NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
544116 | 2lte | 18468 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -50.984 -0.241 -20.014 2 H2 MET 1 2H MET 1 -52.199 0.461 -20.949 3 H3 MET 1 3H MET 1 -52.297 0.507 -19.264 4 HA MET 1 HA MET 1 -50.249 1.843 -20.923 5 HB2 MET 1 1HB MET 1 -52.548 3.019 -19.283 6 HB3 MET 1 2HB MET 1 -51.340 3.959 -20.154 7 HG2 MET 1 1HG MET 1 -52.185 3.143 -22.289 8 HG3 MET 1 2HG MET 1 -53.316 2.068 -21.461 9 HE1 MET 1 3HE MET 1 -55.738 4.762 -22.987 10 HE2 MET 1 1HE MET 1 -55.383 3.040 -22.857 11 HE3 MET 1 2HE MET 1 -54.287 4.105 -23.742 12 H GLY 2 H GLY 2 -48.444 2.459 -19.820 13 HA2 GLY 2 1HA GLY 2 -47.276 3.353 -17.954 14 HA3 GLY 2 2HA GLY 2 -48.459 2.637 -16.870 15 H SER 3 H SER 3 -45.771 1.937 -19.041 16 HA SER 3 HA SER 3 -44.614 0.010 -17.267 17 HB2 SER 3 1HB SER 3 -44.593 -1.894 -18.964 18 HB3 SER 3 2HB SER 3 -46.195 -1.547 -18.296 19 HG SER 3 HG SER 3 -45.971 -0.036 -20.419 20 H SER 4 H SER 4 -42.463 -0.327 -17.744 21 HA SER 4 HA SER 4 -41.204 0.510 -20.207 22 HB2 SER 4 1HB SER 4 -41.454 2.677 -18.920 23 HB3 SER 4 2HB SER 4 -40.504 1.970 -17.609 24 HG SER 4 HG SER 4 -39.312 3.309 -19.128 25 H HIS 5 H HIS 5 -41.236 -1.938 -19.637 26 HA HIS 5 HA HIS 5 -39.621 -2.941 -17.535 27 HB2 HIS 5 1HB HIS 5 -41.470 -4.271 -18.498 28 HB3 HIS 5 2HB HIS 5 -40.628 -4.349 -20.041 29 HD1 HIS 5 HD1 HIS 5 -38.524 -5.908 -20.173 30 HD2 HIS 5 HD2 HIS 5 -40.559 -6.092 -16.557 31 HE1 HIS 5 HE1 HIS 5 -37.630 -7.928 -18.991 32 HE2 HIS 5 HE2 HIS 5 -38.949 -8.074 -16.860 33 H ASP 6 H ASP 6 -37.509 -3.059 -17.418 34 HA ASP 6 HA ASP 6 -35.853 -3.839 -19.698 35 HB2 ASP 6 1HB ASP 6 -35.712 -1.356 -19.688 36 HB3 ASP 6 2HB ASP 6 -35.258 -1.362 -17.987 37 H HIS 7 H HIS 7 -34.814 -5.610 -18.968 38 HA HIS 7 HA HIS 7 -34.182 -5.877 -16.069 39 HB2 HIS 7 1HB HIS 7 -35.996 -7.412 -17.047 40 HB3 HIS 7 2HB HIS 7 -34.736 -8.156 -18.021 41 HD1 HIS 7 HD1 HIS 7 -35.093 -10.450 -16.865 42 HD2 HIS 7 HD2 HIS 7 -33.998 -7.407 -14.245 43 HE1 HIS 7 HE1 HIS 7 -34.548 -11.578 -14.697 44 HE2 HIS 7 HE2 HIS 7 -33.832 -9.731 -13.144 45 H HIS 8 H HIS 8 -32.474 -4.533 -17.845 46 HA HIS 8 HA HIS 8 -30.439 -6.044 -19.035 47 HB2 HIS 8 1HB HIS 8 -30.760 -3.605 -19.418 48 HB3 HIS 8 2HB HIS 8 -30.195 -3.264 -17.791 49 HD1 HIS 8 HD1 HIS 8 -28.984 -4.117 -21.216 50 HD2 HIS 8 HD2 HIS 8 -27.358 -3.532 -17.436 51 HE1 HIS 8 HE1 HIS 8 -26.510 -3.904 -21.562 52 HE2 HIS 8 HE2 HIS 8 -25.577 -3.436 -19.281 53 H HIS 9 H HIS 9 -28.860 -7.240 -18.216 54 HA HIS 9 HA HIS 9 -28.142 -7.129 -15.364 55 HB2 HIS 9 1HB HIS 9 -27.608 -9.264 -17.478 56 HB3 HIS 9 2HB HIS 9 -27.104 -9.368 -15.792 57 HD1 HIS 9 HD1 HIS 9 -29.860 -10.223 -18.007 58 HD2 HIS 9 HD2 HIS 9 -29.411 -9.458 -13.952 59 HE1 HIS 9 HE1 HIS 9 -31.898 -11.166 -16.909 60 HE2 HIS 9 HE2 HIS 9 -31.463 -10.928 -14.450 61 H HIS 10 H HIS 10 -26.138 -6.444 -14.753 62 HA HIS 10 HA HIS 10 -24.372 -5.151 -16.575 63 HB2 HIS 10 1HB HIS 10 -24.481 -4.459 -14.222 64 HB3 HIS 10 2HB HIS 10 -23.920 -6.041 -13.690 65 HD1 HIS 10 HD1 HIS 10 -21.370 -6.582 -14.073 66 HD2 HIS 10 HD2 HIS 10 -22.454 -2.708 -15.100 67 HE1 HIS 10 HE1 HIS 10 -19.222 -5.341 -14.393 68 HE2 HIS 10 HE2 HIS 10 -19.901 -2.983 -14.920 69 H SER 11 H SER 11 -24.483 -8.339 -15.176 70 HA SER 11 HA SER 11 -23.474 -10.304 -15.540 71 HB2 SER 11 1HB SER 11 -22.062 -9.018 -17.921 72 HB3 SER 11 2HB SER 11 -22.222 -10.752 -17.613 73 HG SER 11 HG SER 11 -24.193 -8.873 -18.363 74 H SER 12 H SER 12 -21.921 -11.135 -14.294 75 HA SER 12 HA SER 12 -19.221 -10.029 -14.095 76 HB2 SER 12 1HB SER 12 -19.433 -9.990 -11.544 77 HB3 SER 12 2HB SER 12 -20.357 -8.739 -12.381 78 HG SER 12 HG SER 12 -22.184 -9.668 -11.806 79 H GLY 13 H GLY 13 -20.359 -12.401 -15.228 80 HA2 GLY 13 1HA GLY 13 -20.162 -14.736 -13.697 81 HA3 GLY 13 2HA GLY 13 -19.931 -14.620 -15.434 82 H ARG 14 H ARG 14 -18.414 -15.015 -12.406 83 HA ARG 14 HA ARG 14 -15.739 -15.320 -13.616 84 HB2 ARG 14 1HB ARG 14 -15.911 -13.073 -12.460 85 HB3 ARG 14 2HB ARG 14 -16.309 -13.914 -10.964 86 HG2 ARG 14 1HG ARG 14 -14.058 -15.108 -11.177 87 HG3 ARG 14 2HG ARG 14 -13.688 -13.986 -12.488 88 HD2 ARG 14 1HD ARG 14 -14.258 -13.291 -9.596 89 HD3 ARG 14 2HD ARG 14 -12.701 -13.177 -10.420 90 HE ARG 14 HE ARG 14 -14.110 -11.516 -11.919 91 HH11 ARG 14 1HH1 ARG 14 -14.135 -11.774 -8.408 92 HH12 ARG 14 2HH1 ARG 14 -14.423 -10.089 -8.165 93 HH21 ARG 14 1HH2 ARG 14 -14.524 -9.301 -11.562 94 HH22 ARG 14 2HH2 ARG 14 -14.659 -8.690 -9.948 95 H GLU 15 H GLU 15 -14.613 -17.069 -12.784 96 HA GLU 15 HA GLU 15 -15.384 -18.446 -10.369 97 HB2 GLU 15 1HB GLU 15 -17.159 -19.146 -12.007 98 HB3 GLU 15 2HB GLU 15 -15.907 -19.822 -13.042 99 HG2 GLU 15 1HG GLU 15 -15.337 -21.470 -11.335 100 HG3 GLU 15 2HG GLU 15 -16.488 -20.750 -10.209 101 H ASN 16 H ASN 16 -13.298 -18.380 -9.734 102 HA ASN 16 HA ASN 16 -11.503 -20.409 -10.692 103 HB2 ASN 16 1HB ASN 16 -10.949 -18.559 -12.300 104 HB3 ASN 16 2HB ASN 16 -10.581 -17.502 -10.941 105 HD21 ASN 16 2HD2 ASN 16 -8.430 -17.211 -11.616 106 HD22 ASN 16 1HD2 ASN 16 -7.241 -18.458 -11.498 107 H LEU 17 H LEU 17 -11.295 -21.241 -8.671 108 HA LEU 17 HA LEU 17 -10.706 -19.449 -6.365 109 HB2 LEU 17 1HB LEU 17 -12.239 -22.088 -6.422 110 HB3 LEU 17 2HB LEU 17 -11.719 -21.292 -4.947 111 HG LEU 17 HG LEU 17 -13.157 -19.273 -5.688 112 HD11 LEU 17 1HD1 LEU 17 -14.349 -21.298 -7.600 113 HD12 LEU 17 2HD1 LEU 17 -13.497 -19.815 -8.028 114 HD13 LEU 17 3HD1 LEU 17 -15.046 -19.724 -7.199 115 HD21 LEU 17 3HD2 LEU 17 -13.810 -20.759 -3.856 116 HD22 LEU 17 1HD2 LEU 17 -14.577 -21.868 -4.997 117 HD23 LEU 17 2HD2 LEU 17 -15.221 -20.238 -4.771 118 H TYR 18 H TYR 18 -8.647 -19.623 -5.783 119 HA TYR 18 HA TYR 18 -7.341 -22.281 -5.615 120 HB2 TYR 18 1HB TYR 18 -6.062 -19.603 -6.322 121 HB3 TYR 18 2HB TYR 18 -5.136 -21.038 -5.889 122 HD1 TYR 18 HD2 TYR 18 -6.274 -23.236 -7.363 123 HD2 TYR 18 HD1 TYR 18 -5.837 -19.175 -8.627 124 HE1 TYR 18 HE2 TYR 18 -6.221 -23.968 -9.711 125 HE2 TYR 18 HE1 TYR 18 -5.783 -19.911 -10.963 126 HH TYR 18 HH TYR 18 -5.249 -21.920 -12.247 127 H PHE 19 H PHE 19 -5.779 -22.464 -3.916 128 HA PHE 19 HA PHE 19 -6.352 -20.833 -1.507 129 HB2 PHE 19 1HB PHE 19 -5.130 -23.630 -1.769 130 HB3 PHE 19 2HB PHE 19 -5.444 -22.792 -0.250 131 HD1 PHE 19 HD1 PHE 19 -7.063 -24.418 -3.188 132 HD2 PHE 19 HD2 PHE 19 -7.678 -22.733 0.699 133 HE1 PHE 19 HE1 PHE 19 -9.341 -25.344 -3.142 134 HE2 PHE 19 HE2 PHE 19 -9.951 -23.673 0.736 135 HZ PHE 19 HZ PHE 19 -10.786 -24.976 -1.180 136 H GLN 20 H GLN 20 -4.475 -20.269 -3.843 137 HA GLN 20 HA GLN 20 -1.781 -20.538 -2.939 138 HB2 GLN 20 1HB GLN 20 -2.400 -20.356 -5.341 139 HB3 GLN 20 2HB GLN 20 -2.928 -18.694 -5.086 140 HG2 GLN 20 1HG GLN 20 -0.604 -18.061 -4.476 141 HG3 GLN 20 2HG GLN 20 -0.090 -19.727 -4.731 142 HE21 GLN 20 2HE2 GLN 20 0.025 -20.526 -6.868 143 HE22 GLN 20 1HE2 GLN 20 0.032 -19.476 -8.241 144 H GLY 21 H GLY 21 -1.619 -19.684 -0.917 145 HA2 GLY 21 1HA GLY 21 -1.228 -16.783 -0.730 146 HA3 GLY 21 2HA GLY 21 -2.409 -17.487 0.375 147 H HIS 22 H HIS 22 0.237 -19.480 -0.533 148 HA HIS 22 HA HIS 22 1.532 -19.143 2.121 149 HB2 HIS 22 1HB HIS 22 1.344 -21.600 0.303 150 HB3 HIS 22 2HB HIS 22 2.327 -21.523 1.766 151 HD1 HIS 22 HD1 HIS 22 1.143 -21.821 3.990 152 HD2 HIS 22 HD2 HIS 22 -1.492 -21.658 0.777 153 HE1 HIS 22 HE1 HIS 22 -1.090 -22.487 4.916 154 HE2 HIS 22 HE2 HIS 22 -2.607 -22.584 2.910 155 H MET 23 H MET 23 3.534 -18.444 2.123 156 HA MET 23 HA MET 23 5.473 -17.518 1.520 157 HB2 MET 23 1HB MET 23 5.495 -19.842 -0.438 158 HB3 MET 23 2HB MET 23 6.852 -18.736 -0.271 159 HG2 MET 23 1HG MET 23 7.103 -19.388 2.089 160 HG3 MET 23 2HG MET 23 5.727 -20.482 1.934 161 HE1 MET 23 3HE MET 23 8.549 -19.864 -0.808 162 HE2 MET 23 1HE MET 23 9.705 -21.110 -0.363 163 HE3 MET 23 2HE MET 23 9.426 -19.734 0.715 164 HA PRO 24 HA PRO 24 3.800 -14.923 -1.930 165 HB2 PRO 24 1HB PRO 24 3.897 -12.527 -0.623 166 HB3 PRO 24 2HB PRO 24 2.532 -13.637 -0.446 167 HG2 PRO 24 1HG PRO 24 4.857 -13.175 1.403 168 HG3 PRO 24 2HG PRO 24 3.140 -13.417 1.795 169 HD2 PRO 24 1HD PRO 24 5.057 -15.411 1.951 170 HD3 PRO 24 2HD PRO 24 3.327 -15.728 1.707 171 H ASN 25 H ASN 25 5.835 -15.696 -2.807 172 HA ASN 25 HA ASN 25 8.430 -14.867 -2.195 173 HB2 ASN 25 1HB ASN 25 7.994 -16.785 -3.647 174 HB3 ASN 25 2HB ASN 25 7.193 -15.776 -4.840 175 HD21 ASN 25 2HD2 ASN 25 8.459 -14.555 -6.269 176 HD22 ASN 25 1HD2 ASN 25 10.163 -14.786 -6.436 177 H ASP 26 H ASP 26 6.134 -13.536 -4.540 178 HA ASP 26 HA ASP 26 7.776 -11.165 -5.050 179 HB2 ASP 26 1HB ASP 26 5.063 -12.023 -6.169 180 HB3 ASP 26 2HB ASP 26 5.941 -10.575 -6.657 181 H MET 27 H MET 27 7.741 -10.115 -3.081 182 HA MET 27 HA MET 27 5.582 -9.310 -1.520 183 HB2 MET 27 1HB MET 27 7.834 -8.833 -0.758 184 HB3 MET 27 2HB MET 27 8.195 -7.893 -2.201 185 HG2 MET 27 1HG MET 27 6.475 -6.218 -1.446 186 HG3 MET 27 2HG MET 27 6.348 -7.120 0.065 187 HE1 MET 27 3HE MET 27 8.324 -3.707 0.681 188 HE2 MET 27 1HE MET 27 6.793 -4.535 0.949 189 HE3 MET 27 2HE MET 27 7.221 -3.963 -0.668 190 H GLU 28 H GLU 28 6.891 -7.940 -4.490 191 HA GLU 28 HA GLU 28 5.373 -5.612 -4.718 192 HB2 GLU 28 1HB GLU 28 6.431 -7.303 -7.027 193 HB3 GLU 28 2HB GLU 28 5.875 -5.638 -7.137 194 HG2 GLU 28 1HG GLU 28 8.200 -5.437 -7.132 195 HG3 GLU 28 2HG GLU 28 7.747 -5.063 -5.472 196 H ASP 29 H ASP 29 4.658 -8.900 -5.861 197 HA ASP 29 HA ASP 29 2.213 -8.372 -7.181 198 HB2 ASP 29 1HB ASP 29 3.314 -10.497 -7.555 199 HB3 ASP 29 2HB ASP 29 3.267 -10.900 -5.840 200 H HIS 30 H HIS 30 2.942 -9.245 -3.814 201 HA HIS 30 HA HIS 30 0.225 -9.521 -2.978 202 HB2 HIS 30 1HB HIS 30 2.353 -10.553 -1.897 203 HB3 HIS 30 2HB HIS 30 2.573 -8.998 -1.102 204 HD1 HIS 30 HD1 HIS 30 0.496 -12.079 -1.051 205 HD2 HIS 30 HD2 HIS 30 0.600 -8.427 0.919 206 HE1 HIS 30 HE1 HIS 30 -1.019 -12.335 0.926 207 HE2 HIS 30 HE2 HIS 30 -1.097 -10.051 1.961 208 H LEU 31 H LEU 31 2.523 -6.839 -3.025 209 HA LEU 31 HA LEU 31 0.964 -5.002 -1.437 210 HB2 LEU 31 1HB LEU 31 3.514 -5.000 -1.769 211 HB3 LEU 31 2HB LEU 31 3.236 -4.352 -3.368 212 HG LEU 31 HG LEU 31 3.961 -2.660 -1.621 213 HD11 LEU 31 1HD1 LEU 31 1.286 -2.022 -2.887 214 HD12 LEU 31 2HD1 LEU 31 2.869 -1.852 -3.647 215 HD13 LEU 31 3HD1 LEU 31 2.453 -0.853 -2.260 216 HD21 LEU 31 3HD2 LEU 31 1.196 -3.069 -0.445 217 HD22 LEU 31 1HD2 LEU 31 2.368 -1.838 0.036 218 HD23 LEU 31 2HD2 LEU 31 2.726 -3.542 0.300 219 H LEU 32 H LEU 32 1.429 -5.734 -4.842 220 HA LEU 32 HA LEU 32 -0.156 -3.686 -5.992 221 HB2 LEU 32 1HB LEU 32 1.535 -5.143 -7.185 222 HB3 LEU 32 2HB LEU 32 0.399 -6.476 -7.083 223 HG LEU 32 HG LEU 32 -1.220 -5.104 -8.476 224 HD11 LEU 32 1HD1 LEU 32 1.157 -3.246 -8.828 225 HD12 LEU 32 2HD1 LEU 32 -0.364 -2.865 -8.018 226 HD13 LEU 32 3HD1 LEU 32 -0.349 -3.181 -9.750 227 HD21 LEU 32 3HD2 LEU 32 0.142 -6.874 -9.508 228 HD22 LEU 32 1HD2 LEU 32 1.460 -5.728 -9.780 229 HD23 LEU 32 2HD2 LEU 32 -0.080 -5.529 -10.621 230 H THR 33 H THR 33 -0.871 -6.869 -4.678 231 HA THR 33 HA THR 33 -3.614 -7.012 -5.454 232 HB THR 33 HB THR 33 -2.147 -8.536 -3.255 233 HG1 THR 33 HG1 THR 33 -1.292 -9.533 -4.900 234 HG21 THR 33 3HG2 THR 33 -4.609 -8.664 -2.942 235 HG22 THR 33 1HG2 THR 33 -3.962 -10.221 -3.467 236 HG23 THR 33 2HG2 THR 33 -4.798 -9.179 -4.619 237 H VAL 34 H VAL 34 -1.914 -5.920 -2.522 238 HA VAL 34 HA VAL 34 -4.085 -5.223 -0.896 239 HB VAL 34 HB VAL 34 -1.284 -4.052 -1.170 240 HG11 VAL 34 1HG1 VAL 34 -3.336 -3.173 0.882 241 HG12 VAL 34 2HG1 VAL 34 -2.641 -2.180 -0.394 242 HG13 VAL 34 3HG1 VAL 34 -1.619 -2.760 0.920 243 HG21 VAL 34 3HG2 VAL 34 -1.468 -6.305 -0.198 244 HG22 VAL 34 1HG2 VAL 34 -2.576 -5.699 1.035 245 HG23 VAL 34 2HG2 VAL 34 -0.895 -5.152 1.007 246 H LEU 35 H LEU 35 -2.435 -3.339 -3.410 247 HA LEU 35 HA LEU 35 -4.110 -1.036 -3.332 248 HB2 LEU 35 1HB LEU 35 -2.325 -2.129 -5.541 249 HB3 LEU 35 2HB LEU 35 -3.074 -0.540 -5.566 250 HG LEU 35 HG LEU 35 -1.122 -1.412 -3.403 251 HD11 LEU 35 1HD1 LEU 35 0.037 -1.453 -5.550 252 HD12 LEU 35 2HD1 LEU 35 0.601 -0.108 -4.563 253 HD13 LEU 35 3HD1 LEU 35 -0.511 0.188 -5.903 254 HD21 LEU 35 3HD2 LEU 35 -2.170 1.342 -4.159 255 HD22 LEU 35 1HD2 LEU 35 -0.962 0.999 -2.918 256 HD23 LEU 35 2HD2 LEU 35 -2.609 0.415 -2.722 257 H SER 36 H SER 36 -4.233 -4.074 -5.140 258 HA SER 36 HA SER 36 -6.203 -3.314 -7.051 259 HB2 SER 36 1HB SER 36 -4.650 -5.216 -7.382 260 HB3 SER 36 2HB SER 36 -5.428 -6.094 -6.072 261 HG SER 36 HG SER 36 -7.138 -5.221 -8.071 262 H VAL 37 H VAL 37 -6.399 -4.586 -3.796 263 HA VAL 37 HA VAL 37 -9.270 -5.064 -3.878 264 HB VAL 37 HB VAL 37 -7.298 -5.160 -1.537 265 HG11 VAL 37 1HG1 VAL 37 -10.210 -6.057 -1.631 266 HG12 VAL 37 2HG1 VAL 37 -9.560 -4.701 -0.710 267 HG13 VAL 37 3HG1 VAL 37 -9.093 -6.347 -0.289 268 HG21 VAL 37 3HG2 VAL 37 -6.871 -6.911 -3.230 269 HG22 VAL 37 1HG2 VAL 37 -8.553 -7.439 -3.141 270 HG23 VAL 37 2HG2 VAL 37 -7.489 -7.625 -1.743 271 H ALA 38 H ALA 38 -7.016 -2.670 -2.484 272 HA ALA 38 HA ALA 38 -8.907 -1.134 -1.021 273 HB1 ALA 38 3HB ALA 38 -6.192 -0.280 -2.094 274 HB2 ALA 38 1HB ALA 38 -6.488 -1.049 -0.531 275 HB3 ALA 38 2HB ALA 38 -7.121 0.566 -0.853 276 H SER 39 H SER 39 -7.529 -0.747 -4.270 277 HA SER 39 HA SER 39 -9.083 1.598 -4.948 278 HB2 SER 39 1HB SER 39 -7.438 -0.176 -6.814 279 HB3 SER 39 2HB SER 39 -7.955 1.491 -7.102 280 HG SER 39 HG SER 39 -6.494 1.151 -4.800 281 H GLY 40 H GLY 40 -9.276 -1.888 -5.362 282 HA2 GLY 40 1HA GLY 40 -11.152 -3.173 -5.830 283 HA3 GLY 40 2HA GLY 40 -12.021 -1.736 -6.344 284 H VAL 41 H VAL 41 -9.296 -1.368 -8.007 285 HA VAL 41 HA VAL 41 -10.379 -2.538 -10.441 286 HB VAL 41 HB VAL 41 -8.791 -1.087 -11.626 287 HG11 VAL 41 1HG1 VAL 41 -10.320 0.438 -9.491 288 HG12 VAL 41 2HG1 VAL 41 -10.970 -0.147 -11.024 289 HG13 VAL 41 3HG1 VAL 41 -9.732 1.108 -11.018 290 HG21 VAL 41 3HG2 VAL 41 -7.806 -0.178 -8.897 291 HG22 VAL 41 1HG2 VAL 41 -7.356 0.548 -10.443 292 HG23 VAL 41 2HG2 VAL 41 -6.886 -1.111 -10.078 293 HA PRO 42 HA PRO 42 -7.589 -6.058 -10.658 294 HB2 PRO 42 1HB PRO 42 -7.351 -5.324 -13.582 295 HB3 PRO 42 2HB PRO 42 -7.719 -6.892 -12.842 296 HG2 PRO 42 1HG PRO 42 -9.692 -5.468 -13.898 297 HG3 PRO 42 2HG PRO 42 -9.939 -6.271 -12.330 298 HD2 PRO 42 1HD PRO 42 -9.362 -3.361 -12.899 299 HD3 PRO 42 2HD PRO 42 -10.504 -4.076 -11.737 300 H LYS 43 H LYS 43 -5.450 -6.778 -11.495 301 HA LYS 43 HA LYS 43 -3.386 -5.170 -10.469 302 HB2 LYS 43 1HB LYS 43 -3.056 -7.547 -12.356 303 HB3 LYS 43 2HB LYS 43 -1.852 -6.929 -11.230 304 HG2 LYS 43 1HG LYS 43 -4.478 -8.246 -10.469 305 HG3 LYS 43 2HG LYS 43 -2.886 -9.009 -10.438 306 HD2 LYS 43 1HD LYS 43 -2.139 -7.483 -8.674 307 HD3 LYS 43 2HD LYS 43 -3.665 -6.593 -8.752 308 HE2 LYS 43 1HE LYS 43 -3.354 -9.499 -7.950 309 HE3 LYS 43 2HE LYS 43 -3.606 -8.151 -6.848 310 HZ1 LYS 43 3HZ LYS 43 -5.502 -9.129 -8.903 311 HZ2 LYS 43 1HZ LYS 43 -5.745 -7.748 -7.959 312 HZ3 LYS 43 2HZ LYS 43 -5.658 -9.268 -7.229 313 H GLU 44 H GLU 44 -4.504 -5.634 -13.780 314 HA GLU 44 HA GLU 44 -2.259 -4.574 -15.160 315 HB2 GLU 44 1HB GLU 44 -3.923 -6.018 -16.251 316 HB3 GLU 44 2HB GLU 44 -5.179 -4.808 -16.006 317 HG2 GLU 44 1HG GLU 44 -4.005 -3.259 -17.527 318 HG3 GLU 44 2HG GLU 44 -2.720 -4.442 -17.763 319 H GLU 45 H GLU 45 -5.033 -3.057 -13.646 320 HA GLU 45 HA GLU 45 -4.687 -0.502 -14.974 321 HB2 GLU 45 1HB GLU 45 -6.522 -1.328 -12.697 322 HB3 GLU 45 2HB GLU 45 -6.547 0.252 -13.480 323 HG2 GLU 45 1HG GLU 45 -7.047 -0.930 -15.662 324 HG3 GLU 45 2HG GLU 45 -7.204 -2.426 -14.741 325 H ILE 46 H ILE 46 -3.021 -1.963 -12.485 326 HA ILE 46 HA ILE 46 -2.158 0.646 -11.365 327 HB ILE 46 HB ILE 46 -2.213 -1.953 -9.755 328 HG12 ILE 46 1HG1 ILE 46 -4.235 0.352 -9.639 329 HG13 ILE 46 2HG1 ILE 46 -4.553 -1.249 -10.295 330 HG21 ILE 46 1HG2 ILE 46 -1.837 -0.460 -7.801 331 HG22 ILE 46 2HG2 ILE 46 -1.793 0.945 -8.871 332 HG23 ILE 46 3HG2 ILE 46 -0.545 -0.297 -8.991 333 HD11 ILE 46 3HD1 ILE 46 -3.943 -0.592 -7.421 334 HD12 ILE 46 1HD1 ILE 46 -4.210 -2.215 -8.066 335 HD13 ILE 46 2HD1 ILE 46 -5.507 -1.023 -8.109 336 H SER 47 H SER 47 0.001 0.990 -11.472 337 HA SER 47 HA SER 47 1.896 -1.273 -11.758 338 HB2 SER 47 1HB SER 47 1.477 -0.297 -14.031 339 HB3 SER 47 2HB SER 47 1.963 1.289 -13.429 340 HG SER 47 HG SER 47 3.525 -0.560 -14.439 341 H ARG 48 H ARG 48 4.168 -0.550 -11.280 342 HA ARG 48 HA ARG 48 4.417 0.997 -8.904 343 HB2 ARG 48 1HB ARG 48 6.590 0.233 -10.913 344 HB3 ARG 48 2HB ARG 48 6.875 0.854 -9.292 345 HG2 ARG 48 1HG ARG 48 5.810 -1.185 -8.353 346 HG3 ARG 48 2HG ARG 48 5.610 -1.808 -9.993 347 HD2 ARG 48 1HD ARG 48 8.243 -1.171 -8.615 348 HD3 ARG 48 2HD ARG 48 7.599 -2.780 -8.956 349 HE ARG 48 HE ARG 48 7.780 -2.179 -11.373 350 HH11 ARG 48 1HH1 ARG 48 9.839 -0.466 -9.086 351 HH12 ARG 48 2HH1 ARG 48 11.105 -0.212 -10.244 352 HH21 ARG 48 1HH2 ARG 48 9.421 -1.774 -12.876 353 HH22 ARG 48 2HH2 ARG 48 10.852 -0.925 -12.392 354 H ASP 49 H ASP 49 5.508 1.651 -12.250 355 HA ASP 49 HA ASP 49 5.919 4.459 -11.846 356 HB2 ASP 49 1HB ASP 49 7.116 3.241 -13.648 357 HB3 ASP 49 2HB ASP 49 5.587 2.892 -14.451 358 H SER 50 H SER 50 4.093 5.212 -10.934 359 HA SER 50 HA SER 50 1.969 6.146 -12.557 360 HB2 SER 50 1HB SER 50 1.106 3.831 -12.262 361 HB3 SER 50 2HB SER 50 1.264 3.977 -10.513 362 HG SER 50 HG SER 50 -0.314 5.826 -11.955 363 H ARG 51 H ARG 51 0.660 7.627 -11.395 364 HA ARG 51 HA ARG 51 1.862 8.715 -8.951 365 HB2 ARG 51 1HB ARG 51 -0.308 9.915 -10.738 366 HB3 ARG 51 2HB ARG 51 0.560 10.743 -9.445 367 HG2 ARG 51 1HG ARG 51 1.786 9.705 -12.024 368 HG3 ARG 51 2HG ARG 51 1.401 11.392 -11.676 369 HD2 ARG 51 1HD ARG 51 3.081 11.480 -9.938 370 HD3 ARG 51 2HD ARG 51 3.354 9.739 -10.038 371 HE ARG 51 HE ARG 51 3.929 10.636 -12.549 372 HH11 ARG 51 1HH1 ARG 51 5.080 11.581 -9.360 373 HH12 ARG 51 2HH1 ARG 51 6.698 11.873 -9.901 374 HH21 ARG 51 1HH2 ARG 51 6.088 11.027 -13.229 375 HH22 ARG 51 2HH2 ARG 51 7.273 11.555 -12.080 376 H MET 52 H MET 52 0.564 9.223 -7.124 377 HA MET 52 HA MET 52 -1.488 7.305 -6.500 378 HB2 MET 52 1HB MET 52 -0.315 9.668 -4.973 379 HB3 MET 52 2HB MET 52 -1.639 8.699 -4.328 380 HG2 MET 52 1HG MET 52 1.116 7.689 -5.049 381 HG3 MET 52 2HG MET 52 0.482 7.948 -3.420 382 HE1 MET 52 3HE MET 52 0.579 4.047 -3.532 383 HE2 MET 52 1HE MET 52 1.020 5.492 -2.625 384 HE3 MET 52 2HE MET 52 1.771 5.169 -4.187 385 H GLU 53 H GLU 53 -3.211 7.606 -7.810 386 HA GLU 53 HA GLU 53 -4.756 10.134 -7.684 387 HB2 GLU 53 1HB GLU 53 -4.900 7.833 -9.688 388 HB3 GLU 53 2HB GLU 53 -5.876 9.299 -9.746 389 HG2 GLU 53 1HG GLU 53 -3.795 10.642 -10.061 390 HG3 GLU 53 2HG GLU 53 -2.853 9.152 -10.068 391 H ASP 54 H ASP 54 -6.868 7.752 -8.716 392 HA ASP 54 HA ASP 54 -8.065 7.393 -6.086 393 HB2 ASP 54 1HB ASP 54 -9.452 7.960 -8.071 394 HB3 ASP 54 2HB ASP 54 -8.957 6.464 -8.858 395 H LEU 55 H LEU 55 -5.775 6.286 -5.811 396 HA LEU 55 HA LEU 55 -6.036 3.364 -6.048 397 HB2 LEU 55 1HB LEU 55 -3.475 4.987 -6.359 398 HB3 LEU 55 2HB LEU 55 -3.553 3.230 -6.332 399 HG LEU 55 HG LEU 55 -4.803 4.993 -8.487 400 HD11 LEU 55 1HD1 LEU 55 -2.986 4.224 -9.964 401 HD12 LEU 55 2HD1 LEU 55 -2.248 3.346 -8.622 402 HD13 LEU 55 3HD1 LEU 55 -2.344 5.108 -8.579 403 HD21 LEU 55 3HD2 LEU 55 -4.508 1.965 -8.349 404 HD22 LEU 55 1HD2 LEU 55 -5.114 2.880 -9.735 405 HD23 LEU 55 2HD2 LEU 55 -6.017 2.878 -8.223 406 H ALA 56 H ALA 56 -4.502 6.082 -4.388 407 HA ALA 56 HA ALA 56 -4.897 5.007 -1.748 408 HB1 ALA 56 3HB ALA 56 -2.040 5.128 -2.791 409 HB2 ALA 56 1HB ALA 56 -2.948 3.657 -2.439 410 HB3 ALA 56 2HB ALA 56 -2.524 4.763 -1.132 411 H PHE 57 H PHE 57 -5.264 7.511 -3.453 412 HA PHE 57 HA PHE 57 -4.036 9.465 -1.573 413 HB2 PHE 57 1HB PHE 57 -3.015 9.519 -3.889 414 HB3 PHE 57 2HB PHE 57 -4.588 9.962 -4.533 415 HD1 PHE 57 HD2 PHE 57 -2.090 11.083 -1.946 416 HD2 PHE 57 HD1 PHE 57 -5.042 12.275 -4.809 417 HE1 PHE 57 HE2 PHE 57 -1.549 13.448 -1.528 418 HE2 PHE 57 HE1 PHE 57 -4.494 14.634 -4.385 419 HZ PHE 57 HZ PHE 57 -2.751 15.224 -2.747 420 H ASP 58 H ASP 58 -5.941 9.029 -0.404 421 HA ASP 58 HA ASP 58 -7.860 11.043 -0.417 422 HB2 ASP 58 1HB ASP 58 -8.961 9.927 -2.305 423 HB3 ASP 58 2HB ASP 58 -8.873 8.363 -1.506 424 H SER 59 H SER 59 -8.782 11.070 1.655 425 HA SER 59 HA SER 59 -7.410 9.798 3.695 426 HB2 SER 59 1HB SER 59 -9.250 10.679 5.194 427 HB3 SER 59 2HB SER 59 -8.581 11.878 4.088 428 HG SER 59 HG SER 59 -11.069 10.569 4.008 429 H LEU 60 H LEU 60 -10.531 8.808 2.266 430 HA LEU 60 HA LEU 60 -11.088 6.687 4.096 431 HB2 LEU 60 1HB LEU 60 -12.823 7.704 2.647 432 HB3 LEU 60 2HB LEU 60 -12.015 7.073 1.221 433 HG LEU 60 HG LEU 60 -12.468 4.729 2.080 434 HD11 LEU 60 1HD1 LEU 60 -14.167 4.403 3.825 435 HD12 LEU 60 2HD1 LEU 60 -14.204 6.141 4.132 436 HD13 LEU 60 3HD1 LEU 60 -12.737 5.214 4.460 437 HD21 LEU 60 3HD2 LEU 60 -13.881 5.736 0.349 438 HD22 LEU 60 1HD2 LEU 60 -14.917 6.454 1.587 439 HD23 LEU 60 2HD2 LEU 60 -14.829 4.699 1.411 440 H VAL 61 H VAL 61 -9.572 6.785 0.871 441 HA VAL 61 HA VAL 61 -9.165 3.967 0.610 442 HB VAL 61 HB VAL 61 -7.623 6.139 -0.900 443 HG11 VAL 61 1HG1 VAL 61 -7.447 4.433 -2.690 444 HG12 VAL 61 2HG1 VAL 61 -8.314 3.272 -1.680 445 HG13 VAL 61 3HG1 VAL 61 -6.725 3.858 -1.187 446 HG21 VAL 61 3HG2 VAL 61 -10.033 6.606 -1.101 447 HG22 VAL 61 1HG2 VAL 61 -10.334 4.944 -1.617 448 HG23 VAL 61 2HG2 VAL 61 -9.389 6.029 -2.638 449 H VAL 62 H VAL 62 -7.287 6.537 2.069 450 HA VAL 62 HA VAL 62 -4.796 5.104 2.313 451 HB VAL 62 HB VAL 62 -5.803 7.643 3.709 452 HG11 VAL 62 1HG1 VAL 62 -3.470 8.026 4.477 453 HG12 VAL 62 2HG1 VAL 62 -3.006 6.438 3.852 454 HG13 VAL 62 3HG1 VAL 62 -4.162 6.563 5.177 455 HG21 VAL 62 3HG2 VAL 62 -3.760 7.291 1.467 456 HG22 VAL 62 1HG2 VAL 62 -4.207 8.826 2.220 457 HG23 VAL 62 2HG2 VAL 62 -5.399 7.919 1.293 458 H SER 63 H SER 63 -7.633 5.684 4.384 459 HA SER 63 HA SER 63 -6.683 4.316 6.705 460 HB2 SER 63 1HB SER 63 -9.534 4.873 5.777 461 HB3 SER 63 2HB SER 63 -9.086 4.314 7.391 462 HG SER 63 HG SER 63 -8.066 6.698 6.239 463 H GLU 64 H GLU 64 -8.411 3.308 3.788 464 HA GLU 64 HA GLU 64 -8.931 0.610 4.568 465 HB2 GLU 64 1HB GLU 64 -10.172 1.839 2.737 466 HB3 GLU 64 2HB GLU 64 -8.720 1.770 1.748 467 HG2 GLU 64 1HG GLU 64 -10.266 0.038 1.045 468 HG3 GLU 64 2HG GLU 64 -8.831 -0.706 1.750 469 H LEU 65 H LEU 65 -6.370 2.219 2.736 470 HA LEU 65 HA LEU 65 -4.855 0.009 1.894 471 HB2 LEU 65 1HB LEU 65 -4.572 2.285 0.969 472 HB3 LEU 65 2HB LEU 65 -3.974 2.854 2.519 473 HG LEU 65 HG LEU 65 -1.991 1.289 2.250 474 HD11 LEU 65 1HD1 LEU 65 -3.035 0.944 -0.579 475 HD12 LEU 65 2HD1 LEU 65 -2.956 -0.305 0.665 476 HD13 LEU 65 3HD1 LEU 65 -1.470 0.389 0.025 477 HD21 LEU 65 3HD2 LEU 65 -0.789 2.732 0.659 478 HD22 LEU 65 1HD2 LEU 65 -1.785 3.684 1.759 479 HD23 LEU 65 2HD2 LEU 65 -2.321 3.407 0.101 480 H SER 66 H SER 66 -4.514 2.130 4.713 481 HA SER 66 HA SER 66 -2.347 0.943 5.993 482 HB2 SER 66 1HB SER 66 -3.306 3.166 6.634 483 HB3 SER 66 2HB SER 66 -4.726 2.354 7.289 484 HG SER 66 HG SER 66 -3.638 2.110 9.064 485 H LEU 67 H LEU 67 -5.850 0.366 6.331 486 HA LEU 67 HA LEU 67 -5.915 -1.535 8.344 487 HB2 LEU 67 1HB LEU 67 -7.907 -0.410 7.336 488 HB3 LEU 67 2HB LEU 67 -7.716 -1.391 5.892 489 HG LEU 67 HG LEU 67 -8.137 -3.451 7.293 490 HD11 LEU 67 1HD1 LEU 67 -8.814 -1.461 9.484 491 HD12 LEU 67 2HD1 LEU 67 -7.467 -2.601 9.482 492 HD13 LEU 67 3HD1 LEU 67 -9.121 -3.201 9.538 493 HD21 LEU 67 3HD2 LEU 67 -10.364 -1.384 7.318 494 HD22 LEU 67 1HD2 LEU 67 -10.571 -3.130 7.500 495 HD23 LEU 67 2HD2 LEU 67 -9.960 -2.469 5.986 496 H LYS 68 H LYS 68 -5.411 -1.991 4.856 497 HA LYS 68 HA LYS 68 -5.272 -4.826 4.846 498 HB2 LYS 68 1HB LYS 68 -3.844 -2.942 2.919 499 HB3 LYS 68 2HB LYS 68 -4.213 -4.641 2.646 500 HG2 LYS 68 1HG LYS 68 -6.140 -2.312 2.729 501 HG3 LYS 68 2HG LYS 68 -5.714 -3.320 1.344 502 HD2 LYS 68 1HD LYS 68 -6.779 -5.271 2.503 503 HD3 LYS 68 2HD LYS 68 -7.283 -4.185 3.803 504 HE2 LYS 68 1HE LYS 68 -8.544 -2.835 2.119 505 HE3 LYS 68 2HE LYS 68 -8.117 -4.037 0.895 506 HZ1 LYS 68 3HZ LYS 68 -10.299 -4.481 1.756 507 HZ2 LYS 68 1HZ LYS 68 -9.729 -4.504 3.344 508 HZ3 LYS 68 2HZ LYS 68 -9.260 -5.711 2.259 509 H LEU 69 H LEU 69 -2.735 -2.306 4.900 510 HA LEU 69 HA LEU 69 -0.490 -3.965 4.771 511 HB2 LEU 69 1HB LEU 69 -0.760 -1.202 6.006 512 HB3 LEU 69 2HB LEU 69 0.777 -1.991 5.682 513 HG LEU 69 HG LEU 69 -1.256 -1.139 3.583 514 HD11 LEU 69 1HD1 LEU 69 -0.106 0.784 4.580 515 HD12 LEU 69 2HD1 LEU 69 0.385 0.547 2.906 516 HD13 LEU 69 3HD1 LEU 69 1.461 0.053 4.215 517 HD21 LEU 69 3HD2 LEU 69 0.423 -1.765 1.905 518 HD22 LEU 69 1HD2 LEU 69 -0.083 -3.163 2.849 519 HD23 LEU 69 2HD2 LEU 69 1.477 -2.400 3.170 520 H ARG 70 H ARG 70 -2.379 -2.989 7.589 521 HA ARG 70 HA ARG 70 -0.622 -3.666 9.675 522 HB2 ARG 70 1HB ARG 70 -3.656 -3.998 9.748 523 HB3 ARG 70 2HB ARG 70 -2.585 -3.839 11.137 524 HG2 ARG 70 1HG ARG 70 -2.032 -1.501 10.295 525 HG3 ARG 70 2HG ARG 70 -3.323 -1.716 9.117 526 HD2 ARG 70 1HD ARG 70 -3.552 -1.572 12.125 527 HD3 ARG 70 2HD ARG 70 -4.283 -0.510 10.923 528 HE ARG 70 HE ARG 70 -5.278 -3.107 10.524 529 HH11 ARG 70 1HH1 ARG 70 -5.572 -0.449 12.827 530 HH12 ARG 70 2HH1 ARG 70 -7.053 -1.055 13.503 531 HH21 ARG 70 1HH2 ARG 70 -7.195 -3.885 11.468 532 HH22 ARG 70 2HH2 ARG 70 -7.979 -2.973 12.723 533 H LYS 71 H LYS 71 -2.788 -5.631 7.744 534 HA LYS 71 HA LYS 71 -2.340 -8.063 9.322 535 HB2 LYS 71 1HB LYS 71 -4.643 -7.407 8.575 536 HB3 LYS 71 2HB LYS 71 -4.127 -7.568 6.901 537 HG2 LYS 71 1HG LYS 71 -5.381 -9.555 7.548 538 HG3 LYS 71 2HG LYS 71 -3.693 -9.994 7.279 539 HD2 LYS 71 1HD LYS 71 -4.522 -11.132 9.282 540 HD3 LYS 71 2HD LYS 71 -3.297 -9.952 9.750 541 HE2 LYS 71 1HE LYS 71 -5.191 -9.894 11.319 542 HE3 LYS 71 2HE LYS 71 -5.097 -8.371 10.435 543 HZ1 LYS 71 3HZ LYS 71 -6.876 -9.106 9.010 544 HZ2 LYS 71 1HZ LYS 71 -7.363 -9.215 10.623 545 HZ3 LYS 71 2HZ LYS 71 -6.933 -10.611 9.775 546 H GLU 72 H GLU 72 -1.876 -6.871 6.000 547 HA GLU 72 HA GLU 72 -1.030 -9.359 4.916 548 HB2 GLU 72 1HB GLU 72 -0.754 -6.574 3.704 549 HB3 GLU 72 2HB GLU 72 -0.639 -8.100 2.832 550 HG2 GLU 72 1HG GLU 72 -3.113 -6.955 4.160 551 HG3 GLU 72 2HG GLU 72 -2.795 -7.040 2.431 552 H PHE 73 H PHE 73 0.675 -6.438 5.996 553 HA PHE 73 HA PHE 73 3.294 -7.794 5.602 554 HB2 PHE 73 1HB PHE 73 2.610 -4.864 5.098 555 HB3 PHE 73 2HB PHE 73 4.248 -5.511 5.100 556 HD1 PHE 73 HD2 PHE 73 4.929 -7.182 3.331 557 HD2 PHE 73 HD1 PHE 73 1.190 -5.104 3.145 558 HE1 PHE 73 HE2 PHE 73 4.724 -7.748 0.953 559 HE2 PHE 73 HE1 PHE 73 0.996 -5.690 0.763 560 HZ PHE 73 HZ PHE 73 2.765 -7.007 -0.335 561 H GLY 74 H GLY 74 1.189 -6.512 7.880 562 HA2 GLY 74 1HA GLY 74 1.414 -6.163 10.142 563 HA3 GLY 74 2HA GLY 74 3.127 -6.527 10.014 564 H VAL 75 H VAL 75 2.335 -4.148 7.793 565 HA VAL 75 HA VAL 75 3.859 -2.142 9.204 566 HB VAL 75 HB VAL 75 2.511 -2.073 6.447 567 HG11 VAL 75 1HG1 VAL 75 2.912 0.203 7.247 568 HG12 VAL 75 2HG1 VAL 75 4.009 -0.179 5.924 569 HG13 VAL 75 3HG1 VAL 75 4.600 -0.180 7.590 570 HG21 VAL 75 3HG2 VAL 75 4.245 -3.824 6.642 571 HG22 VAL 75 1HG2 VAL 75 5.421 -2.622 7.179 572 HG23 VAL 75 2HG2 VAL 75 4.757 -2.546 5.545 573 H THR 76 H THR 76 2.788 -1.200 10.855 574 HA THR 76 HA THR 76 0.013 -0.185 10.488 575 HB THR 76 HB THR 76 1.210 -1.347 13.059 576 HG1 THR 76 HG1 THR 76 0.764 -2.833 11.209 577 HG21 THR 76 3HG2 THR 76 -1.123 -1.337 13.886 578 HG22 THR 76 1HG2 THR 76 -1.667 -0.598 12.377 579 HG23 THR 76 2HG2 THR 76 -0.606 0.296 13.468 580 H GLY 77 H GLY 77 -0.477 1.801 11.508 581 HA2 GLY 77 1HA GLY 77 -0.200 3.778 12.652 582 HA3 GLY 77 2HA GLY 77 1.295 3.148 13.328 583 H VAL 78 H VAL 78 1.047 3.108 9.913 584 HA VAL 78 HA VAL 78 3.273 5.010 9.699 585 HB VAL 78 HB VAL 78 3.489 4.062 7.360 586 HG11 VAL 78 1HG1 VAL 78 4.451 1.927 8.063 587 HG12 VAL 78 2HG1 VAL 78 3.586 2.016 9.601 588 HG13 VAL 78 3HG1 VAL 78 4.839 3.201 9.216 589 HG21 VAL 78 3HG2 VAL 78 1.144 3.355 7.008 590 HG22 VAL 78 1HG2 VAL 78 1.314 2.115 8.257 591 HG23 VAL 78 2HG2 VAL 78 2.250 2.006 6.763 592 H ASP 79 H ASP 79 0.809 6.227 10.198 593 HA ASP 79 HA ASP 79 -0.746 7.109 8.070 594 HB2 ASP 79 1HB ASP 79 -1.409 7.512 10.366 595 HB3 ASP 79 2HB ASP 79 0.029 8.477 10.673 596 H ASP 80 H ASP 80 2.231 8.547 9.390 597 HA ASP 80 HA ASP 80 2.328 10.863 7.749 598 HB2 ASP 80 1HB ASP 80 4.602 9.425 9.203 599 HB3 ASP 80 2HB ASP 80 4.699 11.051 8.517 600 H GLU 81 H GLU 81 3.664 7.636 7.433 601 HA GLU 81 HA GLU 81 5.289 8.025 5.147 602 HB2 GLU 81 1HB GLU 81 4.026 5.562 6.404 603 HB3 GLU 81 2HB GLU 81 5.015 5.443 4.959 604 HG2 GLU 81 1HG GLU 81 6.240 4.879 7.040 605 HG3 GLU 81 2HG GLU 81 6.977 6.201 6.138 606 H LEU 82 H LEU 82 1.924 7.047 5.552 607 HA LEU 82 HA LEU 82 1.378 6.584 2.763 608 HB2 LEU 82 1HB LEU 82 -0.531 6.960 5.099 609 HB3 LEU 82 2HB LEU 82 -0.969 6.347 3.510 610 HG LEU 82 HG LEU 82 0.865 4.961 5.510 611 HD11 LEU 82 1HD1 LEU 82 -0.938 3.293 5.713 612 HD12 LEU 82 2HD1 LEU 82 -1.959 4.270 4.653 613 HD13 LEU 82 3HD1 LEU 82 -1.458 4.899 6.223 614 HD21 LEU 82 3HD2 LEU 82 1.590 4.467 3.220 615 HD22 LEU 82 1HD2 LEU 82 -0.051 3.978 2.786 616 HD23 LEU 82 2HD2 LEU 82 0.870 3.043 3.965 617 H ASP 83 H ASP 83 1.257 9.278 4.930 618 HA ASP 83 HA ASP 83 -0.249 11.107 3.302 619 HB2 ASP 83 1HB ASP 83 -0.057 11.460 5.714 620 HB3 ASP 83 2HB ASP 83 1.697 11.512 5.620 621 H LEU 84 H LEU 84 3.071 10.054 3.458 622 HA LEU 84 HA LEU 84 4.128 12.189 1.749 623 HB2 LEU 84 1HB LEU 84 5.393 9.845 3.208 624 HB3 LEU 84 2HB LEU 84 6.311 10.870 2.114 625 HG LEU 84 HG LEU 84 4.869 11.927 4.575 626 HD11 LEU 84 1HD1 LEU 84 6.600 10.373 5.304 627 HD12 LEU 84 2HD1 LEU 84 7.049 12.033 5.689 628 HD13 LEU 84 3HD1 LEU 84 7.802 11.214 4.318 629 HD21 LEU 84 3HD2 LEU 84 6.235 13.937 4.248 630 HD22 LEU 84 1HD2 LEU 84 5.247 13.621 2.825 631 HD23 LEU 84 2HD2 LEU 84 6.971 13.234 2.807 632 H LEU 85 H LEU 85 2.306 9.654 0.956 633 HA LEU 85 HA LEU 85 3.899 8.441 -1.138 634 HB2 LEU 85 1HB LEU 85 0.930 8.240 -0.519 635 HB3 LEU 85 2HB LEU 85 1.714 7.357 -1.822 636 HG LEU 85 HG LEU 85 2.253 7.031 1.150 637 HD11 LEU 85 1HD1 LEU 85 0.950 5.144 -0.828 638 HD12 LEU 85 2HD1 LEU 85 0.141 6.021 0.472 639 HD13 LEU 85 3HD1 LEU 85 1.323 4.773 0.857 640 HD21 LEU 85 3HD2 LEU 85 3.584 5.601 -1.181 641 HD22 LEU 85 1HD2 LEU 85 3.773 5.183 0.524 642 HD23 LEU 85 2HD2 LEU 85 4.359 6.733 -0.069 643 H GLU 86 H GLU 86 4.142 9.121 -3.132 644 HA GLU 86 HA GLU 86 2.343 11.151 -4.329 645 HB2 GLU 86 1HB GLU 86 4.550 12.076 -3.470 646 HB3 GLU 86 2HB GLU 86 5.387 11.039 -4.609 647 HG2 GLU 86 1HG GLU 86 3.387 13.146 -5.483 648 HG3 GLU 86 2HG GLU 86 5.089 13.508 -5.229 649 H THR 87 H THR 87 4.854 8.640 -4.933 650 HA THR 87 HA THR 87 3.322 7.757 -7.328 651 HB THR 87 HB THR 87 5.474 6.611 -8.077 652 HG1 THR 87 HG1 THR 87 6.878 8.359 -6.365 653 HG21 THR 87 3HG2 THR 87 6.556 8.656 -8.948 654 HG22 THR 87 1HG2 THR 87 5.614 9.635 -7.824 655 HG23 THR 87 2HG2 THR 87 4.801 8.742 -9.112 656 H VAL 88 H VAL 88 3.164 5.525 -7.712 657 HA VAL 88 HA VAL 88 2.511 3.988 -5.396 658 HB VAL 88 HB VAL 88 2.651 3.096 -8.316 659 HG11 VAL 88 1HG1 VAL 88 1.156 1.837 -5.986 660 HG12 VAL 88 2HG1 VAL 88 2.619 1.209 -6.737 661 HG13 VAL 88 3HG1 VAL 88 1.125 1.284 -7.666 662 HG21 VAL 88 3HG2 VAL 88 0.218 3.536 -8.396 663 HG22 VAL 88 1HG2 VAL 88 1.125 5.008 -8.043 664 HG23 VAL 88 2HG2 VAL 88 0.270 4.167 -6.748 665 H ASP 89 H ASP 89 5.185 3.986 -7.731 666 HA ASP 89 HA ASP 89 6.571 1.687 -6.878 667 HB2 ASP 89 1HB ASP 89 7.138 2.910 -8.952 668 HB3 ASP 89 2HB ASP 89 7.715 4.281 -8.008 669 H GLU 90 H GLU 90 6.616 5.025 -5.718 670 HA GLU 90 HA GLU 90 8.651 4.851 -3.801 671 HB2 GLU 90 1HB GLU 90 7.717 6.986 -4.521 672 HB3 GLU 90 2HB GLU 90 6.140 6.564 -3.870 673 HG2 GLU 90 1HG GLU 90 6.965 6.706 -1.591 674 HG3 GLU 90 2HG GLU 90 8.622 6.931 -2.166 675 H LEU 91 H LEU 91 5.152 4.083 -3.557 676 HA LEU 91 HA LEU 91 5.112 3.366 -0.816 677 HB2 LEU 91 1HB LEU 91 3.047 3.721 -2.076 678 HB3 LEU 91 2HB LEU 91 3.390 2.333 -3.096 679 HG LEU 91 HG LEU 91 3.068 0.799 -1.181 680 HD11 LEU 91 1HD1 LEU 91 3.835 2.181 0.677 681 HD12 LEU 91 2HD1 LEU 91 2.209 1.590 1.000 682 HD13 LEU 91 3HD1 LEU 91 2.452 3.262 0.489 683 HD21 LEU 91 3HD2 LEU 91 1.116 1.367 -2.553 684 HD22 LEU 91 1HD2 LEU 91 0.739 2.723 -1.484 685 HD23 LEU 91 2HD2 LEU 91 0.651 1.065 -0.882 686 H PHE 92 H PHE 92 5.793 1.373 -3.711 687 HA PHE 92 HA PHE 92 6.202 -1.115 -2.445 688 HB2 PHE 92 1HB PHE 92 7.358 0.040 -5.018 689 HB3 PHE 92 2HB PHE 92 7.755 -1.587 -4.483 690 HD1 PHE 92 HD2 PHE 92 5.968 -3.343 -4.360 691 HD2 PHE 92 HD1 PHE 92 5.194 0.498 -6.075 692 HE1 PHE 92 HE2 PHE 92 3.964 -4.219 -5.470 693 HE2 PHE 92 HE1 PHE 92 3.201 -0.408 -7.177 694 HZ PHE 92 HZ PHE 92 2.571 -2.757 -6.874 695 H GLN 93 H GLN 93 8.480 1.533 -3.122 696 HA GLN 93 HA GLN 93 10.830 0.321 -2.064 697 HB2 GLN 93 1HB GLN 93 10.165 3.262 -2.507 698 HB3 GLN 93 2HB GLN 93 11.773 2.646 -2.129 699 HG2 GLN 93 1HG GLN 93 11.775 1.382 -4.257 700 HG3 GLN 93 2HG GLN 93 10.183 2.036 -4.639 701 HE21 GLN 93 2HE2 GLN 93 13.580 2.816 -4.226 702 HE22 GLN 93 1HE2 GLN 93 13.538 4.328 -5.060 703 H LEU 94 H LEU 94 8.228 2.195 -0.664 704 HA LEU 94 HA LEU 94 9.559 3.090 1.686 705 HB2 LEU 94 1HB LEU 94 7.577 4.192 0.637 706 HB3 LEU 94 2HB LEU 94 6.566 2.861 1.158 707 HG LEU 94 HG LEU 94 8.091 4.524 3.201 708 HD11 LEU 94 1HD1 LEU 94 6.167 6.018 3.442 709 HD12 LEU 94 2HD1 LEU 94 5.368 5.236 2.075 710 HD13 LEU 94 3HD1 LEU 94 6.867 6.134 1.829 711 HD21 LEU 94 3HD2 LEU 94 6.258 3.889 4.726 712 HD22 LEU 94 1HD2 LEU 94 7.039 2.463 4.050 713 HD23 LEU 94 2HD2 LEU 94 5.472 2.984 3.430 714 H VAL 95 H VAL 95 7.071 0.591 1.131 715 HA VAL 95 HA VAL 95 7.118 -0.502 3.743 716 HB VAL 95 HB VAL 95 6.186 -1.828 1.145 717 HG11 VAL 95 1HG1 VAL 95 4.769 -3.272 2.580 718 HG12 VAL 95 2HG1 VAL 95 5.483 -2.540 4.020 719 HG13 VAL 95 3HG1 VAL 95 6.485 -3.493 2.927 720 HG21 VAL 95 3HG2 VAL 95 3.911 -1.049 1.770 721 HG22 VAL 95 1HG2 VAL 95 5.018 0.304 1.526 722 HG23 VAL 95 2HG2 VAL 95 4.583 -0.196 3.162 723 H GLU 96 H GLU 96 9.008 -1.117 0.843 724 HA GLU 96 HA GLU 96 10.409 -3.460 1.555 725 HB2 GLU 96 1HB GLU 96 10.429 -2.434 -0.707 726 HB3 GLU 96 2HB GLU 96 11.324 -1.053 -0.084 727 HG2 GLU 96 1HG GLU 96 13.203 -2.664 0.496 728 HG3 GLU 96 2HG GLU 96 12.313 -3.912 -0.374 729 H LYS 97 H LYS 97 11.302 -0.025 1.987 730 HA LYS 97 HA LYS 97 13.696 -0.494 3.460 731 HB2 LYS 97 1HB LYS 97 13.218 1.546 2.083 732 HB3 LYS 97 2HB LYS 97 12.036 2.055 3.283 733 HG2 LYS 97 1HG LYS 97 13.839 2.227 4.978 734 HG3 LYS 97 2HG LYS 97 15.020 1.711 3.770 735 HD2 LYS 97 1HD LYS 97 14.440 3.742 2.403 736 HD3 LYS 97 2HD LYS 97 13.361 4.269 3.700 737 HE2 LYS 97 1HE LYS 97 15.511 5.436 3.844 738 HE3 LYS 97 2HE LYS 97 15.299 4.385 5.245 739 HZ1 LYS 97 3HZ LYS 97 17.542 4.260 4.283 740 HZ2 LYS 97 1HZ LYS 97 16.889 3.691 2.830 741 HZ3 LYS 97 2HZ LYS 97 16.752 2.768 4.240 742 H HIS 98 H HIS 98 10.365 -0.184 4.335 743 HA HIS 98 HA HIS 98 10.742 0.487 7.113 744 HB2 HIS 98 1HB HIS 98 8.711 1.086 5.583 745 HB3 HIS 98 2HB HIS 98 8.160 -0.559 5.878 746 HD1 HIS 98 HD1 HIS 98 7.814 -1.122 8.551 747 HD2 HIS 98 HD2 HIS 98 7.994 2.889 7.500 748 HE1 HIS 98 HE1 HIS 98 6.842 0.125 10.487 749 HE2 HIS 98 HE2 HIS 98 7.127 2.555 9.909 750 H ARG 99 H ARG 99 10.216 -2.401 5.187 751 HA ARG 99 HA ARG 99 9.811 -4.245 7.362 752 HB2 ARG 99 1HB ARG 99 9.010 -4.711 5.023 753 HB3 ARG 99 2HB ARG 99 10.680 -4.805 4.475 754 HG2 ARG 99 1HG ARG 99 11.034 -6.752 5.992 755 HG3 ARG 99 2HG ARG 99 9.333 -6.682 6.452 756 HD2 ARG 99 1HD ARG 99 9.577 -8.416 4.795 757 HD3 ARG 99 2HD ARG 99 8.747 -7.065 4.022 758 HE ARG 99 HE ARG 99 10.887 -6.466 2.968 759 HH11 ARG 99 1HH1 ARG 99 10.647 -9.744 4.222 760 HH12 ARG 99 2HH1 ARG 99 11.863 -10.369 3.157 761 HH21 ARG 99 1HH2 ARG 99 12.485 -7.314 1.572 762 HH22 ARG 99 2HH2 ARG 99 12.898 -8.999 1.643 763 H ALA 100 H ALA 100 12.529 -3.226 5.336 764 HA ALA 100 HA ALA 100 14.569 -4.874 6.381 765 HB1 ALA 100 3HB ALA 100 14.773 -3.661 4.248 766 HB2 ALA 100 1HB ALA 100 16.110 -3.265 5.328 767 HB3 ALA 100 2HB ALA 100 14.784 -2.119 5.107 768 H ALA 101 H ALA 101 13.438 -1.652 7.228 769 HA ALA 101 HA ALA 101 13.566 -0.292 9.006 770 HB1 ALA 101 3HB ALA 101 14.297 -2.804 10.552 771 HB2 ALA 101 1HB ALA 101 12.658 -2.230 10.233 772 HB3 ALA 101 2HB ALA 101 13.742 -1.284 11.256 773 H GLY 102 H GLY 102 15.209 0.078 11.140 774 HA2 GLY 102 1HA GLY 102 17.945 0.315 10.005 775 HA3 GLY 102 2HA GLY 102 17.248 1.367 11.230 776 H SER 103 H SER 103 16.457 -1.899 11.728 777 HA SER 103 HA SER 103 18.200 -2.092 14.069 778 HB2 SER 103 1HB SER 103 15.969 -3.972 13.147 779 HB3 SER 103 2HB SER 103 16.761 -3.970 14.723 780 HG SER 103 HG SER 103 15.818 -1.522 14.166 Start of MODEL 2 1 H1 MET 1 1H MET 1 -25.432 -18.285 -50.079 2 H2 MET 1 2H MET 1 -25.059 -17.986 -51.695 3 H3 MET 1 3H MET 1 -26.669 -18.186 -51.223 4 HA MET 1 HA MET 1 -26.159 -15.881 -51.624 5 HB2 MET 1 1HB MET 1 -26.680 -16.630 -48.710 6 HB3 MET 1 2HB MET 1 -26.865 -14.992 -49.330 7 HG2 MET 1 1HG MET 1 -29.028 -16.085 -49.200 8 HG3 MET 1 2HG MET 1 -28.609 -15.791 -50.890 9 HE1 MET 1 3HE MET 1 -30.583 -19.152 -51.215 10 HE2 MET 1 1HE MET 1 -30.389 -17.512 -51.833 11 HE3 MET 1 2HE MET 1 -30.968 -17.773 -50.185 12 H GLY 2 H GLY 2 -24.776 -14.153 -51.431 13 HA2 GLY 2 1HA GLY 2 -22.115 -14.598 -50.321 14 HA3 GLY 2 2HA GLY 2 -22.648 -13.244 -51.296 15 H SER 3 H SER 3 -24.834 -13.765 -48.794 16 HA SER 3 HA SER 3 -24.274 -11.393 -47.371 17 HB2 SER 3 1HB SER 3 -25.953 -13.782 -46.505 18 HB3 SER 3 2HB SER 3 -26.063 -12.136 -45.848 19 HG SER 3 HG SER 3 -26.412 -11.692 -48.292 20 H SER 4 H SER 4 -22.174 -11.406 -46.642 21 HA SER 4 HA SER 4 -21.545 -12.846 -44.228 22 HB2 SER 4 1HB SER 4 -20.909 -14.527 -45.963 23 HB3 SER 4 2HB SER 4 -19.855 -13.339 -46.730 24 HG SER 4 HG SER 4 -18.547 -13.372 -44.938 25 H HIS 5 H HIS 5 -21.351 -10.825 -43.301 26 HA HIS 5 HA HIS 5 -19.519 -8.793 -44.242 27 HB2 HIS 5 1HB HIS 5 -20.855 -9.158 -41.510 28 HB3 HIS 5 2HB HIS 5 -19.949 -7.731 -42.007 29 HD1 HIS 5 HD1 HIS 5 -21.752 -5.994 -42.047 30 HD2 HIS 5 HD2 HIS 5 -22.894 -9.424 -44.092 31 HE1 HIS 5 HE1 HIS 5 -23.983 -5.470 -43.053 32 HE2 HIS 5 HE2 HIS 5 -24.521 -7.464 -44.482 33 H ASP 6 H ASP 6 -17.647 -8.078 -42.776 34 HA ASP 6 HA ASP 6 -15.987 -10.299 -41.980 35 HB2 ASP 6 1HB ASP 6 -14.274 -8.665 -41.447 36 HB3 ASP 6 2HB ASP 6 -15.028 -8.197 -42.964 37 H HIS 7 H HIS 7 -15.157 -10.621 -39.856 38 HA HIS 7 HA HIS 7 -16.553 -9.453 -37.569 39 HB2 HIS 7 1HB HIS 7 -16.987 -11.735 -36.578 40 HB3 HIS 7 2HB HIS 7 -17.957 -11.393 -37.998 41 HD1 HIS 7 HD1 HIS 7 -15.444 -13.780 -36.681 42 HD2 HIS 7 HD2 HIS 7 -17.244 -12.913 -40.328 43 HE1 HIS 7 HE1 HIS 7 -14.964 -15.747 -38.160 44 HE2 HIS 7 HE2 HIS 7 -15.951 -15.144 -40.386 45 H HIS 8 H HIS 8 -15.418 -9.782 -35.605 46 HA HIS 8 HA HIS 8 -12.538 -10.452 -35.896 47 HB2 HIS 8 1HB HIS 8 -13.722 -8.122 -34.304 48 HB3 HIS 8 2HB HIS 8 -12.014 -8.543 -34.396 49 HD1 HIS 8 HD1 HIS 8 -14.195 -6.134 -35.700 50 HD2 HIS 8 HD2 HIS 8 -11.291 -8.545 -37.435 51 HE1 HIS 8 HE1 HIS 8 -13.588 -5.017 -37.860 52 HE2 HIS 8 HE2 HIS 8 -11.959 -6.580 -38.961 53 H HIS 9 H HIS 9 -11.510 -10.791 -33.709 54 HA HIS 9 HA HIS 9 -13.320 -12.128 -31.773 55 HB2 HIS 9 1HB HIS 9 -10.587 -13.075 -32.756 56 HB3 HIS 9 2HB HIS 9 -11.411 -13.762 -31.362 57 HD1 HIS 9 HD1 HIS 9 -10.614 -15.098 -34.227 58 HD2 HIS 9 HD2 HIS 9 -14.399 -14.118 -32.818 59 HE1 HIS 9 HE1 HIS 9 -12.200 -16.625 -35.426 60 HE2 HIS 9 HE2 HIS 9 -14.455 -16.114 -34.451 61 H HIS 10 H HIS 10 -12.434 -12.285 -29.615 62 HA HIS 10 HA HIS 10 -10.173 -10.666 -28.807 63 HB2 HIS 10 1HB HIS 10 -11.435 -9.227 -27.240 64 HB3 HIS 10 2HB HIS 10 -11.967 -8.949 -28.892 65 HD1 HIS 10 HD1 HIS 10 -13.303 -9.317 -25.620 66 HD2 HIS 10 HD2 HIS 10 -14.524 -10.580 -29.386 67 HE1 HIS 10 HE1 HIS 10 -15.757 -9.764 -25.422 68 HE2 HIS 10 HE2 HIS 10 -16.461 -10.603 -27.689 69 H SER 11 H SER 11 -9.217 -11.605 -27.112 70 HA SER 11 HA SER 11 -10.613 -13.722 -25.585 71 HB2 SER 11 1HB SER 11 -8.306 -14.675 -25.229 72 HB3 SER 11 2HB SER 11 -8.779 -14.623 -26.930 73 HG SER 11 HG SER 11 -7.486 -12.820 -27.218 74 H SER 12 H SER 12 -10.391 -13.758 -23.363 75 HA SER 12 HA SER 12 -10.074 -11.237 -22.040 76 HB2 SER 12 1HB SER 12 -10.679 -12.595 -19.988 77 HB3 SER 12 2HB SER 12 -11.828 -12.762 -21.319 78 HG SER 12 HG SER 12 -11.025 -14.746 -20.179 79 H GLY 13 H GLY 13 -7.993 -13.939 -22.651 80 HA2 GLY 13 1HA GLY 13 -5.796 -14.382 -22.159 81 HA3 GLY 13 2HA GLY 13 -5.664 -12.753 -21.501 82 H ARG 14 H ARG 14 -4.459 -13.414 -19.672 83 HA ARG 14 HA ARG 14 -6.106 -14.063 -17.415 84 HB2 ARG 14 1HB ARG 14 -4.793 -15.996 -16.584 85 HB3 ARG 14 2HB ARG 14 -5.612 -16.372 -18.094 86 HG2 ARG 14 1HG ARG 14 -3.472 -16.052 -19.319 87 HG3 ARG 14 2HG ARG 14 -2.662 -15.715 -17.787 88 HD2 ARG 14 1HD ARG 14 -3.223 -17.993 -16.991 89 HD3 ARG 14 2HD ARG 14 -4.019 -18.332 -18.536 90 HE ARG 14 HE ARG 14 -1.208 -17.517 -18.599 91 HH11 ARG 14 1HH1 ARG 14 -3.483 -20.193 -18.848 92 HH12 ARG 14 2HH1 ARG 14 -2.335 -21.243 -19.610 93 HH21 ARG 14 1HH2 ARG 14 0.264 -18.908 -19.601 94 HH22 ARG 14 2HH2 ARG 14 -0.220 -20.513 -20.042 95 H GLU 15 H GLU 15 -5.397 -12.934 -15.711 96 HA GLU 15 HA GLU 15 -2.786 -11.641 -15.672 97 HB2 GLU 15 1HB GLU 15 -3.525 -10.664 -13.534 98 HB3 GLU 15 2HB GLU 15 -4.737 -10.429 -14.786 99 HG2 GLU 15 1HG GLU 15 -6.197 -12.051 -13.844 100 HG3 GLU 15 2HG GLU 15 -4.936 -12.724 -12.815 101 H ASN 16 H ASN 16 -4.277 -14.518 -14.416 102 HA ASN 16 HA ASN 16 -2.431 -15.088 -12.297 103 HB2 ASN 16 1HB ASN 16 -4.768 -16.041 -12.457 104 HB3 ASN 16 2HB ASN 16 -4.242 -17.041 -13.800 105 HD21 ASN 16 2HD2 ASN 16 -5.289 -17.740 -11.128 106 HD22 ASN 16 1HD2 ASN 16 -4.129 -18.808 -10.431 107 H LEU 17 H LEU 17 -0.373 -15.267 -12.797 108 HA LEU 17 HA LEU 17 0.577 -17.033 -14.970 109 HB2 LEU 17 1HB LEU 17 1.515 -14.184 -14.385 110 HB3 LEU 17 2HB LEU 17 2.348 -15.288 -15.467 111 HG LEU 17 HG LEU 17 -0.478 -14.238 -15.909 112 HD11 LEU 17 1HD1 LEU 17 0.482 -12.880 -17.724 113 HD12 LEU 17 2HD1 LEU 17 2.103 -13.406 -17.266 114 HD13 LEU 17 3HD1 LEU 17 1.142 -12.429 -16.152 115 HD21 LEU 17 3HD2 LEU 17 -0.279 -15.223 -18.165 116 HD22 LEU 17 1HD2 LEU 17 -0.180 -16.455 -16.909 117 HD23 LEU 17 2HD2 LEU 17 1.286 -15.916 -17.733 118 H TYR 18 H TYR 18 3.139 -17.071 -14.705 119 HA TYR 18 HA TYR 18 4.971 -17.743 -13.621 120 HB2 TYR 18 1HB TYR 18 3.786 -16.225 -11.243 121 HB3 TYR 18 2HB TYR 18 5.394 -16.948 -11.236 122 HD1 TYR 18 HD1 TYR 18 3.301 -14.368 -12.987 123 HD2 TYR 18 HD2 TYR 18 7.253 -15.761 -12.183 124 HE1 TYR 18 HE1 TYR 18 4.226 -12.337 -14.008 125 HE2 TYR 18 HE2 TYR 18 8.176 -13.733 -13.203 126 HH TYR 18 HH TYR 18 6.302 -11.006 -13.900 127 H PHE 19 H PHE 19 4.413 -19.907 -13.908 128 HA PHE 19 HA PHE 19 3.591 -21.385 -11.467 129 HB2 PHE 19 1HB PHE 19 3.098 -23.294 -13.006 130 HB3 PHE 19 2HB PHE 19 2.103 -21.882 -13.309 131 HD1 PHE 19 HD2 PHE 19 4.954 -23.895 -14.637 132 HD2 PHE 19 HD1 PHE 19 2.115 -20.802 -15.480 133 HE1 PHE 19 HE2 PHE 19 5.523 -24.006 -17.024 134 HE2 PHE 19 HE1 PHE 19 2.690 -20.932 -17.870 135 HZ PHE 19 HZ PHE 19 4.398 -22.531 -18.646 136 H GLN 20 H GLN 20 6.290 -20.248 -12.603 137 HA GLN 20 HA GLN 20 8.024 -22.498 -12.945 138 HB2 GLN 20 1HB GLN 20 8.477 -20.191 -13.833 139 HB3 GLN 20 2HB GLN 20 8.718 -19.627 -12.187 140 HG2 GLN 20 1HG GLN 20 10.878 -19.941 -13.121 141 HG3 GLN 20 2HG GLN 20 10.635 -21.271 -11.994 142 HE21 GLN 20 2HE2 GLN 20 12.452 -21.021 -14.282 143 HE22 GLN 20 1HE2 GLN 20 12.103 -22.350 -15.330 144 H GLY 21 H GLY 21 8.522 -23.899 -11.350 145 HA2 GLY 21 1HA GLY 21 8.910 -24.816 -9.277 146 HA3 GLY 21 2HA GLY 21 9.261 -23.195 -8.679 147 H HIS 22 H HIS 22 7.648 -22.000 -7.697 148 HA HIS 22 HA HIS 22 4.855 -22.963 -7.770 149 HB2 HIS 22 1HB HIS 22 6.166 -21.935 -5.197 150 HB3 HIS 22 2HB HIS 22 4.522 -22.534 -5.372 151 HD1 HIS 22 HD1 HIS 22 7.892 -23.593 -4.478 152 HD2 HIS 22 HD2 HIS 22 4.448 -25.443 -5.885 153 HE1 HIS 22 HE1 HIS 22 8.210 -26.040 -4.034 154 HE2 HIS 22 HE2 HIS 22 6.050 -27.109 -4.742 155 H MET 23 H MET 23 6.151 -20.291 -5.843 156 HA MET 23 HA MET 23 5.996 -18.208 -7.723 157 HB2 MET 23 1HB MET 23 3.521 -18.571 -7.575 158 HB3 MET 23 2HB MET 23 3.586 -18.347 -5.831 159 HG2 MET 23 1HG MET 23 4.339 -16.022 -6.161 160 HG3 MET 23 2HG MET 23 4.275 -16.248 -7.909 161 HE1 MET 23 3HE MET 23 2.743 -13.877 -6.259 162 HE2 MET 23 1HE MET 23 1.232 -13.856 -7.161 163 HE3 MET 23 2HE MET 23 2.765 -14.034 -8.017 164 HA PRO 24 HA PRO 24 8.368 -17.538 -3.799 165 HB2 PRO 24 1HB PRO 24 10.686 -16.670 -4.900 166 HB3 PRO 24 2HB PRO 24 10.236 -18.382 -4.937 167 HG2 PRO 24 1HG PRO 24 9.941 -16.302 -7.102 168 HG3 PRO 24 2HG PRO 24 10.582 -17.955 -7.223 169 HD2 PRO 24 1HD PRO 24 8.005 -17.281 -7.906 170 HD3 PRO 24 2HD PRO 24 8.456 -18.901 -7.322 171 H ASN 25 H ASN 25 8.898 -15.681 -2.664 172 HA ASN 25 HA ASN 25 8.949 -13.554 -1.963 173 HB2 ASN 25 1HB ASN 25 10.732 -13.292 -3.663 174 HB3 ASN 25 2HB ASN 25 9.532 -12.895 -4.884 175 HD21 ASN 25 2HD2 ASN 25 11.117 -11.785 -1.965 176 HD22 ASN 25 1HD2 ASN 25 10.744 -10.111 -2.170 177 H ASP 26 H ASP 26 6.749 -13.502 -1.326 178 HA ASP 26 HA ASP 26 4.734 -12.354 -3.121 179 HB2 ASP 26 1HB ASP 26 4.527 -13.096 -0.156 180 HB3 ASP 26 2HB ASP 26 3.178 -12.602 -1.182 181 H MET 27 H MET 27 5.956 -10.389 -3.490 182 HA MET 27 HA MET 27 5.480 -8.327 -1.413 183 HB2 MET 27 1HB MET 27 8.040 -8.642 -3.047 184 HB3 MET 27 2HB MET 27 7.653 -7.217 -2.092 185 HG2 MET 27 1HG MET 27 8.036 -10.010 -0.990 186 HG3 MET 27 2HG MET 27 9.239 -8.723 -0.952 187 HE1 MET 27 3HE MET 27 7.619 -6.150 1.524 188 HE2 MET 27 1HE MET 27 7.549 -6.133 -0.239 189 HE3 MET 27 2HE MET 27 9.053 -6.559 0.584 190 H GLU 28 H GLU 28 6.475 -8.714 -4.882 191 HA GLU 28 HA GLU 28 5.582 -6.072 -5.535 192 HB2 GLU 28 1HB GLU 28 7.508 -7.050 -6.692 193 HB3 GLU 28 2HB GLU 28 6.483 -8.300 -7.389 194 HG2 GLU 28 1HG GLU 28 5.223 -6.566 -8.637 195 HG3 GLU 28 2HG GLU 28 6.258 -5.317 -7.945 196 H ASP 29 H ASP 29 4.524 -9.185 -6.938 197 HA ASP 29 HA ASP 29 2.108 -8.292 -8.077 198 HB2 ASP 29 1HB ASP 29 2.731 -11.121 -7.082 199 HB3 ASP 29 2HB ASP 29 1.504 -10.691 -8.269 200 H HIS 30 H HIS 30 2.932 -9.470 -4.914 201 HA HIS 30 HA HIS 30 0.387 -9.901 -3.796 202 HB2 HIS 30 1HB HIS 30 2.672 -10.641 -2.910 203 HB3 HIS 30 2HB HIS 30 2.890 -9.007 -2.302 204 HD1 HIS 30 HD1 HIS 30 3.097 -10.101 0.076 205 HD2 HIS 30 HD2 HIS 30 -0.627 -10.583 -1.703 206 HE1 HIS 30 HE1 HIS 30 1.592 -10.961 1.883 207 HE2 HIS 30 HE2 HIS 30 -0.677 -11.145 0.819 208 H LEU 31 H LEU 31 2.467 -6.996 -3.893 209 HA LEU 31 HA LEU 31 0.737 -5.398 -2.253 210 HB2 LEU 31 1HB LEU 31 3.202 -5.008 -2.408 211 HB3 LEU 31 2HB LEU 31 2.990 -4.469 -4.066 212 HG LEU 31 HG LEU 31 1.612 -2.550 -3.278 213 HD11 LEU 31 1HD1 LEU 31 0.632 -3.504 -1.254 214 HD12 LEU 31 2HD1 LEU 31 1.457 -1.995 -0.882 215 HD13 LEU 31 3HD1 LEU 31 2.213 -3.534 -0.466 216 HD21 LEU 31 3HD2 LEU 31 3.412 -1.239 -2.234 217 HD22 LEU 31 1HD2 LEU 31 4.028 -2.219 -3.559 218 HD23 LEU 31 2HD2 LEU 31 4.310 -2.716 -1.890 219 H LEU 32 H LEU 32 1.169 -5.832 -5.750 220 HA LEU 32 HA LEU 32 -0.629 -3.803 -6.592 221 HB2 LEU 32 1HB LEU 32 0.521 -6.256 -7.894 222 HB3 LEU 32 2HB LEU 32 -0.894 -5.541 -8.645 223 HG LEU 32 HG LEU 32 0.302 -3.394 -8.928 224 HD11 LEU 32 1HD1 LEU 32 2.734 -4.781 -7.763 225 HD12 LEU 32 2HD1 LEU 32 1.821 -3.471 -7.014 226 HD13 LEU 32 3HD1 LEU 32 2.710 -3.176 -8.504 227 HD21 LEU 32 3HD2 LEU 32 1.856 -5.745 -10.074 228 HD22 LEU 32 1HD2 LEU 32 1.859 -4.092 -10.699 229 HD23 LEU 32 2HD2 LEU 32 0.381 -5.049 -10.752 230 H THR 33 H THR 33 -1.172 -7.059 -5.380 231 HA THR 33 HA THR 33 -3.996 -7.148 -5.881 232 HB THR 33 HB THR 33 -2.418 -8.679 -3.753 233 HG1 THR 33 HG1 THR 33 -1.543 -9.432 -5.564 234 HG21 THR 33 3HG2 THR 33 -5.107 -9.308 -5.053 235 HG22 THR 33 1HG2 THR 33 -4.887 -8.736 -3.396 236 HG23 THR 33 2HG2 THR 33 -4.267 -10.316 -3.874 237 H VAL 34 H VAL 34 -1.994 -6.212 -3.079 238 HA VAL 34 HA VAL 34 -3.937 -5.535 -1.193 239 HB VAL 34 HB VAL 34 -1.187 -4.321 -1.726 240 HG11 VAL 34 1HG1 VAL 34 -2.484 -2.663 -0.475 241 HG12 VAL 34 2HG1 VAL 34 -1.211 -3.353 0.535 242 HG13 VAL 34 3HG1 VAL 34 -2.885 -3.873 0.744 243 HG21 VAL 34 3HG2 VAL 34 -0.454 -5.717 0.174 244 HG22 VAL 34 1HG2 VAL 34 -1.155 -6.691 -1.119 245 HG23 VAL 34 2HG2 VAL 34 -2.090 -6.358 0.339 246 H LEU 35 H LEU 35 -2.536 -3.612 -3.796 247 HA LEU 35 HA LEU 35 -3.840 -1.166 -3.241 248 HB2 LEU 35 1HB LEU 35 -2.470 -2.230 -5.726 249 HB3 LEU 35 2HB LEU 35 -3.107 -0.595 -5.617 250 HG LEU 35 HG LEU 35 -0.943 -1.710 -3.785 251 HD11 LEU 35 1HD1 LEU 35 -0.106 -1.553 -6.074 252 HD12 LEU 35 2HD1 LEU 35 0.645 -0.334 -5.046 253 HD13 LEU 35 3HD1 LEU 35 -0.635 0.130 -6.171 254 HD21 LEU 35 3HD2 LEU 35 -0.622 0.625 -3.090 255 HD22 LEU 35 1HD2 LEU 35 -2.255 0.072 -2.727 256 HD23 LEU 35 2HD2 LEU 35 -1.970 1.130 -4.112 257 H SER 36 H SER 36 -4.620 -3.891 -5.445 258 HA SER 36 HA SER 36 -6.710 -2.556 -6.821 259 HB2 SER 36 1HB SER 36 -7.339 -4.826 -7.648 260 HB3 SER 36 2HB SER 36 -5.618 -4.499 -7.819 261 HG SER 36 HG SER 36 -5.194 -6.034 -6.453 262 H VAL 37 H VAL 37 -6.646 -4.515 -3.907 263 HA VAL 37 HA VAL 37 -9.494 -4.663 -3.533 264 HB VAL 37 HB VAL 37 -7.230 -5.154 -1.530 265 HG11 VAL 37 1HG1 VAL 37 -10.153 -6.006 -1.370 266 HG12 VAL 37 2HG1 VAL 37 -9.371 -4.780 -0.370 267 HG13 VAL 37 3HG1 VAL 37 -8.879 -6.467 -0.233 268 HG21 VAL 37 3HG2 VAL 37 -7.073 -6.644 -3.490 269 HG22 VAL 37 1HG2 VAL 37 -8.748 -7.154 -3.261 270 HG23 VAL 37 2HG2 VAL 37 -7.524 -7.553 -2.052 271 H ALA 38 H ALA 38 -6.922 -2.450 -2.445 272 HA ALA 38 HA ALA 38 -8.562 -1.070 -0.484 273 HB1 ALA 38 3HB ALA 38 -5.848 -0.324 -1.625 274 HB2 ALA 38 1HB ALA 38 -6.132 -1.262 -0.157 275 HB3 ALA 38 2HB ALA 38 -6.619 0.435 -0.230 276 H SER 39 H SER 39 -7.610 -0.525 -3.819 277 HA SER 39 HA SER 39 -8.576 2.221 -3.931 278 HB2 SER 39 1HB SER 39 -7.426 0.473 -6.155 279 HB3 SER 39 2HB SER 39 -7.617 2.228 -6.184 280 HG SER 39 HG SER 39 -6.201 1.598 -4.037 281 H GLY 40 H GLY 40 -9.215 -0.874 -5.601 282 HA2 GLY 40 1HA GLY 40 -11.537 -1.587 -5.963 283 HA3 GLY 40 2HA GLY 40 -11.916 0.074 -6.418 284 H VAL 41 H VAL 41 -9.225 0.254 -7.854 285 HA VAL 41 HA VAL 41 -10.076 -0.721 -10.425 286 HB VAL 41 HB VAL 41 -7.893 0.214 -11.251 287 HG11 VAL 41 1HG1 VAL 41 -9.509 2.138 -9.549 288 HG12 VAL 41 2HG1 VAL 41 -9.885 1.637 -11.198 289 HG13 VAL 41 3HG1 VAL 41 -8.435 2.587 -10.880 290 HG21 VAL 41 3HG2 VAL 41 -6.457 1.546 -9.739 291 HG22 VAL 41 1HG2 VAL 41 -6.488 -0.154 -9.267 292 HG23 VAL 41 2HG2 VAL 41 -7.427 1.028 -8.357 293 HA PRO 42 HA PRO 42 -8.261 -4.832 -9.973 294 HB2 PRO 42 1HB PRO 42 -8.094 -5.487 -12.683 295 HB3 PRO 42 2HB PRO 42 -9.559 -5.622 -11.707 296 HG2 PRO 42 1HG PRO 42 -8.724 -3.418 -13.579 297 HG3 PRO 42 2HG PRO 42 -10.320 -4.173 -13.370 298 HD2 PRO 42 1HD PRO 42 -9.750 -1.772 -12.278 299 HD3 PRO 42 2HD PRO 42 -10.792 -2.942 -11.434 300 H LYS 43 H LYS 43 -6.333 -6.050 -10.565 301 HA LYS 43 HA LYS 43 -3.956 -4.613 -10.149 302 HB2 LYS 43 1HB LYS 43 -4.400 -7.476 -11.105 303 HB3 LYS 43 2HB LYS 43 -2.842 -6.853 -10.565 304 HG2 LYS 43 1HG LYS 43 -3.587 -6.628 -8.308 305 HG3 LYS 43 2HG LYS 43 -5.281 -6.792 -8.760 306 HD2 LYS 43 1HD LYS 43 -4.436 -8.830 -7.639 307 HD3 LYS 43 2HD LYS 43 -4.960 -9.159 -9.289 308 HE2 LYS 43 1HE LYS 43 -2.528 -9.015 -9.995 309 HE3 LYS 43 2HE LYS 43 -2.113 -8.919 -8.282 310 HZ1 LYS 43 3HZ LYS 43 -3.209 -11.062 -7.958 311 HZ2 LYS 43 1HZ LYS 43 -1.948 -11.177 -9.080 312 HZ3 LYS 43 2HZ LYS 43 -3.552 -11.154 -9.610 313 H GLU 44 H GLU 44 -5.510 -5.586 -13.098 314 HA GLU 44 HA GLU 44 -3.310 -5.480 -14.899 315 HB2 GLU 44 1HB GLU 44 -5.565 -6.624 -15.242 316 HB3 GLU 44 2HB GLU 44 -6.258 -5.032 -15.534 317 HG2 GLU 44 1HG GLU 44 -4.836 -4.751 -17.522 318 HG3 GLU 44 2HG GLU 44 -4.061 -6.305 -17.216 319 H GLU 45 H GLU 45 -5.327 -3.027 -13.481 320 HA GLU 45 HA GLU 45 -4.605 -0.888 -15.329 321 HB2 GLU 45 1HB GLU 45 -6.020 -0.579 -12.651 322 HB3 GLU 45 2HB GLU 45 -6.038 0.541 -14.010 323 HG2 GLU 45 1HG GLU 45 -7.410 -2.148 -13.806 324 HG3 GLU 45 2HG GLU 45 -8.165 -0.561 -13.893 325 H ILE 46 H ILE 46 -3.305 -2.343 -12.543 326 HA ILE 46 HA ILE 46 -1.937 0.080 -11.559 327 HB ILE 46 HB ILE 46 -2.087 -2.682 -10.252 328 HG12 ILE 46 1HG1 ILE 46 -3.851 -0.232 -9.705 329 HG13 ILE 46 2HG1 ILE 46 -4.369 -1.686 -10.547 330 HG21 ILE 46 1HG2 ILE 46 -1.312 0.029 -9.070 331 HG22 ILE 46 2HG2 ILE 46 -0.208 -1.296 -9.436 332 HG23 ILE 46 3HG2 ILE 46 -1.420 -1.489 -8.171 333 HD11 ILE 46 3HD1 ILE 46 -4.004 -2.985 -8.512 334 HD12 ILE 46 1HD1 ILE 46 -5.163 -1.677 -8.289 335 HD13 ILE 46 2HD1 ILE 46 -3.522 -1.507 -7.671 336 H SER 47 H SER 47 0.183 0.340 -11.840 337 HA SER 47 HA SER 47 1.939 -1.958 -12.517 338 HB2 SER 47 1HB SER 47 1.622 -0.293 -14.414 339 HB3 SER 47 2HB SER 47 2.351 0.946 -13.390 340 HG SER 47 HG SER 47 4.037 0.155 -14.505 341 H ARG 48 H ARG 48 4.284 -1.449 -11.863 342 HA ARG 48 HA ARG 48 4.341 -0.872 -9.039 343 HB2 ARG 48 1HB ARG 48 6.790 -1.359 -9.220 344 HB3 ARG 48 2HB ARG 48 5.771 -2.637 -9.871 345 HG2 ARG 48 1HG ARG 48 6.251 -1.908 -12.159 346 HG3 ARG 48 2HG ARG 48 7.193 -0.543 -11.554 347 HD2 ARG 48 1HD ARG 48 7.892 -3.450 -11.001 348 HD3 ARG 48 2HD ARG 48 8.566 -2.512 -12.340 349 HE ARG 48 HE ARG 48 9.094 -0.957 -10.179 350 HH11 ARG 48 1HH1 ARG 48 9.734 -4.379 -10.733 351 HH12 ARG 48 2HH1 ARG 48 11.265 -4.331 -9.921 352 HH21 ARG 48 1HH2 ARG 48 11.076 -0.940 -9.105 353 HH22 ARG 48 2HH2 ARG 48 12.024 -2.387 -9.003 354 H ASP 49 H ASP 49 4.877 1.027 -11.879 355 HA ASP 49 HA ASP 49 6.250 3.192 -10.388 356 HB2 ASP 49 1HB ASP 49 6.800 4.139 -12.587 357 HB3 ASP 49 2HB ASP 49 7.322 2.461 -12.497 358 H SER 50 H SER 50 3.163 2.313 -10.896 359 HA SER 50 HA SER 50 1.960 4.465 -12.282 360 HB2 SER 50 1HB SER 50 0.914 2.213 -12.044 361 HB3 SER 50 2HB SER 50 0.654 2.520 -10.327 362 HG SER 50 HG SER 50 -0.796 3.327 -12.485 363 H ARG 51 H ARG 51 0.651 6.154 -11.527 364 HA ARG 51 HA ARG 51 1.437 7.496 -9.113 365 HB2 ARG 51 1HB ARG 51 -0.751 8.045 -11.156 366 HB3 ARG 51 2HB ARG 51 -0.373 9.131 -9.827 367 HG2 ARG 51 1HG ARG 51 1.698 8.353 -11.903 368 HG3 ARG 51 2HG ARG 51 0.581 9.697 -12.140 369 HD2 ARG 51 1HD ARG 51 2.552 9.449 -9.840 370 HD3 ARG 51 2HD ARG 51 2.777 10.450 -11.278 371 HE ARG 51 HE ARG 51 0.463 10.873 -9.493 372 HH11 ARG 51 1HH1 ARG 51 3.396 12.189 -10.912 373 HH12 ARG 51 2HH1 ARG 51 3.047 13.804 -10.398 374 HH21 ARG 51 1HH2 ARG 51 0.017 12.973 -8.855 375 HH22 ARG 51 2HH2 ARG 51 1.138 14.250 -9.218 376 H MET 52 H MET 52 -0.134 8.226 -7.473 377 HA MET 52 HA MET 52 -2.005 6.071 -6.645 378 HB2 MET 52 1HB MET 52 -0.391 8.141 -5.094 379 HB3 MET 52 2HB MET 52 -1.694 7.231 -4.346 380 HG2 MET 52 1HG MET 52 0.774 5.997 -5.579 381 HG3 MET 52 2HG MET 52 0.532 6.301 -3.855 382 HE1 MET 52 3HE MET 52 1.351 3.463 -4.595 383 HE2 MET 52 1HE MET 52 0.141 2.458 -3.803 384 HE3 MET 52 2HE MET 52 0.795 3.867 -2.970 385 H GLU 53 H GLU 53 -2.727 8.235 -8.550 386 HA GLU 53 HA GLU 53 -3.888 10.478 -7.274 387 HB2 GLU 53 1HB GLU 53 -4.765 9.412 -9.993 388 HB3 GLU 53 2HB GLU 53 -4.838 11.075 -9.419 389 HG2 GLU 53 1HG GLU 53 -2.332 9.509 -10.072 390 HG3 GLU 53 2HG GLU 53 -3.053 10.775 -11.058 391 H ASP 54 H ASP 54 -5.517 7.770 -8.896 392 HA ASP 54 HA ASP 54 -8.002 8.249 -7.404 393 HB2 ASP 54 1HB ASP 54 -7.937 7.926 -9.934 394 HB3 ASP 54 2HB ASP 54 -7.452 6.257 -9.656 395 H LEU 55 H LEU 55 -5.226 6.296 -7.272 396 HA LEU 55 HA LEU 55 -6.420 3.907 -6.106 397 HB2 LEU 55 1HB LEU 55 -3.520 4.649 -6.648 398 HB3 LEU 55 2HB LEU 55 -4.041 3.121 -5.949 399 HG LEU 55 HG LEU 55 -5.472 2.840 -8.110 400 HD11 LEU 55 1HD1 LEU 55 -4.638 3.914 -10.139 401 HD12 LEU 55 2HD1 LEU 55 -3.519 4.885 -9.176 402 HD13 LEU 55 3HD1 LEU 55 -5.261 5.101 -8.994 403 HD21 LEU 55 3HD2 LEU 55 -2.455 2.626 -8.273 404 HD22 LEU 55 1HD2 LEU 55 -3.613 1.777 -9.303 405 HD23 LEU 55 2HD2 LEU 55 -3.555 1.431 -7.579 406 H ALA 56 H ALA 56 -5.189 6.857 -4.995 407 HA ALA 56 HA ALA 56 -5.588 6.174 -2.215 408 HB1 ALA 56 3HB ALA 56 -3.243 5.418 -2.534 409 HB2 ALA 56 1HB ALA 56 -3.308 6.830 -1.475 410 HB3 ALA 56 2HB ALA 56 -2.805 7.011 -3.156 411 H PHE 57 H PHE 57 -4.065 8.577 -1.363 412 HA PHE 57 HA PHE 57 -4.334 10.719 -0.974 413 HB2 PHE 57 1HB PHE 57 -4.873 10.783 -3.949 414 HB3 PHE 57 2HB PHE 57 -4.896 12.266 -3.000 415 HD1 PHE 57 HD1 PHE 57 -2.758 12.555 -1.391 416 HD2 PHE 57 HD2 PHE 57 -2.823 10.238 -4.985 417 HE1 PHE 57 HE1 PHE 57 -0.325 12.788 -1.594 418 HE2 PHE 57 HE2 PHE 57 -0.388 10.480 -5.174 419 HZ PHE 57 HZ PHE 57 0.864 11.762 -3.480 420 H ASP 58 H ASP 58 -6.060 9.674 0.232 421 HA ASP 58 HA ASP 58 -8.198 11.447 0.586 422 HB2 ASP 58 1HB ASP 58 -9.271 10.341 -1.337 423 HB3 ASP 58 2HB ASP 58 -8.938 8.748 -0.661 424 H SER 59 H SER 59 -8.947 11.133 2.701 425 HA SER 59 HA SER 59 -7.290 9.770 4.482 426 HB2 SER 59 1HB SER 59 -10.141 10.732 4.976 427 HB3 SER 59 2HB SER 59 -8.948 10.348 6.220 428 HG SER 59 HG SER 59 -9.264 12.617 4.777 429 H LEU 60 H LEU 60 -10.283 8.714 2.941 430 HA LEU 60 HA LEU 60 -10.681 6.453 4.712 431 HB2 LEU 60 1HB LEU 60 -12.166 7.259 2.176 432 HB3 LEU 60 2HB LEU 60 -12.605 5.903 3.202 433 HG LEU 60 HG LEU 60 -12.963 7.588 5.106 434 HD11 LEU 60 1HD1 LEU 60 -13.372 9.934 4.556 435 HD12 LEU 60 2HD1 LEU 60 -12.856 9.657 2.888 436 HD13 LEU 60 3HD1 LEU 60 -11.701 9.494 4.211 437 HD21 LEU 60 3HD2 LEU 60 -14.830 6.575 3.870 438 HD22 LEU 60 1HD2 LEU 60 -14.763 7.877 2.679 439 HD23 LEU 60 2HD2 LEU 60 -15.201 8.226 4.356 440 H VAL 61 H VAL 61 -9.537 6.991 1.363 441 HA VAL 61 HA VAL 61 -9.204 4.222 0.694 442 HB VAL 61 HB VAL 61 -7.711 6.612 -0.569 443 HG11 VAL 61 1HG1 VAL 61 -7.462 5.089 -2.532 444 HG12 VAL 61 2HG1 VAL 61 -8.196 3.768 -1.613 445 HG13 VAL 61 3HG1 VAL 61 -6.651 4.454 -1.102 446 HG21 VAL 61 3HG2 VAL 61 -10.333 5.275 -1.421 447 HG22 VAL 61 1HG2 VAL 61 -9.477 6.537 -2.319 448 HG23 VAL 61 2HG2 VAL 61 -10.166 6.895 -0.735 449 H VAL 62 H VAL 62 -7.077 6.663 2.048 450 HA VAL 62 HA VAL 62 -4.698 5.055 2.183 451 HB VAL 62 HB VAL 62 -5.466 7.731 3.461 452 HG11 VAL 62 1HG1 VAL 62 -2.789 6.298 3.648 453 HG12 VAL 62 2HG1 VAL 62 -3.864 6.710 4.982 454 HG13 VAL 62 3HG1 VAL 62 -3.054 7.990 4.080 455 HG21 VAL 62 3HG2 VAL 62 -3.546 7.037 1.183 456 HG22 VAL 62 1HG2 VAL 62 -3.833 8.660 1.822 457 HG23 VAL 62 2HG2 VAL 62 -5.135 7.788 1.018 458 H SER 63 H SER 63 -7.422 5.707 4.386 459 HA SER 63 HA SER 63 -6.373 4.337 6.664 460 HB2 SER 63 1HB SER 63 -8.300 5.888 6.850 461 HB3 SER 63 2HB SER 63 -9.294 4.782 5.907 462 HG SER 63 HG SER 63 -8.063 4.161 8.396 463 H GLU 64 H GLU 64 -8.128 3.342 3.809 464 HA GLU 64 HA GLU 64 -8.650 0.631 4.509 465 HB2 GLU 64 1HB GLU 64 -9.819 2.000 2.692 466 HB3 GLU 64 2HB GLU 64 -8.364 1.840 1.722 467 HG2 GLU 64 1HG GLU 64 -9.975 0.233 0.954 468 HG3 GLU 64 2HG GLU 64 -8.657 -0.640 1.739 469 H LEU 65 H LEU 65 -6.041 2.320 2.832 470 HA LEU 65 HA LEU 65 -4.585 -0.009 1.989 471 HB2 LEU 65 1HB LEU 65 -4.516 2.176 0.773 472 HB3 LEU 65 2HB LEU 65 -3.675 2.892 2.140 473 HG LEU 65 HG LEU 65 -1.735 1.376 1.742 474 HD11 LEU 65 1HD1 LEU 65 -2.870 -0.549 0.747 475 HD12 LEU 65 2HD1 LEU 65 -1.592 0.023 -0.319 476 HD13 LEU 65 3HD1 LEU 65 -3.277 0.397 -0.687 477 HD21 LEU 65 3HD2 LEU 65 -0.917 2.445 -0.331 478 HD22 LEU 65 1HD2 LEU 65 -1.731 3.608 0.716 479 HD23 LEU 65 2HD2 LEU 65 -2.556 2.978 -0.713 480 H SER 66 H SER 66 -4.393 2.185 4.772 481 HA SER 66 HA SER 66 -1.927 1.154 5.817 482 HB2 SER 66 1HB SER 66 -2.582 2.388 7.915 483 HB3 SER 66 2HB SER 66 -2.577 3.397 6.470 484 HG SER 66 HG SER 66 -4.596 3.794 6.820 485 H LEU 67 H LEU 67 -5.370 0.624 6.485 486 HA LEU 67 HA LEU 67 -5.214 -1.395 8.417 487 HB2 LEU 67 1HB LEU 67 -7.327 -0.320 7.807 488 HB3 LEU 67 2HB LEU 67 -7.227 -0.964 6.177 489 HG LEU 67 HG LEU 67 -7.488 -3.283 7.121 490 HD11 LEU 67 1HD1 LEU 67 -8.022 -1.871 9.755 491 HD12 LEU 67 2HD1 LEU 67 -6.661 -2.934 9.389 492 HD13 LEU 67 3HD1 LEU 67 -8.297 -3.584 9.427 493 HD21 LEU 67 3HD2 LEU 67 -9.745 -1.347 7.737 494 HD22 LEU 67 1HD2 LEU 67 -9.905 -3.098 7.559 495 HD23 LEU 67 2HD2 LEU 67 -9.411 -2.120 6.180 496 H LYS 68 H LYS 68 -4.947 -1.515 4.914 497 HA LYS 68 HA LYS 68 -4.967 -4.310 4.580 498 HB2 LYS 68 1HB LYS 68 -4.753 -2.021 2.846 499 HB3 LYS 68 2HB LYS 68 -3.389 -3.059 2.457 500 HG2 LYS 68 1HG LYS 68 -6.333 -3.816 2.393 501 HG3 LYS 68 2HG LYS 68 -5.261 -3.586 1.006 502 HD2 LYS 68 1HD LYS 68 -3.973 -5.553 1.574 503 HD3 LYS 68 2HD LYS 68 -4.787 -5.711 3.132 504 HE2 LYS 68 1HE LYS 68 -6.924 -6.150 1.932 505 HE3 LYS 68 2HE LYS 68 -6.031 -6.114 0.401 506 HZ1 LYS 68 3HZ LYS 68 -4.683 -7.973 1.202 507 HZ2 LYS 68 1HZ LYS 68 -6.324 -8.383 1.204 508 HZ3 LYS 68 2HZ LYS 68 -5.544 -7.997 2.651 509 H LEU 69 H LEU 69 -2.183 -2.041 4.583 510 HA LEU 69 HA LEU 69 -0.149 -3.992 4.419 511 HB2 LEU 69 1HB LEU 69 -0.019 -1.201 5.608 512 HB3 LEU 69 2HB LEU 69 1.377 -2.183 5.180 513 HG LEU 69 HG LEU 69 -0.673 -1.062 3.230 514 HD11 LEU 69 1HD1 LEU 69 1.153 0.366 2.420 515 HD12 LEU 69 2HD1 LEU 69 2.211 -0.256 3.688 516 HD13 LEU 69 3HD1 LEU 69 0.782 0.689 4.113 517 HD21 LEU 69 3HD2 LEU 69 1.826 -2.689 2.652 518 HD22 LEU 69 1HD2 LEU 69 0.803 -1.900 1.445 519 HD23 LEU 69 2HD2 LEU 69 0.156 -3.216 2.419 520 H ARG 70 H ARG 70 -1.741 -2.484 7.159 521 HA ARG 70 HA ARG 70 -0.262 -3.367 9.349 522 HB2 ARG 70 1HB ARG 70 -2.047 -1.715 9.519 523 HB3 ARG 70 2HB ARG 70 -3.248 -2.886 9.004 524 HG2 ARG 70 1HG ARG 70 -3.011 -4.093 11.133 525 HG3 ARG 70 2HG ARG 70 -1.745 -2.966 11.641 526 HD2 ARG 70 1HD ARG 70 -3.366 -1.094 11.512 527 HD3 ARG 70 2HD ARG 70 -4.634 -2.226 11.024 528 HE ARG 70 HE ARG 70 -3.415 -2.967 13.507 529 HH11 ARG 70 1HH1 ARG 70 -5.804 -0.771 12.131 530 HH12 ARG 70 2HH1 ARG 70 -6.701 -0.633 13.607 531 HH21 ARG 70 1HH2 ARG 70 -4.628 -2.760 15.436 532 HH22 ARG 70 2HH2 ARG 70 -6.049 -1.771 15.455 533 H LYS 71 H LYS 71 -2.850 -4.948 7.542 534 HA LYS 71 HA LYS 71 -2.838 -7.351 9.196 535 HB2 LYS 71 1HB LYS 71 -4.984 -6.430 8.383 536 HB3 LYS 71 2HB LYS 71 -4.446 -6.578 6.718 537 HG2 LYS 71 1HG LYS 71 -6.016 -8.358 7.243 538 HG3 LYS 71 2HG LYS 71 -4.422 -9.041 6.930 539 HD2 LYS 71 1HD LYS 71 -5.391 -10.197 8.814 540 HD3 LYS 71 2HD LYS 71 -4.054 -9.211 9.405 541 HE2 LYS 71 1HE LYS 71 -5.630 -7.524 10.238 542 HE3 LYS 71 2HE LYS 71 -6.991 -8.435 9.570 543 HZ1 LYS 71 3HZ LYS 71 -6.759 -8.876 11.920 544 HZ2 LYS 71 1HZ LYS 71 -5.152 -9.357 11.715 545 HZ3 LYS 71 2HZ LYS 71 -6.401 -10.280 11.054 546 H GLU 72 H GLU 72 -1.464 -6.279 6.145 547 HA GLU 72 HA GLU 72 -1.333 -8.978 5.021 548 HB2 GLU 72 1HB GLU 72 -2.102 -6.920 3.703 549 HB3 GLU 72 2HB GLU 72 -0.432 -6.372 3.737 550 HG2 GLU 72 1HG GLU 72 -0.743 -7.401 1.627 551 HG3 GLU 72 2HG GLU 72 0.207 -8.538 2.577 552 H PHE 73 H PHE 73 0.935 -6.263 5.559 553 HA PHE 73 HA PHE 73 3.247 -8.125 5.498 554 HB2 PHE 73 1HB PHE 73 3.149 -5.125 4.917 555 HB3 PHE 73 2HB PHE 73 4.604 -6.115 4.887 556 HD1 PHE 73 HD2 PHE 73 4.747 -8.008 3.137 557 HD2 PHE 73 HD1 PHE 73 1.777 -4.931 2.958 558 HE1 PHE 73 HE2 PHE 73 4.382 -8.488 0.753 559 HE2 PHE 73 HE1 PHE 73 1.417 -5.425 0.569 560 HZ PHE 73 HZ PHE 73 2.723 -7.199 -0.538 561 H GLY 74 H GLY 74 1.308 -6.542 7.660 562 HA2 GLY 74 1HA GLY 74 1.485 -6.203 9.930 563 HA3 GLY 74 2HA GLY 74 3.169 -6.706 9.858 564 H VAL 75 H VAL 75 2.517 -4.259 7.600 565 HA VAL 75 HA VAL 75 4.199 -2.384 9.045 566 HB VAL 75 HB VAL 75 2.970 -2.115 6.242 567 HG11 VAL 75 1HG1 VAL 75 5.308 -0.621 7.499 568 HG12 VAL 75 2HG1 VAL 75 3.711 0.039 7.159 569 HG13 VAL 75 3HG1 VAL 75 4.755 -0.453 5.828 570 HG21 VAL 75 3HG2 VAL 75 4.408 -4.125 6.399 571 HG22 VAL 75 1HG2 VAL 75 5.743 -3.141 7.005 572 HG23 VAL 75 2HG2 VAL 75 5.140 -2.903 5.361 573 H THR 76 H THR 76 3.087 -1.434 10.674 574 HA THR 76 HA THR 76 0.354 -0.350 10.241 575 HB THR 76 HB THR 76 1.688 -1.191 12.861 576 HG1 THR 76 HG1 THR 76 1.394 -2.947 11.404 577 HG21 THR 76 3HG2 THR 76 -0.204 0.391 13.164 578 HG22 THR 76 1HG2 THR 76 -0.605 -1.217 13.765 579 HG23 THR 76 2HG2 THR 76 -1.245 -0.673 12.214 580 H GLY 77 H GLY 77 -0.188 1.678 11.267 581 HA2 GLY 77 1HA GLY 77 0.115 3.743 12.225 582 HA3 GLY 77 2HA GLY 77 1.749 3.282 12.673 583 H VAL 78 H VAL 78 1.341 2.711 9.420 584 HA VAL 78 HA VAL 78 2.960 5.038 8.683 585 HB VAL 78 HB VAL 78 3.503 3.776 6.653 586 HG11 VAL 78 1HG1 VAL 78 3.751 2.030 9.139 587 HG12 VAL 78 2HG1 VAL 78 4.847 3.330 8.666 588 HG13 VAL 78 3HG1 VAL 78 4.721 1.883 7.670 589 HG21 VAL 78 3HG2 VAL 78 2.639 1.474 6.265 590 HG22 VAL 78 1HG2 VAL 78 1.342 2.669 6.232 591 HG23 VAL 78 2HG2 VAL 78 1.560 1.643 7.652 592 H ASP 79 H ASP 79 -0.119 4.926 9.044 593 HA ASP 79 HA ASP 79 -1.501 5.214 6.642 594 HB2 ASP 79 1HB ASP 79 -2.620 4.978 8.817 595 HB3 ASP 79 2HB ASP 79 -1.998 6.536 9.343 596 H ASP 80 H ASP 80 -0.133 7.761 8.714 597 HA ASP 80 HA ASP 80 -0.542 9.982 7.094 598 HB2 ASP 80 1HB ASP 80 0.095 10.219 9.414 599 HB3 ASP 80 2HB ASP 80 1.601 9.348 9.153 600 H GLU 81 H GLU 81 2.189 7.700 7.167 601 HA GLU 81 HA GLU 81 3.905 8.985 5.348 602 HB2 GLU 81 1HB GLU 81 3.666 5.977 5.835 603 HB3 GLU 81 2HB GLU 81 5.054 6.812 5.145 604 HG2 GLU 81 1HG GLU 81 4.027 7.099 7.986 605 HG3 GLU 81 2HG GLU 81 5.460 6.206 7.478 606 H LEU 82 H LEU 82 1.211 6.761 4.815 607 HA LEU 82 HA LEU 82 1.595 6.211 2.048 608 HB2 LEU 82 1HB LEU 82 -0.958 6.166 3.693 609 HB3 LEU 82 2HB LEU 82 -0.792 5.472 2.086 610 HG LEU 82 HG LEU 82 0.700 4.533 4.558 611 HD11 LEU 82 1HD1 LEU 82 -1.653 3.259 3.148 612 HD12 LEU 82 2HD1 LEU 82 -1.686 4.051 4.724 613 HD13 LEU 82 3HD1 LEU 82 -0.750 2.576 4.504 614 HD21 LEU 82 3HD2 LEU 82 1.386 2.628 3.202 615 HD22 LEU 82 1HD2 LEU 82 1.973 4.136 2.513 616 HD23 LEU 82 2HD2 LEU 82 0.583 3.320 1.790 617 H ASP 83 H ASP 83 -0.198 8.689 3.810 618 HA ASP 83 HA ASP 83 -1.434 10.015 1.670 619 HB2 ASP 83 1HB ASP 83 -2.005 10.597 3.945 620 HB3 ASP 83 2HB ASP 83 -0.354 11.058 4.318 621 H LEU 84 H LEU 84 1.854 10.382 2.996 622 HA LEU 84 HA LEU 84 2.668 12.486 1.220 623 HB2 LEU 84 1HB LEU 84 4.188 10.643 3.083 624 HB3 LEU 84 2HB LEU 84 5.050 11.722 2.005 625 HG LEU 84 HG LEU 84 4.958 12.750 4.191 626 HD11 LEU 84 1HD1 LEU 84 4.771 14.291 2.303 627 HD12 LEU 84 2HD1 LEU 84 3.901 14.898 3.708 628 HD13 LEU 84 3HD1 LEU 84 3.007 14.184 2.365 629 HD21 LEU 84 3HD2 LEU 84 2.861 13.329 5.343 630 HD22 LEU 84 1HD2 LEU 84 3.048 11.588 5.151 631 HD23 LEU 84 2HD2 LEU 84 1.942 12.474 4.100 632 H LEU 85 H LEU 85 2.487 9.032 0.796 633 HA LEU 85 HA LEU 85 4.468 8.832 -1.306 634 HB2 LEU 85 1HB LEU 85 2.199 6.941 -0.585 635 HB3 LEU 85 2HB LEU 85 3.529 6.568 -1.674 636 HG LEU 85 HG LEU 85 3.804 7.132 1.300 637 HD11 LEU 85 1HD1 LEU 85 4.324 4.738 1.493 638 HD12 LEU 85 2HD1 LEU 85 3.937 4.527 -0.212 639 HD13 LEU 85 3HD1 LEU 85 2.684 5.029 0.923 640 HD21 LEU 85 3HD2 LEU 85 5.824 7.824 0.067 641 HD22 LEU 85 1HD2 LEU 85 5.926 6.223 -0.675 642 HD23 LEU 85 2HD2 LEU 85 6.137 6.409 1.066 643 H GLU 86 H GLU 86 4.216 9.252 -3.405 644 HA GLU 86 HA GLU 86 1.576 10.109 -4.431 645 HB2 GLU 86 1HB GLU 86 3.431 11.773 -4.431 646 HB3 GLU 86 2HB GLU 86 4.384 10.703 -5.453 647 HG2 GLU 86 1HG GLU 86 2.515 10.889 -7.184 648 HG3 GLU 86 2HG GLU 86 1.836 12.179 -6.188 649 H THR 87 H THR 87 4.149 7.768 -4.911 650 HA THR 87 HA THR 87 2.671 6.551 -7.171 651 HB THR 87 HB THR 87 4.919 5.873 -8.158 652 HG1 THR 87 HG1 THR 87 5.852 7.804 -6.283 653 HG21 THR 87 3HG2 THR 87 5.402 8.021 -9.247 654 HG22 THR 87 1HG2 THR 87 4.443 8.876 -8.035 655 HG23 THR 87 2HG2 THR 87 3.659 7.761 -9.160 656 H VAL 88 H VAL 88 3.324 4.303 -7.564 657 HA VAL 88 HA VAL 88 2.913 2.756 -5.214 658 HB VAL 88 HB VAL 88 3.472 1.881 -8.092 659 HG11 VAL 88 1HG1 VAL 88 2.509 -0.317 -7.459 660 HG12 VAL 88 2HG1 VAL 88 2.408 0.215 -5.776 661 HG13 VAL 88 3HG1 VAL 88 3.979 0.043 -6.553 662 HG21 VAL 88 3HG2 VAL 88 0.821 2.147 -6.607 663 HG22 VAL 88 1HG2 VAL 88 1.027 1.552 -8.258 664 HG23 VAL 88 2HG2 VAL 88 1.412 3.228 -7.870 665 H ASP 89 H ASP 89 5.736 3.372 -7.292 666 HA ASP 89 HA ASP 89 7.457 1.428 -6.126 667 HB2 ASP 89 1HB ASP 89 9.314 2.618 -7.265 668 HB3 ASP 89 2HB ASP 89 7.956 2.305 -8.336 669 H GLU 90 H GLU 90 6.690 4.761 -5.261 670 HA GLU 90 HA GLU 90 8.617 5.070 -3.195 671 HB2 GLU 90 1HB GLU 90 5.889 6.338 -3.610 672 HB3 GLU 90 2HB GLU 90 6.911 6.747 -2.233 673 HG2 GLU 90 1HG GLU 90 8.684 7.511 -3.810 674 HG3 GLU 90 2HG GLU 90 7.602 7.165 -5.161 675 H LEU 91 H LEU 91 5.318 3.721 -3.225 676 HA LEU 91 HA LEU 91 5.145 3.078 -0.476 677 HB2 LEU 91 1HB LEU 91 3.166 3.066 -1.873 678 HB3 LEU 91 2HB LEU 91 3.826 1.789 -2.881 679 HG LEU 91 HG LEU 91 3.606 0.162 -1.053 680 HD11 LEU 91 1HD1 LEU 91 4.014 1.571 0.891 681 HD12 LEU 91 2HD1 LEU 91 2.489 0.709 1.072 682 HD13 LEU 91 3HD1 LEU 91 2.486 2.418 0.633 683 HD21 LEU 91 3HD2 LEU 91 1.167 0.029 -0.931 684 HD22 LEU 91 1HD2 LEU 91 1.692 0.473 -2.553 685 HD23 LEU 91 2HD2 LEU 91 1.025 1.703 -1.473 686 H PHE 92 H PHE 92 6.433 1.225 -3.220 687 HA PHE 92 HA PHE 92 7.024 -1.189 -1.931 688 HB2 PHE 92 1HB PHE 92 8.101 0.175 -4.398 689 HB3 PHE 92 2HB PHE 92 8.950 -1.246 -3.798 690 HD1 PHE 92 HD1 PHE 92 7.413 -3.313 -3.232 691 HD2 PHE 92 HD2 PHE 92 6.345 -0.216 -5.978 692 HE1 PHE 92 HE1 PHE 92 5.847 -4.827 -4.340 693 HE2 PHE 92 HE2 PHE 92 4.786 -1.756 -7.090 694 HZ PHE 92 HZ PHE 92 4.525 -4.054 -6.272 695 H GLN 93 H GLN 93 9.252 1.560 -2.565 696 HA GLN 93 HA GLN 93 11.428 0.422 -1.169 697 HB2 GLN 93 1HB GLN 93 12.557 2.585 -1.423 698 HB3 GLN 93 2HB GLN 93 11.788 2.083 -2.917 699 HG2 GLN 93 1HG GLN 93 11.326 4.352 -2.859 700 HG3 GLN 93 2HG GLN 93 9.845 3.647 -2.226 701 HE21 GLN 93 2HE2 GLN 93 9.266 5.569 -1.159 702 HE22 GLN 93 1HE2 GLN 93 10.083 6.130 0.251 703 H LEU 94 H LEU 94 8.699 2.293 -0.054 704 HA LEU 94 HA LEU 94 9.756 3.004 2.498 705 HB2 LEU 94 1HB LEU 94 7.777 4.162 1.598 706 HB3 LEU 94 2HB LEU 94 6.854 2.665 1.644 707 HG LEU 94 HG LEU 94 7.011 2.635 4.133 708 HD11 LEU 94 1HD1 LEU 94 7.852 4.605 5.372 709 HD12 LEU 94 2HD1 LEU 94 8.448 5.301 3.862 710 HD13 LEU 94 3HD1 LEU 94 9.130 3.792 4.473 711 HD21 LEU 94 3HD2 LEU 94 5.053 3.690 3.118 712 HD22 LEU 94 1HD2 LEU 94 5.896 5.240 3.043 713 HD23 LEU 94 2HD2 LEU 94 5.501 4.519 4.605 714 H VAL 95 H VAL 95 7.668 0.301 1.410 715 HA VAL 95 HA VAL 95 7.368 -1.004 3.883 716 HB VAL 95 HB VAL 95 7.315 -2.223 1.071 717 HG11 VAL 95 1HG1 VAL 95 7.699 -4.012 2.721 718 HG12 VAL 95 2HG1 VAL 95 6.072 -4.135 2.058 719 HG13 VAL 95 3HG1 VAL 95 6.316 -3.466 3.674 720 HG21 VAL 95 3HG2 VAL 95 4.854 -2.077 1.267 721 HG22 VAL 95 1HG2 VAL 95 5.591 -0.484 1.442 722 HG23 VAL 95 2HG2 VAL 95 5.008 -1.343 2.867 723 H GLU 96 H GLU 96 9.835 -1.385 1.353 724 HA GLU 96 HA GLU 96 11.231 -3.591 2.490 725 HB2 GLU 96 1HB GLU 96 12.159 -1.499 0.485 726 HB3 GLU 96 2HB GLU 96 13.001 -3.011 0.828 727 HG2 GLU 96 1HG GLU 96 11.107 -4.304 -0.051 728 HG3 GLU 96 2HG GLU 96 10.182 -2.825 -0.301 729 H LYS 97 H LYS 97 11.862 -0.076 2.552 730 HA LYS 97 HA LYS 97 14.313 -0.118 3.966 731 HB2 LYS 97 1HB LYS 97 13.620 1.848 2.692 732 HB3 LYS 97 2HB LYS 97 12.208 2.066 3.718 733 HG2 LYS 97 1HG LYS 97 13.729 2.554 5.651 734 HG3 LYS 97 2HG LYS 97 15.114 2.427 4.558 735 HD2 LYS 97 1HD LYS 97 14.229 4.315 3.224 736 HD3 LYS 97 2HD LYS 97 12.833 4.425 4.300 737 HE2 LYS 97 1HE LYS 97 14.333 4.982 6.183 738 HE3 LYS 97 2HE LYS 97 15.727 4.870 5.107 739 HZ1 LYS 97 3HZ LYS 97 14.795 6.687 3.809 740 HZ2 LYS 97 1HZ LYS 97 15.061 7.145 5.411 741 HZ3 LYS 97 2HZ LYS 97 13.495 6.814 4.876 742 H HIS 98 H HIS 98 11.017 0.592 5.074 743 HA HIS 98 HA HIS 98 11.626 0.957 7.808 744 HB2 HIS 98 1HB HIS 98 9.688 2.003 6.741 745 HB3 HIS 98 2HB HIS 98 8.986 0.429 6.385 746 HD1 HIS 98 HD1 HIS 98 10.021 2.412 9.484 747 HD2 HIS 98 HD2 HIS 98 7.151 -0.299 8.211 748 HE1 HIS 98 HE1 HIS 98 8.486 2.093 11.438 749 HE2 HIS 98 HE2 HIS 98 6.952 0.252 10.720 750 H ARG 99 H ARG 99 10.985 -1.896 5.927 751 HA ARG 99 HA ARG 99 10.254 -3.707 8.009 752 HB2 ARG 99 1HB ARG 99 9.910 -4.115 5.550 753 HB3 ARG 99 2HB ARG 99 11.649 -4.308 5.357 754 HG2 ARG 99 1HG ARG 99 11.548 -6.274 6.911 755 HG3 ARG 99 2HG ARG 99 9.792 -6.089 6.970 756 HD2 ARG 99 1HD ARG 99 9.734 -6.395 4.474 757 HD3 ARG 99 2HD ARG 99 11.471 -6.742 4.517 758 HE ARG 99 HE ARG 99 9.507 -8.348 6.038 759 HH11 ARG 99 1HH1 ARG 99 12.143 -8.258 3.718 760 HH12 ARG 99 2HH1 ARG 99 12.256 -9.985 3.624 761 HH21 ARG 99 1HH2 ARG 99 9.669 -10.582 5.876 762 HH22 ARG 99 2HH2 ARG 99 10.859 -11.291 4.841 763 H ALA 100 H ALA 100 13.368 -3.117 6.315 764 HA ALA 100 HA ALA 100 14.824 -4.854 8.169 765 HB1 ALA 100 3HB ALA 100 15.237 -5.058 5.753 766 HB2 ALA 100 1HB ALA 100 16.704 -4.574 6.608 767 HB3 ALA 100 2HB ALA 100 15.779 -3.381 5.693 768 H ALA 101 H ALA 101 15.377 -1.579 6.858 769 HA ALA 101 HA ALA 101 17.114 -0.803 9.040 770 HB1 ALA 101 3HB ALA 101 16.041 0.826 6.704 771 HB2 ALA 101 1HB ALA 101 17.568 -0.056 6.731 772 HB3 ALA 101 2HB ALA 101 17.329 1.322 7.806 773 H GLY 102 H GLY 102 15.714 -1.000 10.826 774 HA2 GLY 102 1HA GLY 102 13.261 0.599 11.020 775 HA3 GLY 102 2HA GLY 102 13.861 -0.566 12.192 776 H SER 103 H SER 103 15.685 2.140 10.802 777 HA SER 103 HA SER 103 15.408 3.908 13.040 778 HB2 SER 103 1HB SER 103 17.874 3.825 13.692 779 HB3 SER 103 2HB SER 103 16.954 2.394 14.139 780 HG SER 103 HG SER 103 18.070 2.201 11.645 Start of MODEL 3 1 H1 MET 1 1H MET 1 -0.693 35.370 -36.549 2 H2 MET 1 2H MET 1 -0.130 36.460 -37.709 3 H3 MET 1 3H MET 1 0.409 36.573 -36.114 4 HA MET 1 HA MET 1 0.912 34.316 -37.956 5 HB2 MET 1 1HB MET 1 2.825 36.451 -36.916 6 HB3 MET 1 2HB MET 1 3.292 35.081 -37.913 7 HG2 MET 1 1HG MET 1 1.937 35.959 -39.767 8 HG3 MET 1 2HG MET 1 1.453 37.332 -38.769 9 HE1 MET 1 3HE MET 1 4.984 39.114 -38.282 10 HE2 MET 1 1HE MET 1 4.331 37.856 -37.234 11 HE3 MET 1 2HE MET 1 3.282 39.150 -37.818 12 H GLY 2 H GLY 2 2.549 32.794 -37.083 13 HA2 GLY 2 1HA GLY 2 3.856 31.855 -35.346 14 HA3 GLY 2 2HA GLY 2 2.967 32.800 -34.164 15 H SER 3 H SER 3 0.900 31.290 -36.418 16 HA SER 3 HA SER 3 -0.108 29.426 -34.441 17 HB2 SER 3 1HB SER 3 -1.844 28.960 -36.258 18 HB3 SER 3 2HB SER 3 -1.767 30.632 -35.700 19 HG SER 3 HG SER 3 -0.090 30.113 -37.810 20 H SER 4 H SER 4 1.932 28.211 -34.375 21 HA SER 4 HA SER 4 2.592 26.439 -36.600 22 HB2 SER 4 1HB SER 4 3.789 26.617 -33.793 23 HB3 SER 4 2HB SER 4 4.464 25.728 -35.163 24 HG SER 4 HG SER 4 4.851 27.656 -36.207 25 H HIS 5 H HIS 5 1.505 24.570 -36.855 26 HA HIS 5 HA HIS 5 0.677 22.966 -34.515 27 HB2 HIS 5 1HB HIS 5 -1.098 23.555 -36.933 28 HB3 HIS 5 2HB HIS 5 -1.483 22.412 -35.649 29 HD1 HIS 5 HD1 HIS 5 -1.865 25.894 -36.592 30 HD2 HIS 5 HD2 HIS 5 -1.891 23.748 -33.042 31 HE1 HIS 5 HE1 HIS 5 -2.976 27.381 -34.924 32 HE2 HIS 5 HE2 HIS 5 -3.113 26.010 -32.821 33 H ASP 6 H ASP 6 2.333 21.543 -34.833 34 HA ASP 6 HA ASP 6 2.648 20.178 -37.433 35 HB2 ASP 6 1HB ASP 6 4.419 20.151 -34.938 36 HB3 ASP 6 2HB ASP 6 4.749 19.236 -36.410 37 H HIS 7 H HIS 7 1.075 18.693 -37.562 38 HA HIS 7 HA HIS 7 0.154 17.097 -35.328 39 HB2 HIS 7 1HB HIS 7 -0.525 16.902 -38.297 40 HB3 HIS 7 2HB HIS 7 -1.379 16.081 -36.998 41 HD1 HIS 7 HD1 HIS 7 -3.497 17.209 -36.401 42 HD2 HIS 7 HD2 HIS 7 -0.714 19.927 -37.866 43 HE1 HIS 7 HE1 HIS 7 -4.687 19.413 -36.499 44 HE2 HIS 7 HE2 HIS 7 -3.052 20.983 -37.577 45 H HIS 8 H HIS 8 1.253 15.319 -34.662 46 HA HIS 8 HA HIS 8 2.079 13.291 -36.555 47 HB2 HIS 8 1HB HIS 8 4.411 13.110 -35.770 48 HB3 HIS 8 2HB HIS 8 4.127 14.686 -36.483 49 HD1 HIS 8 HD1 HIS 8 5.245 13.035 -33.395 50 HD2 HIS 8 HD2 HIS 8 4.026 16.838 -34.516 51 HE1 HIS 8 HE1 HIS 8 5.985 14.546 -31.545 52 HE2 HIS 8 HE2 HIS 8 5.042 16.797 -32.151 53 H HIS 9 H HIS 9 1.117 11.547 -35.727 54 HA HIS 9 HA HIS 9 1.642 10.729 -32.946 55 HB2 HIS 9 1HB HIS 9 -1.161 10.795 -34.181 56 HB3 HIS 9 2HB HIS 9 -0.760 9.937 -32.698 57 HD1 HIS 9 HD1 HIS 9 -2.051 13.083 -33.846 58 HD2 HIS 9 HD2 HIS 9 0.277 11.874 -30.624 59 HE1 HIS 9 HE1 HIS 9 -2.215 14.932 -32.165 60 HE2 HIS 9 HE2 HIS 9 -0.926 14.114 -30.167 61 H HIS 10 H HIS 10 2.471 8.754 -33.022 62 HA HIS 10 HA HIS 10 1.525 6.685 -34.858 63 HB2 HIS 10 1HB HIS 10 3.321 7.911 -36.135 64 HB3 HIS 10 2HB HIS 10 4.458 7.586 -34.836 65 HD1 HIS 10 HD1 HIS 10 2.815 6.005 -37.787 66 HD2 HIS 10 HD2 HIS 10 5.413 4.891 -34.742 67 HE1 HIS 10 HE1 HIS 10 3.798 3.815 -38.502 68 HE2 HIS 10 HE2 HIS 10 5.206 3.080 -36.561 69 H SER 11 H SER 11 0.800 5.788 -32.866 70 HA SER 11 HA SER 11 2.872 4.796 -30.991 71 HB2 SER 11 1HB SER 11 0.949 4.568 -29.362 72 HB3 SER 11 2HB SER 11 1.247 6.229 -29.867 73 HG SER 11 HG SER 11 -0.954 5.846 -29.953 74 H SER 12 H SER 12 3.170 2.652 -30.814 75 HA SER 12 HA SER 12 1.172 0.650 -31.333 76 HB2 SER 12 1HB SER 12 2.553 -0.527 -33.139 77 HB3 SER 12 2HB SER 12 1.803 0.978 -33.663 78 HG SER 12 HG SER 12 3.849 2.001 -33.220 79 H GLY 13 H GLY 13 4.740 0.924 -31.388 80 HA2 GLY 13 1HA GLY 13 6.311 0.337 -29.803 81 HA3 GLY 13 2HA GLY 13 5.042 -0.290 -28.765 82 H ARG 14 H ARG 14 7.710 -1.331 -29.897 83 HA ARG 14 HA ARG 14 6.986 -3.802 -31.252 84 HB2 ARG 14 1HB ARG 14 9.623 -2.682 -30.218 85 HB3 ARG 14 2HB ARG 14 9.494 -4.253 -31.004 86 HG2 ARG 14 1HG ARG 14 8.752 -3.196 -33.085 87 HG3 ARG 14 2HG ARG 14 8.732 -1.613 -32.306 88 HD2 ARG 14 1HD ARG 14 11.220 -3.316 -32.691 89 HD3 ARG 14 2HD ARG 14 10.739 -1.987 -33.750 90 HE ARG 14 HE ARG 14 10.825 -0.917 -31.199 91 HH11 ARG 14 1HH1 ARG 14 13.169 -2.459 -33.330 92 HH12 ARG 14 2HH1 ARG 14 14.502 -1.531 -32.723 93 HH21 ARG 14 1HH2 ARG 14 12.595 0.282 -30.428 94 HH22 ARG 14 2HH2 ARG 14 14.172 0.022 -31.097 95 H GLU 15 H GLU 15 8.318 -2.831 -28.104 96 HA GLU 15 HA GLU 15 8.012 -5.518 -26.979 97 HB2 GLU 15 1HB GLU 15 9.153 -2.990 -25.718 98 HB3 GLU 15 2HB GLU 15 9.221 -4.610 -25.022 99 HG2 GLU 15 1HG GLU 15 10.601 -5.344 -26.991 100 HG3 GLU 15 2HG GLU 15 10.599 -3.676 -27.568 101 H ASN 16 H ASN 16 5.735 -5.590 -27.029 102 HA ASN 16 HA ASN 16 4.105 -3.707 -25.519 103 HB2 ASN 16 1HB ASN 16 3.364 -6.275 -26.999 104 HB3 ASN 16 2HB ASN 16 2.205 -5.186 -26.246 105 HD21 ASN 16 2HD2 ASN 16 4.477 -5.578 -28.892 106 HD22 ASN 16 1HD2 ASN 16 3.876 -4.273 -29.850 107 H LEU 17 H LEU 17 2.950 -4.201 -23.658 108 HA LEU 17 HA LEU 17 2.308 -5.118 -21.707 109 HB2 LEU 17 1HB LEU 17 3.021 -7.773 -23.025 110 HB3 LEU 17 2HB LEU 17 2.041 -7.590 -21.577 111 HG LEU 17 HG LEU 17 1.260 -6.475 -24.303 112 HD11 LEU 17 1HD1 LEU 17 1.292 -8.906 -24.414 113 HD12 LEU 17 2HD1 LEU 17 -0.364 -8.305 -24.460 114 HD13 LEU 17 3HD1 LEU 17 0.278 -9.007 -22.972 115 HD21 LEU 17 3HD2 LEU 17 -0.368 -6.724 -21.740 116 HD22 LEU 17 1HD2 LEU 17 -0.985 -6.160 -23.297 117 HD23 LEU 17 2HD2 LEU 17 0.240 -5.225 -22.444 118 H TYR 18 H TYR 18 3.113 -6.883 -19.927 119 HA TYR 18 HA TYR 18 6.021 -7.004 -19.687 120 HB2 TYR 18 1HB TYR 18 6.007 -5.980 -17.386 121 HB3 TYR 18 2HB TYR 18 5.624 -4.836 -18.661 122 HD1 TYR 18 HD1 TYR 18 3.095 -4.245 -19.030 123 HD2 TYR 18 HD2 TYR 18 4.529 -6.180 -15.489 124 HE1 TYR 18 HE1 TYR 18 1.073 -3.549 -17.829 125 HE2 TYR 18 HE2 TYR 18 2.493 -5.481 -14.297 126 HH TYR 18 HH TYR 18 -0.246 -4.273 -15.859 127 H PHE 19 H PHE 19 6.235 -9.138 -19.447 128 HA PHE 19 HA PHE 19 4.489 -10.622 -17.569 129 HB2 PHE 19 1HB PHE 19 6.186 -11.662 -19.887 130 HB3 PHE 19 2HB PHE 19 5.267 -12.684 -18.781 131 HD1 PHE 19 HD1 PHE 19 2.726 -12.466 -18.717 132 HD2 PHE 19 HD2 PHE 19 5.086 -10.616 -21.775 133 HE1 PHE 19 HE1 PHE 19 0.723 -12.208 -20.119 134 HE2 PHE 19 HE2 PHE 19 3.078 -10.376 -23.170 135 HZ PHE 19 HZ PHE 19 0.893 -11.166 -22.346 136 H GLN 20 H GLN 20 5.452 -10.412 -15.631 137 HA GLN 20 HA GLN 20 8.358 -10.983 -15.346 138 HB2 GLN 20 1HB GLN 20 6.655 -9.002 -13.755 139 HB3 GLN 20 2HB GLN 20 8.356 -9.356 -13.447 140 HG2 GLN 20 1HG GLN 20 8.996 -8.422 -15.610 141 HG3 GLN 20 2HG GLN 20 7.300 -8.183 -16.041 142 HE21 GLN 20 2HE2 GLN 20 7.630 -5.951 -16.369 143 HE22 GLN 20 1HE2 GLN 20 7.861 -4.853 -15.054 144 H GLY 21 H GLY 21 7.837 -13.196 -15.006 145 HA2 GLY 21 1HA GLY 21 6.125 -14.016 -12.778 146 HA3 GLY 21 2HA GLY 21 6.989 -15.063 -13.895 147 H HIS 22 H HIS 22 9.594 -14.134 -13.629 148 HA HIS 22 HA HIS 22 10.432 -15.289 -11.120 149 HB2 HIS 22 1HB HIS 22 11.704 -15.585 -13.276 150 HB3 HIS 22 2HB HIS 22 12.133 -13.882 -13.230 151 HD1 HIS 22 HD1 HIS 22 13.178 -17.180 -11.994 152 HD2 HIS 22 HD2 HIS 22 13.935 -13.221 -10.986 153 HE1 HIS 22 HE1 HIS 22 15.236 -17.227 -10.565 154 HE2 HIS 22 HE2 HIS 22 15.538 -14.856 -9.808 155 H MET 23 H MET 23 9.883 -14.060 -9.396 156 HA MET 23 HA MET 23 11.190 -11.488 -8.980 157 HB2 MET 23 1HB MET 23 9.031 -10.402 -8.218 158 HB3 MET 23 2HB MET 23 9.130 -10.697 -9.944 159 HG2 MET 23 1HG MET 23 7.671 -12.655 -9.720 160 HG3 MET 23 2HG MET 23 7.595 -12.406 -7.973 161 HE1 MET 23 3HE MET 23 3.990 -11.430 -9.098 162 HE2 MET 23 1HE MET 23 4.963 -12.448 -8.038 163 HE3 MET 23 2HE MET 23 4.992 -12.708 -9.783 164 HA PRO 24 HA PRO 24 11.345 -14.263 -5.291 165 HB2 PRO 24 1HB PRO 24 13.906 -13.809 -4.571 166 HB3 PRO 24 2HB PRO 24 13.520 -14.765 -6.011 167 HG2 PRO 24 1HG PRO 24 14.322 -11.858 -5.831 168 HG3 PRO 24 2HG PRO 24 14.926 -13.117 -6.931 169 HD2 PRO 24 1HD PRO 24 12.984 -11.285 -7.633 170 HD3 PRO 24 2HD PRO 24 13.116 -12.901 -8.367 171 H ASN 25 H ASN 25 10.899 -11.049 -5.471 172 HA ASN 25 HA ASN 25 11.818 -10.083 -2.954 173 HB2 ASN 25 1HB ASN 25 10.503 -8.057 -3.478 174 HB3 ASN 25 2HB ASN 25 11.482 -8.559 -4.852 175 HD21 ASN 25 2HD2 ASN 25 10.422 -9.420 -6.684 176 HD22 ASN 25 1HD2 ASN 25 8.734 -9.172 -6.945 177 H ASP 26 H ASP 26 8.665 -11.205 -4.151 178 HA ASP 26 HA ASP 26 6.628 -11.528 -3.245 179 HB2 ASP 26 1HB ASP 26 7.857 -13.441 -2.241 180 HB3 ASP 26 2HB ASP 26 8.300 -12.446 -0.862 181 H MET 27 H MET 27 6.330 -9.183 -3.358 182 HA MET 27 HA MET 27 5.468 -7.894 -0.975 183 HB2 MET 27 1HB MET 27 7.965 -7.722 -0.619 184 HB3 MET 27 2HB MET 27 8.096 -6.802 -2.110 185 HG2 MET 27 1HG MET 27 6.433 -5.878 0.251 186 HG3 MET 27 2HG MET 27 8.135 -5.468 0.071 187 HE1 MET 27 3HE MET 27 8.062 -3.248 -3.194 188 HE2 MET 27 1HE MET 27 8.353 -4.986 -3.123 189 HE3 MET 27 2HE MET 27 9.083 -3.916 -1.922 190 H GLU 28 H GLU 28 6.928 -7.124 -4.179 191 HA GLU 28 HA GLU 28 5.482 -4.775 -4.695 192 HB2 GLU 28 1HB GLU 28 6.253 -4.952 -7.015 193 HB3 GLU 28 2HB GLU 28 7.558 -5.382 -5.919 194 HG2 GLU 28 1HG GLU 28 7.169 -7.777 -6.400 195 HG3 GLU 28 2HG GLU 28 5.854 -7.342 -7.486 196 H ASP 29 H ASP 29 4.806 -8.108 -5.501 197 HA ASP 29 HA ASP 29 2.468 -7.690 -7.100 198 HB2 ASP 29 1HB ASP 29 2.317 -10.136 -7.073 199 HB3 ASP 29 2HB ASP 29 3.988 -9.658 -7.332 200 H HIS 30 H HIS 30 3.134 -8.192 -3.703 201 HA HIS 30 HA HIS 30 0.525 -8.989 -2.859 202 HB2 HIS 30 1HB HIS 30 2.841 -9.276 -1.659 203 HB3 HIS 30 2HB HIS 30 2.583 -7.646 -1.054 204 HD1 HIS 30 HD1 HIS 30 2.151 -11.007 -0.065 205 HD2 HIS 30 HD2 HIS 30 -0.185 -7.594 0.328 206 HE1 HIS 30 HE1 HIS 30 0.549 -11.488 1.800 207 HE2 HIS 30 HE2 HIS 30 -0.961 -9.492 1.871 208 H LEU 31 H LEU 31 2.326 -5.926 -2.718 209 HA LEU 31 HA LEU 31 0.293 -4.237 -1.730 210 HB2 LEU 31 1HB LEU 31 2.845 -3.775 -3.286 211 HB3 LEU 31 2HB LEU 31 1.736 -2.435 -3.052 212 HG LEU 31 HG LEU 31 2.029 -2.500 -0.642 213 HD11 LEU 31 1HD1 LEU 31 3.532 -4.044 0.497 214 HD12 LEU 31 2HD1 LEU 31 3.825 -4.909 -1.015 215 HD13 LEU 31 3HD1 LEU 31 2.217 -4.914 -0.290 216 HD21 LEU 31 3HD2 LEU 31 4.718 -2.670 -2.050 217 HD22 LEU 31 1HD2 LEU 31 4.415 -1.924 -0.480 218 HD23 LEU 31 2HD2 LEU 31 3.692 -1.239 -1.929 219 H LEU 32 H LEU 32 1.174 -5.269 -4.967 220 HA LEU 32 HA LEU 32 -0.453 -3.599 -6.520 221 HB2 LEU 32 1HB LEU 32 1.427 -5.083 -7.298 222 HB3 LEU 32 2HB LEU 32 0.380 -6.474 -7.081 223 HG LEU 32 HG LEU 32 -1.134 -5.602 -8.852 224 HD11 LEU 32 1HD1 LEU 32 -0.758 -3.215 -8.592 225 HD12 LEU 32 2HD1 LEU 32 -0.448 -3.699 -10.255 226 HD13 LEU 32 3HD1 LEU 32 0.905 -3.380 -9.166 227 HD21 LEU 32 3HD2 LEU 32 0.336 -6.036 -10.778 228 HD22 LEU 32 1HD2 LEU 32 0.652 -7.177 -9.474 229 HD23 LEU 32 2HD2 LEU 32 1.764 -5.834 -9.757 230 H THR 33 H THR 33 -1.108 -6.722 -4.980 231 HA THR 33 HA THR 33 -3.800 -7.070 -5.864 232 HB THR 33 HB THR 33 -2.444 -8.258 -3.388 233 HG1 THR 33 HG1 THR 33 -1.291 -9.246 -4.862 234 HG21 THR 33 3HG2 THR 33 -4.920 -8.551 -3.351 235 HG22 THR 33 1HG2 THR 33 -4.099 -10.091 -3.605 236 HG23 THR 33 2HG2 THR 33 -4.862 -9.264 -4.965 237 H VAL 34 H VAL 34 -2.329 -5.605 -2.964 238 HA VAL 34 HA VAL 34 -4.646 -5.124 -1.434 239 HB VAL 34 HB VAL 34 -1.986 -3.612 -1.520 240 HG11 VAL 34 1HG1 VAL 34 -4.217 -3.322 0.527 241 HG12 VAL 34 2HG1 VAL 34 -3.658 -2.088 -0.602 242 HG13 VAL 34 3HG1 VAL 34 -2.595 -2.642 0.692 243 HG21 VAL 34 3HG2 VAL 34 -3.017 -5.697 0.458 244 HG22 VAL 34 1HG2 VAL 34 -1.460 -4.870 0.554 245 HG23 VAL 34 2HG2 VAL 34 -1.796 -5.964 -0.784 246 H LEU 35 H LEU 35 -2.972 -3.042 -3.784 247 HA LEU 35 HA LEU 35 -4.736 -0.827 -3.649 248 HB2 LEU 35 1HB LEU 35 -2.850 -1.682 -5.870 249 HB3 LEU 35 2HB LEU 35 -3.632 -0.113 -5.765 250 HG LEU 35 HG LEU 35 -1.544 -1.194 -3.836 251 HD11 LEU 35 1HD1 LEU 35 -0.575 -0.576 -6.002 252 HD12 LEU 35 2HD1 LEU 35 -0.071 0.556 -4.750 253 HD13 LEU 35 3HD1 LEU 35 -1.324 1.021 -5.903 254 HD21 LEU 35 3HD2 LEU 35 -2.953 1.500 -3.812 255 HD22 LEU 35 1HD2 LEU 35 -1.594 1.043 -2.781 256 HD23 LEU 35 2HD2 LEU 35 -3.138 0.213 -2.618 257 H SER 36 H SER 36 -4.704 -3.766 -5.580 258 HA SER 36 HA SER 36 -6.629 -3.122 -7.521 259 HB2 SER 36 1HB SER 36 -5.178 -5.109 -7.669 260 HB3 SER 36 2HB SER 36 -5.979 -5.829 -6.278 261 HG SER 36 HG SER 36 -7.706 -5.119 -8.295 262 H VAL 37 H VAL 37 -6.985 -4.465 -4.256 263 HA VAL 37 HA VAL 37 -9.850 -4.830 -4.456 264 HB VAL 37 HB VAL 37 -8.038 -5.011 -1.994 265 HG11 VAL 37 1HG1 VAL 37 -10.882 -6.040 -2.400 266 HG12 VAL 37 2HG1 VAL 37 -10.393 -4.710 -1.350 267 HG13 VAL 37 3HG1 VAL 37 -9.872 -6.352 -0.982 268 HG21 VAL 37 3HG2 VAL 37 -8.084 -7.463 -2.366 269 HG22 VAL 37 1HG2 VAL 37 -7.359 -6.621 -3.737 270 HG23 VAL 37 2HG2 VAL 37 -9.010 -7.232 -3.852 271 H ALA 38 H ALA 38 -7.670 -2.548 -2.815 272 HA ALA 38 HA ALA 38 -9.656 -1.155 -1.325 273 HB1 ALA 38 3HB ALA 38 -6.826 -0.288 -2.016 274 HB2 ALA 38 1HB ALA 38 -7.298 -1.250 -0.613 275 HB3 ALA 38 2HB ALA 38 -7.847 0.421 -0.761 276 H SER 39 H SER 39 -8.004 -0.449 -4.398 277 HA SER 39 HA SER 39 -9.429 2.091 -4.742 278 HB2 SER 39 1HB SER 39 -7.379 0.837 -6.608 279 HB3 SER 39 2HB SER 39 -7.892 2.526 -6.553 280 HG SER 39 HG SER 39 -6.066 1.188 -5.007 281 H GLY 40 H GLY 40 -9.744 -1.200 -5.733 282 HA2 GLY 40 1HA GLY 40 -11.553 -2.206 -6.753 283 HA3 GLY 40 2HA GLY 40 -12.243 -0.623 -7.057 284 H VAL 41 H VAL 41 -9.023 -1.263 -8.158 285 HA VAL 41 HA VAL 41 -9.902 -1.409 -10.978 286 HB VAL 41 HB VAL 41 -7.602 -0.538 -11.500 287 HG11 VAL 41 1HG1 VAL 41 -9.207 1.281 -9.680 288 HG12 VAL 41 2HG1 VAL 41 -9.493 1.023 -11.401 289 HG13 VAL 41 3HG1 VAL 41 -8.004 1.803 -10.866 290 HG21 VAL 41 3HG2 VAL 41 -6.205 0.464 -9.721 291 HG22 VAL 41 1HG2 VAL 41 -6.397 -1.273 -9.479 292 HG23 VAL 41 2HG2 VAL 41 -7.326 -0.138 -8.496 293 HA PRO 42 HA PRO 42 -7.747 -5.472 -11.411 294 HB2 PRO 42 1HB PRO 42 -6.846 -4.307 -14.051 295 HB3 PRO 42 2HB PRO 42 -7.571 -5.889 -13.706 296 HG2 PRO 42 1HG PRO 42 -9.040 -3.940 -14.816 297 HG3 PRO 42 2HG PRO 42 -9.746 -5.019 -13.592 298 HD2 PRO 42 1HD PRO 42 -8.819 -2.166 -13.300 299 HD3 PRO 42 2HD PRO 42 -10.206 -2.986 -12.552 300 H LYS 43 H LYS 43 -5.624 -6.222 -11.237 301 HA LYS 43 HA LYS 43 -3.605 -4.536 -10.197 302 HB2 LYS 43 1HB LYS 43 -3.375 -7.365 -11.322 303 HB3 LYS 43 2HB LYS 43 -2.160 -6.573 -10.318 304 HG2 LYS 43 1HG LYS 43 -3.765 -6.488 -8.432 305 HG3 LYS 43 2HG LYS 43 -4.992 -7.253 -9.442 306 HD2 LYS 43 1HD LYS 43 -3.995 -8.902 -7.934 307 HD3 LYS 43 2HD LYS 43 -3.586 -9.293 -9.604 308 HE2 LYS 43 1HE LYS 43 -1.344 -8.378 -9.304 309 HE3 LYS 43 2HE LYS 43 -1.751 -7.843 -7.670 310 HZ1 LYS 43 3HZ LYS 43 -2.033 -10.131 -7.017 311 HZ2 LYS 43 1HZ LYS 43 -0.497 -9.914 -7.685 312 HZ3 LYS 43 2HZ LYS 43 -1.709 -10.658 -8.588 313 H GLU 44 H GLU 44 -4.381 -5.506 -13.431 314 HA GLU 44 HA GLU 44 -1.818 -5.073 -14.652 315 HB2 GLU 44 1HB GLU 44 -4.583 -5.422 -15.887 316 HB3 GLU 44 2HB GLU 44 -3.092 -5.334 -16.816 317 HG2 GLU 44 1HG GLU 44 -3.727 -7.639 -16.639 318 HG3 GLU 44 2HG GLU 44 -2.286 -7.396 -15.657 319 H GLU 45 H GLU 45 -4.467 -3.001 -13.805 320 HA GLU 45 HA GLU 45 -3.989 -0.866 -15.663 321 HB2 GLU 45 1HB GLU 45 -5.272 -0.752 -12.889 322 HB3 GLU 45 2HB GLU 45 -5.353 0.524 -14.099 323 HG2 GLU 45 1HG GLU 45 -6.581 -2.236 -14.312 324 HG3 GLU 45 2HG GLU 45 -7.438 -0.727 -13.994 325 H ILE 46 H ILE 46 -2.814 -1.780 -12.511 326 HA ILE 46 HA ILE 46 -1.178 0.620 -12.168 327 HB ILE 46 HB ILE 46 -1.502 -1.788 -10.327 328 HG12 ILE 46 1HG1 ILE 46 -2.945 0.905 -10.162 329 HG13 ILE 46 2HG1 ILE 46 -3.680 -0.586 -10.740 330 HG21 ILE 46 1HG2 ILE 46 -0.583 -0.301 -8.565 331 HG22 ILE 46 2HG2 ILE 46 -0.377 0.987 -9.753 332 HG23 ILE 46 3HG2 ILE 46 0.562 -0.501 -9.894 333 HD11 ILE 46 3HD1 ILE 46 -2.627 -0.105 -7.963 334 HD12 ILE 46 1HD1 ILE 46 -3.381 -1.592 -8.546 335 HD13 ILE 46 2HD1 ILE 46 -4.316 -0.099 -8.466 336 H SER 47 H SER 47 0.335 0.351 -13.798 337 HA SER 47 HA SER 47 1.975 -2.095 -13.980 338 HB2 SER 47 1HB SER 47 1.935 0.408 -15.736 339 HB3 SER 47 2HB SER 47 2.725 -1.127 -16.116 340 HG SER 47 HG SER 47 0.328 -1.883 -15.695 341 H ARG 48 H ARG 48 2.196 -0.313 -11.675 342 HA ARG 48 HA ARG 48 3.561 0.743 -10.304 343 HB2 ARG 48 1HB ARG 48 5.679 -0.180 -12.256 344 HB3 ARG 48 2HB ARG 48 6.114 0.993 -11.019 345 HG2 ARG 48 1HG ARG 48 6.660 -1.250 -10.264 346 HG3 ARG 48 2HG ARG 48 5.389 -0.564 -9.257 347 HD2 ARG 48 1HD ARG 48 4.749 -2.809 -9.607 348 HD3 ARG 48 2HD ARG 48 3.731 -1.889 -10.713 349 HE ARG 48 HE ARG 48 5.198 -2.585 -12.531 350 HH11 ARG 48 1HH1 ARG 48 5.552 -4.382 -9.550 351 HH12 ARG 48 2HH1 ARG 48 6.241 -5.766 -10.320 352 HH21 ARG 48 1HH2 ARG 48 6.086 -4.433 -13.526 353 HH22 ARG 48 2HH2 ARG 48 6.557 -5.787 -12.558 354 H ASP 49 H ASP 49 4.307 1.766 -13.670 355 HA ASP 49 HA ASP 49 4.252 4.544 -13.204 356 HB2 ASP 49 1HB ASP 49 5.089 3.689 -15.327 357 HB3 ASP 49 2HB ASP 49 3.555 2.897 -15.675 358 H SER 50 H SER 50 2.605 4.798 -11.643 359 HA SER 50 HA SER 50 -0.039 5.399 -12.619 360 HB2 SER 50 1HB SER 50 0.288 3.194 -10.523 361 HB3 SER 50 2HB SER 50 -1.243 3.920 -11.000 362 HG SER 50 HG SER 50 -0.440 3.153 -13.216 363 H ARG 51 H ARG 51 -1.267 6.581 -11.043 364 HA ARG 51 HA ARG 51 0.435 8.081 -9.130 365 HB2 ARG 51 1HB ARG 51 -2.227 8.801 -10.451 366 HB3 ARG 51 2HB ARG 51 -1.328 9.852 -9.359 367 HG2 ARG 51 1HG ARG 51 -0.262 8.851 -12.019 368 HG3 ARG 51 2HG ARG 51 -1.066 10.404 -11.796 369 HD2 ARG 51 1HD ARG 51 1.489 9.559 -10.378 370 HD3 ARG 51 2HD ARG 51 1.413 10.587 -11.815 371 HE ARG 51 HE ARG 51 -0.240 11.662 -9.794 372 HH11 ARG 51 1HH1 ARG 51 3.195 11.340 -10.556 373 HH12 ARG 51 2HH1 ARG 51 3.634 12.759 -9.661 374 HH21 ARG 51 1HH2 ARG 51 0.386 13.519 -8.649 375 HH22 ARG 51 2HH2 ARG 51 2.058 13.971 -8.575 376 H MET 52 H MET 52 -0.074 8.145 -6.966 377 HA MET 52 HA MET 52 -2.038 6.267 -5.923 378 HB2 MET 52 1HB MET 52 -0.268 8.151 -4.307 379 HB3 MET 52 2HB MET 52 -1.130 6.729 -3.716 380 HG2 MET 52 1HG MET 52 1.239 6.801 -5.573 381 HG3 MET 52 2HG MET 52 1.185 6.170 -3.930 382 HE1 MET 52 3HE MET 52 -1.166 4.200 -3.653 383 HE2 MET 52 1HE MET 52 0.518 3.792 -3.319 384 HE3 MET 52 2HE MET 52 -0.465 2.731 -4.325 385 H GLU 53 H GLU 53 -2.531 9.211 -7.139 386 HA GLU 53 HA GLU 53 -3.882 10.695 -5.172 387 HB2 GLU 53 1HB GLU 53 -4.264 10.705 -8.186 388 HB3 GLU 53 2HB GLU 53 -4.847 11.959 -7.086 389 HG2 GLU 53 1HG GLU 53 -2.516 12.488 -6.444 390 HG3 GLU 53 2HG GLU 53 -1.931 11.211 -7.511 391 H ASP 54 H ASP 54 -4.973 8.137 -7.311 392 HA ASP 54 HA ASP 54 -7.604 8.015 -5.967 393 HB2 ASP 54 1HB ASP 54 -7.583 7.734 -8.428 394 HB3 ASP 54 2HB ASP 54 -6.436 6.403 -8.297 395 H LEU 55 H LEU 55 -4.543 6.280 -6.354 396 HA LEU 55 HA LEU 55 -5.525 3.777 -5.368 397 HB2 LEU 55 1HB LEU 55 -2.658 4.557 -5.962 398 HB3 LEU 55 2HB LEU 55 -3.281 2.921 -5.787 399 HG LEU 55 HG LEU 55 -3.994 4.858 -8.030 400 HD11 LEU 55 1HD1 LEU 55 -2.276 2.366 -8.097 401 HD12 LEU 55 2HD1 LEU 55 -1.703 4.030 -8.222 402 HD13 LEU 55 3HD1 LEU 55 -2.723 3.355 -9.490 403 HD21 LEU 55 3HD2 LEU 55 -5.167 2.956 -9.089 404 HD22 LEU 55 1HD2 LEU 55 -5.912 3.394 -7.553 405 HD23 LEU 55 2HD2 LEU 55 -4.876 1.967 -7.659 406 H ALA 56 H ALA 56 -4.320 6.476 -3.646 407 HA ALA 56 HA ALA 56 -4.324 5.130 -1.122 408 HB1 ALA 56 3HB ALA 56 -2.133 4.308 -1.923 409 HB2 ALA 56 1HB ALA 56 -1.962 5.320 -0.489 410 HB3 ALA 56 2HB ALA 56 -1.564 5.968 -2.085 411 H PHE 57 H PHE 57 -4.970 7.838 -2.678 412 HA PHE 57 HA PHE 57 -4.131 9.631 -0.469 413 HB2 PHE 57 1HB PHE 57 -4.400 10.083 -3.393 414 HB3 PHE 57 2HB PHE 57 -5.063 11.388 -2.428 415 HD1 PHE 57 HD1 PHE 57 -3.338 11.871 -0.263 416 HD2 PHE 57 HD2 PHE 57 -2.244 10.601 -4.198 417 HE1 PHE 57 HE1 PHE 57 -1.135 12.904 0.006 418 HE2 PHE 57 HE2 PHE 57 -0.037 11.634 -3.918 419 HZ PHE 57 HZ PHE 57 0.522 12.791 -1.811 420 H ASP 58 H ASP 58 -6.900 8.220 -1.927 421 HA ASP 58 HA ASP 58 -8.881 9.988 -0.835 422 HB2 ASP 58 1HB ASP 58 -9.484 8.520 -2.683 423 HB3 ASP 58 2HB ASP 58 -9.026 7.086 -1.772 424 H SER 59 H SER 59 -9.873 9.907 1.193 425 HA SER 59 HA SER 59 -8.326 9.172 3.380 426 HB2 SER 59 1HB SER 59 -11.328 9.650 3.319 427 HB3 SER 59 2HB SER 59 -10.288 9.773 4.742 428 HG SER 59 HG SER 59 -9.129 11.425 3.551 429 H LEU 60 H LEU 60 -10.942 7.343 1.838 430 HA LEU 60 HA LEU 60 -11.190 5.339 3.879 431 HB2 LEU 60 1HB LEU 60 -12.060 5.349 0.955 432 HB3 LEU 60 2HB LEU 60 -12.366 4.005 2.044 433 HG LEU 60 HG LEU 60 -13.745 5.545 3.496 434 HD11 LEU 60 1HD1 LEU 60 -14.547 7.689 2.612 435 HD12 LEU 60 2HD1 LEU 60 -13.454 7.546 1.233 436 HD13 LEU 60 3HD1 LEU 60 -12.802 7.717 2.862 437 HD21 LEU 60 3HD2 LEU 60 -15.725 5.550 2.036 438 HD22 LEU 60 1HD2 LEU 60 -14.824 4.044 1.872 439 HD23 LEU 60 2HD2 LEU 60 -14.702 5.285 0.622 440 H VAL 61 H VAL 61 -9.390 5.631 0.844 441 HA VAL 61 HA VAL 61 -8.312 2.979 0.857 442 HB VAL 61 HB VAL 61 -7.139 5.383 -0.651 443 HG11 VAL 61 1HG1 VAL 61 -6.309 3.646 -2.231 444 HG12 VAL 61 2HG1 VAL 61 -6.972 2.376 -1.200 445 HG13 VAL 61 3HG1 VAL 61 -5.666 3.403 -0.606 446 HG21 VAL 61 3HG2 VAL 61 -9.548 5.165 -1.164 447 HG22 VAL 61 1HG2 VAL 61 -9.332 3.458 -1.567 448 HG23 VAL 61 2HG2 VAL 61 -8.570 4.707 -2.556 449 H VAL 62 H VAL 62 -7.141 6.099 2.105 450 HA VAL 62 HA VAL 62 -4.483 5.325 2.759 451 HB VAL 62 HB VAL 62 -6.219 7.417 4.192 452 HG11 VAL 62 1HG1 VAL 62 -3.180 7.120 4.186 453 HG12 VAL 62 2HG1 VAL 62 -4.256 6.807 5.547 454 HG13 VAL 62 3HG1 VAL 62 -4.080 8.448 4.930 455 HG21 VAL 62 3HG2 VAL 62 -6.020 7.912 1.779 456 HG22 VAL 62 1HG2 VAL 62 -4.262 7.847 1.896 457 HG23 VAL 62 2HG2 VAL 62 -5.161 9.104 2.747 458 H SER 63 H SER 63 -7.534 5.300 4.554 459 HA SER 63 HA SER 63 -6.501 4.323 7.022 460 HB2 SER 63 1HB SER 63 -8.643 5.610 6.771 461 HB3 SER 63 2HB SER 63 -9.367 4.208 5.986 462 HG SER 63 HG SER 63 -9.883 3.699 7.967 463 H GLU 64 H GLU 64 -7.893 2.774 4.162 464 HA GLU 64 HA GLU 64 -8.102 0.123 5.257 465 HB2 GLU 64 1HB GLU 64 -9.494 1.008 3.325 466 HB3 GLU 64 2HB GLU 64 -8.050 0.975 2.325 467 HG2 GLU 64 1HG GLU 64 -9.338 -0.974 1.801 468 HG3 GLU 64 2HG GLU 64 -7.913 -1.511 2.690 469 H LEU 65 H LEU 65 -5.691 1.893 3.415 470 HA LEU 65 HA LEU 65 -3.970 -0.316 2.780 471 HB2 LEU 65 1HB LEU 65 -4.034 1.783 1.435 472 HB3 LEU 65 2HB LEU 65 -3.410 2.681 2.808 473 HG LEU 65 HG LEU 65 -1.260 1.411 2.645 474 HD11 LEU 65 1HD1 LEU 65 -2.439 0.166 0.135 475 HD12 LEU 65 2HD1 LEU 65 -2.059 -0.680 1.637 476 HD13 LEU 65 3HD1 LEU 65 -0.763 0.020 0.673 477 HD21 LEU 65 3HD2 LEU 65 -0.430 2.512 0.595 478 HD22 LEU 65 1HD2 LEU 65 -1.477 3.586 1.521 479 HD23 LEU 65 2HD2 LEU 65 -2.088 2.798 0.065 480 H SER 66 H SER 66 -4.017 2.247 5.239 481 HA SER 66 HA SER 66 -1.728 1.561 6.717 482 HB2 SER 66 1HB SER 66 -3.011 3.685 7.011 483 HB3 SER 66 2HB SER 66 -4.332 2.781 7.749 484 HG SER 66 HG SER 66 -2.966 3.717 9.313 485 H LEU 67 H LEU 67 -5.081 0.480 6.946 486 HA LEU 67 HA LEU 67 -4.883 -1.289 9.141 487 HB2 LEU 67 1HB LEU 67 -6.968 -0.265 8.218 488 HB3 LEU 67 2HB LEU 67 -6.841 -1.276 6.798 489 HG LEU 67 HG LEU 67 -7.133 -2.537 9.543 490 HD11 LEU 67 1HD1 LEU 67 -9.570 -2.553 9.310 491 HD12 LEU 67 2HD1 LEU 67 -9.451 -1.584 7.839 492 HD13 LEU 67 3HD1 LEU 67 -8.952 -0.906 9.388 493 HD21 LEU 67 3HD2 LEU 67 -8.011 -3.500 6.793 494 HD22 LEU 67 1HD2 LEU 67 -8.201 -4.384 8.312 495 HD23 LEU 67 2HD2 LEU 67 -6.592 -4.059 7.680 496 H LYS 68 H LYS 68 -4.390 -1.697 5.659 497 HA LYS 68 HA LYS 68 -4.477 -4.555 5.664 498 HB2 LYS 68 1HB LYS 68 -4.884 -2.794 3.686 499 HB3 LYS 68 2HB LYS 68 -3.162 -3.003 3.411 500 HG2 LYS 68 1HG LYS 68 -4.361 -4.502 1.949 501 HG3 LYS 68 2HG LYS 68 -3.543 -5.473 3.175 502 HD2 LYS 68 1HD LYS 68 -5.864 -6.263 2.739 503 HD3 LYS 68 2HD LYS 68 -5.635 -5.754 4.413 504 HE2 LYS 68 1HE LYS 68 -6.683 -3.555 3.858 505 HE3 LYS 68 2HE LYS 68 -6.971 -4.133 2.215 506 HZ1 LYS 68 3HZ LYS 68 -8.450 -5.790 3.058 507 HZ2 LYS 68 1HZ LYS 68 -8.907 -4.305 3.720 508 HZ3 LYS 68 2HZ LYS 68 -8.054 -5.419 4.657 509 H LEU 69 H LEU 69 -1.827 -2.218 5.129 510 HA LEU 69 HA LEU 69 0.312 -4.029 5.018 511 HB2 LEU 69 1HB LEU 69 0.327 -1.141 5.983 512 HB3 LEU 69 2HB LEU 69 1.745 -2.058 5.502 513 HG LEU 69 HG LEU 69 -0.539 -1.268 3.655 514 HD11 LEU 69 1HD1 LEU 69 2.275 -0.144 3.815 515 HD12 LEU 69 2HD1 LEU 69 0.790 0.683 4.292 516 HD13 LEU 69 3HD1 LEU 69 1.064 0.273 2.601 517 HD21 LEU 69 3HD2 LEU 69 0.868 -2.117 1.812 518 HD22 LEU 69 1HD2 LEU 69 0.448 -3.403 2.942 519 HD23 LEU 69 2HD2 LEU 69 2.063 -2.691 2.974 520 H ARG 70 H ARG 70 -1.254 -2.464 7.736 521 HA ARG 70 HA ARG 70 0.423 -3.099 9.876 522 HB2 ARG 70 1HB ARG 70 -1.474 -1.527 9.942 523 HB3 ARG 70 2HB ARG 70 -2.608 -2.856 9.783 524 HG2 ARG 70 1HG ARG 70 -1.977 -3.680 12.009 525 HG3 ARG 70 2HG ARG 70 -0.765 -2.403 12.153 526 HD2 ARG 70 1HD ARG 70 -2.625 -0.714 11.920 527 HD3 ARG 70 2HD ARG 70 -3.778 -2.054 11.992 528 HE ARG 70 HE ARG 70 -2.160 -2.327 14.210 529 HH11 ARG 70 1HH1 ARG 70 -4.419 0.093 13.026 530 HH12 ARG 70 2HH1 ARG 70 -4.777 0.699 14.611 531 HH21 ARG 70 1HH2 ARG 70 -2.620 -1.489 16.273 532 HH22 ARG 70 2HH2 ARG 70 -3.750 -0.187 16.441 533 H LYS 71 H LYS 71 -2.005 -5.089 8.243 534 HA LYS 71 HA LYS 71 -1.716 -7.277 10.191 535 HB2 LYS 71 1HB LYS 71 -3.981 -6.513 9.392 536 HB3 LYS 71 2HB LYS 71 -3.577 -7.068 7.773 537 HG2 LYS 71 1HG LYS 71 -3.520 -8.988 10.120 538 HG3 LYS 71 2HG LYS 71 -5.046 -8.581 9.338 539 HD2 LYS 71 1HD LYS 71 -4.209 -9.454 7.189 540 HD3 LYS 71 2HD LYS 71 -2.638 -9.787 7.915 541 HE2 LYS 71 1HE LYS 71 -5.230 -11.103 8.777 542 HE3 LYS 71 2HE LYS 71 -4.074 -11.811 7.646 543 HZ1 LYS 71 3HZ LYS 71 -2.401 -11.732 9.389 544 HZ2 LYS 71 1HZ LYS 71 -3.737 -12.657 9.859 545 HZ3 LYS 71 2HZ LYS 71 -3.528 -11.095 10.468 546 H GLU 72 H GLU 72 -1.579 -6.917 6.629 547 HA GLU 72 HA GLU 72 -0.639 -9.394 5.896 548 HB2 GLU 72 1HB GLU 72 0.065 -6.797 4.460 549 HB3 GLU 72 2HB GLU 72 0.044 -8.404 3.752 550 HG2 GLU 72 1HG GLU 72 -2.353 -6.816 4.703 551 HG3 GLU 72 2HG GLU 72 -1.889 -7.106 3.031 552 H PHE 73 H PHE 73 1.269 -6.524 6.777 553 HA PHE 73 HA PHE 73 3.799 -8.088 6.572 554 HB2 PHE 73 1HB PHE 73 3.332 -5.121 6.052 555 HB3 PHE 73 2HB PHE 73 4.918 -5.889 6.082 556 HD1 PHE 73 HD2 PHE 73 1.768 -5.526 4.178 557 HD2 PHE 73 HD1 PHE 73 5.658 -7.314 4.242 558 HE1 PHE 73 HE2 PHE 73 1.570 -6.066 1.788 559 HE2 PHE 73 HE1 PHE 73 5.451 -7.846 1.858 560 HZ PHE 73 HZ PHE 73 3.415 -7.221 0.629 561 H GLY 74 H GLY 74 1.836 -6.028 8.594 562 HA2 GLY 74 1HA GLY 74 2.111 -5.556 10.877 563 HA3 GLY 74 2HA GLY 74 3.783 -6.089 10.795 564 H VAL 75 H VAL 75 3.084 -4.055 8.220 565 HA VAL 75 HA VAL 75 4.684 -1.877 9.208 566 HB VAL 75 HB VAL 75 3.153 -2.226 6.576 567 HG11 VAL 75 1HG1 VAL 75 4.532 -0.394 5.659 568 HG12 VAL 75 2HG1 VAL 75 5.229 -0.116 7.258 569 HG13 VAL 75 3HG1 VAL 75 3.510 0.161 6.985 570 HG21 VAL 75 3HG2 VAL 75 6.113 -2.585 7.169 571 HG22 VAL 75 1HG2 VAL 75 5.348 -2.752 5.585 572 HG23 VAL 75 2HG2 VAL 75 4.951 -3.878 6.882 573 H THR 76 H THR 76 3.593 -0.951 10.907 574 HA THR 76 HA THR 76 0.879 0.199 10.488 575 HB THR 76 HB THR 76 0.926 -1.605 12.188 576 HG1 THR 76 HG1 THR 76 -0.083 -0.382 13.839 577 HG21 THR 76 3HG2 THR 76 2.102 -1.301 14.342 578 HG22 THR 76 1HG2 THR 76 2.860 0.169 13.728 579 HG23 THR 76 2HG2 THR 76 3.249 -1.392 13.004 580 H GLY 77 H GLY 77 0.425 2.152 11.794 581 HA2 GLY 77 1HA GLY 77 0.799 4.314 12.413 582 HA3 GLY 77 2HA GLY 77 2.389 3.808 12.964 583 H VAL 78 H VAL 78 1.529 3.325 9.638 584 HA VAL 78 HA VAL 78 3.558 5.289 8.774 585 HB VAL 78 HB VAL 78 3.510 4.051 6.589 586 HG11 VAL 78 1HG1 VAL 78 4.723 2.069 7.370 587 HG12 VAL 78 2HG1 VAL 78 4.082 2.290 8.999 588 HG13 VAL 78 3HG1 VAL 78 5.177 3.491 8.311 589 HG21 VAL 78 3HG2 VAL 78 1.197 3.169 6.665 590 HG22 VAL 78 1HG2 VAL 78 1.625 2.116 8.019 591 HG23 VAL 78 2HG2 VAL 78 2.352 1.860 6.431 592 H ASP 79 H ASP 79 0.551 5.669 9.435 593 HA ASP 79 HA ASP 79 -1.053 6.322 7.318 594 HB2 ASP 79 1HB ASP 79 -1.882 6.294 9.571 595 HB3 ASP 79 2HB ASP 79 -0.756 7.548 10.079 596 H ASP 80 H ASP 80 1.168 8.551 9.008 597 HA ASP 80 HA ASP 80 0.881 10.841 7.423 598 HB2 ASP 80 1HB ASP 80 2.010 11.047 9.516 599 HB3 ASP 80 2HB ASP 80 3.161 9.774 9.129 600 H GLU 81 H GLU 81 3.222 8.206 7.188 601 HA GLU 81 HA GLU 81 4.721 9.142 4.999 602 HB2 GLU 81 1HB GLU 81 4.318 6.308 6.033 603 HB3 GLU 81 2HB GLU 81 5.568 6.783 4.884 604 HG2 GLU 81 1HG GLU 81 6.681 8.157 6.535 605 HG3 GLU 81 2HG GLU 81 5.347 7.958 7.676 606 H LEU 82 H LEU 82 1.710 7.312 5.105 607 HA LEU 82 HA LEU 82 1.712 6.410 2.387 608 HB2 LEU 82 1HB LEU 82 -0.617 6.775 4.309 609 HB3 LEU 82 2HB LEU 82 -0.722 5.974 2.749 610 HG LEU 82 HG LEU 82 0.865 5.005 5.155 611 HD11 LEU 82 1HD1 LEU 82 -1.543 4.688 5.427 612 HD12 LEU 82 2HD1 LEU 82 -0.721 3.142 5.229 613 HD13 LEU 82 3HD1 LEU 82 -1.621 3.840 3.880 614 HD21 LEU 82 3HD2 LEU 82 2.072 4.422 3.100 615 HD22 LEU 82 1HD2 LEU 82 0.613 3.691 2.430 616 HD23 LEU 82 2HD2 LEU 82 1.387 2.983 3.849 617 H ASP 83 H ASP 83 0.461 9.237 4.094 618 HA ASP 83 HA ASP 83 -0.743 10.473 1.785 619 HB2 ASP 83 1HB ASP 83 -1.434 10.979 4.126 620 HB3 ASP 83 2HB ASP 83 0.136 11.716 4.432 621 H LEU 84 H LEU 84 2.507 10.348 3.078 622 HA LEU 84 HA LEU 84 3.550 12.589 1.566 623 HB2 LEU 84 1HB LEU 84 5.002 10.331 2.987 624 HB3 LEU 84 2HB LEU 84 5.790 11.733 2.280 625 HG LEU 84 HG LEU 84 3.860 11.774 4.631 626 HD11 LEU 84 1HD1 LEU 84 6.035 10.850 5.234 627 HD12 LEU 84 2HD1 LEU 84 5.794 12.427 5.979 628 HD13 LEU 84 3HD1 LEU 84 6.846 12.269 4.567 629 HD21 LEU 84 3HD2 LEU 84 3.600 13.821 3.303 630 HD22 LEU 84 1HD2 LEU 84 5.343 14.104 3.364 631 HD23 LEU 84 2HD2 LEU 84 4.379 14.167 4.842 632 H LEU 85 H LEU 85 2.745 9.361 0.779 633 HA LEU 85 HA LEU 85 4.643 8.884 -1.324 634 HB2 LEU 85 1HB LEU 85 1.849 7.721 -1.005 635 HB3 LEU 85 2HB LEU 85 3.115 7.093 -2.053 636 HG LEU 85 HG LEU 85 3.176 7.134 0.982 637 HD11 LEU 85 1HD1 LEU 85 3.004 4.692 0.842 638 HD12 LEU 85 2HD1 LEU 85 2.823 4.804 -0.911 639 HD13 LEU 85 3HD1 LEU 85 1.594 5.494 0.151 640 HD21 LEU 85 3HD2 LEU 85 5.248 5.802 0.814 641 HD22 LEU 85 1HD2 LEU 85 5.447 7.406 0.110 642 HD23 LEU 85 2HD2 LEU 85 5.236 6.002 -0.938 643 H GLU 86 H GLU 86 4.158 8.860 -3.632 644 HA GLU 86 HA GLU 86 1.916 10.558 -4.542 645 HB2 GLU 86 1HB GLU 86 3.869 12.030 -4.487 646 HB3 GLU 86 2HB GLU 86 4.840 10.846 -5.354 647 HG2 GLU 86 1HG GLU 86 3.476 11.135 -7.361 648 HG3 GLU 86 2HG GLU 86 2.412 12.253 -6.508 649 H THR 87 H THR 87 4.484 8.244 -5.392 650 HA THR 87 HA THR 87 2.815 7.193 -7.612 651 HB THR 87 HB THR 87 4.934 6.366 -8.622 652 HG1 THR 87 HG1 THR 87 6.897 7.443 -7.633 653 HG21 THR 87 3HG2 THR 87 5.852 8.555 -9.342 654 HG22 THR 87 1HG2 THR 87 4.965 9.354 -8.043 655 HG23 THR 87 2HG2 THR 87 4.087 8.563 -9.355 656 H VAL 88 H VAL 88 2.922 4.926 -8.004 657 HA VAL 88 HA VAL 88 2.517 3.236 -5.800 658 HB VAL 88 HB VAL 88 3.150 2.597 -8.722 659 HG11 VAL 88 1HG1 VAL 88 2.047 0.695 -6.620 660 HG12 VAL 88 2HG1 VAL 88 3.639 0.602 -7.373 661 HG13 VAL 88 3HG1 VAL 88 2.192 0.353 -8.350 662 HG21 VAL 88 3HG2 VAL 88 1.104 3.922 -8.364 663 HG22 VAL 88 1HG2 VAL 88 0.503 2.710 -7.227 664 HG23 VAL 88 2HG2 VAL 88 0.713 2.300 -8.932 665 H ASP 89 H ASP 89 5.369 3.832 -7.764 666 HA ASP 89 HA ASP 89 7.102 1.859 -6.816 667 HB2 ASP 89 1HB ASP 89 7.733 4.694 -7.754 668 HB3 ASP 89 2HB ASP 89 8.920 3.400 -7.586 669 H GLU 90 H GLU 90 6.250 5.026 -5.438 670 HA GLU 90 HA GLU 90 8.175 5.016 -3.324 671 HB2 GLU 90 1HB GLU 90 5.580 6.587 -3.624 672 HB3 GLU 90 2HB GLU 90 6.735 6.841 -2.320 673 HG2 GLU 90 1HG GLU 90 7.205 7.309 -5.278 674 HG3 GLU 90 2HG GLU 90 7.044 8.535 -4.019 675 H LEU 91 H LEU 91 4.770 3.920 -3.521 676 HA LEU 91 HA LEU 91 4.476 3.151 -0.807 677 HB2 LEU 91 1HB LEU 91 2.536 3.220 -2.293 678 HB3 LEU 91 2HB LEU 91 3.206 1.938 -3.292 679 HG LEU 91 HG LEU 91 2.993 0.348 -1.361 680 HD11 LEU 91 1HD1 LEU 91 3.113 1.904 0.518 681 HD12 LEU 91 2HD1 LEU 91 1.659 0.917 0.618 682 HD13 LEU 91 3HD1 LEU 91 1.549 2.595 0.076 683 HD21 LEU 91 3HD2 LEU 91 0.390 1.676 -2.148 684 HD22 LEU 91 1HD2 LEU 91 0.569 0.054 -1.474 685 HD23 LEU 91 2HD2 LEU 91 1.245 0.427 -3.057 686 H PHE 92 H PHE 92 5.753 1.449 -3.595 687 HA PHE 92 HA PHE 92 6.238 -1.064 -2.427 688 HB2 PHE 92 1HB PHE 92 7.377 0.329 -4.879 689 HB3 PHE 92 2HB PHE 92 7.906 -1.282 -4.400 690 HD1 PHE 92 HD1 PHE 92 4.346 -0.446 -3.858 691 HD2 PHE 92 HD2 PHE 92 7.146 -2.091 -6.643 692 HE1 PHE 92 HE1 PHE 92 2.513 -1.500 -5.076 693 HE2 PHE 92 HE2 PHE 92 5.286 -3.123 -7.868 694 HZ PHE 92 HZ PHE 92 2.972 -2.839 -7.085 695 H GLN 93 H GLN 93 8.224 1.879 -2.674 696 HA GLN 93 HA GLN 93 10.600 0.851 -1.518 697 HB2 GLN 93 1HB GLN 93 9.492 3.684 -1.651 698 HB3 GLN 93 2HB GLN 93 11.084 3.313 -0.998 699 HG2 GLN 93 1HG GLN 93 10.177 2.767 -3.838 700 HG3 GLN 93 2HG GLN 93 11.195 4.110 -3.322 701 HE21 GLN 93 2HE2 GLN 93 11.710 1.917 -5.224 702 HE22 GLN 93 1HE2 GLN 93 13.161 1.150 -4.677 703 H LEU 94 H LEU 94 7.813 2.543 -0.111 704 HA LEU 94 HA LEU 94 8.647 2.908 2.503 705 HB2 LEU 94 1HB LEU 94 6.610 3.885 1.416 706 HB3 LEU 94 2HB LEU 94 5.805 2.337 1.532 707 HG LEU 94 HG LEU 94 6.720 3.847 4.025 708 HD11 LEU 94 1HD1 LEU 94 4.032 4.116 2.646 709 HD12 LEU 94 2HD1 LEU 94 5.277 5.359 2.765 710 HD13 LEU 94 3HD1 LEU 94 4.461 4.795 4.220 711 HD21 LEU 94 3HD2 LEU 94 6.103 1.498 4.439 712 HD22 LEU 94 1HD2 LEU 94 4.534 1.750 3.668 713 HD23 LEU 94 2HD2 LEU 94 4.930 2.582 5.176 714 H VAL 95 H VAL 95 6.619 0.245 1.263 715 HA VAL 95 HA VAL 95 6.530 -1.138 3.755 716 HB VAL 95 HB VAL 95 5.799 -2.184 0.980 717 HG11 VAL 95 1HG1 VAL 95 4.892 -3.156 3.728 718 HG12 VAL 95 2HG1 VAL 95 5.998 -4.001 2.644 719 HG13 VAL 95 3HG1 VAL 95 4.315 -3.768 2.173 720 HG21 VAL 95 3HG2 VAL 95 3.488 -1.461 1.528 721 HG22 VAL 95 1HG2 VAL 95 4.606 -0.098 1.474 722 HG23 VAL 95 2HG2 VAL 95 4.068 -0.736 3.031 723 H GLU 96 H GLU 96 8.592 -1.421 0.872 724 HA GLU 96 HA GLU 96 9.914 -3.848 1.456 725 HB2 GLU 96 1HB GLU 96 10.181 -2.789 -0.713 726 HB3 GLU 96 2HB GLU 96 10.871 -1.344 0.010 727 HG2 GLU 96 1HG GLU 96 12.882 -2.635 0.669 728 HG3 GLU 96 2HG GLU 96 12.179 -4.085 -0.050 729 H LYS 97 H LYS 97 10.636 -0.505 2.452 730 HA LYS 97 HA LYS 97 13.067 -1.081 3.818 731 HB2 LYS 97 1HB LYS 97 11.217 1.332 4.072 732 HB3 LYS 97 2HB LYS 97 12.818 1.229 4.797 733 HG2 LYS 97 1HG LYS 97 12.167 1.253 1.831 734 HG3 LYS 97 2HG LYS 97 12.938 2.542 2.759 735 HD2 LYS 97 1HD LYS 97 14.897 1.111 3.163 736 HD3 LYS 97 2HD LYS 97 14.124 -0.229 2.315 737 HE2 LYS 97 1HE LYS 97 14.160 1.088 0.218 738 HE3 LYS 97 2HE LYS 97 14.956 2.414 1.074 739 HZ1 LYS 97 3HZ LYS 97 16.617 1.142 -0.042 740 HZ2 LYS 97 1HZ LYS 97 16.036 -0.311 0.598 741 HZ3 LYS 97 2HZ LYS 97 16.767 0.824 1.610 742 H HIS 98 H HIS 98 9.718 -0.606 4.958 743 HA HIS 98 HA HIS 98 10.309 -1.029 7.730 744 HB2 HIS 98 1HB HIS 98 7.683 -1.043 6.200 745 HB3 HIS 98 2HB HIS 98 7.771 -1.320 7.937 746 HD1 HIS 98 HD1 HIS 98 7.839 0.723 9.412 747 HD2 HIS 98 HD2 HIS 98 8.537 1.662 5.432 748 HE1 HIS 98 HE1 HIS 98 7.792 3.228 9.283 749 HE2 HIS 98 HE2 HIS 98 8.181 3.756 6.865 750 H ARG 99 H ARG 99 9.600 -3.177 5.076 751 HA ARG 99 HA ARG 99 9.072 -5.583 6.503 752 HB2 ARG 99 1HB ARG 99 8.575 -5.361 4.108 753 HB3 ARG 99 2HB ARG 99 10.270 -5.080 3.741 754 HG2 ARG 99 1HG ARG 99 10.757 -7.435 4.483 755 HG3 ARG 99 2HG ARG 99 9.020 -7.685 4.681 756 HD2 ARG 99 1HD ARG 99 9.811 -8.561 2.508 757 HD3 ARG 99 2HD ARG 99 8.669 -7.233 2.279 758 HE ARG 99 HE ARG 99 10.892 -5.848 2.116 759 HH11 ARG 99 1HH1 ARG 99 10.414 -9.054 0.739 760 HH12 ARG 99 2HH1 ARG 99 11.512 -8.772 -0.569 761 HH21 ARG 99 1HH2 ARG 99 12.319 -5.522 0.390 762 HH22 ARG 99 2HH2 ARG 99 12.578 -6.776 -0.770 763 H ALA 100 H ALA 100 12.042 -4.080 5.257 764 HA ALA 100 HA ALA 100 13.792 -6.115 6.437 765 HB1 ALA 100 3HB ALA 100 15.583 -4.921 5.260 766 HB2 ALA 100 1HB ALA 100 14.453 -3.641 4.804 767 HB3 ALA 100 2HB ALA 100 14.244 -5.274 4.168 768 H ALA 101 H ALA 101 12.238 -3.470 7.625 769 HA ALA 101 HA ALA 101 12.321 -2.176 9.443 770 HB1 ALA 101 3HB ALA 101 14.630 -3.927 10.359 771 HB2 ALA 101 1HB ALA 101 12.918 -4.240 10.646 772 HB3 ALA 101 2HB ALA 101 13.689 -2.830 11.376 773 H GLY 102 H GLY 102 12.896 -0.530 7.904 774 HA2 GLY 102 1HA GLY 102 13.953 1.406 7.335 775 HA3 GLY 102 2HA GLY 102 14.895 1.225 8.799 776 H SER 103 H SER 103 15.136 -1.305 6.409 777 HA SER 103 HA SER 103 17.936 -0.478 5.870 778 HB2 SER 103 1HB SER 103 16.722 -3.281 5.755 779 HB3 SER 103 2HB SER 103 18.428 -2.862 5.592 780 HG SER 103 HG SER 103 16.793 -2.579 7.906 Start of MODEL 4 1 H1 MET 1 1H MET 1 -33.639 -57.494 -48.953 2 H2 MET 1 2H MET 1 -32.744 -56.123 -48.558 3 H3 MET 1 3H MET 1 -32.709 -56.721 -50.136 4 HA MET 1 HA MET 1 -34.079 -54.758 -49.969 5 HB2 MET 1 1HB MET 1 -34.619 -56.460 -51.669 6 HB3 MET 1 2HB MET 1 -35.603 -57.350 -50.512 7 HG2 MET 1 1HG MET 1 -36.964 -56.047 -52.102 8 HG3 MET 1 2HG MET 1 -37.223 -55.525 -50.435 9 HE1 MET 1 3HE MET 1 -37.619 -52.174 -52.465 10 HE2 MET 1 1HE MET 1 -38.408 -53.327 -51.387 11 HE3 MET 1 2HE MET 1 -38.072 -53.769 -53.065 12 H GLY 2 H GLY 2 -35.167 -53.521 -48.577 13 HA2 GLY 2 1HA GLY 2 -37.327 -54.363 -46.928 14 HA3 GLY 2 2HA GLY 2 -35.851 -54.194 -45.978 15 H SER 3 H SER 3 -38.023 -52.610 -45.415 16 HA SER 3 HA SER 3 -37.602 -49.970 -46.661 17 HB2 SER 3 1HB SER 3 -39.715 -49.383 -45.346 18 HB3 SER 3 2HB SER 3 -39.917 -50.644 -46.563 19 HG SER 3 HG SER 3 -40.470 -51.974 -45.043 20 H SER 4 H SER 4 -36.172 -48.639 -45.694 21 HA SER 4 HA SER 4 -35.588 -48.868 -42.804 22 HB2 SER 4 1HB SER 4 -33.673 -49.202 -44.395 23 HB3 SER 4 2HB SER 4 -33.909 -47.560 -44.994 24 HG SER 4 HG SER 4 -32.488 -47.168 -43.460 25 H HIS 5 H HIS 5 -34.822 -46.642 -41.878 26 HA HIS 5 HA HIS 5 -36.246 -44.289 -42.822 27 HB2 HIS 5 1HB HIS 5 -37.651 -43.991 -40.851 28 HB3 HIS 5 2HB HIS 5 -37.998 -45.580 -41.518 29 HD1 HIS 5 HD1 HIS 5 -36.849 -43.873 -38.465 30 HD2 HIS 5 HD2 HIS 5 -36.943 -47.770 -39.908 31 HE1 HIS 5 HE1 HIS 5 -36.403 -45.337 -36.482 32 HE2 HIS 5 HE2 HIS 5 -36.358 -47.679 -37.396 33 H ASP 6 H ASP 6 -35.675 -42.391 -41.562 34 HA ASP 6 HA ASP 6 -33.220 -42.638 -39.910 35 HB2 ASP 6 1HB ASP 6 -32.644 -40.372 -40.585 36 HB3 ASP 6 2HB ASP 6 -32.992 -41.305 -42.033 37 H HIS 7 H HIS 7 -33.187 -40.336 -38.556 38 HA HIS 7 HA HIS 7 -35.645 -39.446 -37.463 39 HB2 HIS 7 1HB HIS 7 -35.407 -40.282 -35.144 40 HB3 HIS 7 2HB HIS 7 -35.613 -41.611 -36.279 41 HD1 HIS 7 HD1 HIS 7 -33.813 -40.866 -33.372 42 HD2 HIS 7 HD2 HIS 7 -32.715 -42.605 -36.975 43 HE1 HIS 7 HE1 HIS 7 -31.711 -42.133 -32.891 44 HE2 HIS 7 HE2 HIS 7 -30.956 -42.975 -35.133 45 H HIS 8 H HIS 8 -34.655 -37.526 -38.160 46 HA HIS 8 HA HIS 8 -32.145 -36.505 -37.352 47 HB2 HIS 8 1HB HIS 8 -34.662 -35.078 -38.295 48 HB3 HIS 8 2HB HIS 8 -33.131 -34.249 -38.025 49 HD1 HIS 8 HD1 HIS 8 -34.999 -36.161 -40.551 50 HD2 HIS 8 HD2 HIS 8 -31.045 -35.076 -39.866 51 HE1 HIS 8 HE1 HIS 8 -33.835 -36.400 -42.758 52 HE2 HIS 8 HE2 HIS 8 -31.504 -35.575 -42.352 53 H HIS 9 H HIS 9 -31.479 -35.667 -35.442 54 HA HIS 9 HA HIS 9 -33.351 -34.289 -33.655 55 HB2 HIS 9 1HB HIS 9 -33.225 -36.600 -32.752 56 HB3 HIS 9 2HB HIS 9 -31.467 -36.490 -32.697 57 HD1 HIS 9 HD1 HIS 9 -30.442 -35.288 -30.675 58 HD2 HIS 9 HD2 HIS 9 -34.578 -34.973 -30.782 59 HE1 HIS 9 HE1 HIS 9 -31.094 -34.318 -28.464 60 HE2 HIS 9 HE2 HIS 9 -33.604 -34.213 -28.523 61 H HIS 10 H HIS 10 -32.532 -32.354 -33.186 62 HA HIS 10 HA HIS 10 -29.598 -31.889 -33.104 63 HB2 HIS 10 1HB HIS 10 -31.929 -29.915 -33.293 64 