 2HB PRO 54 10.522 0.388 -6.017 385 HG2 PRO 54 1HG PRO 54 11.686 2.229 -8.069 386 HG3 PRO 54 2HG PRO 54 11.618 0.458 -8.066 387 HD2 PRO 54 1HD PRO 54 9.888 1.979 -9.490 388 HD3 PRO 54 2HD PRO 54 9.428 0.415 -8.788 389 H GLU 55 H GLU 55 10.174 4.073 -7.895 390 HA GLU 55 HA GLU 55 11.453 5.889 -6.265 391 HB2 GLU 55 1HB GLU 55 10.513 7.599 -8.042 392 HB3 GLU 55 2HB GLU 55 11.725 6.404 -8.484 393 HG2 GLU 55 1HG GLU 55 10.181 5.074 -9.608 394 HG3 GLU 55 2HG GLU 55 8.805 5.839 -8.817 395 H ARG 56 H ARG 56 8.134 5.128 -6.355 396 HA ARG 56 HA ARG 56 7.457 7.585 -4.881 397 HB2 ARG 56 1HB ARG 56 5.753 5.688 -6.492 398 HB3 ARG 56 2HB ARG 56 5.066 6.890 -5.408 399 HG2 ARG 56 1HG ARG 56 5.986 8.678 -6.691 400 HG3 ARG 56 2HG ARG 56 6.916 7.554 -7.683 401 HD2 ARG 56 1HD ARG 56 5.123 7.984 -9.057 402 HD3 ARG 56 2HD ARG 56 4.572 6.536 -8.214 403 HE ARG 56 HE ARG 56 2.888 7.778 -7.309 404 HH11 ARG 56 1HH1 ARG 56 5.415 9.931 -8.357 405 HH12 ARG 56 2HH1 ARG 56 4.517 11.369 -7.999 406 HH21 ARG 56 1HH2 ARG 56 1.696 9.663 -6.834 407 HH22 ARG 56 2HH2 ARG 56 2.403 11.215 -7.131 408 H LYS 57 H LYS 57 7.587 7.268 -2.759 409 HA LYS 57 HA LYS 57 6.165 5.001 -1.593 410 HB2 LYS 57 1HB LYS 57 8.050 4.560 -0.030 411 HB3 LYS 57 2HB LYS 57 8.428 4.179 -1.705 412 HG2 LYS 57 1HG LYS 57 9.458 6.535 -1.785 413 HG3 LYS 57 2HG LYS 57 9.413 6.448 -0.023 414 HD2 LYS 57 1HD LYS 57 11.531 5.643 -0.518 415 HD3 LYS 57 2HD LYS 57 10.588 4.161 -0.351 416 HE2 LYS 57 1HE LYS 57 10.576 3.758 -2.628 417 HE3 LYS 57 2HE LYS 57 10.870 5.449 -3.032 418 HZ1 LYS 57 3HZ LYS 57 12.864 3.644 -1.775 419 HZ2 LYS 57 1HZ LYS 57 13.129 5.234 -2.291 420 HZ3 LYS 57 2HZ LYS 57 12.809 4.019 -3.424 421 H GLY 58 H GLY 58 4.758 5.844 -0.211 422 HA2 GLY 58 1HA GLY 58 5.635 7.736 1.795 423 HA3 GLY 58 2HA GLY 58 4.478 8.388 0.645 424 H VAL 59 H VAL 59 3.906 8.285 3.342 425 HA VAL 59 HA VAL 59 2.459 5.957 4.088 426 HB VAL 59 HB VAL 59 3.326 7.550 5.748 427 HG11 VAL 59 1HG1 VAL 59 2.822 9.737 5.809 428 HG12 VAL 59 2HG1 VAL 59 2.328 9.498 4.132 429 HG13 VAL 59 3HG1 VAL 59 1.125 9.460 5.423 430 HG21 VAL 59 3HG2 VAL 59 1.278 7.668 7.160 431 HG22 VAL 59 1HG2 VAL 59 0.337 7.152 5.760 432 HG23 VAL 59 2HG2 VAL 59 1.559 6.081 6.446 433 H PHE 60 H PHE 60 0.207 5.656 4.247 434 HA PHE 60 HA PHE 60 -1.571 7.542 2.952 435 HB2 PHE 60 1HB PHE 60 -2.463 5.783 1.394 436 HB3 PHE 60 2HB PHE 60 -0.840 6.345 1.007 437 HD1 PHE 60 2HD PHE 60 1.125 4.922 1.756 438 HD2 PHE 60 1HD PHE 60 -2.894 3.521 1.739 439 HE1 PHE 60 2HE PHE 60 1.937 2.600 1.792 440 HE2 PHE 60 1HE PHE 60 -2.087 1.197 1.777 441 HZ PHE 60 HZ PHE 60 0.331 0.734 1.802 442 HA PRO 61 HA PRO 61 -4.405 5.954 5.908 443 HB2 PRO 61 1HB PRO 61 -6.761 6.513 4.679 444 HB3 PRO 61 2HB PRO 61 -5.736 7.757 5.404 445 HG2 PRO 61 1HG PRO 61 -5.982 6.942 2.535 446 HG3 PRO 61 2HG PRO 61 -5.883 8.570 3.230 447 HD2 PRO 61 1HD PRO 61 -3.752 7.335 2.104 448 HD3 PRO 61 2HD PRO 61 -3.592 8.468 3.461 449 H VAL 62 H VAL 62 -4.770 3.869 6.300 450 HA VAL 62 HA VAL 62 -4.981 1.873 4.343 451 HB VAL 62 HB VAL 62 -5.911 1.751 7.216 452 HG11 VAL 62 1HG1 VAL 62 -5.587 -0.674 6.979 453 HG12 VAL 62 2HG1 VAL 62 -6.830 -0.062 5.885 454 HG13 VAL 62 3HG1 VAL 62 -5.222 -0.448 5.269 455 HG21 VAL 62 3HG2 VAL 62 -3.237 1.222 5.936 456 HG22 VAL 62 1HG2 VAL 62 -3.622 2.367 7.222 457 HG23 VAL 62 2HG2 VAL 62 -3.671 0.633 7.541 458 H SER 63 H SER 63 -7.363 3.935 5.775 459 HA SER 63 HA SER 63 -9.652 2.352 5.223 460 HB2 SER 63 1HB SER 63 -9.246 5.286 5.779 461 HB3 SER 63 2HB SER 63 -10.839 4.630 5.405 462 HG SER 63 HG SER 63 -10.603 3.234 7.196 463 H PHE 64 H PHE 64 -7.548 4.087 3.224 464 HA PHE 64 HA PHE 64 -9.546 4.506 1.134 465 HB2 PHE 64 1HB PHE 64 -6.676 5.360 1.457 466 HB3 PHE 64 2HB PHE 64 -7.517 5.508 -0.083 467 HD1 PHE 64 2HD PHE 64 -8.490 6.175 3.458 468 HD2 PHE 64 1HD PHE 64 -8.075 7.689 -0.498 469 HE1 PHE 64 2HE PHE 64 -9.435 8.326 4.186 470 HE2 PHE 64 1HE PHE 64 -9.019 9.843 0.223 471 HZ PHE 64 HZ PHE 64 -9.701 10.164 2.568 472 H VAL 65 H VAL 65 -7.141 2.273 2.082 473 HA VAL 65 HA VAL 65 -7.180 1.023 -0.587 474 HB VAL 65 HB VAL 65 -5.080 0.007 -0.131 475 HG11 VAL 65 1HG1 VAL 65 -3.628 1.967 0.340 476 HG12 VAL 65 2HG1 VAL 65 -4.882 2.291 -0.859 477 HG13 VAL 65 3HG1 VAL 65 -5.068 2.877 0.794 478 HG21 VAL 65 3HG2 VAL 65 -5.625 0.838 2.688 479 HG22 VAL 65 1HG2 VAL 65 -5.117 -0.729 2.057 480 HG23 VAL 65 2HG2 VAL 65 -3.963 0.601 2.147 481 H HIS 66 H HIS 66 -6.848 -1.427 -0.453 482 HA HIS 66 HA HIS 66 -8.166 -2.627 1.862 483 HB2 HIS 66 1HB HIS 66 -9.958 -3.519 0.730 484 HB3 HIS 66 2HB HIS 66 -9.769 -2.006 -0.150 485 HD1 HIS 66 1HD HIS 66 -8.611 -2.176 -2.524 486 HD2 HIS 66 2HD HIS 66 -9.597 -5.806 -0.759 487 HE1 HIS 66 1HE HIS 66 -8.493 -3.877 -4.372 488 HE2 HIS 66 2HE HIS 66 -9.176 -6.050 -3.300 489 H ILE 67 H ILE 67 -7.056 -4.348 2.490 490 HA ILE 67 HA ILE 67 -4.844 -5.363 1.101 491 HB ILE 67 HB ILE 67 -6.377 -6.880 3.204 492 HG12 ILE 67 1HG1 ILE 67 -4.490 -5.640 4.644 493 HG13 ILE 67 2HG1 ILE 67 -4.729 -4.412 3.405 494 HG21 ILE 67 1HG2 ILE 67 -3.993 -7.384 1.777 495 HG22 ILE 67 2HG2 ILE 67 -3.541 -7.016 3.441 496 HG23 ILE 67 3HG2 ILE 67 -4.687 -8.314 3.105 497 HD11 ILE 67 3HD1 ILE 67 -6.671 -3.770 4.274 498 HD12 ILE 67 1HD1 ILE 67 -7.223 -5.430 4.499 499 HD13 ILE 67 2HD1 ILE 67 -6.181 -4.676 5.706 500 H LEU 68 H LEU 68 -4.934 -6.404 -0.778 501 HA LEU 68 HA LEU 68 -7.143 -7.679 -1.875 502 HB2 LEU 68 1HB LEU 68 -4.212 -8.153 -2.388 503 HB3 LEU 68 2HB LEU 68 -5.514 -8.778 -3.397 504 HG LEU 68 HG LEU 68 -5.360 -5.839 -2.944 505 HD11 LEU 68 1HD1 LEU 68 -3.109 -6.150 -3.481 506 HD12 LEU 68 2HD1 LEU 68 -3.876 -5.784 -5.026 507 HD13 LEU 68 3HD1 LEU 68 -3.464 -7.451 -4.620 508 HD21 LEU 68 3HD2 LEU 68 -6.636 -7.725 -4.758 509 HD22 LEU 68 1HD2 LEU 68 -5.850 -6.387 -5.596 510 HD23 LEU 68 2HD2 LEU 68 -7.069 -6.061 -4.364 511 H SER 69 H SER 69 -8.054 -9.624 -1.638 512 HA SER 69 HA SER 69 -6.824 -11.486 0.257 513 HB2 SER 69 1HB SER 69 -9.051 -12.518 0.393 514 HB3 SER 69 2HB SER 69 -9.140 -10.785 0.710 515 HG SER 69 HG SER 69 -10.294 -12.245 -1.272 516 H ASP 70 H ASP 70 -5.956 -13.351 -0.368 517 HA ASP 70 HA ASP 70 -6.787 -14.577 -2.886 518 HB2 ASP 70 1HB ASP 70 -4.923 -13.310 -3.644 519 HB3 ASP 70 2HB ASP 70 -3.966 -13.735 -2.228 520 H SER 71 H SER 71 -7.158 -16.663 -2.568 521 HA SER 71 HA SER 71 -6.539 -17.947 -0.114 522 HB2 SER 71 1HB SER 71 -7.569 -19.920 -1.098 523 HB3 SER 71 2HB SER 71 -8.530 -18.498 -1.498 524 HG SER 71 HG SER 71 -7.593 -18.500 -3.552 525 H GLY 72 H GLY 72 -4.866 -19.198 0.468 526 HA2 GLY 72 1HA GLY 72 -3.327 -20.882 -1.041 527 HA3 GLY 72 2HA GLY 72 -2.559 -19.314 -1.237 528 HA PRO 73 HA PRO 73 -0.711 -21.334 2.491 529 HB2 PRO 73 1HB PRO 73 1.846 -20.670 1.864 530 HB3 PRO 73 2HB PRO 73 1.056 -22.129 1.256 531 HG2 PRO 73 1HG PRO 73 1.465 -19.491 -0.099 532 HG3 PRO 73 2HG PRO 73 1.661 -21.128 -0.755 533 HD2 PRO 73 1HD PRO 73 -0.539 -19.622 -1.228 534 HD3 PRO 73 2HD PRO 73 -0.601 -21.392 -1.109 535 H SER 74 H SER 74 -1.092 -18.235 1.262 536 HA SER 74 HA SER 74 0.482 -16.844 3.243 537 HB2 SER 74 1HB SER 74 0.116 -15.899 0.979 538 HB3 SER 74 2HB SER 74 -1.605 -15.761 1.335 539 HG SER 74 HG SER 74 0.430 -14.117 2.030 540 H SER 75 H SER 75 -2.976 -17.354 2.601 541 HA SER 75 HA SER 75 -3.583 -16.319 5.282 542 HB2 SER 75 1HB SER 75 -4.779 -15.354 3.286 543 HB3 SER 75 2HB SER 75 -5.536 -16.929 3.054 544 HG SER 75 HG SER 75 -5.691 -15.770 5.587 545 H GLY 76 H GLY 76 -3.847 -17.755 6.850 546 HA2 GLY 76 1HA GLY 76 -5.619 -19.813 6.982 547 HA3 GLY 76 2HA GLY 76 -4.196 -20.555 6.266 Start of MODEL 17 1 H1 GLY 1 H GLY 1 14.959 -15.576 -13.148 2 HA2 GLY 1 1HA GLY 1 12.907 -13.786 -13.221 3 HA3 GLY 1 2HA GLY 1 12.113 -15.329 -13.501 4 H SER 2 H SER 2 13.101 -13.157 -11.177 5 HA SER 2 HA SER 2 13.931 -14.697 -9.029 6 HB2 SER 2 1HB SER 2 12.970 -12.889 -7.598 7 HB3 SER 2 2HB SER 2 13.964 -12.277 -8.920 8 HG SER 2 HG SER 2 11.171 -12.208 -8.608 9 H SER 3 H SER 3 12.948 -15.932 -7.505 10 HA SER 3 HA SER 3 10.237 -16.809 -8.101 11 HB2 SER 3 1HB SER 3 10.711 -18.599 -6.446 12 HB3 SER 3 2HB SER 3 11.913 -18.537 -7.735 13 HG SER 3 HG SER 3 13.082 -18.656 -5.897 14 H GLY 4 H GLY 4 12.071 -15.576 -5.309 15 HA2 GLY 4 1HA GLY 4 10.273 -13.790 -4.332 16 HA3 GLY 4 2HA GLY 4 9.694 -15.323 -3.698 17 H SER 5 H SER 5 10.323 -13.551 -1.852 18 HA SER 5 HA SER 5 12.938 -14.457 -0.844 19 HB2 SER 5 1HB SER 5 11.768 -11.707 -0.935 20 HB3 SER 5 2HB SER 5 12.802 -12.141 0.427 21 HG SER 5 HG SER 5 14.147 -11.346 -1.118 22 H SER 6 H SER 6 13.065 -14.001 1.622 23 HA SER 6 HA SER 6 10.528 -14.296 3.001 24 HB2 SER 6 1HB SER 6 11.309 -16.382 4.168 25 HB3 SER 6 2HB SER 6 10.948 -16.603 2.456 26 HG SER 6 HG SER 6 12.898 -17.576 2.834 27 H GLY 7 H GLY 7 10.591 -13.261 4.893 28 HA2 GLY 7 1HA GLY 7 12.441 -13.305 6.876 29 HA3 GLY 7 2HA GLY 7 13.078 -12.092 5.775 30 H ASN 8 H ASN 8 11.192 -10.533 5.005 31 HA ASN 8 HA ASN 8 9.902 -9.585 7.475 32 HB2 ASN 8 1HB ASN 8 11.544 -8.019 6.582 33 HB3 ASN 8 2HB ASN 8 10.748 -8.042 5.012 34 HD21 ASN 8 1HD2 ASN 8 10.043 -6.018 4.808 35 HD22 ASN 8 2HD2 ASN 8 8.990 -5.217 5.921 36 H LYS 9 H LYS 9 7.816 -10.081 7.549 37 HA LYS 9 HA LYS 9 6.239 -10.853 5.369 38 HB2 LYS 9 1HB LYS 9 5.830 -11.281 7.850 39 HB3 LYS 9 2HB LYS 9 5.158 -9.657 7.917 40 HG2 LYS 9 1HG LYS 9 3.327 -11.109 7.671 41 HG3 LYS 9 2HG LYS 9 3.574 -10.374 6.085 42 HD2 LYS 9 1HD LYS 9 3.242 -12.640 5.615 43 HD3 LYS 9 2HD LYS 9 4.995 -12.447 5.563 44 HE2 LYS 9 1HE LYS 9 5.271 -13.462 7.670 45 HE3 LYS 9 2HE LYS 9 3.557 -13.313 8.055 46 HZ1 LYS 9 3HZ LYS 9 3.690 -14.803 5.736 47 HZ2 LYS 9 1HZ LYS 9 3.313 -15.362 7.287 48 HZ3 LYS 9 2HZ LYS 9 4.909 -15.421 6.732 49 H VAL 10 H VAL 10 5.546 -9.663 3.730 50 HA VAL 10 HA VAL 10 5.097 -6.786 4.151 51 HB VAL 10 HB VAL 10 5.493 -6.417 1.856 52 HG11 VAL 10 1HG1 VAL 10 7.540 -8.454 1.890 53 HG12 VAL 10 2HG1 VAL 10 7.695 -6.700 2.009 54 HG13 VAL 10 3HG1 VAL 10 7.399 -7.661 3.459 55 HG21 VAL 10 3HG2 VAL 10 5.667 -8.161 0.186 56 HG22 VAL 10 1HG2 VAL 10 5.443 -9.401 1.419 57 HG23 VAL 10 2HG2 VAL 10 4.124 -8.298 1.028 58 H ARG 11 H ARG 11 3.218 -5.793 3.371 59 HA ARG 11 HA ARG 11 0.984 -7.646 2.866 60 HB2 ARG 11 1HB ARG 11 1.226 -5.189 4.520 61 HB3 ARG 11 2HB ARG 11 -0.297 -5.436 3.674 62 HG2 ARG 11 1HG ARG 11 -0.087 -7.845 4.737 63 HG3 ARG 11 2HG ARG 11 0.912 -6.975 5.902 64 HD2 ARG 11 1HD ARG 11 -0.989 -5.333 6.126 65 HD3 ARG 11 2HD ARG 11 -1.966 -6.461 5.186 66 HE ARG 11 HE ARG 11 -0.779 -7.799 7.368 67 HH11 ARG 11 1HH1 ARG 11 -3.276 -5.490 6.626 68 HH12 ARG 11 2HH1 ARG 11 -4.247 -5.902 7.999 69 HH21 ARG 11 1HH2 ARG 11 -2.049 -8.352 9.180 70 HH22 ARG 11 2HH2 ARG 11 -3.549 -7.529 9.452 71 H ARG 12 H ARG 12 -0.219 -7.387 1.074 72 HA ARG 12 HA ARG 12 0.465 -5.132 -0.688 73 HB2 ARG 12 1HB ARG 12 0.768 -7.679 -1.323 74 HB3 ARG 12 2HB ARG 12 -0.948 -7.566 -1.686 75 HG2 ARG 12 1HG ARG 12 -0.531 -5.789 -3.275 76 HG3 ARG 12 2HG ARG 12 1.187 -5.800 -2.865 77 HD2 ARG 12 1HD ARG 12 1.222 -7.106 -4.739 78 HD3 ARG 12 2HD ARG 12 0.972 -8.345 -3.511 79 HE ARG 12 HE ARG 12 -0.926 -7.455 -5.507 80 HH11 ARG 12 1HH1 ARG 12 -0.417 -9.183 -2.529 81 HH12 ARG 12 2HH1 ARG 12 -1.873 -10.110 -2.665 82 HH21 ARG 12 1HH2 ARG 12 -2.847 -8.671 -5.699 83 HH22 ARG 12 2HH2 ARG 12 -3.255 -9.819 -4.470 84 H VAL 13 H VAL 13 -1.022 -3.618 -0.984 85 HA VAL 13 HA VAL 13 -3.861 -4.343 -0.685 86 HB VAL 13 HB VAL 13 -4.300 -2.152 0.330 87 HG11 VAL 13 1HG1 VAL 13 -4.163 -3.493 2.121 88 HG12 VAL 13 2HG1 VAL 13 -2.662 -4.239 1.567 89 HG13 VAL 13 3HG1 VAL 13 -2.619 -2.691 2.411 90 HG21 VAL 13 3HG2 VAL 13 -2.234 -0.933 1.245 91 HG22 VAL 13 1HG2 VAL 13 -1.332 -1.840 0.030 92 HG23 VAL 13 2HG2 VAL 13 -2.617 -0.738 -0.466 93 H LYS 14 H LYS 14 -5.286 -2.507 -1.594 94 HA LYS 14 HA LYS 14 -4.064 -1.308 -3.978 95 HB2 LYS 14 1HB LYS 14 -5.085 -3.301 -4.820 96 HB3 LYS 14 2HB LYS 14 -6.554 -3.011 -3.897 97 HG2 LYS 14 1HG LYS 14 -6.654 -0.816 -5.319 98 HG3 LYS 14 2HG LYS 14 -5.611 -1.729 -6.412 99 HD2 LYS 14 1HD LYS 14 -8.056 -3.064 -5.372 100 HD3 LYS 14 2HD LYS 14 -8.254 -1.812 -6.601 101 HE2 LYS 14 1HE LYS 14 -7.018 -3.004 -8.181 102 HE3 LYS 14 2HE LYS 14 -6.267 -4.029 -6.959 103 HZ1 LYS 14 3HZ LYS 14 -8.187 -4.935 -8.437 104 HZ2 LYS 14 1HZ LYS 14 -9.178 -4.144 -7.318 105 HZ3 LYS 14 2HZ LYS 14 -8.112 -5.350 -6.799 106 H THR 15 H THR 15 -4.905 0.651 -4.598 107 HA THR 15 HA THR 15 -6.387 2.087 -2.602 108 HB THR 15 HB THR 15 -6.120 4.034 -4.038 109 HG1 THR 15 1HG THR 15 -6.351 3.281 -6.091 110 HG21 THR 15 3HG2 THR 15 -4.202 3.725 -2.754 111 HG22 THR 15 1HG2 THR 15 -3.560 3.843 -4.391 112 HG23 THR 15 2HG2 THR 15 -3.734 2.264 -3.625 113 H ILE 16 H ILE 16 -8.477 1.407 -2.463 114 HA ILE 16 HA ILE 16 -10.094 0.939 -4.792 115 HB ILE 16 HB ILE 16 -11.971 0.808 -3.081 116 HG12 ILE 16 1HG1 ILE 16 -9.715 0.778 -1.081 117 HG13 ILE 16 2HG1 ILE 16 -10.659 2.228 -1.410 118 HG21 ILE 16 1HG2 ILE 16 -10.491 -1.248 -1.971 119 HG22 ILE 16 2HG2 ILE 16 -11.451 -1.326 -3.447 120 HG23 ILE 16 3HG2 ILE 16 -9.727 -0.968 -3.536 121 HD11 ILE 16 3HD1 ILE 16 -12.430 1.486 -0.257 122 HD12 ILE 16 1HD1 ILE 16 -12.229 -0.177 -0.807 123 HD13 ILE 16 2HD1 ILE 16 -11.238 0.440 0.516 124 H TYR 17 H TYR 17 -9.112 3.699 -3.175 125 HA TYR 17 HA TYR 17 -11.281 5.246 -4.412 126 HB2 TYR 17 1HB TYR 17 -10.178 5.671 -1.627 127 HB3 TYR 17 2HB TYR 17 -11.279 6.771 -2.450 128 HD1 TYR 17 1HD TYR 17 -13.291 5.113 -3.621 129 HD2 TYR 17 2HD TYR 17 -11.287 4.616 0.099 130 HE1 TYR 17 1HE TYR 17 -15.211 3.838 -2.764 131 HE2 TYR 17 2HE TYR 17 -13.201 3.339 