HB3 HIS 10 2HB HIS 10 -30.241 -29.443 -33.130 65 HD1 HIS 10 HD1 HIS 10 -29.203 -28.844 -35.295 66 HD2 HIS 10 HD2 HIS 10 -32.233 -31.628 -35.798 67 HE1 HIS 10 HE1 HIS 10 -29.436 -29.144 -37.764 68 HE2 HIS 10 HE2 HIS 10 -31.396 -30.679 -38.042 69 H SER 11 H SER 11 -28.761 -30.659 -31.318 70 HA SER 11 HA SER 11 -30.255 -30.354 -28.847 71 HB2 SER 11 1HB SER 11 -28.660 -31.935 -27.596 72 HB3 SER 11 2HB SER 11 -29.806 -32.730 -28.674 73 HG SER 11 HG SER 11 -27.541 -32.118 -30.007 74 H SER 12 H SER 12 -28.898 -28.607 -30.605 75 HA SER 12 HA SER 12 -26.243 -27.956 -29.705 76 HB2 SER 12 1HB SER 12 -28.151 -26.359 -31.468 77 HB3 SER 12 2HB SER 12 -26.402 -26.151 -31.354 78 HG SER 12 HG SER 12 -26.405 -28.506 -32.007 79 H GLY 13 H GLY 13 -25.920 -25.402 -29.335 80 HA2 GLY 13 1HA GLY 13 -26.328 -23.484 -28.080 81 HA3 GLY 13 2HA GLY 13 -27.829 -24.184 -27.486 82 H ARG 14 H ARG 14 -25.029 -26.172 -27.329 83 HA ARG 14 HA ARG 14 -25.086 -26.272 -24.433 84 HB2 ARG 14 1HB ARG 14 -23.385 -27.749 -26.491 85 HB3 ARG 14 2HB ARG 14 -23.361 -28.081 -24.759 86 HG2 ARG 14 1HG ARG 14 -25.739 -28.741 -24.844 87 HG3 ARG 14 2HG ARG 14 -25.779 -28.408 -26.576 88 HD2 ARG 14 1HD ARG 14 -24.180 -30.202 -26.996 89 HD3 ARG 14 2HD ARG 14 -23.979 -30.468 -25.259 90 HE ARG 14 HE ARG 14 -26.664 -30.780 -25.699 91 HH11 ARG 14 1HH1 ARG 14 -23.820 -32.346 -27.041 92 HH12 ARG 14 2HH1 ARG 14 -24.600 -33.887 -27.218 93 HH21 ARG 14 1HH2 ARG 14 -27.657 -32.812 -25.925 94 HH22 ARG 14 2HH2 ARG 14 -26.762 -34.146 -26.572 95 H GLU 15 H GLU 15 -23.791 -25.131 -23.128 96 HA GLU 15 HA GLU 15 -21.137 -24.216 -23.966 97 HB2 GLU 15 1HB GLU 15 -21.619 -21.884 -23.131 98 HB3 GLU 15 2HB GLU 15 -22.491 -22.306 -24.602 99 HG2 GLU 15 1HG GLU 15 -24.545 -22.713 -23.292 100 HG3 GLU 15 2HG GLU 15 -23.679 -22.319 -21.804 101 H ASN 16 H ASN 16 -19.709 -23.976 -22.274 102 HA ASN 16 HA ASN 16 -20.534 -23.954 -19.501 103 HB2 ASN 16 1HB ASN 16 -20.570 -26.412 -20.062 104 HB3 ASN 16 2HB ASN 16 -18.866 -26.319 -20.492 105 HD21 ASN 16 2HD2 ASN 16 -20.427 -24.703 -17.722 106 HD22 ASN 16 1HD2 ASN 16 -19.577 -25.586 -16.508 107 H LEU 17 H LEU 17 -19.485 -21.973 -19.533 108 HA LEU 17 HA LEU 17 -16.652 -21.747 -20.125 109 HB2 LEU 17 1HB LEU 17 -18.775 -19.803 -19.179 110 HB3 LEU 17 2HB LEU 17 -17.084 -19.370 -19.041 111 HG LEU 17 HG LEU 17 -18.070 -18.380 -21.056 112 HD11 LEU 17 1HD1 LEU 17 -16.412 -19.106 -22.725 113 HD12 LEU 17 2HD1 LEU 17 -16.036 -20.527 -21.747 114 HD13 LEU 17 3HD1 LEU 17 -15.691 -18.910 -21.129 115 HD21 LEU 17 3HD2 LEU 17 -19.830 -20.021 -21.537 116 HD22 LEU 17 1HD2 LEU 17 -18.617 -21.206 -22.029 117 HD23 LEU 17 2HD2 LEU 17 -18.841 -19.725 -22.964 118 H TYR 18 H TYR 18 -15.299 -20.559 -18.408 119 HA TYR 18 HA TYR 18 -15.533 -21.625 -15.701 120 HB2 TYR 18 1HB TYR 18 -13.322 -22.842 -15.888 121 HB3 TYR 18 2HB TYR 18 -14.582 -23.557 -16.886 122 HD1 TYR 18 HD2 TYR 18 -14.464 -23.416 -19.377 123 HD2 TYR 18 HD1 TYR 18 -11.368 -21.725 -16.955 124 HE1 TYR 18 HE2 TYR 18 -13.021 -23.209 -21.355 125 HE2 TYR 18 HE1 TYR 18 -9.938 -21.518 -18.938 126 HH TYR 18 HH TYR 18 -9.699 -22.501 -21.155 127 H PHE 19 H PHE 19 -13.719 -20.855 -14.326 128 HA PHE 19 HA PHE 19 -11.847 -18.897 -15.366 129 HB2 PHE 19 1HB PHE 19 -14.019 -17.596 -14.916 130 HB3 PHE 19 2HB PHE 19 -13.805 -17.968 -13.209 131 HD1 PHE 19 HD1 PHE 19 -11.974 -16.412 -16.106 132 HD2 PHE 19 HD2 PHE 19 -12.594 -16.408 -11.869 133 HE1 PHE 19 HE1 PHE 19 -10.532 -14.430 -15.887 134 HE2 PHE 19 HE2 PHE 19 -11.154 -14.426 -11.663 135 HZ PHE 19 HZ PHE 19 -10.120 -13.432 -13.671 136 H GLN 20 H GLN 20 -12.129 -21.544 -13.767 137 HA GLN 20 HA GLN 20 -10.983 -20.960 -11.170 138 HB2 GLN 20 1HB GLN 20 -11.471 -23.620 -12.578 139 HB3 GLN 20 2HB GLN 20 -10.854 -23.466 -10.941 140 HG2 GLN 20 1HG GLN 20 -13.163 -23.975 -10.734 141 HG3 GLN 20 2HG GLN 20 -13.001 -22.268 -10.332 142 HE21 GLN 20 2HE2 GLN 20 -15.208 -21.923 -10.760 143 HE22 GLN 20 1HE2 GLN 20 -15.835 -21.882 -12.373 144 H GLY 21 H GLY 21 -9.080 -19.865 -11.743 145 HA2 GLY 21 1HA GLY 21 -6.720 -21.388 -11.832 146 HA3 GLY 21 2HA GLY 21 -7.056 -20.817 -13.461 147 H HIS 22 H HIS 22 -6.466 -19.805 -10.126 148 HA HIS 22 HA HIS 22 -4.929 -17.519 -10.970 149 HB2 HIS 22 1HB HIS 22 -6.254 -15.799 -9.735 150 HB3 HIS 22 2HB HIS 22 -7.148 -16.475 -11.088 151 HD1 HIS 22 HD1 HIS 22 -7.462 -15.738 -7.544 152 HD2 HIS 22 HD2 HIS 22 -9.186 -18.444 -10.186 153 HE1 HIS 22 HE1 HIS 22 -9.529 -16.571 -6.405 154 HE2 HIS 22 HE2 HIS 22 -10.426 -18.356 -7.930 155 H MET 23 H MET 23 -3.346 -17.115 -9.515 156 HA MET 23 HA MET 23 -3.613 -17.834 -6.681 157 HB2 MET 23 1HB MET 23 -2.622 -19.855 -7.785 158 HB3 MET 23 2HB MET 23 -1.313 -18.865 -8.412 159 HG2 MET 23 1HG MET 23 -0.538 -20.103 -6.481 160 HG3 MET 23 2HG MET 23 -0.603 -18.386 -6.069 161 HE1 MET 23 3HE MET 23 -0.402 -20.776 -3.903 162 HE2 MET 23 1HE MET 23 -1.560 -20.230 -2.690 163 HE3 MET 23 2HE MET 23 -0.454 -19.077 -3.433 164 HA PRO 24 HA PRO 24 -1.336 -13.819 -7.096 165 HB2 PRO 24 1HB PRO 24 -3.057 -12.837 -4.920 166 HB3 PRO 24 2HB PRO 24 -2.934 -12.238 -6.576 167 HG2 PRO 24 1HG PRO 24 -5.155 -13.523 -5.625 168 HG3 PRO 24 2HG PRO 24 -4.666 -13.572 -7.331 169 HD2 PRO 24 1HD PRO 24 -4.207 -15.638 -5.171 170 HD3 PRO 24 2HD PRO 24 -4.755 -15.867 -6.852 171 H ASN 25 H ASN 25 0.466 -14.999 -6.247 172 HA ASN 25 HA ASN 25 0.835 -14.830 -3.310 173 HB2 ASN 25 1HB ASN 25 0.129 -17.171 -3.856 174 HB3 ASN 25 2HB ASN 25 1.483 -17.318 -4.967 175 HD21 ASN 25 2HD2 ASN 25 3.590 -17.567 -4.121 176 HD22 ASN 25 1HD2 ASN 25 3.870 -17.960 -2.460 177 H ASP 26 H ASP 26 2.130 -13.038 -3.701 178 HA ASP 26 HA ASP 26 4.917 -13.550 -3.846 179 HB2 ASP 26 1HB ASP 26 4.545 -13.563 -6.292 180 HB3 ASP 26 2HB ASP 26 3.699 -12.032 -6.205 181 H MET 27 H MET 27 6.139 -11.607 -3.291 182 HA MET 27 HA MET 27 5.025 -9.946 -1.345 183 HB2 MET 27 1HB MET 27 7.403 -10.385 -1.345 184 HB3 MET 27 2HB MET 27 7.593 -9.772 -2.980 185 HG2 MET 27 1HG MET 27 8.541 -8.213 -1.378 186 HG3 MET 27 2HG MET 27 7.146 -7.489 -2.181 187 HE1 MET 27 3HE MET 27 6.880 -5.565 -0.409 188 HE2 MET 27 1HE MET 27 8.351 -6.145 0.380 189 HE3 MET 27 2HE MET 27 6.900 -5.839 1.334 190 H GLU 28 H GLU 28 6.162 -8.984 -4.591 191 HA GLU 28 HA GLU 28 5.188 -6.313 -4.484 192 HB2 GLU 28 1HB GLU 28 6.022 -8.003 -6.881 193 HB3 GLU 28 2HB GLU 28 5.825 -6.247 -6.894 194 HG2 GLU 28 1HG GLU 28 7.656 -5.995 -5.285 195 HG3 GLU 28 2HG GLU 28 7.809 -7.745 -5.148 196 H ASP 29 H ASP 29 3.908 -9.312 -5.774 197 HA ASP 29 HA ASP 29 1.599 -8.539 -7.117 198 HB2 ASP 29 1HB ASP 29 2.369 -10.866 -7.010 199 HB3 ASP 29 2HB ASP 29 2.112 -10.922 -5.273 200 H HIS 30 H HIS 30 2.089 -9.027 -3.619 201 HA HIS 30 HA HIS 30 -0.651 -8.542 -2.943 202 HB2 HIS 30 1HB HIS 30 1.828 -9.076 -1.319 203 HB3 HIS 30 2HB HIS 30 0.402 -8.444 -0.505 204 HD1 HIS 30 HD1 HIS 30 -0.598 -10.376 0.668 205 HD2 HIS 30 HD2 HIS 30 0.511 -11.359 -3.213 206 HE1 HIS 30 HE1 HIS 30 -1.407 -12.718 0.309 207 HE2 HIS 30 HE2 HIS 30 -0.788 -13.267 -2.073 208 H LEU 31 H LEU 31 2.212 -6.418 -3.096 209 HA LEU 31 HA LEU 31 1.006 -4.132 -1.895 210 HB2 LEU 31 1HB LEU 31 3.064 -4.353 -4.129 211 HB3 LEU 31 2HB LEU 31 2.437 -2.791 -3.643 212 HG LEU 31 HG LEU 31 4.519 -2.996 -2.542 213 HD11 LEU 31 1HD1 LEU 31 2.757 -2.111 -1.093 214 HD12 LEU 31 2HD1 LEU 31 3.997 -2.945 -0.166 215 HD13 LEU 31 3HD1 LEU 31 2.443 -3.729 -0.458 216 HD21 LEU 31 3HD2 LEU 31 4.929 -5.376 -2.842 217 HD22 LEU 31 1HD2 LEU 31 3.742 -5.769 -1.595 218 HD23 LEU 31 2HD2 LEU 31 5.226 -4.911 -1.170 219 H LEU 32 H LEU 32 0.900 -5.365 -5.213 220 HA LEU 32 HA LEU 32 -0.846 -3.420 -6.332 221 HB2 LEU 32 1HB LEU 32 0.077 -6.181 -7.124 222 HB3 LEU 32 2HB LEU 32 -1.246 -5.455 -8.016 223 HG LEU 32 HG LEU 32 0.145 -3.692 -8.868 224 HD11 LEU 32 1HD1 LEU 32 1.451 -3.112 -6.885 225 HD12 LEU 32 2HD1 LEU 32 2.506 -3.353 -8.274 226 HD13 LEU 32 3HD1 LEU 32 2.381 -4.604 -7.036 227 HD21 LEU 32 3HD2 LEU 32 0.365 -5.851 -10.026 228 HD22 LEU 32 1HD2 LEU 32 1.724 -6.286 -8.984 229 HD23 LEU 32 2HD2 LEU 32 1.866 -4.933 -10.110 230 H THR 33 H THR 33 -1.461 -6.473 -4.645 231 HA THR 33 HA THR 33 -4.218 -6.735 -5.272 232 HB THR 33 HB THR 33 -2.684 -7.944 -2.924 233 HG1 THR 33 HG1 THR 33 -1.920 -9.315 -4.353 234 HG21 THR 33 3HG2 THR 33 -5.149 -8.075 -2.590 235 HG22 THR 33 1HG2 THR 33 -4.460 -9.671 -2.895 236 HG23 THR 33 2HG2 THR 33 -5.322 -8.820 -4.179 237 H VAL 34 H VAL 34 -2.469 -5.320 -2.506 238 HA VAL 34 HA VAL 34 -4.692 -4.640 -0.910 239 HB VAL 34 HB VAL 34 -1.911 -3.377 -1.070 240 HG11 VAL 34 1HG1 VAL 34 -3.437 -1.690 -0.155 241 HG12 VAL 34 2HG1 VAL 34 -2.378 -2.298 1.116 242 HG13 VAL 34 3HG1 VAL 34 -4.055 -2.848 1.028 243 HG21 VAL 34 3HG2 VAL 34 -1.959 -5.722 -0.283 244 HG22 VAL 34 1HG2 VAL 34 -3.107 -5.289 0.985 245 HG23 VAL 34 2HG2 VAL 34 -1.468 -4.631 1.010 246 H LEU 35 H LEU 35 -2.913 -2.737 -3.357 247 HA LEU 35 HA LEU 35 -4.426 -0.349 -3.080 248 HB2 LEU 35 1HB LEU 35 -2.698 -1.341 -5.367 249 HB3 LEU 35 2HB LEU 35 -3.377 0.276 -5.284 250 HG LEU 35 HG LEU 35 -1.333 -0.889 -3.351 251 HD11 LEU 35 1HD1 LEU 35 -1.017 1.252 -5.482 252 HD12 LEU 35 2HD1 LEU 35 -0.361 -0.385 -5.544 253 HD13 LEU 35 3HD1 LEU 35 0.225 0.750 -4.330 254 HD21 LEU 35 3HD2 LEU 35 -2.820 0.664 -2.157 255 HD22 LEU 35 1HD2 LEU 35 -2.551 1.903 -3.387 256 HD23 LEU 35 2HD2 LEU 35 -1.222 1.375 -2.355 257 H SER 36 H SER 36 -4.792 -3.160 -5.238 258 HA SER 36 HA SER 36 -6.555 -1.984 -7.103 259 HB2 SER 36 1HB SER 36 -7.029 -4.346 -7.810 260 HB3 SER 36 2HB SER 36 -5.310 -3.983 -7.703 261 HG SER 36 HG SER 36 -5.118 -5.425 -6.195 262 H VAL 37 H VAL 37 -7.104 -4.001 -4.278 263 HA VAL 37 HA VAL 37 -9.958 -4.053 -4.445 264 HB VAL 37 HB VAL 37 -8.102 -4.666 -2.089 265 HG11 VAL 37 1HG1 VAL 37 -11.047 -5.379 -2.438 266 HG12 VAL 37 2HG1 VAL 37 -10.378 -4.239 -1.267 267 HG13 VAL 37 3HG1 VAL 37 -9.999 -5.954 -1.134 268 HG21 VAL 37 3HG2 VAL 37 -7.663 -6.111 -4.039 269 HG22 VAL 37 1HG2 VAL 37 -9.371 -6.548 -4.130 270 HG23 VAL 37 2HG2 VAL 37 -8.403 -7.042 -2.739 271 H ALA 38 H ALA 38 -7.598 -1.892 -2.966 272 HA ALA 38 HA ALA 38 -9.442 -0.426 -1.305 273 HB1 ALA 38 3HB ALA 38 -7.568 1.112 -0.940 274 HB2 ALA 38 1HB ALA 38 -6.666 0.352 -2.251 275 HB3 ALA 38 2HB ALA 38 -7.035 -0.563 -0.789 276 H SER 39 H SER 39 -8.251 -0.031 -4.628 277 HA SER 39 HA SER 39 -9.394 2.670 -4.862 278 HB2 SER 39 1HB SER 39 -8.132 2.776 -7.002 279 HB3 SER 39 2HB SER 39 -7.081 2.362 -5.648 280 HG SER 39 HG SER 39 -6.612 0.573 -6.621 281 H GLY 40 H GLY 40 -9.341 -0.313 -6.846 282 HA2 GLY 40 1HA GLY 40 -11.760 -1.116 -7.320 283 HA3 GLY 40 2HA GLY 40 -11.902 0.451 -8.108 284 H VAL 41 H VAL 41 -9.072 0.397 -9.067 285 HA VAL 41 HA VAL 41 -9.501 -0.966 -11.552 286 HB VAL 41 HB VAL 41 -7.212 -0.201 -12.142 287 HG11 VAL 41 1HG1 VAL 41 -7.640 2.218 -12.097 288 HG12 VAL 41 2HG1 VAL 41 -8.887 1.986 -10.870 289 HG13 VAL 41 3HG1 VAL 41 -9.104 1.318 -12.489 290 HG21 VAL 41 3HG2 VAL 41 -6.070 -0.420 -9.974 291 HG22 VAL 41 1HG2 VAL 41 -7.050 0.880 -9.295 292 HG23 VAL 41 2HG2 VAL 41 -5.891 1.224 -10.581 293 HA PRO 42 HA PRO 42 -7.814 -5.010 -10.411 294 HB2 PRO 42 1HB PRO 42 -6.772 -5.761 -12.913 295 HB3 PRO 42 2HB PRO 42 -8.451 -5.973 -12.410 296 HG2 PRO 42 1HG PRO 42 -7.239 -3.802 -14.087 297 HG3 PRO 42 2HG PRO 42 -8.799 -4.629 -14.275 298 HD2 PRO 42 1HD PRO 42 -8.633 -2.145 -13.225 299 HD3 PRO 42 2HD PRO 42 -9.832 -3.320 -12.639 300 H LYS 43 H LYS 43 -5.865 -5.988 -9.949 301 HA LYS 43 HA LYS 43 -3.619 -4.390 -9.391 302 HB2 LYS 43 1HB LYS 43 -2.533 -6.584 -8.773 303 HB3 LYS 43 2HB LYS 43 -4.111 -6.317 -8.044 304 HG2 LYS 43 1HG LYS 43 -5.103 -7.752 -9.898 305 HG3 LYS 43 2HG LYS 43 -3.450 -8.168 -10.349 306 HD2 LYS 43 1HD LYS 43 -4.728 -8.698 -7.635 307 HD3 LYS 43 2HD LYS 43 -4.476 -9.906 -8.894 308 HE2 LYS 43 1HE LYS 43 -2.292 -8.378 -7.438 309 HE3 LYS 43 2HE LYS 43 -2.756 -10.054 -7.142 310 HZ1 LYS 43 3HZ LYS 43 -2.105 -10.562 -9.420 311 HZ2 LYS 43 1HZ LYS 43 -0.830 -9.955 -8.511 312 HZ3 LYS 43 2HZ LYS 43 -1.591 -8.971 -9.636 313 H GLU 44 H GLU 44 -4.452 -6.093 -12.268 314 HA GLU 44 HA GLU 44 -1.922 -6.303 -13.536 315 HB2 GLU 44 1HB GLU 44 -4.679 -5.960 -14.785 316 HB3 GLU 44 2HB GLU 44 -3.235 -6.519 -15.628 317 HG2 GLU 44 1HG GLU 44 -3.170 -8.534 -14.191 318 HG3 GLU 44 2HG GLU 44 -4.605 -7.969 -13.334 319 H GLU 45 H GLU 45 -4.300 -3.696 -13.317 320 HA GLU 45 HA GLU 45 -3.039 -1.910 -15.189 321 HB2 GLU 45 1HB GLU 45 -5.188 -1.424 -13.082 322 HB3 GLU 45 2HB GLU 45 -4.681 -0.221 -14.265 323 HG2 GLU 45 1HG GLU 45 -5.936 -2.905 -14.910 324 HG3 GLU 45 2HG GLU 45 -6.781 -1.357 -14.895 325 H ILE 46 H ILE 46 -2.260 -2.805 -12.033 326 HA ILE 46 HA ILE 46 -1.143 -0.192 -11.273 327 HB ILE 46 HB ILE 46 -1.324 -2.736 -9.600 328 HG12 ILE 46 1HG1 ILE 46 -3.255 -0.362 -9.744 329 HG13 ILE 46 2HG1 ILE 46 -3.605 -2.014 -10.233 330 HG21 ILE 46 1HG2 ILE 46 -0.819 0.162 -8.764 331 HG22 ILE 46 2HG2 ILE 46 0.381 -1.130 -8.791 332 HG23 ILE 46 3HG2 ILE 46 -0.969 -1.212 -7.661 333 HD11 ILE 46 3HD1 ILE 46 -4.636 -1.496 -8.135 334 HD12 ILE 46 1HD1 ILE 46 -3.084 -1.047 -7.436 335 HD13 ILE 46 2HD1 ILE 46 -3.393 -2.725 -7.897 336 H SER 47 H SER 47 0.879 0.180 -11.680 337 HA SER 47 HA SER 47 2.999 -1.818 -11.316 338 HB2 SER 47 1HB SER 47 4.224 -0.858 -13.259 339 HB3 SER 47 2HB SER 47 2.665 -1.489 -13.787 340 HG SER 47 HG SER 47 2.218 0.430 -14.473 341 H ARG 48 H ARG 48 5.163 -0.433 -11.280 342 HA ARG 48 HA ARG 48 5.219 1.185 -9.045 343 HB2 ARG 48 1HB ARG 48 7.503 2.003 -9.978 344 HB3 ARG 48 2HB ARG 48 7.304 0.293 -9.628 345 HG2 ARG 48 1HG ARG 48 7.239 -0.301 -11.904 346 HG3 ARG 48 2HG ARG 48 6.895 1.352 -12.425 347 HD2 ARG 48 1HD ARG 48 9.522 0.490 -11.152 348 HD3 ARG 48 2HD ARG 48 9.252 0.595 -12.898 349 HE ARG 48 HE ARG 48 8.516 3.025 -12.176 350 HH11 ARG 48 1HH1 ARG 48 11.339 1.305 -11.041 351 HH12 ARG 48 2HH1 ARG 48 12.308 2.738 -10.964 352 HH21 ARG 48 1HH2 ARG 48 9.750 4.863 -12.060 353 HH22 ARG 48 2HH2 ARG 48 11.408 4.775 -11.533 354 H ASP 49 H ASP 49 5.302 2.436 -12.465 355 HA ASP 49 HA ASP 49 4.959 5.183 -11.429 356 HB2 ASP 49 1HB ASP 49 5.629 4.224 -14.240 357 HB3 ASP 49 2HB ASP 49 5.505 5.913 -13.759 358 H SER 50 H SER 50 2.783 2.954 -11.804 359 HA SER 50 HA SER 50 0.828 4.084 -13.558 360 HB2 SER 50 1HB SER 50 0.782 1.717 -12.792 361 HB3 SER 50 2HB SER 50 0.418 2.260 -11.157 362 HG SER 50 HG SER 50 -1.244 1.849 -13.226 363 H ARG 51 H ARG 51 1.998 5.027 -10.507 364 HA ARG 51 HA ARG 51 1.666 6.810 -9.196 365 HB2 ARG 51 1HB ARG 51 -0.500 7.690 -11.161 366 HB3 ARG 51 2HB ARG 51 0.235 8.703 -9.919 367 HG2 ARG 51 1HG ARG 51 1.672 7.512 -12.323 368 HG3 ARG 51 2HG ARG 51 1.180 9.200 -12.143 369 HD2 ARG 51 1HD ARG 51 2.740 9.541 -10.347 370 HD3 ARG 51 2HD ARG 51 3.088 7.818 -10.224 371 HE ARG 51 HE ARG 51 3.798 8.537 -12.790 372 HH11 ARG 51 1HH1 ARG 51 4.765 9.600 -9.580 373 HH12 ARG 51 2HH1 ARG 51 6.407 9.897 -10.037 374 HH21 ARG 51 1HH2 ARG 51 5.986 8.917 -13.367 375 HH22 ARG 51 2HH2 ARG 51 7.097 9.523 -12.180 376 H MET 52 H MET 52 -0.278 8.038 -7.965 377 HA MET 52 HA MET 52 -2.157 5.963 -6.964 378 HB2 MET 52 1HB MET 52 -0.215 7.696 -5.400 379 HB3 MET 52 2HB MET 52 -1.628 6.988 -4.632 380 HG2 MET 52 1HG MET 52 -0.821 4.745 -5.202 381 HG3 MET 52 2HG MET 52 0.611 5.449 -5.963 382 HE1 MET 52 3HE MET 52 1.393 3.722 -2.331 383 HE2 MET 52 1HE MET 52 1.536 3.439 -4.067 384 HE3 MET 52 2HE MET 52 -0.047 3.380 -3.287 385 H GLU 53 H GLU 53 -2.576 8.238 -8.754 386 HA GLU 53 HA GLU 53 -3.724 10.497 -7.552 387 HB2 GLU 53 1HB GLU 53 -4.448 9.155 -10.195 388 HB3 GLU 53 2HB GLU 53 -4.891 10.804 -9.751 389 HG2 GLU 53 1HG GLU 53 -2.580 11.516 -9.763 390 HG3 GLU 53 2HG GLU 53 -2.008 9.856 -9.935 391 H ASP 54 H ASP 54 -5.151 7.407 -8.478 392 HA ASP 54 HA ASP 54 -7.543 7.927 -6.787 393 HB2 ASP 54 1HB ASP 54 -8.130 7.627 -9.150 394 HB3 ASP 54 2HB ASP 54 -7.184 6.145 -9.247 395 H LEU 55 H LEU 55 -4.716 6.012 -7.238 396 HA LEU 55 HA LEU 55 -5.753 3.510 -6.268 397 HB2 LEU 55 1HB LEU 55 -2.904 4.288 -6.960 398 HB3 LEU 55 2HB LEU 55 -3.442 2.664 -6.555 399 HG LEU 55 HG LEU 55 -5.099 2.929 -8.574 400 HD11 LEU 55 1HD1 LEU 55 -3.100 5.075 -9.349 401 HD12 LEU 55 2HD1 LEU 55 -4.808 5.318 -8.986 402 HD13 LEU 55 3HD1 LEU 55 -4.340 4.389 -10.406 403 HD21 LEU 55 3HD2 LEU 55 -3.441 2.061 -10.146 404 HD22 LEU 55 1HD2 LEU 55 -3.254 1.347 -8.548 405 HD23 LEU 55 2HD2 LEU 55 -2.131 2.600 -9.087 406 H ALA 56 H ALA 56 -3.912 6.142 -4.858 407 HA ALA 56 HA ALA 56 -4.598 5.341 -2.215 408 HB1 ALA 56 3HB ALA 56 -2.683 3.803 -2.502 409 HB2 ALA 56 1HB ALA 56 -2.358 5.011 -1.257 410 HB3 ALA 56 2HB ALA 56 -1.633 5.171 -2.858 411 H PHE 57 H PHE 57 -5.503 7.373 -2.199 412 HA PHE 57 HA PHE 57 -3.804 9.480 -1.249 413 HB2 PHE 57 1HB PHE 57 -3.617 9.879 -3.714 414 HB3 PHE 57 2HB PHE 57 -5.370 9.969 -3.834 415 HD1 PHE 57 HD2 PHE 57 -2.659 11.542 -1.738 416 HD2 PHE 57 HD1 PHE 57 -6.218 12.161 -4.034 417 HE1 PHE 57 HE2 PHE 57 -2.551 13.952 -1.269 418 HE2 PHE 57 HE1 PHE 57 -6.100 14.569 -3.555 419 HZ PHE 57 HZ PHE 57 -4.267 15.470 -2.173 420 H ASP 58 H ASP 58 -6.963 8.315 -2.185 421 HA ASP 58 HA ASP 58 -8.617 10.173 -0.865 422 HB2 ASP 58 1HB ASP 58 -9.488 8.689 -2.578 423 HB3 ASP 58 2HB ASP 58 -9.042 7.268 -1.647 424 H SER 59 H SER 59 -9.688 10.080 1.146 425 HA SER 59 HA SER 59 -8.149 9.474 3.375 426 HB2 SER 59 1HB SER 59 -11.170 9.818 3.275 427 HB3 SER 59 2HB SER 59 -10.145 10.034 4.696 428 HG SER 59 HG SER 59 -10.781 11.834 2.884 429 H LEU 60 H LEU 60 -10.868 7.617 1.998 430 HA LEU 60 HA LEU 60 -10.921 5.581 4.000 431 HB2 LEU 60 1HB LEU 60 -12.871 6.086 2.572 432 HB3 LEU 60 2HB LEU 60 -11.991 5.545 1.150 433 HG LEU 60 HG LEU 60 -11.925 3.223 2.101 434 HD11 LEU 60 1HD1 LEU 60 -13.717 4.315 4.301 435 HD12 LEU 60 2HD1 LEU 60 -12.065 3.727 4.499 436 HD13 LEU 60 3HD1 LEU 60 -13.341 2.613 4.021 437 HD21 LEU 60 3HD2 LEU 60 -13.678 3.835 0.507 438 HD22 LEU 60 1HD2 LEU 60 -14.713 4.395 1.824 439 HD23 LEU 60 2HD2 LEU 60 -14.292 2.686 1.692 440 H VAL 61 H VAL 61 -9.310 5.896 0.869 441 HA VAL 61 HA VAL 61 -8.390 3.218 0.658 442 HB VAL 61 HB VAL 61 -7.199 5.720 -0.647 443 HG11 VAL 61 1HG1 VAL 61 -5.571 3.865 -0.644 444 HG12 VAL 61 2HG1 VAL 61 -6.174 4.136 -2.278 445 HG13 VAL 61 3HG1 VAL 61 -6.772 2.772 -1.332 446 HG21 VAL 61 3HG2 VAL 61 -8.498 5.029 -2.647 447 HG22 VAL 61 1HG2 VAL 61 -9.561 5.353 -1.275 448 HG23 VAL 61 2HG2 VAL 61 -9.202 3.689 -1.739 449 H VAL 62 H VAL 62 -6.794 6.183 1.902 450 HA VAL 62 HA VAL 62 -4.244 4.983 2.368 451 HB VAL 62 HB VAL 62 -5.420 7.600 3.427 452 HG11 VAL 62 1HG1 VAL 62 -3.626 6.888 4.941 453 HG12 VAL 62 2HG1 VAL 62 -3.080 8.265 3.988 454 HG13 VAL 62 3HG1 VAL 62 -2.531 6.636 3.582 455 HG21 VAL 62 3HG2 VAL 62 -3.997 8.661 1.684 456 HG22 VAL 62 1HG2 VAL 62 -5.163 7.542 0.976 457 HG23 VAL 62 2HG2 VAL 62 -3.472 7.066 1.136 458 H SER 63 H SER 63 -7.054 5.637 4.480 459 HA SER 63 HA SER 63 -5.928 4.744 6.915 460 HB2 SER 63 1HB SER 63 -8.297 4.397 7.665 461 HB3 SER 63 2HB SER 63 -8.044 5.975 6.917 462 HG SER 63 HG SER 63 -9.108 5.300 5.120 463 H GLU 64 H GLU 64 -7.999 3.000 4.563 464 HA GLU 64 HA GLU 64 -7.811 0.440 5.712 465 HB2 GLU 64 1HB GLU 64 -9.536 1.127 4.036 466 HB3 GLU 64 2HB GLU 64 -8.296 1.143 2.790 467 HG2 GLU 64 1HG GLU 64 -7.923 -1.309 3.182 468 HG3 GLU 64 2HG GLU 64 -9.256 -1.295 4.333 469 H LEU 65 H LEU 65 -5.618 2.159 3.624 470 HA LEU 65 HA LEU 65 -4.088 0.024 2.576 471 HB2 LEU 65 1HB LEU 65 -4.080 2.318 1.638 472 HB3 LEU 65 2HB LEU 65 -3.321 2.925 3.095 473 HG LEU 65 HG LEU 65 -1.239 1.714 2.558 474 HD11 LEU 65 1HD1 LEU 65 -2.118 -0.246 1.419 475 HD12 LEU 65 2HD1 LEU 65 -0.931 0.564 0.404 476 HD13 LEU 65 3HD1 LEU 65 -2.652 0.746 0.057 477 HD21 LEU 65 3HD2 LEU 65 -0.547 3.012 0.576 478 HD22 LEU 65 1HD2 LEU 65 -1.498 3.999 1.681 479 HD23 LEU 65 2HD2 LEU 65 -2.235 3.372 0.205 480 H SER 66 H SER 66 -3.586 2.145 5.434 481 HA SER 66 HA SER 66 -1.259 0.779 6.395 482 HB2 SER 66 1HB SER 66 -1.607 2.061 8.491 483 HB3 SER 66 2HB SER 66 -1.734 3.101 7.075 484 HG SER 66 HG SER 66 -3.944 3.139 7.315 485 H LEU 67 H LEU 67 -4.728 0.382 6.969 486 HA LEU 67 HA LEU 67 -4.606 -1.466 9.142 487 HB2 LEU 67 1HB LEU 67 -6.808 -1.126 7.066 488 HB3 LEU 67 2HB LEU 67 -6.971 -1.965 8.601 489 HG LEU 67 HG LEU 67 -6.487 1.016 8.266 490 HD11 LEU 67 1HD1 LEU 67 -8.784 1.319 9.054 491 HD12 LEU 67 2HD1 LEU 67 -8.999 -0.431 9.139 492 HD13 LEU 67 3HD1 LEU 67 -8.747 0.351 7.578 493 HD21 LEU 67 3HD2 LEU 67 -5.431 0.227 10.335 494 HD22 LEU 67 1HD2 LEU 67 -6.938 -0.553 10.827 495 HD23 LEU 67 2HD2 LEU 67 -6.849 1.204 10.700 496 H LYS 68 H LYS 68 -4.439 -1.845 5.664 497 HA LYS 68 HA LYS 68 -4.911 -4.723 5.719 498 HB2 LYS 68 1HB LYS 68 -5.737 -3.054 3.898 499 HB3 LYS 68 2HB LYS 68 -4.097 -3.130 3.260 500 HG2 LYS 68 1HG LYS 68 -4.313 -5.506 2.812 501 HG3 LYS 68 2HG LYS 68 -5.848 -5.587 3.678 502 HD2 LYS 68 1HD LYS 68 -5.337 -4.109 1.062 503 HD3 LYS 68 2HD LYS 68 -6.217 -5.626 1.242 504 HE2 LYS 68 1HE LYS 68 -7.968 -4.486 2.516 505 HE3 LYS 68 2HE LYS 68 -7.073 -2.968 2.451 506 HZ1 LYS 68 3HZ LYS 68 -8.180 -4.427 0.107 507 HZ2 LYS 68 1HZ LYS 68 -7.315 -2.975 0.041 508 HZ3 LYS 68 2HZ LYS 68 -8.825 -3.030 0.798 509 H LEU 69 H LEU 69 -2.236 -2.490 4.967 510 HA LEU 69 HA LEU 69 -0.198 -4.395 4.528 511 HB2 LEU 69 1HB LEU 69 0.048 -1.583 5.673 512 HB3 LEU 69 2HB LEU 69 1.407 -2.560 5.152 513 HG LEU 69 HG LEU 69 -0.789 -1.461 3.351 514 HD11 LEU 69 1HD1 LEU 69 0.741 0.294 4.098 515 HD12 LEU 69 2HD1 LEU 69 0.967 -0.030 2.382 516 HD13 LEU 69 3HD1 LEU 69 2.130 -0.654 3.554 517 HD21 LEU 69 3HD2 LEU 69 0.517 -2.315 1.446 518 HD22 LEU 69 1HD2 LEU 69 -0.041 -3.624 2.484 519 HD23 LEU 69 2HD2 LEU 69 1.642 -3.098 2.556 520 H ARG 70 H ARG 70 -1.619 -3.133 7.454 521 HA ARG 70 HA ARG 70 0.131 -4.009 9.443 522 HB2 ARG 70 1HB ARG 70 -1.751 -2.522 9.887 523 HB3 ARG 70 2HB ARG 70 -2.907 -3.748 9.429 524 HG2 ARG 70 1HG ARG 70 -1.117 -4.198 11.822 525 HG3 ARG 70 2HG ARG 70 -2.522 -3.145 11.964 526 HD2 ARG 70 1HD ARG 70 -2.483 -6.103 11.295 527 HD3 ARG 70 2HD ARG 70 -3.187 -5.320 12.714 528 HE ARG 70 HE ARG 70 -4.570 -4.166 10.726 529 HH11 ARG 70 1HH1 ARG 70 -3.939 -7.560 11.373 530 HH12 ARG 70 2HH1 ARG 70 -5.401 -8.088 10.599 531 HH21 ARG 70 1HH2 ARG 70 -6.434 -4.871 9.705 532 HH22 ARG 70 2HH2 ARG 70 -6.808 -6.566 9.652 533 H LYS 71 H LYS 71 -2.405 -5.785 7.706 534 HA LYS 71 HA LYS 71 -1.952 -8.266 9.171 535 HB2 LYS 71 1HB LYS 71 -4.236 -7.739 8.500 536 HB3 LYS 71 2HB LYS 71 -3.758 -7.577 6.810 537 HG2 LYS 71 1HG LYS 71 -3.209 -9.990 6.733 538 HG3 LYS 71 2HG LYS 71 -3.677 -10.153 8.427 539 HD2 LYS 71 1HD LYS 71 -5.987 -9.584 7.882 540 HD3 LYS 71 2HD LYS 71 -5.546 -9.275 6.200 541 HE2 LYS 71 1HE LYS 71 -4.963 -11.637 5.892 542 HE3 LYS 71 2HE LYS 71 -5.299 -11.966 7.593 543 HZ1 LYS 71 3HZ LYS 71 -7.097 -12.592 6.058 544 HZ2 LYS 71 1HZ LYS 71 -7.320 -10.963 5.675 545 HZ3 LYS 71 2HZ LYS 71 -7.583 -11.507 7.254 546 H GLU 72 H GLU 72 -1.333 -6.974 5.939 547 HA GLU 72 HA GLU 72 -0.584 -9.413 4.722 548 HB2 GLU 72 1HB GLU 72 -0.212 -6.526 3.832 549 HB3 GLU 72 2HB GLU 72 0.132 -7.915 2.806 550 HG2 GLU 72 1HG GLU 72 -2.570 -7.082 3.904 551 HG3 GLU 72 2HG GLU 72 -2.029 -6.981 2.230 552 H PHE 73 H PHE 73 1.350 -6.603 5.813 553 HA PHE 73 HA PHE 73 3.829 -8.238 5.634 554 HB2 PHE 73 1HB PHE 73 3.624 -5.251 5.058 555 HB3 PHE 73 2HB PHE 73 5.054 -6.263 4.877 556 HD1 PHE 73 HD1 PHE 73 4.770 -8.327 3.201 557 HD2 PHE 73 HD2 PHE 73 2.313 -4.826 3.149 558 HE1 PHE 73 HE1 PHE 73 4.134 -8.795 0.870 559 HE2 PHE 73 HE2 PHE 73 1.692 -5.302 0.818 560 HZ PHE 73 HZ PHE 73 2.603 -7.284 -0.322 561 H GLY 74 H GLY 74 1.806 -6.674 7.776 562 HA2 GLY 74 1HA GLY 74 2.010 -6.235 10.034 563 HA3 GLY 74 2HA GLY 74 3.712 -6.670 9.952 564 H VAL 75 H VAL 75 2.748 -4.316 7.656 565 HA VAL 75 HA VAL 75 4.375 -2.270 8.954 566 HB VAL 75 HB VAL 75 3.057 -2.299 6.183 567 HG11 VAL 75 1HG1 VAL 75 4.601 -0.448 5.610 568 HG12 VAL 75 2HG1 VAL 75 5.172 -0.409 7.282 569 HG13 VAL 75 3HG1 VAL 75 3.498 -0.004 6.914 570 HG21 VAL 75 3HG2 VAL 75 4.747 -4.083 6.430 571 HG22 VAL 75 1HG2 VAL 75 5.947 -2.898 6.952 572 HG23 VAL 75 2HG2 VAL 75 5.305 -2.845 5.305 573 H THR 76 H THR 76 3.375 -0.990 10.395 574 HA THR 76 HA THR 76 0.606 -0.014 10.015 575 HB THR 76 HB THR 76 1.609 -1.105 12.692 576 HG1 THR 76 HG1 THR 76 0.660 -2.482 10.483 577 HG21 THR 76 3HG2 THR 76 -0.366 0.409 12.787 578 HG22 THR 76 1HG2 THR 76 -0.797 -1.240 13.248 579 HG23 THR 76 2HG2 THR 76 -1.217 -0.635 11.646 580 H GLY 77 H GLY 77 0.143 1.896 11.353 581 HA2 GLY 77 1HA GLY 77 0.594 3.967 12.199 582 HA3 GLY 77 2HA GLY 77 2.068 3.299 12.893 583 H VAL 78 H VAL 78 1.184 3.346 9.516 584 HA VAL 78 HA VAL 78 3.448 5.149 8.847 585 HB VAL 78 HB VAL 78 3.662 3.829 6.705 586 HG11 VAL 78 1HG1 VAL 78 4.047 2.179 9.241 587 HG12 VAL 78 2HG1 VAL 78 5.193 3.341 8.571 588 HG13 VAL 78 3HG1 VAL 78 4.818 1.865 7.684 589 HG21 VAL 78 3HG2 VAL 78 1.686 1.889 8.005 590 HG22 VAL 78 1HG2 VAL 78 2.591 1.592 6.519 591 HG23 VAL 78 2HG2 VAL 78 1.382 2.872 6.572 592 H ASP 79 H ASP 79 0.256 5.206 9.109 593 HA ASP 79 HA ASP 79 -0.904 5.638 6.614 594 HB2 ASP 79 1HB ASP 79 -2.779 6.736 7.870 595 HB3 ASP 79 2HB ASP 79 -2.296 5.175 8.521 596 H ASP 80 H ASP 80 0.639 7.974 8.789 597 HA ASP 80 HA ASP 80 0.064 10.364 7.432 598 HB2 ASP 80 1HB ASP 80 1.052 10.335 9.677 599 HB3 ASP 80 2HB ASP 80 2.520 9.578 9.067 600 H GLU 81 H GLU 81 2.854 8.167 7.115 601 HA GLU 81 HA GLU 81 4.153 9.612 5.030 602 HB2 GLU 81 1HB GLU 81 5.228 8.047 6.686 603 HB3 GLU 81 2HB GLU 81 4.510 6.696 5.821 604 HG2 GLU 81 1HG GLU 81 5.838 7.236 3.825 605 HG3 GLU 81 2HG GLU 81 6.498 8.663 4.626 606 H LEU 82 H LEU 82 1.603 7.223 5.059 607 HA LEU 82 HA LEU 82 1.698 6.469 2.293 608 HB2 LEU 82 1HB LEU 82 -0.608 6.323 4.263 609 HB3 LEU 82 2HB LEU 82 -0.592 5.571 2.675 610 HG LEU 82 HG LEU 82 1.261 4.826 4.975 611 HD11 LEU 82 1HD1 LEU 82 -1.042 4.182 5.468 612 HD12 LEU 82 2HD1 LEU 82 -0.048 2.762 5.163 613 HD13 LEU 82 3HD1 LEU 82 -1.159 3.342 3.922 614 HD21 LEU 82 3HD2 LEU 82 2.318 4.406 2.800 615 HD22 LEU 82 1HD2 LEU 82 0.916 3.466 2.286 616 HD23 LEU 82 2HD2 LEU 82 1.923 2.896 3.617 617 H ASP 83 H ASP 83 0.072 9.038 4.124 618 HA ASP 83 HA ASP 83 -1.463 10.152 1.993 619 HB2 ASP 83 1HB ASP 83 -0.257 11.519 4.449 620 HB3 ASP 83 2HB ASP 83 -1.355 12.322 3.329 621 H LEU 84 H LEU 84 1.870 10.547 3.063 622 HA LEU 84 HA LEU 84 2.537 12.611 1.147 623 HB2 LEU 84 1HB LEU 84 4.110 11.053 3.209 624 HB3 LEU 84 2HB LEU 84 4.970 11.958 1.982 625 HG LEU 84 HG LEU 84 4.885 13.301 4.004 626 HD11 LEU 84 1HD1 LEU 84 2.942 14.446 1.971 627 HD12 LEU 84 2HD1 LEU 84 4.703 14.523 1.876 628 HD13 LEU 84 3HD1 LEU 84 3.856 15.362 3.172 629 HD21 LEU 84 3HD2 LEU 84 2.785 14.057 5.053 630 HD22 LEU 84 1HD2 LEU 84 2.936 12.300 5.107 631 HD23 LEU 84 2HD2 LEU 84 1.858 13.054 3.932 632 H LEU 85 H LEU 85 2.021 9.334 0.711 633 HA LEU 85 HA LEU 85 3.942 8.933 -1.442 634 HB2 LEU 85 1HB LEU 85 1.432 7.356 -0.744 635 HB3 LEU 85 2HB LEU 85 2.592 6.901 -1.984 636 HG LEU 85 HG LEU 85 3.072 6.966 1.014 637 HD11 LEU 85 1HD1 LEU 85 1.767 5.053 0.276 638 HD12 LEU 85 2HD1 LEU 85 3.382 4.539 0.757 639 HD13 LEU 85 3HD1 LEU 85 2.976 4.668 -0.955 640 HD21 LEU 85 3HD2 LEU 85 5.076 6.319 -1.184 641 HD22 LEU 85 1HD2 LEU 85 5.335 6.082 0.546 642 HD23 LEU 85 2HD2 LEU 85 5.135 7.709 -0.097 643 H GLU 86 H GLU 86 3.549 9.127 -3.606 644 HA GLU 86 HA GLU 86 0.874 9.933 -4.591 645 HB2 GLU 86 1HB GLU 86 2.067 11.483 -6.208 646 HB3 GLU 86 2HB GLU 86 2.095 12.012 -4.524 647 HG2 GLU 86 1HG GLU 86 4.413 11.197 -4.293 648 HG3 GLU 86 2HG GLU 86 4.380 10.614 -5.961 649 H THR 87 H THR 87 3.430 7.775 -4.727 650 HA THR 87 HA THR 87 2.717 6.840 -7.420 651 HB THR 87 HB THR 87 5.638 7.016 -6.555 652 HG1 THR 87 HG1 THR 87 4.013 9.045 -7.537 653 HG21 THR 87 3HG2 THR 87 6.086 6.841 -8.965 654 HG22 THR 87 1HG2 THR 87 4.352 6.787 -9.289 655 HG23 THR 87 2HG2 THR 87 5.127 5.472 -8.403 656 H VAL 88 H VAL 88 3.014 4.634 -7.692 657 HA VAL 88 HA VAL 88 2.771 2.990 -5.339 658 HB VAL 88 HB VAL 88 3.026 2.165 -8.269 659 HG11 VAL 88 1HG1 VAL 88 2.003 0.007 -7.587 660 HG12 VAL 88 2HG1 VAL 88 2.054 0.518 -5.897 661 HG13 VAL 88 3HG1 VAL 88 3.554 0.276 -6.791 662 HG21 VAL 88 3HG2 VAL 88 0.563 1.933 -8.246 663 HG22 VAL 88 1HG2 VAL 88 1.059 3.595 -7.920 664 HG23 VAL 88 2HG2 VAL 88 0.517 2.561 -6.597 665 H ASP 89 H ASP 89 5.283 3.722 -7.687 666 HA ASP 89 HA ASP 89 7.290 1.899 -7.021 667 HB2 ASP 89 1HB ASP 89 7.394 3.491 -8.936 668 HB3 ASP 89 2HB ASP 89 7.547 4.839 -7.815 669 H GLU 90 H GLU 90 6.327 4.949 -5.542 670 HA GLU 90 HA GLU 90 8.423 5.109 -3.615 671 HB2 GLU 90 1HB GLU 90 6.981 7.039 -4.566 672 HB3 GLU 90 2HB GLU 90 5.733 6.529 -3.440 673 HG2 GLU 90 1HG GLU 90 6.907 8.363 -2.443 674 HG3 GLU 90 2HG GLU 90 7.357 6.912 -1.553 675 H LEU 91 H LEU 91 5.183 3.676 -3.633 676 HA LEU 91 HA LEU 91 4.921 3.042 -0.878 677 HB2 LEU 91 1HB LEU 91 3.024 2.827 -2.395 678 HB3 LEU 91 2HB LEU 91 3.837 1.572 -3.309 679 HG LEU 91 HG LEU 91 3.723 0.086 -1.263 680 HD11 LEU 91 1HD1 LEU 91 1.942 2.257 -0.096 681 HD12 LEU 91 2HD1 LEU 91 3.534 1.788 0.502 682 HD13 LEU 91 3HD1 LEU 91 2.195 0.648 0.588 683 HD21 LEU 91 3HD2 LEU 91 2.073 -0.145 -3.062 684 HD22 LEU 91 1HD2 LEU 91 1.042 1.063 -2.290 685 HD23 LEU 91 2HD2 LEU 91 1.345 -0.483 -1.495 686 H PHE 92 H PHE 92 6.307 1.184 -3.580 687 HA PHE 92 HA PHE 92 7.063 -1.135 -2.186 688 HB2 PHE 92 1HB PHE 92 8.194 0.189 -4.678 689 HB3 PHE 92 2HB PHE 92 8.896 -1.291 -4.031 690 HD1 PHE 92 HD1 PHE 92 5.271 -0.254 -4.486 691 HD2 PHE 92 HD2 PHE 92 8.375 -3.013 -5.520 692 HE1 PHE 92 HE1 PHE 92 3.670 -1.602 -5.760 693 HE2 PHE 92 HE2 PHE 92 6.760 -4.340 -6.799 694 HZ PHE 92 HZ PHE 92 4.406 -3.636 -6.919 695 H GLN 93 H GLN 93 8.839 1.902 -2.801 696 HA GLN 93 HA GLN 93 11.231 1.254 -1.457 697 HB2 GLN 93 1HB GLN 93 10.000 4.011 -1.870 698 HB3 GLN 93 2HB GLN 93 11.676 3.694 -1.435 699 HG2 GLN 93 1HG GLN 93 10.343 2.867 -4.029 700 HG3 GLN 93 2HG GLN 93 11.446 4.222 -3.826 701 HE21 GLN 93 2HE2 GLN 93 13.354 2.850 -2.156 702 HE22 GLN 93 1HE2 GLN 93 14.175 1.704 -3.146 703 H LEU 94 H LEU 94 8.220 2.653 -0.289 704 HA LEU 94 HA LEU 94 8.977 3.349 2.345 705 HB2 LEU 94 1HB LEU 94 6.929 4.171 1.211 706 HB3 LEU 94 2HB LEU 94 6.231 2.565 1.241 707 HG LEU 94 HG LEU 94 6.898 4.003 3.842 708 HD11 LEU 94 1HD1 LEU 94 5.526 5.565 2.543 709 HD12 LEU 94 2HD1 LEU 94 4.628 4.931 3.917 710 HD13 LEU 94 3HD1 LEU 94 4.308 4.312 2.295 711 HD21 LEU 94 3HD2 LEU 94 6.285 1.621 4.067 712 HD22 LEU 94 1HD2 LEU 94 4.772 1.912 3.206 713 HD23 LEU 94 2HD2 LEU 94 5.051 2.649 4.785 714 H VAL 95 H VAL 95 7.173 0.513 1.191 715 HA VAL 95 HA VAL 95 6.921 -0.752 3.667 716 HB VAL 95 HB VAL 95 6.693 -1.953 0.870 717 HG11 VAL 95 1HG1 VAL 95 5.726 -3.135 3.511 718 HG12 VAL 95 2HG1 VAL 95 7.026 -3.767 2.502 719 HG13 VAL 95 3HG1 VAL 95 5.366 -3.785 1.908 720 HG21 VAL 95 3HG2 VAL 95 4.534 -0.886 2.746 721 HG22 VAL 95 1HG2 VAL 95 4.244 -1.666 1.189 722 HG23 VAL 95 2HG2 VAL 95 5.091 -0.124 1.255 723 H GLU 96 H GLU 96 9.306 -1.255 1.036 724 HA GLU 96 HA GLU 96 10.581 -3.501 2.224 725 HB2 GLU 96 1HB GLU 96 11.594 -1.543 0.136 726 HB3 GLU 96 2HB GLU 96 12.444 -3.017 0.598 727 HG2 GLU 96 1HG GLU 96 10.463 -4.359 -0.131 728 HG3 GLU 96 2HG GLU 96 9.679 -2.872 -0.656 729 H LYS 97 H LYS 97 11.266 0.004 2.498 730 HA LYS 97 HA LYS 97 13.648 -0.275 4.054 731 HB2 LYS 97 1HB LYS 97 11.695 2.006 3.655 732 HB3 LYS 97 2HB LYS 97 12.975 2.150 4.853 733 HG2 LYS 97 1HG LYS 97 13.439 1.597 1.905 734 HG3 LYS 97 2HG LYS 97 13.541 3.188 2.662 735 HD2 LYS 97 1HD LYS 97 15.401 2.431 4.081 736 HD3 LYS 97 2HD LYS 97 15.276 0.799 3.428 737 HE2 LYS 97 1HE LYS 97 15.947 3.241 1.756 738 HE3 LYS 97 2HE LYS 97 17.155 2.174 2.475 739 HZ1 LYS 97 3HZ LYS 97 15.055 1.227 0.628 740 HZ2 LYS 97 1HZ LYS 97 16.404 0.383 1.170 741 HZ3 LYS 97 2HZ LYS 97 16.591 1.694 0.122 742 H HIS 98 H HIS 98 10.225 -0.129 4.949 743 HA HIS 98 HA HIS 98 10.794 -0.206 7.811 744 HB2 HIS 98 1HB HIS 98 8.183 -0.216 6.248 745 HB3 HIS 98 2HB HIS 98 8.254 -0.302 8.008 746 HD1 HIS 98 HD1 HIS 98 9.698 1.806 9.115 747 HD2 HIS 98 HD2 HIS 98 8.079 2.373 5.333 748 HE1 HIS 98 HE1 HIS 98 9.674 4.280 8.753 749 HE2 HIS 98 HE2 HIS 98 8.740 4.596 6.441 750 H ARG 99 H ARG 99 10.400 -2.541 5.314 751 HA ARG 99 HA ARG 99 9.452 -4.693 7.033 752 HB2 ARG 99 1HB ARG 99 9.343 -4.287 4.270 753 HB3 ARG 99 2HB ARG 99 10.631 -5.465 4.393 754 HG2 ARG 99 1HG ARG 99 7.817 -5.827 5.480 755 HG3 ARG 99 2HG ARG 99 8.402 -6.462 3.944 756 HD2 ARG 99 1HD ARG 99 8.465 -8.301 5.441 757 HD3 ARG 99 2HD ARG 99 10.142 -7.764 5.317 758 HE ARG 99 HE ARG 99 9.061 -6.451 7.522 759 HH11 ARG 99 1HH1 ARG 99 9.684 -9.777 6.624 760 HH12 ARG 99 2HH1 ARG 99 9.895 -10.302 8.263 761 HH21 ARG 99 1HH2 ARG 99 9.378 -7.134 9.658 762 HH22 ARG 99 2HH2 ARG 99 9.733 -8.803 9.982 763 H ALA 100 H ALA 100 12.435 -3.808 5.320 764 HA ALA 100 HA ALA 100 14.043 -5.870 6.494 765 HB1 ALA 100 3HB ALA 100 14.556 -4.993 4.258 766 HB2 ALA 100 1HB ALA 100 15.926 -4.764 5.348 767 HB3 ALA 100 2HB ALA 100 14.883 -3.399 4.938 768 H ALA 101 H ALA 101 13.627 -2.381 6.990 769 HA ALA 101 HA ALA 101 14.166 -0.901 8.598 770 HB1 ALA 101 3HB ALA 101 14.225 -1.654 10.944 771 HB2 ALA 101 1HB ALA 101 14.365 -3.330 10.411 772 HB3 ALA 101 2HB ALA 101 12.894 -2.419 10.073 773 H GLY 102 H GLY 102 16.036 -0.859 10.680 774 HA2 GLY 102 1HA GLY 102 18.568 -1.975 10.099 775 HA3 GLY 102 2HA GLY 102 18.476 -0.373 9.370 776 H SER 103 H SER 103 17.425 -1.840 12.448 777 HA SER 103 HA SER 103 18.192 0.543 13.947 778 HB2 SER 103 1HB SER 103 16.018 -0.638 14.397 779 HB3 SER 103 2HB SER 103 16.923 -2.052 14.947 780 HG SER 103 HG SER 103 16.302 -0.710 16.694 Start of MODEL 5 1 H1 MET 1 1H MET 1 -14.513 1.100 -74.073 2 H2 MET 1 2H MET 1 -15.988 0.874 -73.285 3 H3 MET 1 3H MET 1 -15.266 -0.410 -74.104 4 HA MET 1 HA MET 1 -15.035 -0.579 -71.707 5 HB2 MET 1 1HB MET 1 -12.602 -1.075 -71.704 6 HB3 MET 1 2HB MET 1 -13.376 -1.655 -73.170 7 HG2 MET 1 1HG MET 1 -12.504 0.349 -74.377 8 HG3 MET 1 2HG MET 1 -11.643 0.815 -72.906 9 HE1 MET 1 3HE MET 1 -10.121 0.502 -75.658 10 HE2 MET 1 1HE MET 1 -8.724 -0.480 -75.219 11 HE3 MET 1 2HE MET 1 -9.241 0.834 -74.164 12 H GLY 2 H GLY 2 -14.335 0.282 -69.743 13 HA2 GLY 2 1HA GLY 2 -12.671 2.460 -69.277 14 HA3 GLY 2 2HA GLY 2 -14.284 3.133 -69.494 15 H SER 3 H SER 3 -13.603 -0.006 -68.018 16 HA SER 3 HA SER 3 -15.014 0.665 -65.589 17 HB2 SER 3 1HB SER 3 -14.384 -1.667 -64.897 18 HB3 SER 3 2HB SER 3 -15.149 -1.618 -66.485 19 HG SER 3 HG SER 3 -12.514 -1.355 -66.819 20 H SER 4 H SER 4 -14.137 1.558 -63.799 21 HA SER 4 HA SER 4 -11.325 1.223 -63.100 22 HB2 SER 4 1HB SER 4 -10.985 3.722 -62.922 23 HB3 SER 4 2HB SER 4 -11.184 3.155 -64.578 24 HG SER 4 HG SER 4 -12.909 4.686 -62.986 25 H HIS 5 H HIS 5 -11.463 0.562 -61.090 26 HA HIS 5 HA HIS 5 -13.171 1.962 -59.117 27 HB2 HIS 5 1HB HIS 5 -12.779 -1.065 -59.342 28 HB3 HIS 5 2HB HIS 5 -13.613 -0.257 -58.018 29 HD1 HIS 5 HD1 HIS 5 -14.094 -1.526 -61.454 30 HD2 HIS 5 HD2 HIS 5 -16.152 0.859 -58.750 31 HE1 HIS 5 HE1 HIS 5 -16.429 -1.354 -62.348 32 HE2 HIS 5 HE2 HIS 5 -17.692 -0.061 -60.599 33 H ASP 6 H ASP 6 -12.197 2.294 -57.157 34 HA ASP 6 HA ASP 6 -9.309 1.929 -56.967 35 HB2 ASP 6 1HB ASP 6 -9.451 3.440 -55.043 36 HB3 ASP 6 2HB ASP 6 -10.393 4.105 -56.370 37 H HIS 7 H HIS 7 -8.605 1.536 -54.496 38 HA HIS 7 HA HIS 7 -10.240 -0.357 -53.047 39 HB2 HIS 7 1HB HIS 7 -8.542 -2.132 -52.898 40 HB3 HIS 7 2HB HIS 7 -9.010 -1.871 -54.567 41 HD1 HIS 7 HD1 HIS 7 -7.230 -0.592 -56.089 42 HD2 HIS 7 HD2 HIS 7 -5.813 -1.930 -52.423 43 HE1 HIS 7 HE1 HIS 7 -4.734 -0.614 -56.300 44 HE2 HIS 7 HE2 HIS 7 -3.912 -1.600 -54.141 45 H HIS 8 H HIS 8 -9.986 -0.116 -50.883 46 HA HIS 8 HA HIS 8 -7.525 1.020 -49.776 47 HB2 HIS 8 1HB HIS 8 -8.833 2.688 -48.391 48 HB3 HIS 8 2HB HIS 8 -8.735 3.057 -50.102 49 HD1 HIS 8 HD1 HIS 8 -10.920 3.100 -51.439 50 HD2 HIS 8 HD2 HIS 8 -11.463 2.076 -47.448 51 HE1 HIS 8 HE1 HIS 8 -13.379 3.289 -51.016 52 HE2 HIS 8 HE2 HIS 8 -13.688 2.648 -48.611 53 H HIS 9 H HIS 9 -6.931 -0.168 -48.149 54 HA HIS 9 HA HIS 9 -8.818 -1.373 -46.256 55 HB2 HIS 9 1HB HIS 9 -8.439 -3.087 -48.036 56 HB3 HIS 9 2HB HIS 9 -6.703 -2.951 -47.808 57 HD1 HIS 9 HD1 HIS 9 -5.673 -4.256 -45.855 58 HD2 HIS 9 HD2 HIS 9 -9.813 -4.533 -45.995 59 HE1 HIS 9 HE1 HIS 9 -6.286 -6.048 -44.215 60 HE2 HIS 9 HE2 HIS 9 -8.799 -6.015 -44.156 61 H HIS 10 H HIS 10 -7.869 -1.763 -44.227 62 HA HIS 10 HA HIS 10 -5.038 -1.039 -43.836 63 HB2 HIS 10 1HB HIS 10 -5.627 0.284 -41.809 64 HB3 HIS 10 2HB HIS 10 -6.269 0.998 -43.278 65 HD1 HIS 10 HD1 HIS 10 -7.299 -0.375 -39.995 66 HD2 HIS 10 HD2 HIS 10 -9.143 0.835 -43.508 67 HE1 HIS 10 HE1 HIS 10 -9.727 -0.149 -39.429 68 HE2 HIS 10 HE2 HIS 10 -10.838 0.426 -41.613 69 H SER 11 H SER 11 -4.258 -2.983 -43.284 70 HA SER 11 HA SER 11 -5.616 -4.776 -41.446 71 HB2 SER 11 1HB SER 11 -3.478 -6.126 -41.649 72 HB3 SER 11 2HB SER 11 -4.286 -5.815 -43.184 73 HG SER 11 HG SER 11 -1.989 -4.532 -42.132 74 H SER 12 H SER 12 -5.880 -3.245 -39.762 75 HA SER 12 HA SER 12 -3.494 -2.417 -38.219 76 HB2 SER 12 1HB SER 12 -5.142 -0.792 -37.168 77 HB3 SER 12 2HB SER 12 -4.897 -0.550 -38.897 78 HG SER 12 HG SER 12 -7.055 -1.989 -37.724 79 H GLY 13 H GLY 13 -3.193 -3.187 -36.176 80 HA2 GLY 13 1HA GLY 13 -5.329 -4.646 -34.776 81 HA3 GLY 13 2HA GLY 13 -3.873 -5.539 -35.209 82 H ARG 14 H ARG 14 -4.724 -5.288 -32.611 83 HA ARG 14 HA ARG 14 -2.490 -3.777 -31.371 84 HB2 ARG 14 1HB ARG 14 -5.184 -4.406 -30.072 85 HB3 ARG 14 2HB ARG 14 -3.870 -3.478 -29.354 86 HG2 ARG 14 1HG ARG 14 -4.224 -1.668 -30.966 87 HG3 ARG 14 2HG ARG 14 -5.471 -2.609 -31.788 88 HD2 ARG 14 1HD ARG 14 -6.750 -2.625 -29.581 89 HD3 ARG 14 2HD ARG 14 -5.579 -1.440 -28.991 90 HE ARG 14 HE ARG 14 -6.326 -0.092 -31.033 91 HH11 ARG 14 1HH1 ARG 14 -8.494 -2.208 -29.255 92 HH12 ARG 14 2HH1 ARG 14 -9.910 -1.284 -29.645 93 HH21 ARG 14 1HH2 ARG 14 -8.193 1.101 -31.550 94 HH22 ARG 14 2HH2 ARG 14 -9.735 0.594 -30.943 95 H GLU 15 H GLU 15 -1.839 -4.805 -29.243 96 HA GLU 15 HA GLU 15 -1.309 -7.598 -29.501 97 HB2 GLU 15 1HB GLU 15 -0.991 -5.822 -27.040 98 HB3 GLU 15 2HB GLU 15 -0.233 -7.395 -27.287 99 HG2 GLU 15 1HG GLU 15 1.087 -6.479 -29.159 100 HG3 GLU 15 2HG GLU 15 0.310 -4.907 -28.947 101 H ASN 16 H ASN 16 -2.508 -9.299 -28.803 102 HA ASN 16 HA ASN 16 -5.135 -8.942 -27.709 103 HB2 ASN 16 1HB ASN 16 -3.498 -11.476 -28.175 104 HB3 ASN 16 2HB ASN 16 -5.196 -11.463 -27.704 105 HD21 ASN 16 2HD2 ASN 16 -6.745 -10.866 -29.224 106 HD22 ASN 16 1HD2 ASN 16 -6.402 -10.765 -30.914 107 H LEU 17 H LEU 17 -2.319 -10.755 -26.466 108 HA LEU 17 HA LEU 17 -3.282 -10.467 -23.684 109 HB2 LEU 17 1HB LEU 17 -1.534 -12.558 -25.034 110 HB3 LEU 17 2HB LEU 17 -1.545 -12.375 -23.290 111 HG LEU 17 HG LEU 17 -3.999 -12.916 -23.274 112 HD11 LEU 17 1HD1 LEU 17 -3.640 -13.550 -26.215 113 HD12 LEU 17 2HD1 LEU 17 -4.636 -12.264 -25.535 114 HD13 LEU 17 3HD1 LEU 17 -5.061 -13.948 -25.240 115 HD21 LEU 17 3HD2 LEU 17 -2.237 -15.047 -24.537 116 HD22 LEU 17 1HD2 LEU 17 -3.745 -15.333 -23.661 117 HD23 LEU 17 2HD2 LEU 17 -2.351 -14.674 -22.814 118 H TYR 18 H TYR 18 -1.660 -10.168 -22.053 119 HA TYR 18 HA TYR 18 0.879 -8.868 -22.822 120 HB2 TYR 18 1HB TYR 18 -1.043 -7.758 -20.714 121 HB3 TYR 18 2HB TYR 18 0.511 -7.072 -21.169 122 HD1 TYR 18 HD1 TYR 18 0.731 -5.771 -23.279 123 HD2 TYR 18 HD2 TYR 18 -3.039 -7.441 -22.144 124 HE1 TYR 18 HE1 TYR 18 -0.398 -4.366 -24.948 125 HE2 TYR 18 HE2 TYR 18 -4.164 -6.031 -23.816 126 HH TYR 18 HH TYR 18 -3.762 -3.923 -25.024 127 H PHE 19 H PHE 19 2.236 -8.608 -20.709 128 HA PHE 19 HA PHE 19 1.851 -10.906 -18.872 129 HB2 PHE 19 1HB PHE 19 4.418 -9.373 -19.546 130 HB3 PHE 19 2HB PHE 19 4.307 -10.704 -18.397 131 HD1 PHE 19 HD2 PHE 19 3.992 -13.029 -19.188 132 HD2 PHE 19 HD1 PHE 19 4.372 -9.796 -21.971 133 HE1 PHE 19 HE2 PHE 19 4.406 -14.632 -21.008 134 HE2 PHE 19 HE1 PHE 19 4.778 -11.410 -23.779 135 HZ PHE 19 HZ PHE 19 4.797 -13.829 -23.302 136 H GLN 20 H GLN 20 1.103 -10.340 -16.902 137 HA GLN 20 HA GLN 20 0.932 -7.563 -16.093 138 HB2 GLN 20 1HB GLN 20 -0.936 -9.271 -15.815 139 HB3 GLN 20 2HB GLN 20 0.010 -10.045 -14.555 140 HG2 GLN 20 1HG GLN 20 -0.875 -7.143 -14.391 141 HG3 GLN 20 2HG GLN 20 -1.892 -8.456 -13.845 142 HE21 GLN 20 2HE2 GLN 20 0.970 -6.596 -13.176 143 HE22 GLN 20 1HE2 GLN 20 1.233 -7.202 -11.582 144 H GLY 21 H GLY 21 2.698 -6.634 -15.246 145 HA2 GLY 21 1HA GLY 21 4.096 -6.075 -13.484 146 HA3 GLY 21 2HA GLY 21 3.794 -7.635 -12.742 147 H HIS 22 H HIS 22 6.267 -6.609 -12.651 148 HA HIS 22 HA HIS 22 8.005 -7.533 -14.777 149 HB2 HIS 22 1HB HIS 22 8.691 -5.547 -13.612 150 HB3 HIS 22 2HB HIS 22 8.453 -6.289 -12.038 151 HD1 HIS 22 HD1 HIS 22 10.780 -6.658 -15.042 152 HD2 HIS 22 HD2 HIS 22 10.760 -7.218 -10.922 153 HE1 HIS 22 HE1 HIS 22 13.140 -7.271 -14.429 154 HE2 HIS 22 HE2 HIS 22 13.130 -7.399 -11.921 155 H MET 23 H MET 23 8.005 -8.299 -11.272 156 HA MET 23 HA MET 23 8.105 -11.180 -11.813 157 HB2 MET 23 1HB MET 23 10.211 -9.692 -10.190 158 HB3 MET 23 2HB MET 23 9.938 -11.421 -10.023 159 HG2 MET 23 1HG MET 23 10.500 -11.684 -12.452 160 HG3 MET 23 2HG MET 23 10.893 -9.966 -12.504 161 HE1 MET 23 3HE MET 23 11.921 -13.511 -11.146 162 HE2 MET 23 1HE MET 23 11.623 -12.650 -9.634 163 HE3 MET 23 2HE MET 23 13.264 -13.120 -10.075 164 HA PRO 24 HA PRO 24 5.187 -10.370 -8.350 165 HB2 PRO 24 1HB PRO 24 3.435 -12.348 -8.910 166 HB3 PRO 24 2HB PRO 24 3.530 -10.910 -9.934 167 HG2 PRO 24 1HG PRO 24 4.760 -13.633 -10.374 168 HG3 PRO 24 2HG PRO 24 3.840 -12.627 -11.517 169 HD2 PRO 24 1HD PRO 24 6.588 -12.708 -11.452 170 HD3 PRO 24 2HD PRO 24 5.674 -11.288 -12.003 171 H ASN 25 H ASN 25 7.555 -11.360 -7.539 172 HA ASN 25 HA ASN 25 7.700 -13.995 -6.549 173 HB2 ASN 25 1HB ASN 25 9.017 -11.456 -5.475 174 HB3 ASN 25 2HB ASN 25 9.493 -13.094 -5.037 175 HD21 ASN 25 2HD2 ASN 25 11.050 -10.963 -6.281 176 HD22 ASN 25 1HD2 ASN 25 11.657 -11.611 -7.763 177 H ASP 26 H ASP 26 7.154 -11.016 -4.655 178 HA ASP 26 HA ASP 26 4.709 -12.046 -3.528 179 HB2 ASP 26 1HB ASP 26 6.195 -13.016 -1.872 180 HB3 ASP 26 2HB ASP 26 7.115 -11.518 -1.721 181 H MET 27 H MET 27 7.044 -9.496 -2.508 182 HA MET 27 HA MET 27 5.063 -7.770 -1.615 183 HB2 MET 27 1HB MET 27 6.799 -6.025 -1.471 184 HB3 MET 27 2HB MET 27 7.355 -7.567 -0.841 185 HG2 MET 27 1HG MET 27 8.764 -7.943 -2.717 186 HG3 MET 27 2HG MET 27 8.010 -6.655 -3.650 187 HE1 MET 27 3HE MET 27 7.813 -4.250 -1.635 188 HE2 MET 27 1HE MET 27 8.440 -4.100 -3.279 189 HE3 MET 27 2HE MET 27 9.352 -3.440 -1.925 190 H GLU 28 H GLU 28 6.501 -7.900 -4.845 191 HA GLU 28 HA GLU 28 5.543 -5.417 -5.799 192 HB2 GLU 28 1HB GLU 28 7.335 -6.720 -6.931 193 HB3 GLU 28 2HB GLU 28 6.150 -7.939 -7.393 194 HG2 GLU 28 1HG GLU 28 4.917 -6.196 -8.702 195 HG3 GLU 28 2HG GLU 28 6.189 -5.034 -8.307 196 H ASP 29 H ASP 29 4.283 -8.729 -6.287 197 HA ASP 29 HA ASP 29 1.875 -7.964 -7.570 198 HB2 ASP 29 1HB ASP 29 2.908 -10.234 -7.734 199 HB3 ASP 29 2HB ASP 29 2.502 -10.535 -6.052 200 H HIS 30 H HIS 30 2.781 -8.365 -4.221 201 HA HIS 30 HA HIS 30 0.189 -8.885 -3.159 202 HB2 HIS 30 1HB HIS 30 2.513 -9.537 -2.188 203 HB3 HIS 30 2HB HIS 30 2.570 -7.902 -1.540 204 HD1 HIS 30 HD1 HIS 30 2.208 -10.911 -0.123 205 HD2 HIS 30 HD2 HIS 30 -0.486 -7.746 -0.305 206 HE1 HIS 30 HE1 HIS 30 0.623 -11.233 1.797 207 HE2 HIS 30 HE2 HIS 30 -1.048 -9.384 1.583 208 H LEU 31 H LEU 31 2.337 -6.010 -2.982 209 HA LEU 31 HA LEU 31 0.386 -4.305 -1.808 210 HB2 LEU 31 1HB LEU 31 3.004 -3.767 -3.206 211 HB3 LEU 31 2HB LEU 31 1.947 -2.431 -2.809 212 HG LEU 31 HG LEU 31 3.615 -2.566 -1.105 213 HD11 LEU 31 1HD1 LEU 31 1.042 -3.707 0.007 214 HD12 LEU 31 2HD1 LEU 31 1.379 -2.005 -0.327 215 HD13 LEU 31 3HD1 LEU 31 2.294 -2.853 0.915 216 HD21 LEU 31 3HD2 LEU 31 2.898 -5.484 -0.698 217 HD22 LEU 31 1HD2 LEU 31 4.041 -4.550 0.274 218 HD23 LEU 31 2HD2 LEU 31 4.380 -4.860 -1.427 219 H LEU 32 H LEU 32 1.232 -5.104 -5.140 220 HA LEU 32 HA LEU 32 -0.331 -3.149 -6.460 221 HB2 LEU 32 1HB LEU 32 1.485 -4.750 -7.381 222 HB3 LEU 32 2HB LEU 32 0.210 -5.951 -7.495 223 HG LEU 32 HG LEU 32 -1.026 -4.433 -9.077 224 HD11 LEU 32 1HD1 LEU 32 1.481 -2.720 -8.920 225 HD12 LEU 32 2HD1 LEU 32 -0.131 -2.274 -8.351 226 HD13 LEU 32 3HD1 LEU 32 0.156 -2.511 -10.071 227 HD21 LEU 32 3HD2 LEU 32 0.430 -4.824 -11.007 228 HD22 LEU 32 1HD2 LEU 32 0.441 -6.221 -9.935 229 HD23 LEU 32 2HD2 LEU 32 1.811 -5.106 -9.941 230 H THR 33 H THR 33 -1.130 -6.265 -5.024 231 HA THR 33 HA THR 33 -3.763 -6.541 -6.115 232 HB THR 33 HB THR 33 -2.502 -7.910 -3.688 233 HG1 THR 33 HG1 THR 33 -1.773 -8.285 -6.018 234 HG21 THR 33 3HG2 THR 33 -4.332 -9.571 -3.879 235 HG22 THR 33 1HG2 THR 33 -5.082 -8.605 -5.151 236 HG23 THR 33 2HG2 THR 33 -4.973 -7.971 -3.509 237 H VAL 34 H VAL 34 -2.549 -5.484 -2.879 238 HA VAL 34 HA VAL 34 -5.110 -5.031 -1.762 239 HB VAL 34 HB VAL 34 -3.091 -5.332 -0.350 240 HG11 VAL 34 1HG1 VAL 34 -1.458 -4.047 -1.629 241 HG12 VAL 34 2HG1 VAL 34 -1.496 -3.496 0.046 242 HG13 VAL 34 3HG1 VAL 34 -2.280 -2.541 -1.218 243 HG21 VAL 34 3HG2 VAL 34 -3.606 -3.644 1.383 244 HG22 VAL 34 1HG2 VAL 34 -5.079 -4.292 0.658 245 HG23 VAL 34 2HG2 VAL 34 -4.500 -2.691 0.196 246 H LEU 35 H LEU 35 -2.993 -2.958 -3.685 247 HA LEU 35 HA LEU 35 -4.555 -0.558 -3.462 248 HB2 LEU 35 1HB LEU 35 -2.519 -1.418 -5.547 249 HB3 LEU 35 2HB LEU 35 -3.252 0.181 -5.490 250 HG LEU 35 HG LEU 35 -1.434 -1.025 -3.363 251 HD11 LEU 35 1HD1 LEU 35 0.162 0.722 -4.044 252 HD12 LEU 35 2HD1 LEU 35 -0.935 1.228 -5.329 253 HD13 LEU 35 3HD1 LEU 35 -0.207 -0.380 -5.368 254 HD21 LEU 35 3HD2 LEU 35 -3.116 0.415 -2.303 255 HD22 LEU 35 1HD2 LEU 35 -2.728 1.725 -3.423 256 HD23 LEU 35 2HD2 LEU 35 -1.528 1.170 -2.254 257 H SER 36 H SER 36 -4.567 -3.326 -5.675 258 HA SER 36 HA SER 36 -6.361 -2.331 -7.615 259 HB2 SER 36 1HB SER 36 -4.981 -4.324 -8.024 260 HB3 SER 36 2HB SER 36 -5.818 -5.204 -6.748 261 HG SER 36 HG SER 36 -7.378 -4.131 -8.794 262 H VAL 37 H VAL 37 -6.865 -3.940 -4.533 263 HA VAL 37 HA VAL 37 -9.749 -4.170 -4.813 264 HB VAL 37 HB VAL 37 -8.055 -4.623 -2.303 265 HG11 VAL 37 1HG1 VAL 37 -10.815 -5.680 -3.044 266 HG12 VAL 37 2HG1 VAL 37 -10.466 -4.435 -1.844 267 HG13 VAL 37 3HG1 VAL 37 -9.914 -6.087 -1.577 268 HG21 VAL 37 3HG2 VAL 37 -8.002 -7.021 -2.898 269 HG22 VAL 37 1HG2 VAL 37 -7.212 -6.048 -4.138 270 HG23 VAL 37 2HG2 VAL 37 -8.834 -6.678 -4.416 271 H ALA 38 H ALA 38 -7.442 -1.901 -3.503 272 HA ALA 38 HA ALA 38 -9.226 -0.397 -1.824 273 HB1 ALA 38 3HB ALA 38 -7.393 1.233 -1.690 274 HB2 ALA 38 1HB ALA 38 -6.546 0.415 -3.003 275 HB3 ALA 38 2HB ALA 38 -6.782 -0.406 -1.460 276 H SER 39 H SER 39 -8.028 -0.039 -5.142 277 HA SER 39 HA SER 39 -9.387 2.495 -5.582 278 HB2 SER 39 1HB SER 39 -8.261 2.391 -7.806 279 HB3 SER 39 2HB SER 39 -7.120 2.170 -6.477 280 HG SER 39 HG SER 39 -6.633 0.317 -7.317 281 H GLY 40 H GLY 40 -9.440 -0.802 -6.932 282 HA2 GLY 40 1HA GLY 40 -11.685 -1.790 -7.347 283 HA3 GLY 40 2HA GLY 40 -12.107 -0.279 -8.150 284 H VAL 41 H VAL 41 -9.461 0.015 -9.423 285 HA VAL 41 HA VAL 41 -9.938 -1.510 -11.791 286 HB VAL 41 HB VAL 41 -7.805 -0.413 -12.641 287 HG11 VAL 41 1HG1 VAL 41 -8.792 1.835 -12.854 288 HG12 VAL 41 2HG1 VAL 41 -9.937 1.459 -11.563 289 HG13 VAL 41 3HG1 VAL 41 -10.003 0.577 -13.090 290 HG21 VAL 41 3HG2 VAL 41 -7.874 1.046 -9.974 291 HG22 VAL 41 1HG2 VAL 41 -6.840 1.462 -11.346 292 HG23 VAL 41 2HG2 VAL 41 -6.624 -0.075 -10.514 293 HA PRO 42 HA PRO 42 -7.585 -5.256 -10.765 294 HB2 PRO 42 1HB PRO 42 -7.291 -5.344 -13.772 295 HB3 PRO 42 2HB PRO 42 -7.787 -6.626 -12.655 296 HG2 PRO 42 1HG PRO 42 -9.631 -5.366 -14.114 297 HG3 PRO 42 2HG PRO 42 -9.959 -5.746 -12.408 298 HD2 PRO 42 1HD PRO 42 -9.196 -3.104 -13.647 299 HD3 PRO 42 2HD PRO 42 -10.364 -3.452 -12.351 300 H LYS 43 H LYS 43 -5.443 -6.085 -10.888 301 HA LYS 43 HA LYS 43 -3.306 -4.290 -10.749 302 HB2 LYS 43 1HB LYS 43 -3.232 -7.284 -11.299 303 HB3 LYS 43 2HB LYS 43 -1.844 -6.326 -10.797 304 HG2 LYS 43 1HG LYS 43 -2.947 -5.843 -8.638 305 HG3 LYS 43 2HG LYS 43 -4.350 -6.787 -9.140 306 HD2 LYS 43 1HD LYS 43 -1.525 -7.886 -8.784 307 HD3 LYS 43 2HD LYS 43 -2.849 -8.073 -7.634 308 HE2 LYS 43 1HE LYS 43 -4.137 -9.351 -9.307 309 HE3 LYS 43 2HE LYS 43 -2.822 -9.168 -10.472 310 HZ1 LYS 43 3HZ LYS 43 -2.774 -11.320 -9.357 311 HZ2 LYS 43 1HZ LYS 43 -2.613 -10.562 -7.857 312 HZ3 LYS 43 2HZ LYS 43 -1.387 -10.423 -9.009 313 H GLU 44 H GLU 44 -4.616 -5.960 -13.501 314 HA GLU 44 HA GLU 44 -2.398 -5.828 -15.267 315 HB2 GLU 44 1HB GLU 44 -5.373 -6.035 -15.884 316 HB3 GLU 44 2HB GLU 44 -4.073 -6.373 -17.025 317 HG2 GLU 44 1HG GLU 44 -3.304 -8.234 -15.523 318 HG3 GLU 44 2HG GLU 44 -4.685 -7.915 -14.477 319 H GLU 45 H GLU 45 -4.730 -3.473 -14.268 320 HA GLU 45 HA GLU 45 -3.982 -1.591 -16.427 321 HB2 GLU 45 1HB GLU 45 -6.312 -1.584 -14.466 322 HB3 GLU 45 2HB GLU 45 -5.970 -0.266 -15.591 323 HG2 GLU 45 1HG GLU 45 -6.287 -1.785 -17.500 324 HG3 GLU 45 2HG GLU 45 -6.589 -3.128 -16.399 325 H ILE 46 H ILE 46 -2.884 -2.390 -13.452 326 HA ILE 46 HA ILE 46 -2.176 0.403 -12.703 327 HB ILE 46 HB ILE 46 -2.001 -2.047 -10.881 328 HG12 ILE 46 1HG1 ILE 46 -4.206 0.076 -10.871 329 HG13 ILE 46 2HG1 ILE 46 -4.399 -1.558 -11.496 330 HG21 ILE 46 1HG2 ILE 46 -1.765 -0.368 -9.065 331 HG22 ILE 46 2HG2 ILE 46 -1.851 0.938 -10.250 332 HG23 ILE 46 3HG2 ILE 46 -0.492 -0.187 -10.273 333 HD11 ILE 46 3HD1 ILE 46 -3.982 -2.463 -9.260 334 HD12 ILE 46 1HD1 ILE 46 -5.345 -1.347 -9.286 335 HD13 ILE 46 2HD1 ILE 46 -3.796 -0.821 -8.633 336 H SER 47 H SER 47 -0.146 0.915 -13.285 337 HA SER 47 HA SER 47 1.993 -1.129 -13.385 338 HB2 SER 47 1HB SER 47 1.987 1.760 -14.385 339 HB3 SER 47 2HB SER 47 3.270 0.570 -14.639 340 HG SER 47 HG SER 47 0.596 0.179 -15.510 341 H ARG 48 H ARG 48 4.171 -0.334 -12.490 342 HA ARG 48 HA ARG 48 3.861 0.457 -9.745 343 HB2 ARG 48 1HB ARG 48 6.466 0.227 -11.310 344 HB3 ARG 48 2HB ARG 48 6.282 0.236 -9.559 345 HG2 ARG 48 1HG ARG 48 4.868 -1.921 -9.896 346 HG3 ARG 48 2HG ARG 48 5.562 -1.947 -11.517 347 HD2 ARG 48 1HD ARG 48 7.022 -2.150 -8.872 348 HD3 ARG 48 2HD ARG 48 6.900 -3.376 -10.136 349 HE ARG 48 HE ARG 48 8.251 -0.844 -10.756 350 HH11 ARG 48 1HH1 ARG 48 8.556 -4.306 -10.173 351 HH12 ARG 48 2HH1 ARG 48 10.220 -4.343 -10.664 352 HH21 ARG 48 1HH2 ARG 48 10.414 -0.946 -11.391 353 HH22 ARG 48 2HH2 ARG 48 11.257 -2.462 -11.363 354 H ASP 49 H ASP 49 4.472 2.174 -12.701 355 HA ASP 49 HA ASP 49 4.523 4.700 -11.153 356 HB2 ASP 49 1HB ASP 49 6.673 4.362 -12.382 357 HB3 ASP 49 2HB ASP 49 5.781 4.216 -13.899 358 H SER 50 H SER 50 2.213 4.290 -11.163 359 HA SER 50 HA SER 50 0.922 5.620 -13.489 360 HB2 SER 50 1HB SER 50 -0.310 3.574 -11.572 361 HB3 SER 50 2HB SER 50 -1.182 4.427 -12.850 362 HG SER 50 HG SER 50 0.929 3.358 -13.974 363 H ARG 51 H ARG 51 2.325 6.589 -11.055 364 HA ARG 51 HA ARG 51 2.239 7.867 -9.226 365 HB2 ARG 51 1HB ARG 51 -0.239 9.046 -10.537 366 HB3 ARG 51 2HB ARG 51 0.680 9.792 -9.234 367 HG2 ARG 51 1HG ARG 51 2.682 9.787 -10.838 368 HG3 ARG 51 2HG ARG 51 1.530 9.366 -12.108 369 HD2 ARG 51 1HD ARG 51 1.620 11.889 -10.430 370 HD3 ARG 51 2HD ARG 51 1.802 11.742 -12.181 371 HE ARG 51 HE ARG 51 -0.624 10.926 -12.105 372 HH11 ARG 51 1HH1 ARG 51 0.631 13.373 -9.913 373 HH12 ARG 51 2HH1 ARG 51 -0.927 14.070 -9.623 374 HH21 ARG 51 1HH2 ARG 51 -2.642 11.885 -11.719 375 HH22 ARG 51 2HH2 ARG 51 -2.763 13.249 -10.653 376 H MET 52 H MET 52 0.279 8.929 -7.605 377 HA MET 52 HA MET 52 -1.553 6.808 -6.811 378 HB2 MET 52 1HB MET 52 0.571 6.236 -5.660 379 HB3 MET 52 2HB MET 52 0.624 7.835 -4.935 380 HG2 MET 52 1HG MET 52 -1.297 7.372 -3.585 381 HG3 MET 52 2HG MET 52 -1.633 5.880 -4.461 382 HE1 MET 52 3HE MET 52 -0.342 3.641 -4.145 383 HE2 MET 52 1HE MET 52 1.158 3.481 -3.230 384 HE3 MET 52 2HE MET 52 1.138 4.413 -4.725 385 H GLU 53 H GLU 53 -3.026 8.347 -7.529 386 HA GLU 53 HA GLU 53 -3.698 10.421 -5.520 387 HB2 GLU 53 1HB GLU 53 -4.969 11.522 -7.532 388 HB3 GLU 53 2HB GLU 53 -3.239 11.752 -7.382 389 HG2 GLU 53 1HG GLU 53 -3.798 11.398 -9.692 390 HG3 GLU 53 2HG GLU 53 -2.847 10.038 -9.111 391 H ASP 54 H ASP 54 -4.501 7.452 -6.701 392 HA ASP 54 HA ASP 54 -7.301 7.647 -5.767 393 HB2 ASP 54 1HB ASP 54 -7.212 7.720 -8.300 394 HB3 ASP 54 2HB ASP 54 -6.453 6.133 -8.281 395 H LEU 55 H LEU 55 -4.446 5.653 -6.419 396 HA LEU 55 HA LEU 55 -5.455 3.186 -5.465 397 HB2 LEU 55 1HB LEU 55 -2.607 4.189 -5.760 398 HB3 LEU 55 2HB LEU 55 -3.019 2.518 -5.402 399 HG LEU 55 HG LEU 55 -3.934 3.947 -7.935 400 HD11 LEU 55 1HD1 LEU 55 -2.154 2.748 -9.125 401 HD12 LEU 55 2HD1 LEU 55 -1.526 2.139 -7.592 402 HD13 LEU 55 3HD1 LEU 55 -1.495 3.871 -7.937 403 HD21 LEU 55 3HD2 LEU 55 -5.306 1.996 -7.286 404 HD22 LEU 55 1HD2 LEU 55 -3.858 0.985 -7.259 405 HD23 LEU 55 2HD2 LEU 55 -4.412 1.705 -8.773 406 H ALA 56 H ALA 56 -3.711 5.802 -3.809 407 HA ALA 56 HA ALA 56 -4.752 5.094 -1.249 408 HB1 ALA 56 3HB ALA 56 -2.967 3.383 -1.332 409 HB2 ALA 56 1HB ALA 56 -2.641 4.572 -0.071 410 HB3 ALA 56 2HB ALA 56 -1.757 4.636 -1.600 411 H PHE 57 H PHE 57 -5.438 7.308 -1.594 412 HA PHE 57 HA PHE 57 -3.485 9.299 -0.729 413 HB2 PHE 57 1HB PHE 57 -3.343 9.220 -3.244 414 HB3 PHE 57 2HB PHE 57 -5.051 9.631 -3.326 415 HD1 PHE 57 HD2 PHE 57 -1.972 10.960 -1.608 416 HD2 PHE 57 HD1 PHE 57 -5.470 11.871 -3.904 417 HE1 PHE 57 HE2 PHE 57 -1.356 13.334 -1.627 418 HE2 PHE 57 HE1 PHE 57 -4.835 14.249 -3.914 419 HZ PHE 57 HZ PHE 57 -2.776 14.982 -2.777 420 H ASP 58 H ASP 58 -6.702 8.167 -0.989 421 HA ASP 58 HA ASP 58 -7.901 10.477 0.380 422 HB2 ASP 58 1HB ASP 58 -9.276 9.430 -1.319 423 HB3 ASP 58 2HB ASP 58 -9.000 7.828 -0.650 424 H SER 59 H SER 59 -8.819 10.274 2.498 425 HA SER 59 HA SER 59 -7.169 9.170 4.434 426 HB2 SER 59 1HB SER 59 -10.108 9.898 4.734 427 HB3 SER 59 2HB SER 59 -8.914 9.811 6.033 428 HG SER 59 HG SER 59 -7.771 11.445 4.536 429 H LEU 60 H LEU 60 -10.252 7.859 3.190 430 HA LEU 60 HA LEU 60 -10.364 5.658 5.018 431 HB2 LEU 60 1HB LEU 60 -11.842 6.231 2.424 432 HB3 LEU 60 2HB LEU 60 -12.122 4.774 3.364 433 HG LEU 60 HG LEU 60 -12.842 6.232 5.312 434 HD11 LEU 60 1HD1 LEU 60 -13.468 8.573 4.907 435 HD12 LEU 60 2HD1 LEU 60 -12.756 8.496 3.293 436 HD13 LEU 60 3HD1 LEU 60 -11.731 8.336 4.721 437 HD21 LEU 60 3HD2 LEU 60 -14.455 6.552 2.759 438 HD22 LEU 60 1HD2 LEU 60 -15.069 6.742 4.405 439 HD23 LEU 60 2HD2 LEU 60 -14.505 5.168 3.853 440 H VAL 61 H VAL 61 -9.080 6.119 1.765 441 HA VAL 61 HA VAL 61 -8.598 3.356 1.174 442 HB VAL 61 HB VAL 61 -7.244 5.795 -0.103 443 HG11 VAL 61 1HG1 VAL 61 -7.644 2.969 -1.172 444 HG12 VAL 61 2HG1 VAL 61 -6.120 3.664 -0.621 445 HG13 VAL 61 3HG1 VAL 61 -6.912 4.317 -2.051 446 HG21 VAL 61 3HG2 VAL 61 -9.696 6.005 -0.262 447 HG22 VAL 61 1HG2 VAL 61 -9.813 4.375 -0.934 448 HG23 VAL 61 2HG2 VAL 61 -9.004 5.651 -1.848 449 H VAL 62 H VAL 62 -6.632 5.966 2.515 450 HA VAL 62 HA VAL 62 -4.128 4.585 2.566 451 HB VAL 62 HB VAL 62 -5.124 7.105 3.988 452 HG11 VAL 62 1HG1 VAL 62 -2.311 5.958 4.055 453 HG12 VAL 62 2HG1 VAL 62 -3.395 6.168 5.427 454 HG13 VAL 62 3HG1 VAL 62 -2.749 7.583 4.597 455 HG21 VAL 62 3HG2 VAL 62 -3.625 8.282 2.393 456 HG22 VAL 62 1HG2 VAL 62 -4.841 7.321 1.551 457 HG23 VAL 62 2HG2 VAL 62 -3.181 6.735 1.666 458 H SER 63 H SER 63 -6.732 5.118 4.936 459 HA SER 63 HA SER 63 -5.540 3.829 7.150 460 HB2 SER 63 1HB SER 63 -7.521 5.286 7.386 461 HB3 SER 63 2HB SER 63 -8.498 4.130 6.479 462 HG SER 63 HG SER 63 -7.121 3.118 8.681 463 H GLU 64 H GLU 64 -7.700 2.648 4.580 464 HA GLU 64 HA GLU 64 -7.992 -0.003 5.491 465 HB2 GLU 64 1HB GLU 64 -9.498 1.044 3.824 466 HB3 GLU 64 2HB GLU 64 -8.180 1.091 2.656 467 HG2 GLU 64 1HG GLU 64 -8.115 -1.381 2.619 468 HG3 GLU 64 2HG GLU 64 -9.413 -1.438 3.814 469 H LEU 65 H LEU 65 -5.720 1.448 3.185 470 HA LEU 65 HA LEU 65 -4.173 -0.757 2.486 471 HB2 LEU 65 1HB LEU 65 -3.920 1.444 1.416 472 HB3 LEU 65 2HB LEU 65 -3.331 2.140 2.917 473 HG LEU 65 HG LEU 65 -1.322 0.587 2.754 474 HD11 LEU 65 1HD1 LEU 65 -2.348 0.034 -0.041 475 HD12 LEU 65 2HD1 LEU 65 -2.222 -1.130 1.281 476 HD13 LEU 65 3HD1 LEU 65 -0.764 -0.422 0.592 477 HD21 LEU 65 3HD2 LEU 65 -1.654 2.551 0.467 478 HD22 LEU 65 1HD2 LEU 65 -0.126 1.941 1.107 