0.966 132 HH TYR 17 HH TYR 17 -15.377 2.805 0.597 133 H ASP 18 H ASP 18 -10.722 7.402 -4.992 134 HA ASP 18 HA ASP 18 -7.987 7.656 -5.842 135 HB2 ASP 18 1HB ASP 18 -8.700 9.492 -7.122 136 HB3 ASP 18 2HB ASP 18 -10.094 8.416 -7.112 137 H CYS 19 H CYS 19 -6.450 9.092 -5.141 138 HA CYS 19 HA CYS 19 -7.112 10.891 -2.935 139 HB2 CYS 19 1HB CYS 19 -6.279 8.600 -2.096 140 HB3 CYS 19 2HB CYS 19 -4.710 9.090 -2.722 141 HG CYS 19 HG CYS 19 -4.282 9.748 -0.205 142 H GLN 20 H GLN 20 -5.693 12.637 -2.691 143 HA GLN 20 HA GLN 20 -3.576 12.890 -4.710 144 HB2 GLN 20 1HB GLN 20 -5.493 14.049 -5.627 145 HB3 GLN 20 2HB GLN 20 -5.729 14.927 -4.121 146 HG2 GLN 20 1HG GLN 20 -4.650 16.205 -6.000 147 HG3 GLN 20 2HG GLN 20 -3.803 16.230 -4.454 148 HE21 GLN 20 1HE2 GLN 20 -3.819 14.929 -7.694 149 HE22 GLN 20 2HE2 GLN 20 -2.157 14.458 -7.724 150 H ALA 21 H ALA 21 -2.214 12.413 -2.862 151 HA ALA 21 HA ALA 21 -2.080 13.803 -0.486 152 HB1 ALA 21 3HB ALA 21 0.402 13.273 -0.574 153 HB2 ALA 21 1HB ALA 21 -0.705 11.907 -0.723 154 HB3 ALA 21 2HB ALA 21 0.087 12.561 -2.158 155 H ASP 22 H ASP 22 -1.444 15.779 0.140 156 HA ASP 22 HA ASP 22 -0.720 17.696 -1.924 157 HB2 ASP 22 1HB ASP 22 -2.450 17.991 0.045 158 HB3 ASP 22 2HB ASP 22 -1.013 18.443 0.957 159 H ASN 23 H ASN 23 0.609 16.322 1.044 160 HA ASN 23 HA ASN 23 3.055 17.868 0.768 161 HB2 ASN 23 1HB ASN 23 1.954 16.004 2.843 162 HB3 ASN 23 2HB ASN 23 3.676 16.374 2.827 163 HD21 ASN 23 1HD2 ASN 23 0.537 18.015 2.654 164 HD22 ASN 23 2HD2 ASN 23 0.987 19.348 3.657 165 H ASP 24 H ASP 24 5.163 16.646 1.028 166 HA ASP 24 HA ASP 24 5.433 14.823 -1.133 167 HB2 ASP 24 1HB ASP 24 7.390 15.593 1.041 168 HB3 ASP 24 2HB ASP 24 7.801 14.665 -0.399 169 H ASP 25 H ASP 25 6.017 14.388 2.360 170 HA ASP 25 HA ASP 25 6.592 11.757 2.516 171 HB2 ASP 25 1HB ASP 25 5.351 11.723 4.704 172 HB3 ASP 25 2HB ASP 25 6.479 13.065 4.520 173 H GLU 26 H GLU 26 3.292 13.075 2.321 174 HA GLU 26 HA GLU 26 1.969 10.590 2.334 175 HB2 GLU 26 1HB GLU 26 1.217 13.354 1.449 176 HB3 GLU 26 2HB GLU 26 0.144 12.004 1.110 177 HG2 GLU 26 1HG GLU 26 1.137 12.349 3.886 178 HG3 GLU 26 2HG GLU 26 -0.100 13.454 3.290 179 H LEU 27 H LEU 27 1.728 9.079 0.824 180 HA LEU 27 HA LEU 27 2.987 9.399 -1.741 181 HB2 LEU 27 1HB LEU 27 3.143 7.289 -0.565 182 HB3 LEU 27 2HB LEU 27 1.387 7.132 -0.563 183 HG LEU 27 HG LEU 27 1.496 7.010 -3.072 184 HD11 LEU 27 1HD1 LEU 27 4.354 6.256 -2.871 185 HD12 LEU 27 2HD1 LEU 27 3.965 7.976 -2.892 186 HD13 LEU 27 3HD1 LEU 27 3.450 6.940 -4.223 187 HD21 LEU 27 3HD2 LEU 27 1.650 5.063 -1.222 188 HD22 LEU 27 1HD2 LEU 27 3.140 4.756 -2.115 189 HD23 LEU 27 2HD2 LEU 27 1.590 4.758 -2.960 190 H THR 28 H THR 28 2.067 9.811 -3.660 191 HA THR 28 HA THR 28 -0.791 10.411 -3.690 192 HB THR 28 HB THR 28 1.048 10.873 -6.018 193 HG1 THR 28 1HG THR 28 1.817 11.737 -3.834 194 HG21 THR 28 3HG2 THR 28 -1.342 11.264 -6.332 195 HG22 THR 28 1HG2 THR 28 -0.449 12.783 -6.393 196 HG23 THR 28 2HG2 THR 28 -1.357 12.352 -4.944 197 H PHE 29 H PHE 29 -2.216 9.008 -4.457 198 HA PHE 29 HA PHE 29 -1.445 7.231 -6.654 199 HB2 PHE 29 1HB PHE 29 -2.689 5.358 -5.488 200 HB3 PHE 29 2HB PHE 29 -1.143 5.803 -4.771 201 HD1 PHE 29 1HD PHE 29 -1.095 7.145 -2.686 202 HD2 PHE 29 2HD PHE 29 -4.712 5.572 -4.285 203 HE1 PHE 29 1HE PHE 29 -2.197 7.479 -0.512 204 HE2 PHE 29 2HE PHE 29 -5.821 5.904 -2.114 205 HZ PHE 29 HZ PHE 29 -4.563 6.859 -0.224 206 H ILE 30 H ILE 30 -3.623 5.861 -7.161 207 HA ILE 30 HA ILE 30 -5.976 7.565 -7.000 208 HB ILE 30 HB ILE 30 -6.369 7.491 -9.435 209 HG12 ILE 30 1HG1 ILE 30 -3.489 6.779 -9.852 210 HG13 ILE 30 2HG1 ILE 30 -4.670 5.494 -9.629 211 HG21 ILE 30 1HG2 ILE 30 -3.799 8.820 -8.586 212 HG22 ILE 30 2HG2 ILE 30 -4.705 9.208 -10.047 213 HG23 ILE 30 3HG2 ILE 30 -5.425 9.492 -8.463 214 HD11 ILE 30 3HD1 ILE 30 -5.670 5.878 -11.631 215 HD12 ILE 30 1HD1 ILE 30 -5.273 7.596 -11.629 216 HD13 ILE 30 2HD1 ILE 30 -4.032 6.404 -12.015 217 H GLU 31 H GLU 31 -7.932 6.491 -7.537 218 HA GLU 31 HA GLU 31 -8.252 3.940 -6.641 219 HB2 GLU 31 1HB GLU 31 -10.117 5.473 -7.091 220 HB3 GLU 31 2HB GLU 31 -9.871 5.270 -8.820 221 HG2 GLU 31 1HG GLU 31 -10.227 2.745 -8.289 222 HG3 GLU 31 2HG GLU 31 -11.001 3.362 -6.831 223 H GLY 32 H GLY 32 -7.696 1.976 -7.315 224 HA2 GLY 32 1HA GLY 32 -7.542 0.237 -8.914 225 HA3 GLY 32 2HA GLY 32 -7.460 1.448 -10.186 226 H GLU 33 H GLU 33 -5.517 1.400 -7.244 227 HA GLU 33 HA GLU 33 -3.152 0.794 -8.889 228 HB2 GLU 33 1HB GLU 33 -3.549 2.981 -6.866 229 HB3 GLU 33 2HB GLU 33 -1.942 2.365 -7.226 230 HG2 GLU 33 1HG GLU 33 -3.834 3.505 -9.269 231 HG3 GLU 33 2HG GLU 33 -2.530 4.401 -8.490 232 H VAL 34 H VAL 34 -1.417 -0.251 -7.817 233 HA VAL 34 HA VAL 34 -2.264 -1.705 -5.401 234 HB VAL 34 HB VAL 34 -0.180 -2.498 -7.440 235 HG11 VAL 34 1HG1 VAL 34 0.556 -3.633 -5.616 236 HG12 VAL 34 2HG1 VAL 34 -1.024 -3.619 -4.831 237 HG13 VAL 34 3HG1 VAL 34 -0.697 -4.760 -6.135 238 HG21 VAL 34 3HG2 VAL 34 -3.076 -3.111 -7.146 239 HG22 VAL 34 1HG2 VAL 34 -2.112 -2.873 -8.604 240 HG23 VAL 34 2HG2 VAL 34 -2.003 -4.391 -7.712 241 H ILE 35 H ILE 35 -1.242 -1.304 -3.558 242 HA ILE 35 HA ILE 35 1.385 0.026 -3.675 243 HB ILE 35 HB ILE 35 -0.664 0.201 -1.462 244 HG12 ILE 35 1HG1 ILE 35 0.162 2.397 -3.358 245 HG13 ILE 35 2HG1 ILE 35 -1.214 1.346 -3.681 246 HG21 ILE 35 1HG2 ILE 35 1.412 0.510 -0.451 247 HG22 ILE 35 2HG2 ILE 35 2.068 1.371 -1.842 248 HG23 ILE 35 3HG2 ILE 35 0.875 2.153 -0.806 249 HD11 ILE 35 3HD1 ILE 35 -1.606 3.630 -2.560 250 HD12 ILE 35 1HD1 ILE 35 -2.447 2.214 -1.933 251 HD13 ILE 35 2HD1 ILE 35 -1.021 2.834 -1.099 252 H ILE 36 H ILE 36 3.041 -0.710 -2.395 253 HA ILE 36 HA ILE 36 2.606 -3.340 -1.158 254 HB ILE 36 HB ILE 36 5.173 -2.040 -2.075 255 HG12 ILE 36 1HG1 ILE 36 3.791 -2.758 -3.942 256 HG13 ILE 36 2HG1 ILE 36 5.163 -3.848 -3.771 257 HG21 ILE 36 1HG2 ILE 36 5.516 -3.467 -0.119 258 HG22 ILE 36 2HG2 ILE 36 4.706 -4.796 -0.946 259 HG23 ILE 36 3HG2 ILE 36 6.235 -4.174 -1.566 260 HD11 ILE 36 3HD1 ILE 36 3.735 -5.532 -3.781 261 HD12 ILE 36 1HD1 ILE 36 3.117 -4.962 -2.231 262 HD13 ILE 36 2HD1 ILE 36 2.361 -4.428 -3.733 263 H VAL 37 H VAL 37 2.204 -3.168 0.954 264 HA VAL 37 HA VAL 37 3.119 -1.009 2.570 265 HB VAL 37 HB VAL 37 2.060 -3.667 3.532 266 HG11 VAL 37 1HG1 VAL 37 2.905 -1.255 4.844 267 HG12 VAL 37 2HG1 VAL 37 1.191 -1.547 5.146 268 HG13 VAL 37 3HG1 VAL 37 2.383 -2.785 5.547 269 HG21 VAL 37 3HG2 VAL 37 -0.133 -2.890 3.306 270 HG22 VAL 37 1HG2 VAL 37 0.386 -1.222 3.064 271 HG23 VAL 37 2HG2 VAL 37 0.642 -2.419 1.794 272 H THR 38 H THR 38 5.221 -0.774 2.996 273 HA THR 38 HA THR 38 6.830 -3.155 3.602 274 HB THR 38 HB THR 38 8.798 -1.720 3.264 275 HG1 THR 38 1HG THR 38 8.439 0.415 2.448 276 HG21 THR 38 3HG2 THR 38 8.214 -2.825 1.299 277 HG22 THR 38 1HG2 THR 38 8.288 -1.137 0.792 278 HG23 THR 38 2HG2 THR 38 6.726 -1.896 1.104 279 H GLY 39 H GLY 39 6.052 0.083 4.830 280 HA2 GLY 39 1HA GLY 39 6.939 -0.837 7.493 281 HA3 GLY 39 2HA GLY 39 7.294 0.782 6.911 282 H GLU 40 H GLU 40 5.051 -1.206 8.516 283 HA GLU 40 HA GLU 40 2.723 0.401 8.114 284 HB2 GLU 40 1HB GLU 40 2.328 -1.850 8.719 285 HB3 GLU 40 2HB GLU 40 3.443 -1.766 10.076 286 HG2 GLU 40 1HG GLU 40 1.848 -0.089 11.102 287 HG3 GLU 40 2HG GLU 40 0.703 -0.565 9.849 288 H GLU 41 H GLU 41 2.572 2.419 8.824 289 HA GLU 41 HA GLU 41 4.149 3.405 11.005 290 HB2 GLU 41 1HB GLU 41 3.303 4.662 8.887 291 HB3 GLU 41 2HB GLU 41 1.828 4.888 9.816 292 HG2 GLU 41 1HG GLU 41 3.572 6.744 9.875 293 HG3 GLU 41 2HG GLU 41 2.884 6.213 11.409 294 H ASP 42 H ASP 42 0.770 2.530 10.519 295 HA ASP 42 HA ASP 42 0.394 2.104 13.323 296 HB2 ASP 42 1HB ASP 42 -1.042 4.414 12.001 297 HB3 ASP 42 2HB ASP 42 -1.486 3.732 13.562 298 H GLN 43 H GLN 43 -2.083 1.681 13.720 299 HA GLN 43 HA GLN 43 -2.816 -0.395 11.899 300 HB2 GLN 43 1HB GLN 43 -4.108 0.753 14.364 301 HB3 GLN 43 2HB GLN 43 -4.887 -0.499 13.405 302 HG2 GLN 43 1HG GLN 43 -3.416 -2.109 14.049 303 HG3 GLN 43 2HG GLN 43 -2.095 -0.965 14.286 304 HE21 GLN 43 1HE2 GLN 43 -5.386 -1.162 15.593 305 HE22 GLN 43 2HE2 GLN 43 -4.912 -1.139 17.254 306 H GLU 44 H GLU 44 -3.142 2.850 11.658 307 HA GLU 44 HA GLU 44 -5.608 2.610 10.061 308 HB2 GLU 44 1HB GLU 44 -4.658 4.930 11.745 309 HB3 GLU 44 2HB GLU 44 -5.957 5.056 10.567 310 HG2 GLU 44 1HG GLU 44 -6.004 3.094 12.839 311 HG3 GLU 44 2HG GLU 44 -6.651 4.730 12.964 312 H TRP 45 H TRP 45 -2.353 3.798 10.296 313 HA TRP 45 HA TRP 45 -2.509 4.665 7.484 314 HB2 TRP 45 1HB TRP 45 -0.835 5.853 9.706 315 HB3 TRP 45 2HB TRP 45 -0.701 6.295 8.006 316 HD1 TRP 45 HD TRP 45 -3.280 6.437 10.886 317 HE1 TRP 45 1HE TRP 45 -4.848 8.433 10.454 318 HE3 TRP 45 3HE TRP 45 -1.508 7.885 6.314 319 HZ2 TRP 45 2HZ TRP 45 -5.275 10.366 8.441 320 HZ3 TRP 45 3HZ TRP 45 -2.550 9.817 5.203 321 HH2 TRP 45 HH TRP 45 -4.395 11.030 6.246 322 H TRP 46 H TRP 46 -1.207 3.622 6.127 323 HA TRP 46 HA TRP 46 1.069 2.127 7.256 324 HB2 TRP 46 1HB TRP 46 -0.810 1.350 5.022 325 HB3 TRP 46 2HB TRP 46 0.707 0.515 5.347 326 HD1 TRP 46 HD TRP 46 -0.062 1.033 8.676 327 HE1 TRP 46 1HE TRP 46 -1.552 -0.790 9.717 328 HE3 TRP 46 3HE TRP 46 -1.915 -1.045 4.389 329 HZ2 TRP 46 2HZ TRP 46 -3.284 -2.837 8.836 330 HZ3 TRP 46 3HZ TRP 46 -3.483 -2.933 4.576 331 HH2 TRP 46 HH TRP 46 -4.152 -3.808 6.754 332 H ILE 47 H ILE 47 2.818 1.685 5.668 333 HA ILE 47 HA ILE 47 3.076 3.884 3.723 334 HB ILE 47 HB ILE 47 5.363 2.692 5.288 335 HG12 ILE 47 1HG1 ILE 47 4.244 5.435 5.775 336 HG13 ILE 47 2HG1 ILE 47 3.543 4.039 6.587 337 HG21 ILE 47 1HG2 ILE 47 6.704 3.922 4.007 338 HG22 ILE 47 2HG2 ILE 47 5.315 4.197 2.957 339 HG23 ILE 47 3HG2 ILE 47 5.706 5.360 4.224 340 HD11 ILE 47 3HD1 ILE 47 6.386 4.999 6.774 341 HD12 ILE 47 1HD1 ILE 47 5.149 5.073 8.029 342 HD13 ILE 47 2HD1 ILE 47 5.778 3.512 7.502 343 H GLY 48 H GLY 48 3.960 3.414 1.745 344 HA2 GLY 48 1HA GLY 48 5.313 0.962 1.184 345 HA3 GLY 48 2HA GLY 48 3.644 0.914 0.636 346 H HIS 49 H HIS 49 4.938 0.588 -1.432 347 HA HIS 49 HA HIS 49 5.214 3.206 -2.725 348 HB2 HIS 49 1HB HIS 49 7.185 2.357 -3.991 349 HB3 HIS 49 2HB HIS 49 7.487 2.525 -2.264 350 HD1 HIS 49 1HD HIS 49 6.265 -0.293 -4.527 351 HD2 HIS 49 2HD HIS 49 8.831 0.389 -1.331 352 HE1 HIS 49 1HE HIS 49 7.320 -2.520 -4.026 353 HE2 HIS 49 2HE HIS 49 8.804 -2.101 -2.034 354 H ILE 50 H ILE 50 4.691 3.251 -4.925 355 HA ILE 50 HA ILE 50 2.647 1.554 -5.764 356 HB ILE 50 HB ILE 50 4.451 3.256 -7.489 357 HG12 ILE 50 1HG1 ILE 50 3.362 4.583 -5.771 358 HG13 ILE 50 2HG1 ILE 50 2.608 4.910 -7.327 359 HG21 ILE 50 1HG2 ILE 50 1.740 2.912 -8.421 360 HG22 ILE 50 2HG2 ILE 50 3.263 2.638 -9.264 361 HG23 ILE 50 3HG2 ILE 50 2.567 1.362 -8.266 362 HD11 ILE 50 3HD1 ILE 50 0.785 3.361 -6.721 363 HD12 ILE 50 1HD1 ILE 50 1.521 3.168 -5.131 364 HD13 ILE 50 2HD1 ILE 50 0.918 4.745 -5.638 365 H GLU 51 H GLU 51 2.770 -0.529 -6.251 366 HA GLU 51 HA GLU 51 4.840 -2.180 -6.531 367 HB2 GLU 51 1HB GLU 51 2.334 -2.683 -6.798 368 HB3 GLU 51 2HB GLU 51 2.585 -2.390 -8.513 369 HG2 GLU 51 1HG GLU 51 4.278 -4.169 -8.551 370 HG3 GLU 51 2HG GLU 51 3.966 -4.480 -6.844 371 H GLY 52 H GLY 52 3.444 -0.459 -9.331 372 HA2 GLY 52 1HA GLY 52 5.510 -1.285 -11.112 373 HA3 GLY 52 2HA GLY 52 4.323 -0.024 -11.413 374 H GLN 53 H GLN 53 4.918 1.706 -9.303 375 HA GLN 53 HA GLN 53 7.591 2.634 -10.112 376 HB2 GLN 53 1HB GLN 53 5.064 4.080 -9.407 377 HB3 GLN 53 2HB GLN 53 6.614 4.876 -9.167 378 HG2 GLN 53 1HG GLN 53 7.146 4.616 -11.513 379 HG3 GLN 53 2HG GLN 53 5.646 3.729 -11.776 380 HE21 GLN 53 1HE2 GLN 53 3.680 4.842 -11.722 381 HE22 GLN 53 2HE2 GLN 53 3.602 6.559 -11.894 382 HA PRO 54 HA PRO 54 8.289 1.506 -5.755 383 HB2 PRO 54 1HB PRO 54 10.965 1.168 -6.061 384 HB3 PRO 54 2HB PRO 54 9.786 -0.084 -6.469 385 HG2 PRO 54 1HG PRO 54 11.189 1.854 -8.267 386 HG3 PRO 54 2HG PRO 54 10.877 0.126 -8.511 387 HD2 PRO 54 1HD PRO 54 9.372 2.056 -9.670 388 HD3 PRO 54 2HD PRO 54 8.702 0.485 -9.184 389 H GLU 55 H GLU 55 10.277 3.684 -7.746 390 HA GLU 55 HA GLU 55 11.636 5.091 -5.847 391 HB2 GLU 55 1HB GLU 55 11.415 7.079 -7.397 392 HB3 GLU 55 2HB GLU 55 12.029 5.605 -8.130 393 HG2 GLU 55 1HG GLU 55 10.059 5.211 -9.296 394 HG3 GLU 55 2HG GLU 55 9.119 6.280 -8.256 395 H ARG 56 H ARG 56 8.232 5.076 -6.392 396 HA ARG 56 HA ARG 56 7.821 7.461 -4.754 397 HB2 ARG 56 1HB ARG 56 5.796 5.715 -6.168 398 HB3 ARG 56 2HB ARG 56 5.466 7.248 -5.371 399 HG2 ARG 56 1HG ARG 56 6.797 8.432 -6.988 400 HG3 ARG 56 2HG ARG 56 7.297 6.915 -7.736 401 HD2 ARG 56 1HD ARG 56 5.547 7.937 -9.053 402 HD3 ARG 56 2HD ARG 56 4.944 6.456 -8.310 403 HE ARG 56 HE ARG 56 4.269 8.483 -6.579 404 HH11 ARG 56 1HH1 ARG 56 3.631 7.695 -9.909 405 HH12 ARG 56 2HH1 ARG 56 2.080 8.464 -9.931 406 HH21 ARG 56 1HH2 ARG 56 2.227 9.500 -6.594 407 HH22 ARG 56 2HH2 ARG 56 1.282 9.493 -8.045 408 H LYS 57 H LYS 57 7.752 7.211 -2.628 409 HA LYS 57 HA LYS 57 6.204 5.007 -1.498 410 HB2 LYS 57 1HB LYS 57 7.976 4.525 0.161 411 HB3 LYS 57 2HB LYS 57 8.469 4.148 -1.485 412 HG2 LYS 57 1HG LYS 57 9.585 6.426 -1.515 413 HG3 LYS 57 2HG LYS 57 9.320 6.461 0.229 414 HD2 LYS 57 1HD LYS 57 10.720 4.607 0.588 415 HD3 LYS 57 2HD LYS 57 10.696 4.154 -1.118 416 HE2 LYS 57 1HE LYS 57 12.831 5.161 -0.516 417 HE3 LYS 57 2HE LYS 57 11.963 6.173 -1.669 418 HZ1 LYS 57 3HZ LYS 57 13.064 7.207 0.436 419 HZ2 LYS 57 1HZ LYS 57 11.638 6.703 1.198 420 HZ3 LYS 57 2HZ LYS 57 11.566 7.774 -0.109 421 H GLY 58 H GLY 58 4.784 5.847 -0.129 422 HA2 GLY 58 1HA GLY 58 5.597 7.820 1.824 423 HA3 GLY 58 2HA GLY 58 4.458 8.419 0.627 424 H VAL 59 H VAL 59 3.996 8.246 3.437 425 HA VAL 59 HA VAL 59 2.505 5.981 4.177 426 HB VAL 59 HB VAL 59 3.369 7.684 5.772 427 HG11 VAL 59 1HG1 VAL 59 1.287 9.519 5.909 428 HG12 VAL 59 2HG1 VAL 59 2.929 9.825 5.340 429 HG13 VAL 59 3HG1 VAL 59 1.660 9.400 4.190 430 HG21 VAL 59 3HG2 VAL 59 1.529 7.525 7.313 431 HG22 VAL 59 1HG2 VAL 59 0.393 7.253 5.991 432 HG23 VAL 59 2HG2 VAL 59 1.609 6.034 6.373 433 H PHE 60 H PHE 60 0.268 5.630 4.286 434 HA PHE 60 HA PHE 60 -1.532 7.483 2.971 435 HB2 PHE 60 1HB PHE 60 -2.363 5.768 1.377 436 HB3 PHE 60 2HB PHE 60 -0.699 6.247 1.059 437 HD1 PHE 60 2HD PHE 60 1.153 4.723 1.605 438 HD2 PHE 60 1HD PHE 60 -2.917 3.547 2.015 439 HE1 PHE 60 2HE PHE 60 1.848 2.365 1.693 440 HE2 PHE 60 1HE PHE 60 -2.228 1.186 2.105 441 HZ PHE 60 HZ PHE 60 0.156 0.592 1.944 442 HA PRO 61 HA PRO 61 -4.318 5.858 5.957 443 HB2 PRO 61 1HB PRO 61 -6.679 6.509 4.785 444 HB3 PRO 61 2HB PRO 61 -5.618 7.706 5.538 445 HG2 PRO 61 1HG PRO 61 -5.922 7.000 2.645 446 HG3 PRO 61 2HG PRO 61 -5.779 8.599 3.397 447 HD2 PRO 61 1HD PRO 61 -3.691 7.363 2.197 448 HD3 PRO 61 2HD PRO 61 -3.488 8.443 3.591 449 H VAL 62 H VAL 62 -4.700 3.763 6.271 450 HA VAL 62 HA VAL 62 -5.010 1.859 4.229 451 HB VAL 62 HB VAL 62 -5.828 1.599 7.126 452 HG11 VAL 62 1HG1 VAL 62 -6.488 -0.458 6.621 453 HG12 VAL 62 2HG1 VAL 62 -6.112 -0.168 4.921 454 HG13 VAL 62 3HG1 VAL 62 -4.880 -0.826 6.000 455 HG21 VAL 62 3HG2 VAL 62 -3.624 0.682 7.515 456 HG22 VAL 62 1HG2 VAL 62 -3.211 0.878 5.811 457 HG23 VAL 62 2HG2 VAL 62 -3.476 2.298 6.823 458 H SER 63 H SER 63 -7.325 3.766 6.016 459 HA SER 63 HA SER 63 -9.643 2.276 5.454 460 HB2 SER 63 1HB SER 63 -9.694 3.986 7.157 461 HB3 SER 63 2HB SER 63 -9.277 5.233 5.981 462 HG SER 63 HG SER 63 -11.278 4.866 4.974 463 H PHE 64 H PHE 64 -7.604 3.924 3.377 464 HA PHE 64 HA PHE 64 -9.713 4.503 1.429 465 HB2 PHE 64 1HB PHE 64 -6.879 5.386 1.770 466 HB3 PHE 64 2HB PHE 64 -7.575 5.395 0.153 467 HD1 PHE 64 2HD PHE 64 -9.107 6.209 3.446 468 HD2 PHE 64 1HD PHE 64 -7.920 7.611 -0.392 469 HE1 PHE 64 2HE PHE 64 -10.162 8.381 3.918 470 HE2 PHE 64 1HE PHE 64 -8.971 9.786 0.074 471 HZ PHE 64 HZ PHE 64 -10.095 10.173 2.231 472 H VAL 65 H VAL 65 -7.217 2.247 2.136 473 HA VAL 65 HA VAL 65 -7.481 1.056 -0.546 474 HB VAL 65 HB VAL 65 -5.353 0.048 -0.298 475 HG11 VAL 65 1HG1 VAL 65 -5.424 2.903 0.619 476 HG12 VAL 65 2HG1 VAL 65 -3.895 2.055 0.376 477 HG13 VAL 65 3HG1 VAL 65 -5.016 2.257 -0.971 478 HG21 VAL 65 3HG2 VAL 65 -5.580 0.833 2.595 479 HG22 VAL 65 1HG2 VAL 65 -5.366 -0.776 1.906 480 HG23 VAL 65 2HG2 VAL 65 -4.041 0.387 1.859 481 H HIS 66 H HIS 66 -7.352 -1.343 -0.602 482 HA HIS 66 HA HIS 66 -8.478 -2.602 1.802 483 HB2 HIS 66 1HB HIS 66 -10.284 -3.519 0.698 484 HB3 HIS 66 2HB HIS 66 -10.150 -1.973 -0.135 485 HD1 HIS 66 1HD HIS 66 -10.786 -5.301 -0.923 486 HD2 HIS 66 2HD HIS 66 -8.204 -2.463 -2.517 487 HE1 HIS 66 1HE HIS 66 -10.258 -6.102 -3.247 488 HE2 HIS 66 2HE HIS 66 -8.628 -4.414 -4.161 489 H ILE 67 H ILE 67 -7.292 -4.284 2.393 490 HA ILE 67 HA ILE 67 -5.103 -5.273 1.010 491 HB ILE 67 HB ILE 67 -6.756 -6.778 3.042 492 HG12 ILE 67 1HG1 ILE 67 -4.334 -5.022 3.485 493 HG13 ILE 67 2HG1 ILE 67 -5.993 -4.509 3.778 494 HG21 ILE 67 1HG2 ILE 67 -4.466 -7.521 1.530 495 HG22 ILE 67 2HG2 ILE 67 -3.988 -7.345 3.217 496 HG23 ILE 67 3HG2 ILE 67 -5.305 -8.434 2.784 497 HD11 ILE 67 3HD1 ILE 67 -5.376 -5.133 5.876 498 HD12 ILE 67 1HD1 ILE 67 -6.037 -6.657 5.287 499 HD13 ILE 67 2HD1 ILE 67 -4.292 -6.400 5.304 500 H LEU 68 H LEU 68 -4.946 -6.448 -0.773 501 HA LEU 68 HA LEU 68 -7.217 -7.662 -1.998 502 HB2 LEU 68 1HB LEU 68 -4.327 -8.083 -2.722 503 HB3 LEU 68 2HB LEU 68 -5.736 -8.288 -3.760 504 HG LEU 68 HG LEU 68 -5.049 -5.599 -2.630 505 HD11 LEU 68 1HD1 LEU 68 -3.015 -6.439 -3.700 506 HD12 LEU 68 2HD1 LEU 68 -3.740 -5.123 -4.622 507 HD13 LEU 68 3HD1 LEU 68 -3.932 -6.790 -5.165 508 HD21 LEU 68 3HD2 LEU 68 -6.071 -5.035 -4.951 509 HD22 LEU 68 1HD2 LEU 68 -7.132 -5.520 -3.628 510 HD23 LEU 68 2HD2 LEU 68 -6.695 -6.685 -4.879 511 H SER 69 H SER 69 -4.118 -9.127 -1.000 512 HA SER 69 HA SER 69 -5.329 -11.746 -0.911 513 HB2 SER 69 1HB SER 69 -2.977 -11.332 -1.701 514 HB3 SER 69 2HB SER 69 -2.545 -10.948 -0.035 515 HG SER 69 HG SER 69 -3.021 -13.385 -1.218 516 H ASP 70 H ASP 70 -6.601 -12.227 0.755 517 HA ASP 70 HA ASP 70 -5.655 -11.545 3.462 518 HB2 ASP 70 1HB ASP 70 -8.205 -11.636 4.007 519 HB3 ASP 70 2HB ASP 70 -7.528 -10.184 3.275 520 H SER 71 H SER 71 -5.948 -13.084 5.076 521 HA SER 71 HA SER 71 -5.883 -15.793 4.209 522 HB2 SER 71 1HB SER 71 -5.790 -14.413 6.866 523 HB3 SER 71 2HB SER 71 -6.051 -16.156 6.809 524 HG SER 71 HG SER 71 -3.769 -15.073 6.800 525 H GLY 72 H GLY 72 -7.293 -17.511 5.061 526 HA2 GLY 72 1HA GLY 72 -10.041 -16.879 4.558 527 HA3 GLY 72 2HA GLY 72 -9.398 -18.454 5.002 528 HA PRO 73 HA PRO 73 -11.746 -16.349 8.557 529 HB2 PRO 73 1HB PRO 73 -13.965 -17.912 8.517 530 HB3 PRO 73 2HB PRO 73 -13.834 -16.406 7.601 531 HG2 PRO 73 1HG PRO 73 -13.473 -19.228 6.669 532 HG3 PRO 73 2HG PRO 73 -14.323 -17.889 5.878 533 HD2 PRO 73 1HD PRO 73 -11.824 -18.651 5.167 534 HD3 PRO 73 2HD PRO 73 -12.375 -16.966 5.065 535 H SER 74 H SER 74 -10.297 -17.204 10.017 536 HA SER 74 HA SER 74 -9.634 -19.838 10.457 537 HB2 SER 74 1HB SER 74 -9.006 -19.154 12.747 538 HB3 SER 74 2HB SER 74 -8.471 -17.980 11.546 539 HG SER 74 HG SER 74 -10.033 -17.577 13.655 540 H SER 75 H SER 75 -12.198 -17.993 12.105 541 HA SER 75 HA SER 75 -13.425 -20.562 12.868 542 HB2 SER 75 1HB SER 75 -12.622 -19.165 14.780 543 HB3 SER 75 2HB SER 75 -13.747 -17.903 14.277 544 HG SER 75 HG SER 75 -15.315 -19.833 14.420 545 H GLY 76 H GLY 76 -15.268 -21.021 11.874 546 HA2 GLY 76 1HA GLY 76 -17.378 -20.734 10.978 547 HA3 GLY 76 2HA GLY 76 -17.310 -19.047 11.467 Start of MODEL 18 1 H1 GLY 1 H GLY 1 16.207 -17.740 5.453 2 HA2 GLY 1 1HA GLY 1 17.850 -17.557 7.563 3 HA3 GLY 1 2HA GLY 1 16.209 -18.161 7.738 4 H SER 2 H SER 2 18.737 -18.827 9.164 5 HA SER 2 HA SER 2 18.815 -21.714 8.576 6 HB2 SER 2 1HB SER 2 20.927 -19.781 9.409 7 HB3 SER 2 2HB SER 2 21.038 -21.432 10.020 8 HG SER 2 HG SER 2 20.834 -20.676 7.290 9 H SER 3 H SER 3 19.155 -19.392 11.258 10 HA SER 3 HA SER 3 18.712 -21.338 13.282 11 HB2 SER 3 1HB SER 3 19.924 -19.231 13.706 12 HB3 SER 3 2HB SER 3 18.436 -18.326 13.431 13 HG SER 3 HG SER 3 19.231 -19.200 15.701 14 H GLY 4 H GLY 4 16.637 -18.906 11.742 15 HA2 GLY 4 1HA GLY 4 14.315 -19.914 11.366 16 HA3 GLY 4 2HA GLY 4 14.320 -20.110 13.112 17 H SER 5 H SER 5 12.871 -18.704 13.869 18 HA SER 5 HA SER 5 11.676 -16.777 14.168 19 HB2 SER 5 1HB SER 5 14.544 -15.883 14.060 20 HB3 SER 5 2HB SER 5 13.252 -14.708 14.300 21 HG SER 5 HG SER 5 13.017 -15.394 16.273 22 H SER 6 H SER 6 11.490 -17.638 11.556 23 HA SER 6 HA SER 6 12.103 -15.563 9.692 24 HB2 SER 6 1HB SER 6 11.939 -17.753 8.792 25 HB3 SER 6 2HB SER 6 10.369 -18.029 9.546 26 HG SER 6 HG SER 6 10.867 -17.068 7.134 27 H GLY 7 H GLY 7 10.812 -13.973 8.855 28 HA2 GLY 7 1HA GLY 7 8.006 -13.805 9.372 29 HA3 GLY 7 2HA GLY 7 8.919 -12.735 10.425 30 H ASN 8 H ASN 8 9.118 -10.731 9.707 31 HA ASN 8 HA ASN 8 8.868 -8.940 8.287 32 HB2 ASN 8 1HB ASN 8 11.016 -10.679 7.121 33 HB3 ASN 8 2HB ASN 8 10.552 -9.192 6.298 34 HD21 ASN 8 1HD2 ASN 8 12.394 -8.062 6.648 35 HD22 ASN 8 2HD2 ASN 8 12.942 -7.573 8.211 36 H LYS 9 H LYS 9 6.680 -10.382 7.900 37 HA LYS 9 HA LYS 9 6.348 -11.225 5.174 38 HB2 LYS 9 1HB LYS 9 4.472 -10.875 7.501 39 HB3 LYS 9 2HB LYS 9 3.874 -11.257 5.891 40 HG2 LYS 9 1HG LYS 9 5.980 -12.933 7.206 41 HG3 LYS 9 2HG LYS 9 4.264 -13.181 7.532 42 HD2 LYS 9 1HD LYS 9 5.234 -13.048 4.707 43 HD3 LYS 9 2HD LYS 9 5.446 -14.533 5.636 44 HE2 LYS 9 1HE LYS 9 3.080 -14.699 6.015 45 HE3 LYS 9 2HE LYS 9 2.807 -13.117 5.286 46 HZ1 LYS 9 3HZ LYS 9 3.278 -15.688 4.015 47 HZ2 LYS 9 1HZ LYS 9 4.032 -14.358 3.289 48 HZ3 LYS 9 2HZ LYS 9 2.353 -14.372 3.490 49 H VAL 10 H VAL 10 5.521 -10.116 3.486 50 HA VAL 10 HA VAL 10 5.154 -7.246 3.835 51 HB VAL 10 HB VAL 10 5.422 -7.012 1.509 52 HG11 VAL 10 1HG1 VAL 10 7.287 -8.493 3.017 53 HG12 VAL 10 2HG1 VAL 10 7.266 -9.190 1.397 54 HG13 VAL 10 3HG1 VAL 10 7.590 -7.470 1.614 55 HG21 VAL 10 3HG2 VAL 10 5.324 -8.861 -0.079 56 HG22 VAL 10 1HG2 VAL 10 4.991 -9.987 1.237 57 HG23 VAL 10 2HG2 VAL 10 3.818 -8.735 0.828 58 H ARG 11 H ARG 11 3.324 -6.116 3.091 59 HA ARG 11 HA ARG 11 0.901 -7.776 2.847 60 HB2 ARG 11 1HB ARG 11 1.478 -5.295 4.375 61 HB3 ARG 11 2HB ARG 11 -0.114 -5.425 3.641 62 HG2 ARG 11 1HG ARG 11 -0.032 -7.813 4.790 63 HG3 ARG 11 2HG ARG 11 1.087 -6.969 5.862 64 HD2 ARG 11 1HD ARG 11 -0.648 -5.203 6.162 65 HD3 ARG 11 2HD ARG 11 -1.760 -6.206 5.231 66 HE ARG 11 HE ARG 11 -1.070 -6.524 7.968 67 HH11 ARG 11 1HH1 ARG 11 -1.868 -8.307 5.086 68 HH12 ARG 11 2HH1 ARG 11 -2.507 -9.667 5.948 69 HH21 ARG 11 1HH2 ARG 11 -1.910 -8.308 9.114 70 HH22 ARG 11 2HH2 ARG 11 -2.531 -9.667 8.239 71 H ARG 12 H ARG 12 -0.415 -7.464 1.142 72 HA ARG 12 HA ARG 12 0.304 -5.307 -0.731 73 HB2 ARG 12 1HB ARG 12 0.484 -7.888 -1.309 74 HB3 ARG 12 2HB ARG 12 -1.235 -7.702 -1.624 75 HG2 ARG 12 1HG ARG 12 -0.730 -5.901 -3.218 76 HG3 ARG 12 2HG ARG 12 0.992 -6.152 -2.927 77 HD2 ARG 12 1HD ARG 12 -0.656 -8.499 -3.709 78 HD3 ARG 12 2HD ARG 12 -0.275 -7.304 -4.949 79 HE ARG 12 HE ARG 12 2.126 -7.821 -3.797 80 HH11 ARG 12 1HH1 ARG 12 -0.358 -9.808 -5.208 81 HH12 ARG 12 2HH1 ARG 12 0.745 -11.032 -5.746 82 HH21 ARG 12 1HH2 ARG 12 3.588 -9.424 -4.501 83 HH22 ARG 12 2HH2 ARG 12 2.989 -10.812 -5.343 84 H VAL 13 H VAL 13 -1.192 -3.836 -1.239 85 HA VAL 13 HA VAL 13 -4.021 -4.442 -0.750 86 HB VAL 13 HB VAL 13 -4.350 -2.187 0.232 87 HG11 VAL 13 1HG1 VAL 13 -3.135 -4.476 1.458 88 HG12 VAL 13 2HG1 VAL 13 -2.606 -3.004 2.273 89 HG13 VAL 13 3HG1 VAL 13 -4.327 -3.357 2.119 90 HG21 VAL 13 3HG2 VAL 13 -2.443 -0.921 1.042 91 HG22 VAL 13 1HG2 VAL 13 -1.338 -2.121 0.372 92 HG23 VAL 13 2HG2 VAL 13 -2.330 -1.138 -0.704 93 H LYS 14 H LYS 14 -5.401 -2.527 -1.609 94 HA LYS 14 HA LYS 14 -4.201 -1.344 -4.007 95 HB2 LYS 14 1HB LYS 14 -5.264 -3.392 -4.775 96 HB3 LYS 14 2HB LYS 14 -6.760 -2.955 -3.962 97 HG2 LYS 14 1HG LYS 14 -6.575 -0.820 -5.493 98 HG3 LYS 14 2HG LYS 14 -5.588 -1.902 -6.480 99 HD2 LYS 14 1HD LYS 14 -7.620 -3.545 -6.068 100 HD3 LYS 14 2HD LYS 14 -8.490 -2.027 -5.832 101 HE2 LYS 14 1HE LYS 14 -7.300 -1.351 -8.064 102 HE3 LYS 14 2HE LYS 14 -7.152 -3.094 -8.279 103 HZ1 LYS 14 3HZ LYS 14 -9.755 -2.690 -7.517 104 HZ2 LYS 14 1HZ LYS 14 -9.205 -3.032 -9.080 105 HZ3 LYS 14 2HZ LYS 14 -9.439 -1.428 -8.598 106 H THR 15 H THR 15 -5.088 0.604 -4.642 107 HA THR 15 HA THR 15 -6.540 2.030 -2.610 108 HB THR 15 HB THR 15 -6.340 3.976 -4.121 109 HG1 THR 15 1HG THR 15 -6.408 3.113 -6.149 110 HG21 THR 15 3HG2 THR 15 -4.507 3.759 -2.682 111 HG22 THR 15 1HG2 THR 15 -3.770 3.913 -4.277 112 HG23 THR 15 2HG2 THR 15 -3.903 2.327 -3.516 113 H ILE 16 H ILE 16 -8.654 1.587 -2.423 114 HA ILE 16 HA ILE 16 -10.294 1.014 -4.729 115 HB ILE 16 HB ILE 16 -12.159 0.989 -2.996 116 HG12 ILE 16 1HG1 ILE 16 -9.847 1.000 -1.051 117 HG13 ILE 16 2HG1 ILE 16 -10.846 2.414 -1.367 118 HG21 ILE 16 1HG2 ILE 16 -11.665 -1.157 -3.393 119 HG22 ILE 16 2HG2 ILE 16 -9.928 -0.861 -3.356 120 HG23 ILE 16 3HG2 ILE 16 -10.815 -1.097 -1.850 121 HD11 ILE 16 3HD1 ILE 16 -11.341 0.828 0.652 122 HD12 ILE 16 1HD1 ILE 16 -12.656 1.543 -0.281 123 HD13 ILE 16 2HD1 ILE 16 -12.171 -0.127 -0.577 124 H TYR 17 H TYR 17 -9.246 3.802 -3.196 125 HA TYR 17 HA TYR 17 -11.361 5.360 -4.502 126 HB2 TYR 17 1HB TYR 17 -10.295 5.960 -1.736 127 HB3 TYR 17 2HB TYR 17 -11.526 6.871 -2.606 128 HD1 TYR 17 1HD TYR 17 -13.267 4.778 -3.656 129 HD2 TYR 17 2HD TYR 17 -11.344 5.060 0.129 130 HE1 TYR 17 1HE TYR 17 -15.019 3.363 -2.668 131 HE2 TYR 17 2HE TYR 17 -13.090 3.645 1.128 132 HH TYR 17 HH TYR 17 -15.953 2.727 -0.653 133 H ASP 18 H ASP 18 -10.748 7.539 -5.033 134 HA ASP 18 HA ASP 18 -7.939 7.723 -5.731 135 HB2 ASP 18 1HB ASP 18 -9.902 9.899 -6.329 136 HB3 ASP 18 2HB ASP 18 -8.551 9.315 -7.296 137 H CYS 19 H CYS 19 -6.481 9.134 -4.908 138 HA CYS 19 HA CYS 19 -7.398 11.143 -2.982 139 HB2 CYS 19 1HB CYS 19 -6.549 8.855 -1.969 140 HB3 CYS 19 2HB CYS 19 -4.965 9.547 -2.300 141 HG CYS 19 HG CYS 19 -6.655 11.872 -0.810 142 H GLN 20 H GLN 20 -5.470 12.562 -2.301 143 HA GLN 20 HA GLN 20 -3.454 12.831 -4.389 144 HB2 GLN 20 1HB GLN 20 -5.659 14.236 -4.800 145 HB3 GLN 20 2HB GLN 20 -4.920 15.317 -3.626 146 HG2 GLN 20 1HG GLN 20 -3.621 14.394 -6.179 147 HG3 GLN 20 2HG GLN 20 -4.438 15.941 -5.954 148 HE21 GLN 20 1HE2 GLN 20 -3.542 17.424 -4.410 149 HE22 GLN 20 2HE2 GLN 20 -1.848 17.399 -4.072 150 H ALA 21 H ALA 21 -1.565 13.077 -3.418 151 HA ALA 21 HA ALA 21 -1.490 14.168 -0.697 152 HB1 ALA 21 3HB ALA 21 -0.470 12.032 -0.824 153 HB2 ALA 21 1HB ALA 21 0.463 12.487 -2.250 154 HB3 ALA 21 2HB ALA 21 0.838 13.207 -0.684 155 H ASP 22 H ASP 22 -0.557 16.065 -0.236 156 HA ASP 22 HA ASP 22 0.544 17.621 -2.445 157 HB2 ASP 22 1HB ASP 22 -0.340 18.366 0.345 158 HB3 ASP 22 2HB ASP 22 0.441 19.504 -0.749 159 H ASN 23 H ASN 23 1.447 16.481 0.783 160 HA ASN 23 HA ASN 23 4.084 17.626 0.625 161 HB2 ASN 23 1HB ASN 23 2.783 15.738 2.592 162 HB3 ASN 23 2HB ASN 23 4.449 16.288 2.744 163 HD21 ASN 23 1HD2 ASN 23 4.386 18.873 2.146 164 HD22 ASN 23 2HD2 ASN 23 3.353 19.743 3.224 165 H ASP 24 H ASP 24 5.990 16.103 1.141 166 HA ASP 24 HA ASP 24 6.149 14.205 -1.015 167 HB2 ASP 24 1HB ASP 24 8.504 13.877 -0.113 168 HB3 ASP 24 2HB ASP 24 8.103 15.501 -0.661 169 H ASP 25 H ASP 25 5.893 14.095 2.478 170 HA ASP 25 HA ASP 25 6.537 11.388 2.865 171 HB2 ASP 25 1HB ASP 25 4.965 11.710 4.928 172 HB3 ASP 25 2HB ASP 25 6.479 12.604 4.839 173 H