479 HD23 LEU 65 2HD2 LEU 65 -1.158 2.954 2.113 480 H SER 66 H SER 66 -3.815 1.496 5.220 481 HA SER 66 HA SER 66 -1.522 0.336 6.391 482 HB2 SER 66 1HB SER 66 -2.198 2.665 6.826 483 HB3 SER 66 2HB SER 66 -3.648 2.109 7.655 484 HG SER 66 HG SER 66 -1.249 1.071 8.603 485 H LEU 67 H LEU 67 -4.924 -0.532 6.611 486 HA LEU 67 HA LEU 67 -4.805 -2.076 9.005 487 HB2 LEU 67 1HB LEU 67 -6.665 -2.410 6.617 488 HB3 LEU 67 2HB LEU 67 -6.876 -3.199 8.172 489 HG LEU 67 HG LEU 67 -7.049 -0.205 7.658 490 HD11 LEU 67 1HD1 LEU 67 -9.233 -2.184 8.338 491 HD12 LEU 67 2HD1 LEU 67 -8.996 -1.376 6.787 492 HD13 LEU 67 3HD1 LEU 67 -9.430 -0.433 8.209 493 HD21 LEU 67 3HD2 LEU 67 -7.451 -1.708 10.261 494 HD22 LEU 67 1HD2 LEU 67 -7.794 0.006 9.997 495 HD23 LEU 67 2HD2 LEU 67 -6.140 -0.586 9.890 496 H LYS 68 H LYS 68 -4.602 -3.014 5.542 497 HA LYS 68 HA LYS 68 -3.859 -5.743 6.121 498 HB2 LYS 68 1HB LYS 68 -4.113 -4.124 3.585 499 HB3 LYS 68 2HB LYS 68 -3.198 -5.623 3.522 500 HG2 LYS 68 1HG LYS 68 -5.440 -6.098 2.801 501 HG3 LYS 68 2HG LYS 68 -5.207 -6.852 4.373 502 HD2 LYS 68 1HD LYS 68 -7.398 -5.902 4.437 503 HD3 LYS 68 2HD LYS 68 -6.388 -4.818 5.394 504 HE2 LYS 68 1HE LYS 68 -7.876 -3.507 3.982 505 HE3 LYS 68 2HE LYS 68 -6.220 -3.292 3.424 506 HZ1 LYS 68 3HZ LYS 68 -6.651 -4.840 1.646 507 HZ2 LYS 68 1HZ LYS 68 -7.779 -3.583 1.611 508 HZ3 LYS 68 2HZ LYS 68 -8.226 -5.098 2.205 509 H LEU 69 H LEU 69 -2.041 -2.781 5.664 510 HA LEU 69 HA LEU 69 0.524 -3.966 5.290 511 HB2 LEU 69 1HB LEU 69 -0.317 -1.246 6.334 512 HB3 LEU 69 2HB LEU 69 1.366 -1.718 6.241 513 HG LEU 69 HG LEU 69 -0.542 -1.345 3.911 514 HD11 LEU 69 1HD1 LEU 69 1.018 0.431 3.226 515 HD12 LEU 69 2HD1 LEU 69 1.990 0.146 4.672 516 HD13 LEU 69 3HD1 LEU 69 0.339 0.753 4.821 517 HD21 LEU 69 3HD2 LEU 69 1.359 -1.902 2.438 518 HD22 LEU 69 1HD2 LEU 69 0.852 -3.277 3.417 519 HD23 LEU 69 2HD2 LEU 69 2.309 -2.376 3.849 520 H ARG 70 H ARG 70 -1.241 -2.831 8.153 521 HA ARG 70 HA ARG 70 0.677 -3.451 10.123 522 HB2 ARG 70 1HB ARG 70 -1.184 -1.905 10.513 523 HB3 ARG 70 2HB ARG 70 -2.354 -3.188 10.287 524 HG2 ARG 70 1HG ARG 70 -0.366 -3.347 12.564 525 HG3 ARG 70 2HG ARG 70 -1.786 -2.316 12.699 526 HD2 ARG 70 1HD ARG 70 -3.156 -4.420 12.091 527 HD3 ARG 70 2HD ARG 70 -1.680 -5.329 12.437 528 HE ARG 70 HE ARG 70 -2.446 -3.520 14.548 529 HH11 ARG 70 1HH1 ARG 70 -2.859 -6.789 13.322 530 HH12 ARG 70 2HH1 ARG 70 -3.540 -7.382 14.800 531 HH21 ARG 70 1HH2 ARG 70 -3.357 -4.329 16.480 532 HH22 ARG 70 2HH2 ARG 70 -3.809 -5.998 16.583 533 H LYS 71 H LYS 71 -1.954 -5.316 8.687 534 HA LYS 71 HA LYS 71 -1.905 -7.465 10.545 535 HB2 LYS 71 1HB LYS 71 -3.923 -6.881 9.247 536 HB3 LYS 71 2HB LYS 71 -3.100 -7.303 7.752 537 HG2 LYS 71 1HG LYS 71 -4.675 -9.065 8.469 538 HG3 LYS 71 2HG LYS 71 -3.013 -9.652 8.395 539 HD2 LYS 71 1HD LYS 71 -2.845 -9.350 10.888 540 HD3 LYS 71 2HD LYS 71 -4.548 -8.890 10.913 541 HE2 LYS 71 1HE LYS 71 -5.194 -11.109 10.118 542 HE3 LYS 71 2HE LYS 71 -3.500 -11.569 9.931 543 HZ1 LYS 71 3HZ LYS 71 -3.216 -11.331 12.323 544 HZ2 LYS 71 1HZ LYS 71 -4.424 -12.460 11.969 545 HZ3 LYS 71 2HZ LYS 71 -4.842 -10.908 12.496 546 H GLU 72 H GLU 72 -0.477 -7.002 7.317 547 HA GLU 72 HA GLU 72 0.512 -9.783 7.315 548 HB2 GLU 72 1HB GLU 72 0.354 -7.822 4.993 549 HB3 GLU 72 2HB GLU 72 0.696 -9.552 4.900 550 HG2 GLU 72 1HG GLU 72 -1.597 -9.999 5.843 551 HG3 GLU 72 2HG GLU 72 -1.924 -8.269 5.757 552 H PHE 73 H PHE 73 1.670 -6.471 6.687 553 HA PHE 73 HA PHE 73 4.464 -7.414 6.520 554 HB2 PHE 73 1HB PHE 73 3.251 -4.701 5.840 555 HB3 PHE 73 2HB PHE 73 4.921 -5.184 5.550 556 HD1 PHE 73 HD1 PHE 73 5.441 -6.907 3.803 557 HD2 PHE 73 HD2 PHE 73 1.466 -5.403 4.329 558 HE1 PHE 73 HE1 PHE 73 4.814 -7.771 1.591 559 HE2 PHE 73 HE2 PHE 73 0.855 -6.275 2.107 560 HZ PHE 73 HZ PHE 73 2.532 -7.447 0.739 561 H GLY 74 H GLY 74 2.353 -6.036 8.790 562 HA2 GLY 74 1HA GLY 74 2.695 -5.351 10.961 563 HA3 GLY 74 2HA GLY 74 4.424 -5.551 10.735 564 H VAL 75 H VAL 75 3.033 -3.552 8.347 565 HA VAL 75 HA VAL 75 4.494 -1.249 9.385 566 HB VAL 75 HB VAL 75 3.026 -1.569 6.724 567 HG11 VAL 75 1HG1 VAL 75 4.445 0.294 5.928 568 HG12 VAL 75 2HG1 VAL 75 5.107 0.483 7.555 569 HG13 VAL 75 3HG1 VAL 75 3.394 0.784 7.254 570 HG21 VAL 75 3HG2 VAL 75 4.782 -3.266 6.929 571 HG22 VAL 75 1HG2 VAL 75 5.971 -2.023 7.327 572 HG23 VAL 75 2HG2 VAL 75 5.231 -2.060 5.725 573 H THR 76 H THR 76 3.413 -0.027 10.844 574 HA THR 76 HA THR 76 0.911 1.286 10.121 575 HB THR 76 HB THR 76 0.084 -0.698 11.349 576 HG1 THR 76 HG1 THR 76 -0.937 0.573 13.148 577 HG21 THR 76 3HG2 THR 76 2.039 -1.198 12.760 578 HG22 THR 76 1HG2 THR 76 0.583 -1.035 13.743 579 HG23 THR 76 2HG2 THR 76 1.760 0.279 13.689 580 H GLY 77 H GLY 77 0.387 3.019 11.857 581 HA2 GLY 77 1HA GLY 77 1.026 4.925 12.977 582 HA3 GLY 77 2HA GLY 77 2.554 4.151 13.376 583 H VAL 78 H VAL 78 1.418 4.437 10.085 584 HA VAL 78 HA VAL 78 3.599 6.347 9.404 585 HB VAL 78 HB VAL 78 4.038 4.968 7.339 586 HG11 VAL 78 1HG1 VAL 78 4.406 3.406 9.924 587 HG12 VAL 78 2HG1 VAL 78 5.490 4.649 9.296 588 HG13 VAL 78 3HG1 VAL 78 5.292 3.132 8.418 589 HG21 VAL 78 3HG2 VAL 78 2.182 2.914 8.618 590 HG22 VAL 78 1HG2 VAL 78 3.146 2.666 7.160 591 HG23 VAL 78 2HG2 VAL 78 1.839 3.848 7.162 592 H ASP 79 H ASP 79 0.546 6.471 9.683 593 HA ASP 79 HA ASP 79 -0.857 6.546 7.309 594 HB2 ASP 79 1HB ASP 79 -1.960 6.686 9.462 595 HB3 ASP 79 2HB ASP 79 -1.165 8.210 9.834 596 H ASP 80 H ASP 80 1.084 9.121 8.733 597 HA ASP 80 HA ASP 80 0.345 11.224 6.945 598 HB2 ASP 80 1HB ASP 80 2.868 10.998 8.649 599 HB3 ASP 80 2HB ASP 80 2.159 12.484 8.007 600 H GLU 81 H GLU 81 2.981 8.920 7.087 601 HA GLU 81 HA GLU 81 4.531 9.888 4.899 602 HB2 GLU 81 1HB GLU 81 5.364 8.487 6.812 603 HB3 GLU 81 2HB GLU 81 4.446 7.125 6.187 604 HG2 GLU 81 1HG GLU 81 5.852 7.205 4.107 605 HG3 GLU 81 2HG GLU 81 6.815 8.481 4.855 606 H LEU 82 H LEU 82 1.878 7.576 5.228 607 HA LEU 82 HA LEU 82 1.944 6.532 2.555 608 HB2 LEU 82 1HB LEU 82 -0.259 6.523 4.640 609 HB3 LEU 82 2HB LEU 82 -0.361 5.675 3.108 610 HG LEU 82 HG LEU 82 1.624 5.053 5.336 611 HD11 LEU 82 1HD1 LEU 82 0.314 2.982 5.652 612 HD12 LEU 82 2HD1 LEU 82 -0.844 3.523 4.435 613 HD13 LEU 82 3HD1 LEU 82 -0.671 4.416 5.947 614 HD21 LEU 82 3HD2 LEU 82 1.138 3.598 2.715 615 HD22 LEU 82 1HD2 LEU 82 2.212 3.067 4.013 616 HD23 LEU 82 2HD2 LEU 82 2.570 4.544 3.125 617 H ASP 83 H ASP 83 0.399 9.250 4.137 618 HA ASP 83 HA ASP 83 -1.352 9.993 1.987 619 HB2 ASP 83 1HB ASP 83 -1.708 10.727 4.354 620 HB3 ASP 83 2HB ASP 83 -0.238 11.691 4.270 621 H LEU 84 H LEU 84 1.984 10.654 2.869 622 HA LEU 84 HA LEU 84 2.452 12.833 1.073 623 HB2 LEU 84 1HB LEU 84 3.704 12.328 3.218 624 HB3 LEU 84 2HB LEU 84 4.474 10.983 2.409 625 HG LEU 84 HG LEU 84 5.814 13.201 2.718 626 HD11 LEU 84 1HD1 LEU 84 5.771 12.009 -0.060 627 HD12 LEU 84 2HD1 LEU 84 6.661 11.381 1.325 628 HD13 LEU 84 3HD1 LEU 84 7.076 12.957 0.657 629 HD21 LEU 84 3HD2 LEU 84 4.072 14.742 1.954 630 HD22 LEU 84 1HD2 LEU 84 4.167 14.061 0.328 631 HD23 LEU 84 2HD2 LEU 84 5.551 14.917 1.013 632 H LEU 85 H LEU 85 2.269 9.412 0.651 633 HA LEU 85 HA LEU 85 3.979 8.920 -1.511 634 HB2 LEU 85 1HB LEU 85 1.291 7.686 -0.847 635 HB3 LEU 85 2HB LEU 85 2.350 7.072 -2.111 636 HG LEU 85 HG LEU 85 3.058 7.194 0.842 637 HD11 LEU 85 1HD1 LEU 85 1.297 5.559 0.429 638 HD12 LEU 85 2HD1 LEU 85 2.819 4.756 0.809 639 HD13 LEU 85 3HD1 LEU 85 2.254 4.825 -0.864 640 HD21 LEU 85 3HD2 LEU 85 5.052 7.390 -0.564 641 HD22 LEU 85 1HD2 LEU 85 4.562 5.972 -1.502 642 HD23 LEU 85 2HD2 LEU 85 4.997 5.806 0.198 643 H GLU 86 H GLU 86 3.921 9.367 -3.613 644 HA GLU 86 HA GLU 86 1.454 10.404 -4.878 645 HB2 GLU 86 1HB GLU 86 3.106 12.238 -4.363 646 HB3 GLU 86 2HB GLU 86 4.299 11.404 -5.353 647 HG2 GLU 86 1HG GLU 86 2.803 11.687 -7.336 648 HG3 GLU 86 2HG GLU 86 1.685 12.603 -6.324 649 H THR 87 H THR 87 3.869 7.988 -4.872 650 HA THR 87 HA THR 87 2.975 7.056 -7.520 651 HB THR 87 HB THR 87 5.286 6.235 -8.104 652 HG1 THR 87 HG1 THR 87 6.012 7.779 -5.826 653 HG21 THR 87 3HG2 THR 87 6.250 8.378 -8.822 654 HG22 THR 87 1HG2 THR 87 5.176 9.252 -7.726 655 HG23 THR 87 2HG2 THR 87 4.508 8.373 -9.105 656 H VAL 88 H VAL 88 3.189 4.819 -7.881 657 HA VAL 88 HA VAL 88 2.454 3.178 -5.661 658 HB VAL 88 HB VAL 88 3.328 2.108 -8.380 659 HG11 VAL 88 1HG1 VAL 88 1.179 1.113 -6.487 660 HG12 VAL 88 2HG1 VAL 88 2.790 0.429 -6.666 661 HG13 VAL 88 3HG1 VAL 88 1.657 0.361 -8.015 662 HG21 VAL 88 3HG2 VAL 88 1.064 2.463 -9.262 663 HG22 VAL 88 1HG2 VAL 88 1.864 3.987 -8.877 664 HG23 VAL 88 2HG2 VAL 88 0.626 3.345 -7.796 665 H ASP 89 H ASP 89 5.355 3.559 -7.640 666 HA ASP 89 HA ASP 89 6.863 1.381 -6.670 667 HB2 ASP 89 1HB ASP 89 7.209 2.762 -8.819 668 HB3 ASP 89 2HB ASP 89 8.024 3.952 -7.813 669 H GLU 90 H GLU 90 6.421 4.674 -5.536 670 HA GLU 90 HA GLU 90 8.482 4.736 -3.583 671 HB2 GLU 90 1HB GLU 90 7.180 6.742 -4.495 672 HB3 GLU 90 2HB GLU 90 5.838 6.251 -3.470 673 HG2 GLU 90 1HG GLU 90 6.991 7.987 -2.317 674 HG3 GLU 90 2HG GLU 90 7.371 6.487 -1.475 675 H LEU 91 H LEU 91 5.009 3.800 -3.456 676 HA LEU 91 HA LEU 91 4.905 3.119 -0.709 677 HB2 LEU 91 1HB LEU 91 2.842 3.334 -1.974 678 HB3 LEU 91 2HB LEU 91 3.296 2.004 -3.030 679 HG LEU 91 HG LEU 91 3.121 0.417 -1.096 680 HD11 LEU 91 1HD1 LEU 91 3.601 1.959 0.758 681 HD12 LEU 91 2HD1 LEU 91 2.095 1.085 1.016 682 HD13 LEU 91 3HD1 LEU 91 2.052 2.769 0.495 683 HD21 LEU 91 3HD2 LEU 91 1.202 0.703 -2.571 684 HD22 LEU 91 1HD2 LEU 91 0.609 2.034 -1.573 685 HD23 LEU 91 2HD2 LEU 91 0.681 0.396 -0.916 686 H PHE 92 H PHE 92 5.785 1.155 -3.556 687 HA PHE 92 HA PHE 92 6.101 -1.340 -2.352 688 HB2 PHE 92 1HB PHE 92 7.493 -0.073 -4.742 689 HB3 PHE 92 2HB PHE 92 7.906 -1.704 -4.219 690 HD1 PHE 92 HD2 PHE 92 5.560 -3.099 -3.650 691 HD2 PHE 92 HD1 PHE 92 6.049 -0.096 -6.651 692 HE1 PHE 92 HE2 PHE 92 3.693 -4.037 -4.920 693 HE2 PHE 92 HE1 PHE 92 4.183 -1.054 -7.912 694 HZ PHE 92 HZ PHE 92 2.993 -3.028 -7.038 695 H GLN 93 H GLN 93 8.501 1.268 -2.727 696 HA GLN 93 HA GLN 93 10.599 -0.034 -1.305 697 HB2 GLN 93 1HB GLN 93 10.147 2.887 -2.017 698 HB3 GLN 93 2HB GLN 93 11.636 2.271 -1.295 699 HG2 GLN 93 1HG GLN 93 12.010 0.824 -3.256 700 HG3 GLN 93 2HG GLN 93 10.497 1.381 -3.970 701 HE21 GLN 93 2HE2 GLN 93 11.595 2.130 -5.826 702 HE22 GLN 93 1HE2 GLN 93 12.561 3.563 -5.800 703 H LEU 94 H LEU 94 8.023 2.198 -0.302 704 HA LEU 94 HA LEU 94 8.905 2.927 2.256 705 HB2 LEU 94 1HB LEU 94 7.022 3.985 1.029 706 HB3 LEU 94 2HB LEU 94 6.047 2.549 1.255 707 HG LEU 94 HG LEU 94 7.017 4.175 3.643 708 HD11 LEU 94 1HD1 LEU 94 4.908 5.429 3.613 709 HD12 LEU 94 2HD1 LEU 94 4.457 4.659 2.088 710 HD13 LEU 94 3HD1 LEU 94 5.852 5.736 2.159 711 HD21 LEU 94 3HD2 LEU 94 5.016 3.267 4.777 712 HD22 LEU 94 1HD2 LEU 94 6.053 1.968 4.196 713 HD23 LEU 94 2HD2 LEU 94 4.579 2.375 3.318 714 H VAL 95 H VAL 95 6.664 0.351 1.323 715 HA VAL 95 HA VAL 95 6.273 -0.809 3.850 716 HB VAL 95 HB VAL 95 5.983 -2.053 1.074 717 HG11 VAL 95 1HG1 VAL 95 4.842 -3.014 3.728 718 HG12 VAL 95 2HG1 VAL 95 6.088 -3.822 2.777 719 HG13 VAL 95 3HG1 VAL 95 4.449 -3.687 2.141 720 HG21 VAL 95 3HG2 VAL 95 3.933 -0.701 2.872 721 HG22 VAL 95 1HG2 VAL 95 3.582 -1.478 1.328 722 HG23 VAL 95 2HG2 VAL 95 4.603 -0.042 1.378 723 H GLU 96 H GLU 96 8.559 -1.547 1.226 724 HA GLU 96 HA GLU 96 9.774 -3.857 2.219 725 HB2 GLU 96 1HB GLU 96 10.013 -2.903 -0.089 726 HB3 GLU 96 2HB GLU 96 11.046 -1.637 0.553 727 HG2 GLU 96 1HG GLU 96 11.782 -4.568 0.815 728 HG3 GLU 96 2HG GLU 96 12.139 -3.665 -0.651 729 H LYS 97 H LYS 97 10.515 -0.429 2.862 730 HA LYS 97 HA LYS 97 12.875 -0.878 4.374 731 HB2 LYS 97 1HB LYS 97 11.015 1.525 4.340 732 HB3 LYS 97 2HB LYS 97 12.570 1.494 5.165 733 HG2 LYS 97 1HG LYS 97 12.079 1.290 2.186 734 HG3 LYS 97 2HG LYS 97 12.830 2.627 3.057 735 HD2 LYS 97 1HD LYS 97 14.735 1.162 3.654 736 HD3 LYS 97 2HD LYS 97 13.976 -0.184 2.797 737 HE2 LYS 97 1HE LYS 97 15.707 0.813 1.404 738 HE3 LYS 97 2HE LYS 97 14.122 1.106 0.683 739 HZ1 LYS 97 3HZ LYS 97 15.616 3.049 0.674 740 HZ2 LYS 97 1HZ LYS 97 15.575 3.071 2.365 741 HZ3 LYS 97 2HZ LYS 97 14.160 3.338 1.480 742 H HIS 98 H HIS 98 9.503 -0.316 5.368 743 HA HIS 98 HA HIS 98 10.060 -0.508 8.194 744 HB2 HIS 98 1HB HIS 98 7.459 -0.449 6.613 745 HB3 HIS 98 2HB HIS 98 7.503 -0.556 8.371 746 HD1 HIS 98 HD1 HIS 98 8.399 1.541 9.665 747 HD2 HIS 98 HD2 HIS 98 7.908 2.126 5.582 748 HE1 HIS 98 HE1 HIS 98 8.495 4.026 9.319 749 HE2 HIS 98 HE2 HIS 98 8.154 4.346 6.848 750 H ARG 99 H ARG 99 9.507 -2.817 5.726 751 HA ARG 99 HA ARG 99 8.484 -4.954 7.414 752 HB2 ARG 99 1HB ARG 99 7.841 -4.751 5.024 753 HB3 ARG 99 2HB ARG 99 9.520 -4.964 4.548 754 HG2 ARG 99 1HG ARG 99 9.458 -7.273 5.493 755 HG3 ARG 99 2HG ARG 99 7.748 -7.042 5.875 756 HD2 ARG 99 1HD ARG 99 7.317 -6.626 3.433 757 HD3 ARG 99 2HD ARG 99 9.012 -7.013 3.112 758 HE ARG 99 HE ARG 99 7.918 -9.155 4.529 759 HH11 ARG 99 1HH1 ARG 99 7.511 -7.667 1.364 760 HH12 ARG 99 2HH1 ARG 99 6.938 -9.130 0.625 761 HH21 ARG 99 1HH2 ARG 99 7.192 -11.063 3.515 762 HH22 ARG 99 2HH2 ARG 99 6.760 -11.031 1.833 763 H ALA 100 H ALA 100 11.486 -4.344 5.576 764 HA ALA 100 HA ALA 100 12.894 -6.617 6.592 765 HB1 ALA 100 3HB ALA 100 13.314 -5.707 4.351 766 HB2 ALA 100 1HB ALA 100 14.798 -5.727 5.307 767 HB3 ALA 100 2HB ALA 100 13.924 -4.212 5.056 768 H ALA 101 H ALA 101 12.673 -3.229 7.532 769 HA ALA 101 HA ALA 101 14.494 -3.731 9.823 770 HB1 ALA 101 3HB ALA 101 15.041 -1.727 8.491 771 HB2 ALA 101 1HB ALA 101 14.540 -1.287 10.128 772 HB3 ALA 101 2HB ALA 101 13.426 -1.080 8.774 773 H GLY 102 H GLY 102 13.127 -4.945 11.079 774 HA2 GLY 102 1HA GLY 102 10.424 -4.231 11.717 775 HA3 GLY 102 2HA GLY 102 11.397 -5.460 12.508 776 H SER 103 H SER 103 10.862 -1.968 12.323 777 HA SER 103 HA SER 103 11.234 -1.552 15.152 778 HB2 SER 103 1HB SER 103 13.165 0.115 14.756 779 HB3 SER 103 2HB SER 103 13.591 -1.587 14.580 780 HG SER 103 HG SER 103 12.717 -0.474 12.245 Start of MODEL 6 1 H1 MET 1 1H MET 1 2.235 18.692 22.959 2 H2 MET 1 2H MET 1 3.044 17.323 22.391 3 H3 MET 1 3H MET 1 2.374 18.421 21.302 4 HA MET 1 HA MET 1 3.877 20.123 21.976 5 HB2 MET 1 1HB MET 1 5.031 17.974 23.809 6 HB3 MET 1 2HB MET 1 5.789 19.531 23.501 7 HG2 MET 1 1HG MET 1 3.924 20.693 24.539 8 HG3 MET 1 2HG MET 1 3.059 19.171 24.754 9 HE1 MET 1 3HE MET 1 2.744 19.807 27.359 10 HE2 MET 1 1HE MET 1 3.666 21.303 27.131 11 HE3 MET 1 2HE MET 1 4.091 20.185 28.425 12 H GLY 2 H GLY 2 5.599 16.968 22.129 13 HA2 GLY 2 1HA GLY 2 7.179 17.576 19.780 14 HA3 GLY 2 2HA GLY 2 7.248 16.119 20.763 15 H SER 3 H SER 3 5.451 17.746 18.197 16 HA SER 3 HA SER 3 4.356 15.170 17.229 17 HB2 SER 3 1HB SER 3 2.652 16.392 18.630 18 HB3 SER 3 2HB SER 3 2.763 17.767 17.531 19 HG SER 3 HG SER 3 2.290 15.800 15.956 20 H SER 4 H SER 4 6.598 16.978 16.362 21 HA SER 4 HA SER 4 5.689 18.158 13.846 22 HB2 SER 4 1HB SER 4 8.118 18.895 13.695 23 HB3 SER 4 2HB SER 4 7.257 19.483 15.117 24 HG SER 4 HG SER 4 9.097 17.327 14.978 25 H HIS 5 H HIS 5 5.251 16.578 12.356 26 HA HIS 5 HA HIS 5 7.093 14.422 11.734 27 HB2 HIS 5 1HB HIS 5 4.680 15.545 10.238 28 HB3 HIS 5 2HB HIS 5 5.623 14.176 9.662 29 HD1 HIS 5 HD1 HIS 5 2.565 14.092 10.389 30 HD2 HIS 5 HD2 HIS 5 5.676 12.754 12.794 31 HE1 HIS 5 HE1 HIS 5 1.563 12.349 11.885 32 HE2 HIS 5 HE2 HIS 5 3.502 11.423 13.184 33 H ASP 6 H ASP 6 8.948 14.728 10.629 34 HA ASP 6 HA ASP 6 9.263 17.026 8.799 35 HB2 ASP 6 1HB ASP 6 11.665 16.585 8.844 36 HB3 ASP 6 2HB ASP 6 11.079 16.649 10.500 37 H HIS 7 H HIS 7 9.894 16.683 6.653 38 HA HIS 7 HA HIS 7 9.286 14.022 5.504 39 HB2 HIS 7 1HB HIS 7 8.789 15.361 3.368 40 HB3 HIS 7 2HB HIS 7 7.658 15.573 4.698 41 HD1 HIS 7 HD1 HIS 7 7.270 17.925 5.499 42 HD2 HIS 7 HD2 HIS 7 10.565 17.679 2.985 43 HE1 HIS 7 HE1 HIS 7 7.962 20.289 5.055 44 HE2 HIS 7 HE2 HIS 7 9.958 20.117 3.535 45 H HIS 8 H HIS 8 11.672 13.844 6.379 46 HA HIS 8 HA HIS 8 13.759 14.917 4.755 47 HB2 HIS 8 1HB HIS 8 14.161 14.066 7.074 48 HB3 HIS 8 2HB HIS 8 13.885 12.422 6.503 49 HD1 HIS 8 HD1 HIS 8 15.752 11.338 5.056 50 HD2 HIS 8 HD2 HIS 8 16.637 15.195 6.326 51 HE1 HIS 8 HE1 HIS 8 18.181 11.688 4.526 52 HE2 HIS 8 HE2 HIS 8 18.693 14.016 5.329 53 H HIS 9 H HIS 9 13.521 14.578 2.638 54 HA HIS 9 HA HIS 9 12.940 11.883 1.578 55 HB2 HIS 9 1HB HIS 9 12.350 13.065 -0.540 56 HB3 HIS 9 2HB HIS 9 11.367 13.582 0.819 57 HD1 HIS 9 HD1 HIS 9 13.971 14.809 -1.578 58 HD2 HIS 9 HD2 HIS 9 11.689 16.299 1.558 59 HE1 HIS 9 HE1 HIS 9 14.230 17.299 -1.679 60 HE2 HIS 9 HE2 HIS 9 12.977 18.163 0.321 61 H HIS 10 H HIS 10 14.461 10.758 0.637 62 HA HIS 10 HA HIS 10 16.665 11.819 -0.884 63 HB2 HIS 10 1HB HIS 10 17.583 12.052 1.431 64 HB3 HIS 10 2HB HIS 10 17.275 10.346 1.731 65 HD1 HIS 10 HD1 HIS 10 19.050 8.707 0.938 66 HD2 HIS 10 HD2 HIS 10 19.742 12.570 -0.412 67 HE1 HIS 10 HE1 HIS 10 21.341 8.667 -0.071 68 HE2 HIS 10 HE2 HIS 10 21.778 11.035 -0.786 69 H SER 11 H SER 11 15.040 9.108 0.672 70 HA SER 11 HA SER 11 15.986 7.004 -0.966 71 HB2 SER 11 1HB SER 11 13.282 7.250 0.442 72 HB3 SER 11 2HB SER 11 14.031 5.755 -0.121 73 HG SER 11 HG SER 11 15.388 7.434 1.689 74 H SER 12 H SER 12 15.732 6.888 -3.130 75 HA SER 12 HA SER 12 13.209 7.770 -4.401 76 HB2 SER 12 1HB SER 12 16.025 8.379 -5.421 77 HB3 SER 12 2HB SER 12 14.523 8.757 -6.270 78 HG SER 12 HG SER 12 14.269 9.751 -3.845 79 H GLY 13 H GLY 13 12.639 6.690 -6.277 80 HA2 GLY 13 1HA GLY 13 13.046 3.902 -6.237 81 HA3 GLY 13 2HA GLY 13 12.171 4.805 -7.449 82 H ARG 14 H ARG 14 14.576 2.708 -7.105 83 HA ARG 14 HA ARG 14 16.631 3.882 -8.800 84 HB2 ARG 14 1HB ARG 14 16.508 0.991 -7.836 85 HB3 ARG 14 2HB ARG 14 17.936 1.938 -8.247 86 HG2 ARG 14 1HG ARG 14 17.710 3.256 -6.217 87 HG3 ARG 14 2HG ARG 14 16.161 2.502 -5.850 88 HD2 ARG 14 1HD ARG 14 17.419 0.281 -5.725 89 HD3 ARG 14 2HD ARG 14 18.911 1.233 -5.765 90 HE ARG 14 HE ARG 14 16.909 1.904 -3.730 91 HH11 ARG 14 1HH1 ARG 14 19.991 0.355 -4.416 92 HH12 ARG 14 2HH1 ARG 14 20.435 0.258 -2.742 93 HH21 ARG 14 1HH2 ARG 14 17.510 1.741 -1.556 94 HH22 ARG 14 2HH2 ARG 14 19.041 1.038 -1.133 95 H GLU 15 H GLU 15 14.853 0.806 -8.850 96 HA GLU 15 HA GLU 15 14.284 -0.673 -10.431 97 HB2 GLU 15 1HB GLU 15 12.562 1.209 -10.657 98 HB3 GLU 15 2HB GLU 15 13.440 1.719 -12.095 99 HG2 GLU 15 1HG GLU 15 12.974 -0.443 -13.169 100 HG3 GLU 15 2HG GLU 15 12.164 -1.012 -11.712 101 H ASN 16 H ASN 16 17.007 0.272 -10.514 102 HA ASN 16 HA ASN 16 17.883 0.471 -13.273 103 HB2 ASN 16 1HB ASN 16 19.035 1.775 -11.543 104 HB3 ASN 16 2HB ASN 16 19.416 0.321 -10.636 105 HD21 ASN 16 2HD2 ASN 16 20.153 2.181 -13.508 106 HD22 ASN 16 1HD2 ASN 16 21.672 1.431 -13.851 107 H LEU 17 H LEU 17 17.637 -1.364 -14.417 108 HA LEU 17 HA LEU 17 17.669 -3.500 -15.130 109 HB2 LEU 17 1HB LEU 17 20.170 -3.518 -13.407 110 HB3 LEU 17 2HB LEU 17 19.655 -4.959 -14.266 111 HG LEU 17 HG LEU 17 19.827 -3.704 -16.433 112 HD11 LEU 17 1HD1 LEU 17 21.043 -1.578 -16.559 113 HD12 LEU 17 2HD1 LEU 17 21.097 -1.488 -14.796 114 HD13 LEU 17 3HD1 LEU 17 19.549 -1.406 -15.639 115 HD21 LEU 17 3HD2 LEU 17 22.395 -3.802 -14.817 116 HD22 LEU 17 1HD2 LEU 17 22.272 -3.785 -16.580 117 HD23 LEU 17 2HD2 LEU 17 21.650 -5.157 -15.668 118 H TYR 18 H TYR 18 15.886 -2.930 -13.145 119 HA TYR 18 HA TYR 18 15.864 -5.046 -11.126 120 HB2 TYR 18 1HB TYR 18 15.245 -2.623 -10.669 121 HB3 TYR 18 2HB TYR 18 13.833 -2.838 -11.691 122 HD1 TYR 18 HD1 TYR 18 15.436 -3.948 -8.505 123 HD2 TYR 18 HD2 TYR 18 11.808 -3.787 -10.763 124 HE1 TYR 18 HE1 TYR 18 14.171 -4.654 -6.524 125 HE2 TYR 18 HE2 TYR 18 10.552 -4.496 -8.777 126 HH TYR 18 HH TYR 18 10.966 -5.697 -6.653 127 H PHE 19 H PHE 19 15.757 -6.758 -12.752 128 HA PHE 19 HA PHE 19 13.176 -7.095 -14.158 129 HB2 PHE 19 1HB PHE 19 15.833 -8.543 -14.555 130 HB3 PHE 19 2HB PHE 19 14.364 -8.841 -15.485 131 HD1 PHE 19 HD2 PHE 19 13.311 -6.691 -16.639 132 HD2 PHE 19 HD1 PHE 19 17.404 -7.026 -15.446 133 HE1 PHE 19 HE2 PHE 19 13.923 -4.915 -18.223 134 HE2 PHE 19 HE1 PHE 19 18.004 -5.244 -17.025 135 HZ PHE 19 HZ PHE 19 16.268 -4.187 -18.417 136 H GLN 20 H GLN 20 11.785 -7.994 -12.764 137 HA GLN 20 HA GLN 20 12.530 -10.120 -10.911 138 HB2 GLN 20 1HB GLN 20 9.761 -8.983 -11.546 139 HB3 GLN 20 2HB GLN 20 10.190 -9.971 -10.152 140 HG2 GLN 20 1HG GLN 20 11.182 -7.164 -10.730 141 HG3 GLN 20 2HG GLN 20 9.954 -7.611 -9.541 142 HE21 GLN 20 2HE2 GLN 20 10.614 -8.660 -7.630 143 HE22 GLN 20 1HE2 GLN 20 12.257 -8.629 -7.093 144 H GLY 21 H GLY 21 10.035 -9.797 -13.449 145 HA2 GLY 21 1HA GLY 21 9.199 -11.176 -15.044 146 HA3 GLY 21 2HA GLY 21 10.759 -11.987 -15.046 147 H HIS 22 H HIS 22 11.063 -13.820 -13.767 148 HA HIS 22 HA HIS 22 8.623 -15.262 -12.925 149 HB2 HIS 22 1HB HIS 22 11.403 -16.247 -13.699 150 HB3 HIS 22 2HB HIS 22 10.151 -17.301 -13.044 151 HD1 HIS 22 HD1 HIS 22 8.380 -18.141 -14.631 152 HD2 HIS 22 HD2 HIS 22 10.740 -15.160 -16.321 153 HE1 HIS 22 HE1 HIS 22 7.754 -18.077 -17.061 154 HE2 HIS 22 HE2 HIS 22 9.091 -16.175 -18.028 155 H MET 23 H MET 23 10.230 -13.191 -11.370 156 HA MET 23 HA MET 23 10.200 -14.712 -8.828 157 HB2 MET 23 1HB MET 23 12.528 -14.018 -9.411 158 HB3 MET 23 2HB MET 23 12.005 -12.341 -9.528 159 HG2 MET 23 1HG MET 23 13.165 -12.780 -7.411 160 HG3 MET 23 2HG MET 23 11.483 -12.322 -7.130 161 HE1 MET 23 3HE MET 23 12.162 -14.868 -4.208 162 HE2 MET 23 1HE MET 23 11.537 -13.269 -4.612 163 HE3 MET 23 2HE MET 23 13.248 -13.634 -4.851 164 HA PRO 24 HA PRO 24 7.085 -11.277 -8.472 165 HB2 PRO 24 1HB PRO 24 4.781 -12.547 -8.919 166 HB3 PRO 24 2HB PRO 24 5.863 -12.225 -10.283 167 HG2 PRO 24 1HG PRO 24 5.348 -14.796 -8.830 168 HG3 PRO 24 2HG PRO 24 5.711 -14.527 -10.547 169 HD2 PRO 24 1HD PRO 24 7.574 -15.233 -8.458 170 HD3 PRO 24 2HD PRO 24 7.950 -14.857 -10.153 171 H ASN 25 H ASN 25 4.711 -11.817 -7.174 172 HA ASN 25 HA ASN 25 3.593 -12.281 -5.316 173 HB2 ASN 25 1HB ASN 25 4.107 -14.659 -5.708 174 HB3 ASN 25 2HB ASN 25 5.690 -14.496 -4.961 175 HD21 ASN 25 2HD2 ASN 25 2.233 -14.560 -4.353 176 HD22 ASN 25 1HD2 ASN 25 2.357 -14.942 -2.673 177 H ASP 26 H ASP 26 6.796 -13.071 -4.020 178 HA ASP 26 HA ASP 26 7.460 -12.489 -1.807 179 HB2 ASP 26 1HB ASP 26 9.158 -12.168 -3.557 180 HB3 ASP 26 2HB ASP 26 8.588 -10.525 -3.839 181 H MET 27 H MET 27 7.197 -9.212 -3.181 182 HA MET 27 HA MET 27 5.446 -8.370 -0.944 183 HB2 MET 27 1HB MET 27 6.695 -6.225 -0.782 184 HB3 MET 27 2HB MET 27 7.703 -7.600 -0.374 185 HG2 MET 27 1HG MET 27 8.813 -7.480 -2.531 186 HG3 MET 27 2HG MET 27 7.748 -6.170 -3.043 187 HE1 MET 27 3HE MET 27 8.892 -3.301 -0.549 188 HE2 MET 27 1HE MET 27 7.604 -4.473 -0.255 189 HE3 MET 27 2HE MET 27 7.775 -3.722 -1.843 190 H GLU 28 H GLU 28 6.605 -7.739 -4.259 191 HA GLU 28 HA GLU 28 5.261 -5.335 -4.688 192 HB2 GLU 28 1HB GLU 28 6.283 -7.387 -6.666 193 HB3 GLU 28 2HB GLU 28 5.663 -5.808 -7.148 194 HG2 GLU 28 1HG GLU 28 7.432 -4.688 -5.884 195 HG3 GLU 28 2HG GLU 28 8.034 -6.244 -5.303 196 H ASP 29 H ASP 29 4.396 -8.567 -5.896 197 HA ASP 29 HA ASP 29 2.001 -7.788 -7.166 198 HB2 ASP 29 1HB ASP 29 2.927 -10.522 -6.208 199 HB3 ASP 29 2HB ASP 29 1.554 -10.251 -7.281 200 H HIS 30 H HIS 30 2.688 -8.707 -3.871 201 HA HIS 30 HA HIS 30 0.004 -9.030 -2.981 202 HB2 HIS 30 1HB HIS 30 2.552 -8.298 -1.492 203 HB3 HIS 30 2HB HIS 30 1.000 -8.499 -0.687 204 HD1 HIS 30 HD1 HIS 30 3.954 -10.357 -1.542 205 HD2 HIS 30 HD2 HIS 30 -0.093 -11.253 -1.178 206 HE1 HIS 30 HE1 HIS 30 3.831 -12.832 -1.204 207 HE2 HIS 30 HE2 HIS 30 1.393 -13.340 -0.886 208 H LEU 31 H LEU 31 2.209 -6.157 -3.053 209 HA LEU 31 HA LEU 31 0.272 -4.305 -2.070 210 HB2 LEU 31 1HB LEU 31 2.879 -3.907 -3.532 211 HB3 LEU 31 2HB LEU 31 1.794 -2.549 -3.311 212 HG LEU 31 HG LEU 31 1.924 -3.115 -0.760 213 HD11 LEU 31 1HD1 LEU 31 3.029 -5.286 -0.945 214 HD12 LEU 31 2HD1 LEU 31 3.983 -4.158 0.014 215 HD13 LEU 31 3HD1 LEU 31 4.452 -4.518 -1.652 216 HD21 LEU 31 3HD2 LEU 31 4.355 -1.947 -2.156 217 HD22 LEU 31 1HD2 LEU 31 3.892 -1.687 -0.474 218 HD23 LEU 31 2HD2 LEU 31 2.870 -1.077 -1.769 219 H LEU 32 H LEU 32 0.957 -5.523 -5.301 220 HA LEU 32 HA LEU 32 -0.647 -3.736 -6.789 221 HB2 LEU 32 1HB LEU 32 0.473 -6.475 -7.270 222 HB3 LEU 32 2HB LEU 32 -0.902 -6.030 -8.261 223 HG LEU 32 HG LEU 32 0.320 -4.090 -9.163 224 HD11 LEU 32 1HD1 LEU 32 1.736 -3.529 -7.243 225 HD12 LEU 32 2HD1 LEU 32 2.692 -3.702 -8.710 226 HD13 LEU 32 3HD1 LEU 32 2.693 -4.991 -7.502 227 HD21 LEU 32 3HD2 LEU 32 0.495 -6.238 -10.346 228 HD22 LEU 32 1HD2 LEU 32 1.923 -6.662 -9.398 229 HD23 LEU 32 2HD2 LEU 32 1.975 -5.300 -10.521 230 H THR 33 H THR 33 -1.379 -6.676 -4.993 231 HA THR 33 HA THR 33 -4.165 -6.811 -5.680 232 HB THR 33 HB THR 33 -2.725 -8.131 -3.325 233 HG1 THR 33 HG1 THR 33 -2.024 -8.495 -5.672 234 HG21 THR 33 3HG2 THR 33 -4.518 -9.842 -3.470 235 HG22 THR 33 1HG2 THR 33 -5.306 -8.921 -4.750 236 HG23 THR 33 2HG2 THR 33 -5.198 -8.251 -3.120 237 H VAL 34 H VAL 34 -2.277 -5.332 -3.084 238 HA VAL 34 HA VAL 34 -4.368 -4.686 -1.291 239 HB VAL 34 HB VAL 34 -1.636 -3.376 -1.715 240 HG11 VAL 34 1HG1 VAL 34 -3.078 -1.671 -0.744 241 HG12 VAL 34 2HG1 VAL 34 -1.956 -2.247 0.487 242 HG13 VAL 34 3HG1 VAL 34 -3.637 -2.790 0.499 243 HG21 VAL 34 3HG2 VAL 34 -1.011 -4.548 0.378 244 HG22 VAL 34 1HG2 VAL 34 -1.557 -5.686 -0.851 245 HG23 VAL 34 2HG2 VAL 34 -2.625 -5.251 0.479 246 H LEU 35 H LEU 35 -2.713 -2.631 -3.715 247 HA LEU 35 HA LEU 35 -4.334 -0.350 -3.406 248 HB2 LEU 35 1HB LEU 35 -2.600 -1.252 -5.726 249 HB3 LEU 35 2HB LEU 35 -3.366 0.326 -5.655 250 HG LEU 35 HG LEU 35 -1.279 -0.693 -3.684 251 HD11 LEU 35 1HD1 LEU 35 -1.000 1.341 -5.918 252 HD12 LEU 35 2HD1 LEU 35 -0.292 -0.275 -5.881 253 HD13 LEU 35 3HD1 LEU 35 0.239 0.941 -4.723 254 HD21 LEU 35 3HD2 LEU 35 -2.818 0.875 -2.591 255 HD22 LEU 35 1HD2 LEU 35 -2.577 2.052 -3.888 256 HD23 LEU 35 2HD2 LEU 35 -1.240 1.622 -2.818 257 H SER 36 H SER 36 -4.565 -3.128 -5.628 258 HA SER 36 HA SER 36 -6.493 -2.063 -7.364 259 HB2 SER 36 1HB SER 36 -6.797 -4.379 -8.144 260 HB3 SER 36 2HB SER 36 -5.092 -3.998 -7.954 261 HG SER 36 HG SER 36 -6.667 -5.805 -6.599 262 H VAL 37 H VAL 37 -6.899 -4.375 -4.664 263 HA VAL 37 HA VAL 37 -9.730 -4.533 -4.872 264 HB VAL 37 HB VAL 37 -7.910 -5.324 -2.548 265 HG11 VAL 37 1HG1 VAL 37 -10.792 -6.142 -3.094 266 HG12 VAL 37 2HG1 VAL 37 -10.228 -5.122 -1.771 267 HG13 VAL 37 3HG1 VAL 37 -9.759 -6.821 -1.830 268 HG21 VAL 37 3HG2 VAL 37 -9.000 -7.009 -4.849 269 HG22 VAL 37 1HG2 VAL 37 -8.042 -7.617 -3.494 270 HG23 VAL 37 2HG2 VAL 37 -7.326 -6.491 -4.644 271 H ALA 38 H ALA 38 -7.567 -2.632 -2.762 272 HA ALA 38 HA ALA 38 -9.551 -1.530 -1.057 273 HB1 ALA 38 3HB ALA 38 -7.165 -1.551 -0.445 274 HB2 ALA 38 1HB ALA 38 -7.827 0.084 -0.353 275 HB3 ALA 38 2HB ALA 38 -6.817 -0.389 -1.722 276 H SER 39 H SER 39 -8.425 -0.566 -4.253 277 HA SER 39 HA SER 39 -9.911 1.976 -4.190 278 HB2 SER 39 1HB SER 39 -8.235 0.737 -6.418 279 HB3 SER 39 2HB SER 39 -8.909 2.373 -6.416 280 HG SER 39 HG SER 39 -7.049 1.331 -4.538 281 H GLY 40 H GLY 40 -10.278 -1.293 -5.318 282 HA2 GLY 40 1HA GLY 40 -12.185 -2.353 -6.130 283 HA3 GLY 40 2HA GLY 40 -12.944 -0.790 -6.401 284 H VAL 41 H VAL 41 -9.759 -1.105 -7.632 285 HA VAL 41 HA VAL 41 -10.681 -1.408 -10.412 286 HB VAL 41 HB VAL 41 -8.494 -0.460 -11.043 287 HG11 VAL 41 1HG1 VAL 41 -9.865 1.252 -8.951 288 HG12 VAL 41 2HG1 VAL 41 -10.329 1.116 -10.649 289 HG13 VAL 41 3HG1 VAL 41 -8.779 1.840 -10.215 290 HG21 VAL 41 3HG2 VAL 41 -7.070 -1.317 -9.243 291 HG22 VAL 41 1HG2 VAL 41 -7.886 -0.275 -8.071 292 HG23 VAL 41 2HG2 VAL 41 -6.905 0.434 -9.355 293 HA PRO 42 HA PRO 42 -8.397 -5.389 -10.690 294 HB2 PRO 42 1HB PRO 42 -7.522 -4.646 -13.446 295 HB3 PRO 42 2HB PRO 42 -8.514 -6.010 -12.916 296 HG2 PRO 42 1HG PRO 42 -9.601 -3.937 -14.255 297 HG3 PRO 42 2HG PRO 42 -10.491 -4.767 -12.961 298 HD2 PRO 42 1HD PRO 42 -8.990 -2.144 -12.840 299 HD3 PRO 42 2HD PRO 42 -10.593 -2.556 -12.185 300 H LYS 43 H LYS 43 -6.219 -6.210 -10.715 301 HA LYS 43 HA LYS 43 -4.066 -4.500 -10.000 302 HB2 LYS 43 1HB LYS 43 -3.896 -7.363 -11.024 303 HB3 LYS 43 2HB LYS 43 -2.610 -6.492 -10.192 304 HG2 LYS 43 1HG LYS 43 -4.090 -6.356 -8.166 305 HG3 LYS 43 2HG LYS 43 -5.266 -7.366 -9.010 306 HD2 LYS 43 1HD LYS 43 -2.422 -8.152 -8.246 307 HD3 LYS 43 2HD LYS 43 -3.909 -8.726 -7.487 308 HE2 LYS 43 1HE LYS 43 -4.563 -9.832 -9.599 309 HE3 LYS 43 2HE LYS 43 -3.075 -9.264 -10.364 310 HZ1 LYS 43 3HZ LYS 43 -1.824 -10.513 -8.694 311 HZ2 LYS 43 1HZ LYS 43 -2.817 -11.520 -9.618 312 HZ3 LYS 43 2HZ LYS 43 -3.267 -11.102 -8.046 313 H GLU 44 H GLU 44 -5.289 -5.526 -13.038 314 HA GLU 44 HA GLU 44 -3.183 -5.146 -14.820 315 HB2 GLU 44 1HB GLU 44 -6.104 -4.373 -15.239 316 HB3 GLU 44 2HB GLU 44 -4.934 -4.750 -16.505 317 HG2 GLU 44 1HG GLU 44 -4.836 -7.090 -15.757 318 HG3 GLU 44 2HG GLU 44 -5.906 -6.728 -14.408 319 H GLU 45 H GLU 45 -5.163 -2.820 -13.095 320 HA GLU 45 HA GLU 45 -4.050 -0.495 -14.511 321 HB2 GLU 45 1HB GLU 45 -6.177 -0.533 -12.323 322 HB3 GLU 45 2HB GLU 45 -5.810 0.786 -13.430 323 HG2 GLU 45 1HG GLU 45 -7.131 -1.861 -14.103 324 HG3 GLU 45 2HG GLU 45 -7.873 -0.264 -14.108 325 H ILE 46 H ILE 46 -2.682 -2.326 -12.364 326 HA ILE 46 HA ILE 46 -1.663 -0.134 -10.633 327 HB ILE 46 HB ILE 46 -1.766 -3.079 -9.818 328 HG12 ILE 46 1HG1 ILE 46 -4.106 -2.165 -9.992 329 HG13 ILE 46 2HG1 ILE 46 -3.666 -2.587 -8.343 330 HG21 ILE 46 1HG2 ILE 46 0.001 -1.804 -8.704 331 HG22 ILE 46 2HG2 ILE 46 -1.264 -2.203 -7.541 332 HG23 ILE 46 3HG2 ILE 46 -1.158 -0.569 -8.201 333 HD11 ILE 46 3HD1 ILE 46 -4.934 -0.546 -8.402 334 HD12 ILE 46 1HD1 ILE 46 -3.775 0.192 -9.508 335 HD13 ILE 46 2HD1 ILE 46 -3.295 -0.209 -7.856 336 H SER 47 H SER 47 0.565 -0.008 -10.420 337 HA SER 47 HA SER 47 2.403 -2.006 -11.439 338 HB2 SER 47 1HB SER 47 3.446 -0.373 -13.077 339 HB3 SER 47 2HB SER 47 1.823 -0.888 -13.539 340 HG SER 47 HG SER 47 1.858 1.302 -13.761 341 H ARG 48 H ARG 48 4.758 -0.518 -11.516 342 HA ARG 48 HA ARG 48 5.165 0.221 -8.761 343 HB2 ARG 48 1HB ARG 48 7.092 0.333 -11.120 344 HB3 ARG 48 2HB ARG 48 7.540 0.700 -9.454 345 HG2 ARG 48 1HG ARG 48 6.775 -1.658 -8.856 346 HG3 ARG 48 2HG ARG 48 6.662 -1.976 -10.583 347 HD2 ARG 48 1HD ARG 48 8.787 -2.809 -9.673 348 HD3 ARG 48 2HD ARG 48 9.078 -1.504 -10.825 349 HE ARG 48 HE ARG 48 9.713 -0.079 -9.079 350 HH11 ARG 48 1HH1 ARG 48 8.806 -3.210 -7.759 351 HH12 ARG 48 2HH1 ARG 48 9.671 -2.957 -6.280 352 HH21 ARG 48 1HH2 ARG 48 10.816 0.227 -7.118 353 HH22 ARG 48 2HH2 ARG 48 10.779 -1.011 -5.901 354 H ASP 49 H ASP 49 4.174 2.019 -11.504 355 HA ASP 49 HA ASP 49 3.478 4.075 -9.645 356 HB2 ASP 49 1HB ASP 49 5.686 5.025 -10.239 357 HB3 ASP 49 2HB ASP 49 5.285 4.922 -11.959 358 H SER 50 H SER 50 1.443 3.419 -10.143 359 HA SER 50 HA SER 50 0.392 4.149 -12.814 360 HB2 SER 50 1HB SER 50 -0.107 1.838 -11.880 361 HB3 SER 50 2HB SER 50 -1.036 2.616 -10.599 362 HG SER 50 HG SER 50 -2.628 2.637 -11.969 363 H ARG 51 H ARG 51 1.173 5.875 -10.348 364 HA ARG 51 HA ARG 51 0.522 7.644 -9.155 365 HB2 ARG 51 1HB ARG 51 -1.399 7.841 -11.485 366 HB3 ARG 51 2HB ARG 51 -1.534 8.979 -10.155 367 HG2 ARG 51 1HG ARG 51 0.923 8.579 -11.889 368 HG3 ARG 51 2HG ARG 51 -0.231 9.910 -12.007 369 HD2 ARG 51 1HD ARG 51 0.351 10.475 -9.588 370 HD3 ARG 51 2HD ARG 51 1.683 9.319 -9.723 371 HE ARG 51 HE ARG 51 1.385 11.831 -11.256 372 HH11 ARG 51 1HH1 ARG 51 3.455 9.197 -10.200 373 HH12 ARG 51 2HH1 ARG 51 4.912 10.034 -10.623 374 HH21 ARG 51 1HH2 ARG 51 3.300 12.893 -11.811 375 HH22 ARG 51 2HH2 ARG 51 4.827 12.118 -11.538 376 H MET 52 H MET 52 -0.092 7.070 -7.168 377 HA MET 52 HA MET 52 -2.536 5.670 -6.581 378 HB2 MET 52 1HB MET 52 -0.514 6.977 -4.719 379 HB3 MET 52 2HB MET 52 -1.880 6.005 -4.177 380 HG2 MET 52 1HG MET 52 -0.955 4.072 -5.465 381 HG3 MET 52 2HG MET 52 0.456 5.057 -5.853 382 HE1 MET 52 3HE MET 52 2.049 5.580 -2.285 383 HE2 MET 52 1HE MET 52 0.886 6.660 -3.053 384 HE3 MET 52 2HE MET 52 2.190 5.945 -4.005 385 H GLU 53 H GLU 53 -2.018 8.869 -7.348 386 HA GLU 53 HA GLU 53 -3.806 10.276 -5.692 387 HB2 GLU 53 1HB GLU 53 -3.933 11.944 -7.469 388 HB3 GLU 53 2HB GLU 53 -2.272 11.382 -7.303 389 HG2 GLU 53 1HG GLU 53 -2.507 9.971 -9.280 390 HG3 GLU 53 2HG GLU 53 -4.211 10.392 -9.418 391 H ASP 54 H ASP 54 -4.363 8.180 -8.459 392 HA ASP 54 HA ASP 54 -7.262 8.532 -8.467 393 HB2 ASP 54 1HB ASP 54 -5.467 6.575 -9.986 394 HB3 ASP 54 2HB ASP 54 -7.203 6.753 -10.237 395 H LEU 55 H LEU 55 -4.825 6.255 -7.375 396 HA LEU 55 HA LEU 55 -6.700 4.132 -6.776 397 HB2 LEU 55 1HB LEU 55 -3.742 4.252 -6.092 398 HB3 LEU 55 2HB LEU 55 -4.747 2.815 -6.212 399 HG LEU 55 HG LEU 55 -3.984 4.605 -8.553 400 HD11 LEU 55 1HD1 LEU 55 -2.843 1.908 -7.776 401 HD12 LEU 55 2HD1 LEU 55 -2.008 3.461 -7.714 402 HD13 LEU 55 3HD1 LEU 55 -2.487 2.784 -9.268 403 HD21 LEU 55 3HD2 LEU 55 -4.904 2.819 -9.986 404 HD22 LEU 55 1HD2 LEU 55 -6.142 3.502 -8.933 405 HD23 LEU 55 2HD2 LEU 55 -5.430 1.931 -8.555 406 H ALA 56 H ALA 56 -4.081 5.181 -4.583 407 HA ALA 56 HA ALA 56 -5.977 5.034 -2.326 408 HB1 ALA 56 3HB ALA 56 -4.032 4.474 -0.931 409 HB2 ALA 56 1HB ALA 56 -2.960 4.645 -2.326 410 HB3 ALA 56 2HB ALA 56 -4.169 3.362 -2.293 411 H PHE 57 H PHE 57 -6.667 7.187 -2.724 412 HA PHE 57 HA PHE 57 -4.995 9.234 -1.472 413 HB2 PHE 57 1HB PHE 57 -4.624 9.337 -3.980 414 HB3 PHE 57 2HB PHE 57 -6.332 9.700 -4.173 415 HD1 PHE 57 HD1 PHE 57 -3.253 10.954 -2.428 416 HD2 PHE 57 HD2 PHE 57 -6.987 11.991 -4.249 417 HE1 PHE 57 HE1 PHE 57 -2.725 13.342 -2.170 418 HE2 PHE 57 HE2 PHE 57 -6.442 14.376 -3.985 419 HZ PHE 57 HZ PHE 57 -4.315 15.054 -2.947 420 H ASP 58 H ASP 58 -8.034 7.803 -2.040 421 HA ASP 58 HA ASP 58 -9.589 9.959 -0.826 422 HB2 ASP 58 1HB ASP 58 -10.687 8.539 -2.502 423 HB3 ASP 58 2HB ASP 58 -10.314 7.089 -1.578 424 H SER 59 H SER 59 -10.515 9.793 1.283 425 HA SER 59 HA SER 59 -8.748 9.149 3.316 426 HB2 SER 59 1HB SER 59 -11.768 9.455 3.541 427 HB3 SER 59 2HB SER 59 -10.596 9.678 4.845 428 HG SER 59 HG SER 59 -9.799 11.468 3.804 429 H LEU 60 H LEU 60 -11.474 7.242 2.086 430 HA LEU 60 HA LEU 60 -11.330 5.203 4.109 431 HB2 LEU 60 1HB LEU 60 -12.790 5.295 1.438 432 HB3 LEU 60 2HB LEU 60 -12.876 3.929 2.542 433 HG LEU 60 HG LEU 60 -13.824 5.527 4.299 434 HD11 LEU 60 1HD1 LEU 60 -13.121 7.666 3.338 435 HD12 LEU 60 2HD1 LEU 60 -14.865 7.618 3.571 436 HD13 LEU 60 3HD1 LEU 60 -14.186 7.414 1.954 437 HD21 LEU 60 3HD2 LEU 60 -15.241 3.935 3.068 438 HD22 LEU 60 1HD2 LEU 60 -15.497 5.133 1.796 439 HD23 LEU 60 2HD2 LEU 60 -16.105 5.426 3.427 440 H VAL 61 H VAL 61 -10.063 5.583 0.809 441 HA VAL 61 HA VAL 61 -9.221 2.855 0.522 442 HB VAL 61 HB VAL 61 -8.151 5.234 -1.079 443 HG11 VAL 61 1HG1 VAL 61 -7.687 3.535 -2.832 444 HG12 VAL 61 2HG1 VAL 61 -8.262 2.257 -1.760 445 HG13 VAL 61 3HG1 VAL 61 -6.813 3.173 -1.344 446 HG21 VAL 61 3HG2 VAL 61 -9.919 4.742 -2.733 447 HG22 VAL 61 1HG2 VAL 61 -10.621 5.181 -1.175 448 HG23 VAL 61 2HG2 VAL 61 -10.581 3.490 -1.680 449 H VAL 62 H VAL 62 -7.604 5.827 1.568 450 HA VAL 62 HA VAL 62 -4.977 4.751 1.932 451 HB VAL 62 HB VAL 62 -6.281 7.191 3.264 452 HG11 VAL 62 1HG1 VAL 62 -3.326 6.430 3.129 453 HG12 VAL 62 2HG1 VAL 62 -4.334 6.451 4.575 454 HG13 VAL 62 3HG1 VAL 62 -3.960 7.961 3.750 455 HG21 VAL 62 3HG2 VAL 62 -6.192 7.402 0.806 456 HG22 VAL 62 1HG2 VAL 62 -4.462 7.043 0.815 457 HG23 VAL 62 2HG2 VAL 62 -5.064 8.525 1.562 458 H SER 63 H SER 63 -7.883 4.962 3.964 459 HA SER 63 HA SER 63 -6.734 4.046 6.400 460 HB2 SER 63 1HB SER 63 -8.942 5.197 6.275 461 HB3 SER 63 2HB SER 63 -9.624 3.793 5.453 462 HG SER 63 HG SER 63 -9.622 2.691 7.284 463 H GLU 64 H GLU 64 -8.323 2.360 3.707 464 HA GLU 64 HA GLU 64 -8.018 -0.284 4.793 465 HB2 GLU 64 1HB GLU 64 -9.140 0.900 2.276 466 HB3 GLU 64 2HB GLU 64 -8.602 -0.769 2.171 467 HG2 GLU 64 1HG GLU 64 -11.008 -0.587 2.649 468 HG3 GLU 64 2HG GLU 64 -10.141 -1.458 3.902 469 H LEU 65 H LEU 65 -6.033 1.805 2.847 470 HA LEU 65 HA LEU 65 -4.191 -0.148 1.847 471 HB2 LEU 65 1HB LEU 65 -4.283 2.058 0.806 472 HB3 LEU 65 2HB LEU 65 -3.932 2.850 2.331 473 HG LEU 65 HG LEU 65 -1.614 1.890 2.274 474 HD11 LEU 65 1HD1 LEU 65 -2.367 0.884 -0.487 475 HD12 LEU 65 2HD1 LEU 65 -2.013 -0.110 0.927 476 HD13 LEU 65 3HD1 LEU 65 -0.742 0.876 0.209 477 HD21 LEU 65 3HD2 LEU 65 -2.044 4.158 1.420 478 HD22 LEU 65 1HD2 LEU 65 -2.348 3.501 -0.190 479 HD23 LEU 65 2HD2 LEU 65 -0.742 3.375 0.527 480 H SER 66 H SER 66 -4.182 2.084 4.599 481 HA SER 66 HA SER 66 -1.815 1.292 5.885 482 HB2 SER 66 1HB SER 66 -2.976 3.405 6.416 483 HB3 SER 66 2HB SER 66 -4.356 2.513 7.055 484 HG SER 66 HG SER 66 -2.893 3.262 8.680 485 H LEU 67 H LEU 67 -5.162 0.236 6.262 486 HA LEU 67 HA LEU 67 -4.963 -1.614 8.340 487 HB2 LEU 67 1HB LEU 67 -7.112 -0.859 7.547 488 HB3 LEU 67 2HB LEU 67 -6.793 -1.439 5.925 489 HG LEU 67 HG LEU 67 -6.969 -3.792 6.739 490 HD11 LEU 67 1HD1 LEU 67 -6.283 -3.500 9.067 491 HD12 LEU 67 2HD1 LEU 67 -7.856 -4.286 8.976 492 HD13 LEU 67 3HD1 LEU 67 -7.752 -2.577 9.406 493 HD21 LEU 67 3HD2 LEU 67 -8.942 -2.660 5.789 494 HD22 LEU 67 1HD2 LEU 67 -9.398 -2.083 7.396 495 HD23 LEU 67 2HD2 LEU 67 -9.407 -3.813 7.037 496 H LYS 68 H LYS 68 -4.598 -2.061 4.835 497 HA LYS 68 HA LYS 68 -4.281 -4.889 4.867 498 HB2 LYS 68 1HB LYS 68 -4.694 -2.902 2.900 499 HB3 LYS 68 2HB LYS 68 -3.116 -3.540 2.500 500 HG2 LYS 68 1HG LYS 68 -4.758 -4.720 1.220 501 HG3 LYS 68 2HG LYS 68 -4.104 -5.832 2.427 502 HD2 LYS 68 1HD LYS 68 -6.103 -5.455 3.850 503 HD3 LYS 68 2HD LYS 68 -6.751 -4.349 2.633 504 HE2 LYS 68 1HE LYS 68 -6.787 -6.230 0.994 505 HE3 LYS 68 2HE LYS 68 -6.232 -7.322 2.265 506 HZ1 LYS 68 3HZ LYS 68 -8.628 -7.416 1.957 507 HZ2 LYS 68 1HZ LYS 68 -8.760 -5.767 2.316 508 HZ3 LYS 68 2HZ LYS 68 -8.237 -6.851 3.502 509 H LEU 69 H LEU 69 -2.000 -2.184 4.767 510 HA LEU 69 HA LEU 69 0.386 -3.665 4.405 511 HB2 LEU 69 1HB LEU 69 -0.083 -0.898 5.568 512 HB3 LEU 69 2HB LEU 69 1.519 -1.567 5.290 513 HG LEU 69 HG LEU 69 -0.556 -0.989 3.133 514 HD11 LEU 69 1HD1 LEU 69 0.404 1.075 4.028 515 HD12 LEU 69 2HD1 LEU 69 0.964 0.790 2.383 516 HD13 LEU 69 3HD1 LEU 69 2.037 0.462 3.746 517 HD21 LEU 69 3HD2 LEU 69 2.284 -2.031 2.811 518 HD22 LEU 69 1HD2 LEU 69 1.200 -1.554 1.499 519 HD23 LEU 69 2HD2 LEU 69 0.800 -2.939 2.509 520 H ARG 70 H ARG 70 -1.321 -2.516 7.267 521 HA ARG 70 HA ARG 70 0.528 -3.450 9.226 522 HB2 ARG 70 1HB ARG 70 -1.039 -1.655 9.745 523 HB3 ARG 70 2HB ARG 70 -2.416 -2.691 9.394 524 HG2 ARG 70 1HG ARG 70 -1.854 -4.087 11.367 525 HG3 ARG 70 2HG ARG 70 -0.486 -3.030 11.718 526 HD2 ARG 70 1HD ARG 70 -2.003 -1.145 12.095 527 HD3 ARG 70 2HD ARG 70 -3.391 -2.150 11.652 528 HE ARG 70 HE ARG 70 -1.715 -2.997 13.906 529 HH11 ARG 70 1HH1 ARG 70 -4.761 -1.592 12.861 530 HH12 ARG 70 2HH1 ARG 70 -5.547 -1.887 14.381 531 HH21 ARG 70 1HH2 ARG 70 -2.767 -3.393 15.879 532 HH22 ARG 70 2HH2 ARG 70 -4.419 -2.887 16.090 533 H LYS 71 H LYS 71 -2.208 -4.913 7.546 534 HA LYS 71 HA LYS 71 -2.617 -7.027 9.461 535 HB2 LYS 71 1HB LYS 71 -4.459 -5.985 8.064 536 HB3 LYS 71 2HB LYS 71 -3.791 -6.804 6.662 537 HG2 LYS 71 1HG LYS 71 -5.719 -8.017 7.550 538 HG3 LYS 71 2HG LYS 71 -4.251 -8.989 7.681 539 HD2 LYS 71 1HD LYS 71 -4.071 -8.405 10.079 540 HD3 LYS 71 2HD LYS 71 -5.516 -7.399 9.948 541 HE2 LYS 71 1HE LYS 71 -6.875 -9.375 9.444 542 HE3 LYS 71 2HE LYS 71 -5.437 -10.401 9.468 543 HZ1 LYS 71 3HZ LYS 71 -6.503 -8.863 11.769 544 HZ2 LYS 71 1HZ LYS 71 -5.136 -9.854 11.795 545 HZ3 LYS 71 2HZ LYS 71 -6.664 -10.529 11.543 546 H GLU 72 H GLU 72 -1.703 -7.130 5.983 547 HA GLU 72 HA GLU 72 -0.851 -9.867 6.129 548 HB2 GLU 72 1HB GLU 72 -0.773 -7.749 3.968 549 HB3 GLU 72 2HB GLU 72 0.076 -9.268 3.736 550 HG2 GLU 72 1HG GLU 72 -2.100 -9.322 2.662 551 HG3 GLU 72 2HG GLU 72 -2.013 -10.514 3.951 552 H PHE 73 H PHE 73 0.886 -6.766 5.848 553 HA PHE 73 HA PHE 73 3.476 -8.136 5.633 554 HB2 PHE 73 1HB PHE 73 2.902 -5.144 5.435 555 HB3 PHE 73 2HB PHE 73 4.362 -5.983 4.915 556 HD1 PHE 73 HD2 PHE 73 0.808 -5.329 4.136 557 HD2 PHE 73 HD1 PHE 73 4.413 -7.179 2.770 558 HE1 PHE 73 HE2 PHE 73 -0.171 -5.578 1.904 559 HE2 PHE 73 HE1 PHE 73 3.416 -7.433 0.536 560 HZ PHE 73 HZ PHE 73 1.126 -6.628 0.101 561 H GLY 74 H GLY 74 1.653 -6.171 7.897 562 HA2 GLY 74 1HA GLY 74 2.071 -5.766 10.153 563 HA3 GLY 74 2HA GLY 74 3.690 -6.427 9.976 564 H VAL 75 H VAL 75 3.086 -4.233 7.521 565 HA VAL 75 HA VAL 75 4.908 -2.269 8.575 566 HB VAL 75 HB VAL 75 3.371 -2.383 5.933 567 HG11 VAL 75 1HG1 VAL 75 5.652 -0.527 6.699 568 HG12 VAL 75 2HG1 VAL 75 3.976 -0.060 6.423 569 HG13 VAL 75 3HG1 VAL 75 4.946 -0.676 5.087 570 HG21 VAL 75 3HG2 VAL 75 5.510 -3.133 4.961 571 HG22 VAL 75 1HG2 VAL 75 4.988 -4.228 6.239 572 HG23 VAL 75 2HG2 VAL 75 6.279 -3.064 6.549 573 H THR 76 H THR 76 3.885 -1.435 10.324 574 HA THR 76 HA THR 76 1.312 -0.002 10.110 575 HB THR 76 HB THR 76 2.926 -0.700 12.622 576 HG1 THR 76 HG1 THR 76 2.096 -2.507 11.156 577 HG21 THR 76 3HG2 THR 76 1.171 1.037 12.957 578 HG22 THR 76 1HG2 THR 76 0.779 -0.460 13.808 579 HG23 THR 76 2HG2 THR 76 -0.037 -0.066 12.294 580 H GLY 77 H GLY 77 1.188 2.146 11.155 581 HA2 GLY 77 1HA GLY 77 1.846 4.252 11.745 582 HA3 GLY 77 2HA GLY 77 3.420 3.586 12.141 583 H VAL 78 H VAL 78 1.772 3.582 9.022 584 HA VAL 78 HA VAL 78 3.982 5.159 7.804 585 HB VAL 78 HB VAL 78 3.427 3.937 5.665 586 HG11 VAL 78 1HG1 VAL 78 4.567 1.854 6.254 587 HG12 VAL 78 2HG1 VAL 78 4.245 2.132 7.967 588 HG13 VAL 78 3HG1 VAL 78 5.310 3.224 7.076 589 HG21 VAL 78 3HG2 VAL 78 1.659 2.193 7.442 590 HG22 VAL 78 1HG2 VAL 78 2.074 1.857 5.758 591 HG23 VAL 78 2HG2 VAL 78 1.101 3.271 6.160 592 H ASP 79 H ASP 79 1.051 5.701 8.877 593 HA ASP 79 HA ASP 79 -0.689 6.259 6.770 594 HB2 ASP 79 1HB ASP 79 -0.580 7.478 9.560 595 HB3 ASP 79 2HB ASP 79 -1.966 7.583 8.478 596 H ASP 80 H ASP 80 1.476 8.462 8.538 597 HA ASP 80 HA ASP 80 0.773 10.865 7.189 598 HB2 ASP 80 1HB ASP 80 1.971 10.792 9.394 599 HB3 ASP 80 2HB ASP 80 3.415 10.189 8.584 600 H GLU 81 H GLU 81 3.168 8.379 6.622 601 HA GLU 81 HA GLU 81 4.638 9.630 4.542 602 HB2 GLU 81 1HB GLU 81 4.337 6.705 5.342 603 HB3 GLU 81 2HB GLU 81 5.402 7.228 4.043 604 HG2 GLU 81 1HG GLU 81 6.612 6.829 6.150 605 HG3 GLU 81 2HG GLU 81 6.778 8.488 5.586 606 H LEU 82 H LEU 82 1.801 7.478 4.592 607 HA LEU 82 HA LEU 82 1.544 6.975 1.829 608 HB2 LEU 82 1HB LEU 82 -0.688 7.190 3.894 609 HB3 LEU 82 2HB LEU 82 -0.831 6.434 2.313 610 HG LEU 82 HG LEU 82 0.881 5.440 4.616 611 HD11 LEU 82 1HD1 LEU 82 -1.660 4.261 3.469 612 HD12 LEU 82 2HD1 LEU 82 -1.490 5.064 5.032 613 HD13 LEU 82 3HD1 LEU 82 -0.659 3.541 4.735 614 HD21 LEU 82 3HD2 LEU 82 1.354 3.463 3.241 615 HD22 LEU 82 1HD2 LEU 82 1.985 4.932 2.502 616 HD23 LEU 82 2HD2 LEU 82 0.503 4.197 1.880 617 H ASP 83 H ASP 83 0.394 9.588 3.890 618 HA ASP 83 HA ASP 83 -1.038 11.100 1.961 619 HB2 ASP 83 1HB ASP 83 -1.373 11.506 4.333 620 HB3 ASP 83 2HB ASP 83 0.328 11.885 4.571 621 H LEU 84 H LEU 84 2.373 11.070 2.943 622 HA LEU 84 HA LEU 84 3.181 13.308 1.324 623 HB2 LEU 84 1HB LEU 84 4.856 11.140 2.642 624 HB3 LEU 84 2HB LEU 84 5.510 12.590 1.897 625 HG LEU 84 HG LEU 84 3.743 12.507 4.377 626 HD11 LEU 84 1HD1 LEU 84 6.005 11.700 4.840 627 HD12 LEU 84 2HD1 LEU 84 5.725 13.261 5.608 628 HD13 LEU 84 3HD1 LEU 84 6.690 13.168 4.133 629 HD21 LEU 84 3HD2 LEU 84 3.272 14.544 3.101 630 HD22 LEU 84 1HD2 LEU 84 4.998 14.917 3.016 631 HD23 LEU 84 2HD2 LEU 84 4.162 14.934 4.569 632 H LEU 85 H LEU 85 2.622 9.964 0.665 633 HA LEU 85 HA LEU 85 4.471 9.735 -1.572 634 HB2 LEU 85 1HB LEU 85 2.360 7.820 -0.519 635 HB3 LEU 85 2HB LEU 85 3.427 7.460 -1.869 636 HG LEU 85 HG LEU 85 4.291 7.924 1.002 637 HD11 LEU 85 1HD1 LEU 85 4.214 5.368 -0.595 638 HD12 LEU 85 2HD1 LEU 85 3.159 5.800 0.753 639 HD13 LEU 85 3HD1 LEU 85 4.882 5.554 1.028 640 HD21 LEU 85 3HD2 LEU 85 6.005 7.220 -1.391 641 HD22 LEU 85 1HD2 LEU 85 6.547 7.257 0.289 642 HD23 LEU 85 2HD2 LEU 85 6.028 8.743 -0.498 643 H GLU 86 H GLU 86 3.900 9.314 -3.675 644 HA GLU 86 HA GLU 86 1.160 9.825 -4.662 645 HB2 GLU 86 1HB GLU 86 2.151 11.156 -6.562 646 HB3 GLU 86 2HB GLU 86 2.362 11.933 -4.996 647 HG2 GLU 86 1HG GLU 86 4.686 11.275 -4.894 648 HG3 GLU 86 2HG GLU 86 4.520 10.262 -6.321 649 H THR 87 H THR 87 4.371 8.489 -5.098 650 HA THR 87 HA THR 87 3.668 6.893 -7.458 651 HB THR 87 HB THR 87 6.271 6.624 -7.464 652 HG1 THR 87 HG1 THR 87 7.396 7.978 -6.159 653 HG21 THR 87 3HG2 THR 87 6.659 8.829 -8.487 654 HG22 THR 87 1HG2 THR 87 5.146 9.434 -7.813 655 HG23 THR 87 2HG2 THR 87 5.121 8.166 -9.042 656 H VAL 88 H VAL 88 4.030 4.657 -7.490 657 HA VAL 88 HA VAL 88 3.514 3.382 -4.941 658 HB VAL 88 HB VAL 88 3.870 1.959 -7.610 659 HG11 VAL 88 1HG1 VAL 88 2.270 1.173 -5.143 660 HG12 VAL 88 2HG1 VAL 88 3.815 0.488 -5.640 661 HG13 VAL 88 3HG1 VAL 88 2.387 0.244 -6.643 662 HG21 VAL 88 3HG2 VAL 88 1.460 2.176 -8.013 663 HG22 VAL 88 1HG2 VAL 88 2.228 3.762 -7.942 664 HG23 VAL 88 2HG2 VAL 88 1.284 3.174 -6.570 665 H ASP 89 H ASP 89 6.301 3.742 -7.062 666 HA ASP 89 HA ASP 89 7.888 1.586 -6.130 667 HB2 ASP 89 1HB ASP 89 8.270 3.125 -8.191 668 HB3 ASP 89 2HB ASP 89 9.033 4.244 -7.074 669 H GLU 90 H GLU 90 7.542 4.935 -5.099 670 HA GLU 90 HA GLU 90 9.308 4.922 -2.904 671 HB2 GLU 90 1HB GLU 90 6.986 6.654 -3.769 672 HB3 GLU 90 2HB GLU 90 7.667 6.878 -2.165 673 HG2 GLU 90 1HG GLU 90 8.539 8.432 -3.954 674 HG3 GLU 90 2HG GLU 90 9.755 7.593 -3.001 675 H LEU 91 H LEU 91 5.856 4.073 -3.183 676 HA LEU 91 HA LEU 91 5.407 3.420 -0.448 677 HB2 LEU 91 1HB LEU 91 3.550 3.764 -1.994 678 HB3 LEU 91 2HB LEU 91 4.066 2.411 -2.982 679 HG LEU 91 HG LEU 91 3.504 0.845 -1.115 680 HD11 LEU 91 1HD1 LEU 91 3.795 2.316 0.811 681 HD12 LEU 91 2HD1 LEU 91 2.186 1.598 0.818 682 HD13 LEU 91 3HD1 LEU 91 2.397 3.278 0.317 683 HD21 LEU 91 3HD2 LEU 91 1.853 1.270 -2.886 684 HD22 LEU 91 1HD2 LEU 91 1.178 2.608 -1.950 685 HD23 LEU 91 2HD2 LEU 91 1.068 0.955 -1.341 686 H PHE 92 H PHE 92 6.795 1.555 -3.123 687 HA PHE 92 HA PHE 92 6.803 -1.006 -1.883 688 HB2 PHE 92 1HB PHE 92 8.363 0.142 -4.226 689 HB3 PHE 92 2HB PHE 92 8.720 -1.472 -3.621 690 HD1 PHE 92 HD2 PHE 92 6.250 -2.744 -3.089 691 HD2 PHE 92 HD1 PHE 92 7.109 -0.003 -6.253 692 HE1 PHE 92 HE2 PHE 92 4.450 -3.711 -4.436 693 HE2 PHE 92 HE1 PHE 92 5.313 -0.995 -7.584 694 HZ PHE 92 HZ PHE 92 3.978 -2.844 -6.681 695 H GLN 93 H GLN 93 9.370 1.464 -2.245 696 HA GLN 93 HA GLN 93 11.246 0.054 -0.631 697 HB2 GLN 93 1HB GLN 93 12.665 2.038 -0.763 698 HB3 GLN 93 2HB GLN 93 12.018 1.614 -2.342 699 HG2 GLN 93 1HG GLN 93 10.375 3.418 -2.189 700 HG3 GLN 93 2HG GLN 93 10.948 3.829 -0.572 701 HE21 GLN 93 2HE2 GLN 93 10.875 5.449 -3.052 702 HE22 GLN 93 1HE2 GLN 93 12.486 5.990 -3.295 703 H LEU 94 H LEU 94 8.591 2.156 0.174 704 HA LEU 94 HA LEU 94 9.362 2.818 2.844 705 HB2 LEU 94 1HB LEU 94 7.525 3.987 1.690 706 HB3 LEU 94 2HB LEU 94 6.594 2.500 1.621 707 HG LEU 94 HG LEU 94 6.461 2.509 4.139 708 HD11 LEU 94 1HD1 LEU 94 8.457 3.815 4.675 709 HD12 LEU 94 2HD1 LEU 94 7.030 4.550 5.395 710 HD13 LEU 94 3HD1 LEU 94 7.745 5.257 3.943 711 HD21 LEU 94 3HD2 LEU 94 4.785 4.301 4.314 712 HD22 LEU 94 1HD2 LEU 94 4.599 3.385 2.822 713 HD23 LEU 94 2HD2 LEU 94 5.342 4.987 2.786 714 H VAL 95 H VAL 95 7.377 0.172 1.497 715 HA VAL 95 HA VAL 95 6.940 -1.271 3.909 716 HB VAL 95 HB VAL 95 6.894 -2.178 0.987 717 HG11 VAL 95 1HG1 VAL 95 5.596 -4.165 1.726 718 HG12 VAL 95 2HG1 VAL 95 5.881 -3.723 3.410 719 HG13 VAL 95 3HG1 VAL 95 7.235 -4.173 2.376 720 HG21 VAL 95 3HG2 VAL 95 4.428 -1.997 1.236 721 HG22 VAL 95 1HG2 VAL 95 5.229 -0.456 1.540 722 HG23 VAL 95 2HG2 VAL 95 4.636 -1.422 2.893 723 H GLU 96 H GLU 96 9.435 -1.451 1.419 724 HA GLU 96 HA GLU 96 10.974 -3.624 2.314 725 HB2 GLU 96 1HB GLU 96 11.257 -2.605 0.094 726 HB3 GLU 96 2HB GLU 96 11.760 -1.086 0.822 727 HG2 GLU 96 1HG GLU 96 13.773 -2.314 1.755 728 HG3 GLU 96 2HG GLU 96 13.305 -3.694 0.761 729 H LYS 97 H LYS 97 11.026 -0.188 3.135 730 HA LYS 97 HA LYS 97 13.383 -0.078 4.684 731 HB2 LYS 97 1HB LYS 97 11.714 1.800 3.646 732 HB3 LYS 97 2HB LYS 97 11.077 1.796 5.276 733 HG2 LYS 97 1HG LYS 97 13.952 2.382 4.501 734 HG3 LYS 97 2HG LYS 97 12.724 3.593 4.873 735 HD2 LYS 97 1HD LYS 97 12.561 2.677 7.179 736 HD3 LYS 97 2HD LYS 97 13.826 1.511 6.792 737 HE2 LYS 97 1HE LYS 97 15.399 3.387 6.368 738 HE3 LYS 97 2HE LYS 97 14.129 4.531 6.819 739 HZ1 LYS 97 3HZ LYS 97 14.044 3.376 9.005 740 HZ2 LYS 97 1HZ LYS 97 15.504 4.176 8.704 741 HZ3 LYS 97 2HZ LYS 97 15.414 2.496 8.549 742 H HIS 98 H HIS 98 9.982 -0.611 5.516 743 HA HIS 98 HA HIS 98 10.390 -0.737 8.370 744 HB2 HIS 98 1HB HIS 98 7.996 -1.179 6.557 745 HB3 HIS 98 2HB HIS 98 7.906 -1.589 8.268 746 HD1 HIS 98 HD1 HIS 98 6.878 0.212 9.576 747 HD2 HIS 98 HD2 HIS 98 9.080 1.748 6.402 748 HE1 HIS 98 HE1 HIS 98 6.730 2.697 9.797 749 HE2 HIS 98 HE2 HIS 98 8.020 3.613 7.837 750 H ARG 99 H ARG 99 10.493 -3.042 5.789 751 HA ARG 99 HA ARG 99 10.006 -5.359 7.502 752 HB2 ARG 99 1HB ARG 99 9.203 -5.191 5.093 753 HB3 ARG 99 2HB ARG 99 10.883 -5.320 4.582 754 HG2 ARG 99 1HG ARG 99 10.956 -7.544 5.855 755 HG3 ARG 99 2HG ARG 99 9.201 -7.415 6.001 756 HD2 ARG 99 1HD ARG 99 9.810 -8.847 4.109 757 HD3 ARG 99 2HD ARG 99 9.010 -7.384 3.532 758 HE ARG 99 HE ARG 99 10.906 -6.834 2.396 759 HH11 ARG 99 1HH1 ARG 99 11.868 -9.184 4.840 760 HH12 ARG 99 2HH1 ARG 99 13.493 -9.300 4.244 761 HH21 ARG 99 1HH2 ARG 99 13.049 -6.980 1.672 762 HH22 ARG 99 2HH2 ARG 99 14.161 -8.052 2.463 763 H ALA 100 H ALA 100 12.722 -3.797 5.845 764 HA ALA 100 HA ALA 100 14.670 -5.822 6.516 765 HB1 ALA 100 3HB ALA 100 14.888 -4.539 4.431 766 HB2 ALA 100 1HB ALA 100 16.296 -4.293 5.468 767 HB3 ALA 100 2HB ALA 100 15.054 -3.044 5.351 768 H ALA 101 H ALA 101 14.314 -2.354 7.378 769 HA ALA 101 HA ALA 101 15.784 -2.711 9.878 770 HB1 ALA 101 3HB ALA 101 15.459 -0.279 10.158 771 HB2 ALA 101 1HB ALA 101 14.436 -0.251 8.716 772 HB3 ALA 101 2HB ALA 101 16.144 -0.669 8.577 773 H GLY 102 H GLY 102 14.771 -3.486 11.608 774 HA2 GLY 102 1HA GLY 102 12.122 -4.325 11.675 775 HA3 GLY 102 2HA GLY 102 13.179 -4.204 13.065 776 H SER 103 H SER 103 10.525 -2.791 11.373 777 HA SER 103 HA SER 103 10.315 -0.504 13.229 778 HB2 SER 103 1HB SER 103 8.727 -1.125 10.699 779 HB3 SER 103 2HB SER 103 8.631 0.364 11.645 780 HG SER 103 HG SER 103 11.007 -0.608 10.434 Start of MODEL 7 1 H1 MET 1 1H MET 1 27.982 -32.343 -24.168 2 H2 MET 1 2H MET 1 28.813 -31.060 -24.878 3 H3 MET 1 3H MET 1 28.487 -32.450 -25.774 4 HA MET 1 HA MET 1 27.012 -30.687 -26.418 5 HB2 MET 1 1HB MET 1 26.211 -33.038 -26.470 6 HB3 MET 1 2HB MET 1 25.630 -32.892 -24.819 7 HG2 MET 1 1HG MET 1 24.050 -31.095 -25.634 8 HG3 MET 1 2HG MET 1 24.548 -31.498 -27.279 9 HE1 MET 1 3HE MET 1 24.228 -34.026 -28.301 10 HE2 MET 1 1HE MET 1 23.316 -35.289 -27.471 11 HE3 MET 1 2HE MET 1 24.895 -34.800 -26.860 12 H GLY 2 H GLY 2 26.541 -28.691 -25.680 13 HA2 GLY 2 1HA GLY 2 25.981 -28.181 -22.841 14 HA3 GLY 2 2HA GLY 2 26.295 -26.992 -24.098 15 H SER 3 H SER 3 24.510 -25.735 -23.553 16 HA SER 3 HA SER 3 21.947 -26.612 -24.638 17 HB2 SER 3 1HB SER 3 22.217 -25.612 -21.755 18 HB3 SER 3 2HB SER 3 20.685 -25.883 -22.601 19 HG SER 3 HG SER 3 21.836 -28.114 -22.901 20 H SER 4 H SER 4 21.399 -25.008 -26.006 21 HA SER 4 HA SER 4 21.607 -22.206 -25.177 22 HB2 SER 4 1HB SER 4 23.691 -22.658 -26.453 23 HB3 SER 4 2HB SER 4 22.736 -23.215 -27.823 24 HG SER 4 HG SER 4 23.074 -20.621 -26.809 25 H HIS 5 H HIS 5 19.457 -22.001 -25.039 26 HA HIS 5 HA HIS 5 18.074 -21.378 -27.485 27 HB2 HIS 5 1HB HIS 5 16.077 -22.712 -27.150 28 HB3 HIS 5 2HB HIS 5 17.431 -23.831 -27.074 29 HD1 HIS 5 HD1 HIS 5 14.649 -22.413 -25.038 30 HD2 HIS 5 HD2 HIS 5 17.911 -24.935 -24.477 31 HE1 HIS 5 HE1 HIS 5 14.307 -23.477 -22.792 32 HE2 HIS 5 HE2 HIS 5 16.370 -24.854 -22.408 33 H ASP 6 H ASP 6 16.374 -19.849 -27.076 34 HA ASP 6 HA ASP 6 16.562 -18.444 -24.549 35 HB2 ASP 6 1HB ASP 6 15.102 -16.789 -25.517 36 HB3 ASP 6 2HB ASP 6 16.268 -17.251 -26.745 37 H HIS 7 H HIS 7 15.035 -18.382 -22.941 38 HA HIS 7 HA HIS 7 13.204 -20.655 -22.746 39 HB2 HIS 7 1HB HIS 7 12.958 -19.979 -20.366 40 HB3 HIS 7 2HB HIS 7 14.648 -20.155 -20.817 41 HD1 HIS 7 HD1 HIS 7 12.087 -17.472 -20.073 42 HD2 HIS 7 HD2 HIS 7 16.200 -17.894 -20.451 43 HE1 HIS 7 HE1 HIS 7 13.060 -15.294 -19.320 44 HE2 HIS 7 HE2 HIS 7 15.539 -15.657 -19.355 45 H HIS 8 H HIS 8 12.993 -17.340 -23.591 46 HA HIS 8 HA HIS 8 10.253 -16.977 -22.614 47 HB2 HIS 8 1HB HIS 8 12.052 -15.203 -22.302 48 HB3 HIS 8 2HB HIS 8 12.013 -14.939 -24.040 49 HD1 HIS 8 HD1 HIS 8 10.534 -13.050 -24.711 50 HD2 HIS 8 HD2 HIS 8 9.246 -14.788 -21.163 51 HE1 HIS 8 HE1 HIS 8 8.535 -11.721 -23.987 52 HE2 HIS 8 HE2 HIS 8 7.762 -12.802 -21.857 53 H HIS 9 H HIS 9 11.291 -18.591 -25.175 54 HA HIS 9 HA HIS 9 10.044 -17.443 -27.428 55 HB2 HIS 9 1HB HIS 9 11.719 -19.332 -27.494 56 HB3 HIS 9 2HB HIS 9 10.463 -20.422 -26.923 57 HD1 HIS 9 HD1 HIS 9 11.101 -21.658 -29.284 58 HD2 HIS 9 HD2 HIS 9 9.065 -18.047 -29.584 59 HE1 HIS 9 HE1 HIS 9 10.184 -21.578 -31.617 60 HE2 HIS 9 HE2 HIS 9 9.141 -19.301 -31.824 61 H HIS 10 H HIS 10 7.981 -16.825 -27.336 62 HA HIS 10 HA HIS 10 5.884 -18.654 -26.317 63 HB2 HIS 10 1HB HIS 10 4.642 -16.706 -25.485 64 HB3 HIS 10 2HB HIS 10 6.246 -16.733 -24.772 65 HD1 HIS 10 HD1 HIS 10 7.979 -14.925 -25.785 66 HD2 HIS 10 HD2 HIS 10 4.007 -14.373 -26.841 67 HE1 HIS 10 HE1 HIS 10 7.831 -12.576 -26.624 68 HE2 HIS 10 HE2 HIS 10 5.383 -12.210 -27.036 69 H SER 11 H SER 11 4.063 -18.870 -27.541 70 HA SER 11 HA SER 11 3.958 -17.551 -30.180 71 HB2 SER 11 1HB SER 11 3.847 -20.052 -30.117 72 HB3 SER 11 2HB SER 11 2.382 -19.954 -29.139 73 HG SER 11 HG SER 11 1.308 -19.682 -30.918 74 H SER 12 H SER 12 1.810 -16.826 -30.933 75 HA SER 12 HA SER 12 0.334 -15.331 -28.930 76 HB2 SER 12 1HB SER 12 -0.952 -14.529 -30.975 77 HB3 SER 12 2HB SER 12 0.779 -14.209 -31.021 78 HG SER 12 HG SER 12 -0.617 -16.294 -32.362 79 H GLY 13 H GLY 13 -1.097 -16.439 -27.729 80 HA2 GLY 13 1HA GLY 13 -3.035 -18.285 -29.018 81 HA3 GLY 13 2HA GLY 13 -2.192 -18.735 -27.539 82 H ARG 14 H ARG 14 -2.448 -17.292 -25.671 83 HA ARG 14 HA ARG 14 -3.731 -16.447 -24.024 84 HB2 ARG 14 1HB ARG 14 -4.559 -14.586 -26.282 85 HB3 ARG 14 2HB ARG 14 -4.953 -14.295 -24.590 86 HG2 ARG 14 1HG ARG 14 -2.529 -14.207 -24.054 87 HG3 ARG 14 2HG ARG 14 -2.152 -14.447 -25.761 88 HD2 ARG 14 1HD ARG 14 -3.187 -12.325 -26.340 89 HD3 ARG 14 2HD ARG 14 -3.772 -12.111 -24.686 90 HE ARG 14 HE ARG 14 -0.929 -12.377 -24.775 91 HH11 ARG 14 1HH1 ARG 14 -3.490 -10.033 -25.332 92 HH12 ARG 14 2HH1 ARG 14 -2.485 -8.669 -24.972 93 HH21 ARG 14 1HH2 ARG 14 0.373 -10.557 -24.287 94 HH22 ARG 14 2HH2 ARG 14 -0.310 -8.963 -24.366 95 H GLU 15 H GLU 15 -5.033 -18.178 -23.536 96 HA GLU 15 HA GLU 15 -7.367 -18.991 -24.916 97 HB2 GLU 15 1HB GLU 15 -6.495 -19.533 -22.041 98 HB3 GLU 15 2HB GLU 15 -7.863 -20.317 -22.817 99 HG2 GLU 15 1HG GLU 15 -6.107 -21.889 -22.940 100 HG3 GLU 15 2HG GLU 15 -6.223 -21.208 -24.558 101 H ASN 16 H ASN 16 -9.580 -18.721 -24.408 102 HA ASN 16 HA ASN 16 -10.334 -16.072 -23.829 103 HB2 ASN 16 1HB ASN 16 -12.588 -16.703 -24.263 104 HB3 ASN 16 2HB ASN 16 -11.635 -17.763 -25.273 105 HD21 ASN 16 2HD2 ASN 16 -13.709 -17.564 -22.481 106 HD22 ASN 16 1HD2 ASN 16 -13.996 -19.257 -22.313 107 H LEU 17 H LEU 17 -10.238 -18.935 -21.842 108 HA LEU 17 HA LEU 17 -10.750 -17.310 -19.410 109 HB2 LEU 17 1HB LEU 17 -12.480 -19.208 -20.156 110 HB3 LEU 17 2HB LEU 17 -11.272 -20.311 -19.533 111 HG LEU 17 HG LEU 17 -12.703 -18.156 -17.921 112 HD11 LEU 17 1HD1 LEU 17 -13.896 -20.004 -16.816 113 HD12 LEU 17 2HD1 LEU 17 -13.118 -21.158 -17.901 114 HD13 LEU 17 3HD1 LEU 17 -14.229 -19.950 -18.547 115 HD21 LEU 17 3HD2 LEU 17 -10.798 -20.299 -16.927 116 HD22 LEU 17 1HD2 LEU 17 -11.729 -19.190 -15.913 117 HD23 LEU 17 2HD2 LEU 17 -10.477 -18.565 -16.984 118 H TYR 18 H TYR 18 -8.651 -16.901 -18.852 119 HA TYR 18 HA TYR 18 -6.677 -19.123 -18.779 120 HB2 TYR 18 1HB TYR 18 -4.919 -17.539 -19.369 121 HB3 TYR 18 2HB TYR 18 -6.203 -17.407 -20.564 122 HD1 TYR 18 HD2 TYR 18 -7.708 -15.349 -20.554 123 HD2 TYR 18 HD1 TYR 18 -4.318 -15.636 -17.963 124 HE1 TYR 18 HE2 TYR 18 -7.802 -12.926 -20.137 125 HE2 TYR 18 HE1 TYR 18 -4.414 -13.226 -17.553 126 HH TYR 18 HH TYR 18 -5.273 -11.223 -18.536 127 H PHE 19 H PHE 19 -8.566 -18.117 -16.677 128 HA PHE 19 HA PHE 19 -7.342 -16.324 -14.884 129 HB2 PHE 