GLU 26 H GLU 26 3.439 12.986 2.225 174 HA GLU 26 HA GLU 26 1.930 10.557 2.334 175 HB2 GLU 26 1HB GLU 26 1.346 13.377 1.499 176 HB3 GLU 26 2HB GLU 26 0.202 12.096 1.121 177 HG2 GLU 26 1HG GLU 26 -0.348 11.745 3.318 178 HG3 GLU 26 2HG GLU 26 1.190 12.366 3.915 179 H LEU 27 H LEU 27 1.622 9.092 0.789 180 HA LEU 27 HA LEU 27 2.896 9.436 -1.775 181 HB2 LEU 27 1HB LEU 27 3.050 7.305 -0.640 182 HB3 LEU 27 2HB LEU 27 1.294 7.161 -0.617 183 HG LEU 27 HG LEU 27 1.360 7.071 -3.123 184 HD11 LEU 27 1HD1 LEU 27 3.915 7.968 -2.859 185 HD12 LEU 27 2HD1 LEU 27 3.260 7.195 -4.301 186 HD13 LEU 27 3HD1 LEU 27 4.168 6.243 -3.127 187 HD21 LEU 27 3HD2 LEU 27 1.982 5.075 -1.197 188 HD22 LEU 27 1HD2 LEU 27 2.922 4.754 -2.654 189 HD23 LEU 27 2HD2 LEU 27 1.167 4.893 -2.750 190 H THR 28 H THR 28 1.949 9.784 -3.710 191 HA THR 28 HA THR 28 -0.890 10.475 -3.687 192 HB THR 28 HB THR 28 1.052 10.887 -5.960 193 HG1 THR 28 1HG THR 28 0.357 12.962 -4.200 194 HG21 THR 28 3HG2 THR 28 -0.626 12.854 -6.284 195 HG22 THR 28 1HG2 THR 28 -1.695 11.870 -5.286 196 HG23 THR 28 2HG2 THR 28 -1.077 11.233 -6.811 197 H PHE 29 H PHE 29 -2.383 9.145 -4.463 198 HA PHE 29 HA PHE 29 -1.730 7.344 -6.663 199 HB2 PHE 29 1HB PHE 29 -2.746 5.412 -5.513 200 HB3 PHE 29 2HB PHE 29 -1.311 5.993 -4.675 201 HD1 PHE 29 2HD PHE 29 -4.980 5.824 -4.581 202 HD2 PHE 29 1HD PHE 29 -1.440 6.896 -2.476 203 HE1 PHE 29 2HE PHE 29 -6.281 6.019 -2.502 204 HE2 PHE 29 1HE PHE 29 -2.735 7.092 -0.392 205 HZ PHE 29 HZ PHE 29 -5.158 6.656 -0.404 206 H ILE 30 H ILE 30 -3.839 6.088 -7.277 207 HA ILE 30 HA ILE 30 -6.227 7.715 -6.854 208 HB ILE 30 HB ILE 30 -6.731 7.773 -9.266 209 HG12 ILE 30 1HG1 ILE 30 -3.879 7.123 -9.883 210 HG13 ILE 30 2HG1 ILE 30 -5.013 5.801 -9.631 211 HG21 ILE 30 1HG2 ILE 30 -4.074 9.055 -8.655 212 HG22 ILE 30 2HG2 ILE 30 -5.279 9.599 -9.822 213 HG23 ILE 30 3HG2 ILE 30 -5.629 9.670 -8.095 214 HD11 ILE 30 3HD1 ILE 30 -5.121 6.082 -11.900 215 HD12 ILE 30 1HD1 ILE 30 -6.462 7.094 -11.366 216 HD13 ILE 30 2HD1 ILE 30 -4.921 7.832 -11.804 217 H GLU 31 H GLU 31 -8.197 6.648 -7.416 218 HA GLU 31 HA GLU 31 -8.491 4.074 -6.606 219 HB2 GLU 31 1HB GLU 31 -10.371 5.602 -7.024 220 HB3 GLU 31 2HB GLU 31 -10.124 5.434 -8.757 221 HG2 GLU 31 1HG GLU 31 -10.445 2.890 -8.253 222 HG3 GLU 31 2HG GLU 31 -11.250 3.491 -6.805 223 H GLY 32 H GLY 32 -7.698 2.206 -7.294 224 HA2 GLY 32 1HA GLY 32 -7.592 0.482 -8.953 225 HA3 GLY 32 2HA GLY 32 -7.524 1.727 -10.191 226 H GLU 33 H GLU 33 -5.616 1.382 -7.217 227 HA GLU 33 HA GLU 33 -3.226 0.943 -8.867 228 HB2 GLU 33 1HB GLU 33 -3.544 2.997 -6.676 229 HB3 GLU 33 2HB GLU 33 -1.986 2.500 -7.322 230 HG2 GLU 33 1HG GLU 33 -4.207 3.731 -8.937 231 HG3 GLU 33 2HG GLU 33 -2.818 4.603 -8.292 232 H VAL 34 H VAL 34 -1.372 0.124 -7.613 233 HA VAL 34 HA VAL 34 -2.268 -1.478 -5.306 234 HB VAL 34 HB VAL 34 -0.140 -2.210 -7.321 235 HG11 VAL 34 1HG1 VAL 34 0.563 -3.370 -5.497 236 HG12 VAL 34 2HG1 VAL 34 -1.037 -3.389 -4.753 237 HG13 VAL 34 3HG1 VAL 34 -0.662 -4.500 -6.071 238 HG21 VAL 34 3HG2 VAL 34 -2.324 -2.340 -8.340 239 HG22 VAL 34 1HG2 VAL 34 -1.737 -3.970 -8.012 240 HG23 VAL 34 2HG2 VAL 34 -2.952 -3.242 -6.961 241 H ILE 35 H ILE 35 -1.056 -1.466 -3.483 242 HA ILE 35 HA ILE 35 1.474 0.042 -3.541 243 HB ILE 35 HB ILE 35 -0.598 0.140 -1.347 244 HG12 ILE 35 1HG1 ILE 35 0.292 2.445 -3.064 245 HG13 ILE 35 2HG1 ILE 35 -1.024 1.391 -3.570 246 HG21 ILE 35 1HG2 ILE 35 1.070 2.149 -0.780 247 HG22 ILE 35 2HG2 ILE 35 1.283 0.519 -0.143 248 HG23 ILE 35 3HG2 ILE 35 2.210 1.045 -1.548 249 HD11 ILE 35 3HD1 ILE 35 -2.044 3.221 -2.532 250 HD12 ILE 35 1HD1 ILE 35 -2.104 1.923 -1.340 251 HD13 ILE 35 2HD1 ILE 35 -0.902 3.205 -1.188 252 H ILE 36 H ILE 36 3.084 -0.613 -2.087 253 HA ILE 36 HA ILE 36 2.665 -3.297 -0.946 254 HB ILE 36 HB ILE 36 5.237 -2.065 -1.938 255 HG12 ILE 36 1HG1 ILE 36 3.509 -2.835 -3.651 256 HG13 ILE 36 2HG1 ILE 36 5.114 -3.544 -3.783 257 HG21 ILE 36 1HG2 ILE 36 6.321 -4.105 -1.391 258 HG22 ILE 36 2HG2 ILE 36 5.426 -3.602 0.042 259 HG23 ILE 36 3HG2 ILE 36 4.792 -4.885 -0.988 260 HD11 ILE 36 3HD1 ILE 36 4.401 -5.606 -3.000 261 HD12 ILE 36 1HD1 ILE 36 2.947 -4.932 -2.265 262 HD13 ILE 36 2HD1 ILE 36 3.066 -5.067 -4.020 263 H VAL 37 H VAL 37 2.307 -3.068 1.172 264 HA VAL 37 HA VAL 37 3.360 -0.935 2.738 265 HB VAL 37 HB VAL 37 2.204 -3.532 3.754 266 HG11 VAL 37 1HG1 VAL 37 2.797 -2.624 5.710 267 HG12 VAL 37 2HG1 VAL 37 3.079 -1.037 4.993 268 HG13 VAL 37 3HG1 VAL 37 1.446 -1.523 5.451 269 HG21 VAL 37 3HG2 VAL 37 0.039 -2.543 3.682 270 HG22 VAL 37 1HG2 VAL 37 0.701 -0.983 3.192 271 HG23 VAL 37 2HG2 VAL 37 0.749 -2.351 2.080 272 H THR 38 H THR 38 5.424 -0.762 3.290 273 HA THR 38 HA THR 38 6.886 -3.210 4.043 274 HB THR 38 HB THR 38 8.965 -2.083 3.294 275 HG1 THR 38 1HG THR 38 7.124 -0.049 2.726 276 HG21 THR 38 3HG2 THR 38 8.501 -3.397 1.538 277 HG22 THR 38 1HG2 THR 38 7.939 -1.928 0.743 278 HG23 THR 38 2HG2 THR 38 6.788 -2.979 1.568 279 H GLY 39 H GLY 39 6.046 0.062 4.826 280 HA2 GLY 39 1HA GLY 39 7.457 -0.255 7.399 281 HA3 GLY 39 2HA GLY 39 7.546 1.256 6.506 282 H GLU 40 H GLU 40 4.788 -0.903 7.098 283 HA GLU 40 HA GLU 40 2.837 0.956 7.406 284 HB2 GLU 40 1HB GLU 40 1.603 -0.655 8.742 285 HB3 GLU 40 2HB GLU 40 2.451 -1.478 7.441 286 HG2 GLU 40 1HG GLU 40 3.179 -1.407 10.354 287 HG3 GLU 40 2HG GLU 40 2.676 -2.799 9.396 288 H GLU 41 H GLU 41 2.350 2.536 8.787 289 HA GLU 41 HA GLU 41 4.070 2.991 11.070 290 HB2 GLU 41 1HB GLU 41 2.026 4.575 9.586 291 HB3 GLU 41 2HB GLU 41 2.376 5.028 11.247 292 HG2 GLU 41 1HG GLU 41 4.403 4.815 9.033 293 HG3 GLU 41 2HG GLU 41 3.695 6.310 9.639 294 H ASP 42 H ASP 42 0.530 3.239 10.749 295 HA ASP 42 HA ASP 42 0.286 1.820 13.319 296 HB2 ASP 42 1HB ASP 42 -1.350 4.199 12.408 297 HB3 ASP 42 2HB ASP 42 -1.594 3.298 13.903 298 H GLN 43 H GLN 43 -2.276 1.391 13.603 299 HA GLN 43 HA GLN 43 -2.893 -0.510 11.563 300 HB2 GLN 43 1HB GLN 43 -4.588 0.440 13.878 301 HB3 GLN 43 2HB GLN 43 -4.886 -0.992 12.902 302 HG2 GLN 43 1HG GLN 43 -3.888 -1.874 14.776 303 HG3 GLN 43 2HG GLN 43 -2.526 -1.712 13.668 304 HE21 GLN 43 1HE2 GLN 43 -1.469 -1.890 15.866 305 HE22 GLN 43 2HE2 GLN 43 -1.134 -0.406 16.683 306 H GLU 44 H GLU 44 -3.230 2.748 11.600 307 HA GLU 44 HA GLU 44 -5.635 2.663 9.899 308 HB2 GLU 44 1HB GLU 44 -4.617 4.902 11.655 309 HB3 GLU 44 2HB GLU 44 -5.944 5.066 10.514 310 HG2 GLU 44 1HG GLU 44 -5.856 3.284 12.936 311 HG3 GLU 44 2HG GLU 44 -6.818 4.746 12.726 312 H TRP 45 H TRP 45 -2.338 3.689 10.232 313 HA TRP 45 HA TRP 45 -2.406 4.674 7.455 314 HB2 TRP 45 1HB TRP 45 -0.822 5.755 9.792 315 HB3 TRP 45 2HB TRP 45 -0.506 6.193 8.115 316 HD1 TRP 45 HD TRP 45 -3.197 6.586 10.839 317 HE1 TRP 45 1HE TRP 45 -4.667 8.612 10.237 318 HE3 TRP 45 3HE TRP 45 -1.262 7.651 6.229 319 HZ2 TRP 45 2HZ TRP 45 -4.967 10.421 8.091 320 HZ3 TRP 45 3HZ TRP 45 -2.197 9.546 4.966 321 HH2 TRP 45 HH TRP 45 -4.011 10.900 5.880 322 H TRP 46 H TRP 46 -1.043 3.709 6.088 323 HA TRP 46 HA TRP 46 1.154 2.102 7.218 324 HB2 TRP 46 1HB TRP 46 -0.763 1.416 4.993 325 HB3 TRP 46 2HB TRP 46 0.776 0.584 5.197 326 HD1 TRP 46 HD TRP 46 0.165 0.913 8.584 327 HE1 TRP 46 1HE TRP 46 -1.255 -0.980 9.594 328 HE3 TRP 46 3HE TRP 46 -1.874 -0.957 4.284 329 HZ2 TRP 46 2HZ TRP 46 -3.007 -3.000 8.690 330 HZ3 TRP 46 3HZ TRP 46 -3.412 -2.870 4.444 331 HH2 TRP 46 HH TRP 46 -3.966 -3.869 6.602 332 H ILE 47 H ILE 47 2.918 1.665 5.649 333 HA ILE 47 HA ILE 47 3.241 3.888 3.741 334 HB ILE 47 HB ILE 47 5.465 2.677 5.384 335 HG12 ILE 47 1HG1 ILE 47 4.049 5.326 5.759 336 HG13 ILE 47 2HG1 ILE 47 3.864 3.920 6.801 337 HG21 ILE 47 1HG2 ILE 47 5.577 4.068 3.018 338 HG22 ILE 47 2HG2 ILE 47 5.836 5.325 4.227 339 HG23 ILE 47 3HG2 ILE 47 6.890 3.912 4.186 340 HD11 ILE 47 3HD1 ILE 47 5.511 5.903 7.378 341 HD12 ILE 47 1HD1 ILE 47 5.873 4.231 7.805 342 HD13 ILE 47 2HD1 ILE 47 6.604 4.954 6.372 343 H GLY 48 H GLY 48 3.740 3.316 1.722 344 HA2 GLY 48 1HA GLY 48 5.291 0.944 1.160 345 HA3 GLY 48 2HA GLY 48 3.607 0.826 0.670 346 H HIS 49 H HIS 49 5.307 0.540 -1.309 347 HA HIS 49 HA HIS 49 5.283 3.142 -2.692 348 HB2 HIS 49 1HB HIS 49 7.263 2.285 -3.991 349 HB3 HIS 49 2HB HIS 49 7.580 2.609 -2.289 350 HD1 HIS 49 1HD HIS 49 6.282 -0.487 -4.097 351 HD2 HIS 49 2HD HIS 49 9.230 0.670 -1.407 352 HE1 HIS 49 1HE HIS 49 7.501 -2.600 -3.485 353 HE2 HIS 49 2HE HIS 49 9.225 -1.887 -1.793 354 H ILE 50 H ILE 50 4.597 3.176 -4.810 355 HA ILE 50 HA ILE 50 2.666 1.369 -5.625 356 HB ILE 50 HB ILE 50 4.351 3.155 -7.384 357 HG12 ILE 50 1HG1 ILE 50 3.204 4.422 -5.657 358 HG13 ILE 50 2HG1 ILE 50 2.416 4.700 -7.207 359 HG21 ILE 50 1HG2 ILE 50 2.686 1.148 -8.205 360 HG22 ILE 50 2HG2 ILE 50 1.617 2.550 -8.214 361 HG23 ILE 50 3HG2 ILE 50 3.110 2.573 -9.152 362 HD11 ILE 50 3HD1 ILE 50 1.022 2.572 -6.177 363 HD12 ILE 50 1HD1 ILE 50 1.363 3.560 -4.757 364 HD13 ILE 50 2HD1 ILE 50 0.520 4.263 -6.138 365 H GLU 51 H GLU 51 2.865 -0.705 -6.127 366 HA GLU 51 HA GLU 51 4.998 -2.268 -6.434 367 HB2 GLU 51 1HB GLU 51 2.481 -2.831 -6.702 368 HB3 GLU 51 2HB GLU 51 2.771 -2.603 -8.421 369 HG2 GLU 51 1HG GLU 51 4.163 -4.581 -6.630 370 HG3 GLU 51 2HG GLU 51 2.917 -4.944 -7.823 371 H GLY 52 H GLY 52 3.542 -0.488 -9.157 372 HA2 GLY 52 1HA GLY 52 5.604 -1.263 -10.988 373 HA3 GLY 52 2HA GLY 52 4.362 -0.051 -11.270 374 H GLN 53 H GLN 53 4.848 1.766 -9.283 375 HA GLN 53 HA GLN 53 7.486 2.789 -10.074 376 HB2 GLN 53 1HB GLN 53 4.884 4.079 -9.406 377 HB3 GLN 53 2HB GLN 53 6.360 4.957 -9.027 378 HG2 GLN 53 1HG GLN 53 5.676 5.686 -11.158 379 HG3 GLN 53 2HG GLN 53 7.052 4.615 -11.417 380 HE21 GLN 53 1HE2 GLN 53 3.621 5.017 -11.767 381 HE22 GLN 53 2HE2 GLN 53 3.369 3.688 -12.842 382 HA PRO 54 HA PRO 54 8.366 1.689 -5.755 383 HB2 PRO 54 1HB PRO 54 11.055 1.605 -6.111 384 HB3 PRO 54 2HB PRO 54 9.989 0.258 -6.528 385 HG2 PRO 54 1HG PRO 54 11.176 2.355 -8.305 386 HG3 PRO 54 2HG PRO 54 11.019 0.610 -8.582 387 HD2 PRO 54 1HD PRO 54 9.323 2.417 -9.674 388 HD3 PRO 54 2HD PRO 54 8.809 0.780 -9.212 389 H GLU 55 H GLU 55 10.147 4.064 -7.720 390 HA GLU 55 HA GLU 55 11.363 5.553 -5.774 391 HB2 GLU 55 1HB GLU 55 11.131 7.501 -7.309 392 HB3 GLU 55 2HB GLU 55 11.723 6.046 -8.100 393 HG2 GLU 55 1HG GLU 55 9.708 5.683 -9.212 394 HG3 GLU 55 2HG GLU 55 8.816 6.759 -8.138 395 H ARG 56 H ARG 56 7.982 5.317 -6.455 396 HA ARG 56 HA ARG 56 7.330 7.657 -4.848 397 HB2 ARG 56 1HB ARG 56 5.547 5.689 -6.294 398 HB3 ARG 56 2HB ARG 56 4.990 7.130 -5.454 399 HG2 ARG 56 1HG ARG 56 6.162 8.547 -7.004 400 HG3 ARG 56 2HG ARG 56 6.885 7.143 -7.792 401 HD2 ARG 56 1HD ARG 56 5.064 7.865 -9.147 402 HD3 ARG 56 2HD ARG 56 4.570 6.373 -8.347 403 HE ARG 56 HE ARG 56 3.620 8.255 -6.683 404 HH11 ARG 56 1HH1 ARG 56 3.390 7.848 -10.133 405 HH12 ARG 56 2HH1 ARG 56 1.845 8.622 -10.252 406 HH21 ARG 56 1HH2 ARG 56 1.585 9.276 -6.827 407 HH22 ARG 56 2HH2 ARG 56 0.819 9.435 -8.371 408 H LYS 57 H LYS 57 7.524 7.348 -2.718 409 HA LYS 57 HA LYS 57 6.021 5.145 -1.513 410 HB2 LYS 57 1HB LYS 57 7.853 4.647 0.044 411 HB3 LYS 57 2HB LYS 57 8.324 4.346 -1.622 412 HG2 LYS 57 1HG LYS 57 9.340 6.696 -1.559 413 HG3 LYS 57 2HG LYS 57 9.172 6.572 0.193 414 HD2 LYS 57 1HD LYS 57 11.302 5.761 -0.089 415 HD3 LYS 57 2HD LYS 57 10.371 4.264 -0.176 416 HE2 LYS 57 1HE LYS 57 11.927 4.217 -1.969 417 HE3 LYS 57 2HE LYS 57 10.345 4.546 -2.672 418 HZ1 LYS 57 3HZ LYS 57 12.017 5.976 -3.635 419 HZ2 LYS 57 1HZ LYS 57 12.454 6.559 -2.108 420 HZ3 LYS 57 2HZ LYS 57 10.923 6.903 -2.738 421 H GLY 58 H GLY 58 4.594 6.065 -0.201 422 HA2 GLY 58 1HA GLY 58 5.473 7.978 1.786 423 HA3 GLY 58 2HA GLY 58 4.351 8.628 0.599 424 H VAL 59 H VAL 59 4.157 8.083 3.557 425 HA VAL 59 HA VAL 59 2.511 5.969 4.190 426 HB VAL 59 HB VAL 59 3.385 7.424 5.912 427 HG11 VAL 59 1HG1 VAL 59 1.568 9.513 4.721 428 HG12 VAL 59 2HG1 VAL 59 2.375 9.670 6.282 429 HG13 VAL 59 3HG1 VAL 59 3.330 9.549 4.804 430 HG21 VAL 59 3HG2 VAL 59 1.709 6.790 7.226 431 HG22 VAL 59 1HG2 VAL 59 0.675 8.060 6.573 432 HG23 VAL 59 2HG2 VAL 59 0.735 6.481 5.789 433 H PHE 60 H PHE 60 0.330 5.561 4.149 434 HA PHE 60 HA PHE 60 -1.470 7.547 3.006 435 HB2 PHE 60 1HB PHE 60 -2.354 5.907 1.355 436 HB3 PHE 60 2HB PHE 60 -0.692 6.385 1.031 437 HD1 PHE 60 2HD PHE 60 1.156 4.826 1.478 438 HD2 PHE 60 1HD PHE 60 -2.916 3.663 1.910 439 HE1 PHE 60 2HE PHE 60 1.833 2.461 1.455 440 HE2 PHE 60 1HE PHE 60 -2.245 1.296 1.887 441 HZ PHE 60 HZ PHE 60 0.132 0.692 1.658 442 HA PRO 61 HA PRO 61 -4.309 5.853 5.897 443 HB2 PRO 61 1HB PRO 61 -6.664 6.455 4.685 444 HB3 PRO 61 2HB PRO 61 -5.640 7.674 5.455 445 HG2 PRO 61 1HG PRO 61 -5.882 6.959 2.559 446 HG3 PRO 61 2HG PRO 61 -5.785 8.561 3.311 447 HD2 PRO 61 1HD PRO 61 -3.652 7.368 2.145 448 HD3 PRO 61 2HD PRO 61 -3.494 8.453 3.542 449 H VAL 62 H VAL 62 -4.681 3.758 6.217 450 HA VAL 62 HA VAL 62 -4.880 1.827 4.197 451 HB VAL 62 HB VAL 62 -5.823 1.625 7.061 452 HG11 VAL 62 1HG1 VAL 62 -6.640 -0.349 6.430 453 HG12 VAL 62 2HG1 VAL 62 -5.882 -0.240 4.840 454 HG13 VAL 62 3HG1 VAL 62 -4.967 -0.865 6.213 455 HG21 VAL 62 3HG2 VAL 62 -3.637 0.590 7.476 456 HG22 VAL 62 1HG2 VAL 62 -3.174 0.912 5.804 457 HG23 VAL 62 2HG2 VAL 62 -3.475 2.252 6.911 458 H SER 63 H SER 63 -7.347 3.600 5.973 459 HA SER 63 HA SER 63 -9.598 2.125 5.281 460 HB2 SER 63 1HB SER 63 -9.795 3.876 6.909 461 HB3 SER 63 2HB SER 63 -9.264 5.094 5.749 462 HG SER 63 HG SER 63 -11.516 5.138 5.964 463 H PHE 64 H PHE 64 -7.654 4.264 3.369 464 HA PHE 64 HA PHE 64 -9.598 4.652 1.293 465 HB2 PHE 64 1HB PHE 64 -6.715 5.333 1.675 466 HB3 PHE 64 2HB PHE 64 -7.374 5.355 0.043 467 HD1 PHE 64 2HD PHE 64 -8.432 6.520 3.432 468 HD2 PHE 64 1HD PHE 64 -8.023 7.412 -0.710 469 HE1 PHE 64 2HE PHE 64 -9.334 8.774 3.832 470 HE2 PHE 64 1HE PHE 64 -8.923 9.667 -0.316 471 HZ PHE 64 HZ PHE 64 -9.580 10.351 1.956 472 H VAL 65 H VAL 65 -7.019 2.390 1.956 473 HA VAL 65 HA VAL 65 -7.452 1.099 -0.650 474 HB VAL 65 HB VAL 65 -5.364 -0.008 -0.384 475 HG11 VAL 65 1HG1 VAL 65 -3.797 1.911 0.001 476 HG12 VAL 65 2HG1 VAL 65 -5.091 2.231 -1.157 477 HG13 VAL 65 3HG1 VAL 65 -5.196 2.871 0.484 478 HG21 VAL 65 3HG2 VAL 65 -3.993 0.314 1.695 479 HG22 VAL 65 1HG2 VAL 65 -5.429 1.003 2.453 480 HG23 VAL 65 2HG2 VAL 65 -5.440 -0.673 1.904 481 H HIS 66 H HIS 66 -7.226 -1.360 -0.561 482 HA HIS 66 HA HIS 66 -8.408 -2.504 1.861 483 HB2 HIS 66 1HB HIS 66 -10.243 -3.463 0.788 484 HB3 HIS 66 2HB HIS 66 -10.157 -1.867 0.049 485 HD1 HIS 66 1HD HIS 66 -10.989 -5.007 -0.991 486 HD2 HIS 66 2HD HIS 66 -8.130 -2.326 -2.369 487 HE1 HIS 66 1HE HIS 66 -10.514 -5.691 -3.364 488 HE2 HIS 66 2HE HIS 66 -8.720 -4.107 -4.149 489 H ILE 67 H ILE 67 -7.287 -4.230 2.451 490 HA ILE 67 HA ILE 67 -5.163 -5.315 1.033 491 HB ILE 67 HB ILE 67 -6.818 -6.722 3.133 492 HG12 ILE 67 1HG1 ILE 67 -4.368 -4.969 3.425 493 HG13 ILE 67 2HG1 ILE 67 -6.006 -4.524 3.890 494 HG21 ILE 67 1HG2 ILE 67 -3.912 -7.201 2.782 495 HG22 ILE 67 2HG2 ILE 67 -5.186 -8.298 3.312 496 HG23 ILE 67 3HG2 ILE 67 -5.009 -7.914 1.600 497 HD11 ILE 67 3HD1 ILE 67 -5.040 -7.018 5.080 498 HD12 ILE 67 1HD1 ILE 67 -4.150 -5.572 5.558 499 HD13 ILE 67 2HD1 ILE 67 -5.893 -5.659 5.812 500 H LEU 68 H LEU 68 -5.096 -6.519 -0.735 501 HA LEU 68 HA LEU 68 -7.428 -7.658 -1.899 502 HB2 LEU 68 1HB LEU 68 -4.546 -8.169 -2.613 503 HB3 LEU 68 2HB LEU 68 -5.954 -8.470 -3.630 504 HG LEU 68 HG LEU 68 -5.313 -5.695 -2.700 505 HD11 LEU 68 1HD1 LEU 68 -3.876 -5.306 -4.517 506 HD12 LEU 68 2HD1 LEU 68 -4.255 -6.860 -5.258 507 HD13 LEU 68 3HD1 LEU 68 -3.296 -6.799 -3.778 508 HD21 LEU 68 3HD2 LEU 68 -6.794 -6.896 -5.031 509 HD22 LEU 68 1HD2 LEU 68 -6.407 -5.180 -4.899 510 HD23 LEU 68 2HD2 LEU 68 -7.456 -5.942 -3.703 511 H SER 69 H SER 69 -8.380 -9.455 -1.226 512 HA SER 69 HA SER 69 -7.472 -11.272 0.608 513 HB2 SER 69 1HB SER 69 -9.307 -11.881 -1.723 514 HB3 SER 69 2HB SER 69 -9.182 -12.815 -0.232 515 HG SER 69 HG SER 69 -9.922 -10.975 0.896 516 H ASP 70 H ASP 70 -6.261 -13.098 0.618 517 HA ASP 70 HA ASP 70 -5.146 -14.026 -1.939 518 HB2 ASP 70 1HB ASP 70 -2.963 -14.392 -0.686 519 HB3 ASP 70 2HB ASP 70 -3.381 -12.718 -1.041 520 H SER 71 H SER 71 -3.818 -16.155 -1.438 521 HA SER 71 HA SER 71 -5.744 -18.003 -0.365 522 HB2 SER 71 1HB SER 71 -3.183 -18.207 -1.872 523 HB3 SER 71 2HB SER 71 -3.681 -19.607 -0.922 524 HG SER 71 HG SER 71 -4.897 -18.439 -3.155 525 H GLY 72 H GLY 72 -5.769 -17.370 1.852 526 HA2 GLY 72 1HA GLY 72 -3.394 -17.506 3.453 527 HA3 GLY 72 2HA GLY 72 -5.042 -17.351 4.044 528 HA PRO 73 HA PRO 73 -3.576 -21.535 5.288 529 HB2 PRO 73 1HB PRO 73 -4.763 -21.462 7.728 530 HB3 PRO 73 2HB PRO 73 -3.161 -20.781 7.419 531 HG2 PRO 73 1HG PRO 73 -5.808 -19.393 7.585 532 HG3 PRO 73 2HG PRO 73 -4.243 -18.902 8.258 533 HD2 PRO 73 1HD PRO 73 -5.237 -17.850 5.971 534 HD3 PRO 73 2HD PRO 73 -3.496 -18.064 6.245 535 H SER 74 H SER 74 -4.989 -23.336 6.298 536 HA SER 74 HA SER 74 -7.190 -23.779 4.599 537 HB2 SER 74 1HB SER 74 -7.603 -25.782 6.021 538 HB3 SER 74 2HB SER 74 -5.921 -25.641 5.507 539 HG SER 74 HG SER 74 -6.800 -24.605 7.981 540 H SER 75 H SER 75 -9.414 -24.309 5.352 541 HA SER 75 HA SER 75 -10.701 -22.126 6.427 542 HB2 SER 75 1HB SER 75 -12.635 -23.697 6.820 543 HB3 SER 75 2HB SER 75 -11.956 -23.758 5.193 544 HG SER 75 HG SER 75 -12.297 -25.767 6.812 545 H GLY 76 H GLY 76 -11.633 -21.649 8.441 546 HA2 GLY 76 1HA GLY 76 -10.029 -22.324 10.686 547 HA3 GLY 76 2HA GLY 76 -11.525 -21.401 10.724 Start of MODEL 19 1 H1 GLY 1 H GLY 1 4.879 -28.351 -7.715 2 HA2 GLY 1 1HA GLY 1 5.124 -27.062 -5.802 3 HA3 GLY 1 2HA GLY 1 6.806 -27.509 -6.042 4 H SER 2 H SER 2 6.229 -25.190 -4.746 5 HA SER 2 HA SER 2 7.663 -23.280 -6.238 6 HB2 SER 2 1HB SER 2 5.902 -21.573 -6.536 7 HB3 SER 2 2HB SER 2 5.571 -23.023 -7.482 8 HG SER 2 HG SER 2 4.500 -22.736 -4.896 9 H SER 3 H SER 3 8.544 -21.809 -4.893 10 HA SER 3 HA SER 3 7.544 -21.769 -2.125 11 HB2 SER 3 1HB SER 3 9.785 -21.266 -1.412 12 HB3 SER 3 2HB SER 3 9.874 -22.635 -2.520 13 HG SER 3 HG SER 3 11.183 -20.387 -2.703 14 H GLY 4 H GLY 4 6.907 -19.902 -1.214 15 HA2 GLY 4 1HA GLY 4 7.260 -17.443 -2.814 16 HA3 GLY 4 2HA GLY 4 5.833 -17.783 -1.845 17 H SER 5 H SER 5 5.744 -16.910 0.116 18 HA SER 5 HA SER 5 8.173 -15.666 1.179 19 HB2 SER 5 1HB SER 5 6.746 -14.246 2.466 20 HB3 SER 5 2HB SER 5 6.038 -14.334 0.853 21 HG SER 5 HG SER 5 4.557 -15.854 1.646 22 H SER 6 H SER 6 8.420 -15.680 3.586 23 HA SER 6 HA SER 6 7.220 -17.708 5.159 24 HB2 SER 6 1HB SER 6 8.487 -19.284 3.881 25 HB3 SER 6 2HB SER 6 9.943 -18.297 3.988 26 HG SER 6 HG SER 6 10.378 -19.269 5.786 27 H GLY 7 H GLY 7 7.476 -17.205 7.252 28 HA2 GLY 7 1HA GLY 7 8.375 -16.301 9.174 29 HA3 GLY 7 2HA GLY 7 9.880 -16.058 8.300 30 H ASN 8 H ASN 8 9.651 -14.264 6.538 31 HA ASN 8 HA ASN 8 8.179 -12.002 7.723 32 HB2 ASN 8 1HB ASN 8 10.782 -11.629 6.270 33 HB3 ASN 8 2HB ASN 8 9.999 -10.560 7.431 34 HD21 ASN 8 1HD2 ASN 8 12.611 -12.334 7.078 35 HD22 ASN 8 2HD2 ASN 8 12.866 -12.891 8.694 36 H LYS 9 H LYS 9 6.719 -11.180 6.394 37 HA LYS 9 HA LYS 9 7.273 -11.110 3.516 38 HB2 LYS 9 1HB LYS 9 5.090 -11.925 2.946 39 HB3 LYS 9 2HB LYS 9 5.833 -13.086 4.039 40 HG2 LYS 9 1HG LYS 9 4.066 -10.966 5.161 41 HG3 LYS 9 2HG LYS 9 3.345 -12.358 4.351 42 HD2 LYS 9 1HD LYS 9 4.882 -13.762 5.874 43 HD3 LYS 9 2HD LYS 9 5.042 -12.283 6.823 44 HE2 LYS 9 1HE LYS 9 2.344 -13.338 6.061 45 HE3 LYS 9 2HE LYS 9 3.204 -13.987 7.455 46 HZ1 LYS 9 3HZ LYS 9 1.786 -12.256 8.208 47 HZ2 LYS 9 1HZ LYS 9 2.344 -11.181 7.027 48 HZ3 LYS 9 2HZ LYS 9 3.368 -11.663 8.283 49 H VAL 10 H VAL 10 5.572 -9.715 2.375 50 HA VAL 10 HA VAL 10 5.115 -7.325 4.028 51 HB VAL 10 HB VAL 10 5.186 -6.007 2.032 52 HG11 VAL 10 1HG1 VAL 10 7.340 -7.252 3.061 53 HG12 VAL 10 2HG1 VAL 10 7.446 -7.784 1.382 54 HG13 VAL 10 3HG1 VAL 10 7.425 -6.062 1.763 55 HG21 VAL 10 3HG2 VAL 10 3.993 -7.678 0.606 56 HG22 VAL 10 1HG2 VAL 10 5.368 -6.900 -0.180 57 HG23 VAL 10 2HG2 VAL 10 5.521 -8.544 0.438 58 H ARG 11 H ARG 11 3.239 -5.938 3.139 59 HA ARG 11 HA ARG 11 0.914 -7.712 2.808 60 HB2 ARG 11 1HB ARG 11 1.246 -6.071 4.841 61 HB3 ARG 11 2HB ARG 11 0.660 -4.870 3.698 62 HG2 ARG 11 1HG ARG 11 -1.432 -5.874 3.524 63 HG3 ARG 11 2HG ARG 11 -0.851 -7.409 4.174 64 HD2 ARG 11 1HD ARG 11 -0.339 -5.935 6.293 65 HD3 ARG 11 2HD ARG 11 -1.575 -4.889 5.591 66 HE ARG 11 HE ARG 11 -3.129 -6.374 6.330 67 HH11 ARG 11 1HH1 ARG 11 -0.105 -8.058 5.950 68 HH12 ARG 11 2HH1 ARG 11 -0.716 -9.561 6.558 69 HH21 ARG 11 1HH2 ARG 11 -3.945 -8.347 7.132 70 HH22 ARG 11 2HH2 ARG 11 -2.900 -9.725 7.229 71 H ARG 12 H ARG 12 -0.333 -7.544 1.048 72 HA ARG 12 HA ARG 12 0.297 -5.402 -0.864 73 HB2 ARG 12 1HB ARG 12 -0.537 -8.243 -1.146 74 HB3 ARG 12 2HB ARG 12 -1.108 -7.110 -2.363 75 HG2 ARG 12 1HG ARG 12 1.373 -6.404 -2.530 76 HG3 ARG 12 2HG ARG 12 1.689 -7.942 -1.725 77 HD2 ARG 12 1HD ARG 12 0.643 -9.163 -3.487 78 HD3 ARG 12 2HD ARG 12 0.036 -7.683 -4.227 79 HE ARG 12 HE ARG 12 2.744 -7.370 -4.211 80 HH11 ARG 12 1HH1 ARG 12 0.557 -9.786 -5.436 81 HH12 ARG 12 2HH1 ARG 12 1.588 -10.239 -6.754 82 HH21 ARG 12 1HH2 ARG 12 4.110 -7.957 -5.941 83 HH22 ARG 12 2HH2 ARG 12 3.608 -9.199 -7.039 84 H VAL 13 H VAL 13 -1.170 -3.890 -1.303 85 HA VAL 13 HA VAL 13 -4.005 -4.452 -0.786 86 HB VAL 13 HB VAL 13 -4.239 -2.119 0.126 87 HG11 VAL 13 1HG1 VAL 13 -4.385 -3.248 2.032 88 HG12 VAL 13 2HG1 VAL 13 -3.311 -4.500 1.407 89 HG13 VAL 13 3HG1 VAL 13 -2.640 -3.094 2.232 90 HG21 VAL 13 3HG2 VAL 13 -1.244 -2.308 0.056 91 HG22 VAL 13 1HG2 VAL 13 -2.286 -1.019 -0.547 92 HG23 VAL 13 2HG2 VAL 13 -2.081 -1.248 1.189 93 H LYS 14 H LYS 14 -5.442 -2.784 -1.774 94 HA LYS 14 HA LYS 14 -4.237 -1.517 -4.137 95 HB2 LYS 14 1HB LYS 14 -5.199 -3.540 -4.980 96 HB3 LYS 14 2HB LYS 14 -6.681 -3.287 -4.066 97 HG2 LYS 14 1HG LYS 14 -6.769 -1.076 -5.511 98 HG3 LYS 14 2HG LYS 14 -5.774 -2.043 -6.602 99 HD2 LYS 14 1HD LYS 14 -8.225 -3.289 -5.469 100 HD3 LYS 14 2HD LYS 14 -8.422 -2.067 -6.729 101 HE2 LYS 14 1HE LYS 14 -7.425 -3.361 -8.329 102 HE3 LYS 14 2HE LYS 14 -6.415 -4.216 -7.165 103 HZ1 LYS 14 3HZ LYS 14 -8.219 -5.572 -8.186 104 HZ2 LYS 14 1HZ LYS 14 -9.347 -4.606 -7.377 105 HZ3 LYS 14 2HZ LYS 14 -8.248 -5.539 -6.495 106 H THR 15 H THR 15 -5.024 0.464 -4.651 107 HA THR 15 HA THR 15 -6.644 1.802 -2.699 108 HB THR 15 HB THR 15 -6.271 3.810 -3.959 109 HG1 THR 15 1HG THR 15 -6.608 3.083 -6.061 110 HG21 THR 15 3HG2 THR 15 -3.940 1.953 -3.703 111 HG22 THR 15 1HG2 THR 15 -4.330 3.393 -2.765 112 HG23 THR 15 2HG2 THR 15 -3.713 3.553 -4.409 113 H ILE 16 H ILE 16 -8.784 1.921 -2.680 114 HA ILE 16 HA ILE 16 -10.258 1.279 -5.136 115 HB ILE 16 HB ILE 16 -12.201 0.900 -3.670 116 HG12 ILE 16 1HG1 ILE 16 -11.225 2.513 -1.883 117 HG13 ILE 16 2HG1 ILE 16 -12.139 1.108 -1.346 118 HG21 ILE 16 1HG2 ILE 16 -10.948 -1.018 -2.289 119 HG22 ILE 16 2HG2 ILE 16 -11.251 -1.125 -4.023 120 HG23 ILE 16 3HG2 ILE 16 -9.670 -0.610 -3.435 121 HD11 ILE 16 3HD1 ILE 16 -9.351 0.463 -1.603 122 HD12 ILE 16 1HD1 ILE 16 -9.581 1.865 -0.560 123 HD13 ILE 16 2HD1 ILE 16 -10.410 0.351 -0.198 124 H TYR 17 H TYR 17 -9.179 3.933 -3.592 125 HA TYR 17 HA TYR 17 -11.360 5.570 -4.659 126 HB2 TYR 17 1HB TYR 17 -10.154 5.951 -1.910 127 HB3 TYR 17 2HB TYR 17 -11.334 7.014 -2.670 128 HD1 TYR 17 1HD TYR 17 -13.376 5.363 -3.720 129 HD2 TYR 17 2HD TYR 17 -11.101 4.775 -0.173 130 HE1 TYR 17 1HE TYR 17 -15.205 4.013 -2.778 131 HE2 TYR 17 2HE TYR 17 -12.922 3.423 0.779 132 HH TYR 17 HH TYR 17 -14.849 2.033 -0.126 133 H ASP 18 H ASP 18 -10.751 7.625 -5.360 134 HA ASP 18 HA ASP 18 -7.958 7.864 -6.059 135 HB2 ASP 18 1HB ASP 18 -9.958 10.014 -6.633 136 HB3 ASP 18 2HB ASP 18 -8.614 9.445 -7.619 137 H CYS 19 H CYS 19 -6.533 8.751 -4.729 138 HA CYS 19 HA CYS 19 -7.424 10.936 -2.965 139 HB2 CYS 19 1HB CYS 19 -6.644 8.709 -1.926 140 HB3 CYS 19 2HB CYS 19 -5.028 9.195 -2.423 141 HG CYS 19 HG CYS 19 -6.306 9.798 0.372 142 H GLN 20 H GLN 20 -6.257 12.804 -2.899 143 HA GLN 20 HA GLN 20 -3.923 12.973 -4.689 144 HB2 GLN 20 1HB GLN 20 -6.165 14.100 -5.402 145 HB3 GLN 20 2HB GLN 20 -5.732 15.314 -4.206 146 HG2 GLN 20 1HG GLN 20 -4.357 14.611 -6.762 147 HG3 GLN 20 2HG GLN 20 -4.908 16.183 -6.185 148 HE21 GLN 20 1HE2 GLN 20 -3.583 17.412 -4.949 149 HE22 GLN 20 2HE2 GLN 20 -1.957 16.981 -4.554 150 H ALA 21 H ALA 21 -2.355 12.841 -3.128 151 HA ALA 21 HA ALA 21 -2.454 14.263 -0.667 152 HB1 ALA 21 3HB ALA 21 0.019 13.665 -0.599 153 HB2 ALA 21 1HB ALA 21 -1.127 12.325 -0.676 154 HB3 ALA 21 2HB ALA 21 -0.256 12.827 -2.127 155 H ASP 22 H ASP 22 -1.360 16.115 -0.026 156 HA ASP 22 HA ASP 22 -0.619 17.911 -2.226 157 HB2 ASP 22 1HB ASP 22 -2.415 18.421 -0.358 158 HB3 ASP 22 2HB ASP 22 -0.993 18.870 0.580 159 H ASN 23 H ASN 23 0.536 16.547 0.798 160 HA ASN 23 HA ASN 23 3.031 18.027 0.655 161 HB2 ASN 23 1HB ASN 23 2.052 15.926 2.601 162 HB3 ASN 23 2HB ASN 23 3.590 16.774 2.738 163 HD21 ASN 23 1HD2 ASN 23 3.184 19.287 2.388 164 HD22 ASN 23 2HD2 ASN 23 1.972 19.937 3.433 165 H ASP 24 H ASP 24 5.069 16.630 1.116 166 HA ASP 24 HA ASP 24 5.324 14.813 -1.109 167 HB2 ASP 24 1HB ASP 24 7.303 15.805 0.948 168 HB3 ASP 24 2HB ASP 24 7.725 14.698 -0.356 169 H ASP 25 H ASP 25 5.425 14.617 2.416 170 HA ASP 25 HA ASP 25 6.226 11.950 2.660 171 HB2 ASP 25 1HB ASP 25 4.557 13.732 4.427 172 HB3 ASP 25 2HB ASP 25 4.956 12.077 4.882 173 H GLU 26 H GLU 26 3.132 13.357 1.888 174 HA GLU 26 HA GLU 26 1.682 10.887 2.270 175 HB2 GLU 26 1HB GLU 26 0.940 13.611 1.231 176 HB3 GLU 26 2HB GLU 26 -0.169 12.252 1.108 177 HG2 GLU 26 1HG GLU 26 -0.380 12.066 3.431 178 HG3 GLU 26 2HG GLU 26 1.045 13.061 3.726 179 H LEU 27 H LEU 27 1.417 9.332 0.811 180 HA LEU 27 HA LEU 27 2.609 9.588 -1.797 181 HB2 LEU 27 1HB LEU 27 2.820 7.521 -0.530 182 HB3 LEU 27 2HB LEU 27 1.069 7.326 -0.533 183 HG LEU 27 HG LEU 27 1.167 7.100 -3.014 184 HD11 LEU 27 1HD1 LEU 27 4.117 6.687 -2.714 185 HD12 LEU 27 2HD1 LEU 27 3.455 8.279 -3.086 186 HD13 LEU 27 3HD1 LEU 27 3.167 6.927 -4.180 187 HD21 LEU 27 3HD2 LEU 27 1.322 4.880 -2.774 188 HD22 LEU 27 1HD2 LEU 27 1.590 5.232 -1.067 189 HD23 LEU 27 2HD2 LEU 27 2.965 4.966 -2.139 190 H THR 28 H THR 28 1.622 9.970 -3.683 191 HA THR 28 HA THR 28 -1.266 10.432 -3.641 192 HB THR 28 HB THR 28 0.809 11.188 -5.708 193 HG1 THR 28 1HG THR 28 -0.101 13.349 -4.831 194 HG21 THR 28 3HG2 THR 28 -2.169 11.510 -5.620 195 HG22 THR 28 1HG2 THR 28 -1.142 10.996 -6.959 196 HG23 THR 28 2HG2 THR 28 -1.167 12.689 -6.466 197 H PHE 29 H PHE 29 -2.623 8.980 -4.441 198 HA PHE 29 HA PHE 29 -1.773 7.296 -6.681 199 HB2 PHE 29 1HB PHE 29 -2.894 5.329 -5.554 200 HB3 PHE 29 2HB PHE 29 -1.379 5.851 -4.824 201 HD1 PHE 29 1HD PHE 29 -1.394 7.081 -2.691 202 HD2 PHE 29 2HD PHE 29 -4.951 5.460 -4.372 203 HE1 PHE 29 1HE PHE 29 -2.517 7.299 -0.514 204 HE2 PHE 29 2HE PHE 29 -6.082 5.676 -2.198 205 HZ PHE 29 HZ PHE 29 -4.865 6.596 -0.265 206 H ILE 30 H ILE 30 -3.833 5.868 -7.302 207 HA ILE 30 HA ILE 30 -6.286 7.431 -7.065 208 HB ILE 30 HB ILE 30 -6.684 7.383 -9.494 209 HG12 ILE 30 1HG1 ILE 30 -3.791 6.788 -9.965 210 HG13 ILE 30 2HG1 ILE 30 -4.903 5.447 -9.712 211 HG21 ILE 30 1HG2 ILE 30 -4.149 8.783 -8.655 212 HG22 ILE 30 2HG2 ILE 30 -5.089 9.162 -10.097 213 HG23 ILE 30 3HG2 ILE 30 -5.794 9.400 -8.499 214 HD11 ILE 30 3HD1 ILE 30 -6.169 6.020 -11.621 215 HD12 ILE 30 1HD1 ILE 30 -5.352 7.575 -11.781 216 HD13 ILE 30 2HD1 ILE 30 -4.472 6.079 -12.098 217 H GLU 31 H GLU 31 -8.192 6.275 -7.745 218 HA GLU 31 HA GLU 31 -8.454 3.734 -6.813 219 HB2 GLU 31 1HB GLU 31 -10.288 5.318 -7.564 220 HB3 GLU 31 2HB GLU 31 -10.008 4.733 -9.197 221 HG2 GLU 31 1HG GLU 31 -10.385 2.392 -8.164 222 HG3 GLU 31 2HG GLU 31 -11.134 3.285 -6.842 223 H GLY 32 H GLY 32 -7.594 1.848 -7.360 224 HA2 GLY 32 1HA GLY 32 -7.270 0.052 -8.883 225 HA3 GLY 32 2HA GLY 32 -7.245 1.212 -10.202 226 H GLU 33 H GLU 33 -5.410 1.114 -7.158 227 HA GLU 33 HA GLU 33 -2.947 0.792 -8.726 228 HB2 GLU 33 1HB GLU 33 -3.547 2.925 -6.689 229 HB3 GLU 33 2HB GLU 33 -1.898 2.452 -7.073 230 HG2 GLU 33 1HG GLU 33 -3.909 3.490 -9.056 231 HG3 GLU 33 2HG GLU 33 -2.631 4.443 -8.304 232 H VAL 34 H VAL 34 -1.316 -0.353 -7.737 233 HA VAL 34 HA VAL 34 -2.088 -1.748 -5.271 234 HB VAL 34 HB VAL 34 -0.015 -2.487 -7.340 235 HG11 VAL 34 1HG1 VAL 34 0.353 -4.498 -6.137 236 HG12 VAL 34 2HG1 VAL 34 0.477 -3.183 -4.966 237 HG13 VAL 34 3HG1 VAL 34 -0.986 -4.166 -5.039 238 HG21 VAL 34 3HG2 VAL 34 -1.845 -4.496 -7.311 239 HG22 VAL 34 1HG2 VAL 34 -2.869 -3.091 -7.014 240 HG23 VAL 34 2HG2 VAL 34 -1.852 -3.153 -8.454 241 H ILE 35 H ILE 35 -1.142 -1.187 -3.434 242 HA ILE 35 HA ILE 35 1.433 0.232 -3.549 243 HB ILE 35 HB ILE 35 -0.711 0.251 -1.424 244 HG12 ILE 35 1HG1 ILE 35 0.383 2.597 -2.962 245 HG13 ILE 35 2HG1 ILE 35 -0.935 1.619 -3.599 246 HG21 ILE 35 1HG2 ILE 35 1.207 0.405 -0.146 247 HG22 ILE 35 2HG2 ILE 35 2.103 1.256 -1.403 248 HG23 ILE 35 3HG2 ILE 35 0.855 2.098 -0.484 249 HD11 ILE 35 3HD1 ILE 35 -2.412 2.670 -2.331 250 HD12 ILE 35 1HD1 ILE 35 -1.451 2.403 -0.877 251 HD13 ILE 35 2HD1 ILE 35 -1.132 3.803 -1.902 252 H ILE 36 H ILE 36 3.196 -0.674 -2.703 253 HA ILE 36 HA ILE 36 2.948 -3.275 -1.419 254 HB ILE 36 HB ILE 36 5.372 -1.753 -2.377 255 HG12 ILE 36 1HG1 ILE 36 3.964 -2.623 -4.177 256 HG13 ILE 36 2HG1 ILE 36 5.472 -3.526 -4.087 257 HG21 ILE 36 1HG2 ILE 36 5.810 -3.196 -0.389 258 HG22 ILE 36 2HG2 ILE 36 5.274 -4.579 -1.341 259 HG23 ILE 36 3HG2 ILE 36 6.699 -3.666 -1.838 260 HD11 ILE 36 3HD1 ILE 36 2.793 -4.478 -3.952 261 HD12 ILE 36 1HD1 ILE 36 4.300 -5.393 -3.995 262 HD13 ILE 36 2HD1 ILE 36 3.627 -4.872 -2.450 263 H VAL 37 H VAL 37 2.334 -2.959 0.673 264 HA VAL 37 HA VAL 37 3.401 -0.917 2.347 265 HB VAL 37 HB VAL 37 1.951 -3.458 3.108 266 HG11 VAL 37 1HG1 VAL 37 2.846 -1.075 4.677 267 HG12 VAL 37 2HG1 VAL 37 1.389 -1.952 5.149 268 HG13 VAL 37 3HG1 VAL 37 2.942 -2.787 5.087 269 HG21 VAL 37 3HG2 VAL 37 0.679 -1.955 1.614 270 HG22 VAL 37 1HG2 VAL 37 -0.037 -2.089 3.220 271 HG23 VAL 37 2HG2 VAL 37 0.889 -0.652 2.784 272 H THR 38 H THR 38 5.283 -0.867 3.371 273 HA THR 38 HA THR 38 6.653 -3.414 3.938 274 HB THR 38 HB THR 38 8.812 -2.270 3.569 275 HG1 THR 38 1HG THR 38 8.881 -0.185 3.156 276 HG21 THR 38 3HG2 THR 38 6.814 -2.774 1.480 277 HG22 THR 38 1HG2 THR 38 8.474 -3.349 1.623 278 HG23 THR 38 2HG2 THR 38 8.151 -1.741 0.975 279 H GLY 39 H GLY 39 6.187 -0.036 4.882 280 HA2 GLY 39 1HA GLY 39 7.071 -0.779 7.603 281 HA3 GLY 39 2HA GLY 39 7.381 0.801 6.898 282 H GLU 40 H GLU 40 4.889 -1.347 8.139 283 HA GLU 40 HA GLU 40 2.698 0.388 7.874 284 HB2 GLU 40 1HB GLU 40 3.162 -1.717 9.995 285 HB3 GLU 40 2HB GLU 40 1.612 -1.005 9.571 286 HG2 GLU 40 1HG GLU 40 1.489 -2.942 8.391 287 HG3 GLU 40 2HG GLU 40 2.229 -1.900 7.178 288 H GLU 41 H GLU 41 2.772 2.425 8.600 289 HA GLU 41 HA GLU 41 4.244 3.291 10.847 290 HB2 GLU 41 1HB GLU 41 3.289 4.626 8.813 291 HB3 GLU 41 2HB GLU 41 1.860 4.793 9.824 292 HG2 GLU 41 1HG GLU 41 3.086 5.948 11.503 293 HG3 GLU 41 2HG GLU 41 4.619 5.592 10.709 294 H ASP 42 H ASP 42 0.810 2.541 10.397 295 HA ASP 42 HA ASP 42 0.525 1.848 13.164 296 HB2 ASP 42 1HB ASP 42 -1.412 3.520 13.461 297 HB3 ASP 42 2HB ASP 42 0.233 4.134 13.606 298 H GLN 43 H GLN 43 -2.030 1.599 13.575 299 HA GLN 43 HA GLN 43 -2.871 -0.342 11.637 300 HB2 GLN 43 1HB GLN 43 -3.206 -0.371 14.207 301 HB3 GLN 43 2HB GLN 43 -4.589 0.667 13.885 302 HG2 GLN 43 1HG GLN 43 -5.365 -1.575 14.046 303 HG3 GLN 43 2HG GLN 43 -5.471 -1.081 12.358 304 HE21 GLN 43 1HE2 GLN 43 -4.974 -2.679 11.057 305 HE22 GLN 43 2HE2 GLN 43 -3.728 -3.851 11.303 306 H GLU 44 H GLU 44 -3.162 2.970 11.811 307 HA GLU 44 HA GLU 44 -5.681 2.972 10.289 308 HB2 GLU 44 1HB GLU 44 -4.329 5.195 11.826 309 HB3 GLU 44 2HB GLU 44 -5.772 5.403 10.844 310 HG2 GLU 44 1HG GLU 44 -6.764 3.539 12.334 311 HG3 GLU 44 2HG GLU 44 -5.443 3.944 13.428 312 H TRP 45 H TRP 45 -2.307 3.765 10.210 313 HA TRP 45 HA TRP 45 -2.588 4.504 7.382 314 HB2 TRP 45 1HB TRP 45 -1.020 5.991 9.489 315 HB3 TRP 45 2HB TRP 45 -0.707 6.177 7.765 316 HD1 TRP 45 HD TRP 45 -3.816 6.448 10.092 317 HE1 TRP 45 1HE TRP 45 -5.218 8.454 9.294 318 HE3 TRP 45 3HE TRP 45 -0.983 7.876 6.083 319 HZ2 TRP 45 2HZ TRP 45 -5.135 10.384 7.236 320 HZ3 TRP 45 3HZ TRP 45 -1.714 9.810 4.752 321 HH2 TRP 45 HH TRP 45 -3.748 11.037 5.318 322 H TRP 46 H TRP 46 -1.133 3.579 6.053 323 HA TRP 46 HA TRP 46 1.135 2.159 7.285 324 HB2 TRP 46 1HB TRP 46 -0.732 1.213 5.108 325 HB3 TRP 46 2HB TRP 46 0.825 0.454 5.429 326 HD1 TRP 46 HD TRP 46 0.267 0.945 8.743 327 HE1 TRP 46 1HE TRP 46 -1.184 -0.841 9.894 328 HE3 TRP 46 3HE TRP 46 -1.968 -1.071 4.610 329 HZ2 TRP 46 2HZ TRP 46 -3.032 -2.841 9.149 330 HZ3 TRP 46 3HZ TRP 46 -3.566 -2.917 4.916 331 HH2 TRP 46 HH TRP 46 -4.084 -3.783 7.139 332 H ILE 47 H ILE 47 2.924 1.707 5.766 333 HA ILE 47 HA ILE 47 3.166 3.853 3.759 334 HB ILE 47 HB ILE 47 5.407 2.592 5.343 335 HG12 ILE 47 1HG1 ILE 47 4.402 5.416 5.626 336 HG13 ILE 47 2HG1 ILE 47 3.730 4.105 6.588 337 HG21 ILE 47 1HG2 ILE 47 5.298 4.390 3.037 338 HG22 ILE 47 2HG2 ILE 47 6.335 4.954 4.347 339 HG23 ILE 47 3HG2 ILE 47 6.612 3.371 3.623 340 HD11 ILE 47 3HD1 ILE 47 6.156 3.634 7.267 341 HD12 ILE 47 1HD1 ILE 47 6.493 5.246 6.636 342 HD13 ILE 47 2HD1 ILE 47 5.347 5.039 7.960 343 H GLY 48 H GLY 48 3.777 3.329 1.732 344 HA2 GLY 48 1HA GLY 48 5.143 0.881 1.112 345 HA3 GLY 48 2HA GLY 48 3.445 0.835 0.662 346 H HIS 49 H HIS 49 5.426 0.563 -1.236 347 HA HIS 49 HA HIS 49 5.319 3.142 -2.657 348 HB2 HIS 49 1HB HIS 49 7.316 2.332 -3.917 349 HB3 HIS 49 2HB HIS 49 7.611 2.553 -2.194 350 HD1 HIS 49 1HD HIS 49 6.446 -0.372 -4.350 351 HD2 HIS 49 2HD HIS 49 9.074 0.500 -1.252 352 HE1 HIS 49 1HE HIS 49 7.589 -2.546 -3.806 353 HE2 HIS 49 2HE HIS 49 9.113 -2.012 -1.873 354 H ILE 50 H ILE 50 4.625 3.188 -4.766 355 HA ILE 50 HA ILE 50 2.760 1.268 -5.588 356 HB ILE 50 HB ILE 50 4.191 3.353 -7.240 357 HG12 ILE 50 1HG1 ILE 50 2.859 4.229 -5.343 358 HG13 ILE 50 2HG1 ILE 50 2.188 4.693 -6.902 359 HG21 ILE 50 1HG2 ILE 50 3.205 2.511 -9.038 360 HG22 ILE 50 2HG2 ILE 50 2.516 1.213 -8.063 361 HG23 ILE 50 3HG2 ILE 50 1.630 2.722 -8.275 362 HD11 ILE 50 3HD1 ILE 50 0.272 4.053 -5.915 363 HD12 ILE 50 1HD1 ILE 50 0.785 2.461 -6.474 364 HD13 ILE 50 2HD1 ILE 50 1.083 2.948 -4.805 365 H GLU 51 H GLU 51 3.025 -0.679 -6.438 366 HA GLU 51 HA GLU 51 5.325 -2.029 -6.868 367 HB2 GLU 51 1HB GLU 51 2.874 -2.826 -7.067 368 HB3 GLU 51 2HB GLU 51 3.030 -2.418 -8.770 369 HG2 GLU 51 1HG GLU 51 5.024 -3.936 -8.849 370 HG3 GLU 51 2HG GLU 51 4.602 -4.456 -7.219 371 H GLY 52 H GLY 52 6.863 -2.259 -8.422 372 HA2 GLY 52 1HA GLY 52 7.974 -1.937 -10.430 373 HA3 GLY 52 2HA GLY 52 6.538 -1.144 -11.059 374 H GLN 53 H GLN 53 6.263 0.870 -9.114 375 HA GLN 53 HA GLN 53 8.592 2.534 -9.787 376 HB2 GLN 53 1HB GLN 53 5.689 3.144 -9.362 377 HB3 GLN 53 2HB GLN 53 6.891 4.404 -9.117 378 HG2 GLN 53 1HG GLN 53 7.448 4.504 -11.335 379 HG3 GLN 53 2HG GLN 53 6.946 2.842 -11.647 380 HE21 GLN 53 1HE2 GLN 53 5.586 5.961 -10.645 381 HE22 GLN 53 2HE2 GLN 53 4.130 5.815 -11.562 382 HA PRO 54 HA PRO 54 9.085 1.897 -5.270 383 HB2 PRO 54 1HB PRO 54 11.795 2.045 -5.337 384 HB3 PRO 54 2HB PRO 54 10.906 0.555 -5.669 385 HG2 PRO 54 1HG PRO 54 12.097 2.518 -7.589 386 HG3 PRO 54 2HG PRO 54 12.128 0.747 -7.639 387 HD2 PRO 54 1HD PRO 54 10.414 2.215 -9.134 388 HD3 PRO 54 2HD PRO 54 9.997 0.607 -8.506 389 H GLU 55 H GLU 55 10.566 4.251 -7.447 390 HA GLU 55 HA GLU 55 11.588 6.083 -5.673 391 HB2 GLU 55 1HB GLU 55 11.080 7.809 -7.410 392 HB3 GLU 55 2HB GLU 55 11.906 6.386 -8.029 393 HG2 GLU 55 1HG GLU 55 9.997 5.593 -9.103 394 HG3 GLU 55 2HG GLU 55 8.926 6.622 -8.155 395 H ARG 56 H ARG 56 8.272 5.332 -6.318 396 HA ARG 56 HA ARG 56 7.346 7.687 -4.847 397 HB2 ARG 56 1HB ARG 56 5.891 5.596 -6.465 398 HB3 ARG 56 2HB ARG 56 5.062 6.825 -5.518 399 HG2 ARG 56 1HG ARG 56 6.266 8.559 -6.843 400 HG3 ARG 56 2HG ARG 56 6.892 7.262 -7.865 401 HD2 ARG 56 1HD ARG 56 5.016 8.019 -9.021 402 HD3 ARG 56 2HD ARG 56 4.435 6.589 -8.169 403 HE ARG 56 HE ARG 56 2.985 7.930 -7.033 404 HH11 ARG 56 1HH1 ARG 56 5.573 9.899 -8.278 405 HH12 ARG 56 2HH1 ARG 56 4.860 11.391 -7.760 406 HH21 ARG 56 1HH2 ARG 56 2.039 9.887 -6.345 407 HH22 ARG 56 2HH2 ARG 56 2.851 11.383 -6.660 408 H LYS 57 H LYS 57 7.545 7.378 -2.707 409 HA LYS 57 HA LYS 57 6.071 5.150 -1.526 410 HB2 LYS 57 1HB LYS 57 7.913 4.686 0.063 411 HB3 LYS 57 2HB LYS 57 8.343 4.317 -1.601 412 HG2 LYS 57 1HG LYS 57 9.530 6.480 -1.736 413 HG3 LYS 57 2HG LYS 57 9.169 6.747 -0.028 414 HD2 LYS 57 1HD LYS 57 11.247 5.822 0.169 415 HD3 LYS 57 2HD LYS 57 10.274 4.350 0.200 416 HE2 LYS 57 1HE LYS 57 11.232 5.417 -2.416 417 HE3 LYS 57 2HE LYS 57 12.357 4.544 -1.377 418 HZ1 LYS 57 3HZ LYS 57 11.482 2.864 -2.645 419 HZ2 LYS 57 1HZ LYS 57 9.944 3.561 -2.735 420 HZ3 LYS 57 2HZ LYS 57 10.449 2.810 -1.307 421 H GLY 58 H GLY 58 4.717 5.941 -0.063 422 HA2 GLY 58 1HA GLY 58 5.581 7.943 1.838 423 HA3 GLY 58 2HA GLY 58 4.365 8.511 0.702 424 H VAL 59 H VAL 59 3.893 8.478 3.426 425 HA VAL 59 HA VAL 59 2.502 6.116 4.232 426 HB VAL 59 HB VAL 59 3.477 7.618 5.893 427 HG11 VAL 59 1HG1 VAL 59 2.488 9.798 6.363 428 HG12 VAL 59 2HG1 VAL 59 3.116 9.733 4.715 429 HG13 VAL 59 3HG1 VAL 59 1.382 9.597 5.005 430 HG21 VAL 59 3HG2 VAL 59 0.957 8.083 6.966 431 HG22 VAL 59 1HG2 VAL 59 0.734 6.697 5.901 432 HG23 VAL 59 2HG2 VAL 59 1.944 6.638 7.182 433 H PHE 60 H PHE 60 0.375 5.621 4.115 434 HA PHE 60 HA PHE 60 -1.495 7.636 3.106 435 HB2 PHE 60 1HB PHE 60 -2.419 6.074 1.464 436 HB3 PHE 60 2HB PHE 60 -0.713 6.370 1.146 437 HD1 PHE 60 2HD PHE 60 0.969 4.642 1.801 438 HD2 PHE 60 1HD PHE 60 -3.223 3.910 1.909 439 HE1 PHE 60 2HE PHE 60 1.396 2.219 1.836 440 HE2 PHE 60 1HE PHE 60 -2.803 1.486 1.945 441 HZ PHE 60 HZ PHE 60 -0.491 0.639 1.907 442 HA PRO 61 HA PRO 61 -4.233 5.987 6.117 443 HB2 PRO 61 1HB PRO 61 -6.632 6.537 4.969 444 HB3 PRO 61 2HB PRO 61 -5.595 7.783 5.674 445 HG2 PRO 61 1HG PRO 61 -5.925 6.994 2.806 446 HG3 PRO 61 2HG PRO 61 -5.819 8.615 3.514 447 HD2 PRO 61 1HD PRO 61 -3.714 7.411 2.309 448 HD3 PRO 61 2HD PRO 61 -3.521 8.533 3.672 449 H VAL 62 H VAL 62 -4.865 3.978 6.582 450 HA VAL 62 HA VAL 62 -5.040 1.967 4.574 451 HB VAL 62 HB VAL 62 -5.782 1.839 7.500 452 HG11 VAL 62 1HG1 VAL 62 -5.107 -0.691 6.771 453 HG12 VAL 62 2HG1 VAL 62 -6.761 -0.086 6.882 454 HG13 VAL 62 3HG1 VAL 62 -5.936 -0.120 5.323 455 HG21 VAL 62 3HG2 VAL 62 -3.543 2.163 7.654 456 HG22 VAL 62 1HG2 VAL 62 -3.513 0.434 7.310 457 HG23 VAL 62 2HG2 VAL 62 -3.237 1.596 6.012 458 H SER 63 H SER 63 -7.254 4.227 5.686 459 HA SER 63 HA SER 63 -9.616 2.586 5.363 460 HB2 SER 63 1HB SER 63 -9.473 4.464 7.027 461 HB3 SER 63 2HB SER 63 -9.455 5.591 5.672 462 HG SER 63 HG SER 63 -11.533 4.001 6.647 463 H PHE 64 H PHE 64 -7.507 4.061 3.283 464 HA PHE 64 HA PHE 64 -9.588 4.542 1.258 465 HB2 PHE 64 1HB PHE 64 -6.810 5.660 1.590 466 HB3 PHE 64 2HB PHE 64 -7.672 5.763 0.058 467 HD1 PHE 64 2HD PHE 64 -8.754 6.217 3.599 468 HD2 PHE 64 1HD PHE 64 -8.363 7.924 -0.281 469 HE1 PHE 64 2HE PHE 64 -9.895 8.250 4.382 470 HE2 PHE 64 1HE PHE 64 -9.503 9.961 0.496 471 HZ PHE 64 HZ PHE 64 -10.273 10.125 2.830 472 H VAL 65 H VAL 65 -8.143 1.996 2.154 473 HA VAL 65 HA VAL 65 -7.687 0.997 -0.539 474 HB VAL 65 HB VAL 65 -5.557 -0.020 -0.059 475 HG11 VAL 65 1HG1 VAL 65 -5.533 2.263 -0.934 476 HG12 VAL 65 2HG1 VAL 65 -5.520 2.897 0.712 477 HG13 VAL 65 3HG1 VAL 65 -4.147 1.964 0.115 478 HG21 VAL 65 3HG2 VAL 65 -4.847 -0.427 2.007 479 HG22 VAL 65 1HG2 VAL 65 -4.845 1.295 2.384 480 HG23 VAL 65 2HG2 VAL 65 -6.308 0.342 2.627 481 H HIS 66 H HIS 66 -7.365 -1.423 -0.509 482 HA HIS 66 HA HIS 66 -8.588 -2.710 1.822 483 HB2 HIS 66 1HB HIS 66 -10.353 -3.646 0.682 484 HB3 HIS 66 2HB HIS 66 -10.220 -2.111 -0.170 485 HD1 HIS 66 1HD HIS 66 -10.772 -5.468 -0.916 486 HD2 HIS 66 2HD HIS 66 -8.214 -2.601 -2.497 487 HE1 HIS 66 1HE HIS 66 -10.174 -6.294 -3.214 488 HE2 HIS 66 2HE HIS 66 -8.558 -4.587 -4.118 489 H ILE 67 H ILE 67 -7.390 -4.380 2.425 490 HA ILE 67 HA ILE 67 -5.150 -5.301 1.046 491 HB ILE 67 HB ILE 67 -6.716 -6.882 3.085 492 HG12 ILE 67 1HG1 ILE 67 -4.586 -4.771 3.489 493 HG13 ILE 67 2HG1 ILE 67 -6.282 -4.640 3.945 494 HG21 ILE 67 1HG2 ILE 67 -3.753 -6.936 2.829 495 HG22 ILE 67 2HG2 ILE 67 -4.864 -8.193 3.373 496 HG23 ILE 67 3HG2 ILE 67 -4.719 -7.828 1.654 497 HD11 ILE 67 3HD1 ILE 67 -4.492 -6.771 5.060 498 HD12 ILE 67 1HD1 ILE 67 -4.620 -5.168 5.783 499 HD13 ILE 67 2HD1 ILE 67 -6.045 -6.203 5.673 500 H LEU 68 H LEU 68 -5.004 -6.461 -0.746 501 HA LEU 68 HA LEU 68 -7.187 -7.691 -2.017 502 HB2 LEU 68 1HB LEU 68 -4.224 -8.070 -2.405 503 HB3 LEU 68 2HB LEU 68 -5.456 -8.727 -3.480 504 HG LEU 68 HG LEU 68 -5.347 -5.783 -2.971 505 HD11 LEU 68 1HD1 LEU 68 -3.089 -6.205 -3.545 506 HD12 LEU 68 2HD1 LEU 68 -3.884 -5.638 -5.014 507 HD13 LEU 68 3HD1 LEU 68 -3.550 -7.357 -4.800 508 HD21 LEU 68 3HD2 LEU 68 -5.907 -6.266 -5.612 509 HD22 LEU 68 1HD2 LEU 68 -7.100 -5.990 -4.341 510 HD23 LEU 68 2HD2 LEU 68 -6.663 -7.636 -4.799 511 H SER 69 H SER 69 -7.886 -9.782 -2.138 512 HA SER 69 HA SER 69 -7.040 -11.533 0.022 513 HB2 SER 69 1HB SER 69 -9.413 -11.312 -0.232 514 HB3 SER 69 2HB SER 69 -9.321 -11.674 -1.955 515 HG SER 69 HG SER 69 -8.533 -13.500 0.063 516 H ASP 70 H ASP 70 -4.921 -11.931 -0.948 517 HA ASP 70 HA ASP 70 -4.646 -13.281 -3.426 518 HB2 ASP 70 1HB ASP 70 -2.861 -12.770 -1.080 519 HB3 ASP 70 2HB ASP 70 -2.368 -13.955 -2.286 520 H SER 71 H SER 71 -5.534 -15.205 -3.797 521 HA SER 71 HA SER 71 -6.307 -17.070 -1.873 522 HB2 SER 71 1HB SER 71 -6.948 -16.878 -4.389 523 HB3 SER 71 2HB SER 71 -5.544 -17.911 -4.657 524 HG SER 71 HG SER 71 -7.313 -19.230 -4.397 525 H GLY 72 H GLY 72 -4.880 -17.851 -0.432 526 HA2 GLY 72 1HA GLY 72 -2.932 -19.750 -1.287 527 HA3 GLY 72 2HA GLY 72 -2.168 -18.263 -0.745 528 HA PRO 73 HA PRO 73 -4.470 -20.327 3.015 529 HB2 PRO 73 1HB PRO 73 -4.847 -23.002 2.753 530 HB3 PRO 73 2HB PRO 73 -6.060 -21.810 2.272 531 HG2 PRO 73 1HG PRO 73 -4.080 -23.286 0.580 532 HG3 PRO 73 2HG PRO 73 -5.792 -22.948 0.262 533 HD2 PRO 73 1HD PRO 73 -3.791 -21.503 -0.852 534 HD3 PRO 73 2HD PRO 73 -5.367 -20.795 -0.441 535 H SER 74 H SER 74 -3.652 -21.890 4.689 536 HA SER 74 HA SER 74 -0.764 -22.207 4.346 537 HB2 SER 74 1HB SER 74 -2.383 -22.459 6.889 538 HB3 SER 74 2HB SER 74 -0.632 -22.303 6.754 539 HG SER 74 HG SER 74 -1.425 -20.239 5.519 540 H SER 75 H SER 75 0.244 -24.137 5.411 541 HA SER 75 HA SER 75 -0.497 -26.486 4.202 542 HB2 SER 75 1HB SER 75 1.037 -27.615 5.666 543 HB3 SER 75 2HB SER 75 1.692 -26.007 5.357 544 HG SER 75 HG SER 75 1.832 -26.198 7.509 545 H GLY 76 H GLY 76 -1.466 -28.437 4.960 546 HA2 GLY 76 1HA GLY 76 -2.625 -29.487 6.923 547 HA3 GLY 76 2HA GLY 76 -3.486 -27.963 7.064 Start of MODEL 20 1 H1 GLY 1 H GLY 1 9.146 -26.065 -5.934 2 HA2 GLY 1 1HA GLY 1 7.173 -24.310 -5.742 3 HA3 GLY 1 2HA GLY 1 7.111 -25.798 -4.809 4 H SER 2 H SER 2 6.258 -25.238 -2.904 5 HA SER 2 HA SER 2 7.168 -22.782 -1.597 6 HB2 SER 2 1HB SER 2 4.919 -24.646 -0.800 7 HB3 SER 2 2HB SER 2 5.258 -23.057 -0.113 8 HG SER 2 HG SER 2 4.908 -23.204 -2.871 9 H SER 3 H SER 3 8.179 -22.751 0.372 10 HA SER 3 HA SER 3 9.056 -25.366 1.412 11 HB2 SER 3 1HB SER 3 10.514 -22.716 1.349 12 HB3 SER 3 2HB SER 3 11.075 -24.119 2.259 13 HG SER 3 HG SER 3 10.706 -23.929 -0.547 14 H GLY 4 H GLY 4 9.351 -25.556 3.701 15 HA2 GLY 4 1HA GLY 4 7.355 -24.041 5.175 16 HA3 GLY 4 2HA GLY 4 8.221 -25.460 5.745 17 H SER 5 H SER 5 9.038 -22.147 4.701 18 HA SER 5 HA SER 5 10.590 -21.858 7.184 19 HB2 SER 5 1HB SER 5 11.445 -20.969 4.419 20 HB3 SER 5 2HB SER 5 12.300 -20.589 5.913 21 HG SER 5 HG SER 5 12.063 -23.128 6.033 22 H SER 6 H SER 6 10.356 -19.962 8.240 23 HA SER 6 HA SER 6 8.236 -18.214 7.412 24 HB2 SER 6 1HB SER 6 10.033 -18.389 9.805 25 HB3 SER 6 2HB SER 6 9.091 -16.924 9.530 26 HG SER 6 HG SER 6 8.260 -19.114 10.664 27 H GLY 7 H GLY 7 8.353 -16.218 6.531 28 HA2 GLY 7 1HA GLY 7 11.059 -15.140 6.027 29 HA3 GLY 7 2HA GLY 7 9.770 -15.077 4.834 30 H ASN 8 H ASN 8 9.709 -12.867 4.627 31 HA ASN 8 HA ASN 8 9.283 -11.250 7.020 32 HB2 ASN 8 1HB ASN 8 9.907 -10.602 4.148 33 HB3 ASN 8 2HB ASN 8 9.343 -9.357 5.258 34 HD21 ASN 8 1HD2 ASN 8 11.847 -9.384 3.959 35 HD22 ASN 8 2HD2 ASN 8 13.072 -9.497 5.172 36 H LYS 9 H LYS 9 7.360 -10.478 7.616 37 HA LYS 9 HA LYS 9 4.988 -11.330 6.302 38 HB2 LYS 9 1HB LYS 9 5.598 -9.587 8.658 39 HB3 LYS 9 2HB LYS 9 3.969 -9.597 7.995 40 HG2 LYS 9 1HG LYS 9 5.384 -12.127 8.766 41 HG3 LYS 9 2HG LYS 9 4.457 -11.174 9.927 42 HD2 LYS 9 1HD LYS 9 3.187 -11.920 7.335 43 HD3 LYS 9 2HD LYS 9 3.339 -13.147 8.594 44 HE2 LYS 9 1HE LYS 9 2.188 -10.444 9.193 45 HE3 LYS 9 2HE LYS 9 1.191 -11.724 8.504 46 HZ1 LYS 9 3HZ LYS 9 1.722 -13.123 10.386 47 HZ2 LYS 9 1HZ LYS 9 1.060 -11.663 10.925 48 HZ3 LYS 9 2HZ LYS 9 2.726 -11.928 11.038 49 H VAL 10 H VAL 10 4.727 -10.518 4.276 50 HA VAL 10 HA VAL 10 5.037 -7.666 3.792 51 HB VAL 10 HB VAL 10 4.712 -8.150 1.468 52 HG11 VAL 10 1HG1 VAL 10 6.507 -10.002 2.976 53 HG12 VAL 10 2HG1 VAL 10 6.397 -10.118 1.219 54 HG13 VAL 10 3HG1 VAL 10 6.917 -8.611 1.972 55 HG21 VAL 10 3HG2 VAL 10 3.054 -9.653 1.114 56 HG22 VAL 10 1HG2 VAL 10 4.409 -10.778 1.019 57 HG23 VAL 10 2HG2 VAL 10 3.490 -10.628 2.518 58 H ARG 11 H ARG 11 3.351 -6.400 2.793 59 HA ARG 11 HA ARG 11 0.624 -7.387 3.231 60 HB2 ARG 11 1HB ARG 11 1.942 -5.086 4.556 61 HB3 ARG 11 2HB ARG 11 0.297 -4.827 3.994 62 HG2 ARG 11 1HG ARG 11 0.851 -7.281 5.563 63 HG3 ARG 11 2HG ARG 11 0.828 -5.737 6.415 64 HD2 ARG 11 1HD ARG 11 -1.409 -5.306 5.343 65 HD3 ARG 11 2HD ARG 11 -1.377 -6.978 4.784 66 HE ARG 11 HE ARG 11 -1.841 -6.049 7.479 67 HH11 ARG 11 1HH1 ARG 11 -0.967 -8.734 5.443 68 HH12 ARG 11 2HH1 ARG 11 -1.434 -9.934 6.603 69 HH21 ARG 11 1HH2 ARG 11 -2.459 -7.619 9.014 70 HH22 ARG 11 2HH2 ARG 11 -2.284 -9.299 8.633 71 H ARG 12 H ARG 12 -0.239 -7.344 1.259 72 HA ARG 12 HA ARG 12 0.383 -5.083 -0.513 73 HB2 ARG 12 1HB ARG 12 0.658 -7.644 -1.128 74 HB3 ARG 12 2HB ARG 12 -1.061 -7.511 -1.476 75 HG2 ARG 12 1HG ARG 12 -0.630 -5.739 -3.073 76 HG3 ARG 12 2HG ARG 12 1.092 -5.793 -2.689 77 HD2 ARG 12 1HD ARG 12 1.418 -7.771 -3.797 78 HD3 ARG 12 2HD ARG 12 -0.243 -8.307 -3.548 79 HE ARG 12 HE ARG 12 -0.528 -6.209 -5.224 80 HH11 ARG 12 1HH1 ARG 12 1.472 -9.059 -5.295 81 HH12 ARG 12 2HH1 ARG 12 1.503 -9.151 -7.026 82 HH21 ARG 12 1HH2 ARG 12 -0.493 -6.320 -7.502 83 HH22 ARG 12 2HH2 ARG 12 0.386 -7.593 -8.279 84 H VAL 13 H VAL 13 -1.150 -3.668 -1.092 85 HA VAL 13 HA VAL 13 -3.969 -4.356 -0.697 86 HB VAL 13 HB VAL 13 -4.462 -2.279 0.444 87 HG11 VAL 13 1HG1 VAL 13 -3.932 -3.058 2.494 88 HG12 VAL 13 2HG1 VAL 13 -3.333 -4.446 1.585 89 HG13 VAL 13 3HG1 VAL 13 -2.215 -3.190 2.118 90 HG21 VAL 13 3HG2 VAL 13 -3.013 -0.635 -0.183 91 HG22 VAL 13 1HG2 VAL 13 -2.273 -1.082 1.356 92 HG23 VAL 13 2HG2 VAL 13 -1.612 -1.706 -0.155 93 H LYS 14 H LYS 14 -5.422 -2.667 -1.661 94 HA LYS 14 HA LYS 14 -4.149 -1.304 -3.937 95 HB2 LYS 14 1HB LYS 14 -5.115 -3.248 -4.903 96 HB3 LYS 14 2HB LYS 14 -6.587 -3.078 -3.956 97 HG2 LYS 14 1HG LYS 14 -7.079 -0.988 -5.207 98 HG3 LYS 14 2HG LYS 14 -5.679 -1.327 -6.228 99 HD2 LYS 14 1HD LYS 14 -7.707 -3.474 -5.885 100 HD3 LYS 14 2HD LYS 14 -8.129 -2.092 -6.900 101 HE2 LYS 14 1HE LYS 14 -7.187 -3.565 -8.419 102 HE3 LYS 14 2HE LYS 14 -5.830 -2.518 -8.011 103 HZ1 LYS 14 3HZ LYS 14 -6.035 -5.302 -7.719 104 HZ2 LYS 14 1HZ LYS 14 -5.859 -4.621 -6.180 105 HZ3 LYS 14 2HZ LYS 14 -4.711 -4.304 -7.382 106 H THR 15 H THR 15 -4.948 0.686 -4.453 107 HA THR 15 HA THR 15 -6.490 2.037 -2.463 108 HB THR 15 HB THR 15 -6.308 4.007 -3.964 109 HG1 THR 15 1HG THR 15 -6.305 3.031 -5.985 110 HG21 THR 15 3HG2 THR 15 -3.749 4.035 -4.003 111 HG22 THR 15 1HG2 THR 15 -3.841 2.419 -3.305 112 HG23 THR 15 2HG2 THR 15 -4.529 3.794 -2.440 113 H ILE 16 H ILE 16 -8.566 1.292 -2.357 114 HA ILE 16 HA ILE 16 -10.176 0.826 -4.673 115 HB ILE 16 HB ILE 16 -12.065 0.739 -2.975 116 HG12 ILE 16 1HG1 ILE 16 -9.798 0.807 -0.980 117 HG13 ILE 16 2HG1 ILE 16 -10.822 2.198 -1.319 118 HG21 ILE 16 1HG2 ILE 16 -10.496 -1.164 -3.821 119 HG22 ILE 16 2HG2 ILE 16 -9.877 -1.125 -2.171 120 HG23 ILE 16 3HG2 ILE 16 -11.584 -1.456 -2.465 121 HD11 ILE 16 3HD1 ILE 16 -11.817 -0.458 -0.318 122 HD12 ILE 16 1HD1 ILE 16 -11.493 0.949 0.695 123 HD13 ILE 16 2HD1 ILE 16 -12.761 1.017 -0.530 124 H TYR 17 H TYR 17 -9.182 3.627 -3.159 125 HA TYR 17 HA TYR 17 -11.349 5.142 -4.433 126 HB2 TYR 17 1HB TYR 17 -10.266 5.610 -1.650 127 HB3 TYR 17 2HB TYR 17 -11.315 6.733 -2.507 128 HD1 TYR 17 1HD TYR 17 -13.418 5.249 -3.634 129 HD2 TYR 17 2HD TYR 17 -11.382 4.500 0.026 130 HE1 TYR 17 1HE TYR 17 -15.395 4.056 -2.786 131 HE2 TYR 17 2HE TYR 17 -13.353 3.303 0.883 132 HH TYR 17 HH TYR 17 -16.246 3.575 -0.113 133 H ASP 18 H ASP 18 -10.746 7.524 -4.584 134 HA ASP 18 HA ASP 18 -7.968 7.685 -5.504 135 HB2 ASP 18 1HB ASP 18 -8.854 9.860 -6.574 136 HB3 ASP 18 2HB ASP 18 -9.397 8.325 -7.249 137 H CYS 19 H CYS 19 -6.497 8.954 -4.553 138 HA CYS 19 HA CYS 19 -7.423 10.934 -2.584 139 HB2 CYS 19 1HB CYS 19 -6.462 8.689 -1.662 140 HB3 CYS 19 2HB CYS 19 -4.907 9.363 -2.130 141 HG CYS 19 HG CYS 19 -4.893 11.428 -0.385 142 H GLN 20 H GLN 20 -5.990 12.706 -2.215 143 HA GLN 20 HA GLN 20 -3.893 13.054 -4.244 144 HB2 GLN 20 1HB GLN 20 -6.267 14.786 -3.720 145 HB3 GLN 20 2HB GLN 20 -4.754 15.555 -4.181 146 HG2 GLN 20 1HG GLN 20 -4.811 13.761 -6.102 147 HG3 GLN 20 2HG GLN 20 -6.540 13.782 -5.757 148 HE21 GLN 20 1HE2 GLN 20 -3.879 16.097 -6.166 149 HE22 GLN 20 2HE2 GLN 20 -4.765 17.200 -7.157 150 H ALA 21 H ALA 21 -2.309 12.711 -2.674 151 HA ALA 21 HA ALA 21 -2.129 13.763 -0.142 152 HB1 ALA 21 3HB ALA 21 -0.514 12.176 -0.814 153 HB2 ALA 21 1HB ALA 21 0.026 13.182 -2.158 154 HB3 ALA 21 2HB ALA 21 0.374 13.666 -0.498 155 H ASP 22 H ASP 22 -1.845 15.722 0.715 156 HA ASP 22 HA ASP 22 -1.656 18.009 -1.050 157 HB2 ASP 22 1HB ASP 22 -2.259 17.597 1.850 158 HB3 ASP 22 2HB ASP 22 -1.730 19.189 1.312 159 H ASN 23 H ASN 23 0.302 16.411 1.402 160 HA ASN 23 HA ASN 23 2.431 18.384 1.045 161 HB2 ASN 23 1HB ASN 23 1.899 16.226 3.066 162 HB3 ASN 23 2HB ASN 23 3.518 16.895 2.886 163 HD21 ASN 23 1HD2 ASN 23 0.154 17.787 3.457 164 HD22 ASN 23 2HD2 ASN 23 0.499 19.175 4.424 165 H ASP 24 H ASP 24 4.720 17.259 1.184 166 HA ASP 24 HA ASP 24 4.928 15.663 -1.209 167 HB2 ASP 24 1HB ASP 24 7.158 16.457 0.666 168 HB3 ASP 24 2HB ASP 24 7.295 15.987 -1.025 169 H ASP 25 H ASP 25 5.490 15.216 2.249 170 HA ASP 25 HA ASP 25 6.674 12.700 2.195 171 HB2 ASP 25 1HB ASP 25 4.741 13.754 4.272 172 HB3 ASP 25 2HB ASP 25 5.904 12.451 4.499 173 H GLU 26 H GLU 26 3.228 13.553 2.335 174 HA GLU 26 HA GLU 26 2.206 10.957 2.487 175 HB2 GLU 26 1HB GLU 26 1.114 13.572 1.523 176 HB3 GLU 26 2HB GLU 26 0.189 12.101 1.255 177 HG2 GLU 26 1HG GLU 26 1.212 12.654 3.989 178 HG3 GLU 26 2HG GLU 26 -0.166 13.578 3.396 179 H LEU 27 H LEU 27 1.312 9.580 0.899 180 HA LEU 27 HA LEU 27 2.757 9.672 -1.631 181 HB2 LEU 27 1HB LEU 27 2.736 7.603 -0.300 182 HB3 LEU 27 2HB LEU 27 0.984 7.525 -0.473 183 HG LEU 27 HG LEU 27 1.312 7.299 -2.939 184 HD11 LEU 27 1HD1 LEU 27 3.335 7.260 -3.931 185 HD12 LEU 27 2HD1 LEU 27 4.118 6.482 -2.555 186 HD13 LEU 27 3HD1 LEU 27 3.805 8.217 -2.525 187 HD21 LEU 27 3HD2 LEU 27 1.563 5.014 -2.826 188 HD22 LEU 27 1HD2 LEU 27 1.143 5.399 -1.157 189 HD23 LEU 27 2HD2 LEU 27 2.826 5.103 -1.596 190 H THR 28 H THR 28 1.849 10.046 -3.567 191 HA THR 28 HA THR 28 -0.996 10.745 -3.605 192 HB THR 28 HB THR 28 0.996 11.264 -5.809 193 HG1 THR 28 1HG THR 28 1.583 13.092 -4.802 194 HG21 THR 28 3HG2 THR 28 -1.771 12.171 -5.151 195 HG22 THR 28 1HG2 THR 28 -1.091 11.672 -6.700 196 HG23 THR 28 2HG2 THR 28 -0.697 13.256 -6.033 197 H PHE 29 H PHE 29 -2.348 9.207 -4.241 198 HA PHE 29 HA PHE 29 -1.612 7.556 -6.553 199 HB2 PHE 29 1HB PHE 29 -2.649 5.584 -5.471 200 HB3 PHE 29 2HB PHE 29 -1.235 6.163 -4.596 201 HD1 PHE 29 2HD PHE 29 -4.913 6.011 -4.582 202 HD2 PHE 29 1HD PHE 29 -1.404 6.971 -2.373 203 HE1 PHE 29 2HE PHE 29 -6.253 6.155 -2.524 204 HE2 PHE 29 1HE PHE 29 -2.738 7.116 -0.310 205 HZ PHE 29 HZ PHE 29 -5.166 6.709 -0.384 206 H ILE 30 H ILE 30 -3.700 6.226 -7.202 207 HA ILE 30 HA ILE 30 -6.104 7.864 -6.900 208 HB ILE 30 HB ILE 30 -6.545 7.806 -9.325 209 HG12 ILE 30 1HG1 ILE 30 -3.681 7.149 -9.856 210 HG13 ILE 30 2HG1 ILE 30 -4.795 5.825 -9.533 211 HG21 ILE 30 1HG2 ILE 30 -4.879 9.525 -9.965 212 HG22 ILE 30 2HG2 ILE 30 -5.605 9.810 -8.384 213 HG23 ILE 30 3HG2 ILE 30 -3.975 9.147 -8.499 214 HD11 ILE 30 3HD1 ILE 30 -6.125 6.376 -11.411 215 HD12 ILE 30 1HD1 ILE 30 -5.277 7.905 -11.644 216 HD13 ILE 30 2HD1 ILE 30 -4.444 6.380 -11.945 217 H GLU 31 H GLU 31 -8.060 6.776 -7.666 218 HA GLU 31 HA GLU 31 -8.347 4.208 -6.695 219 HB2 GLU 31 1HB GLU 31 -10.201 5.807 -7.173 220 HB3 GLU 31 2HB GLU 31 -10.015 5.455 -8.886 221 HG2 GLU 31 1HG GLU 31 -10.342 2.976 -8.072 222 HG3 GLU 31 2HG GLU 31 -11.132 3.769 -6.710 223 H GLY 32 H GLY 32 -7.652 2.299 -7.381 224 HA2 GLY 32 1HA GLY 32 -7.581 0.580 -9.051 225 HA3 GLY 32 2HA GLY 32 -7.425 1.830 -10.277 226 H GLU 33 H GLU 33 -5.589 1.655 -7.274 227 HA GLU 33 HA GLU 33 -3.185 1.005 -8.843 228 HB2 GLU 33 1HB GLU 33 -3.569 3.189 -6.808 229 HB3 GLU 33 2HB GLU 33 -1.975 2.549 -7.181 230 HG2 GLU 33 1HG GLU 33 -3.857 3.784 -9.178 231 HG3 GLU 33 2HG GLU 33 -2.489 4.600 -8.422 232 H VAL 34 H VAL 34 -1.482 -0.026 -7.667 233 HA VAL 34 HA VAL 34 -2.441 -1.429 -5.259 234 HB VAL 34 HB VAL 34 -0.417 -2.391 -7.287 235 HG11 VAL 34 1HG1 VAL 34 -1.117 -3.268 -4.600 236 HG12 VAL 34 2HG1 VAL 34 -1.261 -4.551 -5.804 237 HG13 VAL 34 3HG1 VAL 34 0.267 -3.693 -5.606 238 HG21 VAL 34 3HG2 VAL 34 -2.388 -4.180 -7.450 239 HG22 VAL 34 1HG2 VAL 34 -3.342 -2.765 -7.003 240 HG23 VAL 34 2HG2 VAL 34 -2.338 -2.731 -8.454 241 H ILE 35 H ILE 35 -1.407 -1.001 -3.430 242 HA ILE 35 HA ILE 35 1.267 0.220 -3.580 243 HB ILE 35 HB ILE 35 -0.741 0.362 -1.328 244 HG12 ILE 35 1HG1 ILE 35 0.136 2.537 -3.236 245 HG13 ILE 35 2HG1 ILE 35 -1.354 1.618 -3.413 246 HG21 ILE 35 1HG2 ILE 35 1.653 0.450 -0.649 247 HG22 ILE 35 2HG2 ILE 35 1.839 1.879 -1.665 248 HG23 ILE 35 3HG2 ILE 35 0.749 1.919 -0.281 249 HD11 ILE 35 3HD1 ILE 35 -2.233 3.342 -2.286 250 HD12 ILE 35 1HD1 ILE 35 -1.615 2.483 -0.876 251 HD13 ILE 35 2HD1 ILE 35 -0.687 3.808 -1.579 252 H ILE 36 H ILE 36 2.946 -0.573 -2.366 253 HA ILE 36 HA ILE 36 2.505 -3.228 -1.183 254 HB ILE 36 HB ILE 36 5.074 -1.968 -2.151 255 HG12 ILE 36 1HG1 ILE 36 3.515 -2.591 -3.962 256 