19 1HB PHE 19 -9.826 -16.936 -15.054 130 HB3 PHE 19 2HB PHE 19 -9.447 -18.392 -14.146 131 HD1 PHE 19 HD1 PHE 19 -9.051 -14.660 -13.940 132 HD2 PHE 19 HD2 PHE 19 -9.672 -18.302 -11.773 133 HE1 PHE 19 HE1 PHE 19 -9.367 -13.377 -11.863 134 HE2 PHE 19 HE2 PHE 19 -9.986 -17.008 -9.708 135 HZ PHE 19 HZ PHE 19 -9.832 -14.549 -9.745 136 H GLN 20 H GLN 20 -7.158 -19.824 -15.131 137 HA GLN 20 HA GLN 20 -5.774 -20.355 -12.686 138 HB2 GLN 20 1HB GLN 20 -7.012 -22.101 -13.984 139 HB3 GLN 20 2HB GLN 20 -5.834 -21.964 -15.285 140 HG2 GLN 20 1HG GLN 20 -4.059 -22.717 -13.653 141 HG3 GLN 20 2HG GLN 20 -5.339 -23.016 -12.478 142 HE21 GLN 20 2HE2 GLN 20 -3.897 -24.067 -15.488 143 HE22 GLN 20 1HE2 GLN 20 -4.669 -25.612 -15.552 144 H GLY 21 H GLY 21 -3.547 -20.569 -12.321 145 HA2 GLY 21 1HA GLY 21 -1.268 -20.803 -13.177 146 HA3 GLY 21 2HA GLY 21 -1.668 -19.655 -14.449 147 H HIS 22 H HIS 22 -3.203 -17.939 -12.576 148 HA HIS 22 HA HIS 22 -1.045 -16.283 -11.629 149 HB2 HIS 22 1HB HIS 22 -3.046 -15.180 -12.490 150 HB3 HIS 22 2HB HIS 22 -4.077 -16.054 -11.359 151 HD1 HIS 22 HD1 HIS 22 -4.143 -15.199 -8.923 152 HD2 HIS 22 HD2 HIS 22 -1.628 -12.978 -11.365 153 HE1 HIS 22 HE1 HIS 22 -3.543 -13.169 -7.596 154 HE2 HIS 22 HE2 HIS 22 -1.851 -11.984 -9.008 155 H MET 23 H MET 23 0.051 -16.932 -9.816 156 HA MET 23 HA MET 23 -1.481 -17.697 -7.405 157 HB2 MET 23 1HB MET 23 0.679 -18.360 -6.412 158 HB3 MET 23 2HB MET 23 0.413 -19.190 -7.937 159 HG2 MET 23 1HG MET 23 1.997 -17.695 -9.060 160 HG3 MET 23 2HG MET 23 2.227 -16.788 -7.565 161 HE1 MET 23 3HE MET 23 3.574 -21.196 -8.076 162 HE2 MET 23 1HE MET 23 2.774 -20.282 -9.354 163 HE3 MET 23 2HE MET 23 1.881 -20.746 -7.903 164 HA PRO 24 HA PRO 24 -0.651 -13.488 -5.852 165 HB2 PRO 24 1HB PRO 24 -1.433 -14.351 -3.149 166 HB3 PRO 24 2HB PRO 24 -2.319 -13.320 -4.276 167 HG2 PRO 24 1HG PRO 24 -3.151 -15.849 -3.598 168 HG3 PRO 24 2HG PRO 24 -3.519 -15.094 -5.163 169 HD2 PRO 24 1HD PRO 24 -1.348 -17.088 -4.484 170 HD3 PRO 24 2HD PRO 24 -2.456 -17.062 -5.878 171 H ASN 25 H ASN 25 1.005 -16.297 -5.051 172 HA ASN 25 HA ASN 25 2.792 -15.365 -3.010 173 HB2 ASN 25 1HB ASN 25 2.240 -17.794 -3.467 174 HB3 ASN 25 2HB ASN 25 3.143 -17.694 -4.973 175 HD21 ASN 25 2HD2 ASN 25 3.600 -19.472 -2.776 176 HD22 ASN 25 1HD2 ASN 25 5.200 -19.174 -2.191 177 H ASP 26 H ASP 26 3.585 -13.409 -3.746 178 HA ASP 26 HA ASP 26 5.975 -13.421 -5.301 179 HB2 ASP 26 1HB ASP 26 4.170 -13.383 -7.124 180 HB3 ASP 26 2HB ASP 26 3.632 -11.831 -6.493 181 H MET 27 H MET 27 6.833 -11.044 -5.431 182 HA MET 27 HA MET 27 6.253 -9.622 -2.957 183 HB2 MET 27 1HB MET 27 8.595 -9.835 -3.625 184 HB3 MET 27 2HB MET 27 8.271 -9.088 -5.186 185 HG2 MET 27 1HG MET 27 9.389 -7.525 -3.653 186 HG3 MET 27 2HG MET 27 7.775 -6.953 -4.081 187 HE1 MET 27 3HE MET 27 7.422 -5.294 -2.136 188 HE2 MET 27 1HE MET 27 9.109 -5.544 -1.678 189 HE3 MET 27 2HE MET 27 7.842 -5.626 -0.454 190 H GLU 28 H GLU 28 6.397 -8.702 -6.419 191 HA GLU 28 HA GLU 28 5.176 -6.187 -6.121 192 HB2 GLU 28 1HB GLU 28 5.517 -7.918 -8.596 193 HB3 GLU 28 2HB GLU 28 4.884 -6.272 -8.643 194 HG2 GLU 28 1HG GLU 28 7.042 -5.470 -7.648 195 HG3 GLU 28 2HG GLU 28 7.655 -7.120 -7.758 196 H ASP 29 H ASP 29 3.835 -9.219 -7.446 197 HA ASP 29 HA ASP 29 1.289 -8.258 -8.115 198 HB2 ASP 29 1HB ASP 29 2.193 -10.351 -9.039 199 HB3 ASP 29 2HB ASP 29 2.151 -11.107 -7.447 200 H HIS 30 H HIS 30 2.482 -9.643 -5.094 201 HA HIS 30 HA HIS 30 -0.031 -10.026 -3.824 202 HB2 HIS 30 1HB HIS 30 2.100 -11.169 -3.167 203 HB3 HIS 30 2HB HIS 30 2.709 -9.636 -2.554 204 HD1 HIS 30 HD1 HIS 30 2.867 -10.256 -0.112 205 HD2 HIS 30 HD2 HIS 30 -0.890 -11.034 -1.702 206 HE1 HIS 30 HE1 HIS 30 1.436 -10.921 1.831 207 HE2 HIS 30 HE2 HIS 30 -0.873 -11.159 0.867 208 H LEU 31 H LEU 31 2.397 -7.380 -3.620 209 HA LEU 31 HA LEU 31 0.837 -5.688 -1.897 210 HB2 LEU 31 1HB LEU 31 3.408 -5.671 -2.368 211 HB3 LEU 31 2HB LEU 31 3.022 -4.728 -3.791 212 HG LEU 31 HG LEU 31 3.827 -3.387 -1.780 213 HD11 LEU 31 1HD1 LEU 31 2.256 -1.538 -1.974 214 HD12 LEU 31 2HD1 LEU 31 1.070 -2.593 -2.747 215 HD13 LEU 31 3HD1 LEU 31 2.597 -2.240 -3.552 216 HD21 LEU 31 3HD2 LEU 31 2.709 -4.676 -0.012 217 HD22 LEU 31 1HD2 LEU 31 1.134 -4.099 -0.569 218 HD23 LEU 31 2HD2 LEU 31 2.315 -2.964 0.093 219 H LEU 32 H LEU 32 0.963 -6.261 -5.316 220 HA LEU 32 HA LEU 32 -0.447 -3.937 -6.225 221 HB2 LEU 32 1HB LEU 32 1.159 -5.704 -7.458 222 HB3 LEU 32 2HB LEU 32 -0.356 -6.511 -7.803 223 HG LEU 32 HG LEU 32 -1.148 -4.455 -8.992 224 HD11 LEU 32 1HD1 LEU 32 1.653 -3.392 -8.457 225 HD12 LEU 32 2HD1 LEU 32 0.147 -2.761 -7.786 226 HD13 LEU 32 3HD1 LEU 32 0.448 -2.648 -9.517 227 HD21 LEU 32 3HD2 LEU 32 1.522 -5.537 -10.006 228 HD22 LEU 32 1HD2 LEU 32 0.304 -4.701 -10.976 229 HD23 LEU 32 2HD2 LEU 32 -0.063 -6.271 -10.271 230 H THR 33 H THR 33 -1.341 -7.136 -5.073 231 HA THR 33 HA THR 33 -4.107 -7.089 -5.768 232 HB THR 33 HB THR 33 -2.748 -8.660 -3.515 233 HG1 THR 33 HG1 THR 33 -1.878 -9.530 -5.272 234 HG21 THR 33 3HG2 THR 33 -5.435 -9.127 -4.885 235 HG22 THR 33 1HG2 THR 33 -5.209 -8.581 -3.219 236 HG23 THR 33 2HG2 THR 33 -4.692 -10.198 -3.696 237 H VAL 34 H VAL 34 -2.265 -6.184 -2.850 238 HA VAL 34 HA VAL 34 -4.329 -5.246 -1.206 239 HB VAL 34 HB VAL 34 -1.459 -4.240 -1.502 240 HG11 VAL 34 1HG1 VAL 34 -1.679 -3.218 0.746 241 HG12 VAL 34 2HG1 VAL 34 -3.403 -3.599 0.741 242 HG13 VAL 34 3HG1 VAL 34 -2.750 -2.465 -0.439 243 HG21 VAL 34 3HG2 VAL 34 -0.994 -5.624 0.490 244 HG22 VAL 34 1HG2 VAL 34 -1.631 -6.598 -0.838 245 HG23 VAL 34 2HG2 VAL 34 -2.677 -6.163 0.518 246 H LEU 35 H LEU 35 -2.542 -3.603 -3.786 247 HA LEU 35 HA LEU 35 -3.708 -1.031 -3.527 248 HB2 LEU 35 1HB LEU 35 -2.271 -2.414 -5.815 249 HB3 LEU 35 2HB LEU 35 -2.792 -0.733 -5.903 250 HG LEU 35 HG LEU 35 -0.846 -1.822 -3.837 251 HD11 LEU 35 1HD1 LEU 35 0.151 -1.896 -6.069 252 HD12 LEU 35 2HD1 LEU 35 0.913 -0.662 -5.072 253 HD13 LEU 35 3HD1 LEU 35 -0.244 -0.190 -6.321 254 HD21 LEU 35 3HD2 LEU 35 -0.430 0.559 -3.325 255 HD22 LEU 35 1HD2 LEU 35 -2.092 0.095 -2.988 256 HD23 LEU 35 2HD2 LEU 35 -1.712 1.029 -4.438 257 H SER 36 H SER 36 -4.589 -3.870 -5.482 258 HA SER 36 HA SER 36 -6.489 -2.492 -7.115 259 HB2 SER 36 1HB SER 36 -7.126 -4.780 -7.885 260 HB3 SER 36 2HB SER 36 -5.393 -4.490 -7.968 261 HG SER 36 HG SER 36 -5.072 -5.958 -6.492 262 H VAL 37 H VAL 37 -6.654 -4.202 -4.063 263 HA VAL 37 HA VAL 37 -9.525 -4.197 -3.841 264 HB VAL 37 HB VAL 37 -7.355 -4.535 -1.703 265 HG11 VAL 37 1HG1 VAL 37 -9.425 -3.786 -0.629 266 HG12 VAL 37 2HG1 VAL 37 -9.140 -5.486 -0.255 267 HG13 VAL 37 3HG1 VAL 37 -10.351 -5.038 -1.463 268 HG21 VAL 37 3HG2 VAL 37 -7.336 -6.315 -3.409 269 HG22 VAL 37 1HG2 VAL 37 -9.054 -6.621 -3.143 270 HG23 VAL 37 2HG2 VAL 37 -7.885 -6.952 -1.860 271 H ALA 38 H ALA 38 -6.891 -2.054 -2.790 272 HA ALA 38 HA ALA 38 -8.431 -0.295 -1.160 273 HB1 ALA 38 3HB ALA 38 -5.993 -0.560 -0.895 274 HB2 ALA 38 1HB ALA 38 -6.429 1.131 -1.156 275 HB3 ALA 38 2HB ALA 38 -5.737 0.183 -2.475 276 H SER 39 H SER 39 -7.572 -0.259 -4.599 277 HA SER 39 HA SER 39 -8.727 2.397 -5.041 278 HB2 SER 39 1HB SER 39 -7.883 2.100 -7.367 279 HB3 SER 39 2HB SER 39 -6.611 1.870 -6.168 280 HG SER 39 HG SER 39 -6.362 -0.088 -6.859 281 H GLY 40 H GLY 40 -9.144 -0.914 -6.316 282 HA2 GLY 40 1HA GLY 40 -11.469 -1.784 -6.472 283 HA3 GLY 40 2HA GLY 40 -11.907 -0.244 -7.203 284 H VAL 41 H VAL 41 -9.262 -0.209 -8.683 285 HA VAL 41 HA VAL 41 -10.151 -1.619 -11.050 286 HB VAL 41 HB VAL 41 -8.223 -0.554 -12.169 287 HG11 VAL 41 1HG1 VAL 41 -8.921 1.787 -11.969 288 HG12 VAL 41 2HG1 VAL 41 -9.778 1.414 -10.471 289 HG13 VAL 41 3HG1 VAL 41 -10.310 0.704 -11.999 290 HG21 VAL 41 3HG2 VAL 41 -6.735 1.036 -10.988 291 HG22 VAL 41 1HG2 VAL 41 -6.551 -0.606 -10.374 292 HG23 VAL 41 2HG2 VAL 41 -7.472 0.582 -9.448 293 HA PRO 42 HA PRO 42 -7.773 -5.430 -10.657 294 HB2 PRO 42 1HB PRO 42 -6.997 -4.931 -13.543 295 HB3 PRO 42 2HB PRO 42 -7.643 -6.401 -12.790 296 HG2 PRO 42 1HG PRO 42 -9.247 -4.848 -14.246 297 HG3 PRO 42 2HG PRO 42 -9.844 -5.556 -12.727 298 HD2 PRO 42 1HD PRO 42 -8.935 -2.733 -13.279 299 HD3 PRO 42 2HD PRO 42 -10.281 -3.310 -12.273 300 H LYS 43 H LYS 43 -5.631 -6.285 -10.663 301 HA LYS 43 HA LYS 43 -3.574 -4.564 -9.790 302 HB2 LYS 43 1HB LYS 43 -3.282 -7.391 -10.894 303 HB3 LYS 43 2HB LYS 43 -2.131 -6.565 -9.848 304 HG2 LYS 43 1HG LYS 43 -3.685 -6.636 -7.989 305 HG3 LYS 43 2HG LYS 43 -4.960 -7.281 -9.022 306 HD2 LYS 43 1HD LYS 43 -2.344 -8.745 -8.462 307 HD3 LYS 43 2HD LYS 43 -3.817 -8.986 -7.527 308 HE2 LYS 43 1HE LYS 43 -3.719 -10.763 -9.118 309 HE3 LYS 43 2HE LYS 43 -4.965 -9.662 -9.692 310 HZ1 LYS 43 3HZ LYS 43 -3.490 -10.487 -11.460 311 HZ2 LYS 43 1HZ LYS 43 -2.170 -9.750 -10.712 312 HZ3 LYS 43 2HZ LYS 43 -3.432 -8.809 -11.330 313 H GLU 44 H GLU 44 -4.295 -5.973 -12.916 314 HA GLU 44 HA GLU 44 -1.828 -5.259 -14.223 315 HB2 GLU 44 1HB GLU 44 -4.494 -6.244 -15.320 316 HB3 GLU 44 2HB GLU 44 -3.001 -6.131 -16.257 317 HG2 GLU 44 1HG GLU 44 -1.940 -7.863 -14.976 318 HG3 GLU 44 2HG GLU 44 -3.191 -7.807 -13.733 319 H GLU 45 H GLU 45 -4.635 -3.507 -13.451 320 HA GLU 45 HA GLU 45 -4.263 -1.435 -15.483 321 HB2 GLU 45 1HB GLU 45 -6.148 -1.662 -13.104 322 HB3 GLU 45 2HB GLU 45 -6.145 -0.305 -14.224 323 HG2 GLU 45 1HG GLU 45 -6.679 -3.182 -15.025 324 HG3 GLU 45 2HG GLU 45 -7.931 -1.997 -14.661 325 H ILE 46 H ILE 46 -2.726 -2.328 -12.704 326 HA ILE 46 HA ILE 46 -1.980 0.422 -11.882 327 HB ILE 46 HB ILE 46 -1.782 -2.129 -10.200 328 HG12 ILE 46 1HG1 ILE 46 -3.953 0.026 -10.027 329 HG13 ILE 46 2HG1 ILE 46 -4.182 -1.565 -10.737 330 HG21 ILE 46 1HG2 ILE 46 -1.557 0.806 -9.390 331 HG22 ILE 46 2HG2 ILE 46 -0.223 -0.342 -9.507 332 HG23 ILE 46 3HG2 ILE 46 -1.474 -0.573 -8.289 333 HD11 ILE 46 3HD1 ILE 46 -3.549 -0.979 -7.855 334 HD12 ILE 46 1HD1 ILE 46 -3.734 -2.590 -8.558 335 HD13 ILE 46 2HD1 ILE 46 -5.102 -1.478 -8.523 336 H SER 47 H SER 47 0.164 0.936 -11.940 337 HA SER 47 HA SER 47 2.237 -1.163 -12.258 338 HB2 SER 47 1HB SER 47 2.108 1.489 -13.794 339 HB3 SER 47 2HB SER 47 3.411 0.293 -13.895 340 HG SER 47 HG SER 47 1.634 -1.201 -14.551 341 H ARG 48 H ARG 48 4.376 -0.391 -11.497 342 HA ARG 48 HA ARG 48 4.319 1.227 -9.154 343 HB2 ARG 48 1HB ARG 48 6.749 0.403 -10.794 344 HB3 ARG 48 2HB ARG 48 6.780 1.036 -9.150 345 HG2 ARG 48 1HG ARG 48 5.493 -0.979 -8.394 346 HG3 ARG 48 2HG ARG 48 5.595 -1.615 -10.037 347 HD2 ARG 48 1HD ARG 48 7.897 -1.097 -8.124 348 HD3 ARG 48 2HD ARG 48 7.318 -2.662 -8.704 349 HE ARG 48 HE ARG 48 8.299 -0.778 -10.714 350 HH11 ARG 48 1HH1 ARG 48 8.977 -3.690 -8.854 351 HH12 ARG 48 2HH1 ARG 48 10.361 -4.105 -9.811 352 HH21 ARG 48 1HH2 ARG 48 10.111 -1.351 -11.942 353 HH22 ARG 48 2HH2 ARG 48 11.001 -2.785 -11.544 354 H ASP 49 H ASP 49 5.073 1.815 -12.501 355 HA ASP 49 HA ASP 49 6.232 4.371 -12.446 356 HB2 ASP 49 1HB ASP 49 4.423 3.257 -14.646 357 HB3 ASP 49 2HB ASP 49 5.653 4.502 -14.829 358 H SER 50 H SER 50 3.010 3.441 -11.819 359 HA SER 50 HA SER 50 1.604 5.741 -12.769 360 HB2 SER 50 1HB SER 50 0.586 3.448 -12.564 361 HB3 SER 50 2HB SER 50 0.698 3.588 -10.812 362 HG SER 50 HG SER 50 -1.070 4.776 -12.595 363 H ARG 51 H ARG 51 0.492 7.296 -11.478 364 HA ARG 51 HA ARG 51 1.785 8.065 -8.952 365 HB2 ARG 51 1HB ARG 51 -0.253 9.502 -10.723 366 HB3 ARG 51 2HB ARG 51 0.408 10.172 -9.235 367 HG2 ARG 51 1HG ARG 51 2.069 9.426 -11.664 368 HG3 ARG 51 2HG ARG 51 1.497 11.055 -11.304 369 HD2 ARG 51 1HD ARG 51 2.827 11.133 -9.272 370 HD3 ARG 51 2HD ARG 51 3.281 9.436 -9.453 371 HE ARG 51 HE ARG 51 4.258 10.368 -11.698 372 HH11 ARG 51 1HH1 ARG 51 4.424 11.992 -8.587 373 HH12 ARG 51 2HH1 ARG 51 5.995 12.651 -8.899 374 HH21 ARG 51 1HH2 ARG 51 6.313 11.231 -12.074 375 HH22 ARG 51 2HH2 ARG 51 7.060 12.225 -10.861 376 H MET 52 H MET 52 0.067 9.142 -7.382 377 HA MET 52 HA MET 52 -1.924 7.046 -6.718 378 HB2 MET 52 1HB MET 52 -0.269 8.879 -4.943 379 HB3 MET 52 2HB MET 52 -1.631 7.939 -4.342 380 HG2 MET 52 1HG MET 52 -0.480 5.868 -5.052 381 HG3 MET 52 2HG MET 52 0.901 6.845 -5.567 382 HE1 MET 52 3HE MET 52 1.933 4.970 -2.210 383 HE2 MET 52 1HE MET 52 2.254 5.090 -3.939 384 HE3 MET 52 2HE MET 52 0.741 4.381 -3.367 385 H GLU 53 H GLU 53 -3.846 7.686 -7.264 386 HA GLU 53 HA GLU 53 -4.939 10.246 -6.267 387 HB2 GLU 53 1HB GLU 53 -5.615 8.993 -8.984 388 HB3 GLU 53 2HB GLU 53 -6.298 10.477 -8.321 389 HG2 GLU 53 1HG GLU 53 -4.095 11.571 -8.453 390 HG3 GLU 53 2HG GLU 53 -3.381 10.085 -9.070 391 H ASP 54 H ASP 54 -5.691 7.125 -7.772 392 HA ASP 54 HA ASP 54 -8.065 6.690 -6.072 393 HB2 ASP 54 1HB ASP 54 -7.014 5.060 -8.452 394 HB3 ASP 54 2HB ASP 54 -8.588 4.874 -7.681 395 H LEU 55 H LEU 55 -4.872 5.431 -6.810 396 HA LEU 55 HA LEU 55 -5.129 2.844 -5.709 397 HB2 LEU 55 1HB LEU 55 -2.576 4.425 -6.218 398 HB3 LEU 55 2HB LEU 55 -2.701 2.678 -6.054 399 HG LEU 55 HG LEU 55 -3.930 4.314 -8.304 400 HD11 LEU 55 1HD1 LEU 55 -1.501 4.274 -8.488 401 HD12 LEU 55 2HD1 LEU 55 -2.243 3.324 -9.769 402 HD13 LEU 55 3HD1 LEU 55 -1.502 2.513 -8.387 403 HD21 LEU 55 3HD2 LEU 55 -5.278 2.327 -7.850 404 HD22 LEU 55 1HD2 LEU 55 -3.844 1.300 -7.961 405 HD23 LEU 55 2HD2 LEU 55 -4.432 2.162 -9.384 406 H ALA 56 H ALA 56 -3.737 5.834 -4.385 407 HA ALA 56 HA ALA 56 -4.316 5.163 -1.684 408 HB1 ALA 56 3HB ALA 56 -2.330 3.700 -1.914 409 HB2 ALA 56 1HB ALA 56 -2.013 5.018 -0.783 410 HB3 ALA 56 2HB ALA 56 -1.358 5.080 -2.424 411 H PHE 57 H PHE 57 -5.329 7.240 -1.904 412 HA PHE 57 HA PHE 57 -3.569 9.484 -1.343 413 HB2 PHE 57 1HB PHE 57 -3.695 9.467 -3.851 414 HB3 PHE 57 2HB PHE 57 -5.442 9.615 -3.747 415 HD1 PHE 57 HD1 PHE 57 -6.493 11.774 -3.109 416 HD2 PHE 57 HD2 PHE 57 -2.233 11.390 -3.350 417 HE1 PHE 57 HE1 PHE 57 -6.261 14.214 -3.040 418 HE2 PHE 57 HE2 PHE 57 -2.017 13.842 -3.280 419 HZ PHE 57 HZ PHE 57 -4.030 15.254 -3.121 420 H ASP 58 H ASP 58 -6.915 8.560 -2.096 421 HA ASP 58 HA ASP 58 -8.203 10.508 -0.516 422 HB2 ASP 58 1HB ASP 58 -9.395 9.254 -2.251 423 HB3 ASP 58 2HB ASP 58 -9.145 7.743 -1.386 424 H SER 59 H SER 59 -9.059 10.417 1.609 425 HA SER 59 HA SER 59 -7.320 9.468 3.562 426 HB2 SER 59 1HB SER 59 -9.105 10.167 5.189 427 HB3 SER 59 2HB SER 59 -8.768 11.390 3.960 428 HG SER 59 HG SER 59 -10.849 11.311 3.636 429 H LEU 60 H LEU 60 -10.458 8.132 2.511 430 HA LEU 60 HA LEU 60 -10.633 5.993 4.365 431 HB2 LEU 60 1HB LEU 60 -12.559 6.866 3.087 432 HB3 LEU 60 2HB LEU 60 -11.841 6.289 1.592 433 HG LEU 60 HG LEU 60 -12.062 3.925 2.465 434 HD11 LEU 60 1HD1 LEU 60 -13.695 5.203 4.686 435 HD12 LEU 60 2HD1 LEU 60 -12.145 4.381 4.868 436 HD13 LEU 60 3HD1 LEU 60 -13.561 3.470 4.359 437 HD21 LEU 60 3HD2 LEU 60 -13.689 4.861 0.881 438 HD22 LEU 60 1HD2 LEU 60 -14.662 5.477 2.220 439 HD23 LEU 60 2HD2 LEU 60 -14.459 3.737 1.996 440 H VAL 61 H VAL 61 -9.256 6.218 1.090 441 HA VAL 61 HA VAL 61 -8.631 3.488 0.699 442 HB VAL 61 HB VAL 61 -7.205 5.933 -0.492 443 HG11 VAL 61 1HG1 VAL 61 -7.153 3.026 -1.417 444 HG12 VAL 61 2HG1 VAL 61 -5.804 3.926 -0.720 445 HG13 VAL 61 3HG1 VAL 61 -6.453 4.393 -2.291 446 HG21 VAL 61 3HG2 VAL 61 -9.469 4.237 -1.633 447 HG22 VAL 61 1HG2 VAL 61 -8.658 5.572 -2.461 448 HG23 VAL 61 2HG2 VAL 61 -9.621 5.884 -1.017 449 H VAL 62 H VAL 62 -6.734 6.145 2.104 450 HA VAL 62 HA VAL 62 -4.334 4.641 2.586 451 HB VAL 62 HB VAL 62 -5.277 7.331 3.701 452 HG11 VAL 62 1HG1 VAL 62 -2.513 6.071 3.908 453 HG12 VAL 62 2HG1 VAL 62 -3.620 6.407 5.240 454 HG13 VAL 62 3HG1 VAL 62 -2.904 7.742 4.338 455 HG21 VAL 62 3HG2 VAL 62 -3.689 8.291 2.032 456 HG22 VAL 62 1HG2 VAL 62 -4.964 7.342 1.265 457 HG23 VAL 62 2HG2 VAL 62 -3.342 6.666 1.434 458 H SER 63 H SER 63 -7.260 5.290 4.458 459 HA SER 63 HA SER 63 -6.408 4.316 6.994 460 HB2 SER 63 1HB SER 63 -9.204 4.432 5.773 461 HB3 SER 63 2HB SER 63 -8.864 4.083 7.472 462 HG SER 63 HG SER 63 -8.834 6.469 6.114 463 H GLU 64 H GLU 64 -7.988 2.788 4.194 464 HA GLU 64 HA GLU 64 -8.119 0.148 5.317 465 HB2 GLU 64 1HB GLU 64 -9.648 0.964 3.490 466 HB3 GLU 64 2HB GLU 64 -8.283 0.962 2.375 467 HG2 GLU 64 1HG GLU 64 -8.017 -1.496 2.763 468 HG3 GLU 64 2HG GLU 64 -9.435 -1.469 3.805 469 H LEU 65 H LEU 65 -5.772 1.956 3.411 470 HA LEU 65 HA LEU 65 -4.161 -0.179 2.499 471 HB2 LEU 65 1HB LEU 65 -4.068 2.120 1.552 472 HB3 LEU 65 2HB LEU 65 -3.370 2.701 3.056 473 HG LEU 65 HG LEU 65 -1.361 1.239 2.643 474 HD11 LEU 65 1HD1 LEU 65 -0.979 0.282 0.405 475 HD12 LEU 65 2HD1 LEU 65 -2.622 0.725 -0.073 476 HD13 LEU 65 3HD1 LEU 65 -2.361 -0.467 1.203 477 HD21 LEU 65 3HD2 LEU 65 -0.359 2.660 0.895 478 HD22 LEU 65 1HD2 LEU 65 -1.289 3.612 2.050 479 HD23 LEU 65 2HD2 LEU 65 -1.961 3.261 0.456 480 H SER 66 H SER 66 -3.931 1.932 5.363 481 HA SER 66 HA SER 66 -1.601 0.720 6.492 482 HB2 SER 66 1HB SER 66 -2.322 2.047 8.557 483 HB3 SER 66 2HB SER 66 -2.108 3.004 7.093 484 HG SER 66 HG SER 66 -4.142 3.483 7.123 485 H LEU 67 H LEU 67 -5.080 0.150 6.802 486 HA LEU 67 HA LEU 67 -5.028 -1.737 8.939 487 HB2 LEU 67 1HB LEU 67 -7.046 -0.496 8.135 488 HB3 LEU 67 2HB LEU 67 -7.016 -1.410 6.644 489 HG LEU 67 HG LEU 67 -8.779 -2.065 8.408 490 HD11 LEU 67 1HD1 LEU 67 -7.020 -4.311 7.378 491 HD12 LEU 67 2HD1 LEU 67 -8.320 -3.517 6.488 492 HD13 LEU 67 3HD1 LEU 67 -8.692 -4.461 7.927 493 HD21 LEU 67 3HD2 LEU 67 -7.348 -1.988 10.405 494 HD22 LEU 67 1HD2 LEU 67 -6.402 -3.351 9.800 495 HD23 LEU 67 2HD2 LEU 67 -8.099 -3.571 10.227 496 H LYS 68 H LYS 68 -4.742 -2.035 5.420 497 HA LYS 68 HA LYS 68 -4.479 -4.864 5.268 498 HB2 LYS 68 1HB LYS 68 -4.085 -2.567 3.391 499 HB3 LYS 68 2HB LYS 68 -3.084 -3.968 3.040 500 HG2 LYS 68 1HG LYS 68 -5.133 -4.003 1.726 501 HG3 LYS 68 2HG LYS 68 -5.065 -5.382 2.824 502 HD2 LYS 68 1HD LYS 68 -6.645 -4.242 4.353 503 HD3 LYS 68 2HD LYS 68 -6.688 -2.847 3.270 504 HE2 LYS 68 1HE LYS 68 -8.666 -4.238 2.939 505 HE3 LYS 68 2HE LYS 68 -7.660 -4.278 1.490 506 HZ1 LYS 68 3HZ LYS 68 -6.792 -6.415 2.230 507 HZ2 LYS 68 1HZ LYS 68 -8.472 -6.460 2.059 508 HZ3 LYS 68 2HZ LYS 68 -7.781 -6.359 3.598 509 H LEU 69 H LEU 69 -2.121 -2.200 5.590 510 HA LEU 69 HA LEU 69 0.211 -3.800 5.396 511 HB2 LEU 69 1HB LEU 69 -0.242 -1.077 6.665 512 HB3 LEU 69 2HB LEU 69 1.343 -1.826 6.552 513 HG LEU 69 HG LEU 69 -0.398 -1.002 4.191 514 HD11 LEU 69 1HD1 LEU 69 1.303 0.715 3.758 515 HD12 LEU 69 2HD1 LEU 69 2.173 0.243 5.221 516 HD13 LEU 69 3HD1 LEU 69 0.553 0.936 5.338 517 HD21 LEU 69 3HD2 LEU 69 1.522 -1.588 2.762 518 HD22 LEU 69 1HD2 LEU 69 0.908 -2.999 3.620 519 HD23 LEU 69 2HD2 LEU 69 2.393 -2.213 4.165 520 H ARG 70 H ARG 70 -1.914 -3.051 8.111 521 HA ARG 70 HA ARG 70 -0.421 -4.129 10.227 522 HB2 ARG 70 1HB ARG 70 -3.270 -3.489 9.723 523 HB3 ARG 70 2HB ARG 70 -3.116 -4.894 10.759 524 HG2 ARG 70 1HG ARG 70 -1.778 -2.232 11.334 525 HG3 ARG 70 2HG ARG 70 -3.353 -2.706 11.971 526 HD2 ARG 70 1HD ARG 70 -2.395 -4.494 13.269 527 HD3 ARG 70 2HD ARG 70 -0.850 -4.363 12.425 528 HE ARG 70 HE ARG 70 -0.351 -2.396 13.612 529 HH11 ARG 70 1HH1 ARG 70 -3.352 -3.807 14.780 530 HH12 ARG 70 2HH1 ARG 70 -3.312 -2.928 16.272 531 HH21 ARG 70 1HH2 ARG 70 -0.313 -1.270 15.556 532 HH22 ARG 70 2HH2 ARG 70 -1.591 -1.477 16.712 533 H LYS 71 H LYS 71 -2.625 -5.714 7.943 534 HA LYS 71 HA LYS 71 -2.404 -8.349 9.038 535 HB2 LYS 71 1HB LYS 71 -4.409 -7.561 7.802 536 HB3 LYS 71 2HB LYS 71 -3.456 -7.382 6.342 537 HG2 LYS 71 1HG LYS 71 -4.717 -9.358 6.057 538 HG3 LYS 71 2HG LYS 71 -3.078 -9.898 6.396 539 HD2 LYS 71 1HD LYS 71 -5.170 -9.724 8.591 540 HD3 LYS 71 2HD LYS 71 -5.071 -11.129 7.539 541 HE2 LYS 71 1HE LYS 71 -2.771 -11.556 8.293 542 HE3 LYS 71 2HE LYS 71 -2.829 -10.122 9.322 543 HZ1 LYS 71 3HZ LYS 71 -4.562 -12.521 9.604 544 HZ2 LYS 71 1HZ LYS 71 -4.612 -11.149 10.590 545 HZ3 LYS 71 2HZ LYS 71 -3.242 -12.133 10.585 546 H GLU 72 H GLU 72 -0.855 -6.656 6.355 547 HA GLU 72 HA GLU 72 0.214 -9.056 5.139 548 HB2 GLU 72 1HB GLU 72 0.589 -6.120 4.398 549 HB3 GLU 72 2HB GLU 72 1.064 -7.491 3.405 550 HG2 GLU 72 1HG GLU 72 -1.773 -6.728 4.154 551 HG3 GLU 72 2HG GLU 72 -1.004 -6.427 2.601 552 H PHE 73 H PHE 73 1.579 -6.097 6.669 553 HA PHE 73 HA PHE 73 4.209 -7.453 6.891 554 HB2 PHE 73 1HB PHE 73 3.751 -4.541 6.108 555 HB3 PHE 73 2HB PHE 73 5.324 -5.300 6.349 556 HD1 PHE 73 HD1 PHE 73 6.120 -7.060 4.729 557 HD2 PHE 73 HD2 PHE 73 2.533 -4.836 4.031 558 HE1 PHE 73 HE1 PHE 73 6.146 -7.746 2.373 559 HE2 PHE 73 HE2 PHE 73 2.570 -5.527 1.675 560 HZ PHE 73 HZ PHE 73 4.377 -6.978 0.837 561 H GLY 74 H GLY 74 1.754 -6.208 8.708 562 HA2 GLY 74 1HA GLY 74 1.553 -5.672 10.934 563 HA3 GLY 74 2HA GLY 74 3.265 -6.020 11.129 564 H VAL 75 H VAL 75 2.748 -3.706 8.708 565 HA VAL 75 HA VAL 75 4.132 -1.691 10.253 566 HB VAL 75 HB VAL 75 3.205 -1.695 7.330 567 HG11 VAL 75 1HG1 VAL 75 4.738 0.217 6.982 568 HG12 VAL 75 2HG1 VAL 75 5.075 0.269 8.716 569 HG13 VAL 75 3HG1 VAL 75 3.452 0.614 8.123 570 HG21 VAL 75 3HG2 VAL 75 5.562 -2.162 6.774 571 HG22 VAL 75 1HG2 VAL 75 4.910 -3.421 7.823 572 HG23 VAL 75 2HG2 VAL 75 5.985 -2.190 8.489 573 H THR 76 H THR 76 3.195 -0.023 11.293 574 HA THR 76 HA THR 76 0.619 1.121 10.466 575 HB THR 76 HB THR 76 0.982 0.107 13.334 576 HG1 THR 76 HG1 THR 76 -0.060 -1.153 11.046 577 HG21 THR 76 3HG2 THR 76 -1.458 0.427 13.514 578 HG22 THR 76 1HG2 THR 76 -1.523 1.004 11.843 579 HG23 THR 76 2HG2 THR 76 -0.675 1.943 13.073 580 H GLY 77 H GLY 77 0.188 3.178 11.549 581 HA2 GLY 77 1HA GLY 77 0.772 5.098 12.759 582 HA3 GLY 77 2HA GLY 77 2.398 4.468 12.992 583 H VAL 78 H VAL 78 2.220 3.791 9.976 584 HA VAL 78 HA VAL 78 3.611 6.131 9.022 585 HB VAL 78 HB VAL 78 4.026 4.798 6.987 586 HG11 VAL 78 1HG1 VAL 78 5.300 2.940 7.989 587 HG12 VAL 78 2HG1 VAL 78 4.450 3.172 9.522 588 HG13 VAL 78 3HG1 VAL 78 5.508 4.438 8.894 589 HG21 VAL 78 3HG2 VAL 78 2.214 2.662 8.202 590 HG22 VAL 78 1HG2 VAL 78 3.160 2.508 6.716 591 HG23 VAL 78 2HG2 VAL 78 1.834 3.664 6.800 592 H ASP 79 H ASP 79 0.445 5.815 9.405 593 HA ASP 79 HA ASP 79 -0.920 5.989 7.025 594 HB2 ASP 79 1HB ASP 79 -1.953 5.735 9.263 595 HB3 ASP 79 2HB ASP 79 -1.554 7.404 9.650 596 H ASP 80 H ASP 80 0.607 8.589 8.858 597 HA ASP 80 HA ASP 80 -0.144 10.826 7.286 598 HB2 ASP 80 1HB ASP 80 2.459 10.542 8.874 599 HB3 ASP 80 2HB ASP 80 1.638 12.035 8.436 600 H GLU 81 H GLU 81 2.679 8.709 7.264 601 HA GLU 81 HA GLU 81 4.160 10.042 5.236 602 HB2 GLU 81 1HB GLU 81 5.117 8.601 7.036 603 HB3 GLU 81 2HB GLU 81 4.389 7.190 6.280 604 HG2 GLU 81 1HG GLU 81 5.836 7.439 4.327 605 HG3 GLU 81 2HG GLU 81 6.483 8.949 4.970 606 H LEU 82 H LEU 82 1.710 7.529 5.184 607 HA LEU 82 HA LEU 82 1.978 6.657 2.473 608 HB2 LEU 82 1HB LEU 82 -0.438 6.593 4.337 609 HB3 LEU 82 2HB LEU 82 -0.368 5.785 2.779 610 HG LEU 82 HG LEU 82 1.406 5.115 5.156 611 HD11 LEU 82 1HD1 LEU 82 0.057 3.071 5.392 612 HD12 LEU 82 2HD1 LEU 82 -1.020 3.627 4.106 613 HD13 LEU 82 3HD1 LEU 82 -0.920 4.522 5.626 614 HD21 LEU 82 3HD2 LEU 82 2.053 3.116 3.873 615 HD22 LEU 82 1HD2 LEU 82 2.511 4.596 3.031 616 HD23 LEU 82 2HD2 LEU 82 1.097 3.680 2.500 617 H ASP 83 H ASP 83 0.121 9.123 4.145 618 HA ASP 83 HA ASP 83 -1.360 10.182 1.984 619 HB2 ASP 83 1HB ASP 83 -2.107 10.727 4.169 620 HB3 ASP 83 2HB ASP 83 -0.516 11.248 4.699 621 H LEU 84 H LEU 84 1.938 10.758 3.091 622 HA LEU 84 HA LEU 84 2.406 13.012 1.343 623 HB2 LEU 84 1HB LEU 84 4.059 11.468 3.316 624 HB3 LEU 84 2HB LEU 84 4.934 12.327 2.067 625 HG LEU 84 HG LEU 84 4.832 13.700 4.086 626 HD11 LEU 84 1HD1 LEU 84 3.916 15.777 3.154 627 HD12 LEU 84 2HD1 LEU 84 3.038 14.862 1.926 628 HD13 LEU 84 3HD1 LEU 84 4.802 14.872 1.926 629 HD21 LEU 84 3HD2 LEU 84 2.718 14.560 5.010 630 HD22 LEU 84 1HD2 LEU 84 2.795 12.801 5.114 631 HD23 LEU 84 2HD2 LEU 84 1.803 13.565 3.870 632 H LEU 85 H LEU 85 2.485 9.591 0.876 633 HA LEU 85 HA LEU 85 4.371 9.483 -1.287 634 HB2 LEU 85 1HB LEU 85 2.034 7.633 -0.658 635 HB3 LEU 85 2HB LEU 85 3.309 7.285 -1.816 636 HG LEU 85 HG LEU 85 3.686 7.580 1.185 637 HD11 LEU 85 1HD1 LEU 85 4.090 5.154 1.174 638 HD12 LEU 85 2HD1 LEU 85 3.687 5.093 -0.542 639 HD13 LEU 85 3HD1 LEU 85 2.457 5.551 0.639 640 HD21 LEU 85 3HD2 LEU 85 5.706 6.773 -0.934 641 HD22 LEU 85 1HD2 LEU 85 5.979 6.758 0.810 642 HD23 LEU 85 2HD2 LEU 85 5.709 8.286 -0.024 643 H GLU 86 H GLU 86 4.050 9.703 -3.479 644 HA GLU 86 HA GLU 86 1.378 10.531 -4.463 645 HB2 GLU 86 1HB GLU 86 2.988 12.485 -4.156 646 HB3 GLU 86 2HB GLU 86 4.044 11.732 -5.345 647 HG2 GLU 86 1HG GLU 86 2.188 11.891 -7.029 648 HG3 GLU 86 2HG GLU 86 1.222 12.756 -5.835 649 H THR 87 H THR 87 3.986 8.386 -4.689 650 HA THR 87 HA THR 87 3.209 7.512 -7.398 651 HB THR 87 HB THR 87 6.139 7.510 -6.569 652 HG1 THR 87 HG1 THR 87 5.172 9.699 -6.518 653 HG21 THR 87 3HG2 THR 87 5.480 6.163 -8.538 654 HG22 THR 87 1HG2 THR 87 6.520 7.509 -8.992 655 HG23 THR 87 2HG2 THR 87 4.782 7.605 -9.287 656 H VAL 88 H VAL 88 3.509 5.327 -7.784 657 HA VAL 88 HA VAL 88 3.012 3.666 -5.489 658 HB VAL 88 HB VAL 88 3.277 2.888 -8.433 659 HG11 VAL 88 1HG1 VAL 88 1.967 0.879 -7.870 660 HG12 VAL 88 2HG1 VAL 88 1.967 1.345 -6.167 661 HG13 VAL 88 3HG1 VAL 88 3.482 0.929 -6.968 662 HG21 VAL 88 3HG2 VAL 88 0.764 3.583 -6.862 663 HG22 VAL 88 1HG2 VAL 88 0.811 3.003 -8.533 664 HG23 VAL 88 2HG2 VAL 88 1.507 4.570 -8.122 665 H ASP 89 H ASP 89 5.749 4.180 -7.708 666 HA ASP 89 HA ASP 89 7.539 2.191 -6.958 667 HB2 ASP 89 1HB ASP 89 8.200 5.148 -7.341 668 HB3 ASP 89 2HB ASP 89 9.382 3.844 -7.346 669 H GLU 90 H GLU 90 6.880 5.286 -5.354 670 HA GLU 90 HA GLU 90 8.800 5.141 -3.306 671 HB2 GLU 90 1HB GLU 90 6.128 6.601 -3.280 672 HB3 GLU 90 2HB GLU 90 7.487 6.932 -2.207 673 HG2 GLU 90 1HG GLU 90 8.837 7.642 -4.165 674 HG3 GLU 90 2HG GLU 90 7.459 7.323 -5.215 675 H LEU 91 H LEU 91 5.370 4.127 -3.418 676 HA LEU 91 HA LEU 91 5.109 3.290 -0.729 677 HB2 LEU 91 1HB LEU 91 3.184 3.579 -2.193 678 HB3 LEU 91 2HB LEU 91 3.705 2.241 -3.201 679 HG LEU 91 HG LEU 91 3.309 0.665 -1.297 680 HD11 LEU 91 1HD1 LEU 91 3.676 2.162 0.598 681 HD12 LEU 91 2HD1 LEU 91 2.106 1.378 0.718 682 HD13 LEU 91 3HD1 LEU 91 2.212 3.066 0.203 683 HD21 LEU 91 3HD2 LEU 91 0.890 2.369 -1.968 684 HD22 LEU 91 1HD2 LEU 91 0.864 0.714 -1.346 685 HD23 LEU 91 2HD2 LEU 91 1.533 1.043 -2.940 686 H PHE 92 H PHE 92 6.013 1.387 -3.627 687 HA PHE 92 HA PHE 92 6.306 -1.117 -2.386 688 HB2 PHE 92 1HB PHE 92 7.419 0.083 -4.931 689 HB3 PHE 92 2HB PHE 92 8.050 -1.465 -4.384 690 HD1 PHE 92 HD2 PHE 92 4.657 0.133 -4.801 691 HD2 PHE 92 HD1 PHE 92 7.069 -3.351 -5.370 692 HE1 PHE 92 HE2 PHE 92 2.770 -1.016 -5.864 693 HE2 PHE 92 HE1 PHE 92 5.164 -4.480 -6.427 694 HZ PHE 92 HZ PHE 92 3.011 -3.314 -6.683 695 H GLN 93 H GLN 93 8.592 1.567 -2.741 696 HA GLN 93 HA GLN 93 10.836 0.157 -1.593 697 HB2 GLN 93 1HB GLN 93 10.446 3.129 -2.140 698 HB3 GLN 93 2HB GLN 93 11.967 2.392 -1.640 699 HG2 GLN 93 1HG GLN 93 10.513 2.076 -4.273 700 HG3 GLN 93 2HG GLN 93 12.122 2.727 -3.985 701 HE21 GLN 93 2HE2 GLN 93 13.805 1.227 -3.406 702 HE22 GLN 93 1HE2 GLN 93 13.700 -0.434 -3.865 703 H LEU 94 H LEU 94 8.283 2.231 -0.376 704 HA LEU 94 HA LEU 94 9.494 2.900 2.122 705 HB2 LEU 94 1HB LEU 94 7.630 4.217 1.039 706 HB3 LEU 94 2HB LEU 94 6.529 2.900 1.420 707 HG LEU 94 HG LEU 94 7.044 3.252 3.863 708 HD11 LEU 94 1HD1 LEU 94 8.513 5.728 2.903 709 HD12 LEU 94 2HD1 LEU 94 9.244 4.303 3.642 710 HD13 LEU 94 3HD1 LEU 94 8.158 5.315 4.583 711 HD21 LEU 94 3HD2 LEU 94 5.878 5.654 2.413 712 HD22 LEU 94 1HD2 LEU 94 5.668 5.284 4.129 713 HD23 LEU 94 2HD2 LEU 94 5.005 4.201 2.907 714 H VAL 95 H VAL 95 6.840 0.723 1.247 715 HA VAL 95 HA VAL 95 6.419 -0.619 3.628 716 HB VAL 95 HB VAL 95 6.061 -1.545 0.736 717 HG11 VAL 95 1HG1 VAL 95 6.269 -3.567 2.108 718 HG12 VAL 95 2HG1 VAL 95 4.601 -3.364 1.579 719 HG13 VAL 95 3HG1 VAL 95 5.056 -2.960 3.237 720 HG21 VAL 95 3HG2 VAL 95 3.670 -1.066 1.141 721 HG22 VAL 95 1HG2 VAL 95 4.660 0.364 1.435 722 HG23 VAL 95 2HG2 VAL 95 4.036 -0.571 2.798 723 H GLU 96 H GLU 96 8.667 -1.388 0.960 724 HA GLU 96 HA GLU 96 9.778 -3.749 2.034 725 HB2 GLU 96 1HB GLU 96 10.026 -3.066 -0.345 726 HB3 GLU 96 2HB GLU 96 11.049 -1.719 0.141 727 HG2 GLU 96 1HG GLU 96 12.377 -3.595 -0.739 728 HG3 GLU 96 2HG GLU 96 12.772 -3.269 0.946 729 H LYS 97 H LYS 97 10.683 -0.341 2.419 730 HA LYS 97 HA LYS 97 13.146 -0.796 3.800 731 HB2 LYS 97 1HB LYS 97 12.558 1.282 2.525 732 HB3 LYS 97 2HB LYS 97 11.394 1.700 3.779 733 HG2 LYS 97 1HG LYS 97 13.210 1.922 5.423 734 HG3 LYS 97 2HG LYS 97 14.399 1.432 4.209 735 HD2 LYS 97 1HD LYS 97 13.832 3.437 2.852 736 HD3 LYS 97 2HD LYS 97 12.642 3.924 4.064 737 HE2 LYS 97 1HE LYS 97 14.436 4.187 5.727 738 HE3 LYS 97 2HE LYS 97 15.628 3.665 4.536 739 HZ1 LYS 97 3HZ LYS 97 13.946 6.105 4.369 740 HZ2 LYS 97 1HZ LYS 97 15.044 5.602 3.185 741 HZ3 LYS 97 2HZ LYS 97 15.597 6.052 4.718 742 H HIS 98 H HIS 98 9.802 -0.477 4.829 743 HA HIS 98 HA HIS 98 10.329 -0.327 7.674 744 HB2 HIS 98 1HB HIS 98 7.794 -0.798 6.056 745 HB3 HIS 98 2HB HIS 98 7.803 -0.854 7.815 746 HD1 HIS 98 HD1 HIS 98 8.891 1.481 8.902 747 HD2 HIS 98 HD2 HIS 98 7.138 1.702 5.159 748 HE1 HIS 98 HE1 HIS 98 8.373 3.900 8.551 749 HE2 HIS 98 HE2 HIS 98 7.470 4.034 6.216 750 H ARG 99 H ARG 99 9.624 -2.838 5.329 751 HA ARG 99 HA ARG 99 9.093 -4.963 7.210 752 HB2 ARG 99 1HB ARG 99 7.918 -5.003 5.125 753 HB3 ARG 99 2HB ARG 99 9.380 -4.796 4.188 754 HG2 ARG 99 1HG ARG 99 9.068 -7.331 5.788 755 HG3 ARG 99 2HG ARG 99 8.107 -7.140 4.323 756 HD2 ARG 99 1HD ARG 99 10.296 -6.637 3.101 757 HD3 ARG 99 2HD ARG 99 11.128 -7.157 4.569 758 HE ARG 99 HE ARG 99 9.865 -9.336 4.234 759 HH11 ARG 99 1HH1 ARG 99 10.873 -7.331 1.523 760 HH12 ARG 99 2HH1 ARG 99 10.939 -8.664 0.416 761 HH21 ARG 99 1HH2 ARG 99 9.991 -11.069 2.758 762 HH22 ARG 99 2HH2 ARG 99 10.434 -10.771 1.107 763 H ALA 100 H ALA 100 11.848 -3.891 5.288 764 HA ALA 100 HA ALA 100 13.537 -6.155 5.985 765 HB1 ALA 100 3HB ALA 100 13.708 -5.157 3.734 766 HB2 ALA 100 1HB ALA 100 15.243 -5.024 4.595 767 HB3 ALA 100 2HB ALA 100 14.191 -3.613 4.437 768 H ALA 101 H ALA 101 13.424 -2.647 6.575 769 HA ALA 101 HA ALA 101 14.119 -1.274 8.216 770 HB1 ALA 101 3HB ALA 101 12.652 -2.725 9.573 771 HB2 ALA 101 1HB ALA 101 14.008 -2.121 10.531 772 HB3 ALA 101 2HB ALA 101 14.015 -3.784 9.936 773 H GLY 102 H GLY 102 15.892 -1.590 10.402 774 HA2 GLY 102 1HA GLY 102 18.136 -2.583 10.807 775 HA3 GLY 102 2HA GLY 102 18.504 -2.230 9.117 776 H SER 103 H SER 103 18.059 0.140 8.519 777 HA SER 103 HA SER 103 18.695 2.076 10.627 778 HB2 SER 103 1HB SER 103 20.500 1.650 8.185 779 HB3 SER 103 2HB SER 103 20.642 2.979 9.330 780 HG SER 103 HG SER 103 20.681 0.947 10.867 Start of MODEL 8 1 H1 MET 1 1H MET 1 -8.348 18.237 -6.280 2 H2 MET 1 2H MET 1 -8.154 18.155 -7.954 3 H3 MET 1 3H MET 1 -8.895 16.883 -7.129 4 HA MET 1 HA MET 1 -10.717 18.304 -6.501 5 HB2 MET 1 1HB MET 1 -9.200 20.365 -8.166 6 HB3 MET 1 2HB MET 1 -10.888 20.557 -7.704 7 HG2 MET 1 1HG MET 1 -9.450 21.848 -6.228 8 HG3 MET 1 2HG MET 1 -10.234 20.549 -5.323 9 HE1 MET 1 3HE MET 1 -7.715 22.194 -4.207 10 HE2 MET 1 1HE MET 1 -6.739 20.888 -3.533 11 HE3 MET 1 2HE MET 1 -8.487 20.886 -3.310 12 H GLY 2 H GLY 2 -11.674 16.591 -7.578 13 HA2 GLY 2 1HA GLY 2 -13.298 16.497 -9.506 14 HA3 GLY 2 2HA GLY 2 -11.889 16.699 -10.540 15 H SER 3 H SER 3 -13.631 14.538 -10.774 16 HA SER 3 HA SER 3 -11.812 12.321 -10.620 17 HB2 SER 3 1HB SER 3 -12.678 12.207 -8.311 18 HB3 SER 3 2HB SER 3 -14.338 12.240 -8.902 19 HG SER 3 HG SER 3 -12.404 10.194 -9.192 20 H SER 4 H SER 4 -12.298 10.850 -12.187 21 HA SER 4 HA SER 4 -14.504 11.283 -14.006 22 HB2 SER 4 1HB SER 4 -13.482 9.301 -15.221 23 HB3 SER 4 2HB SER 4 -12.371 10.643 -14.958 24 HG SER 4 HG SER 4 -11.928 8.194 -14.329 25 H HIS 5 H HIS 5 -14.067 9.541 -11.136 26 HA HIS 5 HA HIS 5 -15.388 8.276 -9.836 27 HB2 HIS 5 1HB HIS 5 -17.481 8.609 -12.026 28 HB3 HIS 5 2HB HIS 5 -17.796 7.822 -10.488 29 HD1 HIS 5 HD1 HIS 5 -18.212 9.315 -8.469 30 HD2 HIS 5 HD2 HIS 5 -17.166 11.450 -11.871 31 HE1 HIS 5 HE1 HIS 5 -18.740 11.700 -7.944 32 HE2 HIS 5 HE2 HIS 5 -17.884 12.984 -9.929 33 H ASP 6 H ASP 6 -16.924 6.157 -10.049 34 HA ASP 6 HA ASP 6 -15.218 4.061 -10.953 35 HB2 ASP 6 1HB ASP 6 -16.954 2.553 -10.095 36 HB3 ASP 6 2HB ASP 6 -16.656 3.846 -8.939 37 H HIS 7 H HIS 7 -15.696 2.451 -12.486 38 HA HIS 7 HA HIS 7 -17.911 2.777 -14.379 39 HB2 HIS 7 1HB HIS 7 -14.987 2.514 -15.238 40 HB3 HIS 7 2HB HIS 7 -16.361 2.315 -16.322 41 HD1 HIS 7 HD1 HIS 7 -14.406 4.924 -14.479 42 HD2 HIS 7 HD2 HIS 7 -17.631 4.715 -17.086 43 HE1 HIS 7 HE1 HIS 7 -14.826 7.280 -15.214 44 HE2 HIS 7 HE2 HIS 7 -16.724 7.117 -16.854 45 H HIS 8 H HIS 8 -18.836 1.042 -13.367 46 HA HIS 8 HA HIS 8 -17.473 -1.350 -12.624 47 HB2 HIS 8 1HB HIS 8 -20.451 -0.715 -12.809 48 HB3 HIS 8 2HB HIS 8 -19.817 -2.228 -12.170 49 HD1 HIS 8 HD1 HIS 8 -21.359 0.411 -10.769 50 HD2 HIS 8 HD2 HIS 8 -17.537 -1.091 -10.142 51 HE1 HIS 8 HE1 HIS 8 -20.726 1.112 -8.447 52 HE2 HIS 8 HE2 HIS 8 -18.353 0.355 -8.168 53 H HIS 9 H HIS 9 -16.832 -2.908 -13.927 54 HA HIS 9 HA HIS 9 -18.392 -3.647 -16.345 55 HB2 HIS 9 1HB HIS 9 -15.365 -3.751 -15.912 56 HB3 HIS 9 2HB HIS 9 -16.189 -4.442 -17.307 57 HD1 HIS 9 HD1 HIS 9 -14.900 -1.248 -15.932 58 HD2 HIS 9 HD2 HIS 9 -17.271 -2.490 -19.108 59 HE1 HIS 9 HE1 HIS 9 -15.007 0.705 -17.500 60 HE2 HIS 9 HE2 HIS 9 -16.537 -0.035 -19.359 61 H HIS 10 H HIS 10 -18.831 -5.806 -16.610 62 HA HIS 10 HA HIS 10 -18.528 -7.587 -14.325 63 HB2 HIS 10 1HB HIS 10 -19.901 -7.919 -17.037 64 HB3 HIS 10 2HB HIS 10 -19.827 -9.206 -15.838 65 HD1 HIS 10 HD1 HIS 10 -21.980 -9.376 -14.655 66 HD2 HIS 10 HD2 HIS 10 -21.084 -5.425 -15.547 67 HE1 HIS 10 HE1 HIS 10 -23.873 -8.038 -13.727 68 HE2 HIS 10 HE2 HIS 10 -23.235 -5.634 -14.142 69 H SER 11 H SER 11 -16.569 -8.472 -14.066 70 HA SER 11 HA SER 11 -14.842 -9.297 -16.275 71 HB2 SER 11 1HB SER 11 -14.438 -9.500 -13.255 72 HB3 SER 11 2HB SER 11 -13.197 -9.733 -14.487 73 HG SER 11 HG SER 11 -14.299 -7.387 -14.963 74 H SER 12 H SER 12 -17.404 -10.678 -15.890 75 HA SER 12 HA SER 12 -17.102 -13.212 -14.651 76 HB2 SER 12 1HB SER 12 -19.299 -13.671 -15.859 77 HB3 SER 12 2HB SER 12 -19.299 -12.230 -14.841 78 HG SER 12 HG SER 12 -20.197 -11.995 -17.017 79 H GLY 13 H GLY 13 -16.268 -11.978 -17.777 80 HA2 GLY 13 1HA GLY 13 -15.971 -14.500 -19.150 81 HA3 GLY 13 2HA GLY 13 -15.355 -12.930 -19.655 82 H ARG 14 H ARG 14 -13.221 -13.304 -20.069 83 HA ARG 14 HA ARG 14 -11.023 -13.762 -19.837 84 HB2 ARG 14 1HB ARG 14 -11.619 -13.421 -16.865 85 HB3 ARG 14 2HB ARG 14 -9.994 -13.525 -17.540 86 HG2 ARG 14 1HG ARG 14 -10.323 -11.465 -18.792 87 HG3 ARG 14 2HG ARG 14 -12.008 -11.372 -18.275 88 HD2 ARG 14 1HD ARG 14 -11.312 -11.015 -15.957 89 HD3 ARG 14 2HD ARG 14 -9.616 -11.246 -16.402 90 HE ARG 14 HE ARG 14 -10.290 -9.230 -18.006 91 HH11 ARG 14 1HH1 ARG 14 -10.813 -9.575 -14.553 92 HH12 ARG 14 2HH1 ARG 14 -10.792 -7.864 -14.273 93 HH21 ARG 14 1HH2 ARG 14 -10.239 -7.019 -17.604 94 HH22 ARG 14 2HH2 ARG 14 -10.449 -6.424 -15.990 95 H GLU 15 H GLU 15 -11.678 -15.817 -20.696 96 HA GLU 15 HA GLU 15 -11.475 -18.172 -18.894 97 HB2 GLU 15 1HB GLU 15 -12.666 -19.391 -20.698 98 HB3 GLU 15 2HB GLU 15 -13.583 -17.981 -20.181 99 HG2 GLU 15 1HG GLU 15 -12.625 -16.731 -22.170 100 HG3 GLU 15 2HG GLU 15 -11.947 -18.260 -22.723 101 H ASN 16 H ASN 16 -9.365 -16.392 -20.330 102 HA ASN 16 HA ASN 16 -8.105 -18.102 -22.316 103 HB2 ASN 16 1HB ASN 16 -6.520 -16.169 -22.537 104 HB3 ASN 16 2HB ASN 16 -8.206 -15.689 -22.699 105 HD21 ASN 16 2HD2 ASN 16 -5.366 -15.521 -20.649 106 HD22 ASN 16 1HD2 ASN 16 -5.940 -14.236 -19.644 107 H LEU 17 H LEU 17 -8.173 -19.116 -19.532 108 HA LEU 17 HA LEU 17 -6.946 -20.373 -18.147 109 HB2 LEU 17 1HB LEU 17 -5.633 -21.006 -20.180 110 HB3 LEU 17 2HB LEU 17 -4.531 -19.682 -19.862 111 HG LEU 17 HG LEU 17 -3.842 -20.807 -17.725 112 HD11 LEU 17 1HD1 LEU 17 -5.627 -23.085 -18.662 113 HD12 LEU 17 2HD1 LEU 17 -5.866 -22.084 -17.228 114 HD13 LEU 17 3HD1 LEU 17 -4.481 -23.168 -17.320 115 HD21 LEU 17 3HD2 LEU 17 -2.521 -22.615 -18.790 116 HD22 LEU 17 1HD2 LEU 17 -2.503 -21.139 -19.751 117 HD23 LEU 17 2HD2 LEU 17 -3.520 -22.494 -20.239 118 H TYR 18 H TYR 18 -5.742 -20.152 -16.241 119 HA TYR 18 HA TYR 18 -5.756 -17.490 -15.165 120 HB2 TYR 18 1HB TYR 18 -4.816 -20.077 -13.833 121 HB3 TYR 18 2HB TYR 18 -5.262 -18.580 -13.016 122 HD1 TYR 18 HD1 TYR 18 -7.688 -17.878 -12.914 123 HD2 TYR 18 HD2 TYR 18 -6.537 -21.628 -14.621 124 HE1 TYR 18 HE1 TYR 18 -10.015 -18.658 -12.791 125 HE2 TYR 18 HE2 TYR 18 -8.858 -22.402 -14.483 126 HH TYR 18 HH TYR 18 -10.905 -21.887 -13.180 127 H PHE 19 H PHE 19 -4.073 -16.135 -14.838 128 HA PHE 19 HA PHE 19 -1.544 -16.522 -16.018 129 HB2 PHE 19 1HB PHE 19 -2.440 -14.268 -15.754 130 HB3 PHE 19 2HB PHE 19 -2.500 -14.443 -14.004 131 HD1 PHE 19 HD2 PHE 19 -0.022 -14.489 -16.847 132 HD2 PHE 19 HD1 PHE 19 -0.704 -13.574 -12.717 133 HE1 PHE 19 HE2 PHE 19 2.240 -13.535 -16.676 134 HE2 PHE 19 HE1 PHE 19 1.562 -12.630 -12.557 135 HZ PHE 19 HZ PHE 19 3.038 -12.611 -14.533 136 H GLN 20 H GLN 20 -0.143 -18.014 -15.292 137 HA GLN 20 HA GLN 20 0.665 -17.978 -12.459 138 HB2 GLN 20 1HB GLN 20 1.007 -20.424 -12.523 139 HB3 GLN 20 2HB GLN 20 -0.672 -19.981 -12.768 140 HG2 GLN 20 1HG GLN 20 -0.622 -21.497 -14.454 141 HG3 GLN 20 2HG GLN 20 0.161 -20.224 -15.379 142 HE21 GLN 20 2HE2 GLN 20 0.377 -23.130 -15.636 143 HE22 GLN 20 1HE2 GLN 20 2.054 -23.510 -15.487 144 H GLY 21 H GLY 21 2.663 -17.247 -12.327 145 HA2 GLY 21 1HA GLY 21 4.676 -17.756 -14.432 146 HA3 GLY 21 2HA GLY 21 4.810 -16.610 -13.098 147 H HIS 22 H HIS 22 4.244 -20.089 -13.577 148 HA HIS 22 HA HIS 22 4.761 -21.962 -12.470 149 HB2 HIS 22 1HB HIS 22 7.234 -20.434 -11.536 150 HB3 HIS 22 2HB HIS 22 6.977 -22.157 -11.277 151 HD1 HIS 22 HD1 HIS 22 7.576 -23.717 -13.203 152 HD2 HIS 22 HD2 HIS 22 7.608 -19.717 -14.325 153 HE1 HIS 22 HE1 HIS 22 8.595 -23.666 -15.490 154 HE2 HIS 22 HE2 HIS 22 8.377 -21.271 -16.231 155 H MET 23 H MET 23 6.008 -19.674 -10.023 156 HA MET 23 HA MET 23 3.664 -20.237 -8.293 157 HB2 MET 23 1HB MET 23 6.425 -19.212 -7.477 158 HB3 MET 23 2HB MET 23 5.087 -19.546 -6.382 159 HG2 MET 23 1HG MET 23 5.206 -21.950 -7.036 160 HG3 MET 23 2HG MET 23 6.613 -21.578 -8.031 161 HE1 MET 23 3HE MET 23 8.115 -19.400 -6.078 162 HE2 MET 23 1HE MET 23 8.965 -20.669 -6.960 163 HE3 MET 23 2HE MET 23 9.217 -20.481 -5.225 164 HA PRO 24 HA PRO 24 3.122 -15.894 -9.844 165 HB2 PRO 24 1HB PRO 24 0.425 -15.859 -9.978 166 HB3 PRO 24 2HB PRO 24 1.382 -16.802 -11.131 167 HG2 PRO 24 1HG PRO 24 -0.053 -17.751 -8.653 168 HG3 PRO 24 2HG PRO 24 -0.049 -18.457 -10.285 169 HD2 PRO 24 1HD PRO 24 1.572 -19.359 -8.237 170 HD3 PRO 24 2HD PRO 24 1.989 -19.518 -9.958 171 H ASN 25 H ASN 25 3.934 -16.050 -7.264 172 HA ASN 25 HA ASN 25 2.334 -14.021 -5.934 173 HB2 ASN 25 1HB ASN 25 2.287 -15.144 -3.758 174 HB3 ASN 25 2HB ASN 25 1.482 -16.155 -4.945 175 HD21 ASN 25 2HD2 ASN 25 3.990 -17.263 -6.064 176 HD22 ASN 25 1HD2 ASN 25 4.595 -18.340 -4.868 177 H ASP 26 H ASP 26 3.549 -12.623 -4.796 178 HA ASP 26 HA ASP 26 6.267 -12.979 -3.980 179 HB2 ASP 26 1HB ASP 26 6.577 -12.820 -6.494 180 HB3 ASP 26 2HB ASP 26 5.781 -11.249 -6.472 181 H MET 27 H MET 27 7.156 -10.739 -3.248 182 HA MET 27 HA MET 27 5.362 -9.386 -1.592 183 HB2 MET 27 1HB MET 27 7.829 -9.375 -1.303 184 HB3 MET 27 2HB MET 27 7.998 -8.372 -2.738 185 HG2 MET 27 1HG MET 27 6.481 -7.498 -0.270 186 HG3 MET 27 2HG MET 27 8.192 -7.167 -0.534 187 HE1 MET 27 3HE MET 27 7.352 -4.578 -0.002 188 HE2 MET 27 1HE MET 27 5.654 -5.058 -0.020 189 HE3 MET 27 2HE MET 27 6.203 -3.726 -1.036 190 H GLU 28 H GLU 28 6.624 -8.472 -4.788 191 HA GLU 28 HA GLU 28 5.281 -6.020 -5.129 192 HB2 GLU 28 1HB GLU 28 6.154 -8.010 -7.269 193 HB3 GLU 28 2HB GLU 28 5.782 -6.312 -7.545 194 HG2 GLU 28 1HG GLU 28 7.703 -5.727 -5.995 195 HG3 GLU 28 2HG GLU 28 8.107 -7.440 -5.956 196 H ASP 29 H ASP 29 4.354 -9.337 -5.903 197 HA ASP 29 HA ASP 29 1.942 -8.824 -7.309 198 HB2 ASP 29 1HB ASP 29 3.146 -10.993 -7.384 199 HB3 ASP 29 2HB ASP 29 2.789 -11.266 -5.683 200 H HIS 30 H HIS 30 2.637 -9.421 -3.875 201 HA HIS 30 HA HIS 30 -0.058 -9.386 -2.935 202 HB2 HIS 30 1HB HIS 30 2.638 -9.250 -1.542 203 HB3 HIS 30 2HB HIS 30 1.170 -8.923 -0.630 204 HD1 HIS 30 HD1 HIS 30 -0.293 -10.893 0.006 205 HD2 HIS 30 HD2 HIS 30 2.949 -11.997 -2.333 206 HE1 HIS 30 HE1 HIS 30 -0.166 -13.387 0.168 207 HE2 HIS 30 HE2 HIS 30 1.912 -14.000 -1.103 208 H LEU 31 H LEU 31 2.423 -6.901 -3.382 209 HA LEU 31 HA LEU 31 1.161 -4.879 -1.792 210 HB2 LEU 31 1HB LEU 31 3.617 -4.889 -2.271 211 HB3 LEU 31 2HB LEU 31 3.272 -4.528 -3.956 212 HG LEU 31 HG LEU 31 2.220 -2.346 -3.234 213 HD11 LEU 31 1HD1 LEU 31 2.598 -1.492 -0.959 214 HD12 LEU 31 2HD1 LEU 31 3.289 -3.043 -0.478 215 HD13 LEU 31 3HD1 LEU 31 1.589 -2.936 -0.939 216 HD21 LEU 31 3HD2 LEU 31 4.538 -2.365 -4.011 217 HD22 LEU 31 1HD2 LEU 31 5.110 -2.702 -2.375 218 HD23 LEU 31 2HD2 LEU 31 4.321 -1.165 -2.741 219 H LEU 32 H LEU 32 1.234 -5.605 -5.249 220 HA LEU 32 HA LEU 32 -0.394 -3.418 -6.071 221 HB2 LEU 32 1HB LEU 32 0.620 -5.937 -7.351 222 HB3 LEU 32 2HB LEU 32 -0.778 -5.184 -8.092 223 HG LEU 32 HG LEU 32 0.483 -3.100 -8.460 224 HD11 LEU 32 1HD1 LEU 32 1.990 -3.129 -6.538 225 HD12 LEU 32 2HD1 LEU 32 2.903 -2.940 -8.034 226 HD13 LEU 32 3HD1 LEU 32 2.864 -4.505 -7.216 227 HD21 LEU 32 3HD2 LEU 32 0.519 -4.812 -10.225 228 HD22 LEU 32 1HD2 LEU 32 1.959 -5.543 -9.513 229 HD23 LEU 32 2HD2 LEU 32 2.036 -3.919 -10.198 230 H THR 33 H THR 33 -1.136 -6.703 -4.938 231 HA THR 33 HA THR 33 -3.955 -6.577 -5.398 232 HB THR 33 HB THR 33 -2.460 -8.275 -3.349 233 HG1 THR 33 HG1 THR 33 -1.782 -9.290 -5.065 234 HG21 THR 33 3HG2 THR 33 -4.891 -8.195 -2.888 235 HG22 THR 33 1HG2 THR 33 -4.424 -9.785 -3.492 236 HG23 THR 33 2HG2 THR 33 -5.235 -8.639 -4.560 237 H VAL 34 H VAL 34 -1.867 -5.609 -2.693 238 HA VAL 34 HA VAL 34 -3.766 -4.846 -0.781 239 HB VAL 34 HB VAL 34 -0.987 -3.772 -1.445 240 HG11 VAL 34 1HG1 VAL 34 -0.982 -2.459 0.648 241 HG12 VAL 34 2HG1 VAL 34 -2.689 -2.823 0.873 242 HG13 VAL 34 3HG1 VAL 34 -2.174 -1.860 -0.505 243 HG21 VAL 34 3HG2 VAL 34 -2.001 -5.370 0.937 244 HG22 VAL 34 1HG2 VAL 34 -0.330 -4.854 0.678 245 HG23 VAL 34 2HG2 VAL 34 -1.080 -6.003 -0.427 246 H LEU 35 H LEU 35 -2.374 -3.064 -3.485 247 HA LEU 35 HA LEU 35 -3.785 -0.631 -3.139 248 HB2 LEU 35 1HB LEU 35 -2.296 -1.861 -5.471 249 HB3 LEU 35 2HB LEU 35 -3.002 -0.255 -5.554 250 HG LEU 35 HG LEU 35 -0.965 -1.001 -3.421 251 HD11 LEU 35 1HD1 LEU 35 0.096 -1.361 -5.599 252 HD12 LEU 35 2HD1 LEU 35 0.772 0.052 -4.792 253 HD13 LEU 35 3HD1 LEU 35 -0.379 0.262 -6.115 254 HD21 LEU 35 3HD2 LEU 35 -0.668 1.446 -3.233 255 HD22 LEU 35 1HD2 LEU 35 -2.342 0.987 -2.927 256 HD23 LEU 35 2HD2 LEU 35 -1.894 1.705 -4.475 257 H SER 36 H SER 36 -4.504 -3.587 -5.009 258 HA SER 36 HA SER 36 -6.558 -2.464 -6.605 259 HB2 SER 36 1HB SER 36 -7.100 -4.777 -7.241 260 HB3 SER 36 2HB SER 36 -5.363 -4.515 -7.279 261 HG SER 36 HG SER 36 -6.538 -5.570 -4.961 262 H VAL 37 H VAL 37 -6.556 -4.046 -3.481 263 HA VAL 37 HA VAL 37 -9.455 -4.139 -3.238 264 HB VAL 37 HB VAL 37 -7.295 -4.712 -1.145 265 HG11 VAL 37 1HG1 VAL 37 -9.468 -4.228 -0.089 266 HG12 VAL 37 2HG1 VAL 37 -9.059 -5.931 0.095 267 HG13 VAL 37 3HG1 VAL 37 -10.257 -5.437 -1.104 268 HG21 VAL 37 3HG2 VAL 37 -7.673 -7.106 -1.658 269 HG22 VAL 37 1HG2 VAL 37 -7.106 -6.229 -3.079 270 HG23 VAL 37 2HG2 VAL 37 -8.809 -6.664 -2.935 271 H ALA 38 H ALA 38 -6.821 -1.993 -2.354 272 HA ALA 38 HA ALA 38 -8.234 -0.414 -0.416 273 HB1 ALA 38 3HB ALA 38 -6.328 1.135 -0.570 274 HB2 ALA 38 1HB ALA 38 -5.739 0.278 -1.999 275 HB3 ALA 38 2HB ALA 38 -5.769 -0.534 -0.435 276 H SER 39 H SER 39 -7.656 -0.138 -3.907 277 HA SER 39 HA SER 39 -8.945 2.484 -4.072 278 HB2 SER 39 1HB SER 39 -8.153 2.460 -6.432 279 HB3 SER 39 2HB SER 39 -6.834 2.157 -5.303 280 HG SER 39 HG SER 39 -6.505 0.336 -6.279 281 H GLY 40 H GLY 40 -9.236 -0.620 -5.849 282 HA2 GLY 40 1HA GLY 40 -11.696 -1.437 -5.895 283 HA3 GLY 40 2HA GLY 40 -11.973 0.103 -6.703 284 H VAL 41 H VAL 41 -9.566 0.223 -8.221 285 HA VAL 41 HA VAL 41 -10.149 -1.418 -10.474 286 HB VAL 41 HB VAL 41 -7.994 -0.514 -11.428 287 HG11 VAL 41 1HG1 VAL 41 -8.720 1.817 -11.650 288 HG12 VAL 41 2HG1 VAL 41 -9.808 1.626 -10.273 289 HG13 VAL 41 3HG1 VAL 41 -10.094 0.716 -11.757 290 HG21 VAL 41 3HG2 VAL 41 -6.734 1.241 -10.209 291 HG22 VAL 41 1HG2 VAL 41 -6.651 -0.314 -9.381 292 HG23 VAL 41 2HG2 VAL 41 -7.721 0.952 -8.775 293 HA PRO 42 HA PRO 42 -7.792 -5.126 -9.336 294 HB2 PRO 42 1HB PRO 42 -7.364 -6.200 -11.840 295 HB3 PRO 42 2HB PRO 42 -8.937 -6.252 -11.031 296 HG2 PRO 42 1HG PRO 42 -7.949 -4.304 -13.112 297 HG3 PRO 42 2HG PRO 42 -9.498 -5.174 -13.042 298 HD2 PRO 42 1HD PRO 42 -9.289 -2.599 -12.245 299 HD3 PRO 42 2HD PRO 42 -10.374 -3.735 -11.413 300 H LYS 43 H LYS 43 -5.611 -6.024 -9.508 301 HA LYS 43 HA LYS 43 -3.631 -3.973 -9.631 302 HB2 LYS 43 1HB LYS 43 -2.005 -5.633 -8.981 303 HB3 LYS 43 2HB LYS 43 -3.454 -5.769 -7.999 304 HG2 LYS 43 1HG LYS 43 -4.107 -7.810 -9.080 305 HG3 LYS 43 2HG LYS 43 -2.888 -7.605 -10.344 306 HD2 LYS 43 1HD LYS 43 -1.079 -7.982 -8.778 307 HD3 LYS 43 2HD LYS 43 -2.177 -7.932 -7.399 308 HE2 LYS 43 1HE LYS 43 -2.224 -10.055 -9.564 309 HE3 LYS 43 2HE LYS 43 -1.435 -10.233 -7.995 310 HZ1 LYS 43 3HZ LYS 43 -3.604 -9.858 -6.944 311 HZ2 LYS 43 1HZ LYS 43 -3.586 -11.231 -7.932 312 HZ3 LYS 43 2HZ LYS 43 -4.334 -9.815 -8.472 313 H GLU 44 H GLU 44 -4.798 -6.176 -11.962 314 HA GLU 44 HA GLU 44 -2.760 -6.284 -13.859 315 HB2 GLU 44 1HB GLU 44 -4.870 -7.578 -13.957 316 HB3 GLU 44 2HB GLU 44 -5.777 -6.102 -14.258 317 HG2 GLU 44 1HG GLU 44 -4.729 -5.829 -16.438 318 HG3 GLU 44 2HG GLU 44 -3.662 -7.203 -16.146 319 H GLU 45 H GLU 45 -4.934 -3.638 -13.050 320 HA GLU 45 HA GLU 45 -4.120 -1.911 -15.253 321 HB2 GLU 45 1HB GLU 45 -5.820 -1.262 -12.797 322 HB3 GLU 45 2HB GLU 45 -5.672 -0.279 -14.252 323 HG2 GLU 45 1HG GLU 45 -6.934 -3.027 -14.060 324 HG3 GLU 45 2HG GLU 45 -7.787 -1.493 -14.232 325 H ILE 46 H ILE 46 -3.082 -2.587 -12.036 326 HA ILE 46 HA ILE 46 -1.957 0.053 -11.501 327 HB ILE 46 HB ILE 46 -1.900 -2.488 -9.804 328 HG12 ILE 46 1HG1 ILE 46 -3.790 -0.076 -9.608 329 HG13 ILE 46 2HG1 ILE 46 -4.224 -1.631 -10.308 330 HG21 ILE 46 1HG2 ILE 46 -1.356 -0.987 -7.890 331 HG22 ILE 46 2HG2 ILE 46 -1.283 0.390 -8.989 332 HG23 ILE 46 3HG2 ILE 46 -0.112 -0.916 -9.141 333 HD11 ILE 46 3HD1 ILE 46 -5.105 -1.417 -8.096 334 HD12 ILE 46 1HD1 ILE 46 -3.498 -1.106 -7.443 335 HD13 ILE 46 2HD1 ILE 46 -3.881 -2.687 -8.127 336 H SER 47 H SER 47 0.202 0.517 -11.331 337 HA SER 47 HA SER 47 2.313 -1.445 -11.806 338 HB2 SER 47 1HB SER 47 1.576 -0.771 -14.106 339 HB3 SER 47 2HB SER 47 1.835 0.924 -13.696 340 HG SER 47 HG SER 47 3.662 0.283 -14.720 341 H ARG 48 H ARG 48 4.523 -0.121 -11.821 342 HA ARG 48 HA ARG 48 4.690 1.591 -9.520 343 HB2 ARG 48 1HB ARG 48 6.728 1.043 -11.719 344 HB3 ARG 48 2HB ARG 48 7.077 1.916 -10.230 345 HG2 ARG 48 1HG ARG 48 6.493 -0.130 -8.931 346 HG3 ARG 48 2HG ARG 48 6.245 -0.989 -10.450 347 HD2 ARG 48 1HD ARG 48 8.586 -0.729 -11.045 348 HD3 ARG 48 2HD ARG 48 8.869 0.302 -9.637 349 HE ARG 48 HE ARG 48 8.167 -2.579 -9.494 350 HH11 ARG 48 1HH1 ARG 48 9.766 0.216 -8.108 351 HH12 ARG 48 2HH1 ARG 48 10.583 -0.707 -6.886 352 HH21 ARG 48 1HH2 ARG 48 9.210 -3.770 -7.866 353 HH22 ARG 48 2HH2 ARG 48 10.276 -2.967 -6.757 354 H ASP 49 H ASP 49 4.201 2.112 -12.911 355 HA ASP 49 HA ASP 49 4.849 4.862 -13.154 356 HB2 ASP 49 1HB ASP 49 2.721 3.317 -14.717 357 HB3 ASP 49 2HB ASP 49 3.484 4.828 -15.209 358 H SER 50 H SER 50 2.032 3.138 -11.956 359 HA SER 50 HA SER 50 0.042 5.103 -12.134 360 HB2 SER 50 1HB SER 50 0.274 2.862 -10.075 361 HB3 SER 50 2HB SER 50 -1.201 3.722 -10.507 362 HG SER 50 HG SER 50 -0.614 2.922 -12.736 363 H ARG 51 H ARG 51 0.453 7.104 -11.359 364 HA ARG 51 HA ARG 51 1.434 7.578 -8.670 365 HB2 ARG 51 1HB ARG 51 0.297 9.467 -10.783 366 HB3 ARG 51 2HB ARG 51 0.809 9.992 -9.181 367 HG2 ARG 51 1HG ARG 51 3.100 8.994 -9.726 368 HG3 ARG 51 2HG ARG 51 2.538 8.854 -11.391 369 HD2 ARG 51 1HD ARG 51 2.229 11.275 -11.530 370 HD3 ARG 51 2HD ARG 51 2.648 11.455 -9.821 371 HE ARG 51 HE ARG 51 4.528 10.483 -11.892 372 HH11 ARG 51 1HH1 ARG 51 3.962 12.424 -9.004 373 HH12 ARG 51 2HH1 ARG 51 5.631 12.868 -8.850 374 HH21 ARG 51 1HH2 ARG 51 6.697 11.069 -11.645 375 HH22 ARG 51 2HH2 ARG 51 7.182 12.093 -10.328 376 H MET 52 H MET 52 0.145 8.664 -7.065 377 HA MET 52 HA MET 52 -2.283 7.252 -6.588 378 HB2 MET 52 1HB MET 52 -1.011 9.524 -4.995 379 HB3 MET 52 2HB MET 52 -2.343 8.514 -4.440 380 HG2 MET 52 1HG MET 52 0.518 7.674 -4.950 381 HG3 MET 52 2HG MET 52 -0.342 7.692 -3.410 382 HE1 MET 52 3HE MET 52 0.399 5.172 -2.847 383 HE2 MET 52 1HE MET 52 1.349 5.166 -4.333 384 HE3 MET 52 2HE MET 52 0.236 3.842 -3.992 385 H GLU 53 H GLU 53 -3.689 7.835 -8.211 386 HA GLU 53 HA GLU 53 -4.736 10.602 -8.348 387 HB2 GLU 53 1HB GLU 53 -5.820 9.860 -10.448 388 HB3 GLU 53 2HB GLU 53 -4.080 9.600 -10.497 389 HG2 GLU 53 1HG GLU 53 -4.374 7.204 -10.098 390 HG3 GLU 53 2HG GLU 53 -6.110 7.418 -9.882 391 H ASP 54 H ASP 54 -5.386 7.510 -7.123 392 HA ASP 54 HA ASP 54 -7.981 8.200 -6.017 393 HB2 ASP 54 1HB ASP 54 -8.700 7.294 -8.194 394 HB3 ASP 54 2HB ASP 54 -7.640 5.897 -8.020 395 H LEU 55 H LEU 55 -5.674 5.638 -6.714 396 HA LEU 55 HA LEU 55 -5.761 4.106 -4.381 397 HB2 LEU 55 1HB LEU 55 -3.180 4.619 -5.896 398 HB3 LEU 55 2HB LEU 55 -3.660 3.179 -5.021 399 HG LEU 55 HG LEU 55 -5.568 3.136 -6.985 400 HD11 LEU 55 1HD1 LEU 55 -4.791 5.162 -8.123 401 HD12 LEU 55 2HD1 LEU 55 -4.605 3.752 -9.161 402 HD13 LEU 55 3HD1 LEU 55 -3.195 4.444 -8.355 403 HD21 LEU 55 3HD2 LEU 55 -4.066 1.282 -6.403 404 HD22 LEU 55 1HD2 LEU 55 -2.761 2.033 -7.328 405 HD23 LEU 55 2HD2 LEU 55 -4.220 1.466 -8.147 406 H ALA 56 H ALA 56 -5.200 4.681 -2.320 407 HA ALA 56 HA ALA 56 -4.479 5.853 -0.516 408 HB1 ALA 56 3HB ALA 56 -1.974 6.239 -2.180 409 HB2 ALA 56 1HB ALA 56 -2.369 4.789 -1.261 410 HB3 ALA 56 2HB ALA 56 -2.088 6.314 -0.420 411 H PHE 57 H PHE 57 -5.888 7.504 -2.645 412 HA PHE 57 HA PHE 57 -4.658 10.159 -2.137 413 HB2 PHE 57 1HB PHE 57 -4.581 9.214 -4.532 414 HB3 PHE 57 2HB PHE 57 -6.328 9.419 -4.565 415 HD1 PHE 57 HD1 PHE 57 -3.265 11.425 -3.691 416 HD2 PHE 57 HD2 PHE 57 -7.106 11.409 -5.583 417 HE1 PHE 57 HE1 PHE 57 -2.920 13.744 -4.422 418 HE2 PHE 57 HE2 PHE 57 -6.749 13.728 -6.311 419 HZ PHE 57 HZ PHE 57 -4.658 14.897 -5.734 420 H ASP 58 H ASP 58 -6.859 8.530 -0.773 421 HA ASP 58 HA ASP 58 -8.429 10.895 -0.105 422 HB2 ASP 58 1HB ASP 58 -9.886 9.742 -1.764 423 HB3 ASP 58 2HB ASP 58 -9.752 8.238 -0.862 424 H SER 59 H SER 59 -9.216 10.796 2.025 425 HA SER 59 HA SER 59 -7.595 9.744 3.969 426 HB2 SER 59 1HB SER 59 -9.499 10.321 5.550 427 HB3 SER 59 2HB SER 59 -9.069 11.606 4.417 428 HG SER 59 HG SER 59 -10.861 10.322 3.114 429 H LEU 60 H LEU 60 -10.624 8.334 2.778 430 HA LEU 60 HA LEU 60 -10.739 6.125 4.586 431 HB2 LEU 60 1HB LEU 60 -12.727 7.035 3.426 432 HB3 LEU 60 2HB LEU 60 -12.060 6.565 1.871 433 HG LEU 60 HG LEU 60 -12.249 4.154 2.553 434 HD11 LEU 60 1HD1 LEU 60 -13.588 3.522 4.528 435 HD12 LEU 60 2HD1 LEU 60 -13.666 5.214 5.024 436 HD13 LEU 60 3HD1 LEU 60 -12.115 4.373 4.989 437 HD21 LEU 60 3HD2 LEU 60 -14.696 3.991 2.308 438 HD22 LEU 60 1HD2 LEU 60 -14.025 5.197 1.209 439 HD23 LEU 60 2HD2 LEU 60 -14.859 5.709 2.678 440 H VAL 61 H VAL 61 -9.379 6.610 1.353 441 HA VAL 61 HA VAL 61 -8.830 3.824 0.829 442 HB VAL 61 HB VAL 61 -7.721 6.268 -0.660 443 HG11 VAL 61 1HG1 VAL 61 -8.060 3.374 -1.574 444 HG12 VAL 61 2HG1 VAL 61 -6.534 4.188 -1.226 445 HG13 VAL 61 3HG1 VAL 61 -7.519 4.714 -2.590 446 HG21 VAL 61 3HG2 VAL 61 -10.192 6.361 -0.573 447 HG22 VAL 61 1HG2 VAL 61 -10.300 4.716 -1.204 448 HG23 VAL 61 2HG2 VAL 61 -9.643 6.009 -2.210 449 H VAL 62 H VAL 62 -7.052 6.492 2.229 450 HA VAL 62 HA VAL 62 -4.417 5.304 2.253 451 HB VAL 62 HB VAL 62 -5.644 7.603 3.883 452 HG11 VAL 62 1HG1 VAL 62 -3.315 8.189 4.561 453 HG12 VAL 62 2HG1 VAL 62 -2.744 6.688 3.831 454 HG13 VAL 62 3HG1 VAL 62 -3.838 6.634 5.208 455 HG21 VAL 62 3HG2 VAL 62 -4.269 9.071 2.436 456 HG22 VAL 62 1HG2 VAL 62 -5.392 8.103 1.484 457 HG23 VAL 62 2HG2 VAL 62 -3.685 7.663 1.544 458 H SER 63 H SER 63 -7.112 5.623 4.578 459 HA SER 63 HA SER 63 -6.005 4.226 6.757 460 HB2 SER 63 1HB SER 63 -8.060 5.583 6.961 461 HB3 SER 63 2HB SER 63 -8.921 4.478 5.892 462 HG SER 63 HG SER 63 -7.715 3.321 8.114 463 H GLU 64 H GLU 64 -7.870 3.158 3.957 464 HA GLU 64 HA GLU 64 -8.134 0.423 4.616 465 HB2 GLU 64 1HB GLU 64 -9.490 1.734 2.880 466 HB3 GLU 64 2HB GLU 64 -8.104 1.612 1.806 467 HG2 GLU 64 1HG GLU 64 -9.726 -0.084 1.216 468 HG3 GLU 64 2HG GLU 64 -8.295 -0.874 1.879 469 H LEU 65 H LEU 65 -5.714 2.270 2.828 470 HA LEU 65 HA LEU 65 -4.171 0.139 1.792 471 HB2 LEU 65 1HB LEU 65 -4.005 2.508 0.980 472 HB3 LEU 65 2HB LEU 65 -3.258 2.963 2.503 473 HG LEU 65 HG LEU 65 -1.335 1.391 1.957 474 HD11 LEU 65 1HD1 LEU 65 -1.044 0.592 -0.335 475 HD12 LEU 65 2HD1 LEU 65 -2.629 1.227 -0.781 476 HD13 LEU 65 3HD1 LEU 65 -2.500 -0.089 0.385 477 HD21 LEU 65 3HD2 LEU 65 -1.152 3.823 1.542 478 HD22 LEU 65 1HD2 LEU 65 -1.786 3.588 -0.086 479 HD23 LEU 65 2HD2 LEU 65 -0.234 2.886 0.367 480 H SER 66 H SER 66 -3.913 2.040 4.796 481 HA SER 66 HA SER 66 -1.492 0.923 5.765 482 HB2 SER 66 1HB SER 66 -2.429 3.095 6.553 483 HB3 SER 66 2HB SER 66 -3.735 2.230 7.360 484 HG SER 66 HG SER 66 -2.196 2.577 8.891 485 H LEU 67 H LEU 67 -4.901 0.168 6.432 486 HA LEU 67 HA LEU 67 -4.473 -1.908 8.331 487 HB2 LEU 67 1HB LEU 67 -6.864 -1.293 6.549 488 HB3 LEU 67 2HB LEU 67 -6.884 -2.491 7.836 489 HG LEU 67 HG LEU 67 -6.377 0.481 8.271 490 HD11 LEU 67 1HD1 LEU 67 -8.638 0.587 9.236 491 HD12 LEU 67 2HD1 LEU 67 -8.916 -1.096 8.779 492 HD13 LEU 67 3HD1 LEU 67 -8.679 0.131 7.533 493 HD21 LEU 67 3HD2 LEU 67 -6.665 -0.021 10.674 494 HD22 LEU 67 1HD2 LEU 67 -5.298 -0.905 9.996 495 HD23 LEU 67 2HD2 LEU 67 -6.823 -1.740 10.305 496 H LYS 68 H LYS 68 -4.594 -1.828 4.832 497 HA LYS 68 HA LYS 68 -4.873 -4.652 4.391 498 HB2 LYS 68 1HB LYS 68 -5.288 -2.542 2.770 499 HB3 LYS 68 2HB LYS 68 -3.617 -2.819 2.330 500 HG2 LYS 68 1HG LYS 68 -5.035 -3.938 0.722 501 HG3 LYS 68 2HG LYS 68 -4.221 -5.170 1.690 502 HD2 LYS 68 1HD LYS 68 -6.620 -5.709 1.329 503 HD3 LYS 68 2HD LYS 68 -6.238 -5.504 3.040 504 HE2 LYS 68 1HE LYS 68 -7.101 -3.117 2.848 505 HE3 LYS 68 2HE LYS 68 -7.668 -3.528 1.229 506 HZ1 LYS 68 3HZ LYS 68 -9.078 -5.232 2.198 507 HZ2 LYS 68 1HZ LYS 68 -9.411 -3.727 2.902 508 HZ3 LYS 68 2HZ LYS 68 -8.494 -4.870 3.741 509 H LEU 69 H LEU 69 -2.184 -2.355 4.306 510 HA LEU 69 HA LEU 69 -0.037 -4.135 3.869 511 HB2 LEU 69 1HB LEU 69 -0.131 -1.442 5.289 512 HB3 LEU 69 2HB LEU 69 1.360 -2.291 4.929 513 HG LEU 69 HG LEU 69 -0.584 -1.279 2.819 514 HD11 LEU 69 1HD1 LEU 69 2.062 -0.073 3.699 515 HD12 LEU 69 2HD1 LEU 69 0.460 0.612 3.984 516 HD13 LEU 69 3HD1 LEU 69 1.077 0.474 2.338 517 HD21 LEU 69 3HD2 LEU 69 1.216 -1.768 1.218 518 HD22 LEU 69 1HD2 LEU 69 0.689 -3.228 2.051 519 HD23 LEU 69 2HD2 LEU 69 2.202 -2.447 2.513 520 H ARG 70 H ARG 70 -1.815 -3.204 6.733 521 HA ARG 70 HA ARG 70 -0.017 -4.062 8.746 522 HB2 ARG 70 1HB ARG 70 -1.924 -2.446 9.033 523 HB3 ARG 70 2HB ARG 70 -3.047 -3.792 8.910 524 HG2 ARG 70 1HG ARG 70 -2.172 -4.754 10.993 525 HG3 ARG 70 2HG ARG 70 -0.950 -3.483 11.090 526 HD2 ARG 70 1HD ARG 70 -2.833 -1.795 11.199 527 HD3 ARG 70 2HD ARG 70 -3.961 -3.151 11.321 528 HE ARG 70 HE ARG 70 -2.544 -3.781 13.361 529 HH11 ARG 70 1HH1 ARG 70 -3.050 -0.438 12.402 530 HH12 ARG 70 2HH1 ARG 70 -3.008 0.157 14.029 531 HH21 ARG 70 1HH2 ARG 70 -2.462 -2.977 15.479 532 HH22 ARG 70 2HH2 ARG 70 -2.689 -1.281 15.770 533 H LYS 71 H LYS 71 -2.437 -5.763 6.868 534 HA LYS 71 HA LYS 71 -2.276 -8.177 8.544 535 HB2 LYS 71 1HB LYS 71 -3.975 -7.625 6.067 536 HB3 LYS 71 2HB LYS 71 -4.088 -9.052 7.101 537 HG2 LYS 71 1HG LYS 71 -4.689 -7.554 9.021 538 HG3 LYS 71 2HG LYS 71 -4.703 -6.192 7.900 539 HD2 LYS 71 1HD LYS 71 -6.502 -7.383 6.584 540 HD3 LYS 71 2HD LYS 71 -6.547 -8.607 7.857 541 HE2 LYS 71 1HE LYS 71 -7.149 -5.650 8.206 542 HE3 LYS 71 2HE LYS 71 -8.338 -6.950 8.160 543 HZ1 LYS 71 3HZ LYS 71 -7.838 -6.233 10.410 544 HZ2 LYS 71 1HZ LYS 71 -6.215 -6.658 10.212 545 HZ3 LYS 71 2HZ LYS 71 -7.409 -7.850 10.176 546 H GLU 72 H GLU 72 -1.681 -7.181 5.175 547 HA GLU 72 HA GLU 72 -0.727 -9.659 4.213 548 HB2 GLU 72 1HB GLU 72 -0.250 -6.829 3.190 549 HB3 GLU 72 2HB GLU 72 0.186 -8.278 2.293 550 HG2 GLU 72 1HG GLU 72 -2.633 -7.502 3.095 551 HG3 GLU 72 2HG GLU 72 -1.918 -7.245 1.507 552 H PHE 73 H PHE 73 1.025 -6.724 5.232 553 HA PHE 73 HA PHE 73 3.599 -8.203 5.157 554 HB2 PHE 73 1HB PHE 73 3.078 -5.213 4.897 555 HB3 PHE 73 2HB PHE 73 4.662 -5.984 4.831 556 HD1 PHE 73 HD1 PHE 73 5.025 -7.773 2.967 557 HD2 PHE 73 HD2 PHE 73 1.849 -4.909 2.870 558 HE1 PHE 73 HE1 PHE 73 4.790 -8.110 0.546 559 HE2 PHE 73 HE2 PHE 73 1.630 -5.247 0.440 560 HZ PHE 73 HZ PHE 73 3.100 -6.848 -0.724 561 H GLY 74 H GLY 74 1.419 -6.503 7.271 562 HA2 GLY 74 1HA GLY 74 1.534 -6.232 9.592 563 HA3 GLY 74 2HA GLY 74 3.218 -6.740 9.568 564 H VAL 75 H VAL 75 2.432 -4.317 7.267 565 HA VAL 75 HA VAL 75 3.960 -2.300 8.748 566 HB VAL 75 HB VAL 75 3.021 -2.339 5.834 567 HG11 VAL 75 1HG1 VAL 75 4.847 -0.318 7.206 568 HG12 VAL 75 2HG1 VAL 75 3.216 -0.013 6.606 569 HG13 VAL 75 3HG1 VAL 75 4.511 -0.386 5.472 570 HG21 VAL 75 3HG2 VAL 75 5.399 -2.742 5.285 571 HG22 VAL 75 1HG2 VAL 75 4.761 -4.018 6.321 572 HG23 VAL 75 2HG2 VAL 75 5.805 -2.771 7.003 573 H THR 76 H THR 76 2.885 -0.921 9.978 574 HA THR 76 HA THR 76 0.519 0.504 9.040 575 HB THR 76 HB THR 76 -0.384 -1.463 10.297 576 HG1 THR 76 HG1 THR 76 -1.569 0.466 10.323 577 HG21 THR 76 3HG2 THR 76 -0.109 -1.626 12.745 578 HG22 THR 76 1HG2 THR 76 1.049 -0.292 12.716 579 HG23 THR 76 2HG2 THR 76 1.441 -1.819 11.924 580 H GLY 77 H GLY 77 -0.024 2.288 10.684 581 HA2 GLY 77 1HA GLY 77 0.588 3.974 12.142 582 HA3 GLY 77 2HA GLY 77 2.146 3.206 12.395 583 H VAL 78 H VAL 78 1.750 3.286 9.150 584 HA VAL 78 HA VAL 78 3.367 5.730 8.784 585 HB VAL 78 HB VAL 78 3.934 4.747 6.549 586 HG11 VAL 78 1HG1 VAL 78 4.455 2.833 8.863 587 HG12 VAL 78 2HG1 VAL 78 5.411 4.257 8.453 588 HG13 VAL 78 3HG1 VAL 78 5.360 2.886 7.346 589 HG21 VAL 78 3HG2 VAL 78 2.265 2.341 7.426 590 HG22 VAL 78 1HG2 VAL 78 3.289 2.414 5.987 591 HG23 VAL 78 2HG2 VAL 78 1.872 3.453 6.113 592 H ASP 79 H ASP 79 0.350 5.492 9.122 593 HA ASP 79 HA ASP 79 -1.163 5.669 6.839 594 HB2 ASP 79 1HB ASP 79 -1.625 7.120 9.475 595 HB3 ASP 79 2HB ASP 79 -2.849 6.893 8.237 596 H ASP 80 H ASP 80 0.150 8.417 8.683 597 HA ASP 80 HA ASP 80 -0.720 10.518 7.026 598 HB2 ASP 80 1HB ASP 80 0.060 10.898 9.326 599 HB3 ASP 80 2HB ASP 80 1.687 10.364 8.904 600 H GLU 81 H GLU 81 2.202 8.569 6.984 601 HA GLU 81 HA GLU 81 3.636 10.063 5.016 602 HB2 GLU 81 1HB GLU 81 4.659 8.680 6.795 603 HB3 GLU 81 2HB GLU 81 3.995 7.230 6.056 604 HG2 GLU 81 1HG GLU 81 5.453 7.454 4.142 605 HG3 GLU 81 2HG GLU 81 5.977 9.058 4.667 606 H LEU 82 H LEU 82 1.235 7.524 4.888 607 HA LEU 82 HA LEU 82 1.599 6.728 2.157 608 HB2 LEU 82 1HB LEU 82 -0.915 6.582 3.865 609 HB3 LEU 82 2HB LEU 82 -0.669 5.749 2.339 610 HG LEU 82 HG LEU 82 0.886 5.206 4.895 611 HD11 LEU 82 1HD1 LEU 82 -1.296 3.549 3.603 612 HD12 LEU 82 2HD1 LEU 82 -1.438 4.468 5.101 613 HD13 LEU 82 3HD1 LEU 82 -0.345 3.090 5.017 614 HD21 LEU 82 3HD2 LEU 82 2.258 4.743 2.926 615 HD22 LEU 82 1HD2 LEU 82 0.970 3.746 2.241 616 HD23 LEU 82 2HD2 LEU 82 1.792 3.241 3.720 617 H ASP 83 H ASP 83 -0.335 9.231 3.799 618 HA ASP 83 HA ASP 83 -1.633 10.341 1.541 619 HB2 ASP 83 1HB ASP 83 -0.611 11.751 4.049 620 HB3 ASP 83 2HB ASP 83 -1.652 12.512 2.851 621 H LEU 84 H LEU 84 1.600 10.895 2.876 622 HA LEU 84 HA LEU 84 2.385 12.940 1.038 623 HB2 LEU 84 1HB LEU 84 3.847 11.241 3.056 624 HB3 LEU 84 2HB LEU 84 4.802 12.092 1.860 625 HG LEU 84 HG LEU 84 4.731 13.387 3.931 626 HD11 LEU 84 1HD1 LEU 84 3.079 14.729 1.766 627 HD12 LEU 84 2HD1 LEU 84 4.842 14.638 1.830 628 HD13 LEU 84 3HD1 LEU 84 3.966 15.545 3.058 629 HD21 LEU 84 3HD2 LEU 84 1.711 13.447 3.635 630 HD22 LEU 84 1HD2 LEU 84 2.652 14.332 4.841 631 HD23 LEU 84 2HD2 LEU 84 2.621 12.570 4.866 632 H LEU 85 H LEU 85 2.349 9.449 0.815 633 HA LEU 85 HA LEU 85 4.131 9.173 -1.402 634 HB2 LEU 85 1HB LEU 85 1.812 7.421 -0.509 635 HB3 LEU 85 2HB LEU 85 2.899 6.996 -1.823 636 HG LEU 85 HG LEU 85 3.716 7.346 1.086 637 HD11 LEU 85 1HD1 LEU 85 3.390 4.855 -0.593 638 HD12 LEU 85 2HD1 LEU 85 2.362 5.360 0.752 639 HD13 LEU 85 3HD1 LEU 85 4.039 4.909 1.048 640 HD21 LEU 85 3HD2 LEU 85 5.388 6.447 -1.296 641 HD22 LEU 85 1HD2 LEU 85 5.906 6.437 0.392 642 HD23 LEU 85 2HD2 LEU 85 5.572 7.966 -0.415 643 H GLU 86 H GLU 86 3.838 9.800 -3.441 644 HA GLU 86 HA GLU 86 1.093 10.164 -4.529 645 HB2 GLU 86 1HB GLU 86 2.546 12.271 -4.215 646 HB3 GLU 86 2HB GLU 86 3.597 11.630 -5.474 647 HG2 GLU 86 1HG GLU 86 1.595 11.597 -7.018 648 HG3 GLU 86 2HG GLU 86 0.677 12.415 -5.758 649 H THR 87 H THR 87 3.473 7.987 -4.483 650 HA THR 87 HA THR 87 3.067 7.018 -7.236 651 HB THR 87 HB THR 87 5.614 6.456 -7.305 652 HG1 THR 87 HG1 THR 87 6.764 8.195 -6.036 653 HG21 THR 87 3HG2 THR 87 4.664 8.182 -8.802 654 HG22 THR 87 1HG2 THR 87 6.267 8.657 -8.226 655 HG23 THR 87 2HG2 THR 87 4.822 9.391 -7.530 656 H VAL 88 H VAL 88 3.037 4.828 -7.397 657 HA VAL 88 HA VAL 88 2.946 3.115 -5.125 658 HB VAL 88 HB VAL 88 3.164 2.510 -8.118 659 HG11 VAL 88 1HG1 VAL 88 2.466 0.190 -7.635 660 HG12 VAL 88 2HG1 VAL 88 2.564 0.511 -5.900 661 HG13 VAL 88 3HG1 VAL 88 4.021 0.562 -6.890 662 HG21 VAL 88 3HG2 VAL 88 1.083 3.651 -7.436 663 HG22 VAL 88 1HG2 VAL 88 0.755 2.378 -6.257 664 HG23 VAL 88 2HG2 VAL 88 0.761 2.008 -7.983 665 H ASP 89 H ASP 89 5.522 4.042 -7.343 666 HA ASP 89 HA ASP 89 7.393 2.001 -6.778 667 HB2 ASP 89 1HB ASP 89 7.510 3.520 -8.744 668 HB3 ASP 89 2HB ASP 89 7.915 4.860 -7.676 669 H GLU 90 H GLU 90 6.948 5.236 -5.302 670 HA GLU 90 HA GLU 90 9.016 4.912 -3.346 671 HB2 GLU 90 1HB GLU 90 6.840 6.932 -3.812 672 HB3 GLU 90 2HB GLU 90 7.532 6.862 -2.201 673 HG2 GLU 90 1HG GLU 90 8.590 8.581 -3.619 674 HG3 GLU 90 2HG GLU 90 9.739 7.381 -3.042 675 H LEU 91 H LEU 91 5.581 4.047 -3.419 676 HA LEU 91 HA LEU 91 5.305 3.264 -0.707 677 HB2 LEU 91 1HB LEU 91 3.352 3.440 -2.149 678 HB3 LEU 91 2HB LEU 91 3.968 2.188 -3.211 679 HG LEU 91 HG LEU 91 3.666 0.500 -1.390 680 HD11 LEU 91 1HD1 LEU 91 2.370 1.023 0.632 681 HD12 LEU 91 2HD1 LEU 91 2.354 2.732 0.198 682 HD13 LEU 91 3HD1 LEU 91 3.878 1.938 0.593 683 HD21 LEU 91 3HD2 LEU 91 1.142 2.045 -2.055 684 HD22 LEU 91 1HD2 LEU 91 1.223 0.367 -1.511 685 HD23 LEU 91 2HD2 LEU 91 1.906 0.819 -3.071 686 H PHE 92 H PHE 92 6.629 1.532 -3.532 687 HA PHE 92 HA PHE 92 7.050 -1.013 -2.434 688 HB2 PHE 92 1HB PHE 92 8.400 0.524 -4.654 689 HB3 PHE 92 2HB PHE 92 9.173 -0.951 -4.100 690 HD1 PHE 92 HD1 PHE 92 7.916 -3.129 -4.210 691 HD2 PHE 92 HD2 PHE 92 6.480 0.408 -6.142 692 HE1 PHE 92 HE1 PHE 92 6.462 -4.483 -5.644 693 HE2 PHE 92 HE2 PHE 92 5.049 -0.971 -7.570 694 HZ PHE 92 HZ PHE 92 5.028 -3.408 -7.324 695 H GLN 93 H GLN 93 9.423 1.700 -2.646 696 HA GLN 93 HA GLN 93 11.424 0.363 -1.135 697 HB2 GLN 93 1HB GLN 93 12.649 2.455 -1.053 698 HB3 GLN 93 2HB GLN 93 11.970 2.234 -2.662 699 HG2 GLN 93 1HG GLN 93 10.300 3.910 -2.300 700 HG3 GLN 93 2HG GLN 93 10.636 3.970 -0.567 701 HE21 GLN 93 2HE2 GLN 93 12.498 5.067 0.160 702 HE22 GLN 93 1HE2 GLN 93 13.364 6.173 -0.847 703 H LEU 94 H LEU 94 8.703 2.359 -0.163 704 HA LEU 94 HA LEU 94 9.540 2.966 2.470 705 HB2 LEU 94 1HB LEU 94 7.711 4.209 1.400 706 HB3 LEU 94 2HB LEU 94 6.717 2.759 1.345 707 HG LEU 94 HG LEU 94 6.585 2.720 3.820 708 HD11 LEU 94 1HD1 LEU 94 7.467 4.589 5.184 709 HD12 LEU 94 2HD1 LEU 94 8.276 5.242 3.759 710 HD13 LEU 94 3HD1 LEU 94 8.752 3.670 4.403 711 HD21 LEU 94 3HD2 LEU 94 5.822 5.435 2.687 712 HD22 LEU 94 1HD2 LEU 94 5.193 4.721 4.173 713 HD23 LEU 94 2HD2 LEU 94 4.845 3.967 2.620 714 H VAL 95 H VAL 95 7.285 0.458 1.287 715 HA VAL 95 HA VAL 95 6.795 -0.756 3.769 716 HB VAL 95 HB VAL 95 6.568 -1.970 0.973 717 HG11 VAL 95 1HG1 VAL 95 6.689 -3.786 2.640 718 HG12 VAL 95 2HG1 VAL 95 5.056 -3.673 1.989 719 HG13 VAL 95 3HG1 VAL 95 5.411 -3.030 3.593 720 HG21 VAL 95 3HG2 VAL 95 5.133 0.012 1.325 721 HG22 VAL 95 1HG2 VAL 95 4.441 -0.727 2.772 722 HG23 VAL 95 2HG2 VAL 95 4.156 -1.448 1.186 723 H GLU 96 H GLU 96 9.160 -1.605 1.211 724 HA GLU 96 HA GLU 96 10.160 -3.943 2.456 725 HB2 GLU 96 1HB GLU 96 11.238 -2.176 0.248 726 HB3 GLU 96 2HB GLU 96 12.127 -3.590 0.799 727 HG2 GLU 96 1HG GLU 96 9.312 -3.629 -0.338 728 HG3 GLU 96 2HG GLU 96 10.781 -4.048 -1.223 729 H LYS 97 H LYS 97 11.438 -0.598 2.471 730 HA LYS 97 HA LYS 97 13.810 -1.174 3.937 731 HB2 LYS 97 1HB LYS 97 13.585 0.898 2.632 732 HB3 LYS 97 2HB LYS 97 12.275 1.444 3.674 733 HG2 LYS 97 1HG LYS 97 13.888 1.495 5.600 734 HG3 LYS 97 2HG LYS 97 15.187 1.074 4.483 735 HD2 LYS 97 1HD LYS 97 14.825 3.160 3.237 736 HD3 LYS 97 2HD LYS 97 13.452 3.563 4.272 737 HE2 LYS 97 1HE LYS 97 15.032 3.602 6.237 738 HE3 LYS 97 2HE LYS 97 16.368 3.384 5.102 739 HZ1 LYS 97 3HZ LYS 97 16.087 5.691 5.638 740 HZ2 LYS 97 1HZ LYS 97 14.462 5.658 5.159 741 HZ3 LYS 97 2HZ LYS 97 15.692 5.446 4.014 742 H HIS 98 H HIS 98 10.605 -0.005 4.907 743 HA HIS 98 HA HIS 98 11.203 0.249 7.697 744 HB2 HIS 98 1HB HIS 98 9.571 1.697 6.553 745 HB3 HIS 98 2HB HIS 98 8.561 0.303 6.189 746 HD1 HIS 98 HD1 HIS 98 10.052 1.727 9.410 747 HD2 HIS 98 HD2 HIS 98 6.466 0.312 7.885 748 HE1 HIS 98 HE1 HIS 98 8.420 1.867 11.301 749 HE2 HIS 98 HE2 HIS 98 6.236 1.082 10.337 750 H ARG 99 H ARG 99 10.231 -2.403 5.707 751 HA ARG 99 HA ARG 99 9.059 -4.011 7.818 752 HB2 ARG 99 1HB ARG 99 8.569 -4.194 5.280 753 HB3 ARG 99 2HB ARG 99 10.110 -5.025 5.143 754 HG2 ARG 99 1HG ARG 99 8.407 -6.692 5.217 755 HG3 ARG 99 2HG ARG 99 9.235 -6.743 6.773 756 HD2 ARG 99 1HD ARG 99 6.669 -5.183 6.374 757 HD3 ARG 99 2HD ARG 99 6.658 -6.895 6.775 758 HE ARG 99 HE ARG 99 7.739 -4.732 8.501 759 HH11 ARG 99 1HH1 ARG 99 6.366 -7.937 8.224 760 HH12 ARG 99 2HH1 ARG 99 6.209 -8.136 9.938 761 HH21 ARG 99 1HH2 ARG 99 7.545 -5.023 10.737 762 HH22 ARG 99 2HH2 ARG 99 6.881 -6.507 11.354 763 H ALA 100 H ALA 100 12.111 -3.907 6.007 764 HA ALA 100 HA ALA 100 13.437 -6.021 7.404 765 HB1 ALA 100 3HB ALA 100 15.426 -5.277 6.148 766 HB2 ALA 100 1HB ALA 100 14.569 -3.814 5.652 767 HB3 ALA 100 2HB ALA 100 14.016 -5.393 5.096 768 H ALA 101 H ALA 101 13.216 -2.563 7.795 769 HA ALA 101 HA ALA 101 14.897 -2.588 10.238 770 HB1 ALA 101 3HB ALA 101 14.255 -0.274 8.371 771 HB2 ALA 101 1HB ALA 101 15.798 -1.124 8.461 772 HB3 ALA 101 2HB ALA 101 15.233 -0.168 9.834 773 H GLY 102 H GLY 102 13.844 -0.070 11.209 774 HA2 GLY 102 1HA GLY 102 11.172 0.411 11.286 775 HA3 GLY 102 2HA GLY 102 11.349 -0.931 12.413 776 H SER 103 H SER 103 13.398 -0.570 13.884 777 HA SER 103 HA SER 103 13.716 2.197 14.796 778 HB2 SER 103 1HB SER 103 12.769 -0.050 16.650 779 HB3 SER 103 2HB SER 103 13.228 1.572 17.162 780 HG SER 103 HG SER 103 11.344 1.618 15.195 Start of MODEL 9 1 H1 MET 1 1H MET 1 -13.060 -10.763 24.379 2 H2 MET 1 2H MET 1 -11.730 -10.238 23.488 3 H3 MET 1 3H MET 1 -11.645 -10.291 25.171 4 HA MET 1 HA MET 1 -11.857 -12.673 25.149 5 HB2 MET 1 1HB MET 1 -11.690 -12.404 22.111 6 HB3 MET 1 2HB MET 1 -11.745 -13.913 23.013 7 HG2 MET 1 1HG MET 1 -13.915 -13.536 22.069 8 HG3 MET 1 2HG MET 1 -14.041 -13.264 23.809 9 HE1 MET 1 3HE MET 1 -16.282 -12.315 21.811 10 HE2 MET 1 1HE MET 1 -16.587 -10.651 22.306 11 HE3 MET 1 2HE MET 1 -16.370 -11.904 23.526 12 H GLY 2 H GLY 2 -9.908 -12.767 26.144 13 HA2 GLY 2 1HA GLY 2 -7.642 -12.899 26.480 14 HA3 GLY 2 2HA GLY 2 -7.431 -12.938 24.735 15 H SER 3 H SER 3 -5.502 -11.596 25.319 16 HA SER 3 HA SER 3 -6.050 -8.851 24.664 17 HB2 SER 3 1HB SER 3 -6.292 -8.779 27.150 18 HB3 SER 3 2HB SER 3 -4.652 -9.399 27.320 19 HG SER 3 HG SER 3 -5.520 -6.902 26.328 20 H SER 4 H SER 4 -4.714 -8.729 22.978 21 HA SER 4 HA SER 4 -2.191 -10.135 22.805 22 HB2 SER 4 1HB SER 4 -3.661 -9.921 20.822 23 HB3 SER 4 2HB SER 4 -3.500 -8.165 20.879 24 HG SER 4 HG SER 4 -1.889 -9.958 19.726 25 H HIS 5 H HIS 5 -0.341 -9.344 23.583 26 HA HIS 5 HA HIS 5 0.233 -6.422 23.526 27 HB2 HIS 5 1HB HIS 5 1.124 -8.387 25.692 28 HB3 HIS 5 2HB HIS 5 1.544 -6.678 25.621 29 HD1 HIS 5 HD1 HIS 5 -0.573 -4.990 25.895 30 HD2 HIS 5 HD2 HIS 5 -1.165 -8.923 27.084 31 HE1 HIS 5 HE1 HIS 5 -2.594 -4.953 27.376 32 HE2 HIS 5 HE2 HIS 5 -3.048 -7.371 27.892 33 H ASP 6 H ASP 6 0.815 -8.999 21.895 34 HA ASP 6 HA ASP 6 3.655 -9.500 22.246 35 HB2 ASP 6 1HB ASP 6 1.742 -10.663 20.163 36 HB3 ASP 6 2HB ASP 6 3.323 -11.299 20.610 37 H HIS 7 H HIS 7 5.246 -8.680 21.023 38 HA HIS 7 HA HIS 7 4.977 -7.980 18.255 39 HB2 HIS 7 1HB HIS 7 5.611 -5.602 18.399 40 HB3 HIS 7 2HB HIS 7 4.099 -5.860 19.256 41 HD1 HIS 7 HD1 HIS 7 7.708 -5.002 19.827 42 HD2 HIS 7 HD2 HIS 7 4.182 -5.314 22.003 43 HE1 HIS 7 HE1 HIS 7 8.204 -3.967 22.054 44 HE2 HIS 7 HE2 HIS 7 6.022 -4.056 23.308 45 H HIS 8 H HIS 8 7.243 -6.857 17.585 46 HA HIS 8 HA HIS 8 9.363 -8.492 18.859 47 HB2 HIS 8 1HB HIS 8 9.356 -7.097 16.151 48 HB3 HIS 8 2HB HIS 8 10.644 -8.123 16.774 49 HD1 HIS 8 HD1 HIS 8 8.865 -8.540 14.128 50 HD2 HIS 8 HD2 HIS 8 8.530 -10.614 17.719 51 HE1 HIS 8 HE1 HIS 8 7.849 -10.755 13.545 52 HE2 HIS 8 HE2 HIS 8 7.782 -12.041 15.705 53 H HIS 9 H HIS 9 11.302 -7.565 19.505 54 HA HIS 9 HA HIS 9 11.812 -4.703 19.122 55 HB2 HIS 9 1HB HIS 9 10.712 -5.009 21.400 56 HB3 HIS 9 2HB HIS 9 12.055 -6.040 21.865 57 HD1 HIS 9 HD1 HIS 9 13.402 -4.698 23.502 58 HD2 HIS 9 HD2 HIS 9 12.203 -2.403 20.251 59 HE1 HIS 9 HE1 HIS 9 14.470 -2.454 23.820 60 HE2 HIS 9 HE2 HIS 9 13.895 -1.163 21.740 61 H HIS 10 H HIS 10 12.803 -6.847 17.717 62 HA HIS 10 HA HIS 10 15.420 -7.661 18.685 63 HB2 HIS 10 1HB HIS 10 14.047 -9.184 17.276 64 HB3 HIS 10 2HB HIS 10 14.100 -8.029 15.952 65 HD1 HIS 10 HD1 HIS 10 16.251 -10.503 17.803 66 HD2 HIS 10 HD2 HIS 10 16.447 -8.095 14.421 67 HE1 HIS 10 HE1 HIS 10 18.300 -11.241 16.565 68 HE2 HIS 10 HE2 HIS 10 18.508 -9.620 14.661 69 H SER 11 H SER 11 16.616 -5.807 18.951 70 HA SER 11 HA SER 11 17.197 -4.121 16.576 71 HB2 SER 11 1HB SER 11 16.369 -2.903 18.598 72 HB3 SER 11 2HB SER 11 17.733 -3.530 19.525 73 HG SER 11 HG SER 11 18.178 -1.452 18.752 74 H SER 12 H SER 12 18.914 -4.863 15.519 75 HA SER 12 HA SER 12 21.472 -5.371 16.783 76 HB2 SER 12 1HB SER 12 21.670 -7.716 15.919 77 HB3 SER 12 2HB SER 12 20.364 -7.574 17.094 78 HG SER 12 HG SER 12 20.169 -7.737 14.275 79 H GLY 13 H GLY 13 20.390 -3.499 14.895 80 HA2 GLY 13 1HA GLY 13 20.902 -4.236 12.170 81 HA3 GLY 13 2HA GLY 13 20.521 -2.641 12.779 82 H ARG 14 H ARG 14 23.181 -4.970 12.528 83 HA ARG 14 HA ARG 14 25.151 -2.786 12.315 84 HB2 ARG 14 1HB ARG 14 25.422 -5.803 12.652 85 HB3 ARG 14 2HB ARG 14 26.780 -4.834 12.099 86 HG2 ARG 14 1HG ARG 14 27.048 -5.163 14.451 87 HG3 ARG 14 2HG ARG 14 26.606 -3.477 14.202 88 HD2 ARG 14 1HD ARG 14 24.260 -4.037 14.839 89 HD3 ARG 14 2HD ARG 14 24.770 -5.698 15.171 90 HE ARG 14 HE ARG 14 25.365 -3.295 16.732 91 HH11 ARG 14 1HH1 ARG 14 25.950 -6.742 16.355 92 HH12 ARG 14 2HH1 ARG 14 26.628 -6.920 17.940 93 HH21 ARG 14 1HH2 ARG 14 26.237 -3.549 18.817 94 HH22 ARG 14 2HH2 ARG 14 26.788 -5.107 19.341 95 H GLU 15 H GLU 15 25.177 -1.922 10.308 96 HA GLU 15 HA GLU 15 24.287 -3.422 8.003 97 HB2 GLU 15 1HB GLU 15 23.886 -0.875 8.571 98 HB3 GLU 15 2HB GLU 15 25.455 -0.629 7.825 99 HG2 GLU 15 1HG GLU 15 23.008 -1.848 6.500 100 HG3 GLU 15 2HG GLU 15 23.608 -0.213 6.253 101 H ASN 16 H ASN 16 25.797 -5.011 7.755 102 HA ASN 16 HA ASN 16 28.526 -4.270 6.871 103 HB2 ASN 16 1HB ASN 16 27.371 -6.961 7.751 104 HB3 ASN 16 2HB ASN 16 29.014 -6.721 7.155 105 HD21 ASN 16 2HD2 ASN 16 30.507 -5.600 8.478 106 HD22 ASN 16 1HD2 ASN 16 30.234 -5.385 10.168 107 H LEU 17 H LEU 17 28.892 -4.359 4.719 108 HA LEU 17 HA LEU 17 26.780 -4.802 2.893 109 HB2 LEU 17 1HB LEU 17 28.421 -4.384 1.088 110 HB3 LEU 17 2HB LEU 17 28.385 -3.135 2.308 111 HG LEU 17 HG LEU 17 30.545 -5.260 2.417 112 HD11 LEU 17 1HD1 LEU 17 32.025 -3.861 1.036 113 HD12 LEU 17 2HD1 LEU 17 30.685 -2.760 0.701 114 HD13 LEU 17 3HD1 LEU 17 30.631 -4.425 0.116 115 HD21 LEU 17 3HD2 LEU 17 31.861 -3.477 3.496 116 HD22 LEU 17 1HD2 LEU 17 30.345 -3.749 4.352 117 HD23 LEU 17 2HD2 LEU 17 30.520 -2.348 3.294 118 H TYR 18 H TYR 18 26.028 -6.865 3.095 119 HA TYR 18 HA TYR 18 27.488 -8.932 1.600 120 HB2 TYR 18 1HB TYR 18 26.181 -9.377 4.328 121 HB3 TYR 18 2HB TYR 18 26.587 -10.695 3.232 122 HD1 TYR 18 HD2 TYR 18 29.038 -11.111 2.646 123 HD2 TYR 18 HD1 TYR 18 27.878 -8.392 5.732 124 HE1 TYR 18 HE2 TYR 18 31.315 -11.183 3.566 125 HE2 TYR 18 HE1 TYR 18 30.153 -8.463 6.645 126 HH TYR 18 HH TYR 18 32.100 -9.951 6.632 127 H PHE 19 H PHE 19 26.097 -10.495 0.632 128 HA PHE 19 HA PHE 19 23.437 -9.444 -0.013 129 HB2 PHE 19 1HB PHE 19 25.057 -11.675 -1.323 130 HB3 PHE 19 2HB PHE 19 23.507 -11.065 -1.903 131 HD1 PHE 19 HD2 PHE 19 23.375 -8.542 -2.528 132 HD2 PHE 19 HD1 PHE 19 27.077 -10.648 -2.074 133 HE1 PHE 19 HE2 PHE 19 24.528 -6.805 -3.833 134 HE2 PHE 19 HE1 PHE 19 28.219 -8.899 -3.369 135 HZ PHE 19 HZ PHE 19 26.950 -6.980 -4.254 136 H GLN 20 H GLN 20 21.795 -10.187 1.203 137 HA GLN 20 HA GLN 20 21.793 -12.915 2.302 138 HB2 GLN 20 1HB GLN 20 19.738 -10.669 2.596 139 HB3 GLN 20 2HB GLN 20 19.719 -12.197 3.472 140 HG2 GLN 20 1HG GLN 20 21.852 -11.577 4.578 141 HG3 GLN 20 2HG GLN 20 21.851 -10.047 3.706 142 HE21 GLN 20 2HE2 GLN 20 21.878 -10.486 6.576 143 HE22 GLN 20 1HE2 GLN 20 20.473 -9.709 7.211 144 H GLY 21 H GLY 21 21.954 -13.466 -0.088 145 HA2 GLY 21 1HA GLY 21 19.799 -13.130 -1.900 146 HA3 GLY 21 2HA GLY 21 21.135 -14.256 -2.057 147 H HIS 22 H HIS 22 17.856 -13.938 -1.490 148 HA HIS 22 HA HIS 22 17.532 -16.819 -0.865 149 HB2 HIS 22 1HB HIS 22 15.908 -14.425 0.124 150 HB3 HIS 22 2HB HIS 22 15.282 -16.066 0.180 151 HD1 HIS 22 HD1 HIS 22 16.517 -17.757 1.786 152 HD2 HIS 22 HD2 HIS 22 17.674 -13.786 2.176 153 HE1 HIS 22 HE1 HIS 22 17.737 -17.620 3.970 154 HE2 HIS 22 HE2 HIS 22 18.313 -15.184 4.240 155 H MET 23 H MET 23 15.097 -17.405 -1.484 156 HA MET 23 HA MET 23 14.804 -17.142 -4.292 157 HB2 MET 23 1HB MET 23 12.848 -18.140 -2.180 158 HB3 MET 23 2HB MET 23 12.530 -18.217 -3.913 159 HG2 MET 23 1HG MET 23 13.325 -20.368 -3.079 160 HG3 MET 23 2HG MET 23 14.477 -19.678 -4.221 161 HE1 MET 23 3HE MET 23 16.917 -21.529 -1.798 162 HE2 MET 23 1HE MET 23 16.475 -21.242 -3.482 163 HE3 MET 23 2HE MET 23 15.363 -22.094 -2.407 164 HA PRO 24 HA PRO 24 13.075 -13.032 -4.288 165 HB2 PRO 24 1HB PRO 24 12.478 -12.760 -6.922 166 HB3 PRO 24 2HB PRO 24 14.149 -12.927 -6.363 167 HG2 PRO 24 1HG PRO 24 12.304 -15.059 -7.444 168 HG3 PRO 24 2HG PRO 24 13.974 -14.685 -7.929 169 HD2 PRO 24 1HD PRO 24 13.407 -16.686 -6.185 170 HD3 PRO 24 2HD PRO 24 14.890 -15.714 -6.040 171 H ASN 25 H ASN 25 11.086 -15.201 -3.539 172 HA ASN 25 HA ASN 25 8.553 -14.127 -4.368 173 HB2 ASN 25 1HB ASN 25 8.631 -16.384 -3.365 174 HB3 ASN 25 2HB ASN 25 9.324 -15.732 -1.881 175 HD21 ASN 25 2HD2 ASN 25 7.689 -16.414 -0.535 176 HD22 ASN 25 1HD2 ASN 25 6.078 -15.791 -0.583 177 H ASP 26 H ASP 26 8.545 -11.942 -4.150 178 HA ASP 26 HA ASP 26 9.133 -10.673 -1.527 179 HB2 ASP 26 1HB ASP 26 10.419 -9.966 -3.689 180 HB3 ASP 26 2HB ASP 26 8.903 -9.269 -4.240 181 H MET 27 H MET 27 7.677 -8.538 -1.422 182 HA MET 27 HA MET 27 4.903 -9.355 -1.321 183 HB2 MET 27 1HB MET 27 4.537 -7.263 -0.154 184 HB3 MET 27 2HB MET 27 6.062 -7.918 0.433 185 HG2 MET 27 1HG MET 27 7.268 -6.410 -1.144 186 HG3 MET 27 2HG MET 27 5.719 -5.698 -1.595 187 HE1 MET 27 3HE MET 27 7.384 -2.851 0.381 188 HE2 MET 27 1HE MET 27 6.581 -3.325 -1.114 189 HE3 MET 27 2HE MET 27 8.165 -3.997 -0.709 190 H GLU 28 H GLU 28 6.723 -8.215 -3.888 191 HA GLU 28 HA GLU 28 5.697 -5.863 -4.844 192 HB2 GLU 28 1HB GLU 28 6.604 -8.268 -6.474 193 HB3 GLU 28 2HB GLU 28 6.416 -6.642 -7.128 194 HG2 GLU 28 1HG GLU 28 8.192 -5.805 -5.700 195 HG3 GLU 28 2HG GLU 28 8.303 -7.357 -4.871 196 H ASP 29 H ASP 29 4.578 -9.024 -6.117 197 HA ASP 29 HA ASP 29 2.377 -7.923 -7.555 198 HB2 ASP 29 1HB ASP 29 3.016 -10.809 -6.793 199 HB3 ASP 29 2HB ASP 29 1.744 -10.338 -7.916 200 H HIS 30 H HIS 30 2.798 -9.039 -4.313 201 HA HIS 30 HA HIS 30 0.068 -9.713 -3.713 202 HB2 HIS 30 1HB HIS 30 2.379 -9.178 -1.802 203 HB3 HIS 30 2HB HIS 30 0.878 -10.017 -1.412 204 HD1 HIS 30 HD1 HIS 30 4.033 -11.057 -1.456 205 HD2 HIS 30 HD2 HIS 30 0.891 -12.146 -3.939 206 HE1 HIS 30 HE1 HIS 30 4.644 -13.299 -2.386 207 HE2 HIS 30 HE2 HIS 30 2.821 -13.842 -4.020 208 H LEU 31 H LEU 31 2.114 -6.887 -3.347 209 HA LEU 31 HA LEU 31 0.287 -5.344 -1.721 210 HB2 LEU 31 1HB LEU 31 2.806 -5.177 -1.627 211 HB3 LEU 31 2HB LEU 31 2.806 -4.501 -3.238 212 HG LEU 31 HG LEU 31 3.150 -2.871 -1.280 213 HD11 LEU 31 1HD1 LEU 31 2.640 -2.027 -3.506 214 HD12 LEU 31 2HD1 LEU 31 1.879 -1.040 -2.266 215 HD13 LEU 31 3HD1 LEU 31 0.910 -2.187 -3.193 216 HD21 LEU 31 3HD2 LEU 31 0.168 -3.250 -0.871 217 HD22 LEU 31 1HD2 LEU 31 1.189 -2.048 -0.077 218 HD23 LEU 31 2HD2 LEU 31 1.443 -3.762 0.240 219 H LEU 32 H LEU 32 1.196 -5.692 -5.093 220 HA LEU 32 HA LEU 32 -0.387 -3.610 -6.197 221 HB2 LEU 32 1HB LEU 32 1.577 -4.839 -7.233 222 HB3 LEU 32 2HB LEU 32 0.504 -6.186 -7.548 223 HG LEU 32 HG LEU 32 -0.227 -3.463 -8.658 224 HD11 LEU 32 1HD1 LEU 32 1.814 -5.289 -9.959 225 HD12 LEU 32 2HD1 LEU 32 2.124 -3.690 -9.280 226 HD13 LEU 32 3HD1 LEU 32 1.086 -3.855 -10.694 227 HD21 LEU 32 3HD2 LEU 32 -0.603 -6.275 -9.736 228 HD22 LEU 32 1HD2 LEU 32 -1.206 -4.790 -10.480 229 HD23 LEU 32 2HD2 LEU 32 -1.828 -5.308 -8.915 230 H THR 33 H THR 33 -1.085 -6.970 -5.297 231 HA THR 33 HA THR 33 -3.732 -7.181 -6.315 232 HB THR 33 HB THR 33 -2.479 -8.596 -3.911 233 HG1 THR 33 HG1 THR 33 -1.379 -9.596 -5.387 234 HG21 THR 33 3HG2 THR 33 -4.890 -9.415 -5.586 235 HG22 THR 33 1HG2 THR 33 -4.952 -8.838 -3.918 236 HG23 THR 33 2HG2 THR 33 -4.160 -10.368 -4.293 237 H VAL 34 H VAL 34 -2.420 -6.128 -3.170 238 HA VAL 34 HA VAL 34 -4.784 -5.553 -1.782 239 HB VAL 34 HB VAL 34 -2.011 -4.287 -1.636 240 HG11 VAL 34 1HG1 VAL 34 -4.309 -3.809 0.293 241 HG12 VAL 34 2HG1 VAL 34 -3.567 -2.611 -0.769 242 HG13 VAL 34 3HG1 VAL 34 -2.634 -3.308 0.555 243 HG21 VAL 34 3HG2 VAL 34 -1.772 -5.648 0.413 244 HG22 VAL 34 1HG2 VAL 34 -2.125 -6.655 -0.991 245 HG23 VAL 34 2HG2 VAL 34 -3.395 -6.297 0.179 246 H LEU 35 H LEU 35 -2.873 -3.528 -3.982 247 HA LEU 35 HA LEU 35 -4.413 -1.165 -3.802 248 HB2 LEU 35 1HB LEU 35 -2.616 -2.197 -6.024 249 HB3 LEU 35 2HB LEU 35 -3.262 -0.561 -5.958 250 HG LEU 35 HG LEU 35 -1.423 -1.754 -3.845 251 HD11 LEU 35 1HD1 LEU 35 -0.711 0.139 -6.097 252 HD12 LEU 35 2HD1 LEU 35 -0.225 -1.553 -5.959 253 HD13 LEU 35 3HD1 LEU 35 0.363 -0.374 -4.790 254 HD21 LEU 35 3HD2 LEU 35 -1.193 0.553 -3.032 255 HD22 LEU 35 1HD2 LEU 35 -2.870 0.021 -2.956 256 HD23 LEU 35 2HD2 LEU 35 -2.347 1.114 -4.241 257 H SER 36 H SER 36 -4.715 -4.058 -5.802 258 HA SER 36 HA SER 36 -6.587 -3.111 -7.702 259 HB2 SER 36 1HB SER 36 -5.264 -5.195 -7.976 260 HB3 SER 36 2HB SER 36 -6.181 -5.958 -6.683 261 HG SER 36 HG SER 36 -7.304 -4.963 -9.094 262 H VAL 37 H VAL 37 -6.958 -4.550 -4.521 263 HA VAL 37 HA VAL 37 -9.831 -4.658 -4.524 264 HB VAL 37 HB VAL 37 -7.861 -4.710 -2.184 265 HG11 VAL 37 1HG1 VAL 37 -10.128 -4.179 -1.404 266 HG12 VAL 37 2HG1 VAL 37 -9.677 -5.806 -0.901 267 HG13 VAL 37 3HG1 VAL 37 -10.778 -5.579 -2.261 268 HG21 VAL 37 3HG2 VAL 37 -7.412 -6.526 -3.775 269 HG22 VAL 37 1HG2 VAL 37 -9.105 -7.025 -3.722 270 HG23 VAL 37 2HG2 VAL 37 -8.092 -7.177 -2.284 271 H ALA 38 H ALA 38 -7.376 -2.462 -3.213 272 HA ALA 38 HA ALA 38 -9.113 -0.825 -1.683 273 HB1 ALA 38 3HB ALA 38 -6.293 -0.235 -2.626 274 HB2 ALA 38 1HB ALA 38 -6.712 -1.143 -1.172 275 HB3 ALA 38 2HB ALA 38 -7.145 0.560 -1.302 276 H SER 39 H SER 39 -7.976 -0.614 -5.012 277 HA SER 39 HA SER 39 -9.188 2.011 -5.445 278 HB2 SER 39 1HB SER 39 -8.300 1.786 -7.746 279 HB3 SER 39 2HB SER 39 -7.032 1.506 -6.554 280 HG SER 39 HG SER 39 -6.761 -0.375 -7.406 281 H GLY 40 H GLY 40 -9.499 -1.338 -6.628 282 HA2 GLY 40 1HA GLY 40 -11.657 -2.388 -6.907 283 HA3 GLY 40 2HA GLY 40 -12.320 -0.835 -7.408 284 H VAL 41 H VAL 41 -9.488 -0.702 -8.939 285 HA VAL 41 HA VAL 41 -10.499 -1.685 -11.472 286 HB VAL 41 HB VAL 41 -8.518 -0.710 -12.476 287 HG11 VAL 41 1HG1 VAL 41 -8.668 1.635 -11.818 288 HG12 VAL 41 2HG1 VAL 41 -9.474 1.180 -10.311 289 HG13 VAL 41 3HG1 VAL 41 -10.270 0.896 -11.861 290 HG21 VAL 41 3HG2 VAL 41 -6.784 -1.439 -10.916 291 HG22 VAL 41 1HG2 VAL 41 -7.384 -0.316 -9.692 292 HG23 VAL 41 2HG2 VAL 41 -6.666 0.300 -11.180 293 HA PRO 42 HA PRO 42 -8.315 -5.668 -11.485 294 HB2 PRO 42 1HB PRO 42 -7.458 -5.819 -14.126 295 HB3 PRO 42 2HB PRO 42 -9.109 -6.168 -13.601 296 HG2 PRO 42 1HG PRO 42 -7.995 -3.607 -14.749 297 HG3 PRO 42 2HG PRO 42 -9.500 -4.463 -15.164 298 HD2 PRO 42 1HD PRO 42 -9.552 -2.330 -13.536 299 HD3 PRO 42 2HD PRO 42 -10.604 -3.731 -13.222 300 H LYS 43 H LYS 43 -6.226 -6.567 -11.518 301 HA LYS 43 HA LYS 43 -4.109 -4.954 -10.635 302 HB2 LYS 43 1HB LYS 43 -4.081 -7.819 -11.694 303 HB3 LYS 43 2HB LYS 43 -2.752 -7.062 -10.819 304 HG2 LYS 43 1HG LYS 43 -4.216 -6.798 -8.829 305 HG3 LYS 43 2HG LYS 43 -5.534 -7.573 -9.709 306 HD2 LYS 43 1HD LYS 43 -4.413 -9.144 -8.153 307 HD3 LYS 43 2HD LYS 43 -4.266 -9.670 -9.832 308 HE2 LYS 43 1HE LYS 43 -1.967 -8.716 -9.897 309 HE3 LYS 43 2HE LYS 43 -2.133 -8.256 -8.201 310 HZ1 LYS 43 3HZ LYS 43 -2.277 -10.529 -7.577 311 HZ2 LYS 43 1HZ LYS 43 -0.923 -10.354 -8.576 312 HZ3 LYS 43 2HZ LYS 43 -2.342 -11.047 -9.187 313 H GLU 44 H GLU 44 -5.047 -5.876 -13.828 314 HA GLU 44 HA GLU 44 -2.639 -5.697 -15.259 315 HB2 GLU 44 1HB GLU 44 -4.787 -6.717 -16.079 316 HB3 GLU 44 2HB GLU 44 -5.479 -5.106 -16.203 317 HG2 GLU 44 1HG GLU 44 -4.857 -5.790 -18.402 318 HG3 GLU 44 2HG GLU 44 -3.706 -4.549 -17.905 319 H GLU 45 H GLU 45 -4.979 -3.221 -14.267 320 HA GLU 45 HA GLU 45 -3.805 -1.133 -15.943 321 HB2 GLU 45 1HB GLU 45 -6.125 -0.968 -13.968 322 HB3 GLU 45 2HB GLU 45 -5.657 0.274 -15.128 323 HG2 GLU 45 1HG GLU 45 -6.118 -1.422 -16.973 324 HG3 GLU 45 2HG GLU 45 -6.813 -2.461 -15.731 325 H ILE 46 H ILE 46 -2.928 -2.408 -13.051 326 HA ILE 46 HA ILE 46 -2.243 0.133 -11.713 327 HB ILE 46 HB ILE 46 -1.906 -2.722 -10.673 328 HG12 ILE 46 1HG1 ILE 46 -4.139 -0.702 -10.136 329 HG13 ILE 46 2HG1 ILE 46 -4.297 -2.187 -11.068 330 HG21 ILE 46 1HG2 ILE 46 -1.768 -0.049 -9.199 331 HG22 ILE 46 2HG2 ILE 46 -0.401 -1.103 -9.558 332 HG23 ILE 46 3HG2 ILE 46 -1.655 -1.642 -8.445 333 HD11 ILE 46 3HD1 ILE 46 -5.235 -2.444 -8.884 334 HD12 ILE 46 1HD1 ILE 46 -3.712 -1.981 -8.129 335 HD13 ILE 46 2HD1 ILE 46 -3.821 -3.483 -9.052 336 H SER 47 H SER 47 -0.176 0.822 -11.545 337 HA SER 47 HA SER 47 2.080 -0.973 -12.052 338 HB2 SER 47 1HB SER 47 1.617 0.110 -14.247 339 HB3 SER 47 2HB SER 47 1.716 1.699 -13.489 340 HG SER 47 HG SER 47 3.664 0.530 -14.595 341 H ARG 48 H ARG 48 3.957 -0.344 -10.982 342 HA ARG 48 HA ARG 48 3.869 1.470 -8.819 343 HB2 ARG 48 1HB ARG 48 6.458 1.249 -8.888 344 HB3 ARG 48 2HB ARG 48 5.515 -0.196 -8.587 345 HG2 ARG 48 1HG ARG 48 7.183 -0.932 -10.067 346 HG3 ARG 48 2HG ARG 48 5.779 -0.698 -11.110 347 HD2 ARG 48 1HD ARG 48 6.740 1.611 -11.653 348 HD3 ARG 48 2HD ARG 48 8.218 1.086 -10.836 349 HE ARG 48 HE ARG 48 7.686 -0.892 -12.656 350 HH11 ARG 48 1HH1 ARG 48 8.291 2.563 -12.878 351 HH12 ARG 48 2HH1 ARG 48 8.851 2.472 -14.516 352 HH21 ARG 48 1HH2 ARG 48 8.386 -0.974 -14.802 353 HH22 ARG 48 2HH2 ARG 48 8.903 0.471 -15.605 354 H ASP 49 H ASP 49 4.653 1.850 -12.211 355 HA ASP 49 HA ASP 49 5.500 4.621 -11.973 356 HB2 ASP 49 1HB ASP 49 6.461 3.082 -13.709 357 HB3 ASP 49 2HB ASP 49 4.881 2.990 -14.481 358 H SER 50 H SER 50 3.672 5.377 -10.882 359 HA SER 50 HA SER 50 1.549 6.460 -12.468 360 HB2 SER 50 1HB SER 50 0.594 4.178 -12.135 361 HB3 SER 50 2HB SER 50 0.842 4.315 -10.393 362 HG SER 50 HG SER 50 -1.233 5.146 -11.858 363 H ARG 51 H ARG 51 0.463 8.143 -11.301 364 HA ARG 51 HA ARG 51 1.977 9.203 -9.013 365 HB2 ARG 51 1HB ARG 51 -0.457 10.545 -10.238 366 HB3 ARG 51 2HB ARG 51 0.926 11.291 -9.454 367 HG2 ARG 51 1HG ARG 51 2.314 10.856 -11.415 368 HG3 ARG 51 2HG ARG 51 0.996 9.965 -12.181 369 HD2 ARG 51 1HD ARG 51 -0.381 12.114 -12.040 370 HD3 ARG 51 2HD ARG 51 1.105 12.936 -11.564 371 HE ARG 51 HE ARG 51 2.039 12.360 -13.731 372 HH11 ARG 51 1HH1 ARG 51 -1.448 11.935 -13.467 373 HH12 ARG 51 2HH1 ARG 51 -1.723 12.161 -15.164 374 HH21 ARG 51 1HH2 ARG 51 1.651 12.651 -15.962 375 HH22 ARG 51 2HH2 ARG 51 0.033 12.555 -16.573 376 H MET 52 H MET 52 0.293 6.826 -8.524 377 HA MET 52 HA MET 52 -1.364 5.902 -7.322 378 HB2 MET 52 1HB MET 52 -1.558 8.636 -5.982 379 HB3 MET 52 2HB MET 52 -2.456 7.220 -5.457 380 HG2 MET 52 1HG MET 52 0.553 7.513 -5.446 381 HG3 MET 52 2HG MET 52 -0.520 7.582 -4.041 382 HE1 MET 52 3HE MET 52 0.960 4.151 -3.209 383 HE2 MET 52 1HE MET 52 0.326 5.665 -2.563 384 HE3 MET 52 2HE MET 52 1.743 5.675 -3.614 385 H GLU 53 H GLU 53 -1.870 6.872 -9.893 386 HA GLU 53 HA GLU 53 -4.128 8.497 -10.270 387 HB2 GLU 53 1HB GLU 53 -2.989 6.280 -12.024 388 HB3 GLU 53 2HB GLU 53 -4.235 7.398 -12.562 389 HG2 GLU 53 1HG GLU 53 -1.422 8.175 -11.715 390 HG3 GLU 53 2HG GLU 53 -1.981 8.018 -13.381 391 H ASP 54 H ASP 54 -5.739 7.913 -8.817 392 HA ASP 54 HA ASP 54 -7.636 6.999 -8.036 393 HB2 ASP 54 1HB ASP 54 -7.664 5.484 -10.681 394 HB3 ASP 54 2HB ASP 54 -9.010 5.520 -9.549 395 H LEU 55 H LEU 55 -4.894 5.553 -7.827 396 HA LEU 55 HA LEU 55 -5.731 2.780 -7.267 397 HB2 LEU 55 1HB LEU 55 -2.945 3.994 -7.377 398 HB3 LEU 55 2HB LEU 55 -3.310 2.285 -7.172 399 HG LEU 55 HG LEU 55 -3.892 3.946 -9.657 400 HD11 LEU 55 1HD1 LEU 55 -1.513 3.450 -9.433 401 HD12 LEU 55 2HD1 LEU 55 -2.218 2.546 -10.771 402 HD13 LEU 55 3HD1 LEU 55 -1.870 1.730 -9.246 403 HD21 LEU 55 3HD2 LEU 55 -4.437 0.996 -9.178 404 HD22 LEU 55 1HD2 LEU 55 -4.614 1.843 -10.718 405 HD23 LEU 55 2HD2 LEU 55 -5.651 2.266 -9.361 406 H ALA 56 H ALA 56 -4.240 5.591 -5.733 407 HA ALA 56 HA ALA 56 -5.147 4.862 -3.111 408 HB1 ALA 56 3HB ALA 56 -2.937 4.756 -2.027 409 HB2 ALA 56 1HB ALA 56 -2.138 4.939 -3.589 410 HB3 ALA 56 2HB ALA 56 -3.080 3.488 -3.241 411 H PHE 57 H PHE 57 -3.603 6.554 -1.579 412 HA PHE 57 HA PHE 57 -3.066 8.630 -0.980 413 HB2 PHE 57 1HB PHE 57 -2.024 9.061 -3.192 414 HB3 PHE 57 2HB PHE 57 -3.585 9.551 -3.838 415 HD1 PHE 57 HD1 PHE 57 -1.121 10.423 -1.144 416 HD2 PHE 57 HD2 PHE 57 -4.191 11.849 -3.769 417 HE1 PHE 57 HE1 PHE 57 -0.693 12.726 -0.406 418 HE2 PHE 57 HE2 PHE 57 -3.746 14.146 -3.027 419 HZ PHE 57 HZ PHE 57 -2.003 14.588 -1.343 420 H ASP 58 H ASP 58 -6.084 8.144 -2.721 421 HA ASP 58 HA ASP 58 -7.722 10.075 -1.529 422 HB2 ASP 58 1HB ASP 58 -8.573 8.631 -3.282 423 HB3 ASP 58 2HB ASP 58 -8.262 7.186 -2.333 424 H SER 59 H SER 59 -8.696 10.262 0.476 425 HA SER 59 HA SER 59 -7.292 9.480 2.722 426 HB2 SER 59 1HB SER 59 -10.221 10.296 2.624 427 HB3 SER 59 2HB SER 59 -9.156 10.404 4.028 428 HG SER 59 HG SER 59 -7.831 11.816 2.672 429 H LEU 60 H LEU 60 -10.255 7.979 1.406 430 HA LEU 60 HA LEU 60 -10.639 6.138 3.561 431 HB2 LEU 60 1HB LEU 60 -12.453 6.914 2.041 432 HB3 LEU 60 2HB LEU 60 -11.708 6.043 0.710 433 HG LEU 60 HG LEU 60 -12.131 3.885 1.917 434 HD11 LEU 60 1HD1 LEU 60 -12.133 4.676 4.231 435 HD12 LEU 60 2HD1 LEU 60 -13.632 3.826 3.870 436 HD13 LEU 60 3HD1 LEU 60 -13.616 5.590 3.945 437 HD21 LEU 60 3HD2 LEU 60 -14.616 5.576 1.480 438 HD22 LEU 60 1HD2 LEU 60 -14.560 3.812 1.537 439 HD23 LEU 60 2HD2 LEU 60 -13.738 4.676 0.240 440 H VAL 61 H VAL 61 -9.034 5.945 0.396 441 HA VAL 61 HA VAL 61 -8.414 3.166 0.478 442 HB VAL 61 HB VAL 61 -6.908 5.355 -1.045 443 HG11 VAL 61 1HG1 VAL 61 -5.594 3.285 -0.903 444 HG12 VAL 61 2HG1 VAL 61 -6.195 3.493 -2.547 445 HG13 VAL 61 3HG1 VAL 61 -6.973 2.339 -1.466 446 HG21 VAL 61 3HG2 VAL 61 -8.314 4.732 -2.986 447 HG22 VAL 61 1HG2 VAL 61 -9.303 5.327 -1.650 448 HG23 VAL 61 2HG2 VAL 61 -9.216 3.595 -1.980 449 H VAL 62 H VAL 62 -6.707 6.056 1.663 450 HA VAL 62 HA VAL 62 -4.268 4.773 2.419 451 HB VAL 62 HB VAL 62 -5.497 7.399 3.410 452 HG11 VAL 62 1HG1 VAL 62 -3.234 7.995 4.252 453 HG12 VAL 62 2HG1 VAL 62 -2.656 6.377 3.839 454 HG13 VAL 62 3HG1 VAL 62 -3.887 6.583 5.085 455 HG21 VAL 62 3HG2 VAL 62 -3.876 8.481 1.879 456 HG22 VAL 62 1HG2 VAL 62 -4.960 7.402 1.002 457 HG23 VAL 62 2HG2 VAL 62 -3.306 6.896 1.349 458 H SER 63 H SER 63 -7.358 5.342 4.064 459 HA SER 63 HA SER 63 -6.689 4.490 6.671 460 HB2 SER 63 1HB SER 63 -9.370 4.213 5.230 461 HB3 SER 63 2HB SER 63 -9.122 4.135 6.975 462 HG SER 63 HG SER 63 -9.119 6.322 5.263 463 H GLU 64 H GLU 64 -8.031 2.708 3.894 464 HA GLU 64 HA GLU 64 -8.093 0.132 5.079 465 HB2 GLU 64 1HB GLU 64 -9.475 0.755 3.124 466 HB3 GLU 64 2HB GLU 64 -8.031 0.956 2.138 467 HG2 GLU 64 1HG GLU 64 -9.165 -1.157 1.628 468 HG3 GLU 64 2HG GLU 64 -7.559 -1.448 2.288 469 H LEU 65 H LEU 65 -5.661 1.875 3.220 470 HA LEU 65 HA LEU 65 -3.927 -0.302 2.619 471 HB2 LEU 65 1HB LEU 65 -3.958 1.809 1.323 472 HB3 LEU 65 2HB LEU 65 -3.370 2.689 2.723 473 HG LEU 65 HG LEU 65 -1.204 1.433 2.587 474 HD11 LEU 65 1HD1 LEU 65 -1.969 -0.642 1.523 475 HD12 LEU 65 2HD1 LEU 65 -0.659 0.083 0.597 476 HD13 LEU 65 3HD1 LEU 65 -2.324 0.230 0.029 477 HD21 LEU 65 3HD2 LEU 65 -1.981 2.860 0.016 478 HD22 LEU 65 1HD2 LEU 65 -0.333 2.569 0.579 479 HD23 LEU 65 2HD2 LEU 65 -1.399 3.626 1.497 480 H SER 66 H SER 66 -3.953 2.180 5.157 481 HA SER 66 HA SER 66 -1.573 1.418 6.488 482 HB2 SER 66 1HB SER 66 -2.614 3.635 6.814 483 HB3 SER 66 2HB SER 66 -4.015 2.883 7.576 484 HG SER 66 HG SER 66 -1.970 3.742 8.831 485 H LEU 67 H LEU 67 -4.972 0.581 6.955 486 HA LEU 67 HA LEU 67 -4.732 -1.062 9.236 487 HB2 LEU 67 1HB LEU 67 -6.850 -0.056 8.323 488 HB3 LEU 67 2HB LEU 67 -6.784 -1.197 6.989 489 HG LEU 67 HG LEU 67 -6.973 -3.072 8.692 490 HD11 LEU 67 1HD1 LEU 67 -7.782 -2.554 10.954 491 HD12 LEU 67 2HD1 LEU 67 -7.592 -0.829 10.641 492 HD13 LEU 67 3HD1 LEU 67 -6.176 -1.881 10.681 493 HD21 LEU 67 3HD2 LEU 67 -8.919 -2.347 7.391 494 HD22 LEU 67 1HD2 LEU 67 -9.287 -1.105 8.594 495 HD23 LEU 67 2HD2 LEU 67 -9.398 -2.815 9.020 496 H LYS 68 H LYS 68 -4.390 -1.669 5.786 497 HA LYS 68 HA LYS 68 -4.414 -4.521 5.854 498 HB2 LYS 68 1HB LYS 68 -4.879 -2.984 3.829 499 HB3 LYS 68 2HB LYS 68 -3.139 -2.784 3.694 500 HG2 LYS 68 1HG LYS 68 -3.790 -4.476 2.130 501 HG3 LYS 68 2HG LYS 68 -2.941 -5.294 3.442 502 HD2 LYS 68 1HD LYS 68 -4.925 -6.571 2.793 503 HD3 LYS 68 2HD LYS 68 -5.115 -5.951 4.431 504 HE2 LYS 68 1HE LYS 68 -6.483 -4.051 3.471 505 HE3 LYS 68 2HE LYS 68 -6.408 -4.862 1.906 506 HZ1 LYS 68 3HZ LYS 68 -7.617 -5.944 4.395 507 HZ2 LYS 68 1HZ LYS 68 -7.506 -6.785 2.934 508 HZ3 LYS 68 2HZ LYS 68 -8.455 -5.391 3.039 509 H LEU 69 H LEU 69 -1.829 -2.107 5.501 510 HA LEU 69 HA LEU 69 0.380 -3.827 5.479 511 HB2 LEU 69 1HB LEU 69 0.195 -0.942 6.423 512 HB3 LEU 69 2HB LEU 69 1.704 -1.801 6.154 513 HG LEU 69 HG LEU 69 -0.342 -1.096 4.014 514 HD11 LEU 69 1HD1 LEU 69 2.416 0.044 4.517 515 HD12 LEU 69 2HD1 LEU 69 0.878 0.865 4.793 516 HD13 LEU 69 3HD1 LEU 69 1.365 0.440 3.154 517 HD21 LEU 69 3HD2 LEU 69 0.741 -3.204 3.433 518 HD22 LEU 69 1HD2 LEU 69 2.336 -2.491 3.696 519 HD23 LEU 69 2HD2 LEU 69 1.311 -1.913 2.379 520 H ARG 70 H ARG 70 -1.423 -2.360 8.111 521 HA ARG 70 HA ARG 70 0.346 -2.730 10.239 522 HB2 ARG 70 1HB ARG 70 -1.557 -1.228 10.369 523 HB3 ARG 70 2HB ARG 70 -2.689 -2.566 10.216 524 HG2 ARG 70 1HG ARG 70 -2.272 -3.328 12.424 525 HG3 ARG 70 2HG ARG 70 -0.772 -2.407 12.552 526 HD2 ARG 70 1HD ARG 70 -3.543 -1.166 12.377 527 HD3 ARG 70 2HD ARG 70 -2.642 -1.424 13.877 528 HE ARG 70 HE ARG 70 -0.884 0.046 12.895 529 HH11 ARG 70 1HH1 ARG 70 -4.205 0.457 11.845 530 HH12 ARG 70 2HH1 ARG 70 -3.965 2.106 11.384 531 HH21 ARG 70 1HH2 ARG 70 -0.597 2.187 12.277 532 HH22 ARG 70 2HH2 ARG 70 -1.912 3.090 11.610 533 H LYS 71 H LYS 71 -2.422 -4.843 9.280 534 HA LYS 71 HA LYS 71 -1.585 -6.894 11.190 535 HB2 LYS 71 1HB LYS 71 -3.865 -6.958 9.165 536 HB3 LYS 71 2HB LYS 71 -3.550 -8.179 10.392 537 HG2 LYS 71 1HG LYS 71 -3.866 -6.283 12.117 538 HG3 LYS 71 2HG LYS 71 -4.545 -5.348 10.780 539 HD2 LYS 71 1HD LYS 71 -6.188 -7.241 10.396 540 HD3 LYS 71 2HD LYS 71 -5.576 -8.003 11.866 541 HE2 LYS 71 1HE LYS 71 -7.606 -6.835 12.418 542 HE3 LYS 71 2HE LYS 71 -6.270 -5.928 13.128 543 HZ1 LYS 71 3HZ LYS 71 -7.636 -5.274 10.570 544 HZ2 LYS 71 1HZ LYS 71 -6.384 -4.387 11.278 545 HZ3 LYS 71 2HZ LYS 71 -7.887 -4.490 12.045 546 H GLU 72 H GLU 72 -2.149 -6.797 7.653 547 HA GLU 72 HA GLU 72 -1.399 -9.497 7.235 548 HB2 GLU 72 1HB GLU 72 -3.030 -8.218 5.861 549 HB3 GLU 72 2HB GLU 72 -1.718 -7.231 5.233 550 HG2 GLU 72 1HG GLU 72 -0.770 -9.127 4.057 551 HG3 GLU 72 2HG GLU 72 -1.929 -10.229 4.805 552 H PHE 73 H PHE 73 0.327 -6.446 6.503 553 HA PHE 73 HA PHE 73 2.725 -7.904 5.625 554 HB2 PHE 73 1HB PHE 73 2.051 -4.926 5.625 555 HB3 PHE 73 2HB PHE 73 3.592 -5.585 5.078 556 HD1 PHE 73 HD1 PHE 73 -0.088 -5.594 4.375 557 HD2 PHE 73 HD2 PHE 73 3.819 -6.473 2.854 558 HE1 PHE 73 HE1 PHE 73 -1.027 -5.935 2.131 559 HE2 PHE 73 HE2 PHE 73 2.863 -6.806 0.612 560 HZ PHE 73 HZ PHE 73 0.444 -6.539 0.248 561 H GLY 74 H GLY 74 1.534 -6.338 8.475 562 HA2 GLY 74 1HA GLY 74 2.436 -6.292 10.612 563 HA3 GLY 74 2HA GLY 74 3.953 -6.917 9.983 564 H VAL 75 H VAL 75 3.112 -4.319 8.104 565 HA VAL 75 HA VAL 75 5.139 -2.598 9.318 566 HB VAL 75 HB VAL 75 3.623 -2.369 6.662 567 HG11 VAL 75 1HG1 VAL 75 5.347 -0.720 5.995 568 HG12 VAL 75 2HG1 VAL 75 6.034 -0.786 7.620 569 HG13 VAL 75 3HG1 VAL 75 4.404 -0.165 7.378 570 HG21 VAL 75 3HG2 VAL 75 6.450 -3.379 7.207 571 HG22 VAL 75 1HG2 VAL 75 5.727 -3.162 5.610 572 HG23 VAL 75 2HG2 VAL 75 5.066 -4.361 6.719 573 H THR 76 H THR 76 4.414 -1.234 10.881 574 HA THR 76 HA THR 76 1.890 0.277 10.495 575 HB THR 76 HB THR 76 1.358 -1.564 12.027 576 HG1 THR 76 HG1 THR 76 1.388 0.278 13.991 577 HG21 THR 76 3HG2 THR 76 3.617 -2.058 12.916 578 HG22 THR 76 1HG2 THR 76 2.461 -1.803 14.225 579 HG23 THR 76 2HG2 THR 76 3.607 -0.530 13.801 580 H GLY 77 H GLY 77 1.759 2.168 12.059 581 HA2 GLY 77 1HA GLY 77 2.604 4.110 12.960 582 HA3 GLY 77 2HA GLY 77 4.178 3.330 13.110 583 H VAL 78 H VAL 78 2.689 3.256 10.036 584 HA VAL 78 HA VAL 78 4.616 5.226 8.926 585 HB VAL 78 HB VAL 78 4.444 3.914 6.791 586 HG11 VAL 78 1HG1 VAL 78 5.276 2.223 9.178 587 HG12 VAL 78 2HG1 VAL 78 6.280 3.412 8.346 588 HG13 VAL 78 3HG1 VAL 78 5.764 1.951 7.502 589 HG21 VAL 78 3HG2 VAL 78 2.775 1.925 8.401 590 HG22 VAL 78 1HG2 VAL 78 3.378 1.671 6.760 591 HG23 VAL 78 2HG2 VAL 78 2.187 2.932 7.076 592 H ASP 79 H ASP 79 1.745 5.485 9.981 593 HA ASP 79 HA ASP 79 -0.159 5.710 7.948 594 HB2 ASP 79 1HB ASP 79 -0.040 7.218 10.600 595 HB3 ASP 79 2HB ASP 79 -1.472 7.037 9.595 596 H ASP 80 H ASP 80 1.920 8.196 9.403 597 HA ASP 80 HA ASP 80 0.966 10.412 7.884 598 HB2 ASP 80 1HB ASP 80 3.623 10.050 9.349 599 HB3 ASP 80 2HB ASP 80 3.018 11.583 8.727 600 H GLU 81 H GLU 81 3.569 8.073 7.424 601 HA GLU 81 HA GLU 81 4.784 9.326 5.158 602 HB2 GLU 81 1HB GLU 81 4.881 6.437 6.106 603 HB3 GLU 81 2HB GLU 81 5.964 7.149 4.912 604 HG2 GLU 81 1HG GLU 81 6.875 8.681 6.620 605 HG3 GLU 81 2HG GLU 81 5.754 8.032 7.815 606 H LEU 82 H LEU 82 2.113 7.107 5.586 607 HA LEU 82 HA LEU 82 1.763 6.396 2.825 608 HB2 LEU 82 1HB LEU 82 -0.102 6.229 5.214 609 HB3 LEU 82 2HB LEU 82 -0.523 5.626 3.618 610 HG LEU 82 HG LEU 82 1.824 4.613 5.271 611 HD11 LEU 82 1HD1 LEU 82 -0.876 3.323 4.828 612 HD12 LEU 82 2HD1 LEU 82 -0.287 4.018 6.338 613 HD13 LEU 82 3HD1 LEU 82 0.503 2.598 5.662 614 HD21 LEU 82 3HD2 LEU 82 0.639 3.520 2.699 615 HD22 LEU 82 1HD2 LEU 82 1.953 2.797 3.632 616 HD23 LEU 82 2HD2 LEU 82 2.184 4.359 2.851 617 H ASP 83 H ASP 83 0.706 8.995 4.888 618 HA ASP 83 HA ASP 83 -1.145 10.199 3.068 619 HB2 ASP 83 1HB ASP 83 -1.151 10.694 5.491 620 HB3 ASP 83 2HB ASP 83 0.457 11.390 5.375 621 H LEU 84 H LEU 84 2.333 10.397 3.607 622 HA LEU 84 HA LEU 84 2.783 12.631 1.794 623 HB2 LEU 84 1HB LEU 84 4.728 10.867 3.337 624 HB3 LEU 84 2HB LEU 84 5.174 12.314 2.441 625 HG LEU 84 HG LEU 84 3.350 12.264 4.875 626 HD11 LEU 84 1HD1 LEU 84 5.648 11.730 5.502 627 HD12 LEU 84 2HD1 LEU 84 5.190 13.325 6.091 628 HD13 LEU 84 3HD1 LEU 84 6.230 13.178 4.674 629 HD21 LEU 84 3HD2 LEU 84 4.446 14.641 3.336 630 HD22 LEU 84 1HD2 LEU 84 3.519 14.719 4.838 631 HD23 LEU 84 2HD2 LEU 84 2.764 14.106 3.371 632 H LEU 85 H LEU 85 1.893 9.737 0.909 633 HA LEU 85 HA LEU 85 3.986 8.849 -0.838 634 HB2 LEU 85 1HB LEU 85 1.034 8.159 -0.708 635 HB3 LEU 85 2HB LEU 85 2.138 7.425 -1.864 636 HG LEU 85 HG LEU 85 2.367 7.213 1.160 637 HD11 LEU 85 1HD1 LEU 85 1.492 5.143 -0.864 638 HD12 LEU 85 2HD1 LEU 85 0.466 5.939 0.330 639 HD13 LEU 85 3HD1 LEU 85 1.752 4.857 0.856 640 HD21 LEU 85 3HD2 LEU 85 4.581 7.149 0.132 641 HD22 LEU 85 1HD2 LEU 85 4.047 5.918 -1.016 642 HD23 LEU 85 2HD2 LEU 85 4.143 5.544 0.705 643 H GLU 86 H GLU 86 4.505 9.564 -2.751 644 HA GLU 86 HA GLU 86 2.872 11.525 -4.198 645 HB2 GLU 86 1HB GLU 86 5.690 10.472 -4.733 646 HB3 GLU 86 2HB GLU 86 4.917 11.801 -5.590 647 HG2 GLU 86 1HG GLU 86 5.610 11.785 -2.639 648 HG3 GLU 86 2HG GLU 86 6.550 12.573 -3.905 649 H THR 87 H THR 87 4.691 8.532 -4.895 650 HA THR 87 HA THR 87 2.814 7.852 -7.092 651 HB THR 87 HB THR 87 4.748 6.716 -8.207 652 HG1 THR 87 HG1 THR 87 6.437 8.016 -6.323 653 HG21 THR 87 3HG2 THR 87 4.243 9.045 -8.867 654 HG22 THR 87 1HG2 THR 87 5.980 8.737 -8.927 655 HG23 THR 87 2HG2 THR 87 5.295 9.645 -7.579 656 H VAL 88 H VAL 88 2.834 5.487 -7.597 657 HA VAL 88 HA VAL 88 2.357 3.856 -5.292 658 HB VAL 88 HB VAL 88 2.683 2.997 -8.204 659 HG11 VAL 88 1HG1 VAL 88 1.283 1.582 -5.907 660 HG12 VAL 88 2HG1 VAL 88 2.806 1.103 -6.654 661 HG13 VAL 88 3HG1 VAL 88 1.314 1.038 -7.589 662 HG21 VAL 88 3HG2 VAL 88 0.939 4.716 -8.013 663 HG22 VAL 88 1HG2 VAL 88 0.140 3.789 -6.740 664 HG23 VAL 88 2HG2 VAL 88 0.227 3.143 -8.379 665 H ASP 89 H ASP 89 5.036 4.298 -7.542 666 HA ASP 89 HA ASP 89 6.752 2.208 -6.781 667 HB2 ASP 89 1HB ASP 89 7.027 3.687 -8.783 668 HB3 ASP 89 2HB ASP 89 7.466 5.023 -7.730 669 H GLU 90 H GLU 90 6.318 5.481 -5.496 670 HA GLU 90 HA GLU 90 8.241 5.563 -3.468 671 HB2 GLU 90 1HB GLU 90 6.940 7.529 -4.221 672 HB3 GLU 90 2HB GLU 90 5.463 6.818 -3.595 673 HG2 GLU 90 1HG GLU 90 6.124 8.533 -2.077 674 HG3 GLU 90 2HG GLU 90 6.430 6.993 -1.280 675 H LEU 91 H LEU 91 4.882 4.344 -3.422 676 HA LEU 91 HA LEU 91 4.702 3.589 -0.715 677 HB2 LEU 91 1HB LEU 91 2.719 3.771 -2.058 678 HB3 LEU 91 2HB LEU 91 3.289 2.551 -3.185 679 HG LEU 91 HG LEU 91 2.986 0.791 -1.464 680 HD11 LEU 91 1HD1 LEU 91 1.884 2.973 0.336 681 HD12 LEU 91 2HD1 LEU 91 3.394 2.095 0.578 682 HD13 LEU 91 3HD1 LEU 91 1.857 1.239 0.668 683 HD21 LEU 91 3HD2 LEU 91 0.506 2.494 -1.858 684 HD22 LEU 91 1HD2 LEU 91 0.532 0.785 -1.412 685 HD23 LEU 91 2HD2 LEU 91 1.132 1.291 -2.988 686 H PHE 92 H PHE 92 5.718 1.649 -3.558 687 HA PHE 92 HA PHE 92 6.140 -0.795 -2.237 688 HB2 PHE 92 1HB PHE 92 7.302 0.368 -4.787 689 HB3 PHE 92 2HB PHE 92 7.863 -1.188 -4.190 690 HD1 PHE 92 HD2 PHE 92 6.171 -3.081 -3.886 691 HD2 PHE 92 HD1 PHE 92 5.234 0.498 -6.042 692 HE1 PHE 92 HE2 PHE 92 4.298 -4.227 -4.993 693 HE2 PHE 92 HE1 PHE 92 3.371 -0.665 -7.139 694 HZ PHE 92 HZ PHE 92 2.892 -3.014 -6.619 695 H GLN 93 H GLN 93 8.380 1.944 -2.749 696 HA GLN 93 HA GLN 93 10.662 0.754 -1.531 697 HB2 GLN 93 1HB GLN 93 9.958 3.693 -1.877 698 HB3 GLN 93 2HB GLN 93 11.544 3.086 -1.398 699 HG2 GLN 93 1HG GLN 93 11.651 1.854 -3.593 700 HG3 GLN 93 2HG GLN 93 10.165 2.682 -4.065 701 HE21 GLN 93 2HE2 GLN 93 13.554 3.087 -3.309 702 HE22 GLN 93 1HE2 GLN 93 13.730 4.653 -4.024 703 H LEU 94 H LEU 94 7.988 2.680 -0.275 704 HA LEU 94 HA LEU 94 9.010 3.311 2.269 705 HB2 LEU 94 1HB LEU 94 7.081 4.479 1.312 706 HB3 LEU 94 2HB LEU 94 6.138 2.997 1.323 707 HG LEU 94 HG LEU 94 6.197 3.000 3.830 708 HD11 LEU 94 1HD1 LEU 94 6.937 5.005 5.049 709 HD12 LEU 94 2HD1 LEU 94 7.551 5.698 3.545 710 HD13 LEU 94 3HD1 LEU 94 8.272 4.228 4.200 711 HD21 LEU 94 3HD2 LEU 94 4.279 3.971 2.656 712 HD22 LEU 94 1HD2 LEU 94 5.078 5.546 2.620 713 HD23 LEU 94 2HD2 LEU 94 4.602 4.827 4.160 714 H VAL 95 H VAL 95 6.696 0.764 1.331 715 HA VAL 95 HA VAL 95 6.499 -0.450 3.877 716 HB VAL 95 HB VAL 95 5.933 -1.719 1.155 717 HG11 VAL 95 1HG1 VAL 95 4.862 -2.477 3.905 718 HG12 VAL 95 2HG1 VAL 95 6.010 -3.407 2.940 719 HG13 VAL 95 3HG1 VAL 95 4.355 -3.197 2.372 720 HG21 VAL 95 3HG2 VAL 95 4.049 -0.150 2.959 721 HG22 VAL 95 1HG2 VAL 95 3.588 -0.990 1.476 722 HG23 VAL 95 2HG2 VAL 95 4.690 0.385 1.404 723 H GLU 96 H GLU 96 8.660 -0.988 1.126 724 HA GLU 96 HA GLU 96 9.847 -3.438 1.879 725 HB2 GLU 96 1HB GLU 96 9.988 -2.429 -0.385 726 HB3 GLU 96 2HB GLU 96 11.002 -1.141 0.254 727 HG2 GLU 96 1HG GLU 96 12.701 -2.904 0.878 728 HG3 GLU 96 2HG GLU 96 11.714 -4.084 0.014 729 H LYS 97 H LYS 97 10.797 -0.061 2.496 730 HA LYS 97 HA LYS 97 13.254 -0.610 3.794 731 HB2 LYS 97 1HB LYS 97 12.707 1.602 2.804 732 HB3 LYS 97 2HB LYS 97 11.477 1.857 4.031 733 HG2 LYS 97 1HG LYS 97 13.516 3.135 4.537 734 HG3 LYS 97 2HG LYS 97 13.202 1.930 5.788 735 HD2 LYS 97 1HD LYS 97 14.896 0.427 4.709 736 HD3 LYS 97 2HD LYS 97 15.234 1.697 3.531 737 HE2 LYS 97 1HE LYS 97 15.635 1.931 6.532 738 HE3 LYS 97 2HE LYS 97 16.911 1.629 5.354 739 HZ1 LYS 97 3HZ LYS 97 16.839 3.940 5.989 740 HZ2 LYS 97 1HZ LYS 97 15.227 4.074 5.492 741 HZ3 LYS 97 2HZ LYS 97 16.439 3.779 4.354 742 H HIS 98 H HIS 98 9.968 -0.117 5.013 743 HA HIS 98 HA HIS 98 10.720 -0.372 7.802 744 HB2 HIS 98 1HB HIS 98 8.027 -0.126 6.416 745 HB3 HIS 98 2HB HIS 98 8.191 -0.306 8.162 746 HD1 HIS 98 HD1 HIS 98 9.111 1.700 9.482 747 HD2 HIS 98 HD2 HIS 98 8.747 2.433 5.422 748 HE1 HIS 98 HE1 HIS 98 9.408 4.169 9.213 749 HE2 HIS 98 HE2 HIS 98 8.941 4.599 6.793 750 H ARG 99 H ARG 99 9.890 -2.549 5.286 751 HA ARG 99 HA ARG 99 9.026 -4.800 6.848 752 HB2 ARG 99 1HB ARG 99 8.597 -4.518 4.387 753 HB3 ARG 99 2HB ARG 99 10.315 -4.717 4.076 754 HG2 ARG 99 1HG ARG 99 10.157 -7.040 5.014 755 HG3 ARG 99 2HG ARG 99 8.412 -6.815 5.175 756 HD2 ARG 99 1HD ARG 99 8.851 -8.024 3.115 757 HD3 ARG 99 2HD ARG 99 8.288 -6.401 2.697 758 HE ARG 99 HE ARG 99 11.169 -6.719 2.845 759 HH11 ARG 99 1HH1 ARG 99 8.392 -6.615 0.709 760 HH12 ARG 99 2HH1 ARG 99 9.357 -6.568 -0.733 761 HH21 ARG 99 1HH2 ARG 99 12.408 -6.624 0.939 762 HH22 ARG 99 2HH2 ARG 99 11.610 -6.596 -0.606 763 H ALA 100 H ALA 100 12.116 -3.719 5.473 764 HA ALA 100 HA ALA 100 13.694 -5.885 6.566 765 HB1 ALA 100 3HB ALA 100 14.555 -3.272 5.267 766 HB2 ALA 100 1HB ALA 100 14.298 -4.806 4.433 767 HB3 ALA 100 2HB ALA 100 15.605 -4.653 5.605 768 H ALA 101 H ALA 101 13.957 -2.348 7.015 769 HA ALA 101 HA ALA 101 15.122 -2.577 9.647 770 HB1 ALA 101 3HB ALA 101 15.134 -0.111 9.606 771 HB2 ALA 101 1HB ALA 101 14.180 -0.126 8.119 772 HB3 ALA 101 2HB ALA 101 15.821 -0.772 8.120 773 H GLY 102 H GLY 102 13.696 -3.428 11.061 774 HA2 GLY 102 1HA GLY 102 11.868 -2.170 12.559 775 HA3 GLY 102 2HA GLY 102 10.881 -2.663 11.180 776 H SER 103 H SER 103 11.686 -5.018 10.456 777 HA SER 103 HA SER 103 11.643 -7.241 10.750 778 HB2 SER 103 1HB SER 103 13.823 -6.826 11.852 779 HB3 SER 103 2HB SER 103 13.014 -6.621 13.405 780 HG SER 103 HG SER 103 12.373 -8.775 13.310 Start of MODEL 10 1 H1 MET 1 1H MET 1 -41.944 -43.563 -5.760 2 H2 MET 1 2H MET 1 -42.873 -44.421 -6.880 3 H3 MET 1 3H MET 1 -43.404 -44.264 -5.284 4 HA MET 1 HA MET 1 -43.050 -42.048 -7.205 5 HB2 MET 1 1HB MET 1 -45.598 -43.422 -6.226 6 HB3 MET 1 2HB MET 1 -45.588 -41.910 -7.129 7 HG2 MET 1 1HG MET 1 -44.533 -43.056 -9.040 8 HG3 MET 1 2HG MET 1 -44.563 -44.576 -8.145 9 HE1 MET 1 3HE MET 1 -46.783 -45.972 -7.657 10 HE2 MET 1 1HE MET 1 -48.399 -45.324 -7.926 11 HE3 MET 1 2HE MET 1 -47.355 -44.598 -6.705 12 H GLY 2 H GLY 2 -42.451 -40.289 -6.091 13 HA2 GLY 2 1HA GLY 2 -44.021 -39.239 -3.936 14 HA3 GLY 2 2HA GLY 2 -42.450 -39.812 -3.380 15 H SER 3 H SER 3 -43.474 -37.080 -3.409 16 HA SER 3 HA SER 3 -42.133 -35.575 -5.459 17 HB2 SER 3 1HB SER 3 -43.313 -34.666 -2.790 18 HB3 SER 3 2HB SER 3 -42.827 -33.598 -4.108 19 HG SER 3 HG SER 3 -44.842 -35.588 -4.180 20 H SER 4 H SER 4 -39.941 -35.818 -5.515 21 HA SER 4 HA SER 4 -38.262 -36.326 -3.269 22 HB2 SER 4 1HB SER 4 -37.538 -35.424 -6.086 23 HB3 SER 4 2HB SER 4 -36.417 -36.117 -4.910 24 HG SER 4 HG SER 4 -37.564 -38.028 -4.984 25 H HIS 5 H HIS 5 -38.708 -33.428 -5.345 26 HA HIS 5 HA HIS 5 -38.273 -31.232 -5.148 27 HB2 HIS 5 1HB HIS 5 -38.477 -31.848 -2.174 28 HB3 HIS 5 2HB HIS 5 -38.300 -30.213 -2.796 29 HD1 HIS 5 HD1 HIS 5 -40.863 -32.083 -1.457 30 HD2 HIS 5 HD2 HIS 5 -40.522 -30.025 -5.052 31 HE1 HIS 5 HE1 HIS 5 -43.205 -31.562 -2.168 32 HE2 HIS 5 HE2 HIS 5 -42.979 -30.469 -4.417 33 H ASP 6 H ASP 6 -36.360 -30.671 -5.946 34 HA ASP 6 HA ASP 6 -33.870 -31.249 -4.441 35 HB2 ASP 6 1HB ASP 6 -34.028 -32.595 -6.487 36 HB3 ASP 6 2HB ASP 6 -34.346 -31.155 -7.453 37 H HIS 7 H HIS 7 -32.300 -29.732 -4.319 38 HA HIS 7 HA HIS 7 -32.435 -27.146 -5.671 39 HB2 HIS 7 1HB HIS 7 -32.741 -27.479 -2.666 40 HB3 HIS 7 2HB HIS 7 -31.916 -26.056 -3.289 41 HD1 HIS 7 HD1 HIS 7 -34.977 -26.703 -1.923 42 HD2 HIS 7 HD2 HIS 7 -33.899 -24.976 -5.543 43 HE1 HIS 7 HE1 HIS 7 -36.906 -25.254 -2.585 44 HE2 HIS 7 HE2 HIS 7 -36.157 -24.078 -4.676 45 H HIS 8 H HIS 8 -30.624 -29.250 -6.130 46 HA HIS 8 HA HIS 8 -28.241 -28.796 -4.540 47 HB2 HIS 8 1HB HIS 8 -27.087 -30.415 -6.006 48 HB3 HIS 8 2HB HIS 8 -28.555 -31.056 -5.293 49 HD1 HIS 8 HD1 HIS 8 -28.990 -29.049 -8.439 50 HD2 HIS 8 HD2 HIS 8 -28.536 -33.016 -7.325 51 HE1 HIS 8 HE1 HIS 8 -29.558 -30.393 -10.470 52 HE2 HIS 8 HE2 HIS 8 -29.472 -32.790 -9.702 53 H HIS 9 H HIS 9 -28.210 -26.482 -4.922 54 HA HIS 9 HA HIS 9 -27.068 -25.564 -7.460 55 HB2 HIS 9 1HB HIS 9 -27.352 -23.272 -6.526 56 HB3 HIS 9 2HB HIS 9 -28.859 -24.170 -6.542 57 HD1 HIS 9 HD1 HIS 9 -29.927 -24.769 -4.250 58 HD2 HIS 9 HD2 HIS 9 -26.390 -22.612 -3.933 59 HE1 HIS 9 HE1 HIS 9 -29.832 -23.969 -1.878 60 HE2 HIS 9 HE2 HIS 9 -27.717 -22.614 -1.728 61 H HIS 10 H HIS 10 -25.031 -24.700 -7.601 62 HA HIS 10 HA HIS 10 -23.174 -24.542 -5.406 63 HB2 HIS 10 1HB HIS 10 -21.615 -26.315 -6.320 64 HB3 HIS 10 2HB HIS 10 -23.108 -26.971 -5.662 65 HD1 HIS 10 HD1 HIS 10 -24.970 -27.653 -7.506 66 HD2 HIS 10 HD2 HIS 10 -21.112 -27.084 -8.931 67 HE1 HIS 10 HE1 HIS 10 -24.947 -28.657 -9.792 68 HE2 HIS 10 HE2 HIS 10 -22.631 -28.212 -10.675 69 H SER 11 H SER 11 -21.387 -23.316 -5.978 70 HA SER 11 HA SER 11 -21.022 -22.481 -8.773 71 HB2 SER 11 1HB SER 11 -21.578 -20.526 -6.498 72 HB3 SER 11 2HB SER 11 -21.143 -20.083 -8.150 73 HG SER 11 HG SER 11 -23.120 -21.480 -8.644 74 H SER 12 H SER 12 -18.994 -23.199 -8.950 75 HA SER 12 HA SER 12 -16.869 -21.964 -7.346 76 HB2 SER 12 1HB SER 12 -16.976 -24.950 -7.984 77 HB3 SER 12 2HB SER 12 -15.666 -24.116 -7.150 78 HG SER 12 HG SER 12 -17.706 -23.493 -5.744 79 H GLY 13 H GLY 13 -16.109 -20.685 -8.982 80 HA2 GLY 13 1HA GLY 13 -15.348 -21.949 -11.569 81 HA3 GLY 13 2HA GLY 13 -16.133 -20.379 -11.483 82 H ARG 14 H ARG 14 -13.209 -22.152 -10.598 83 HA ARG 14 HA ARG 14 -11.606 -19.791 -11.214 84 HB2 ARG 14 1HB ARG 14 -10.200 -19.993 -9.193 85 HB3 ARG 14 2HB ARG 14 -11.861 -19.576 -8.791 86 HG2 ARG 14 1HG ARG 14 -12.314 -21.808 -7.996 87 HG3 ARG 14 2HG ARG 14 -10.769 -22.399 -8.607 88 HD2 ARG 14 1HD ARG 14 -11.109 -20.349 -6.392 89 HD3 ARG 14 2HD ARG 14 -10.731 -22.058 -6.153 90 HE ARG 14 HE ARG 14 -8.947 -20.173 -7.597 91 HH11 ARG 14 1HH1 ARG 14 -9.324 -22.830 -5.345 92 HH12 ARG 14 2HH1 ARG 14 -7.626 -22.965 -5.041 93 HH21 ARG 14 1HH2 ARG 14 -6.733 -20.369 -7.195 94 HH22 ARG 14 2HH2 ARG 14 -6.154 -21.577 -6.096 95 H GLU 15 H GLU 15 -9.894 -20.299 -12.359 96 HA GLU 15 HA GLU 15 -8.312 -22.672 -12.034 97 HB2 GLU 15 1HB GLU 15 -10.167 -23.507 -13.545 98 HB3 GLU 15 2HB GLU 15 -9.728 -22.272 -14.722 99 HG2 GLU 15 1HG GLU 15 -7.436 -23.313 -14.854 100 HG3 GLU 15 2HG GLU 15 -8.012 -24.603 -13.799 101 H ASN 16 H ASN 16 -6.221 -22.095 -12.491 102 HA ASN 16 HA ASN 16 -4.405 -20.828 -12.981 103 HB2 ASN 16 1HB ASN 16 -4.975 -20.999 -15.337 104 HB3 ASN 16 2HB ASN 16 -6.216 -19.769 -15.201 105 HD21 ASN 16 2HD2 ASN 16 -2.771 -20.331 -15.307 106 HD22 ASN 16 1HD2 ASN 16 -2.323 -18.718 -15.731 107 H LEU 17 H LEU 17 -3.534 -18.553 -12.829 108 HA LEU 17 HA LEU 17 -3.272 -16.556 -11.848 109 HB2 LEU 17 1HB LEU 17 -5.468 -16.035 -13.143 110 HB3 LEU 17 2HB LEU 17 -6.295 -16.224 -11.613 111 HG LEU 17 HG LEU 17 -4.139 -14.141 -12.173 112 HD11 LEU 17 1HD1 LEU 17 -5.956 -12.480 -12.271 113 HD12 LEU 17 2HD1 LEU 17 -7.150 -13.768 -12.102 114 HD13 LEU 17 3HD1 LEU 17 -6.122 -13.695 -13.533 115 HD21 LEU 17 3HD2 LEU 17 -4.259 -14.647 -9.774 116 HD22 LEU 17 1HD2 LEU 17 -6.003 -14.361 -9.780 117 HD23 LEU 17 2HD2 LEU 17 -4.885 -13.032 -10.092 118 H TYR 18 H TYR 18 -2.311 -17.127 -10.010 119 HA TYR 18 HA TYR 18 -3.897 -18.057 -7.681 120 HB2 TYR 18 1HB TYR 18 -0.924 -18.431 -8.267 121 HB3 TYR 18 2HB TYR 18 -1.808 -19.125 -6.911 122 HD1 TYR 18 HD1 TYR 18 -3.915 -20.638 -7.607 123 HD2 TYR 18 HD2 TYR 18 -0.614 -19.781 -10.192 124 HE1 TYR 18 HE1 TYR 18 -4.481 -22.591 -8.970 125 HE2 TYR 18 HE2 TYR 18 -1.184 -21.748 -11.553 126 HH TYR 18 HH TYR 18 -2.374 -23.860 -11.342 127 H PHE 19 H PHE 19 -3.248 -17.226 -5.587 128 HA PHE 19 HA PHE 19 -2.798 -14.376 -5.607 129 HB2 PHE 19 1HB PHE 19 -4.340 -15.608 -4.002 130 HB3 PHE 19 2HB PHE 19 -2.914 -16.227 -3.175 131 HD1 PHE 19 HD1 PHE 19 -4.706 -13.070 -4.091 132 HD2 PHE 19 HD2 PHE 19 -1.833 -14.881 -1.492 133 HE1 PHE 19 HE1 PHE 19 -4.668 -11.038 -2.706 134 HE2 PHE 19 HE2 PHE 19 -1.806 -12.848 -0.112 135 HZ PHE 19 HZ PHE 19 -3.219 -10.924 -0.715 136 H GLN 20 H GLN 20 -0.819 -17.193 -5.059 137 HA GLN 20 HA GLN 20 1.496 -15.760 -4.030 138 HB2 GLN 20 1HB GLN 20 1.291 -18.616 -5.092 139 HB3 GLN 20 2HB GLN 20 2.631 -17.943 -4.167 140 HG2 GLN 20 1HG GLN 20 1.121 -17.631 -2.226 141 HG3 GLN 20 2HG GLN 20 -0.194 -18.356 -3.151 142 HE21 GLN 20 2HE2 GLN 20 0.913 -19.253 -0.641 143 HE22 GLN 20 1HE2 GLN 20 1.481 -20.867 -0.892 144 H GLY 21 H GLY 21 0.105 -15.907 -7.032 145 HA2 GLY 21 1HA GLY 21 0.783 -15.227 -9.113 146 HA3 GLY 21 2HA GLY 21 2.422 -15.026 -8.503 147 H HIS 22 H HIS 22 3.889 -16.559 -8.941 148 HA HIS 22 HA HIS 22 3.044 -19.174 -10.094 149 HB2 HIS 22 1HB HIS 22 5.517 -17.562 -10.938 150 HB3 HIS 22 2HB HIS 22 4.948 -19.073 -11.644 151 HD1 HIS 22 HD1 HIS 22 2.939 -18.922 -13.290 152 HD2 HIS 22 HD2 HIS 22 4.172 -15.254 -11.790 153 HE1 HIS 22 HE1 HIS 22 1.787 -17.200 -14.697 154 HE2 HIS 22 HE2 HIS 22 2.671 -14.996 -13.865 155 H MET 23 H MET 23 5.975 -17.517 -8.921 156 HA MET 23 HA MET 23 6.622 -19.763 -7.127 157 HB2 MET 23 1HB MET 23 8.317 -17.439 -8.144 158 HB3 MET 23 2HB MET 23 8.862 -18.572 -6.912 159 HG2 MET 23 1HG MET 23 9.795 -19.215 -9.046 160 HG3 MET 23 2HG MET 23 8.609 -20.428 -8.555 161 HE1 MET 23 3HE MET 23 8.113 -20.501 -12.435 162 HE2 MET 23 1HE MET 23 8.349 -21.468 -10.981 163 HE3 MET 23 2HE MET 23 9.629 -20.391 -11.543 164 HA PRO 24 HA PRO 24 4.845 -17.056 -3.847 165 HB2 PRO 24 1HB PRO 24 5.463 -18.825 -1.764 166 HB3 PRO 24 2HB PRO 24 3.999 -18.901 -2.749 167 HG2 PRO 24 1HG PRO 24 6.556 -20.463 -3.041 168 HG3 PRO 24 2HG PRO 24 4.875 -21.027 -3.161 169 HD2 PRO 24 1HD PRO 24 6.342 -20.568 -5.364 170 HD3 PRO 24 2HD PRO 24 4.609 -20.166 -5.329 171 H ASN 25 H ASN 25 5.720 -16.454 -1.589 172 HA ASN 25 HA ASN 25 7.100 -15.197 -0.359 173 HB2 ASN 25 1HB ASN 25 8.677 -17.124 -0.306 174 HB3 ASN 25 2HB ASN 25 9.427 -16.550 -1.791 175 HD21 ASN 25 2HD2 ASN 25 11.451 -16.249 -0.889 176 HD22 ASN 25 1HD2 ASN 25 11.804 -15.021 0.274 177 H ASP 26 H ASP 26 6.332 -13.347 -1.222 178 HA ASP 26 HA ASP 26 8.087 -11.628 -2.681 179 HB2 ASP 26 1HB ASP 26 7.259 -12.722 -4.686 180 HB3 ASP 26 2HB ASP 26 5.605 -12.715 -4.089 181 H MET 27 H MET 27 7.533 -9.492 -2.367 182 HA MET 27 HA MET 27 5.119 -8.882 -0.765 183 HB2 MET 27 1HB MET 27 7.442 -8.303 0.140 184 HB3 MET 27 2HB MET 27 7.586 -7.126 -1.158 185 HG2 MET 27 1HG MET 27 5.436 -7.080 0.979 186 HG3 MET 27 2HG MET 27 6.930 -6.156 1.046 187 HE1 MET 27 3HE MET 27 6.448 -3.474 -1.718 188 HE2 MET 27 1HE MET 27 7.308 -5.005 -1.911 189 HE3 MET 27 2HE MET 27 7.464 -4.086 -0.412 190 H GLU 28 H GLU 28 6.828 -8.136 -3.776 191 HA GLU 28 HA GLU 28 5.718 -5.568 -4.228 192 HB2 GLU 28 1HB GLU 28 7.875 -6.336 -5.178 193 HB3 GLU 28 2HB GLU 28 7.016 -7.473 -6.206 194 HG2 GLU 28 1HG GLU 28 5.939 -5.614 -7.403 195 HG3 GLU 