HG13 ILE 36 2HG1 ILE 36 4.958 -3.599 -3.963 257 HG21 ILE 36 1HG2 ILE 36 4.540 -4.748 -1.110 258 HG22 ILE 36 2HG2 ILE 36 6.066 -4.171 -1.780 259 HG23 ILE 36 3HG2 ILE 36 5.447 -3.484 -0.279 260 HD11 ILE 36 3HD1 ILE 36 2.923 -4.814 -2.360 261 HD12 ILE 36 1HD1 ILE 36 2.287 -4.421 -3.957 262 HD13 ILE 36 2HD1 ILE 36 3.728 -5.426 -3.804 263 H VAL 37 H VAL 37 2.071 -2.952 0.932 264 HA VAL 37 HA VAL 37 3.149 -0.898 2.552 265 HB VAL 37 HB VAL 37 1.866 -3.519 3.328 266 HG11 VAL 37 1HG1 VAL 37 3.348 -1.749 4.938 267 HG12 VAL 37 2HG1 VAL 37 1.648 -1.488 5.330 268 HG13 VAL 37 3HG1 VAL 37 2.345 -3.104 5.455 269 HG21 VAL 37 3HG2 VAL 37 0.565 -0.864 3.652 270 HG22 VAL 37 1HG2 VAL 37 0.641 -1.571 2.038 271 HG23 VAL 37 2HG2 VAL 37 -0.154 -2.446 3.347 272 H THR 38 H THR 38 5.175 -0.714 3.218 273 HA THR 38 HA THR 38 6.697 -3.172 3.800 274 HB THR 38 HB THR 38 8.755 -1.832 3.246 275 HG1 THR 38 1HG THR 38 8.455 0.221 2.873 276 HG21 THR 38 3HG2 THR 38 8.358 -3.270 1.528 277 HG22 THR 38 1HG2 THR 38 8.040 -1.765 0.668 278 HG23 THR 38 2HG2 THR 38 6.699 -2.716 1.304 279 H GLY 39 H GLY 39 6.144 0.211 4.669 280 HA2 GLY 39 1HA GLY 39 7.261 -0.399 7.335 281 HA3 GLY 39 2HA GLY 39 7.522 1.147 6.542 282 H GLU 40 H GLU 40 4.796 -0.979 7.424 283 HA GLU 40 HA GLU 40 2.795 0.915 7.469 284 HB2 GLU 40 1HB GLU 40 1.554 -0.573 8.885 285 HB3 GLU 40 2HB GLU 40 2.492 -1.546 7.761 286 HG2 GLU 40 1HG GLU 40 2.949 -1.108 10.687 287 HG3 GLU 40 2HG GLU 40 2.703 -2.623 9.820 288 H GLU 41 H GLU 41 2.737 2.801 8.485 289 HA GLU 41 HA GLU 41 4.345 3.406 10.751 290 HB2 GLU 41 1HB GLU 41 3.288 4.948 8.875 291 HB3 GLU 41 2HB GLU 41 1.980 5.082 10.042 292 HG2 GLU 41 1HG GLU 41 3.385 6.065 11.657 293 HG3 GLU 41 2HG GLU 41 4.840 5.633 10.762 294 H ASP 42 H ASP 42 0.797 3.624 10.492 295 HA ASP 42 HA ASP 42 0.630 2.583 13.245 296 HB2 ASP 42 1HB ASP 42 -1.257 4.600 12.019 297 HB3 ASP 42 2HB ASP 42 -1.206 4.068 13.697 298 H GLN 43 H GLN 43 -1.913 2.083 13.617 299 HA GLN 43 HA GLN 43 -2.429 -0.159 11.918 300 HB2 GLN 43 1HB GLN 43 -3.953 1.071 14.211 301 HB3 GLN 43 2HB GLN 43 -4.528 -0.342 13.337 302 HG2 GLN 43 1HG GLN 43 -2.143 -1.271 13.912 303 HG3 GLN 43 2HG GLN 43 -2.223 -0.065 15.195 304 HE21 GLN 43 1HE2 GLN 43 -2.725 -1.029 17.021 305 HE22 GLN 43 2HE2 GLN 43 -3.944 -2.234 17.238 306 H GLU 44 H GLU 44 -3.262 3.131 11.817 307 HA GLU 44 HA GLU 44 -5.556 2.607 10.055 308 HB2 GLU 44 1HB GLU 44 -4.737 5.269 11.217 309 HB3 GLU 44 2HB GLU 44 -6.269 4.854 10.461 310 HG2 GLU 44 1HG GLU 44 -6.901 4.749 12.631 311 HG3 GLU 44 2HG GLU 44 -6.347 3.088 12.425 312 H TRP 45 H TRP 45 -2.371 4.018 10.204 313 HA TRP 45 HA TRP 45 -2.552 4.622 7.324 314 HB2 TRP 45 1HB TRP 45 -0.959 6.037 9.470 315 HB3 TRP 45 2HB TRP 45 -0.752 6.322 7.744 316 HD1 TRP 45 HD TRP 45 -3.501 6.637 10.453 317 HE1 TRP 45 1HE TRP 45 -5.067 8.565 9.776 318 HE3 TRP 45 3HE TRP 45 -1.460 7.782 5.909 319 HZ2 TRP 45 2HZ TRP 45 -5.393 10.335 7.602 320 HZ3 TRP 45 3HZ TRP 45 -2.458 9.605 4.593 321 HH2 TRP 45 HH TRP 45 -4.385 10.854 5.424 322 H TRP 46 H TRP 46 -1.208 3.540 6.039 323 HA TRP 46 HA TRP 46 1.099 2.180 7.270 324 HB2 TRP 46 1HB TRP 46 -0.790 1.236 5.118 325 HB3 TRP 46 2HB TRP 46 0.788 0.495 5.373 326 HD1 TRP 46 HD TRP 46 0.000 1.178 8.732 327 HE1 TRP 46 1HE TRP 46 -1.253 -0.745 9.896 328 HE3 TRP 46 3HE TRP 46 -1.542 -1.406 4.598 329 HZ2 TRP 46 2HZ TRP 46 -2.702 -3.052 9.160 330 HZ3 TRP 46 3HZ TRP 46 -2.856 -3.461 4.916 331 HH2 TRP 46 HH TRP 46 -3.423 -4.265 7.150 332 H ILE 47 H ILE 47 2.888 1.714 5.747 333 HA ILE 47 HA ILE 47 3.138 3.855 3.734 334 HB ILE 47 HB ILE 47 5.372 2.630 5.356 335 HG12 ILE 47 1HG1 ILE 47 4.161 5.391 5.587 336 HG13 ILE 47 2HG1 ILE 47 3.800 4.059 6.679 337 HG21 ILE 47 1HG2 ILE 47 5.313 4.886 3.360 338 HG22 ILE 47 2HG2 ILE 47 6.678 4.537 4.421 339 HG23 ILE 47 3HG2 ILE 47 6.171 3.351 3.219 340 HD11 ILE 47 3HD1 ILE 47 6.266 5.691 6.421 341 HD12 ILE 47 1HD1 ILE 47 5.403 5.160 7.864 342 HD13 ILE 47 2HD1 ILE 47 6.407 4.020 6.966 343 H GLY 48 H GLY 48 3.777 3.315 1.717 344 HA2 GLY 48 1HA GLY 48 5.142 0.844 1.153 345 HA3 GLY 48 2HA GLY 48 3.460 0.832 0.645 346 H HIS 49 H HIS 49 5.220 0.459 -1.297 347 HA HIS 49 HA HIS 49 5.425 3.074 -2.643 348 HB2 HIS 49 1HB HIS 49 7.256 2.000 -4.001 349 HB3 HIS 49 2HB HIS 49 7.639 2.241 -2.300 350 HD1 HIS 49 1HD HIS 49 6.113 -0.593 -4.348 351 HD2 HIS 49 2HD HIS 49 8.849 0.058 -1.290 352 HE1 HIS 49 1HE HIS 49 7.011 -2.866 -3.754 353 HE2 HIS 49 2HE HIS 49 8.601 -2.456 -1.844 354 H ILE 50 H ILE 50 4.606 3.287 -4.677 355 HA ILE 50 HA ILE 50 2.520 1.642 -5.506 356 HB ILE 50 HB ILE 50 4.172 3.526 -7.191 357 HG12 ILE 50 1HG1 ILE 50 3.138 4.618 -5.253 358 HG13 ILE 50 2HG1 ILE 50 2.366 5.134 -6.748 359 HG21 ILE 50 1HG2 ILE 50 3.007 2.761 -8.919 360 HG22 ILE 50 2HG2 ILE 50 2.030 1.732 -7.873 361 HG23 ILE 50 3HG2 ILE 50 1.554 3.406 -8.155 362 HD11 ILE 50 3HD1 ILE 50 0.502 4.758 -5.547 363 HD12 ILE 50 1HD1 ILE 50 0.754 3.104 -6.103 364 HD13 ILE 50 2HD1 ILE 50 1.285 3.583 -4.491 365 H GLU 51 H GLU 51 2.587 -0.371 -6.234 366 HA GLU 51 HA GLU 51 4.630 -1.985 -6.800 367 HB2 GLU 51 1HB GLU 51 2.127 -2.488 -6.949 368 HB3 GLU 51 2HB GLU 51 2.236 -1.983 -8.629 369 HG2 GLU 51 1HG GLU 51 4.131 -4.045 -7.634 370 HG3 GLU 51 2HG GLU 51 2.457 -4.503 -7.942 371 H GLY 52 H GLY 52 6.150 -2.329 -8.330 372 HA2 GLY 52 1HA GLY 52 7.270 -2.140 -10.354 373 HA3 GLY 52 2HA GLY 52 5.935 -1.174 -10.967 374 H GLN 53 H GLN 53 5.901 0.854 -9.040 375 HA GLN 53 HA GLN 53 8.409 2.231 -9.706 376 HB2 GLN 53 1HB GLN 53 5.600 3.161 -9.265 377 HB3 GLN 53 2HB GLN 53 6.929 4.275 -8.973 378 HG2 GLN 53 1HG GLN 53 6.384 4.736 -11.155 379 HG3 GLN 53 2HG GLN 53 7.703 3.583 -11.343 380 HE21 GLN 53 1HE2 GLN 53 4.178 3.541 -10.909 381 HE22 GLN 53 2HE2 GLN 53 3.875 2.340 -12.114 382 HA PRO 54 HA PRO 54 8.980 1.526 -5.233 383 HB2 PRO 54 1HB PRO 54 11.691 1.610 -5.361 384 HB3 PRO 54 2HB PRO 54 10.758 0.154 -5.723 385 HG2 PRO 54 1HG PRO 54 11.952 2.154 -7.603 386 HG3 PRO 54 2HG PRO 54 11.938 0.384 -7.714 387 HD2 PRO 54 1HD PRO 54 10.227 1.945 -9.116 388 HD3 PRO 54 2HD PRO 54 9.785 0.327 -8.534 389 H GLU 55 H GLU 55 10.660 3.862 -7.315 390 HA GLU 55 HA GLU 55 11.709 5.616 -5.527 391 HB2 GLU 55 1HB GLU 55 11.284 7.408 -7.174 392 HB3 GLU 55 2HB GLU 55 11.922 5.949 -7.917 393 HG2 GLU 55 1HG GLU 55 9.740 5.341 -8.722 394 HG3 GLU 55 2HG GLU 55 9.009 6.695 -7.865 395 H ARG 56 H ARG 56 8.311 5.334 -6.440 396 HA ARG 56 HA ARG 56 7.528 7.550 -4.755 397 HB2 ARG 56 1HB ARG 56 5.901 5.534 -6.313 398 HB3 ARG 56 2HB ARG 56 5.215 6.883 -5.418 399 HG2 ARG 56 1HG ARG 56 6.683 8.378 -6.864 400 HG3 ARG 56 2HG ARG 56 6.929 6.954 -7.876 401 HD2 ARG 56 1HD ARG 56 5.132 8.093 -8.864 402 HD3 ARG 56 2HD ARG 56 4.390 6.776 -7.956 403 HE ARG 56 HE ARG 56 3.416 8.319 -6.557 404 HH11 ARG 56 1HH1 ARG 56 5.811 9.880 -8.544 405 HH12 ARG 56 2HH1 ARG 56 5.339 11.482 -8.082 406 HH21 ARG 56 1HH2 ARG 56 2.786 10.423 -5.941 407 HH22 ARG 56 2HH2 ARG 56 3.619 11.789 -6.600 408 H LYS 57 H LYS 57 7.724 7.206 -2.625 409 HA LYS 57 HA LYS 57 6.214 4.988 -1.466 410 HB2 LYS 57 1HB LYS 57 8.038 4.444 0.090 411 HB3 LYS 57 2HB LYS 57 8.504 4.160 -1.582 412 HG2 LYS 57 1HG LYS 57 9.549 6.499 -1.483 413 HG3 LYS 57 2HG LYS 57 9.386 6.344 0.268 414 HD2 LYS 57 1HD LYS 57 10.919 4.625 0.392 415 HD3 LYS 57 2HD LYS 57 10.663 4.136 -1.285 416 HE2 LYS 57 1HE LYS 57 11.812 6.163 -2.043 417 HE3 LYS 57 2HE LYS 57 12.070 6.642 -0.365 418 HZ1 LYS 57 3HZ LYS 57 14.006 5.541 -1.434 419 HZ2 LYS 57 1HZ LYS 57 13.100 4.116 -1.532 420 HZ3 LYS 57 2HZ LYS 57 13.478 4.774 -0.021 421 H GLY 58 H GLY 58 4.801 5.888 -0.124 422 HA2 GLY 58 1HA GLY 58 5.696 7.758 1.894 423 HA3 GLY 58 2HA GLY 58 4.583 8.442 0.719 424 H VAL 59 H VAL 59 4.126 8.181 3.530 425 HA VAL 59 HA VAL 59 2.556 5.969 4.222 426 HB VAL 59 HB VAL 59 3.409 7.574 5.877 427 HG11 VAL 59 1HG1 VAL 59 3.166 9.670 4.828 428 HG12 VAL 59 2HG1 VAL 59 1.439 9.425 4.561 429 HG13 VAL 59 3HG1 VAL 59 2.051 9.695 6.193 430 HG21 VAL 59 3HG2 VAL 59 0.500 7.807 6.303 431 HG22 VAL 59 1HG2 VAL 59 1.107 6.179 5.995 432 HG23 VAL 59 2HG2 VAL 59 1.750 7.120 7.341 433 H PHE 60 H PHE 60 0.360 5.577 4.179 434 HA PHE 60 HA PHE 60 -1.403 7.499 2.887 435 HB2 PHE 60 1HB PHE 60 -2.227 5.840 1.259 436 HB3 PHE 60 2HB PHE 60 -0.526 6.215 1.005 437 HD1 PHE 60 2HD PHE 60 1.190 4.600 2.021 438 HD2 PHE 60 1HD PHE 60 -2.922 3.642 1.486 439 HE1 PHE 60 2HE PHE 60 1.737 2.205 2.143 440 HE2 PHE 60 1HE PHE 60 -2.383 1.245 1.607 441 HZ PHE 60 HZ PHE 60 -0.051 0.523 1.934 442 HA PRO 61 HA PRO 61 -4.324 5.931 5.768 443 HB2 PRO 61 1HB PRO 61 -6.643 6.472 4.465 444 HB3 PRO 61 2HB PRO 61 -5.643 7.726 5.207 445 HG2 PRO 61 1HG PRO 61 -5.802 6.880 2.340 446 HG3 PRO 61 2HG PRO 61 -5.727 8.515 3.021 447 HD2 PRO 61 1HD PRO 61 -3.562 7.276 1.973 448 HD3 PRO 61 2HD PRO 61 -3.444 8.423 3.321 449 H VAL 62 H VAL 62 -4.671 3.844 6.163 450 HA VAL 62 HA VAL 62 -4.874 1.853 4.180 451 HB VAL 62 HB VAL 62 -5.703 1.685 7.080 452 HG11 VAL 62 1HG1 VAL 62 -5.358 -0.349 4.919 453 HG12 VAL 62 2HG1 VAL 62 -5.028 -0.785 6.597 454 HG13 VAL 62 3HG1 VAL 62 -6.627 -0.206 6.133 455 HG21 VAL 62 3HG2 VAL 62 -3.138 0.561 6.117 456 HG22 VAL 62 1HG2 VAL 62 -3.241 2.315 6.260 457 HG23 VAL 62 2HG2 VAL 62 -3.543 1.296 7.668 458 H SER 63 H SER 63 -7.252 3.804 5.804 459 HA SER 63 HA SER 63 -9.523 2.204 5.278 460 HB2 SER 63 1HB SER 63 -10.797 4.334 5.660 461 HB3 SER 63 2HB SER 63 -9.660 3.936 6.948 462 HG SER 63 HG SER 63 -8.862 5.841 6.598 463 H PHE 64 H PHE 64 -7.492 3.809 3.185 464 HA PHE 64 HA PHE 64 -9.593 4.302 1.197 465 HB2 PHE 64 1HB PHE 64 -6.802 5.304 1.567 466 HB3 PHE 64 2HB PHE 64 -7.475 5.258 -0.059 467 HD1 PHE 64 2HD PHE 64 -8.661 6.265 3.338 468 HD2 PHE 64 1HD PHE 64 -8.322 7.250 -0.789 469 HE1 PHE 64 2HE PHE 64 -9.806 8.401 3.758 470 HE2 PHE 64 1HE PHE 64 -9.466 9.388 -0.375 471 HZ PHE 64 HZ PHE 64 -10.211 9.966 1.900 472 H VAL 65 H VAL 65 -7.184 2.065 2.054 473 HA VAL 65 HA VAL 65 -7.297 0.843 -0.628 474 HB VAL 65 HB VAL 65 -5.149 -0.165 -0.238 475 HG11 VAL 65 1HG1 VAL 65 -5.267 2.781 0.343 476 HG12 VAL 65 2HG1 VAL 65 -3.744 1.924 0.094 477 HG13 VAL 65 3HG1 VAL 65 -4.948 1.979 -1.195 478 HG21 VAL 65 3HG2 VAL 65 -4.194 -0.442 1.767 479 HG22 VAL 65 1HG2 VAL 65 -4.487 1.232 2.236 480 HG23 VAL 65 2HG2 VAL 65 -5.760 0.027 2.430 481 H HIS 66 H HIS 66 -7.356 -1.474 -0.723 482 HA HIS 66 HA HIS 66 -8.397 -2.738 1.726 483 HB2 HIS 66 1HB HIS 66 -10.197 -3.627 0.638 484 HB3 HIS 66 2HB HIS 66 -9.985 -2.188 -0.356 485 HD1 HIS 66 1HD HIS 66 -8.747 -2.562 -2.681 486 HD2 HIS 66 2HD HIS 66 -9.903 -6.014 -0.680 487 HE1 HIS 66 1HE HIS 66 -8.641 -4.400 -4.395 488 HE2 HIS 66 2HE HIS 66 -9.427 -6.463 -3.183 489 H ILE 67 H ILE 67 -7.272 -4.447 2.367 490 HA ILE 67 HA ILE 67 -5.004 -5.403 1.055 491 HB ILE 67 HB ILE 67 -6.693 -6.726 3.178 492 HG12 ILE 67 1HG1 ILE 67 -3.998 -5.399 3.465 493 HG13 ILE 67 2HG1 ILE 67 -5.506 -4.510 3.643 494 HG21 ILE 67 1HG2 ILE 67 -4.347 -7.682 1.697 495 HG22 ILE 67 2HG2 ILE 67 -4.224 -7.815 3.451 496 HG23 ILE 67 3HG2 ILE 67 -5.565 -8.581 2.600 497 HD11 ILE 67 3HD1 ILE 67 -4.484 -5.261 5.778 498 HD12 ILE 67 1HD1 ILE 67 -6.135 -5.825 5.528 499 HD13 ILE 67 2HD1 ILE 67 -4.780 -6.925 5.277 500 H LEU 68 H LEU 68 -4.746 -6.707 -0.627 501 HA LEU 68 HA LEU 68 -6.997 -7.977 -1.870 502 HB2 LEU 68 1HB LEU 68 -4.110 -8.403 -2.581 503 HB3 LEU 68 2HB LEU 68 -5.525 -8.550 -3.623 504 HG LEU 68 HG LEU 68 -4.694 -5.909 -2.456 505 HD11 LEU 68 1HD1 LEU 68 -3.726 -7.196 -5.003 506 HD12 LEU 68 2HD1 LEU 68 -2.750 -6.693 -3.622 507 HD13 LEU 68 3HD1 LEU 68 -3.555 -5.483 -4.620 508 HD21 LEU 68 3HD2 LEU 68 -6.016 -4.985 -4.192 509 HD22 LEU 68 1HD2 LEU 68 -6.976 -6.273 -3.463 510 HD23 LEU 68 2HD2 LEU 68 -6.165 -6.544 -5.005 511 H SER 69 H SER 69 -7.659 -10.027 -1.711 512 HA SER 69 HA SER 69 -5.897 -11.956 -0.348 513 HB2 SER 69 1HB SER 69 -7.865 -12.920 0.750 514 HB3 SER 69 2HB SER 69 -7.703 -11.213 1.163 515 HG SER 69 HG SER 69 -9.428 -10.736 -0.038 516 H ASP 70 H ASP 70 -5.577 -13.817 -1.385 517 HA ASP 70 HA ASP 70 -7.333 -14.443 -3.670 518 HB2 ASP 70 1HB ASP 70 -5.271 -15.721 -4.512 519 HB3 ASP 70 2HB ASP 70 -5.222 -13.962 -4.590 520 H SER 71 H SER 71 -8.748 -15.693 -2.393 521 HA SER 71 HA SER 71 -7.626 -18.082 -1.125 522 HB2 SER 71 1HB SER 71 -10.464 -17.029 -1.054 523 HB3 SER 71 2HB SER 71 -9.818 -18.353 -0.085 524 HG SER 71 HG SER 71 -9.408 -15.600 0.150 525 H GLY 72 H GLY 72 -7.518 -19.892 -2.266 526 HA2 GLY 72 1HA GLY 72 -9.589 -20.371 -4.319 527 HA3 GLY 72 2HA GLY 72 -7.899 -20.776 -4.576 528 HA PRO 73 HA PRO 73 -9.886 -23.875 -1.378 529 HB2 PRO 73 1HB PRO 73 -12.552 -24.229 -1.745 530 HB3 PRO 73 2HB PRO 73 -11.887 -23.049 -0.609 531 HG2 PRO 73 1HG PRO 73 -12.929 -22.630 -3.385 532 HG3 PRO 73 2HG PRO 73 -13.194 -21.650 -1.930 533 HD2 PRO 73 1HD PRO 73 -11.399 -20.968 -3.840 534 HD3 PRO 73 2HD PRO 73 -11.157 -20.589 -2.122 535 H SER 74 H SER 74 -9.328 -25.827 -2.086 536 HA SER 74 HA SER 74 -10.110 -26.641 -4.791 537 HB2 SER 74 1HB SER 74 -8.345 -28.411 -4.470 538 HB3 SER 74 2HB SER 74 -7.739 -26.755 -4.422 539 HG SER 74 HG SER 74 -6.895 -27.412 -2.603 540 H SER 75 H SER 75 -11.297 -28.443 -5.204 541 HA SER 75 HA SER 75 -12.447 -29.805 -2.862 542 HB2 SER 75 1HB SER 75 -14.335 -30.386 -4.402 543 HB3 SER 75 2HB SER 75 -14.134 -28.652 -4.153 544 HG SER 75 HG SER 75 -14.318 -29.749 -6.428 545 H GLY 76 H GLY 76 -13.266 -32.096 -3.461 546 HA2 GLY 76 1HA GLY 76 -11.120 -33.780 -3.837 547 HA3 GLY 76 2HA GLY 76 -12.791 -34.249 -4.115
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