28 2HG GLU 28 6.738 -4.449 -6.349 196 H ASP 29 H ASP 29 5.133 -8.565 -6.103 197 HA ASP 29 HA ASP 29 2.884 -7.650 -7.551 198 HB2 ASP 29 1HB ASP 29 4.161 -9.634 -8.262 199 HB3 ASP 29 2HB ASP 29 3.719 -10.496 -6.788 200 H HIS 30 H HIS 30 3.169 -9.186 -4.387 201 HA HIS 30 HA HIS 30 0.399 -9.685 -3.923 202 HB2 HIS 30 1HB HIS 30 2.787 -9.506 -2.054 203 HB3 HIS 30 2HB HIS 30 1.161 -9.837 -1.456 204 HD1 HIS 30 HD1 HIS 30 3.816 -11.351 -3.654 205 HD2 HIS 30 HD2 HIS 30 0.273 -12.420 -1.805 206 HE1 HIS 30 HE1 HIS 30 3.615 -13.814 -3.993 207 HE2 HIS 30 HE2 HIS 30 1.371 -14.401 -3.021 208 H LEU 31 H LEU 31 2.473 -6.890 -3.292 209 HA LEU 31 HA LEU 31 0.552 -5.403 -1.760 210 HB2 LEU 31 1HB LEU 31 2.988 -4.916 -1.620 211 HB3 LEU 31 2HB LEU 31 2.990 -4.422 -3.302 212 HG LEU 31 HG LEU 31 1.457 -2.514 -2.722 213 HD11 LEU 31 1HD1 LEU 31 1.097 -1.874 -0.367 214 HD12 LEU 31 2HD1 LEU 31 1.873 -3.367 0.165 215 HD13 LEU 31 3HD1 LEU 31 0.357 -3.433 -0.733 216 HD21 LEU 31 3HD2 LEU 31 4.070 -2.578 -1.167 217 HD22 LEU 31 1HD2 LEU 31 3.152 -1.121 -1.564 218 HD23 LEU 31 2HD2 LEU 31 3.858 -2.092 -2.849 219 H LEU 32 H LEU 32 1.466 -5.637 -5.147 220 HA LEU 32 HA LEU 32 -0.133 -3.611 -6.264 221 HB2 LEU 32 1HB LEU 32 1.721 -4.896 -7.400 222 HB3 LEU 32 2HB LEU 32 0.646 -6.282 -7.506 223 HG LEU 32 HG LEU 32 -0.913 -4.861 -8.930 224 HD11 LEU 32 1HD1 LEU 32 -0.185 -2.637 -8.239 225 HD12 LEU 32 2HD1 LEU 32 -0.018 -2.817 -9.982 226 HD13 LEU 32 3HD1 LEU 32 1.411 -2.903 -8.949 227 HD21 LEU 32 3HD2 LEU 32 1.888 -5.303 -10.036 228 HD22 LEU 32 1HD2 LEU 32 0.421 -5.076 -10.993 229 HD23 LEU 32 2HD2 LEU 32 0.592 -6.499 -9.971 230 H THR 33 H THR 33 -0.835 -6.977 -5.429 231 HA THR 33 HA THR 33 -3.520 -7.105 -6.401 232 HB THR 33 HB THR 33 -2.330 -8.799 -4.138 233 HG1 THR 33 HG1 THR 33 -0.950 -9.304 -5.693 234 HG21 THR 33 3HG2 THR 33 -4.519 -9.424 -6.178 235 HG22 THR 33 1HG2 THR 33 -4.784 -9.072 -4.470 236 HG23 THR 33 2HG2 THR 33 -3.912 -10.528 -4.941 237 H VAL 34 H VAL 34 -2.051 -6.317 -3.258 238 HA VAL 34 HA VAL 34 -4.374 -5.990 -1.699 239 HB VAL 34 HB VAL 34 -1.545 -4.871 -1.478 240 HG11 VAL 34 1HG1 VAL 34 -2.043 -4.013 0.793 241 HG12 VAL 34 2HG1 VAL 34 -3.759 -4.341 0.528 242 HG13 VAL 34 3HG1 VAL 34 -2.930 -3.142 -0.461 243 HG21 VAL 34 3HG2 VAL 34 -1.865 -7.273 -0.985 244 HG22 VAL 34 1HG2 VAL 34 -3.051 -6.875 0.261 245 HG23 VAL 34 2HG2 VAL 34 -1.363 -6.395 0.457 246 H LEU 35 H LEU 35 -2.649 -3.751 -3.824 247 HA LEU 35 HA LEU 35 -4.239 -1.433 -3.282 248 HB2 LEU 35 1HB LEU 35 -2.426 -2.088 -5.631 249 HB3 LEU 35 2HB LEU 35 -3.142 -0.510 -5.333 250 HG LEU 35 HG LEU 35 -1.191 -1.906 -3.461 251 HD11 LEU 35 1HD1 LEU 35 0.463 -0.248 -4.175 252 HD12 LEU 35 2HD1 LEU 35 -0.682 0.415 -5.341 253 HD13 LEU 35 3HD1 LEU 35 -0.077 -1.231 -5.536 254 HD21 LEU 35 3HD2 LEU 35 -2.772 -0.449 -2.255 255 HD22 LEU 35 1HD2 LEU 35 -2.341 0.904 -3.309 256 HD23 LEU 35 2HD2 LEU 35 -1.141 0.206 -2.222 257 H SER 36 H SER 36 -4.381 -4.041 -5.648 258 HA SER 36 HA SER 36 -6.374 -3.022 -7.349 259 HB2 SER 36 1HB SER 36 -5.042 -5.035 -7.885 260 HB3 SER 36 2HB SER 36 -5.833 -5.925 -6.586 261 HG SER 36 HG SER 36 -7.502 -4.745 -8.474 262 H VAL 37 H VAL 37 -6.576 -4.749 -4.289 263 HA VAL 37 HA VAL 37 -9.461 -4.905 -4.221 264 HB VAL 37 HB VAL 37 -7.409 -5.412 -2.006 265 HG11 VAL 37 1HG1 VAL 37 -9.203 -6.720 -0.895 266 HG12 VAL 37 2HG1 VAL 37 -10.340 -6.232 -2.156 267 HG13 VAL 37 3HG1 VAL 37 -9.649 -5.023 -1.075 268 HG21 VAL 37 3HG2 VAL 37 -7.658 -7.814 -2.563 269 HG22 VAL 37 1HG2 VAL 37 -7.045 -6.901 -3.941 270 HG23 VAL 37 2HG2 VAL 37 -8.737 -7.405 -3.900 271 H ALA 38 H ALA 38 -6.960 -2.767 -2.903 272 HA ALA 38 HA ALA 38 -8.596 -1.376 -1.008 273 HB1 ALA 38 3HB ALA 38 -5.923 -0.573 -2.200 274 HB2 ALA 38 1HB ALA 38 -6.151 -1.536 -0.738 275 HB3 ALA 38 2HB ALA 38 -6.672 0.151 -0.777 276 H SER 39 H SER 39 -7.689 -0.788 -4.368 277 HA SER 39 HA SER 39 -8.904 1.872 -4.479 278 HB2 SER 39 1HB SER 39 -7.629 0.242 -6.726 279 HB3 SER 39 2HB SER 39 -8.009 1.967 -6.760 280 HG SER 39 HG SER 39 -6.403 1.168 -4.672 281 H GLY 40 H GLY 40 -9.436 -1.419 -5.680 282 HA2 GLY 40 1HA GLY 40 -11.643 -2.307 -6.062 283 HA3 GLY 40 2HA GLY 40 -12.170 -0.723 -6.617 284 H VAL 41 H VAL 41 -9.733 -0.281 -8.197 285 HA VAL 41 HA VAL 41 -10.510 -1.521 -10.658 286 HB VAL 41 HB VAL 41 -8.679 -0.226 -11.665 287 HG11 VAL 41 1HG1 VAL 41 -9.402 2.059 -11.094 288 HG12 VAL 41 2HG1 VAL 41 -10.199 1.450 -9.641 289 HG13 VAL 41 3HG1 VAL 41 -10.779 0.964 -11.235 290 HG21 VAL 41 3HG2 VAL 41 -6.934 -0.487 -9.953 291 HG22 VAL 41 1HG2 VAL 41 -7.844 0.541 -8.842 292 HG23 VAL 41 2HG2 VAL 41 -7.176 1.218 -10.330 293 HA PRO 42 HA PRO 42 -7.953 -5.227 -10.415 294 HB2 PRO 42 1HB PRO 42 -7.441 -5.657 -13.120 295 HB3 PRO 42 2HB PRO 42 -8.942 -6.095 -12.300 296 HG2 PRO 42 1HG PRO 42 -8.338 -3.652 -13.952 297 HG3 PRO 42 2HG PRO 42 -9.785 -4.685 -13.955 298 HD2 PRO 42 1HD PRO 42 -9.769 -2.316 -12.669 299 HD3 PRO 42 2HD PRO 42 -10.639 -3.715 -12.001 300 H LYS 43 H LYS 43 -5.806 -6.123 -11.165 301 HA LYS 43 HA LYS 43 -3.766 -4.383 -10.254 302 HB2 LYS 43 1HB LYS 43 -3.525 -7.085 -11.652 303 HB3 LYS 43 2HB LYS 43 -2.229 -6.282 -10.764 304 HG2 LYS 43 1HG LYS 43 -3.520 -6.474 -8.668 305 HG3 LYS 43 2HG LYS 43 -4.851 -7.224 -9.547 306 HD2 LYS 43 1HD LYS 43 -3.534 -8.914 -8.349 307 HD3 LYS 43 2HD LYS 43 -3.420 -9.160 -10.093 308 HE2 LYS 43 1HE LYS 43 -1.196 -8.151 -10.125 309 HE3 LYS 43 2HE LYS 43 -1.324 -7.751 -8.409 310 HZ1 LYS 43 3HZ LYS 43 -0.016 -9.745 -8.811 311 HZ2 LYS 43 1HZ LYS 43 -1.346 -10.495 -9.519 312 HZ3 LYS 43 2HZ LYS 43 -1.384 -10.080 -7.886 313 H GLU 44 H GLU 44 -4.907 -5.106 -13.452 314 HA GLU 44 HA GLU 44 -2.586 -4.449 -14.985 315 HB2 GLU 44 1HB GLU 44 -5.535 -4.539 -15.749 316 HB3 GLU 44 2HB GLU 44 -4.236 -4.307 -16.910 317 HG2 GLU 44 1HG GLU 44 -5.017 -6.599 -16.970 318 HG3 GLU 44 2HG GLU 44 -3.359 -6.552 -16.377 319 H GLU 45 H GLU 45 -5.151 -2.590 -13.552 320 HA GLU 45 HA GLU 45 -4.773 -0.174 -15.085 321 HB2 GLU 45 1HB GLU 45 -6.150 -0.415 -12.384 322 HB3 GLU 45 2HB GLU 45 -6.413 0.815 -13.616 323 HG2 GLU 45 1HG GLU 45 -7.189 -2.103 -13.794 324 HG3 GLU 45 2HG GLU 45 -8.277 -0.748 -13.505 325 H ILE 46 H ILE 46 -3.267 -1.633 -12.360 326 HA ILE 46 HA ILE 46 -2.103 0.910 -11.385 327 HB ILE 46 HB ILE 46 -2.233 -1.752 -9.878 328 HG12 ILE 46 1HG1 ILE 46 -4.177 0.610 -9.676 329 HG13 ILE 46 2HG1 ILE 46 -4.551 -0.962 -10.370 330 HG21 ILE 46 1HG2 ILE 46 -1.794 -0.372 -7.855 331 HG22 ILE 46 2HG2 ILE 46 -1.722 1.084 -8.851 332 HG23 ILE 46 3HG2 ILE 46 -0.504 -0.177 -9.044 333 HD11 ILE 46 3HD1 ILE 46 -5.488 -0.759 -8.177 334 HD12 ILE 46 1HD1 ILE 46 -3.911 -0.383 -7.488 335 HD13 ILE 46 2HD1 ILE 46 -4.222 -1.986 -8.162 336 H SER 47 H SER 47 0.060 1.096 -11.200 337 HA SER 47 HA SER 47 1.939 -1.095 -11.373 338 HB2 SER 47 1HB SER 47 1.595 -0.540 -13.790 339 HB3 SER 47 2HB SER 47 1.994 1.149 -13.463 340 HG SER 47 HG SER 47 3.731 -0.334 -14.263 341 H ARG 48 H ARG 48 4.221 -0.126 -11.122 342 HA ARG 48 HA ARG 48 4.313 1.529 -8.825 343 HB2 ARG 48 1HB ARG 48 6.716 1.416 -8.993 344 HB3 ARG 48 2HB ARG 48 6.081 -0.152 -9.468 345 HG2 ARG 48 1HG ARG 48 6.467 0.355 -11.822 346 HG3 ARG 48 2HG ARG 48 6.996 1.990 -11.418 347 HD2 ARG 48 1HD ARG 48 8.843 0.868 -10.016 348 HD3 ARG 48 2HD ARG 48 8.388 -0.632 -10.824 349 HE ARG 48 HE ARG 48 9.005 0.377 -12.933 350 HH11 ARG 48 1HH1 ARG 48 10.190 2.031 -10.066 351 HH12 ARG 48 2HH1 ARG 48 11.451 2.865 -10.920 352 HH21 ARG 48 1HH2 ARG 48 10.672 1.484 -14.033 353 HH22 ARG 48 2HH2 ARG 48 11.737 2.540 -13.160 354 H ASP 49 H ASP 49 4.441 2.223 -12.253 355 HA ASP 49 HA ASP 49 5.316 5.000 -11.853 356 HB2 ASP 49 1HB ASP 49 6.375 3.512 -13.615 357 HB3 ASP 49 2HB ASP 49 4.831 3.492 -14.461 358 H SER 50 H SER 50 2.387 3.392 -11.826 359 HA SER 50 HA SER 50 0.732 5.128 -13.396 360 HB2 SER 50 1HB SER 50 0.010 3.219 -11.132 361 HB3 SER 50 2HB SER 50 -1.155 4.008 -12.201 362 HG SER 50 HG SER 50 -0.002 2.959 -13.956 363 H ARG 51 H ARG 51 2.356 5.706 -10.501 364 HA ARG 51 HA ARG 51 2.477 7.430 -9.073 365 HB2 ARG 51 1HB ARG 51 0.408 8.718 -10.895 366 HB3 ARG 51 2HB ARG 51 1.222 9.567 -9.580 367 HG2 ARG 51 1HG ARG 51 3.394 9.253 -10.680 368 HG3 ARG 51 2HG ARG 51 2.632 8.316 -11.967 369 HD2 ARG 51 1HD ARG 51 3.115 10.668 -12.638 370 HD3 ARG 51 2HD ARG 51 1.397 10.271 -12.723 371 HE ARG 51 HE ARG 51 0.968 11.631 -10.866 372 HH11 ARG 51 1HH1 ARG 51 4.366 11.756 -11.731 373 HH12 ARG 51 2HH1 ARG 51 4.703 13.106 -10.699 374 HH21 ARG 51 1HH2 ARG 51 1.403 13.421 -9.554 375 HH22 ARG 51 2HH2 ARG 51 3.014 14.057 -9.462 376 H MET 52 H MET 52 1.070 8.883 -7.549 377 HA MET 52 HA MET 52 -0.899 7.043 -6.313 378 HB2 MET 52 1HB MET 52 1.350 7.277 -5.159 379 HB3 MET 52 2HB MET 52 0.985 8.976 -4.877 380 HG2 MET 52 1HG MET 52 0.559 7.540 -2.904 381 HG3 MET 52 2HG MET 52 -0.893 8.367 -3.468 382 HE1 MET 52 3HE MET 52 0.887 5.150 -4.971 383 HE2 MET 52 1HE MET 52 -0.042 3.885 -4.173 384 HE3 MET 52 2HE MET 52 1.007 4.939 -3.223 385 H GLU 53 H GLU 53 -2.701 7.996 -7.276 386 HA GLU 53 HA GLU 53 -3.426 10.757 -6.453 387 HB2 GLU 53 1HB GLU 53 -3.469 10.397 -8.894 388 HB3 GLU 53 2HB GLU 53 -4.493 8.984 -8.698 389 HG2 GLU 53 1HG GLU 53 -5.807 10.841 -9.524 390 HG3 GLU 53 2HG GLU 53 -6.335 10.425 -7.896 391 H ASP 54 H ASP 54 -5.196 7.742 -7.190 392 HA ASP 54 HA ASP 54 -6.882 8.123 -4.763 393 HB2 ASP 54 1HB ASP 54 -8.712 7.050 -6.016 394 HB3 ASP 54 2HB ASP 54 -8.096 8.424 -6.928 395 H LEU 55 H LEU 55 -4.638 6.095 -6.345 396 HA LEU 55 HA LEU 55 -5.584 3.517 -5.825 397 HB2 LEU 55 1HB LEU 55 -2.721 4.460 -6.213 398 HB3 LEU 55 2HB LEU 55 -3.255 2.785 -6.312 399 HG LEU 55 HG LEU 55 -4.182 5.011 -8.187 400 HD11 LEU 55 1HD1 LEU 55 -1.810 4.480 -8.571 401 HD12 LEU 55 2HD1 LEU 55 -2.805 3.947 -9.921 402 HD13 LEU 55 3HD1 LEU 55 -2.210 2.770 -8.748 403 HD21 LEU 55 3HD2 LEU 55 -5.901 3.266 -7.924 404 HD22 LEU 55 1HD2 LEU 55 -4.714 2.013 -8.301 405 HD23 LEU 55 2HD2 LEU 55 -5.187 3.188 -9.532 406 H ALA 56 H ALA 56 -3.627 5.662 -3.835 407 HA ALA 56 HA ALA 56 -4.389 4.278 -1.436 408 HB1 ALA 56 3HB ALA 56 -2.502 2.850 -2.127 409 HB2 ALA 56 1HB ALA 56 -2.131 3.720 -0.637 410 HB3 ALA 56 2HB ALA 56 -1.444 4.259 -2.166 411 H PHE 57 H PHE 57 -4.102 7.088 -2.874 412 HA PHE 57 HA PHE 57 -2.845 8.574 -0.648 413 HB2 PHE 57 1HB PHE 57 -2.051 9.217 -2.891 414 HB3 PHE 57 2HB PHE 57 -3.691 9.542 -3.413 415 HD1 PHE 57 HD1 PHE 57 -0.913 10.757 -1.268 416 HD2 PHE 57 HD2 PHE 57 -4.782 11.669 -2.863 417 HE1 PHE 57 HE1 PHE 57 -0.682 13.089 -0.523 418 HE2 PHE 57 HE2 PHE 57 -4.536 13.995 -2.107 419 HZ PHE 57 HZ PHE 57 -2.485 14.710 -0.942 420 H ASP 58 H ASP 58 -5.935 8.090 -2.283 421 HA ASP 58 HA ASP 58 -7.481 10.101 -1.115 422 HB2 ASP 58 1HB ASP 58 -8.395 8.728 -2.900 423 HB3 ASP 58 2HB ASP 58 -8.233 7.262 -1.934 424 H SER 59 H SER 59 -8.445 10.340 0.881 425 HA SER 59 HA SER 59 -7.035 9.482 3.097 426 HB2 SER 59 1HB SER 59 -8.401 11.549 3.014 427 HB3 SER 59 2HB SER 59 -9.875 10.585 3.047 428 HG SER 59 HG SER 59 -8.286 9.876 5.102 429 H LEU 60 H LEU 60 -10.051 8.136 1.799 430 HA LEU 60 HA LEU 60 -10.587 6.322 3.933 431 HB2 LEU 60 1HB LEU 60 -12.296 7.040 2.283 432 HB3 LEU 60 2HB LEU 60 -11.436 6.188 1.006 433 HG LEU 60 HG LEU 60 -11.855 4.020 2.263 434 HD11 LEU 60 1HD1 LEU 60 -13.574 3.980 4.031 435 HD12 LEU 60 2HD1 LEU 60 -13.643 5.742 4.013 436 HD13 LEU 60 3HD1 LEU 60 -12.164 4.919 4.516 437 HD21 LEU 60 3HD2 LEU 60 -13.285 4.666 0.362 438 HD22 LEU 60 1HD2 LEU 60 -14.358 5.546 1.454 439 HD23 LEU 60 2HD2 LEU 60 -14.204 3.793 1.584 440 H VAL 61 H VAL 61 -8.886 6.035 0.837 441 HA VAL 61 HA VAL 61 -8.365 3.227 1.009 442 HB VAL 61 HB VAL 61 -6.805 5.234 -0.708 443 HG11 VAL 61 1HG1 VAL 61 -5.810 2.973 -0.601 444 HG12 VAL 61 2HG1 VAL 61 -6.462 3.278 -2.210 445 HG13 VAL 61 3HG1 VAL 61 -7.347 2.245 -1.084 446 HG21 VAL 61 3HG2 VAL 61 -9.226 5.541 -1.107 447 HG22 VAL 61 1HG2 VAL 61 -9.418 3.809 -1.404 448 HG23 VAL 61 2HG2 VAL 61 -8.454 4.797 -2.507 449 H VAL 62 H VAL 62 -6.668 6.098 2.171 450 HA VAL 62 HA VAL 62 -4.148 4.896 2.780 451 HB VAL 62 HB VAL 62 -5.513 7.335 4.043 452 HG11 VAL 62 1HG1 VAL 62 -3.848 6.465 5.626 453 HG12 VAL 62 2HG1 VAL 62 -3.276 7.979 4.932 454 HG13 VAL 62 3HG1 VAL 62 -2.612 6.443 4.367 455 HG21 VAL 62 3HG2 VAL 62 -5.006 7.611 1.652 456 HG22 VAL 62 1HG2 VAL 62 -3.319 7.174 1.934 457 HG23 VAL 62 2HG2 VAL 62 -3.979 8.659 2.627 458 H SER 63 H SER 63 -7.064 5.537 4.738 459 HA SER 63 HA SER 63 -6.181 4.390 7.170 460 HB2 SER 63 1HB SER 63 -9.035 4.738 6.140 461 HB3 SER 63 2HB SER 63 -8.562 4.497 7.827 462 HG SER 63 HG SER 63 -7.191 6.476 7.382 463 H GLU 64 H GLU 64 -7.972 3.068 4.418 464 HA GLU 64 HA GLU 64 -8.414 0.437 5.402 465 HB2 GLU 64 1HB GLU 64 -9.759 1.292 3.558 466 HB3 GLU 64 2HB GLU 64 -8.335 1.599 2.578 467 HG2 GLU 64 1HG GLU 64 -9.573 -0.354 1.769 468 HG3 GLU 64 2HG GLU 64 -7.959 -0.804 2.305 469 H LEU 65 H LEU 65 -5.764 1.909 3.543 470 HA LEU 65 HA LEU 65 -4.484 -0.524 2.826 471 HB2 LEU 65 1HB LEU 65 -4.120 1.640 1.596 472 HB3 LEU 65 2HB LEU 65 -3.213 2.237 2.982 473 HG LEU 65 HG LEU 65 -1.579 0.332 2.659 474 HD11 LEU 65 1HD1 LEU 65 -1.553 -0.902 0.521 475 HD12 LEU 65 2HD1 LEU 65 -3.089 -0.162 0.066 476 HD13 LEU 65 3HD1 LEU 65 -3.009 -1.252 1.450 477 HD21 LEU 65 3HD2 LEU 65 -1.074 2.583 1.790 478 HD22 LEU 65 1HD2 LEU 65 -1.851 2.169 0.262 479 HD23 LEU 65 2HD2 LEU 65 -0.389 1.326 0.767 480 H SER 66 H SER 66 -3.825 1.906 5.352 481 HA SER 66 HA SER 66 -1.646 0.556 6.559 482 HB2 SER 66 1HB SER 66 -2.204 2.977 6.883 483 HB3 SER 66 2HB SER 66 -3.586 2.503 7.866 484 HG SER 66 HG SER 66 -1.719 3.027 9.115 485 H LEU 67 H LEU 67 -5.138 0.311 6.992 486 HA LEU 67 HA LEU 67 -5.261 -1.306 9.313 487 HB2 LEU 67 1HB LEU 67 -7.180 -0.081 8.346 488 HB3 LEU 67 2HB LEU 67 -7.186 -1.121 6.942 489 HG LEU 67 HG LEU 67 -7.678 -2.278 9.707 490 HD11 LEU 67 1HD1 LEU 67 -9.825 -1.065 7.951 491 HD12 LEU 67 2HD1 LEU 67 -9.245 -0.411 9.484 492 HD13 LEU 67 3HD1 LEU 67 -10.086 -1.956 9.454 493 HD21 LEU 67 3HD2 LEU 67 -9.025 -3.969 8.482 494 HD22 LEU 67 1HD2 LEU 67 -7.350 -3.935 7.938 495 HD23 LEU 67 2HD2 LEU 67 -8.606 -3.185 6.953 496 H LYS 68 H LYS 68 -5.230 -2.178 5.836 497 HA LYS 68 HA LYS 68 -5.431 -4.989 6.389 498 HB2 LYS 68 1HB LYS 68 -5.395 -5.329 3.983 499 HB3 LYS 68 2HB LYS 68 -6.492 -4.029 4.406 500 HG2 LYS 68 1HG LYS 68 -4.410 -2.498 3.818 501 HG3 LYS 68 2HG LYS 68 -3.906 -3.908 2.894 502 HD2 LYS 68 1HD LYS 68 -6.457 -2.290 2.543 503 HD3 LYS 68 2HD LYS 68 -5.097 -2.376 1.429 504 HE2 LYS 68 1HE LYS 68 -6.743 -3.728 0.427 505 HE3 LYS 68 2HE LYS 68 -5.689 -4.898 1.218 506 HZ1 LYS 68 3HZ LYS 68 -8.185 -3.862 2.440 507 HZ2 LYS 68 1HZ LYS 68 -7.259 -5.182 2.949 508 HZ3 LYS 68 2HZ LYS 68 -8.127 -5.266 1.503 509 H LEU 69 H LEU 69 -2.775 -2.820 5.352 510 HA LEU 69 HA LEU 69 -0.757 -4.784 5.088 511 HB2 LEU 69 1HB LEU 69 -0.456 -1.865 5.917 512 HB3 LEU 69 2HB LEU 69 0.877 -2.919 5.481 513 HG LEU 69 HG LEU 69 -1.292 -1.848 3.646 514 HD11 LEU 69 1HD1 LEU 69 1.717 -1.430 3.606 515 HD12 LEU 69 2HD1 LEU 69 0.506 -0.255 4.121 516 HD13 LEU 69 3HD1 LEU 69 0.562 -0.776 2.440 517 HD21 LEU 69 3HD2 LEU 69 -0.251 -3.071 1.793 518 HD22 LEU 69 1HD2 LEU 69 -0.893 -4.173 3.008 519 HD23 LEU 69 2HD2 LEU 69 0.844 -3.873 2.921 520 H ARG 70 H ARG 70 -2.122 -3.189 7.892 521 HA ARG 70 HA ARG 70 -0.233 -3.705 9.879 522 HB2 ARG 70 1HB ARG 70 -2.205 -2.250 10.167 523 HB3 ARG 70 2HB ARG 70 -3.270 -3.641 10.074 524 HG2 ARG 70 1HG ARG 70 -2.517 -4.452 12.220 525 HG3 ARG 70 2HG ARG 70 -1.232 -3.241 12.284 526 HD2 ARG 70 1HD ARG 70 -3.099 -2.574 13.722 527 HD3 ARG 70 2HD ARG 70 -2.935 -1.443 12.378 528 HE ARG 70 HE ARG 70 -4.891 -3.636 12.217 529 HH11 ARG 70 1HH1 ARG 70 -4.302 -0.181 12.328 530 HH12 ARG 70 2HH1 ARG 70 -5.964 0.221 12.051 531 HH21 ARG 70 1HH2 ARG 70 -7.052 -3.082 11.859 532 HH22 ARG 70 2HH2 ARG 70 -7.521 -1.410 11.789 533 H LYS 71 H LYS 71 -2.594 -5.857 8.427 534 HA LYS 71 HA LYS 71 -1.897 -8.093 10.222 535 HB2 LYS 71 1HB LYS 71 -3.999 -7.898 8.027 536 HB3 LYS 71 2HB LYS 71 -3.759 -9.292 9.074 537 HG2 LYS 71 1HG LYS 71 -4.476 -6.555 10.162 538 HG3 LYS 71 2HG LYS 71 -5.693 -7.707 9.634 539 HD2 LYS 71 1HD LYS 71 -5.707 -8.407 11.807 540 HD3 LYS 71 2HD LYS 71 -4.230 -9.268 11.397 541 HE2 LYS 71 1HE LYS 71 -4.204 -6.443 12.506 542 HE3 LYS 71 2HE LYS 71 -4.216 -7.858 13.552 543 HZ1 LYS 71 3HZ LYS 71 -2.125 -7.115 11.595 544 HZ2 LYS 71 1HZ LYS 71 -2.156 -8.577 12.436 545 HZ3 LYS 71 2HZ LYS 71 -1.997 -7.128 13.274 546 H GLU 72 H GLU 72 -1.962 -7.286 6.765 547 HA GLU 72 HA GLU 72 -1.150 -9.762 5.743 548 HB2 GLU 72 1HB GLU 72 -0.917 -7.005 4.472 549 HB3 GLU 72 2HB GLU 72 -0.776 -8.527 3.599 550 HG2 GLU 72 1HG GLU 72 -3.255 -7.473 4.989 551 HG3 GLU 72 2HG GLU 72 -2.971 -7.510 3.251 552 H PHE 73 H PHE 73 0.761 -6.774 6.233 553 HA PHE 73 HA PHE 73 3.284 -8.316 5.864 554 HB2 PHE 73 1HB PHE 73 2.702 -5.440 5.031 555 HB3 PHE 73 2HB PHE 73 4.262 -6.242 4.876 556 HD1 PHE 73 HD1 PHE 73 4.469 -8.227 3.280 557 HD2 PHE 73 HD2 PHE 73 0.995 -5.742 3.350 558 HE1 PHE 73 HE1 PHE 73 3.822 -9.053 1.057 559 HE2 PHE 73 HE2 PHE 73 0.361 -6.566 1.121 560 HZ PHE 73 HZ PHE 73 1.777 -8.221 -0.030 561 H GLY 74 H GLY 74 1.462 -6.673 8.112 562 HA2 GLY 74 1HA GLY 74 1.863 -6.012 10.274 563 HA3 GLY 74 2HA GLY 74 3.538 -6.501 10.084 564 H VAL 75 H VAL 75 2.240 -4.199 7.827 565 HA VAL 75 HA VAL 75 4.074 -2.123 8.801 566 HB VAL 75 HB VAL 75 2.385 -2.202 6.242 567 HG11 VAL 75 1HG1 VAL 75 3.010 0.093 6.835 568 HG12 VAL 75 2HG1 VAL 75 3.887 -0.431 5.400 569 HG13 VAL 75 3HG1 VAL 75 4.708 -0.372 6.963 570 HG21 VAL 75 3HG2 VAL 75 5.321 -2.920 6.610 571 HG22 VAL 75 1HG2 VAL 75 4.460 -2.851 5.070 572 HG23 VAL 75 2HG2 VAL 75 4.007 -4.049 6.280 573 H THR 76 H THR 76 3.339 -0.516 10.099 574 HA THR 76 HA THR 76 0.535 0.386 10.084 575 HB THR 76 HB THR 76 1.915 -0.759 12.570 576 HG1 THR 76 HG1 THR 76 0.171 -1.816 10.678 577 HG21 THR 76 3HG2 THR 76 -0.253 -0.472 13.715 578 HG22 THR 76 1HG2 THR 76 -0.943 0.258 12.263 579 HG23 THR 76 2HG2 THR 76 0.340 1.085 13.143 580 H GLY 77 H GLY 77 0.229 2.447 11.052 581 HA2 GLY 77 1HA GLY 77 0.725 4.501 11.945 582 HA3 GLY 77 2HA GLY 77 2.256 3.859 12.522 583 H VAL 78 H VAL 78 1.611 3.432 9.202 584 HA VAL 78 HA VAL 78 3.709 5.352 8.429 585 HB VAL 78 HB VAL 78 3.809 4.043 6.305 586 HG11 VAL 78 1HG1 VAL 78 4.049 2.286 8.783 587 HG12 VAL 78 2HG1 VAL 78 5.289 3.370 8.152 588 HG13 VAL 78 3HG1 VAL 78 4.795 1.962 7.214 589 HG21 VAL 78 3HG2 VAL 78 1.454 3.298 6.159 590 HG22 VAL 78 1HG2 VAL 78 1.685 2.237 7.553 591 HG23 VAL 78 2HG2 VAL 78 2.550 1.926 6.047 592 H ASP 79 H ASP 79 0.581 5.652 8.852 593 HA ASP 79 HA ASP 79 -0.789 6.105 6.488 594 HB2 ASP 79 1HB ASP 79 -1.164 7.591 9.119 595 HB3 ASP 79 2HB ASP 79 -2.368 7.438 7.847 596 H ASP 80 H ASP 80 1.090 8.331 8.420 597 HA ASP 80 HA ASP 80 0.603 10.750 7.054 598 HB2 ASP 80 1HB ASP 80 3.109 9.958 8.633 599 HB3 ASP 80 2HB ASP 80 2.533 11.594 8.318 600 H GLU 81 H GLU 81 3.116 8.273 6.755 601 HA GLU 81 HA GLU 81 4.613 9.601 4.697 602 HB2 GLU 81 1HB GLU 81 5.559 7.941 6.389 603 HB3 GLU 81 2HB GLU 81 4.758 6.661 5.491 604 HG2 GLU 81 1HG GLU 81 6.123 7.169 3.501 605 HG3 GLU 81 2HG GLU 81 6.902 8.504 4.347 606 H LEU 82 H LEU 82 1.934 7.313 4.738 607 HA LEU 82 HA LEU 82 1.961 6.400 2.057 608 HB2 LEU 82 1HB LEU 82 -0.388 6.769 3.977 609 HB3 LEU 82 2HB LEU 82 -0.542 6.009 2.403 610 HG LEU 82 HG LEU 82 1.142 4.931 4.699 611 HD11 LEU 82 1HD1 LEU 82 -0.559 3.166 4.903 612 HD12 LEU 82 2HD1 LEU 82 -1.524 3.934 3.640 613 HD13 LEU 82 3HD1 LEU 82 -1.266 4.759 5.177 614 HD21 LEU 82 3HD2 LEU 82 0.519 3.677 2.009 615 HD22 LEU 82 1HD2 LEU 82 1.409 2.915 3.329 616 HD23 LEU 82 2HD2 LEU 82 2.081 4.322 2.511 617 H ASP 83 H ASP 83 0.591 9.199 3.630 618 HA ASP 83 HA ASP 83 -0.725 10.330 1.365 619 HB2 ASP 83 1HB ASP 83 -1.287 10.878 3.735 620 HB3 ASP 83 2HB ASP 83 0.279 11.655 3.931 621 H LEU 84 H LEU 84 2.519 10.671 2.796 622 HA LEU 84 HA LEU 84 3.421 12.816 1.152 623 HB2 LEU 84 1HB LEU 84 5.009 10.752 2.708 624 HB3 LEU 84 2HB LEU 84 5.711 12.170 1.944 625 HG LEU 84 HG LEU 84 3.744 12.158 4.259 626 HD11 LEU 84 1HD1 LEU 84 5.580 13.148 5.553 627 HD12 LEU 84 2HD1 LEU 84 6.648 13.010 4.155 628 HD13 LEU 84 3HD1 LEU 84 6.011 11.556 4.929 629 HD21 LEU 84 3HD2 LEU 84 4.897 14.557 2.787 630 HD22 LEU 84 1HD2 LEU 84 3.986 14.630 4.299 631 HD23 LEU 84 2HD2 LEU 84 3.203 14.066 2.827 632 H LEU 85 H LEU 85 2.967 9.512 0.410 633 HA LEU 85 HA LEU 85 5.014 9.157 -1.553 634 HB2 LEU 85 1HB LEU 85 2.337 7.730 -1.401 635 HB3 LEU 85 2HB LEU 85 3.767 7.186 -2.274 636 HG LEU 85 HG LEU 85 3.510 7.413 0.738 637 HD11 LEU 85 1HD1 LEU 85 3.492 4.993 -1.042 638 HD12 LEU 85 2HD1 LEU 85 2.146 5.625 -0.093 639 HD13 LEU 85 3HD1 LEU 85 3.561 4.957 0.720 640 HD21 LEU 85 3HD2 LEU 85 5.843 7.812 0.078 641 HD22 LEU 85 1HD2 LEU 85 5.844 6.321 -0.871 642 HD23 LEU 85 2HD2 LEU 85 5.678 6.253 0.883 643 H GLU 86 H GLU 86 5.120 10.032 -3.496 644 HA GLU 86 HA GLU 86 2.782 11.340 -4.737 645 HB2 GLU 86 1HB GLU 86 4.422 12.331 -6.313 646 HB3 GLU 86 2HB GLU 86 4.829 12.672 -4.634 647 HG2 GLU 86 1HG GLU 86 6.604 10.988 -4.665 648 HG3 GLU 86 2HG GLU 86 6.147 10.489 -6.292 649 H THR 87 H THR 87 4.736 8.489 -5.015 650 HA THR 87 HA THR 87 3.258 7.614 -7.431 651 HB THR 87 HB THR 87 5.289 6.505 -8.311 652 HG1 THR 87 HG1 THR 87 7.341 7.367 -7.181 653 HG21 THR 87 3HG2 THR 87 6.585 8.490 -9.023 654 HG22 THR 87 1HG2 THR 87 5.810 9.461 -7.773 655 HG23 THR 87 2HG2 THR 87 4.854 8.815 -9.109 656 H VAL 88 H VAL 88 3.077 5.329 -7.682 657 HA VAL 88 HA VAL 88 2.677 3.816 -5.289 658 HB VAL 88 HB VAL 88 2.870 2.725 -8.138 659 HG11 VAL 88 1HG1 VAL 88 1.418 0.904 -7.343 660 HG12 VAL 88 2HG1 VAL 88 1.403 1.602 -5.720 661 HG13 VAL 88 3HG1 VAL 88 2.905 0.979 -6.398 662 HG21 VAL 88 3HG2 VAL 88 1.240 4.555 -8.086 663 HG22 VAL 88 1HG2 VAL 88 0.395 3.793 -6.737 664 HG23 VAL 88 2HG2 VAL 88 0.436 3.004 -8.316 665 H ASP 89 H ASP 89 5.341 4.203 -7.523 666 HA ASP 89 HA ASP 89 6.951 2.014 -6.819 667 HB2 ASP 89 1HB ASP 89 7.369 3.499 -8.768 668 HB3 ASP 89 2HB ASP 89 7.826 4.807 -7.676 669 H GLU 90 H GLU 90 6.770 5.310 -5.453 670 HA GLU 90 HA GLU 90 8.563 5.005 -3.311 671 HB2 GLU 90 1HB GLU 90 6.128 6.791 -3.666 672 HB3 GLU 90 2HB GLU 90 7.105 6.850 -2.209 673 HG2 GLU 90 1HG GLU 90 8.087 7.425 -5.016 674 HG3 GLU 90 2HG GLU 90 7.703 8.628 -3.786 675 H LEU 91 H LEU 91 5.153 4.038 -3.604 676 HA LEU 91 HA LEU 91 4.764 3.267 -0.887 677 HB2 LEU 91 1HB LEU 91 2.874 3.651 -2.342 678 HB3 LEU 91 2HB LEU 91 3.367 2.348 -3.409 679 HG LEU 91 HG LEU 91 2.804 0.670 -1.709 680 HD11 LEU 91 1HD1 LEU 91 1.735 1.254 0.439 681 HD12 LEU 91 2HD1 LEU 91 2.030 2.966 0.128 682 HD13 LEU 91 3HD1 LEU 91 3.387 1.860 0.352 683 HD21 LEU 91 3HD2 LEU 91 0.384 0.977 -1.650 684 HD22 LEU 91 1HD2 LEU 91 1.047 1.432 -3.219 685 HD23 LEU 91 2HD2 LEU 91 0.573 2.683 -2.065 686 H PHE 92 H PHE 92 5.869 1.386 -3.702 687 HA PHE 92 HA PHE 92 6.176 -1.116 -2.423 688 HB2 PHE 92 1HB PHE 92 7.605 0.116 -4.821 689 HB3 PHE 92 2HB PHE 92 7.933 -1.524 -4.277 690 HD1 PHE 92 HD2 PHE 92 5.805 -3.081 -4.013 691 HD2 PHE 92 HD1 PHE 92 5.885 0.411 -6.489 692 HE1 PHE 92 HE2 PHE 92 3.917 -3.946 -5.316 693 HE2 PHE 92 HE1 PHE 92 4.008 -0.486 -7.788 694 HZ PHE 92 HZ PHE 92 3.013 -2.659 -7.203 695 H GLN 93 H GLN 93 8.352 1.665 -2.762 696 HA GLN 93 HA GLN 93 10.583 0.678 -1.335 697 HB2 GLN 93 1HB GLN 93 9.607 3.553 -1.586 698 HB3 GLN 93 2HB GLN 93 11.209 3.072 -1.031 699 HG2 GLN 93 1HG GLN 93 11.721 2.150 -3.251 700 HG3 GLN 93 2HG GLN 93 10.095 2.556 -3.801 701 HE21 GLN 93 2HE2 GLN 93 10.811 3.938 -5.415 702 HE22 GLN 93 1HE2 GLN 93 11.537 5.473 -5.092 703 H LEU 94 H LEU 94 7.625 2.311 -0.258 704 HA LEU 94 HA LEU 94 8.361 2.983 2.367 705 HB2 LEU 94 1HB LEU 94 6.441 4.021 1.360 706 HB3 LEU 94 2HB LEU 94 5.639 2.485 1.104 707 HG LEU 94 HG LEU 94 6.194 3.274 3.972 708 HD11 LEU 94 1HD1 LEU 94 4.187 4.661 4.135 709 HD12 LEU 94 2HD1 LEU 94 3.953 4.554 2.386 710 HD13 LEU 94 3HD1 LEU 94 5.373 5.370 3.042 711 HD21 LEU 94 3HD2 LEU 94 5.079 1.121 3.514 712 HD22 LEU 94 1HD2 LEU 94 3.763 1.958 2.684 713 HD23 LEU 94 2HD2 LEU 94 4.025 2.201 4.414 714 H VAL 95 H VAL 95 6.633 0.122 1.129 715 HA VAL 95 HA VAL 95 6.256 -1.107 3.645 716 HB VAL 95 HB VAL 95 6.353 -2.449 0.907 717 HG11 VAL 95 1HG1 VAL 95 5.193 -3.496 3.528 718 HG12 VAL 95 2HG1 VAL 95 6.628 -4.112 2.710 719 HG13 VAL 95 3HG1 VAL 95 5.044 -4.285 1.954 720 HG21 VAL 95 3HG2 VAL 95 3.972 -1.379 2.482 721 HG22 VAL 95 1HG2 VAL 95 3.878 -2.274 0.962 722 HG23 VAL 95 2HG2 VAL 95 4.641 -0.686 1.003 723 H GLU 96 H GLU 96 8.737 -1.654 1.092 724 HA GLU 96 HA GLU 96 10.274 -3.564 2.536 725 HB2 GLU 96 1HB GLU 96 11.100 -1.724 0.259 726 HB3 GLU 96 2HB GLU 96 12.071 -3.064 0.854 727 HG2 GLU 96 1HG GLU 96 9.325 -3.307 -0.405 728 HG3 GLU 96 2HG GLU 96 10.857 -3.633 -1.210 729 H LYS 97 H LYS 97 10.193 -0.109 2.730 730 HA LYS 97 HA LYS 97 12.738 0.444 3.882 731 HB2 LYS 97 1HB LYS 97 11.262 2.160 2.845 732 HB3 LYS 97 2HB LYS 97 10.088 1.938 4.131 733 HG2 LYS 97 1HG LYS 97 11.816 2.768 5.765 734 HG3 LYS 97 2HG LYS 97 12.870 3.126 4.393 735 HD2 LYS 97 1HD LYS 97 10.143 4.361 4.977 736 HD3 LYS 97 2HD LYS 97 11.710 5.168 5.057 737 HE2 LYS 97 1HE LYS 97 11.979 4.960 2.629 738 HE3 LYS 97 2HE LYS 97 10.467 4.059 2.503 739 HZ1 LYS 97 3HZ LYS 97 10.791 6.895 3.312 740 HZ2 LYS 97 1HZ LYS 97 9.326 6.056 3.371 741 HZ3 LYS 97 2HZ LYS 97 10.090 6.316 1.888 742 H HIS 98 H HIS 98 9.498 -0.009 5.259 743 HA HIS 98 HA HIS 98 10.434 0.056 8.018 744 HB2 HIS 98 1HB HIS 98 7.647 -0.325 6.837 745 HB3 HIS 98 2HB HIS 98 7.990 -0.244 8.566 746 HD1 HIS 98 HD1 HIS 98 8.554 2.089 9.554 747 HD2 HIS 98 HD2 HIS 98 7.811 2.177 5.473 748 HE1 HIS 98 HE1 HIS 98 8.354 4.515 8.953 749 HE2 HIS 98 HE2 HIS 98 8.069 4.541 6.454 750 H ARG 99 H ARG 99 9.958 -2.327 5.623 751 HA ARG 99 HA ARG 99 9.557 -4.619 7.352 752 HB2 ARG 99 1HB ARG 99 8.789 -4.340 4.921 753 HB3 ARG 99 2HB ARG 99 10.454 -4.580 4.435 754 HG2 ARG 99 1HG ARG 99 9.062 -6.697 6.070 755 HG3 ARG 99 2HG ARG 99 8.693 -6.546 4.360 756 HD2 ARG 99 1HD ARG 99 10.372 -8.086 4.186 757 HD3 ARG 99 2HD ARG 99 11.378 -6.637 4.173 758 HE ARG 99 HE ARG 99 11.156 -7.307 6.829 759 HH11 ARG 99 1HH1 ARG 99 12.382 -8.942 3.964 760 HH12 ARG 99 2HH1 ARG 99 13.492 -9.926 4.864 761 HH21 ARG 99 1HH2 ARG 99 12.611 -8.600 7.977 762 HH22 ARG 99 2HH2 ARG 99 13.608 -9.746 7.138 763 H ALA 100 H ALA 100 12.266 -3.099 5.612 764 HA ALA 100 HA ALA 100 14.267 -4.989 6.496 765 HB1 ALA 100 3HB ALA 100 15.875 -3.490 5.373 766 HB2 ALA 100 1HB ALA 100 14.604 -2.279 5.164 767 HB3 ALA 100 2HB ALA 100 14.493 -3.827 4.329 768 H ALA 101 H ALA 101 13.580 -1.551 7.203 769 HA ALA 101 HA ALA 101 15.305 -1.523 9.549 770 HB1 ALA 101 3HB ALA 101 13.464 0.629 8.445 771 HB2 ALA 101 1HB ALA 101 15.189 0.475 8.110 772 HB3 ALA 101 2HB ALA 101 14.641 0.845 9.746 773 H GLY 102 H GLY 102 14.431 -2.871 11.074 774 HA2 GLY 102 1HA GLY 102 11.959 -2.007 12.419 775 HA3 GLY 102 2HA GLY 102 12.004 -3.660 11.802 776 H SER 103 H SER 103 14.732 -1.866 13.135 777 HA SER 103 HA SER 103 15.318 -3.941 15.067 778 HB2 SER 103 1HB SER 103 16.695 -1.251 14.603 779 HB3 SER 103 2HB SER 103 17.317 -2.579 15.584 780 HG SER 103 HG SER 103 16.888 -3.743 13.388 Start of MODEL 11 1 H1 MET 1 1H MET 1 9.118 -47.074 -5.505 2 H2 MET 1 2H MET 1 9.685 -45.888 -4.450 3 H3 MET 1 3H MET 1 10.188 -47.488 -4.263 4 HA MET 1 HA MET 1 11.916 -46.150 -5.251 5 HB2 MET 1 1HB MET 1 10.644 -48.171 -7.163 6 HB3 MET 1 2HB MET 1 12.279 -47.542 -7.340 7 HG2 MET 1 1HG MET 1 12.909 -48.564 -5.182 8 HG3 MET 1 2HG MET 1 11.267 -49.185 -5.002 9 HE1 MET 1 3HE MET 1 14.123 -50.564 -8.377 10 HE2 MET 1 1HE MET 1 14.577 -49.362 -7.169 11 HE3 MET 1 2HE MET 1 13.342 -48.983 -8.372 12 H GLY 2 H GLY 2 12.476 -44.483 -6.569 13 HA2 GLY 2 1HA GLY 2 12.491 -43.014 -8.329 14 HA3 GLY 2 2HA GLY 2 11.117 -43.854 -9.028 15 H SER 3 H SER 3 11.561 -42.115 -5.920 16 HA SER 3 HA SER 3 9.065 -40.745 -6.052 17 HB2 SER 3 1HB SER 3 11.506 -40.302 -4.284 18 HB3 SER 3 2HB SER 3 9.975 -39.444 -4.075 19 HG SER 3 HG SER 3 9.015 -41.259 -3.448 20 H SER 4 H SER 4 8.814 -39.452 -7.807 21 HA SER 4 HA SER 4 10.911 -37.653 -8.742 22 HB2 SER 4 1HB SER 4 9.549 -38.975 -10.367 23 HB3 SER 4 2HB SER 4 8.099 -38.131 -9.828 24 HG SER 4 HG SER 4 10.305 -36.637 -10.710 25 H HIS 5 H HIS 5 11.012 -36.225 -6.949 26 HA HIS 5 HA HIS 5 8.863 -34.179 -6.845 27 HB2 HIS 5 1HB HIS 5 10.654 -35.110 -4.546 28 HB3 HIS 5 2HB HIS 5 9.610 -33.695 -4.473 29 HD1 HIS 5 HD1 HIS 5 7.316 -34.105 -3.613 30 HD2 HIS 5 HD2 HIS 5 9.128 -37.614 -4.855 31 HE1 HIS 5 HE1 HIS 5 5.754 -35.929 -2.937 32 HE2 HIS 5 HE2 HIS 5 6.770 -38.011 -3.910 33 H ASP 6 H ASP 6 10.050 -33.368 -8.670 34 HA ASP 6 HA ASP 6 12.429 -31.746 -7.976 35 HB2 ASP 6 1HB ASP 6 13.476 -32.361 -10.166 36 HB3 ASP 6 2HB ASP 6 13.288 -33.753 -9.106 37 H HIS 7 H HIS 7 9.514 -31.280 -8.331 38 HA HIS 7 HA HIS 7 9.121 -29.719 -10.715 39 HB2 HIS 7 1HB HIS 7 7.277 -30.958 -9.638 40 HB3 HIS 7 2HB HIS 7 7.456 -30.003 -8.174 41 HD1 HIS 7 HD1 HIS 7 6.331 -29.660 -11.764 42 HD2 HIS 7 HD2 HIS 7 6.044 -27.619 -8.162 43 HE1 HIS 7 HE1 HIS 7 4.646 -27.856 -12.153 44 HE2 HIS 7 HE2 HIS 7 4.555 -26.577 -9.989 45 H HIS 8 H HIS 8 10.564 -28.036 -10.790 46 HA HIS 8 HA HIS 8 10.364 -25.882 -8.748 47 HB2 HIS 8 1HB HIS 8 12.611 -26.998 -8.769 48 HB3 HIS 8 2HB HIS 8 12.776 -26.626 -10.477 49 HD1 HIS 8 HD1 HIS 8 13.798 -25.423 -7.272 50 HD2 HIS 8 HD2 HIS 8 12.747 -23.578 -10.844 51 HE1 HIS 8 HE1 HIS 8 14.902 -23.176 -7.232 52 HE2 HIS 8 HE2 HIS 8 14.120 -22.028 -9.317 53 H HIS 9 H HIS 9 9.545 -23.984 -9.581 54 HA HIS 9 HA HIS 9 8.713 -23.849 -12.305 55 HB2 HIS 9 1HB HIS 9 7.792 -21.649 -11.807 56 HB3 HIS 9 2HB HIS 9 7.409 -22.758 -10.504 57 HD1 HIS 9 HD1 HIS 9 8.635 -22.317 -8.195 58 HD2 HIS 9 HD2 HIS 9 9.239 -19.375 -11.069 59 HE1 HIS 9 HE1 HIS 9 9.555 -20.337 -6.960 60 HE2 HIS 9 HE2 HIS 9 9.713 -18.519 -8.689 61 H HIS 10 H HIS 10 10.134 -23.636 -13.899 62 HA HIS 10 HA HIS 10 12.517 -21.955 -13.720 63 HB2 HIS 10 1HB HIS 10 12.607 -24.174 -14.876 64 HB3 HIS 10 2HB HIS 10 11.413 -23.618 -16.042 65 HD1 HIS 10 HD1 HIS 10 12.817 -23.671 -18.126 66 HD2 HIS 10 HD2 HIS 10 14.669 -21.575 -15.051 67 HE1 HIS 10 HE1 HIS 10 14.869 -22.649 -19.141 68 HE2 HIS 10 HE2 HIS 10 15.885 -21.258 -17.302 69 H SER 11 H SER 11 11.602 -19.900 -13.448 70 HA SER 11 HA SER 11 9.515 -18.792 -15.021 71 HB2 SER 11 1HB SER 11 10.266 -16.616 -13.952 72 HB3 SER 11 2HB SER 11 9.960 -17.919 -12.804 73 HG SER 11 HG SER 11 11.888 -17.042 -12.220 74 H SER 12 H SER 12 9.599 -18.053 -17.047 75 HA SER 12 HA SER 12 12.201 -17.535 -18.360 76 HB2 SER 12 1HB SER 12 9.504 -18.216 -19.621 77 HB3 SER 12 2HB SER 12 11.062 -18.121 -20.448 78 HG SER 12 HG SER 12 10.565 -19.908 -18.297 79 H GLY 13 H GLY 13 12.398 -15.709 -19.729 80 HA2 GLY 13 1HA GLY 13 11.070 -13.311 -18.836 81 HA3 GLY 13 2HA GLY 13 12.309 -13.438 -20.076 82 H ARG 14 H ARG 14 8.890 -13.978 -19.445 83 HA ARG 14 HA ARG 14 8.221 -13.489 -22.289 84 HB2 ARG 14 1HB ARG 14 7.026 -15.472 -20.314 85 HB3 ARG 14 2HB ARG 14 6.151 -14.959 -21.750 86 HG2 ARG 14 1HG ARG 14 8.866 -16.322 -21.784 87 HG3 ARG 14 2HG ARG 14 7.318 -17.127 -22.069 88 HD2 ARG 14 1HD ARG 14 6.923 -15.706 -24.038 89 HD3 ARG 14 2HD ARG 14 8.438 -14.851 -23.738 90 HE ARG 14 HE ARG 14 9.424 -17.242 -24.014 91 HH11 ARG 14 1HH1 ARG 14 6.730 -15.994 -25.886 92 HH12 ARG 14 2HH1 ARG 14 7.199 -16.821 -27.334 93 HH21 ARG 14 1HH2 ARG 14 10.023 -18.324 -25.917 94 HH22 ARG 14 2HH2 ARG 14 9.072 -18.124 -27.356 95 H GLU 15 H GLU 15 7.596 -11.453 -22.314 96 HA GLU 15 HA GLU 15 6.471 -9.975 -20.189 97 HB2 GLU 15 1HB GLU 15 6.050 -8.199 -21.962 98 HB3 GLU 15 2HB GLU 15 7.706 -8.778 -21.848 99 HG2 GLU 15 1HG GLU 15 7.445 -10.134 -23.844 100 HG3 GLU 15 2HG GLU 15 5.729 -9.744 -23.934 101 H ASN 16 H ASN 16 4.629 -10.751 -19.342 102 HA ASN 16 HA ASN 16 2.429 -10.999 -18.946 103 HB2 ASN 16 1HB ASN 16 2.090 -9.423 -21.528 104 HB3 ASN 16 2HB ASN 16 0.779 -9.773 -20.402 105 HD21 ASN 16 2HD2 ASN 16 1.981 -7.203 -21.295 106 HD22 ASN 16 1HD2 ASN 16 2.408 -6.385 -19.835 107 H LEU 17 H LEU 17 3.954 -12.836 -21.000 108 HA LEU 17 HA LEU 17 1.673 -14.184 -22.276 109 HB2 LEU 17 1HB LEU 17 4.662 -14.734 -22.490 110 HB3 LEU 17 2HB LEU 17 3.412 -15.560 -23.406 111 HG LEU 17 HG LEU 17 4.145 -12.616 -23.649 112 HD11 LEU 17 1HD1 LEU 17 4.592 -14.902 -25.590 113 HD12 LEU 17 2HD1 LEU 17 5.832 -14.076 -24.647 114 HD13 LEU 17 3HD1 LEU 17 4.951 -13.200 -25.897 115 HD21 LEU 17 3HD2 LEU 17 2.041 -14.189 -25.189 116 HD22 LEU 17 1HD2 LEU 17 2.557 -12.537 -25.550 117 HD23 LEU 17 2HD2 LEU 17 1.736 -12.890 -24.033 118 H TYR 18 H TYR 18 1.250 -14.356 -19.757 119 HA TYR 18 HA TYR 18 1.397 -17.187 -19.201 120 HB2 TYR 18 1HB TYR 18 2.039 -16.801 -16.753 121 HB3 TYR 18 2HB TYR 18 3.337 -16.624 -17.920 122 HD1 TYR 18 HD2 TYR 18 4.136 -14.258 -18.539 123 HD2 TYR 18 HD1 TYR 18 1.483 -14.965 -15.253 124 HE1 TYR 18 HE2 TYR 18 4.686 -12.053 -17.610 125 HE2 TYR 18 HE1 TYR 18 2.044 -12.759 -14.332 126 HH TYR 18 HH TYR 18 3.634 -10.372 -16.105 127 H PHE 19 H PHE 19 -0.707 -16.624 -20.057 128 HA PHE 19 HA PHE 19 -2.629 -15.096 -18.610 129 HB2 PHE 19 1HB PHE 19 -2.842 -15.544 -21.032 130 HB3 PHE 19 2HB PHE 19 -2.993 -17.268 -20.722 131 HD1 PHE 19 HD2 PHE 19 -4.674 -13.982 -20.058 132 HD2 PHE 19 HD1 PHE 19 -5.170 -18.223 -20.389 133 HE1 PHE 19 HE2 PHE 19 -7.114 -13.714 -19.908 134 HE2 PHE 19 HE1 PHE 19 -7.607 -17.942 -20.229 135 HZ PHE 19 HZ PHE 19 -8.584 -15.691 -19.989 136 H GLN 20 H GLN 20 -1.748 -18.533 -18.708 137 HA GLN 20 HA GLN 20 -3.114 -18.987 -16.146 138 HB2 GLN 20 1HB GLN 20 -4.701 -19.667 -17.972 139 HB3 GLN 20 2HB GLN 20 -3.493 -20.802 -18.564 140 HG2 GLN 20 1HG GLN 20 -3.626 -22.065 -16.445 141 HG3 GLN 20 2HG GLN 20 -4.808 -20.909 -15.830 142 HE21 GLN 20 2HE2 GLN 20 -6.905 -20.864 -16.787 143 HE22 GLN 20 1HE2 GLN 20 -7.508 -22.231 -17.652 144 H GLY 21 H GLY 21 -2.061 -20.385 -14.839 145 HA2 GLY 21 1HA GLY 21 -0.425 -22.503 -15.239 146 HA3 GLY 21 2HA GLY 21 0.665 -21.130 -15.458 147 H HIS 22 H HIS 22 0.855 -19.578 -13.751 148 HA HIS 22 HA HIS 22 -0.456 -19.796 -11.244 149 HB2 HIS 22 1HB HIS 22 1.442 -20.361 -9.778 150 HB3 HIS 22 2HB HIS 22 1.158 -21.678 -10.910 151 HD1 HIS 22 HD1 HIS 22 3.811 -19.693 -9.538 152 HD2 HIS 22 HD2 HIS 22 3.130 -21.527 -13.195 153 HE1 HIS 22 HE1 HIS 22 6.051 -19.851 -10.629 154 HE2 HIS 22 HE2 HIS 22 5.642 -21.124 -12.762 155 H MET 23 H MET 23 -0.619 -17.752 -10.563 156 HA MET 23 HA MET 23 1.073 -15.637 -11.661 157 HB2 MET 23 1HB MET 23 -1.385 -15.559 -9.852 158 HB3 MET 23 2HB MET 23 -0.528 -14.124 -10.402 159 HG2 MET 23 1HG MET 23 -2.505 -14.445 -11.752 160 HG3 MET 23 2HG MET 23 -1.076 -14.732 -12.747 161 HE1 MET 23 3HE MET 23 -3.755 -17.251 -14.201 162 HE2 MET 23 1HE MET 23 -2.680 -15.906 -14.579 163 HE3 MET 23 2HE MET 23 -4.088 -15.649 -13.546 164 HA PRO 24 HA PRO 24 3.967 -15.375 -8.226 165 HB2 PRO 24 1HB PRO 24 3.528 -12.384 -8.429 166 HB3 PRO 24 2HB PRO 24 5.047 -13.295 -8.378 167 HG2 PRO 24 1HG PRO 24 4.175 -12.334 -10.701 168 HG3 PRO 24 2HG PRO 24 4.864 -13.973 -10.632 169 HD2 PRO 24 1HD PRO 24 1.968 -13.133 -10.776 170 HD3 PRO 24 2HD PRO 24 2.791 -14.475 -11.600 171 H ASN 25 H ASN 25 3.557 -15.717 -6.094 172 HA ASN 25 HA ASN 25 1.283 -14.366 -4.757 173 HB2 ASN 25 1HB ASN 25 1.186 -16.221 -3.231 174 HB3 ASN 25 2HB ASN 25 1.361 -16.918 -4.834 175 HD21 ASN 25 2HD2 ASN 25 4.342 -16.444 -4.916 176 HD22 ASN 25 1HD2 ASN 25 5.007 -17.607 -3.832 177 H ASP 26 H ASP 26 3.957 -13.202 -5.250 178 HA ASP 26 HA ASP 26 5.462 -13.205 -2.769 179 HB2 ASP 26 1HB ASP 26 6.489 -13.254 -5.097 180 HB3 ASP 26 2HB ASP 26 5.915 -11.603 -5.334 181 H MET 27 H MET 27 6.199 -11.058 -1.858 182 HA MET 27 HA MET 27 4.086 -9.450 -0.953 183 HB2 MET 27 1HB MET 27 5.800 -8.012 0.066 184 HB3 MET 27 2HB MET 27 6.188 -9.706 0.313 185 HG2 MET 27 1HG MET 27 7.928 -9.626 -1.362 186 HG3 MET 27 2HG MET 27 7.451 -8.003 -1.852 187 HE1 MET 27 3HE MET 27 6.960 -6.515 0.945 188 HE2 MET 27 1HE MET 27 7.881 -5.804 -0.381 189 HE3 MET 27 2HE MET 27 8.562 -5.842 1.246 190 H GLU 28 H GLU 28 6.189 -9.095 -3.743 191 HA GLU 28 HA GLU 28 5.691 -6.438 -4.459 192 HB2 GLU 28 1HB GLU 28 6.175 -8.857 -6.235 193 HB3 GLU 28 2HB GLU 28 6.149 -7.203 -6.834 194 HG2 GLU 28 1HG GLU 28 8.107 -6.674 -5.389 195 HG3 GLU 28 2HG GLU 28 8.140 -8.353 -4.856 196 H ASP 29 H ASP 29 4.048 -9.409 -5.462 197 HA ASP 29 HA ASP 29 2.024 -8.184 -7.021 198 HB2 ASP 29 1HB ASP 29 2.710 -10.572 -7.249 199 HB3 ASP 29 2HB ASP 29 2.000 -10.928 -5.676 200 H HIS 30 H HIS 30 2.271 -9.076 -3.610 201 HA HIS 30 HA HIS 30 -0.438 -8.728 -2.868 202 HB2 HIS 30 1HB HIS 30 2.151 -8.745 -1.303 203 HB3 HIS 30 2HB HIS 30 0.638 -8.337 -0.501 204 HD1 HIS 30 HD1 HIS 30 2.705 -11.108 -0.771 205 HD2 HIS 30 HD2 HIS 30 -1.380 -10.584 -1.306 206 HE1 HIS 30 HE1 HIS 30 1.678 -13.361 -0.418 207 HE2 HIS 30 HE2 HIS 30 -0.799 -12.980 -0.562 208 H LEU 31 H LEU 31 2.282 -6.417 -2.991 209 HA LEU 31 HA LEU 31 0.829 -4.188 -1.931 210 HB2 LEU 31 1HB LEU 31 3.380 -4.385 -3.563 211 HB3 LEU 31 2HB LEU 31 2.696 -2.826 -3.124 212 HG LEU 31 HG LEU 31 3.562 -4.943 -1.117 213 HD11 LEU 31 1HD1 LEU 31 5.522 -4.014 -2.253 214 HD12 LEU 31 2HD1 LEU 31 5.451 -3.466 -0.581 215 HD13 LEU 31 3HD1 LEU 31 4.979 -2.375 -1.885 216 HD21 LEU 31 3HD2 LEU 31 1.737 -3.554 -0.250 217 HD22 LEU 31 1HD2 LEU 31 2.631 -2.087 -0.663 218 HD23 LEU 31 2HD2 LEU 31 3.243 -3.179 0.580 219 H LEU 32 H LEU 32 1.354 -5.430 -5.167 220 HA LEU 32 HA LEU 32 0.117 -3.321 -6.628 221 HB2 LEU 32 1HB LEU 32 1.663 -5.495 -7.271 222 HB3 LEU 32 2HB LEU 32 0.092 -6.120 -7.729 223 HG LEU 32 HG LEU 32 -0.195 -4.128 -9.256 224 HD11 LEU 32 1HD1 LEU 32 1.316 -2.547 -8.146 225 HD12 LEU 32 2HD1 LEU 32 1.783 -2.759 -9.829 226 HD13 LEU 32 3HD1 LEU 32 2.712 -3.550 -8.553 227 HD21 LEU 32 3HD2 LEU 32 1.316 -4.953 -11.019 228 HD22 LEU 32 1HD2 LEU 32 0.585 -6.299 -10.144 229 HD23 LEU 32 2HD2 LEU 32 2.261 -5.845 -9.822 230 H THR 33 H THR 33 -1.028 -6.276 -5.143 231 HA THR 33 HA THR 33 -3.688 -6.284 -6.224 232 HB THR 33 HB THR 33 -2.360 -7.916 -4.006 233 HG1 THR 33 HG1 THR 33 -1.715 -9.008 -5.691 234 HG21 THR 33 3HG2 THR 33 -4.333 -9.428 -4.061 235 HG22 THR 33 1HG2 THR 33 -5.169 -8.309 -5.145 236 HG23 THR 33 2HG2 THR 33 -4.782 -7.823 -3.492 237 H VAL 34 H VAL 34 -2.169 -5.138 -3.192 238 HA VAL 34 HA VAL 34 -4.643 -4.827 -1.791 239 HB VAL 34 HB VAL 34 -2.478 -5.083 -0.569 240 HG11 VAL 34 1HG1 VAL 34 -1.023 -3.638 -1.904 241 HG12 VAL 34 2HG1 VAL 34 -0.979 -3.168 -0.209 242 HG13 VAL 34 3HG1 VAL 34 -1.903 -2.207 -1.369 243 HG21 VAL 34 3HG2 VAL 34 -3.006 -3.472 1.232 244 HG22 VAL 34 1HG2 VAL 34 -4.455 -4.235 0.584 245 HG23 VAL 34 2HG2 VAL 34 -4.052 -2.578 0.125 246 H LEU 35 H LEU 35 -2.641 -2.669 -3.762 247 HA LEU 35 HA LEU 35 -4.217 -0.317 -3.448 248 HB2 LEU 35 1HB LEU 35 -2.486 -1.196 -5.787 249 HB3 LEU 35 2HB LEU 35 -3.119 0.424 -5.559 250 HG LEU 35 HG LEU 35 -1.086 -0.959 -3.780 251 HD11 LEU 35 1HD1 LEU 35 -0.753 1.350 -5.710 252 HD12 LEU 35 2HD1 LEU 35 -0.150 -0.293 -5.928 253 HD13 LEU 35 3HD1 LEU 35 0.495 0.713 -4.634 254 HD21 LEU 35 3HD2 LEU 35 -0.875 1.190 -2.587 255 HD22 LEU 35 1HD2 LEU 35 -2.495 0.514 -2.415 256 HD23 LEU 35 2HD2 LEU 35 -2.212 1.853 -3.528 257 H SER 36 H SER 36 -4.339 -3.046 -5.706 258 HA SER 36 HA SER 36 -6.307 -2.140 -7.481 259 HB2 SER 36 1HB SER 36 -4.884 -4.116 -7.910 260 HB3 SER 36 2HB SER 36 -5.673 -4.990 -6.601 261 HG SER 36 HG SER 36 -7.101 -3.975 -8.818 262 H VAL 37 H VAL 37 -6.665 -4.101 -4.543 263 HA VAL 37 HA VAL 37 -9.487 -4.453 -4.752 264 HB VAL 37 HB VAL 37 -7.531 -4.969 -2.461 265 HG11 VAL 37 1HG1 VAL 37 -9.746 -4.670 -1.470 266 HG12 VAL 37 2HG1 VAL 37 -9.302 -6.374 -1.415 267 HG13 VAL 37 3HG1 VAL 37 -10.457 -5.800 -2.623 268 HG21 VAL 37 3HG2 VAL 37 -8.833 -6.883 -4.452 269 HG22 VAL 37 1HG2 VAL 37 -7.755 -7.348 -3.131 270 HG23 VAL 37 2HG2 VAL 37 -7.148 -6.361 -4.458 271 H ALA 38 H ALA 38 -7.417 -2.330 -2.757 272 HA ALA 38 HA ALA 38 -9.505 -1.262 -1.145 273 HB1 ALA 38 3HB ALA 38 -7.156 -1.275 -0.408 274 HB2 ALA 38 1HB ALA 38 -7.821 0.361 -0.368 275 HB3 ALA 38 2HB ALA 38 -6.741 -0.124 -1.677 276 H SER 39 H SER 39 -8.029 -0.185 -4.198 277 HA SER 39 HA SER 39 -9.567 2.299 -4.293 278 HB2 SER 39 1HB SER 39 -7.740 1.052 -6.393 279 HB3 SER 39 2HB SER 39 -8.381 2.699 -6.418 280 HG SER 39 HG SER 39 -6.365 1.584 -4.864 281 H GLY 40 H GLY 40 -10.050 -0.972 -5.241 282 HA2 GLY 40 1HA GLY 40 -11.930 -1.986 -6.124 283 HA3 GLY 40 2HA GLY 40 -12.634 -0.406 -6.427 284 H VAL 41 H VAL 41 -9.537 -0.601 -7.687 285 HA VAL 41 HA VAL 41 -10.469 -0.637 -10.447 286 HB VAL 41 HB VAL 41 -8.144 0.098 -10.971 287 HG11 VAL 41 1HG1 VAL 41 -9.363 1.756 -8.741 288 HG12 VAL 41 2HG1 VAL 41 -9.830 1.811 -10.441 289 HG13 VAL 41 3HG1 VAL 41 -8.211 2.320 -9.960 290 HG21 VAL 41 3HG2 VAL 41 -7.639 -0.098 -7.976 291 HG22 VAL 41 1HG2 VAL 41 -6.533 0.605 -9.157 292 HG23 VAL 41 2HG2 VAL 41 -6.912 -1.112 -9.226 293 HA PRO 42 HA PRO 42 -8.481 -4.697 -11.464 294 HB2 PRO 42 1HB PRO 42 -7.430 -3.286 -13.910 295 HB3 PRO 42 2HB PRO 42 -8.356 -4.792 -13.788 296 HG2 PRO 42 1HG PRO 42 -9.515 -2.526 -14.659 297 HG3 PRO 42 2HG PRO 42 -10.411 -3.676 -13.644 298 HD2 PRO 42 1HD PRO 42 -9.135 -1.056 -12.875 299 HD3 PRO 42 2HD PRO 42 -10.682 -1.756 -12.346 300 H LYS 43 H LYS 43 -6.395 -5.515 -11.223 301 HA LYS 43 HA LYS 43 -4.283 -3.859 -10.224 302 HB2 LYS 43 1HB LYS 43 -4.671 -6.201 -9.491 303 HB3 LYS 43 2HB LYS 43 -4.242 -6.783 -11.095 304 HG2 LYS 43 1HG LYS 43 -1.945 -6.204 -10.809 305 HG3 LYS 43 2HG LYS 43 -2.284 -5.194 -9.405 306 HD2 LYS 43 1HD LYS 43 -1.218 -7.307 -8.722 307 HD3 LYS 43 2HD LYS 43 -2.853 -7.199 -8.077 308 HE2 LYS 43 1HE LYS 43 -3.619 -8.674 -9.966 309 HE3 LYS 43 2HE LYS 43 -1.928 -8.861 -10.442 310 HZ1 LYS 43 3HZ LYS 43 -1.454 -9.842 -8.311 311 HZ2 LYS 43 1HZ LYS 43 -2.727 -10.685 -9.034 312 HZ3 LYS 43 2HZ LYS 43 -3.033 -9.586 -7.783 313 H GLU 44 H GLU 44 -5.222 -4.904 -13.368 314 HA GLU 44 HA GLU 44 -2.923 -4.596 -14.919 315 HB2 GLU 44 1HB GLU 44 -5.810 -3.920 -15.612 316 HB3 GLU 44 2HB GLU 44 -4.508 -4.054 -16.791 317 HG2 GLU 44 1HG GLU 44 -4.207 -6.431 -16.207 318 HG3 GLU 44 2HG GLU 44 -5.488 -6.298 -15.006 319 H GLU 45 H GLU 45 -4.921 -2.148 -13.415 320 HA GLU 45 HA GLU 45 -4.037 0.126 -14.923 321 HB2 GLU 45 1HB GLU 45 -5.256 0.098 -12.119 322 HB3 GLU 45 2HB GLU 45 -5.187 1.475 -13.210 323 HG2 GLU 45 1HG GLU 45 -6.835 -1.044 -13.565 324 HG3 GLU 45 2HG GLU 45 -7.431 0.569 -13.174 325 H ILE 46 H ILE 46 -2.510 -1.773 -12.585 326 HA ILE 46 HA ILE 46 -0.862 0.439 -11.493 327 HB ILE 46 HB ILE 46 -1.472 -2.142 -9.977 328 HG12 ILE 46 1HG1 ILE 46 -3.108 0.441 -9.818 329 HG13 ILE 46 2HG1 ILE 46 -3.652 -1.054 -10.564 330 HG21 ILE 46 1HG2 ILE 46 -0.645 0.638 -9.013 331 HG22 ILE 46 2HG2 ILE 46 0.416 -0.762 -9.154 332 HG23 ILE 46 3HG2 ILE 46 -0.899 -0.775 -7.982 333 HD11 ILE 46 3HD1 ILE 46 -4.632 -0.809 -8.410 334 HD12 ILE 46 1HD1 ILE 46 -3.049 -0.619 -7.661 335 HD13 ILE 46 2HD1 ILE 46 -3.503 -2.165 -8.382 336 H SER 47 H SER 47 1.205 0.267 -12.025 337 HA SER 47 HA SER 47 2.576 -2.361 -11.976 338 HB2 SER 47 1HB SER 47 2.504 -1.432 -14.314 339 HB3 SER 47 2HB SER 47 3.294 0.039 -13.744 340 HG SER 47 HG SER 47 4.955 -1.153 -14.438 341 H ARG 48 H ARG 48 5.086 -1.793 -11.634 342 HA ARG 48 HA ARG 48 5.248 -0.656 -9.014 343 HB2 ARG 48 1HB ARG 48 7.647 -1.172 -9.116 344 HB3 ARG 48 2HB ARG 48 6.685 -2.535 -9.671 345 HG2 ARG 48 1HG ARG 48 7.196 -1.845 -12.043 346 HG3 ARG 48 2HG ARG 48 8.286 -0.614 -11.400 347 HD2 ARG 48 1HD ARG 48 9.623 -2.514 -12.012 348 HD3 ARG 48 2HD ARG 48 9.562 -2.476 -10.248 349 HE ARG 48 HE ARG 48 8.011 -4.313 -11.984 350 HH11 ARG 48 1HH1 ARG 48 9.463 -3.671 -8.842 351 HH12 ARG 48 2HH1 ARG 48 9.210 -5.290 -8.273 352 HH21 ARG 48 1HH2 ARG 48 7.674 -6.407 -11.194 353 HH22 ARG 48 2HH2 ARG 48 8.194 -6.830 -9.595 354 H ASP 49 H ASP 49 6.131 0.485 -12.226 355 HA ASP 49 HA ASP 49 7.382 2.939 -11.283 356 HB2 ASP 49 1HB ASP 49 7.700 3.395 -13.732 357 HB3 ASP 49 2HB ASP 49 8.376 1.861 -13.204 358 H SER 50 H SER 50 4.216 2.005 -11.670 359 HA SER 50 HA SER 50 3.042 4.334 -12.849 360 HB2 SER 50 1HB SER 50 1.787 2.178 -11.096 361 HB3 SER 50 2HB SER 50 0.896 3.389 -12.024 362 HG SER 50 HG SER 50 2.263 2.422 -13.842 363 H ARG 51 H ARG 51 1.515 5.779 -11.700 364 HA ARG 51 HA ARG 51 2.334 6.383 -8.930 365 HB2 ARG 51 1HB ARG 51 1.632 8.701 -9.216 366 HB3 ARG 51 2HB ARG 51 2.832 8.280 -10.419 367 HG2 ARG 51 1HG ARG 51 -0.133 8.341 -11.037 368 HG3 ARG 51 2HG ARG 51 0.892 9.765 -11.181 369 HD2 ARG 51 1HD ARG 51 2.289 8.590 -12.845 370 HD3 ARG 51 2HD ARG 51 1.268 7.154 -12.687 371 HE ARG 51 HE ARG 51 -0.162 9.556 -13.421 372 HH11 ARG 51 1HH1 ARG 51 1.610 6.808 -14.709 373 HH12 ARG 51 2HH1 ARG 51 0.828 6.880 -16.251 374 HH21 ARG 51 1HH2 ARG 51 -1.153 9.648 -15.456 375 HH22 ARG 51 2HH2 ARG 51 -0.729 8.494 -16.685 376 H MET 52 H MET 52 0.935 6.211 -7.357 377 HA MET 52 HA MET 52 -1.841 5.491 -7.781 378 HB2 MET 52 1HB MET 52 -1.921 5.291 -5.297 379 HB3 MET 52 2HB MET 52 -0.600 4.362 -5.985 380 HG2 MET 52 1HG MET 52 1.009 6.086 -5.273 381 HG3 MET 52 2HG MET 52 -0.308 7.064 -4.630 382 HE1 MET 52 3HE MET 52 0.358 3.160 -4.429 383 HE2 MET 52 1HE MET 52 1.103 3.048 -2.835 384 HE3 MET 52 2HE MET 52 1.939 3.891 -4.139 385 H GLU 53 H GLU 53 -2.121 7.563 -9.006 386 HA GLU 53 HA GLU 53 -2.274 10.044 -7.473 387 HB2 GLU 53 1HB GLU 53 -1.357 9.830 -9.864 388 HB3 GLU 53 2HB GLU 53 -3.007 9.576 -10.398 389 HG2 GLU 53 1HG GLU 53 -2.049 12.082 -8.979 390 HG3 GLU 53 2HG GLU 53 -2.125 11.902 -10.728 391 H ASP 54 H ASP 54 -4.614 8.598 -9.786 392 HA ASP 54 HA ASP 54 -6.956 9.406 -8.335 393 HB2 ASP 54 1HB ASP 54 -7.046 9.033 -10.758 394 HB3 ASP 54 2HB ASP 54 -6.531 7.364 -10.566 395 H LEU 55 H LEU 55 -4.858 6.655 -8.256 396 HA LEU 55 HA LEU 55 -6.713 4.847 -6.891 397 HB2 LEU 55 1HB LEU 55 -3.817 4.346 -7.703 398 HB3 LEU 55 2HB LEU 55 -5.019 3.152 -7.240 399 HG LEU 55 HG LEU 55 -6.318 3.972 -9.391 400 HD11 LEU 55 1HD1 LEU 55 -4.875 4.758 -11.230 401 HD12 LEU 55 2HD1 LEU 55 -3.520 4.915 -10.104 402 HD13 LEU 55 3HD1 LEU 55 -4.953 5.924 -9.911 403 HD21 LEU 55 3HD2 LEU 55 -5.361 1.745 -9.114 404 HD22 LEU 55 1HD2 LEU 55 -3.794 2.328 -9.682 405 HD23 LEU 55 2HD2 LEU 55 -5.188 2.323 -10.768 406 H ALA 56 H ALA 56 -6.489 4.341 -4.730 407 HA ALA 56 HA ALA 56 -5.658 3.996 -2.684 408 HB1 ALA 56 3HB ALA 56 -2.957 4.916 -3.678 409 HB2 ALA 56 1HB ALA 56 -3.574 3.263 -3.761 410 HB3 ALA 56 2HB ALA 56 -3.285 4.018 -2.193 411 H PHE 57 H PHE 57 -5.010 7.180 -4.041 412 HA PHE 57 HA PHE 57 -3.888 8.405 -1.799 413 HB2 PHE 57 1HB PHE 57 -3.491 9.255 -4.053 414 HB3 PHE 57 2HB PHE 57 -5.205 9.574 -4.275 415 HD1 PHE 57 HD1 PHE 57 -2.256 10.607 -2.205 416 HD2 PHE 57 HD2 PHE 57 -6.082 11.736 -3.763 417 HE1 PHE 57 HE1 PHE 57 -1.934 12.892 -1.356 418 HE2 PHE 57 HE2 PHE 57 -5.750 14.017 -2.917 419 HZ PHE 57 HZ PHE 57 -3.679 14.599 -1.707 420 H ASP 58 H ASP 58 -7.234 8.050 -2.739 421 HA ASP 58 HA ASP 58 -8.522 10.007 -1.227 422 HB2 ASP 58 1HB ASP 58 -9.686 8.616 -2.870 423 HB3 ASP 58 2HB ASP 58 -9.385 7.162 -1.916 424 H SER 59 H SER 59 -9.150 10.175 0.953 425 HA SER 59 HA SER 59 -7.366 9.076 2.828 426 HB2 SER 59 1HB SER 59 -10.004 10.502 3.328 427 HB3 SER 59 2HB SER 59 -8.723 10.267 4.523 428 HG SER 59 HG SER 59 -7.367 11.380 2.813 429 H LEU 60 H LEU 60 -10.631 8.059 1.967 430 HA LEU 60 HA LEU 60 -11.019 6.200 4.115 431 HB2 LEU 60 1HB LEU 60 -12.881 7.175 2.765 432 HB3 LEU 60 2HB LEU 60 -12.316 6.296 1.355 433 HG LEU 60 HG LEU 60 -12.827 4.133 2.536 434 HD11 LEU 60 1HD1 LEU 60 -12.627 4.861 4.863 435 HD12 LEU 60 2HD1 LEU 60 -14.213 4.148 4.581 436 HD13 LEU 60 3HD1 LEU 60 -14.043 5.903 4.686 437 HD21 LEU 60 3HD2 LEU 60 -14.466 5.095 0.976 438 HD22 LEU 60 1HD2 LEU 60 -15.195 6.024 2.289 439 HD23 LEU 60 2HD2 LEU 60 -15.276 4.261 2.300 440 H VAL 61 H VAL 61 -9.684 6.006 0.847 441 HA VAL 61 HA VAL 61 -9.291 3.160 0.821 442 HB VAL 61 HB VAL 61 -7.914 5.269 -0.934 443 HG11 VAL 61 1HG1 VAL 61 -7.567 3.381 -2.524 444 HG12 VAL 61 2HG1 VAL 61 -8.245 2.263 -1.339 445 HG13 VAL 61 3HG1 VAL 61 -6.737 3.108 -0.991 446 HG21 VAL 61 3HG2 VAL 61 -10.452 3.663 -1.489 447 HG22 VAL 61 1HG2 VAL 61 -9.665 4.783 -2.606 448 HG23 VAL 61 2HG2 VAL 61 -10.388 5.387 -1.114 449 H VAL 62 H VAL 62 -7.208 5.947 1.636 450 HA VAL 62 HA VAL 62 -4.797 4.535 2.178 451 HB VAL 62 HB VAL 62 -5.826 7.227 3.235 452 HG11 VAL 62 1HG1 VAL 62 -3.497 7.723 3.993 453 HG12 VAL 62 2HG1 VAL 62 -3.040 6.053 3.636 454 HG13 VAL 62 3HG1 VAL 62 -4.228 6.393 4.893 455 HG21 VAL 62 3HG2 VAL 62 -5.357 7.189 0.825 456 HG22 VAL 62 1HG2 VAL 62 -3.724 6.585 1.122 457 HG23 VAL 62 2HG2 VAL 62 -4.183 8.205 1.657 458 H SER 63 H SER 63 -7.671 5.242 4.102 459 HA SER 63 HA SER 63 -6.739 4.453 6.647 460 HB2 SER 63 1HB SER 63 -8.852 5.746 6.257 461 HB3 SER 63 2HB SER 63 -9.597 4.298 5.575 462 HG SER 63 HG SER 63 -9.516 3.327 7.558 463 H GLU 64 H GLU 64 -8.497 2.645 4.104 464 HA GLU 64 HA GLU 64 -8.488 0.120 5.416 465 HB2 GLU 64 1HB GLU 64 -10.067 0.772 3.559 466 HB3 GLU 64 2HB GLU 64 -8.720 0.704 2.427 467 HG2 GLU 64 1HG GLU 64 -10.028 -1.327 2.234 468 HG3 GLU 64 2HG GLU 64 -8.449 -1.719 2.911 469 H LEU 65 H LEU 65 -6.334 1.650 3.076 470 HA LEU 65 HA LEU 65 -4.688 -0.521 2.362 471 HB2 LEU 65 1HB LEU 65 -4.808 1.571 1.066 472 HB3 LEU 65 2HB LEU 65 -4.100 2.466 2.399 473 HG LEU 65 HG LEU 65 -1.958 1.196 2.083 474 HD11 LEU 65 1HD1 LEU 65 -1.594 -0.143 0.045 475 HD12 LEU 65 2HD1 LEU 65 -3.304 0.004 -0.362 476 HD13 LEU 65 3HD1 LEU 65 -2.814 -0.865 1.092 477 HD21 LEU 65 3HD2 LEU 65 -2.940 2.653 -0.404 478 HD22 LEU 65 1HD2 LEU 65 -1.250 2.344 0.011 479 HD23 LEU 65 2HD2 LEU 65 -2.226 3.399 1.028 480 H SER 66 H SER 66 -4.339 1.951 4.884 481 HA SER 66 HA SER 66 -1.791 1.175 5.844 482 HB2 SER 66 1HB SER 66 -2.357 2.595 7.830 483 HB3 SER 66 2HB SER 66 -2.642 3.411 6.298 484 HG SER 66 HG SER 66 -4.878 2.755 6.548 485 H LEU 67 H LEU 67 -5.108 0.269 6.758 486 HA LEU 67 HA LEU 67 -4.470 -1.391 8.957 487 HB2 LEU 67 1HB LEU 67 -6.787 -1.545 6.991 488 HB3 LEU 67 2HB LEU 67 -6.685 -2.506 8.458 489 HG LEU 67 HG LEU 67 -6.793 0.534 8.404 490 HD11 LEU 67 1HD1 LEU 67 -9.100 0.331 9.216 491 HD12 LEU 67 2HD1 LEU 67 -9.011 -1.424 9.052 492 HD13 LEU 67 3HD1 LEU 67 -8.912 -0.398 7.621 493 HD21 LEU 67 3HD2 LEU 67 -5.612 -0.301 10.393 494 HD22 LEU 67 1HD2 LEU 67 -6.964 -1.374 10.765 495 HD23 LEU 67 2HD2 LEU 67 -7.176 0.374 10.837 496 H LYS 68 H LYS 68 -4.609 -2.063 5.475 497 HA LYS 68 HA LYS 68 -4.280 -4.883 5.635 498 HB2 LYS 68 1HB LYS 68 -3.610 -3.005 3.336 499 HB3 LYS 68 2HB LYS 68 -3.727 -4.752 3.215 500 HG2 LYS 68 1HG LYS 68 -6.013 -2.858 3.834 501 HG3 LYS 68 2HG LYS 68 -5.701 -3.645 2.289 502 HD2 LYS 68 1HD LYS 68 -6.012 -5.863 3.423 503 HD3 LYS 68 2HD LYS 68 -6.468 -5.001 4.898 504 HE2 LYS 68 1HE LYS 68 -8.348 -3.932 3.640 505 HE3 LYS 68 2HE LYS 68 -7.915 -4.894 2.227 506 HZ1 LYS 68 3HZ LYS 68 -8.336 -6.895 3.537 507 HZ2 LYS 68 1HZ LYS 68 -9.708 -5.916 3.430 508 HZ3 LYS 68 2HZ LYS 68 -8.804 -5.946 4.852 509 H LEU 69 H LEU 69 -1.947 -2.215 5.125 510 HA LEU 69 HA LEU 69 0.372 -3.859 4.869 511 HB2 LEU 69 1HB LEU 69 0.234 -0.968 5.810 512 HB3 LEU 69 2HB LEU 69 1.674 -1.805 5.249 513 HG LEU 69 HG LEU 69 -0.722 -0.956 3.581 514 HD11 LEU 69 1HD1 LEU 69 0.853 0.842 4.075 515 HD12 LEU 69 2HD1 LEU 69 0.892 0.424 2.365 516 HD13 LEU 69 3HD1 LEU 69 2.187 -0.123 3.435 517 HD21 LEU 69 3HD2 LEU 69 -0.018 -3.160 2.769 518 HD22 LEU 69 1HD2 LEU 69 1.652 -2.599 2.638 519 HD23 LEU 69 2HD2 LEU 69 0.399 -1.904 1.607 520 H ARG 70 H ARG 70 -1.283 -2.364 7.552 521 HA ARG 70 HA ARG 70 0.517 -2.726 9.663 522 HB2 ARG 70 1HB ARG 70 -1.471 -1.278 9.727 523 HB3 ARG 70 2HB ARG 70 -2.528 -2.678 9.648 524 HG2 ARG 70 1HG ARG 70 -1.842 -3.357 11.899 525 HG3 ARG 70 2HG ARG 70 -0.678 -2.026 11.965 526 HD2 ARG 70 1HD ARG 70 -2.614 -0.428 11.622 527 HD3 ARG 70 2HD ARG 70 -3.706 -1.802 11.807 528 HE ARG 70 HE ARG 70 -2.480 -2.037 14.075 529 HH11 ARG 70 1HH1 ARG 70 -3.250 1.035 12.540 530 HH12 ARG 70 2HH1 ARG 70 -3.461 1.865 14.049 531 HH21 ARG 70 1HH2 ARG 70 -2.762 -0.922 16.048 532 HH22 ARG 70 2HH2 ARG 70 -3.180 0.760 16.031 533 H LYS 71 H LYS 71 -1.913 -4.902 8.281 534 HA LYS 71 HA LYS 71 -1.429 -6.968 10.318 535 HB2 LYS 71 1HB LYS 71 -3.364 -7.019 7.955 536 HB3 LYS 71 2HB LYS 71 -3.328 -8.154 9.296 537 HG2 LYS 71 1HG LYS 71 -4.078 -5.223 9.443 538 HG3 LYS 71 2HG LYS 71 -5.183 -6.594 9.538 539 HD2 LYS 71 1HD LYS 71 -4.121 -7.300 11.651 540 HD3 LYS 71 2HD LYS 71 -2.993 -5.947 11.544 541 HE2 LYS 71 1HE LYS 71 -4.871 -4.357 11.723 542 HE3 LYS 71 2HE LYS 71 -6.010 -5.703 11.799 543 HZ1 LYS 71 3HZ LYS 71 -5.031 -6.413 13.851 544 HZ2 LYS 71 1HZ LYS 71 -5.461 -4.786 13.991 545 HZ3 LYS 71 2HZ LYS 71 -3.845 -5.224 13.767 546 H GLU 72 H GLU 72 -1.626 -6.961 6.738 547 HA GLU 72 HA GLU 72 -0.629 -9.574 6.419 548 HB2 GLU 72 1HB GLU 72 -2.141 -8.401 4.809 549 HB3 GLU 72 2HB GLU 72 -0.812 -7.343 4.348 550 HG2 GLU 72 1HG GLU 72 0.412 -9.186 3.363 551 HG3 GLU 72 2HG GLU 72 -0.747 -10.361 3.979 552 H PHE 73 H PHE 73 0.973 -6.427 6.080 553 HA PHE 73 HA PHE 73 3.562 -7.707 5.447 554 HB2 PHE 73 1HB PHE 73 2.722 -4.772 5.341 555 HB3 PHE 73 2HB PHE 73 4.315 -5.390 4.895 556 HD1 PHE 73 HD2 PHE 73 0.715 -5.359 3.934 557 HD2 PHE 73 HD1 PHE 73 4.675 -6.483 2.749 558 HE1 PHE 73 HE2 PHE 73 -0.081 -5.784 1.651 559 HE2 PHE 73 HE1 PHE 73 3.860 -6.919 0.474 560 HZ PHE 73 HZ PHE 73 1.486 -6.561 -0.076 561 H GLY 74 H GLY 74 1.853 -6.211 8.053 562 HA2 GLY 74 1HA GLY 74 2.444 -6.047 10.290 563 HA3 GLY 74 2HA GLY 74 4.098 -6.489 9.891 564 H VAL 75 H VAL 75 3.438 -4.124 7.757 565 HA VAL 75 HA VAL 75 5.106 -2.205 9.095 566 HB VAL 75 HB VAL 75 3.724 -2.078 6.368 567 HG11 VAL 75 1HG1 VAL 75 5.364 -0.317 5.788 568 HG12 VAL 75 2HG1 VAL 75 5.976 -0.342 7.445 569 HG13 VAL 75 3HG1 VAL 75 4.321 0.174 7.123 570 HG21 VAL 75 3HG2 VAL 75 5.912 -2.758 5.431 571 HG22 VAL 75 1HG2 VAL 75 5.289 -3.979 6.543 572 HG23 VAL 75 2HG2 VAL 75 6.580 -2.890 7.060 573 H THR 76 H THR 76 4.129 -1.151 10.729 574 HA THR 76 HA THR 76 1.381 -0.060 10.461 575 HB THR 76 HB THR 76 2.952 -0.729 13.010 576 HG1 THR 76 HG1 THR 76 2.156 -2.491 11.447 577 HG21 THR 76 3HG2 THR 76 1.167 0.972 13.366 578 HG22 THR 76 1HG2 THR 76 0.767 -0.555 14.155 579 HG23 THR 76 2HG2 THR 76 -0.013 -0.117 12.633 580 H GLY 77 H GLY 77 0.978 2.065 11.307 581 HA2 GLY 77 1HA GLY 77 1.386 4.191 12.084 582 HA3 GLY 77 2HA GLY 77 3.053 3.738 12.409 583 H VAL 78 H VAL 78 1.786 3.171 9.248 584 HA VAL 78 HA VAL 78 3.452 5.368 8.132 585 HB VAL 78 HB VAL 78 3.632 3.966 6.086 586 HG11 VAL 78 1HG1 VAL 78 4.503 2.502 8.607 587 HG12 VAL 78 2HG1 VAL 78 5.386 3.796 7.792 588 HG13 VAL 78 3HG1 VAL 78 5.153 2.247 6.985 589 HG21 VAL 78 3HG2 VAL 78 1.511 2.704 6.223 590 HG22 VAL 78 1HG2 VAL 78 2.102 1.825 7.639 591 HG23 VAL 78 2HG2 VAL 78 2.880 1.605 6.070 592 H ASP 79 H ASP 79 0.531 5.238 9.011 593 HA ASP 79 HA ASP 79 -1.306 5.235 6.931 594 HB2 ASP 79 1HB ASP 79 -1.437 6.984 9.421 595 HB3 ASP 79 2HB ASP 79 -2.801 6.439 8.462 596 H ASP 80 H ASP 80 0.176 8.054 8.493 597 HA ASP 80 HA ASP 80 -0.762 10.057 6.720 598 HB2 ASP 80 1HB ASP 80 0.016 10.514 9.030 599 HB3 ASP 80 2HB ASP 80 1.656 10.040 8.593 600 H GLU 81 H GLU 81 2.109 8.023 6.758 601 HA GLU 81 HA GLU 81 3.653 9.406 4.808 602 HB2 GLU 81 1HB GLU 81 4.375 7.608 6.600 603 HB3 GLU 81 2HB GLU 81 3.930 6.429 5.374 604 HG2 GLU 81 1HG GLU 81 6.291 6.747 5.215 605 HG3 GLU 81 2HG GLU 81 5.584 7.553 3.817 606 H LEU 82 H LEU 82 1.150 6.946 4.618 607 HA LEU 82 HA LEU 82 1.441 6.211 1.864 608 HB2 LEU 82 1HB LEU 82 -0.939 6.007 3.752 609 HB3 LEU 82 2HB LEU 82 -0.934 5.344 2.124 610 HG LEU 82 HG LEU 82 0.932 4.477 4.358 611 HD11 LEU 82 1HD1 LEU 82 -1.495 3.057 3.246 612 HD12 LEU 82 2HD1 LEU 82 -1.358 3.811 4.836 613 HD13 LEU 82 3HD1 LEU 82 -0.365 2.411 4.441 614 HD21 LEU 82 3HD2 LEU 82 1.975 4.200 2.169 615 HD22 LEU 82 1HD2 LEU 82 0.564 3.311 1.584 616 HD23 LEU 82 2HD2 LEU 82 1.571 2.637 2.869 617 H ASP 83 H ASP 83 -0.561 8.559 3.606 618 HA ASP 83 HA ASP 83 -1.968 9.658 1.427 619 HB2 ASP 83 1HB ASP 83 -2.651 10.197 3.677 620 HB3 ASP 83 2HB ASP 83 -1.070 10.860 4.079 621 H LEU 84 H LEU 84 1.271 10.267 2.653 622 HA LEU 84 HA LEU 84 1.854 12.478 0.903 623 HB2 LEU 84 1HB LEU 84 3.674 10.779 2.639 624 HB3 LEU 84 2HB LEU 84 4.186 12.229 1.787 625 HG LEU 84 HG LEU 84 2.097 12.144 4.007 626 HD11 LEU 84 1HD1 LEU 84 4.324 11.723 4.903 627 HD12 LEU 84 2HD1 LEU 84 3.744 13.313 5.396 628 HD13 LEU 84 3HD1 LEU 84 4.944 13.174 4.107 629 HD21 LEU 84 3HD2 LEU 84 1.586 13.938 2.424 630 HD22 LEU 84 1HD2 LEU 84 3.242 14.545 2.534 631 HD23 LEU 84 2HD2 LEU 84 2.178 14.611 3.939 632 H LEU 85 H LEU 85 1.994 9.010 0.548 633 HA LEU 85 HA LEU 85 3.993 8.859 -1.489 634 HB2 LEU 85 1HB LEU 85 1.683 6.971 -0.906 635 HB3 LEU 85 2HB LEU 85 2.912 6.651 -2.120 636 HG LEU 85 HG LEU 85 3.339 6.814 0.882 637 HD11 LEU 85 1HD1 LEU 85 3.558 4.476 -1.031 638 HD12 LEU 85 2HD1 LEU 85 2.272 4.744 0.145 639 HD13 LEU 85 3HD1 LEU 85 3.916 4.438 0.697 640 HD21 LEU 85 3HD2 LEU 85 5.309 7.769 -0.241 641 HD22 LEU 85 1HD2 LEU 85 5.424 6.343 -1.280 642 HD23 LEU 85 2HD2 LEU 85 5.691 6.197 0.458 643 H GLU 86 H GLU 86 3.869 9.004 -3.671 644 HA GLU 86 HA GLU 86 1.279 9.706 -4.925 645 HB2 GLU 86 1HB GLU 86 2.888 11.639 -4.804 646 HB3 GLU 86 2HB GLU 86 4.048 10.700 -5.736 647 HG2 GLU 86 1HG GLU 86 2.435 10.613 -7.628 648 HG3 GLU 86 2HG GLU 86 1.316 11.617 -6.708 649 H THR 87 H THR 87 4.441 8.037 -5.304 650 HA THR 87 HA THR 87 3.316 6.525 -7.579 651 HB THR 87 HB THR 87 5.682 5.824 -8.098 652 HG1 THR 87 HG1 THR 87 6.895 7.844 -6.768 653 HG21 THR 87 3HG2 THR 87 5.200 8.826 -8.103 654 HG22 THR 87 1HG2 THR 87 4.686 7.689 -9.354 655 HG23 THR 87 2HG2 THR 87 6.405 7.977 -9.073 656 H VAL 88 H VAL 88 3.394 4.364 -7.703 657 HA VAL 88 HA VAL 88 3.108 2.791 -5.372 658 HB VAL 88 HB VAL 88 3.617 1.823 -8.221 659 HG11 VAL 88 1HG1 VAL 88 3.779 0.038 -6.539 660 HG12 VAL 88 2HG1 VAL 88 2.374 -0.199 -7.575 661 HG13 VAL 88 3HG1 VAL 88 2.170 0.434 -5.937 662 HG21 VAL 88 3HG2 VAL 88 1.170 1.806 -8.553 663 HG22 VAL 88 1HG2 VAL 88 1.757 3.438 -8.229 664 HG23 VAL 88 2HG2 VAL 88 0.936 2.528 -6.959 665 H ASP 89 H ASP 89 5.796 3.482 -7.526 666 HA ASP 89 HA ASP 89 7.707 1.610 -6.780 667 HB2 ASP 89 1HB ASP 89 7.936 3.252 -8.646 668 HB3 ASP 89 2HB ASP 89 8.143 4.552 -7.474 669 H GLU 90 H GLU 90 6.994 4.782 -5.310 670 HA GLU 90 HA GLU 90 8.873 4.655 -3.197 671 HB2 GLU 90 1HB GLU 90 6.255 6.206 -3.420 672 HB3 GLU 90 2HB GLU 90 7.404 6.417 -2.105 673 HG2 GLU 90 1HG GLU 90 8.015 6.924 -5.026 674 HG3 GLU 90 2HG GLU 90 7.574 8.161 -3.859 675 H LEU 91 H LEU 91 5.533 3.423 -3.482 676 HA LEU 91 HA LEU 91 5.140 2.665 -0.783 677 HB2 LEU 91 1HB LEU 91 3.261 2.655 -2.302 678 HB3 LEU 91 2HB LEU 91 4.025 1.456 -3.329 679 HG LEU 91 HG LEU 91 3.811 -0.225 -1.462 680 HD11 LEU 91 1HD1 LEU 91 2.144 1.888 -0.061 681 HD12 LEU 91 2HD1 LEU 91 3.717 1.282 0.462 682 HD13 LEU 91 3HD1 LEU 91 2.326 0.201 0.438 683 HD21 LEU 91 3HD2 LEU 91 2.178 -0.178 -3.272 684 HD22 LEU 91 1HD2 LEU 91 1.199 0.996 -2.389 685 HD23 LEU 91 2HD2 LEU 91 1.414 -0.638 -1.753 686 H PHE 92 H PHE 92 6.496 0.745 -3.503 687 HA PHE 92 HA PHE 92 7.005 -1.661 -2.159 688 HB2 PHE 92 1HB PHE 92 8.420 -0.358 -4.515 689 HB3 PHE 92 2HB PHE 92 8.918 -1.928 -3.906 690 HD1 PHE 92 HD2 PHE 92 7.301 -3.874 -3.990 691 HD2 PHE 92 HD1 PHE 92 6.475 -0.180 -5.990 692 HE1 PHE 92 HE2 PHE 92 5.631 -4.982 -5.403 693 HE2 PHE 92 HE1 PHE 92 4.818 -1.324 -7.380 694 HZ PHE 92 HZ PHE 92 4.384 -3.724 -7.095 695 H GLN 93 H GLN 93 9.035 1.205 -2.540 696 HA GLN 93 HA GLN 93 11.318 0.255 -1.180 697 HB2 GLN 93 1HB GLN 93 10.337 3.096 -1.650 698 HB3 GLN 93 2HB GLN 93 11.942 2.682 -1.041 699 HG2 GLN 93 1HG GLN 93 12.453 1.492 -3.131 700 HG3 GLN 93 2HG GLN 93 10.833 1.843 -3.742 701 HE21 GLN 93 2HE2 GLN 93 10.343 3.961 -4.364 702 HE22 GLN 93 1HE2 GLN 93 11.560 5.142 -4.667 703 H LEU 94 H LEU 94 8.585 2.251 -0.078 704 HA LEU 94 HA LEU 94 9.322 2.879 2.516 705 HB2 LEU 94 1HB LEU 94 7.382 3.823 1.286 706 HB3 LEU 94 2HB LEU 94 6.514 2.311 1.420 707 HG LEU 94 HG LEU 94 7.282 3.928 3.896 708 HD11 LEU 94 1HD1 LEU 94 4.722 4.213 2.295 709 HD12 LEU 94 2HD1 LEU 94 6.006 5.416 2.431 710 HD13 LEU 94 3HD1 LEU 94 5.066 4.974 3.853 711 HD21 LEU 94 3HD2 LEU 94 5.357 2.795 4.952 712 HD22 LEU 94 1HD2 LEU 94 6.539 1.629 4.367 713 HD23 LEU 94 2HD2 LEU 94 5.050 1.898 3.462 714 H VAL 95 H VAL 95 7.276 0.158 1.478 715 HA VAL 95 HA VAL 95 6.958 -1.083 3.972 716 HB VAL 95 HB VAL 95 6.781 -2.250 1.150 717 HG11 VAL 95 1HG1 VAL 95 5.798 -3.526 3.737 718 HG12 VAL 95 2HG1 VAL 95 7.118 -4.112 2.726 719 HG13 VAL 95 3HG1 VAL 95 5.468 -4.123 2.105 720 HG21 VAL 95 3HG2 VAL 95 4.337 -1.963 1.451 721 HG22 VAL 95 1HG2 VAL 95 5.193 -0.427 1.590 722 HG23 VAL 95 2HG2 VAL 95 4.611 -1.247 3.041 723 H GLU 96 H GLU 96 9.436 -1.497 1.451 724 HA GLU 96 HA GLU 96 10.768 -3.722 2.626 725 HB2 GLU 96 1HB GLU 96 11.004 -3.198 0.250 726 HB3 GLU 96 2HB GLU 96 11.754 -1.649 0.633 727 HG2 GLU 96 1HG GLU 96 13.732 -2.716 1.491 728 HG3 GLU 96 2HG GLU 96 12.980 -4.306 1.446 729 H LYS 97 H LYS 97 11.166 -0.219 3.032 730 HA LYS 97 HA LYS 97 13.652 -0.266 4.430 731 HB2 LYS 97 1HB LYS 97 11.445 1.847 4.574 732 HB3 LYS 97 2HB LYS 97 13.089 2.053 5.162 733 HG2 LYS 97 1HG LYS 97 12.260 1.698 2.275 734 HG3 LYS 97 2HG LYS 97 12.760 3.201 3.033 735 HD2 LYS 97 1HD LYS 97 15.027 2.248 3.396 736 HD3 LYS 97 2HD LYS 97 14.514 0.752 2.611 737 HE2 LYS 97 1HE LYS 97 15.780 2.197 1.059 738 HE3 LYS 97 2HE LYS 97 14.121 1.965 0.508 739 HZ1 LYS 97 3HZ LYS 97 14.821 4.256 0.287 740 HZ2 LYS 97 1HZ LYS 97 15.150 4.353 1.941 741 HZ3 LYS 97 2HZ LYS 97 13.564 4.139 1.405 742 H HIS 98 H HIS 98 10.261 -0.382 5.461 743 HA HIS 98 HA HIS 98 10.863 -0.459 8.296 744 HB2 HIS 98 1HB HIS 98 8.273 -0.892 6.754 745 HB3 HIS 98 2HB HIS 98 8.380 -0.994 8.511 746 HD1 HIS 98 HD1 HIS 98 8.538 1.223 9.807 747 HD2 HIS 98 HD2 HIS 98 8.516 1.759 5.696 748 HE1 HIS 98 HE1 HIS 98 8.209 3.677 9.454 749 HE2 HIS 98 HE2 HIS 98 8.432 3.989 6.967 750 H ARG 99 H ARG 99 10.527 -2.804 5.745 751 HA ARG 99 HA ARG 99 10.117 -5.123 7.426 752 HB2 ARG 99 1HB ARG 99 9.373 -5.004 5.045 753 HB3 ARG 99 2HB ARG 99 11.051 -4.930 4.526 754 HG2 ARG 99 1HG ARG 99 11.403 -7.217 5.495 755 HG3 ARG 99 2HG ARG 99 9.686 -7.276 5.897 756 HD2 ARG 99 1HD ARG 99 9.142 -7.012 3.478 757 HD3 ARG 99 2HD ARG 99 10.869 -7.053 3.106 758 HE ARG 99 HE ARG 99 9.620 -9.322 4.516 759 HH11 ARG 99 1HH1 ARG 99 11.273 -8.122 1.661 760 HH12 ARG 99 2HH1 ARG 99 11.452 -9.693 0.954 761 HH21 ARG 99 1HH2 ARG 99 9.851 -11.383 3.557 762 HH22 ARG 99 2HH2 ARG 99 10.640 -11.536 2.020 763 H ALA 100 H ALA 100 12.851 -3.371 6.116 764 HA ALA 100 HA ALA 100 14.804 -5.465 6.802 765 HB1 ALA 100 3HB ALA 100 14.935 -4.463 4.544 766 HB2 ALA 100 1HB ALA 100 16.398 -4.129 5.474 767 HB3 ALA 100 2HB ALA 100 15.182 -2.868 5.255 768 H ALA 101 H ALA 101 14.519 -1.909 7.225 769 HA ALA 101 HA ALA 101 16.446 -2.017 9.466 770 HB1 ALA 101 3HB ALA 101 16.880 0.346 8.972 771 HB2 ALA 101 1HB ALA 101 15.616 0.333 7.736 772 HB3 ALA 101 2HB ALA 101 17.071 -0.640 7.520 773 H GLY 102 H GLY 102 13.107 -1.704 8.981 774 HA2 GLY 102 1HA GLY 102 12.651 0.167 11.246 775 HA3 GLY 102 2HA GLY 102 11.471 -0.338 10.047 776 H SER 103 H SER 103 13.653 -2.289 12.040 777 HA SER 103 HA SER 103 11.508 -4.066 12.858 778 HB2 SER 103 1HB SER 103 14.466 -4.129 13.605 779 HB3 SER 103 2HB SER 103 13.296 -5.428 13.837 780 HG SER 103 HG SER 103 13.014 -5.265 11.454 Start of MODEL 12 1 H1 MET 1 1H MET 1 -3.180 -21.322 -62.498 2 H2 MET 1 2H MET 1 -2.632 -22.248 -61.195 3 H3 MET 1 3H MET 1 -3.684 -20.954 -60.925 4 HA MET 1 HA MET 1 -5.440 -22.047 -62.082 5 HB2 MET 1 1HB MET 1 -3.961 -23.260 -63.698 6 HB3 MET 1 2HB MET 1 -3.459 -24.349 -62.414 7 HG2 MET 1 1HG MET 1 -5.806 -25.142 -62.211 8 HG3 MET 1 2HG MET 1 -6.257 -24.090 -63.552 9 HE1 MET 1 3HE MET 1 -4.233 -25.744 -66.528 10 HE2 MET 1 1HE MET 1 -3.686 -24.411 -65.516 11 HE3 MET 1 2HE MET 1 -5.354 -24.455 -66.088 12 H GLY 2 H GLY 2 -6.634 -22.170 -60.253 13 HA2 GLY 2 1HA GLY 2 -7.608 -23.486 -58.529 14 HA3 GLY 2 2HA GLY 2 -6.054 -24.258 -58.236 15 H SER 3 H SER 3 -5.301 -23.675 -56.271 16 HA SER 3 HA SER 3 -5.326 -20.849 -55.423 17 HB2 SER 3 1HB SER 3 -6.167 -23.194 -53.646 18 HB3 SER 3 2HB SER 3 -6.014 -21.513 -53.126 19 HG SER 3 HG SER 3 -7.823 -22.560 -55.041 20 H SER 4 H SER 4 -3.136 -20.578 -55.689 21 HA SER 4 HA SER 4 -1.164 -22.411 -54.623 22 HB2 SER 4 1HB SER 4 0.465 -20.615 -55.325 23 HB3 SER 4 2HB SER 4 -0.599 -21.130 -56.632 24 HG SER 4 HG SER 4 -0.991 -18.820 -55.019 25 H HIS 5 H HIS 5 -0.819 -22.515 -52.491 26 HA HIS 5 HA HIS 5 -1.458 -20.314 -50.676 27 HB2 HIS 5 1HB HIS 5 -0.449 -23.134 -50.086 28 HB3 HIS 5 2HB HIS 5 -0.956 -21.957 -48.879 29 HD1 HIS 5 HD1 HIS 5 -2.448 -23.826 -51.840 30 HD2 HIS 5 HD2 HIS 5 -3.589 -22.152 -48.214 31 HE1 HIS 5 HE1 HIS 5 -4.847 -24.459 -51.534 32 HE2 HIS 5 HE2 HIS 5 -5.471 -23.561 -49.260 33 H ASP 6 H ASP 6 1.330 -22.484 -50.191 34 HA ASP 6 HA ASP 6 3.573 -22.233 -50.131 35 HB2 ASP 6 1HB ASP 6 3.047 -20.113 -52.264 36 HB3 ASP 6 2HB ASP 6 4.625 -20.819 -51.921 37 H HIS 7 H HIS 7 1.882 -20.450 -48.382 38 HA HIS 7 HA HIS 7 3.813 -18.271 -47.809 39 HB2 HIS 7 1HB HIS 7 0.854 -18.433 -47.081 40 HB3 HIS 7 2HB HIS 7 1.928 -17.088 -46.704 41 HD1 HIS 7 HD1 HIS 7 -0.741 -17.160 -48.552 42 HD2 HIS 7 HD2 HIS 7 3.198 -16.844 -49.829 43 HE1 HIS 7 HE1 HIS 7 -0.853 -16.114 -50.816 44 HE2 HIS 7 HE2 HIS 7 1.508 -16.190 -51.668 45 H HIS 8 H HIS 8 3.677 -17.621 -45.428 46 HA HIS 8 HA HIS 8 3.303 -19.777 -43.510 47 HB2 HIS 8 1HB HIS 8 5.598 -19.598 -42.605 48 HB3 HIS 8 2HB HIS 8 5.644 -20.115 -44.283 49 HD1 HIS 8 HD1 HIS 8 6.862 -17.490 -42.010 50 HD2 HIS 8 HD2 HIS 8 6.548 -18.044 -46.117 51 HE1 HIS 8 HE1 HIS 8 8.302 -15.719 -43.044 52 HE2 HIS 8 HE2 HIS 8 8.005 -16.001 -45.517 53 H HIS 9 H HIS 9 2.590 -18.953 -41.605 54 HA HIS 9 HA HIS 9 2.074 -16.085 -41.454 55 HB2 HIS 9 1HB HIS 9 1.176 -18.379 -39.659 56 HB3 HIS 9 2HB HIS 9 0.629 -16.711 -39.511 57 HD1 HIS 9 HD1 HIS 9 -0.714 -19.680 -40.569 58 HD2 HIS 9 HD2 HIS 9 -0.333 -16.007 -42.473 59 HE1 HIS 9 HE1 HIS 9 -2.491 -19.650 -42.337 60 HE2 HIS 9 HE2 HIS 9 -2.128 -17.493 -43.582 61 H HIS 10 H HIS 10 4.341 -18.335 -40.163 62 HA HIS 10 HA HIS 10 5.968 -18.317 -38.616 63 HB2 HIS 10 1HB HIS 10 6.805 -16.341 -39.800 64 HB3 HIS 10 2HB HIS 10 5.711 -15.295 -38.907 65 HD1 HIS 10 HD1 HIS 10 6.841 -14.055 -37.087 66 HD2 HIS 10 HD2 HIS 10 8.718 -17.691 -37.823 67 HE1 HIS 10 HE1 HIS 10 8.788 -14.142 -35.515 68 HE2 HIS 10 HE2 HIS 10 10.005 -16.259 -36.103 69 H SER 11 H SER 11 4.740 -19.338 -37.023 70 HA SER 11 HA SER 11 3.093 -17.866 -35.152 71 HB2 SER 11 1HB SER 11 2.812 -20.146 -34.094 72 HB3 SER 11 2HB SER 11 2.412 -20.116 -35.810 73 HG SER 11 HG SER 11 4.588 -21.294 -34.498 74 H SER 12 H SER 12 4.819 -16.404 -34.527 75 HA SER 12 HA SER 12 5.924 -16.865 -31.989 76 HB2 SER 12 1HB SER 12 7.619 -18.232 -33.217 77 HB3 SER 12 2HB SER 12 8.001 -16.846 -34.237 78 HG SER 12 HG SER 12 8.659 -17.349 -31.571 79 H GLY 13 H GLY 13 7.153 -14.937 -31.244 80 HA2 GLY 13 1HA GLY 13 7.747 -12.660 -32.696 81 HA3 GLY 13 2HA GLY 13 6.055 -12.489 -32.239 82 H ARG 14 H ARG 14 5.598 -12.931 -29.874 83 HA ARG 14 HA ARG 14 7.692 -11.762 -28.140 84 HB2 ARG 14 1HB ARG 14 4.826 -10.791 -28.465 85 HB3 ARG 14 2HB ARG 14 5.826 -10.360 -27.079 86 HG2 ARG 14 1HG ARG 14 7.438 -9.251 -28.557 87 HG3 ARG 14 2HG ARG 14 6.486 -9.710 -29.971 88 HD2 ARG 14 1HD ARG 14 6.078 -7.372 -29.355 89 HD3 ARG 14 2HD ARG 14 4.611 -8.333 -29.160 90 HE ARG 14 HE ARG 14 5.768 -8.345 -26.675 91 HH11 ARG 14 1HH1 ARG 14 4.799 -5.756 -28.859 92 HH12 ARG 14 2HH1 ARG 14 4.350 -4.688 -27.568 93 HH21 ARG 14 1HH2 ARG 14 5.193 -6.915 -25.016 94 HH22 ARG 14 2HH2 ARG 14 4.593 -5.334 -25.400 95 H GLU 15 H GLU 15 7.378 -12.086 -25.891 96 HA GLU 15 HA GLU 15 5.437 -13.936 -24.855 97 HB2 GLU 15 1HB GLU 15 7.229 -15.621 -24.092 98 HB3 GLU 15 2HB GLU 15 6.795 -15.668 -25.795 99 HG2 GLU 15 1HG GLU 15 8.836 -14.498 -26.413 100 HG3 GLU 15 2HG GLU 15 9.254 -14.245 -24.721 101 H ASN 16 H ASN 16 5.028 -12.158 -23.480 102 HA ASN 16 HA ASN 16 6.970 -11.053 -21.680 103 HB2 ASN 16 1HB ASN 16 4.922 -9.802 -22.223 104 HB3 ASN 16 2HB ASN 16 3.919 -11.079 -21.541 105 HD21 ASN 16 2HD2 ASN 16 2.944 -9.678 -20.046 106 HD22 ASN 16 1HD2 ASN 16 3.790 -9.046 -18.680 107 H LEU 17 H LEU 17 4.223 -13.250 -21.132 108 HA LEU 17 HA LEU 17 5.794 -14.760 -19.111 109 HB2 LEU 17 1HB LEU 17 3.930 -13.524 -18.017 110 HB3 LEU 17 2HB LEU 17 2.783 -14.236 -19.139 111 HG LEU 17 HG LEU 17 3.312 -16.507 -18.182 112 HD11 LEU 17 1HD1 LEU 17 4.507 -16.688 -16.041 113 HD12 LEU 17 2HD1 LEU 17 4.931 -14.978 -16.118 114 HD13 LEU 17 3HD1 LEU 17 5.564 -16.104 -17.324 115 HD21 LEU 17 3HD2 LEU 17 2.044 -16.225 -16.094 116 HD22 LEU 17 1HD2 LEU 17 1.334 -15.284 -17.405 117 HD23 LEU 17 2HD2 LEU 17 2.294 -14.480 -16.160 118 H TYR 18 H TYR 18 3.304 -14.769 -21.608 119 HA TYR 18 HA TYR 18 2.675 -16.180 -23.226 120 HB2 TYR 18 1HB TYR 18 5.257 -16.389 -23.457 121 HB3 TYR 18 2HB TYR 18 5.095 -17.933 -22.629 122 HD1 TYR 18 HD2 TYR 18 3.912 -16.052 -25.656 123 HD2 TYR 18 HD1 TYR 18 4.582 -19.902 -23.913 124 HE1 TYR 18 HE2 TYR 18 3.400 -17.123 -27.811 125 HE2 TYR 18 HE1 TYR 18 4.067 -20.966 -26.064 126 HH TYR 18 HH TYR 18 3.841 -19.236 -28.978 127 H PHE 19 H PHE 19 1.970 -16.548 -20.354 128 HA PHE 19 HA PHE 19 0.802 -17.845 -18.932 129 HB2 PHE 19 1HB PHE 19 0.165 -19.507 -21.414 130 HB3 PHE 19 2HB PHE 19 -0.688 -19.623 -19.879 131 HD1 PHE 19 HD2 PHE 19 -1.950 -17.540 -19.037 132 HD2 PHE 19 HD1 PHE 19 -0.511 -17.892 -23.050 133 HE1 PHE 19 HE2 PHE 19 -3.492 -15.766 -19.754 134 HE2 PHE 19 HE1 PHE 19 -2.054 -16.114 -23.755 135 HZ PHE 19 HZ PHE 19 -3.548 -15.049 -22.110 136 H GLN 20 H GLN 20 3.654 -18.414 -19.420 137 HA GLN 20 HA GLN 20 4.012 -21.287 -19.163 138 HB2 GLN 20 1HB GLN 20 5.546 -19.676 -20.449 139 HB3 GLN 20 2HB GLN 20 6.135 -19.107 -18.897 140 HG2 GLN 20 1HG GLN 20 6.319 -22.006 -19.797 141 HG3 GLN 20 2HG GLN 20 7.567 -20.823 -20.133 142 HE21 GLN 20 2HE2 GLN 20 8.793 -19.991 -18.365 143 HE22 GLN 20 1HE2 GLN 20 8.905 -20.847 -16.868 144 H GLY 21 H GLY 21 3.120 -21.938 -17.273 145 HA2 GLY 21 1HA GLY 21 3.258 -22.647 -15.102 146 HA3 GLY 21 2HA GLY 21 4.695 -21.657 -14.887 147 H HIS 22 H HIS 22 4.507 -19.651 -13.939 148 HA HIS 22 HA HIS 22 1.881 -18.538 -13.231 149 HB2 HIS 22 1HB HIS 22 3.883 -19.545 -11.153 150 HB3 HIS 22 2HB HIS 22 2.638 -18.365 -10.761 151 HD1 HIS 22 HD1 HIS 22 3.189 -21.694 -10.142 152 HD2 HIS 22 HD2 HIS 22 -0.023 -19.703 -11.878 153 HE1 HIS 22 HE1 HIS 22 1.215 -23.215 -9.864 154 HE2 HIS 22 HE2 HIS 22 -0.677 -22.051 -11.033 155 H MET 23 H MET 23 2.121 -16.473 -12.029 156 HA MET 23 HA MET 23 4.236 -14.775 -13.108 157 HB2 MET 23 1HB MET 23 1.896 -14.099 -11.252 158 HB3 MET 23 2HB MET 23 2.939 -12.929 -12.053 159 HG2 MET 23 1HG MET 23 2.090 -13.635 -14.238 160 HG3 MET 23 2HG MET 23 1.085 -14.862 -13.470 161 HE1 MET 23 3HE MET 23 -1.520 -12.638 -11.511 162 HE2 MET 23 1HE MET 23 -0.002 -13.264 -10.868 163 HE3 MET 23 2HE MET 23 -1.013 -14.284 -11.892 164 HA PRO 24 HA PRO 24 6.742 -14.890 -9.281 165 HB2 PRO 24 1HB PRO 24 7.869 -12.373 -9.296 166 HB3 PRO 24 2HB PRO 24 8.408 -13.682 -10.353 167 HG2 PRO 24 1HG PRO 24 6.533 -11.402 -10.974 168 HG3 PRO 24 2HG PRO 24 7.882 -12.038 -11.938 169 HD2 PRO 24 1HD PRO 24 5.314 -12.703 -12.487 170 HD3 PRO 24 2HD PRO 24 6.640 -13.865 -12.710 171 H ASN 25 H ASN 25 4.870 -15.090 -7.958 172 HA ASN 25 HA ASN 25 3.489 -12.712 -6.993 173 HB2 ASN 25 1HB ASN 25 1.986 -14.401 -5.829 174 HB3 ASN 25 2HB ASN 25 2.006 -14.480 -7.582 175 HD21 ASN 25 2HD2 ASN 25 2.920 -16.109 -4.633 176 HD22 ASN 25 1HD2 ASN 25 3.274 -17.639 -5.354 177 H ASP 26 H ASP 26 4.952 -11.652 -5.702 178 HA ASP 26 HA ASP 26 4.995 -12.454 -2.965 179 HB2 ASP 26 1HB ASP 26 6.916 -13.817 -3.749 180 HB3 ASP 26 2HB ASP 26 7.709 -12.371 -4.367 181 H MET 27 H MET 27 5.412 -10.822 -1.570 182 HA MET 27 HA MET 27 5.004 -8.745 -0.820 183 HB2 MET 27 1HB MET 27 7.604 -9.060 -1.010 184 HB3 MET 27 2HB MET 27 7.502 -7.837 -2.267 185 HG2 MET 27 1HG MET 27 6.666 -7.503 0.631 186 HG3 MET 27 2HG MET 27 8.098 -6.827 -0.128 187 HE1 MET 27 3HE MET 27 6.771 -3.799 -2.104 188 HE2 MET 27 1HE MET 27 7.461 -5.322 -2.663 189 HE3 MET 27 2HE MET 27 8.161 -4.489 -1.270 190 H GLU 28 H GLU 28 6.524 -7.664 -3.875 191 HA GLU 28 HA GLU 28 4.978 -5.387 -4.247 192 HB2 GLU 28 1HB GLU 28 6.352 -7.071 -6.385 193 HB3 GLU 28 2HB GLU 28 5.694 -5.456 -6.656 194 HG2 GLU 28 1HG GLU 28 7.299 -4.652 -4.824 195 HG3 GLU 28 2HG GLU 28 8.065 -6.235 -4.938 196 H ASP 29 H ASP 29 4.532 -8.620 -5.630 197 HA ASP 29 HA ASP 29 2.393 -8.131 -7.350 198 HB2 ASP 29 1HB ASP 29 3.651 -10.208 -7.467 199 HB3 ASP 29 2HB ASP 29 3.165 -10.648 -5.835 200 H HIS 30 H HIS 30 2.312 -9.166 -3.920 201 HA HIS 30 HA HIS 30 -0.551 -9.184 -3.782 202 HB2 HIS 30 1HB HIS 30 0.938 -10.575 -2.255 203 HB3 HIS 30 2HB HIS 30 1.346 -9.093 -1.390 204 HD1 HIS 30 HD1 HIS 30 -1.611 -11.320 -2.167 205 HD2 HIS 30 HD2 HIS 30 -0.575 -8.270 0.452 206 HE1 HIS 30 HE1 HIS 30 -3.535 -11.119 -0.560 207 HE2 HIS 30 HE2 HIS 30 -2.929 -9.192 0.931 208 H LEU 31 H LEU 31 1.914 -6.762 -3.322 209 HA LEU 31 HA LEU 31 0.382 -4.832 -1.892 210 HB2 LEU 31 1HB LEU 31 2.925 -4.946 -2.149 211 HB3 LEU 31 2HB LEU 31 2.728 -4.326 -3.770 212 HG LEU 31 HG LEU 31 3.478 -2.631 -2.048 213 HD11 LEU 31 1HD1 LEU 31 0.861 -1.900 -3.378 214 HD12 LEU 31 2HD1 LEU 31 2.445 -1.886 -4.153 215 HD13 LEU 31 3HD1 LEU 31 2.116 -0.795 -2.816 216 HD21 LEU 31 3HD2 LEU 31 0.661 -2.895 -0.954 217 HD22 LEU 31 1HD2 LEU 31 1.869 -1.708 -0.459 218 HD23 LEU 31 2HD2 LEU 31 2.142 -3.419 -0.147 219 H LEU 32 H LEU 32 0.923 -5.446 -5.386 220 HA LEU 32 HA LEU 32 -0.762 -3.433 -6.413 221 HB2 LEU 32 1HB LEU 32 0.021 -6.138 -7.544 222 HB3 LEU 32 2HB LEU 32 -1.134 -5.127 -8.380 223 HG LEU 32 HG LEU 32 0.717 -4.511 -9.557 224 HD11 LEU 32 1HD1 LEU 32 1.111 -2.665 -7.201 225 HD12 LEU 32 2HD1 LEU 32 -0.063 -2.463 -8.502 226 HD13 LEU 32 3HD1 LEU 32 1.657 -2.403 -8.861 227 HD21 LEU 32 3HD2 LEU 32 3.029 -4.546 -8.840 228 HD22 LEU 32 1HD2 LEU 32 2.248 -6.071 -8.427 229 HD23 LEU 32 2HD2 LEU 32 2.543 -4.865 -7.174 230 H THR 33 H THR 33 -1.453 -6.727 -5.268 231 HA THR 33 HA THR 33 -4.189 -6.871 -5.931 232 HB THR 33 HB THR 33 -2.797 -8.275 -3.610 233 HG1 THR 33 HG1 THR 33 -2.561 -9.978 -5.229 234 HG21 THR 33 3HG2 THR 33 -5.277 -9.076 -5.191 235 HG22 THR 33 1HG2 THR 33 -5.264 -8.502 -3.522 236 HG23 THR 33 2HG2 THR 33 -4.506 -10.042 -3.931 237 H VAL 34 H VAL 34 -2.520 -5.602 -3.067 238 HA VAL 34 HA VAL 34 -4.780 -5.126 -1.425 239 HB VAL 34 HB VAL 34 -2.050 -3.742 -1.458 240 HG11 VAL 34 1HG1 VAL 34 -3.659 -2.186 -0.456 241 HG12 VAL 34 2HG1 VAL 34 -2.602 -2.837 0.796 242 HG13 VAL 34 3HG1 VAL 34 -4.252 -3.447 0.629 243 HG21 VAL 34 3HG2 VAL 34 -1.978 -6.130 -0.838 244 HG22 VAL 34 1HG2 VAL 34 -3.176 -5.859 0.428 245 HG23 VAL 34 2HG2 VAL 34 -1.578 -5.117 0.544 246 H LEU 35 H LEU 35 -3.010 -2.984 -3.683 247 HA LEU 35 HA LEU 35 -4.646 -0.706 -3.309 248 HB2 LEU 35 1HB LEU 35 -2.915 -1.442 -5.693 249 HB3 LEU 35 2HB LEU 35 -3.593 0.149 -5.388 250 HG LEU 35 HG LEU 35 -1.564 -1.238 -3.589 251 HD11 LEU 35 1HD1 LEU 35 0.065 0.377 -4.443 252 HD12 LEU 35 2HD1 LEU 35 -1.137 1.026 -5.561 253 HD13 LEU 35 3HD1 LEU 35 -0.565 -0.637 -5.738 254 HD21 LEU 35 3HD2 LEU 35 -1.376 0.938 -2.448 255 HD22 LEU 35 1HD2 LEU 35 -3.009 0.290 -2.320 256 HD23 LEU 35 2HD2 LEU 35 -2.664 1.597 -3.458 257 H SER 36 H SER 36 -4.812 -3.374 -5.656 258 HA SER 36 HA SER 36 -6.668 -2.226 -7.440 259 HB2 SER 36 1HB SER 36 -6.875 -4.540 -8.331 260 HB3 SER 36 2HB SER 36 -5.198 -4.061 -8.101 261 HG SER 36 HG SER 36 -6.689 -5.987 -6.793 262 H VAL 37 H VAL 37 -7.063 -4.371 -4.656 263 HA VAL 37 HA VAL 37 -9.927 -4.591 -4.826 264 HB VAL 37 HB VAL 37 -7.989 -5.209 -2.540 265 HG11 VAL 37 1HG1 VAL 37 -10.224 -4.848 -1.599 266 HG12 VAL 37 2HG1 VAL 37 -9.804 -6.557 -1.521 267 HG13 VAL 37 3HG1 VAL 37 -10.929 -5.980 -2.755 268 HG21 VAL 37 3HG2 VAL 37 -9.324 -7.083 -4.542 269 HG22 VAL 37 1HG2 VAL 37 -8.258 -7.569 -3.219 270 HG23 VAL 37 2HG2 VAL 37 -7.628 -6.597 -4.546 271 H ALA 38 H ALA 38 -7.666 -2.377 -3.296 272 HA ALA 38 HA ALA 38 -9.670 -1.048 -1.649 273 HB1 ALA 38 3HB ALA 38 -7.395 -1.328 -0.782 274 HB2 ALA 38 1HB ALA 38 -7.799 0.387 -0.921 275 HB3 ALA 38 2HB ALA 38 -6.753 -0.373 -2.124 276 H SER 39 H SER 39 -8.790 -0.817 -4.908 277 HA SER 39 HA SER 39 -9.649 2.022 -5.141 278 HB2 SER 39 1HB SER 39 -8.068 0.350 -7.150 279 HB3 SER 39 2HB SER 39 -8.476 2.063 -7.306 280 HG SER 39 HG SER 39 -7.070 1.154 -5.060 281 H GLY 40 H GLY 40 -9.746 -1.044 -6.952 282 HA2 GLY 40 1HA GLY 40 -12.107 -1.830 -7.494 283 HA3 GLY 40 2HA GLY 40 -12.299 -0.246 -8.232 284 H VAL 41 H VAL 41 -9.547 -0.168 -9.258 285 HA VAL 41 HA VAL 41 -9.989 -1.430 -11.791 286 HB VAL 41 HB VAL 41 -7.803 -0.481 -12.442 287 HG11 VAL 41 1HG1 VAL 41 -9.452 1.539 -10.890 288 HG12 VAL 41 2HG1 VAL 41 -9.758 0.996 -12.540 289 HG13 VAL 41 3HG1 VAL 41 -8.294 1.906 -12.175 290 HG21 VAL 41 3HG2 VAL 41 -7.494 0.340 -9.529 291 HG22 VAL 41 1HG2 VAL 41 -6.429 0.835 -10.850 292 HG23 VAL 41 2HG2 VAL 41 -6.525 -0.862 -10.385 293 HA PRO 42 HA PRO 42 -7.652 -5.356 -11.361 294 HB2 PRO 42 1HB PRO 42 -6.415 -4.486 -13.982 295 HB3 PRO 42 2HB PRO 42 -7.107 -6.054 -13.532 296 HG2 PRO 42 1HG PRO 42 -8.504 -4.399 -15.073 297 HG3 PRO 42 2HG PRO 42 -9.324 -5.286 -13.765 298 HD2 PRO 42 1HD PRO 42 -8.446 -2.401 -13.844 299 HD3 PRO 42 2HD PRO 42 -9.938 -3.107 -13.180 300 H LYS 43 H LYS 43 -5.557 -6.061 -10.867 301 HA LYS 43 HA LYS 43 -3.771 -4.138 -9.727 302 HB2 LYS 43 1HB LYS 43 -2.411 -6.096 -9.077 303 HB3 LYS 43 2HB LYS 43 -4.110 -6.334 -8.695 304 HG2 LYS 43 1HG LYS 43 -4.366 -7.772 -10.688 305 HG3 LYS 43 2HG LYS 43 -2.661 -7.541 -11.078 306 HD2 LYS 43 1HD LYS 43 -3.749 -8.881 -8.568 307 HD3 LYS 43 2HD LYS 43 -3.057 -9.712 -9.962 308 HE2 LYS 43 1HE LYS 43 -0.883 -8.638 -9.534 309 HE3 LYS 43 2HE LYS 43 -1.565 -7.782 -8.147 310 HZ1 LYS 43 3HZ LYS 43 -0.419 -9.682 -7.363 311 HZ2 LYS 43 1HZ LYS 43 -1.213 -10.709 -8.444 312 HZ3 LYS 43 2HZ LYS 43 -2.070 -9.985 -7.180 313 H GLU 44 H GLU 44 -3.927 -5.698 -12.824 314 HA GLU 44 HA GLU 44 -1.198 -5.330 -13.626 315 HB2 GLU 44 1HB GLU 44 -2.827 -7.006 -14.619 316 HB3 GLU 44 2HB GLU 44 -3.655 -5.667 -15.403 317 HG2 GLU 44 1HG GLU 44 -1.602 -5.151 -16.687 318 HG3 GLU 44 2HG GLU 44 -0.764 -6.483 -15.898 319 H GLU 45 H GLU 45 -4.044 -3.315 -13.582 320 HA GLU 45 HA GLU 45 -3.149 -1.277 -15.391 321 HB2 GLU 45 1HB GLU 45 -5.277 -1.172 -13.200 322 HB3 GLU 45 2HB GLU 45 -5.022 0.080 -14.411 323 HG2 GLU 45 1HG GLU 45 -5.957 -2.762 -14.892 324 HG3 GLU 45 2HG GLU 45 -6.911 -1.285 -15.046 325 H ILE 46 H ILE 46 -2.351 -2.072 -12.170 326 HA ILE 46 HA ILE 46 -1.381 0.638 -11.511 327 HB ILE 46 HB ILE 46 -1.581 -1.792 -9.668 328 HG12 ILE 46 1HG1 ILE 46 -3.605 0.487 -9.999 329 HG13 ILE 46 2HG1 ILE 46 -3.843 -1.171 -10.539 330 HG21 ILE 46 1HG2 ILE 46 -0.001 -0.068 -8.889 331 HG22 ILE 46 2HG2 ILE 46 -1.414 -0.122 -7.839 332 HG23 ILE 46 3HG2 ILE 46 -1.248 1.173 -9.027 333 HD11 ILE 46 3HD1 ILE 46 -3.758 -1.925 -8.211 334 HD12 ILE 46 1HD1 ILE 46 -5.039 -0.752 -8.507 335 HD13 ILE 46 2HD1 ILE 46 -3.562 -0.248 -7.690 336 H SER 47 H SER 47 0.694 1.032 -11.770 337 HA SER 47 HA SER 47 2.757 -1.049 -11.388 338 HB2 SER 47 1HB SER 47 2.417 -0.679 -13.846 339 HB3 SER 47 2HB SER 47 2.739 1.039 -13.627 340 HG SER 47 HG SER 47 4.626 0.061 -14.296 341 H ARG 48 H ARG 48 5.000 0.389 -11.479 342 HA ARG 48 HA ARG 48 5.061 1.539 -8.917 343 HB2 ARG 48 1HB ARG 48 7.121 1.544 -11.164 344 HB3 ARG 48 2HB ARG 48 7.456 2.238 -9.588 345 HG2 ARG 48 1HG ARG 48 8.439 0.075 -9.581 346 HG3 ARG 48 2HG ARG 48 6.996 -0.039 -8.580 347 HD2 ARG 48 1HD ARG 48 5.802 -0.966 -10.647 348 HD3 ARG 48 2HD ARG 48 7.400 -1.087 -11.390 349 HE ARG 48 HE ARG 48 7.325 -2.378 -8.837 350 HH11 ARG 48 1HH1 ARG 48 6.560 -2.879 -12.242 351 HH12 ARG 48 2HH1 ARG 48 6.449 -4.599 -12.077 352 HH21 ARG 48 1HH2 ARG 48 7.165 -4.639 -8.664 353 HH22 ARG 48 2HH2 ARG 48 6.806 -5.597 -10.068 354 H ASP 49 H ASP 49 5.476 3.141 -12.089 355 HA ASP 49 HA ASP 49 5.363 5.807 -10.864 356 HB2 ASP 49 1HB ASP 49 5.988 6.615 -13.139 357 HB3 ASP 49 2HB ASP 49 7.117 5.426 -12.504 358 H SER 50 H SER 50 2.994 3.717 -11.734 359 HA SER 50 HA SER 50 1.269 5.354 -13.354 360 HB2 SER 50 1HB SER 50 0.600 2.896 -11.691 361 HB3 SER 50 2HB SER 50 -0.455 3.631 -12.899 362 HG SER 50 HG SER 50 1.458 3.273 -14.342 363 H ARG 51 H ARG 51 2.171 5.777 -10.219 364 HA ARG 51 HA ARG 51 1.520 7.048 -8.508 365 HB2 ARG 51 1HB ARG 51 -0.592 8.048 -10.454 366 HB3 ARG 51 2HB ARG 51 -0.425 8.690 -8.823 367 HG2 ARG 51 1HG ARG 51 1.928 9.346 -9.386 368 HG3 ARG 51 2HG ARG 51 1.632 8.841 -11.050 369 HD2 ARG 51 1HD ARG 51 -0.080 10.530 -11.313 370 HD3 ARG 51 2HD ARG 51 0.007 10.961 -9.598 371 HE ARG 51 HE ARG 51 2.300 11.306 -11.443 372 HH11 ARG 51 1HH1 ARG 51 0.119 12.672 -9.042 373 HH12 ARG 51 2HH1 ARG 51 1.025 14.141 -8.896 374 HH21 ARG 51 1HH2 ARG 51 3.482 13.242 -11.204 375 HH22 ARG 51 2HH2 ARG 51 2.922 14.454 -10.095 376 H MET 52 H MET 52 -0.256 7.452 -6.926 377 HA MET 52 HA MET 52 -2.373 5.380 -6.909 378 HB2 MET 52 1HB MET 52 -0.875 6.699 -4.610 379 HB3 MET 52 2HB MET 52 -2.374 5.810 -4.375 380 HG2 MET 52 1HG MET 52 -1.301 3.779 -5.258 381 HG3 MET 52 2HG MET 52 0.213 4.666 -5.451 382 HE1 MET 52 3HE MET 52 1.180 5.435 -1.749 383 HE2 MET 52 1HE MET 52 0.285 6.492 -2.840 384 HE3 MET 52 2HE MET 52 1.659 5.562 -3.444 385 H GLU 53 H GLU 53 -2.415 7.896 -8.293 386 HA GLU 53 HA GLU 53 -3.439 10.069 -6.863 387 HB2 GLU 53 1HB GLU 53 -2.433 9.951 -9.271 388 HB3 GLU 53 2HB GLU 53 -4.055 9.529 -9.800 389 HG2 GLU 53 1HG GLU 53 -3.683 11.892 -10.141 390 HG3 GLU 53 2HG GLU 53 -4.895 11.674 -8.876 391 H ASP 54 H ASP 54 -5.187 7.778 -8.974 392 HA ASP 54 HA ASP 54 -7.776 8.422 -7.691 393 HB2 ASP 54 1HB ASP 54 -7.161 6.898 -10.271 394 HB3 ASP 54 2HB ASP 54 -8.777 7.231 -9.656 395 H LEU 55 H LEU 55 -5.513 6.603 -6.636 396 HA LEU 55 HA LEU 55 -6.948 4.004 -6.575 397 HB2 LEU 55 1HB LEU 55 -3.950 4.443 -6.355 398 HB3 LEU 55 2HB LEU 55 -4.771 2.890 -6.345 399 HG LEU 55 HG LEU 55 -4.626 4.805 -8.708 400 HD11 LEU 55 1HD1 LEU 55 -3.210 3.130 -9.771 401 HD12 LEU 55 2HD1 LEU 55 -3.285 2.113 -8.331 402 HD13 LEU 55 3HD1 LEU 55 -2.484 3.683 -8.265 403 HD21 LEU 55 3HD2 LEU 55 -5.712 3.029 -10.016 404 HD22 LEU 55 1HD2 LEU 55 -6.759 3.590 -8.713 405 HD23 LEU 55 2HD2 LEU 55 -5.903 2.051 -8.557 406 H ALA 56 H ALA 56 -4.403 5.644 -4.622 407 HA ALA 56 HA ALA 56 -5.693 4.538 -2.202 408 HB1 ALA 56 3HB ALA 56 -3.495 3.548 -2.686 409 HB2 ALA 56 1HB ALA 56 -3.495 4.429 -1.158 410 HB3 ALA 56 2HB ALA 56 -2.752 5.144 -2.592 411 H PHE 57 H PHE 57 -4.711 7.472 -3.726 412 HA PHE 57 HA PHE 57 -4.265 9.053 -1.394 413 HB2 PHE 57 1HB PHE 57 -3.287 9.623 -3.628 414 HB3 PHE 57 2HB PHE 57 -4.900 9.989 -4.231 415 HD1 PHE 57 HD1 PHE 57 -2.545 10.956 -1.459 416 HD2 PHE 57 HD2 PHE 57 -5.645 12.238 -4.115 417 HE1 PHE 57 HE1 PHE 57 -2.306 13.262 -0.637 418 HE2 PHE 57 HE2 PHE 57 -5.389 14.544 -3.293 419 HZ PHE 57 HZ PHE 57 -3.723 15.057 -1.551 420 H ASP 58 H ASP 58 -5.957 8.799 -0.050 421 HA ASP 58 HA ASP 58 -8.237 10.439 -0.123 422 HB2 ASP 58 1HB ASP 58 -9.184 8.857 -1.748 423 HB3 ASP 58 2HB ASP 58 -8.714 7.484 -0.757 424 H SER 59 H SER 59 -9.273 10.394 1.970 425 HA SER 59 HA SER 59 -7.645 9.740 4.145 426 HB2 SER 59 1HB SER 59 -10.661 10.194 4.182 427 HB3 SER 59 2HB SER 59 -9.561 10.379 5.550 428 HG SER 59 HG SER 59 -8.471 11.992 4.184 429 H LEU 60 H LEU 60 -10.452 7.984 2.847 430 HA LEU 60 HA LEU 60 -10.510 6.029 4.950 431 HB2 LEU 60 1HB LEU 60 -11.955 6.129 2.269 432 HB3 LEU 60 2HB LEU 60 -12.197 4.862 3.460 433 HG LEU 60 HG LEU 60 -13.016 6.631 5.087 434 HD11 LEU 60 1HD1 LEU 60 -12.014 8.633 4.091 435 HD12 LEU 60 2HD1 LEU 60 -13.759 8.805 4.256 436 HD13 LEU 60 3HD1 LEU 60 -13.054 8.466 2.673 437 HD21 LEU 60 3HD2 LEU 60 -14.578 5.195 3.847 438 HD22 LEU 60 1HD2 LEU 60 -14.622 6.361 2.522 439 HD23 LEU 60 2HD2 LEU 60 -15.258 6.795 4.113 440 H VAL 61 H VAL 61 -9.182 6.158 1.646 441 HA VAL 61 HA VAL 61 -8.613 3.315 1.558 442 HB VAL 61 HB VAL 61 -7.540 5.384 -0.413 443 HG11 VAL 61 1HG1 VAL 61 -7.985 2.373 -0.675 444 HG12 VAL 61 2HG1 VAL 61 -6.428 3.189 -0.540 445 HG13 VAL 61 3HG1 VAL 61 -7.426 3.439 -1.969 446 HG21 VAL 61 3HG2 VAL 61 -9.494 4.851 -1.840 447 HG22 VAL 61 1HG2 VAL 61 -9.993 5.576 -0.309 448 HG23 VAL 61 2HG2 VAL 61 -10.161 3.837 -0.555 449 H VAL 62 H VAL 62 -6.699 6.242 2.230 450 HA VAL 62 HA VAL 62 -4.152 4.956 2.500 451 HB VAL 62 HB VAL 62 -5.213 7.545 3.764 452 HG11 VAL 62 1HG1 VAL 62 -2.869 8.118 4.352 453 HG12 VAL 62 2HG1 VAL 62 -2.349 6.510 3.841 454 HG13 VAL 62 3HG1 VAL 62 -3.433 6.690 5.219 455 HG21 VAL 62 3HG2 VAL 62 -3.272 7.121 1.448 456 HG22 VAL 62 1HG2 VAL 62 -3.767 8.685 2.108 457 HG23 VAL 62 2HG2 VAL 62 -4.951 7.646 1.316 458 H SER 63 H SER 63 -6.875 5.514 4.761 459 HA SER 63 HA SER 63 -5.699 4.325 7.074 460 HB2 SER 63 1HB SER 63 -8.626 4.619 6.285 461 HB3 SER 63 2HB SER 63 -8.063 4.126 7.886 462 HG SER 63 HG SER 63 -7.194 6.522 6.688 463 H GLU 64 H GLU 64 -7.508 3.022 4.332 464 HA GLU 64 HA GLU 64 -7.885 0.383 5.403 465 HB2 GLU 64 1HB GLU 64 -9.191 1.720 3.486 466 HB3 GLU 64 2HB GLU 64 -8.012 0.967 2.426 467 HG2 GLU 64 1HG GLU 64 -9.946 -0.494 4.261 468 HG3 GLU 64 2HG GLU 64 -10.172 -0.251 2.537 469 H LEU 65 H LEU 65 -5.548 1.978 3.333 470 HA LEU 65 HA LEU 65 -4.053 -0.275 2.470 471 HB2 LEU 65 1HB LEU 65 -3.966 1.893 1.288 472 HB3 LEU 65 2HB LEU 65 -3.285 2.662 2.710 473 HG LEU 65 HG LEU 65 -1.200 1.319 2.439 474 HD11 LEU 65 1HD1 LEU 65 -2.467 0.264 -0.108 475 HD12 LEU 65 2HD1 LEU 65 -2.077 -0.670 1.339 476 HD13 LEU 65 3HD1 LEU 65 -0.783 0.039 0.379 477 HD21 LEU 65 3HD2 LEU 65 -0.323 2.481 0.447 478 HD22 LEU 65 1HD2 LEU 65 -1.300 3.561 1.440 479 HD23 LEU 65 2HD2 LEU 65 -1.965 2.890 -0.051 480 H SER 66 H SER 66 -3.629 2.096 5.104 481 HA SER 66 HA SER 66 -1.247 0.990 6.175 482 HB2 SER 66 1HB SER 66 -1.793 2.430 8.185 483 HB3 SER 66 2HB SER 66 -1.770 3.298 6.653 484 HG SER 66 HG SER 66 -3.721 3.871 7.059 485 H LEU 67 H LEU 67 -4.674 0.380 6.814 486 HA LEU 67 HA LEU 67 -4.350 -1.284 9.111 487 HB2 LEU 67 1HB LEU 67 -6.505 -0.240 8.608 488 HB3 LEU 67 2HB LEU 67 -6.598 -1.084 7.072 489 HG LEU 67 HG LEU 67 -6.868 -3.251 8.265 490 HD11 LEU 67 1HD1 LEU 67 -6.868 -1.623 10.830 491 HD12 LEU 67 2HD1 LEU 67 -5.625 -2.769 10.324 492 HD13 LEU 67 3HD1 LEU 67 -7.249 -3.342 10.689 493 HD21 LEU 67 3HD2 LEU 67 -9.154 -2.888 9.080 494 HD22 LEU 67 1HD2 LEU 67 -8.867 -1.978 7.599 495 HD23 LEU 67 2HD2 LEU 67 -8.873 -1.147 9.158 496 H LYS 68 H LYS 68 -4.457 -1.897 5.631 497 HA LYS 68 HA LYS 68 -4.556 -4.757 5.770 498 HB2 LYS 68 1HB LYS 68 -5.324 -3.228 3.837 499 HB3 LYS 68 2HB LYS 68 -3.629 -3.080 3.399 500 HG2 LYS 68 1HG LYS 68 -4.691 -4.766 2.003 501 HG3 LYS 68 2HG LYS 68 -3.513 -5.541 3.065 502 HD2 LYS 68 1HD LYS 68 -5.616 -6.856 2.898 503 HD3 LYS 68 2HD LYS 68 -5.298 -6.333 4.552 504 HE2 LYS 68 1HE LYS 68 -7.692 -6.081 3.921 505 HE3 LYS 68 2HE LYS 68 -6.951 -4.538 4.335 506 HZ1 LYS 68 3HZ LYS 68 -6.705 -4.068 1.994 507 HZ2 LYS 68 1HZ LYS 68 -8.317 -4.346 2.394 508 HZ3 LYS 68 2HZ LYS 68 -7.430 -5.540 1.591 509 H LEU 69 H LEU 69 -1.996 -2.370 5.238 510 HA LEU 69 HA LEU 69 0.184 -4.159 4.916 511 HB2 LEU 69 1HB LEU 69 0.169 -1.258 5.845 512 HB3 LEU 69 2HB LEU 69 1.619 -2.163 5.446 513 HG LEU 69 HG LEU 69 -0.592 -1.386 3.508 514 HD11 LEU 69 1HD1 LEU 69 1.076 0.086 2.476 515 HD12 LEU 69 2HD1 LEU 69 2.252 -0.357 3.717 516 HD13 LEU 69 3HD1 LEU 69 0.786 0.522 4.160 517 HD21 LEU 69 3HD2 LEU 69 0.334 -3.547 2.855 518 HD22 LEU 69 1HD2 LEU 69 1.977 -2.897 2.926 519 HD23 LEU 69 2HD2 LEU 69 0.830 -2.293 1.727 520 H ARG 70 H ARG 70 -1.277 -2.541 7.693 521 HA ARG 70 HA ARG 70 0.488 -3.129 9.757 522 HB2 ARG 70 1HB ARG 70 -1.406 -1.625 10.042 523 HB3 ARG 70 2HB ARG 70 -2.545 -2.935 9.770 524 HG2 ARG 70 1HG ARG 70 -1.871 -3.968 11.915 525 HG3 ARG 70 2HG ARG 70 -0.712 -2.660 12.177 526 HD2 ARG 70 1HD ARG 70 -2.583 -1.024 12.158 527 HD3 ARG 70 2HD ARG 70 -3.730 -2.357 11.957 528 HE ARG 70 HE ARG 70 -2.213 -2.923 14.220 529 HH11 ARG 70 1HH1 ARG 70 -4.455 -0.407 13.228 530 HH12 ARG 70 2HH1 ARG 70 -5.044 -0.134 14.833 531 HH21 ARG 70 1HH2 ARG 70 -3.025 -2.559 16.318 532 HH22 ARG 70 2HH2 ARG 70 -4.238 -1.349 16.575 533 H LYS 71 H LYS 71 -2.182 -5.083 8.485 534 HA LYS 71 HA LYS 71 -1.860 -7.256 10.330 535 HB2 LYS 71 1HB LYS 71 -3.364 -7.097 7.682 536 HB3 LYS 71 2HB LYS 71 -3.476 -8.437 8.822 537 HG2 LYS 71 1HG LYS 71 -4.424 -6.906 10.523 538 HG3 LYS 71 2HG LYS 71 -4.325 -5.572 9.368 539 HD2 LYS 71 1HD LYS 71 -5.904 -6.712 7.876 540 HD3 LYS 71 2HD LYS 71 -5.951 -8.107 8.956 541 HE2 LYS 71 1HE LYS 71 -6.933 -6.661 10.729 542 HE3 LYS 71 2HE LYS 71 -6.952 -5.312 9.588 543 HZ1 LYS 71 3HZ LYS 71 -8.439 -6.547 8.180 544 HZ2 LYS 71 1HZ LYS 71 -9.092 -6.457 9.735 545 HZ3 LYS 71 2HZ LYS 71 -8.373 -7.887 9.205 546 H GLU 72 H GLU 72 -1.331 -7.054 6.785 547 HA GLU 72 HA GLU 72 -0.301 -9.737 6.712 548 HB2 GLU 72 1HB GLU 72 -0.473 -7.685 4.475 549 HB3 GLU 72 2HB GLU 72 -0.258 -9.425 4.279 550 HG2 GLU 72 1HG GLU 72 -2.508 -9.771 5.319 551 HG3 GLU 72 2HG GLU 72 -2.719 -8.020 5.383 552 H PHE 73 H PHE 73 1.064 -6.548 5.861 553 HA PHE 73 HA PHE 73 3.721 -7.711 5.426 554 HB2 PHE 73 1HB PHE 73 2.651 -4.888 4.992 555 HB3 PHE 73 2HB PHE 73 4.292 -5.400 4.610 556 HD1 PHE 73 HD2 PHE 73 0.712 -5.783 3.652 557 HD2 PHE 73 HD1 PHE 73 4.760 -6.686 2.592 558 HE1 PHE 73 HE2 PHE 73 -0.024 -6.476 1.403 559 HE2 PHE 73 HE1 PHE 73 4.011 -7.381 0.356 560 HZ PHE 73 HZ PHE 73 1.627 -7.275 -0.246 561 H GLY 74 H GLY 74 2.007 -6.322 7.983 562 HA2 GLY 74 1HA GLY 74 2.601 -5.890 10.154 563 HA3 GLY 74 2HA GLY 74 4.292 -6.132 9.738 564 H VAL 75 H VAL 75 3.228 -3.942 7.528 565 HA VAL 75 HA VAL 75 4.814 -1.858 8.754 566 HB VAL 75 HB VAL 75 3.364 -1.872 6.052 567 HG11 VAL 75 1HG1 VAL 75 5.608 -0.064 7.029 568 HG12 VAL 75 2HG1 VAL 75 3.934 0.404 6.734 569 HG13 VAL 75 3HG1 VAL 75 4.957 -0.093 5.388 570 HG21 VAL 75 3HG2 VAL 75 5.543 -2.517 5.065 571 HG22 VAL 75 1HG2 VAL 75 4.972 -3.734 6.209 572 HG23 VAL 75 2HG2 VAL 75 6.257 -2.619 6.677 573 H THR 76 H THR 76 3.826 -0.722 10.333 574 HA THR 76 HA THR 76 1.279 0.675 9.792 575 HB THR 76 HB THR 76 0.711 -1.335 11.146 576 HG1 THR 76 HG1 THR 76 0.207 0.343 13.152 577 HG21 THR 76 3HG2 THR 76 2.851 -1.648 12.341 578 HG22 THR 76 1HG2 THR 76 1.495 -1.568 13.465 579 HG23 THR 76 2HG2 THR 76 2.553 -0.172 13.266 580 H GLY 77 H GLY 77 0.891 2.363 11.561 581 HA2 GLY 77 1HA GLY 77 1.519 4.265 12.664 582 HA3 GLY 77 2HA GLY 77 3.118 3.569 12.907 583 H VAL 78 H VAL 78 1.971 3.669 9.663 584 HA VAL 78 HA VAL 78 3.839 5.882 8.972 585 HB VAL 78 HB VAL 78 4.416 4.625 6.903 586 HG11 VAL 78 1HG1 VAL 78 4.882 2.969 9.419 587 HG12 VAL 78 2HG1 VAL 78 5.864 4.327 8.868 588 HG13 VAL 78 3HG1 VAL 78 5.805 2.846 7.915 589 HG21 VAL 78 3HG2 VAL 78 2.689 2.370 8.022 590 HG22 VAL 78 1HG2 VAL 78 3.706 2.276 6.580 591 HG23 VAL 78 2HG2 VAL 78 2.316 3.358 6.605 592 H ASP 79 H ASP 79 0.795 5.653 9.331 593 HA ASP 79 HA ASP 79 -0.625 5.582 6.941 594 HB2 ASP 79 1HB ASP 79 -1.681 5.457 9.165 595 HB3 ASP 79 2HB ASP 79 -1.253 7.130 9.491 596 H ASP 80 H ASP 80 0.801 8.391 8.598 597 HA ASP 80 HA ASP 80 -0.249 10.370 6.833 598 HB2 ASP 80 1HB ASP 80 2.116 10.527 8.754 599 HB3 ASP 80 2HB ASP 80 1.433 11.912 7.898 600 H GLU 81 H GLU 81 2.744 8.495 6.843 601 HA GLU 81 HA GLU 81 4.030 9.861 4.705 602 HB2 GLU 81 1HB GLU 81 4.406 6.980 5.626 603 HB3 GLU 81 2HB GLU 81 5.422 7.788 4.441 604 HG2 GLU 81 1HG GLU 81 6.742 8.078 6.285 605 HG3 GLU 81 2HG GLU 81 5.775 9.541 6.414 606 H LEU 82 H LEU 82 1.751 7.147 4.833 607 HA LEU 82 HA LEU 82 1.837 6.378 2.105 608 HB2 LEU 82 1HB LEU 82 -0.408 6.136 4.139 609 HB3 LEU 82 2HB LEU 82 -0.390 5.314 2.582 610 HG LEU 82 HG LEU 82 1.591 4.837 4.850 611 HD11 LEU 82 1HD1 LEU 82 0.497 2.667 5.113 612 HD12 LEU 82 2HD1 LEU 82 -0.665 3.079 3.850 613 HD13 LEU 82 3HD1 LEU 82 -0.650 3.982 5.365 614 HD21 LEU 82 3HD2 LEU 82 1.313 3.437 2.176 615 HD22 LEU 82 1HD2 LEU 82 2.395 2.950 3.487 616 HD23 LEU 82 2HD2 LEU 82 2.644 4.489 2.671 617 H ASP 83 H ASP 83 0.051 8.870 3.826 618 HA ASP 83 HA ASP 83 -1.608 9.677 1.615 619 HB2 ASP 83 1HB ASP 83 -2.191 10.120 4.015 620 HB3 ASP 83 2HB ASP 83 -0.848 11.255 4.114 621 H LEU 84 H LEU 84 1.550 10.650 2.890 622 HA LEU 84 HA LEU 84 2.045 12.850 1.123 623 HB2 LEU 84 1HB LEU 84 3.953 11.072 2.698 624 HB3 LEU 84 2HB LEU 84 4.476 12.489 1.798 625 HG LEU 84 HG LEU 84 2.534 12.555 4.141 626 HD11 LEU 84 1HD1 LEU 84 4.360 13.541 5.453 627 HD12 LEU 84 2HD1 LEU 84 5.474 13.295 4.106 628 HD13 LEU 84 3HD1 LEU 84 4.753 11.906 4.922 629 HD21 LEU 84 3HD2 LEU 84 2.856 14.993 4.085 630 HD22 LEU 84 1HD2 LEU 84 2.151 14.403 2.582 631 HD23 LEU 84 2HD2 LEU 84 3.862 14.840 2.643 632 H LEU 85 H LEU 85 2.251 9.394 0.756 633 HA LEU 85 HA LEU 85 4.024 9.370 -1.513 634 HB2 LEU 85 1HB LEU 85 2.139 7.246 -0.442 635 HB3 LEU 85 2HB LEU 85 3.246 6.991 -1.783 636 HG LEU 85 HG LEU 85 4.046 7.591 1.079 637 HD11 LEU 85 1HD1 LEU 85 3.137 5.362 0.856 638 HD12 LEU 85 2HD1 LEU 85 4.879 5.282 1.107 639 HD13 LEU 85 3HD1 LEU 85 4.210 5.032 -0.506 640 HD21 LEU 85 3HD2 LEU 85 6.359 7.158 0.358 641 HD22 LEU 85 1HD2 LEU 85 5.680 8.558 -0.470 642 HD23 LEU 85 2HD2 LEU 85 5.819 7.014 -1.316 643 H GLU 86 H GLU 86 3.494 10.030 -3.440 644 HA GLU 86 HA GLU 86 0.684 10.147 -4.372 645 HB2 GLU 86 1HB GLU 86 1.560 11.636 -6.154 646 HB3 GLU 86 2HB GLU 86 1.949 12.245 -4.547 647 HG2 GLU 86 1HG GLU 86 4.255 11.458 -4.753 648 HG3 GLU 86 2HG GLU 86 3.892 10.691 -6.298 649 H THR 87 H THR 87 3.402 8.169 -4.595 650 HA THR 87 HA THR 87 2.637 6.985 -7.179 651 HB THR 87 HB THR 87 5.331 6.868 -7.481 652 HG1 THR 87 HG1 THR 87 5.946 7.992 -5.677 653 HG21 THR 87 3HG2 THR 87 5.267 8.866 -8.920 654 HG22 THR 87 1HG2 THR 87 3.725 9.356 -8.201 655 HG23 THR 87 2HG2 THR 87 3.825 7.881 -9.164 656 H VAL 88 H VAL 88 3.190 4.833 -7.473 657 HA VAL 88 HA VAL 88 3.035 3.315 -5.035 658 HB VAL 88 HB VAL 88 3.288 2.113 -7.827 659 HG11 VAL 88 1HG1 VAL 88 1.915 0.283 -6.892 660 HG12 VAL 88 2HG1 VAL 88 1.853 1.114 -5.335 661 HG13 VAL 88 3HG1 VAL 88 3.393 0.522 -5.957 662 HG21 VAL 88 3HG2 VAL 88 1.548 3.833 -7.988 663 HG22 VAL 88 1HG2 VAL 88 0.720 3.160 -6.582 664 HG23 VAL 88 2HG2 VAL 88 0.839 2.222 -8.072 665 H ASP 89 H ASP 89 5.576 4.140 -7.271 666 HA ASP 89 HA ASP 89 7.403 2.042 -6.889 667 HB2 ASP 89 1HB ASP 89 7.643 3.789 -8.633 668 HB3 ASP 89 2HB ASP 89 7.950 5.002 -7.397 669 H GLU 90 H GLU 90 7.091 5.144 -5.247 670 HA GLU 90 HA GLU 90 9.038 4.733 -3.231 671 HB2 GLU 90 1HB GLU 90 6.719 6.679 -3.527 672 HB3 GLU 90 2HB GLU 90 7.764 6.687 -2.110 673 HG2 GLU 90 1HG GLU 90 8.426 8.414 -3.671 674 HG3 GLU 90 2HG GLU 90 9.703 7.218 -3.491 675 H LEU 91 H LEU 91 5.563 4.024 -3.460 676 HA LEU 91 HA LEU 91 5.103 3.302 -0.761 677 HB2 LEU 91 1HB LEU 91 3.226 3.697 -2.227 678 HB3 LEU 91 2HB LEU 91 3.727 2.409 -3.307 679 HG LEU 91 HG LEU 91 3.189 0.721 -1.555 680 HD11 LEU 91 1HD1 LEU 91 1.959 1.344 0.478 681 HD12 LEU 91 2HD1 LEU 91 2.177 3.053 0.098 682 HD13 LEU 91 3HD1 LEU 91 3.576 2.042 0.463 683 HD21 LEU 91 3HD2 LEU 91 0.864 2.576 -2.118 684 HD22 LEU 91 1HD2 LEU 91 0.768 0.867 -1.692 685 HD23 LEU 91 2HD2 LEU 91 1.487 1.352 -3.225 686 H PHE 92 H PHE 92 6.070 1.269 -3.543 687 HA PHE 92 HA PHE 92 6.204 -1.241 -2.316 688 HB2 PHE 92 1HB PHE 92 7.824 -0.068 -4.617 689 HB3 PHE 92 2HB PHE 92 8.036 -1.728 -4.085 690 HD1 PHE 92 HD2 PHE 92 5.533 -2.936 -3.788 691 HD2 PHE 92 HD1 PHE 92 6.601 0.087 -6.613 692 HE1 PHE 92 HE2 PHE 92 3.784 -3.727 -5.319 693 HE2 PHE 92 HE1 PHE 92 4.862 -0.729 -8.134 694 HZ PHE 92 HZ PHE 92 3.453 -2.630 -7.488 695 H GLN 93 H GLN 93 8.620 1.313 -2.667 696 HA GLN 93 HA GLN 93 10.746 -0.031 -1.362 697 HB2 GLN 93 1HB GLN 93 10.316 2.921 -1.931 698 HB3 GLN 93 2HB GLN 93 11.814 2.248 -1.291 699 HG2 GLN 93 1HG GLN 93 11.956 0.823 -3.381 700 HG3 GLN 93 2HG GLN 93 10.595 1.747 -4.019 701 HE21 GLN 93 2HE2 GLN 93 13.965 1.851 -3.118 702 HE22 GLN 93 1HE2 GLN 93 14.335 3.358 -3.877 703 H LEU 94 H LEU 94 8.168 2.110 -0.172 704 HA LEU 94 HA LEU 94 9.327 2.605 2.396 705 HB2 LEU 94 1HB LEU 94 7.592 4.065 1.329 706 HB3 LEU 94 2HB LEU 94 6.393 2.820 1.615 707 HG LEU 94 HG LEU 94 7.912 3.939 3.991 708 HD11 LEU 94 1HD1 LEU 94 7.214 5.942 2.764 709 HD12 LEU 94 2HD1 LEU 94 6.328 5.778 4.276 710 HD13 LEU 94 3HD1 LEU 94 5.544 5.368 2.746 711 HD21 LEU 94 3HD2 LEU 94 5.819 3.516 5.212 712 HD22 LEU 94 1HD2 LEU 94 6.369 2.060 4.387 713 HD23 LEU 94 2HD2 LEU 94 5.033 2.996 3.717 714 H VAL 95 H VAL 95 6.844 0.358 1.231 715 HA VAL 95 HA VAL 95 6.271 -0.985 3.618 716 HB VAL 95 HB VAL 95 6.153 -2.019 0.742 717 HG11 VAL 95 1HG1 VAL 95 4.912 -3.261 3.231 718 HG12 VAL 95 2HG1 VAL 95 6.216 -3.945 2.262 719 HG13 VAL 95 3HG1 VAL 95 4.606 -3.779 1.569 720 HG21 VAL 95 3HG2 VAL 95 4.696 -0.074 1.158 721 HG22 VAL 95 1HG2 VAL 95 3.953 -0.902 2.530 722 HG23 VAL 95 2HG2 VAL 95 3.730 -1.525 0.894 723 H GLU 96 H GLU 96 8.647 -1.728 1.066 724 HA GLU 96 HA GLU 96 9.744 -4.053 2.278 725 HB2 GLU 96 1HB GLU 96 9.894 -3.575 -0.154 726 HB3 GLU 96 2HB GLU 96 10.943 -2.199 0.175 727 HG2 GLU 96 1HG GLU 96 12.655 -3.735 1.099 728 HG3 GLU 96 2HG GLU 96 11.602 -5.105 0.765 729 H LYS 97 H LYS 97 10.612 -0.627 2.462 730 HA LYS 97 HA LYS 97 13.158 -0.851 3.685 731 HB2 LYS 97 1HB LYS 97 12.313 1.229 2.611 732 HB3 LYS 97 2HB LYS 97 11.121 1.406 3.888 733 HG2 LYS 97 1HG LYS 97 13.022 1.662 5.527 734 HG3 LYS 97 2HG LYS 97 14.138 1.667 4.157 735 HD2 LYS 97 1HD LYS 97 12.970 3.669 3.235 736 HD3 LYS 97 2HD LYS 97 11.874 3.659 4.620 737 HE2 LYS 97 1HE LYS 97 13.577 5.335 4.982 738 HE3 LYS 97 2HE LYS 97 13.848 4.009 6.114 739 HZ1 LYS 97 3HZ LYS 97 15.303 4.398 3.554 740 HZ2 LYS 97 1HZ LYS 97 15.586 3.179 4.687 741 HZ3 LYS 97 2HZ LYS 97 15.903 4.788 5.087 742 H HIS 98 H HIS 98 9.913 -0.346 5.029 743 HA HIS 98 HA HIS 98 10.776 -0.355 7.787 744 HB2 HIS 98 1HB HIS 98 8.010 -0.294 6.509 745 HB3 HIS 98 2HB HIS 98 8.262 -0.272 8.253 746 HD1 HIS 98 HD1 HIS 98 8.210 2.020 9.191 747 HD2 HIS 98 HD2 HIS 98 9.620 2.034 5.285 748 HE1 HIS 98 HE1 HIS 98 8.631 4.430 8.624 749 HE2 HIS 98 HE2 HIS 98 9.721 4.366 6.364 750 H ARG 99 H ARG 99 9.860 -2.753 5.520 751 HA ARG 99 HA ARG 99 9.080 -4.817 7.390 752 HB2 ARG 99 1HB ARG 99 8.310 -4.718 5.002 753 HB3 ARG 99 2HB ARG 99 9.959 -5.037 4.478 754 HG2 ARG 99 1HG ARG 99 9.850 -7.238 5.677 755 HG3 ARG 99 2HG ARG 99 8.152 -6.913 6.040 756 HD2 ARG 99 1HD ARG 99 8.326 -8.366 4.088 757 HD3 ARG 99 2HD ARG 99 7.676 -6.795 3.603 758 HE ARG 99 HE ARG 99 10.292 -6.443 3.127 759 HH11 ARG 99 1HH1 ARG 99 8.208 -9.118 2.256 760 HH12 ARG 99 2HH1 ARG 99 9.096 -9.491 0.815 761 HH21 ARG 99 1HH2 ARG 99 11.434 -6.939 1.223 762 HH22 ARG 99 2HH2 ARG 99 10.914 -8.261 0.229 763 H ALA 100 H ALA 100 11.996 -4.063 5.476 764 HA ALA 100 HA ALA 100 13.603 -6.208 6.519 765 HB1 ALA 100 3HB ALA 100 15.453 -5.108 5.304 766 HB2 ALA 100 1HB ALA 100 14.419 -3.711 4.989 767 HB3 ALA 100 2HB ALA 100 14.027 -5.276 4.283 768 H ALA 101 H ALA 101 13.896 -2.667 6.792 769 HA ALA 101 HA ALA 101 15.530 -2.829 9.175 770 HB1 ALA 101 3HB ALA 101 16.031 -1.136 7.465 771 HB2 ALA 101 1HB ALA 101 15.629 -0.368 9.003 772 HB3 ALA 101 2HB ALA 101 14.441 -0.409 7.696 773 H GLY 102 H GLY 102 13.882 -3.995 10.376 774 HA2 GLY 102 1HA GLY 102 11.985 -2.178 11.779 775 HA3 GLY 102 2HA GLY 102 11.741 -3.911 11.582 776 H SER 103 H SER 103 14.967 -2.870 12.149 777 HA SER 103 HA SER 103 15.105 -4.251 14.684 778 HB2 SER 103 1HB SER 103 17.591 -3.706 14.440 779 HB3 SER 103 2HB SER 103 16.897 -4.690 13.153 780 HG SER 103 HG SER 103 17.899 -2.101 13.083 Start of MODEL 13 1 H1 MET 1 1H MET 1 -22.392 5.632 16.900 2 H2 MET 1 2H MET 1 -21.498 5.302 15.510 3 H3 MET 1 3H MET 1 -20.994 6.522 16.560 4 HA MET 1 HA MET 1 -19.624 4.613 16.824 5 HB2 MET 1 1HB MET 1 -21.540 5.004 19.170 6 HB3 MET 1 2HB MET 1 -19.941 4.274 19.281 7 HG2 MET 1 1HG MET 1 -18.887 6.379 18.664 8 HG3 MET 1 2HG MET 1 -20.461 7.129 18.403 9 HE1 MET 1 3HE MET 1 -22.205 7.632 20.435 10 HE2 MET 1 1HE MET 1 -21.853 7.209 22.110 11 HE3 MET 1 2HE MET 1 -22.125 5.937 20.920 12 H GLY 2 H GLY 2 -19.528 2.493 16.328 13 HA2 GLY 2 1HA GLY 2 -20.174 0.219 16.403 14 HA3 GLY 2 2HA GLY 2 -21.827 0.694 16.786 15 H SER 3 H SER 3 -22.534 -0.706 15.098 16 HA SER 3 HA SER 3 -23.046 -1.489 13.069 17 HB2 SER 3 1HB SER 3 -23.908 0.172 11.411 18 HB3 SER 3 2HB SER 3 -24.508 0.459 13.041 19 HG SER 3 HG SER 3 -22.192 1.810 12.248 20 H SER 4 H SER 4 -20.994 -2.505 12.831 21 HA SER 4 HA SER 4 -18.903 -1.390 11.215 22 HB2 SER 4 1HB SER 4 -18.041 -3.786 11.236 23 HB3 SER 4 2HB SER 4 -18.329 -3.113 12.837 24 HG SER 4 HG SER 4 -20.475 -4.460 11.713 25 H HIS 5 H HIS 5 -19.711 -0.731 9.255 26 HA HIS 5 HA HIS 5 -21.464 -2.131 7.540 27 HB2 HIS 5 1HB HIS 5 -20.685 -0.576 5.763 28 HB3 HIS 5 2HB HIS 5 -21.030 0.282 7.255 29 HD1 HIS 5 HD1 HIS 5 -18.154 -0.736 5.038 30 HD2 HIS 5 HD2 HIS 5 -18.834 1.591 8.418 31 HE1 HIS 5 HE1 HIS 5 -16.027 0.536 5.425 32 HE2 HIS 5 HE2 HIS 5 -16.440 1.880 7.504 33 H ASP 6 H ASP 6 -17.998 -2.238 7.989 34 HA ASP 6 HA ASP 6 -16.301 -3.530 7.341 35 HB2 ASP 6 1HB ASP 6 -17.793 -5.406 8.044 36 HB3 ASP 6 2HB ASP 6 -18.433 -5.508 6.405 37 H HIS 7 H HIS 7 -15.063 -4.313 5.448 38 HA HIS 7 HA HIS 7 -15.463 -2.603 3.183 39 HB2 HIS 7 1HB HIS 7 -13.207 -3.137 4.075 40 HB3 HIS 7 2HB HIS 7 -13.415 -4.824 3.607 41 HD1 HIS 7 HD1 HIS 7 -11.828 -5.116 1.728 42 HD2 HIS 7 HD2 HIS 7 -14.026 -1.620 1.321 43 HE1 HIS 7 HE1 HIS 7 -11.161 -4.147 -0.474 44 HE2 HIS 7 HE2 HIS 7 -12.293 -1.925 -0.562 45 H HIS 8 H HIS 8 -15.178 -6.173 3.426 46 HA HIS 8 HA HIS 8 -16.168 -7.917 2.408 47 HB2 HIS 8 1HB HIS 8 -18.090 -6.919 3.663 48 HB3 HIS 8 2HB HIS 8 -18.550 -6.014 2.228 49 HD1 HIS 8 HD1 HIS 8 -19.414 -7.508 0.155 50 HD2 HIS 8 HD2 HIS 8 -19.110 -9.482 3.800 51 HE1 HIS 8 HE1 HIS 8 -20.814 -9.571 -0.071 52 HE2 HIS 8 HE2 HIS 8 -20.722 -10.679 2.179 53 H HIS 9 H HIS 9 -14.742 -7.849 0.512 54 HA HIS 9 HA HIS 9 -16.234 -7.285 -2.004 55 HB2 HIS 9 1HB HIS 9 -13.238 -7.166 -1.456 56 HB3 HIS 9 2HB HIS 9 -13.858 -7.352 -3.090 57 HD1 HIS 9 HD1 HIS 9 -12.865 -5.091 -3.810 58 HD2 HIS 9 HD2 HIS 9 -15.648 -4.770 -0.742 59 HE1 HIS 9 HE1 HIS 9 -13.385 -2.650 -3.618 60 HE2 HIS 9 HE2 HIS 9 -15.217 -2.507 -1.898 61 H HIS 10 H HIS 10 -16.897 -9.065 -3.027 62 HA HIS 10 HA HIS 10 -15.376 -11.603 -2.751 63 HB2 HIS 10 1HB HIS 10 -17.766 -11.629 -1.860 64 HB3 HIS 10 2HB HIS 10 -18.331 -11.300 -3.495 65 HD1 HIS 10 HD1 HIS 10 -18.920 -13.333 -4.784 66 HD2 HIS 10 HD2 HIS 10 -16.143 -14.168 -1.812 67 HE1 HIS 10 HE1 HIS 10 -18.613 -15.821 -4.825 68 HE2 HIS 10 HE2 HIS 10 -16.840 -16.287 -3.109 69 H SER 11 H SER 11 -13.968 -10.644 -4.351 70 HA SER 11 HA SER 11 -14.971 -10.066 -7.026 71 HB2 SER 11 1HB SER 11 -12.120 -10.001 -5.943 72 HB3 SER 11 2HB SER 11 -12.676 -9.308 -7.469 73 HG SER 11 HG SER 11 -14.242 -8.225 -5.778 74 H SER 12 H SER 12 -15.732 -12.190 -7.503 75 HA SER 12 HA SER 12 -13.656 -13.896 -8.697 76 HB2 SER 12 1HB SER 12 -14.886 -15.952 -7.918 77 HB3 SER 12 2HB SER 12 -14.182 -15.031 -6.592 78 HG SER 12 HG SER 12 -16.430 -15.788 -6.354 79 H GLY 13 H GLY 13 -14.649 -15.462 -10.260 80 HA2 GLY 13 1HA GLY 13 -16.737 -15.872 -11.624 81 HA3 GLY 13 2HA GLY 13 -16.770 -14.125 -11.852 82 H ARG 14 H ARG 14 -15.635 -13.294 -13.542 83 HA ARG 14 HA ARG 14 -14.105 -15.122 -15.247 84 HB2 ARG 14 1HB ARG 14 -14.903 -12.213 -15.755 85 HB3 ARG 14 2HB ARG 14 -14.184 -13.315 -16.928 86 HG2 ARG 14 1HG ARG 14 -16.211 -14.785 -16.708 87 HG3 ARG 14 2HG ARG 14 -16.933 -13.554 -15.670 88 HD2 ARG 14 1HD ARG 14 -16.126 -13.219 -18.573 89 HD3 ARG 14 2HD ARG 14 -17.772 -13.329 -17.948 90 HE ARG 14 HE ARG 14 -16.442 -11.170 -16.707 91 HH11 ARG 14 1HH1 ARG 14 -17.823 -12.029 -19.831 92 HH12 ARG 14 2HH1 ARG 14 -18.084 -10.384 -20.292 93 HH21 ARG 14 1HH2 ARG 14 -16.787 -9.026 -17.353 94 HH22 ARG 14 2HH2 ARG 14 -17.498 -8.690 -18.893 95 H GLU 15 H GLU 15 -12.244 -15.402 -14.009 96 HA GLU 15 HA GLU 15 -10.467 -13.128 -13.460 97 HB2 GLU 15 1HB GLU 15 -9.055 -14.819 -12.310 98 HB3 GLU 15 2HB GLU 15 -10.702 -14.805 -11.689 99 HG2 GLU 15 1HG GLU 15 -11.207 -16.818 -13.093 100 HG3 GLU 15 2HG GLU 15 -9.518 -16.854 -13.594 101 H ASN 16 H ASN 16 -8.469 -12.859 -14.504 102 HA ASN 16 HA ASN 16 -8.155 -14.314 -17.073 103 HB2 ASN 16 1HB ASN 16 -7.286 -11.497 -16.306 104 HB3 ASN 16 2HB ASN 16 -6.931 -12.262 -17.852 105 HD21 ASN 16 2HD2 ASN 16 -9.453 -10.902 -15.846 106 HD22 ASN 16 1HD2 ASN 16 -10.633 -10.749 -17.094 107 H LEU 17 H LEU 17 -6.192 -15.094 -17.681 108 HA LEU 17 HA LEU 17 -4.252 -15.764 -15.670 109 HB2 LEU 17 1HB LEU 17 -4.205 -16.143 -18.687 110 HB3 LEU 17 2HB LEU 17 -3.037 -16.837 -17.577 111 HG LEU 17 HG LEU 17 -6.008 -17.514 -17.600 112 HD11 LEU 17 1HD1 LEU 17 -4.893 -18.374 -19.620 113 HD12 LEU 17 2HD1 LEU 17 -5.355 -19.688 -18.538 114 HD13 LEU 17 3HD1 LEU 17 -3.671 -19.164 -18.617 115 HD21 LEU 17 3HD2 LEU 17 -5.032 -17.763 -15.350 116 HD22 LEU 17 1HD2 LEU 17 -3.734 -18.767 -16.006 117 HD23 LEU 17 2HD2 LEU 17 -5.403 -19.339 -16.043 118 H TYR 18 H TYR 18 -1.923 -15.386 -15.994 119 HA TYR 18 HA TYR 18 -1.300 -12.587 -16.596 120 HB2 TYR 18 1HB TYR 18 0.874 -13.082 -15.458 121 HB3 TYR 18 2HB TYR 18 -0.513 -13.471 -14.449 122 HD1 TYR 18 HD2 TYR 18 -1.046 -15.847 -13.878 123 HD2 TYR 18 HD1 TYR 18 2.341 -14.898 -16.314 124 HE1 TYR 18 HE2 TYR 18 -0.169 -18.120 -13.555 125 HE2 TYR 18 HE1 TYR 18 3.207 -17.162 -15.988 126 HH TYR 18 HH TYR 18 1.390 -19.688 -14.784 127 H PHE 19 H PHE 19 0.868 -12.189 -17.662 128 HA PHE 19 HA PHE 19 1.299 -13.885 -20.039 129 HB2 PHE 19 1HB PHE 19 0.964 -11.468 -20.435 130 HB3 PHE 19 2HB PHE 19 2.287 -11.077 -19.346 131 HD1 PHE 19 HD2 PHE 19 1.486 -12.727 -22.609 132 HD2 PHE 19 HD1 PHE 19 4.561 -10.989 -20.178 133 HE1 PHE 19 HE2 PHE 19 3.041 -12.792 -24.515 134 HE2 PHE 19 HE1 PHE 19 6.106 -11.071 -22.091 135 HZ PHE 19 HZ PHE 19 5.350 -11.967 -24.261 136 H GLN 20 H GLN 20 2.973 -12.413 -17.285 137 HA GLN 20 HA GLN 20 5.128 -14.419 -17.393 138 HB2 GLN 20 1HB GLN 20 5.915 -12.337 -18.562 139 HB3 GLN 20 2HB GLN 20 5.576 -11.408 -17.105 140 HG2 GLN 20 1HG GLN 20 7.272 -12.798 -15.887 141 HG3 GLN 20 2HG GLN 20 7.661 -13.599 -17.408 142 HE21 GLN 20 2HE2 GLN 20 9.406 -12.028 -15.688 143 HE22 GLN 20 1HE2 GLN 20 9.994 -10.722 -16.648 144 H GLY 21 H GLY 21 5.931 -14.959 -15.356 145 HA2 GLY 21 1HA GLY 21 6.065 -13.735 -12.992 146 HA3 GLY 21 2HA GLY 21 4.350 -14.137 -13.030 147 H HIS 22 H HIS 22 3.824 -16.420 -13.536 148 HA HIS 22 HA HIS 22 3.694 -18.570 -12.856 149 HB2 HIS 22 1HB HIS 22 6.715 -18.444 -13.190 150 HB3 HIS 22 2HB HIS 22 5.880 -19.932 -12.759 151 HD1 HIS 22 HD1 HIS 22 4.842 -21.247 -14.630 152 HD2 HIS 22 HD2 HIS 22 6.070 -17.478 -15.868 153 HE1 HIS 22 HE1 HIS 22 4.589 -21.242 -17.117 154 HE2 HIS 22 HE2 HIS 22 5.175 -18.906 -17.824 155 H MET 23 H MET 23 4.248 -16.288 -10.915 156 HA MET 23 HA MET 23 4.035 -17.777 -8.490 157 HB2 MET 23 1HB MET 23 6.519 -17.822 -8.759 158 HB3 MET 23 2HB MET 23 6.545 -16.072 -8.895 159 HG2 MET 23 1HG MET 23 5.744 -15.886 -6.558 160 HG3 MET 23 2HG MET 23 5.745 -17.648 -6.430 161 HE1 MET 23 3HE MET 23 8.837 -16.546 -4.232 162 HE2 MET 23 1HE MET 23 7.300 -17.409 -4.235 163 HE3 MET 23 2HE MET 23 7.329 -15.654 -4.420 164 HA PRO 24 HA PRO 24 2.014 -13.601 -8.283 165 HB2 PRO 24 1HB PRO 24 -0.560 -14.348 -8.111 166 HB3 PRO 24 2HB PRO 24 0.270 -14.379 -9.673 167 HG2 PRO 24 1HG PRO 24 -0.315 -16.662 -7.790 168 HG3 PRO 24 2HG PRO 24 -0.492 -16.599 -9.558 169 HD2 PRO 24 1HD PRO 24 1.708 -17.690 -8.226 170 HD3 PRO 24 2HD PRO 24 1.739 -17.111 -9.905 171 H ASN 25 H ASN 25 0.399 -12.907 -6.491 172 HA ASN 25 HA ASN 25 -0.217 -12.599 -4.352 173 HB2 ASN 25 1HB ASN 25 -1.079 -15.004 -4.671 174 HB3 ASN 25 2HB ASN 25 0.373 -15.551 -3.841 175 HD21 ASN 25 2HD2 ASN 25 -0.610 -16.394 -2.046 176 HD22 ASN 25 1HD2 ASN 25 -1.517 -15.467 -0.908 177 H ASP 26 H ASP 26 2.842 -12.957 -5.258 178 HA ASP 26 HA ASP 26 4.159 -13.111 -2.638 179 HB2 ASP 26 1HB ASP 26 5.194 -14.337 -4.534 180 HB3 ASP 26 2HB ASP 26 5.318 -12.842 -5.463 181 H MET 27 H MET 27 5.512 -11.394 -1.888 182 HA MET 27 HA MET 27 4.451 -9.219 -1.063 183 HB2 MET 27 1HB MET 27 6.724 -9.754 -0.488 184 HB3 MET 27 2HB MET 27 7.298 -9.329 -2.097 185 HG2 MET 27 1HG MET 27 6.597 -6.947 -1.620 186 HG3 MET 27 2HG MET 27 6.284 -7.444 0.047 187 HE1 MET 27 3HE MET 27 9.720 -5.355 -0.049 188 HE2 MET 27 1HE MET 27 8.071 -5.332 0.569 189 HE3 MET 27 2HE MET 27 8.368 -5.159 -1.164 190 H GLU 28 H GLU 28 6.233 -8.798 -4.182 191 HA GLU 28 HA GLU 28 5.466 -6.098 -4.571 192 HB2 GLU 28 1HB GLU 28 6.437 -8.150 -6.610 193 HB3 GLU 28 2HB GLU 28 6.182 -6.450 -6.978 194 HG2 GLU 28 1HG GLU 28 8.497 -6.656 -6.645 195 HG3 GLU 28 2HG GLU 28 7.889 -5.917 -5.167 196 H ASP 29 H ASP 29 4.325 -9.035 -6.294 197 HA ASP 29 HA ASP 29 2.164 -7.809 -7.649 198 HB2 ASP 29 1HB ASP 29 3.043 -9.950 -8.399 199 HB3 ASP 29 2HB ASP 29 2.639 -10.718 -6.870 200 H HIS 30 H HIS 30 2.436 -9.143 -4.418 201 HA HIS 30 HA HIS 30 -0.367 -9.317 -3.862 202 HB2 HIS 30 1HB HIS 30 1.532 -10.584 -2.637 203 HB3 HIS 30 2HB HIS 30 1.842 -9.085 -1.767 204 HD1 HIS 30 HD1 HIS 30 0.070 -12.135 -1.388 205 HD2 HIS 30 HD2 HIS 30 -0.812 -8.188 -0.472 206 HE1 HIS 30 HE1 HIS 30 -1.768 -12.220 0.310 207 HE2 HIS 30 HE2 HIS 30 -2.131 -9.836 0.988 208 H LEU 31 H LEU 31 2.124 -6.806 -3.538 209 HA LEU 31 HA LEU 31 0.615 -4.953 -1.987 210 HB2 LEU 31 1HB LEU 31 3.096 -4.844 -2.329 211 HB3 LEU 31 2HB LEU 31 2.828 -4.377 -4.000 212 HG LEU 31 HG LEU 31 1.726 -2.270 -3.226 213 HD11 LEU 31 1HD1 LEU 31 1.866 -1.575 -0.855 214 HD12 LEU 31 2HD1 LEU 31 2.496 -3.166 -0.420 215 HD13 LEU 31 3HD1 LEU 31 0.857 -3.006 -1.054 216 HD21 LEU 31 3HD2 LEU 31 3.762 -1.120 -2.450 217 HD22 LEU 31 1HD2 LEU 31 4.134 -2.251 -3.750 218 HD23 LEU 31 2HD2 LEU 31 4.518 -2.671 -2.079 219 H LEU 32 H LEU 32 0.959 -5.520 -5.467 220 HA LEU 32 HA LEU 32 -0.856 -3.552 -6.398 221 HB2 LEU 32 1HB LEU 32 0.140 -6.161 -7.576 222 HB3 LEU 32 2HB LEU 32 -1.139 -5.269 -8.379 223 HG LEU 32 HG LEU 32 0.388 -3.313 -8.627 224 HD11 LEU 32 1HD1 LEU 32 1.883 -3.680 -6.727 225 HD12 LEU 32 2HD1 LEU 32 2.786 -3.504 -8.230 226 HD13 LEU 32 3HD1 LEU 32 2.559 -5.105 -7.522 227 HD21 LEU 32 3HD2 LEU 32 1.772 -4.259 -10.428 228 HD22 LEU 32 1HD2 LEU 32 0.142 -4.933 -10.461 229 HD23 LEU 32 2HD2 LEU 32 1.479 -5.888 -9.816 230 H THR 33 H THR 33 -1.360 -6.853 -5.175 231 HA THR 33 HA THR 33 -4.123 -7.118 -5.822 232 HB THR 33 HB THR 33 -2.602 -8.479 -3.536 233 HG1 THR 33 HG1 THR 33 -1.843 -8.725 -5.841 234 HG21 THR 33 3HG2 THR 33 -5.057 -8.741 -3.314 235 HG22 THR 33 1HG2 THR 33 -4.302 -10.276 -3.752 236 HG23 THR 33 2HG2 THR 33 -5.153 -9.329 -4.974 237 H VAL 34 H VAL 34 -2.389 -5.923 -2.974 238 HA VAL 34 HA VAL 34 -4.520 -5.424 -1.227 239 HB VAL 34 HB VAL 34 -1.776 -4.107 -1.504 240 HG11 VAL 34 1HG1 VAL 34 -2.072 -3.116 0.745 241 HG12 VAL 34 2HG1 VAL 34 -3.760 -3.644 0.746 242 HG13 VAL 34 3HG1 VAL 34 -3.211 -2.451 -0.431 243 HG21 VAL 34 3HG2 VAL 34 -1.185 -5.426 0.499 244 HG22 VAL 34 1HG2 VAL 34 -1.745 -6.472 -0.803 245 HG23 VAL 34 2HG2 VAL 34 -2.815 -6.107 0.552 246 H LEU 35 H LEU 35 -2.951 -3.327 -3.631 247 HA LEU 35 HA LEU 35 -4.608 -1.048 -3.250 248 HB2 LEU 35 1HB LEU 35 -2.890 -1.885 -5.616 249 HB3 LEU 35 2HB LEU 35 -3.634 -0.305 -5.437 250 HG LEU 35 HG LEU 35 -1.491 -1.454 -3.599 251 HD11 LEU 35 1HD1 LEU 35 -0.582 -0.879 -5.807 252 HD12 LEU 35 2HD1 LEU 35 0.011 0.236 -4.580 253 HD13 LEU 35 3HD1 LEU 35 -1.267 0.744 -5.687 254 HD21 LEU 35 3HD2 LEU 35 -2.999 0.030 -2.345 255 HD22 LEU 35 1HD2 LEU 35 -2.786 1.304 -3.553 256 HD23 LEU 35 2HD2 LEU 35 -1.424 0.791 -2.552 257 H SER 36 H SER 36 -4.817 -3.867 -5.381 258 HA SER 36 HA SER 36 -6.774 -2.924 -7.196 259 HB2 SER 36 1HB SER 36 -5.327 -4.848 -7.718 260 HB3 SER 36 2HB SER 36 -6.055 -5.785 -6.425 261 HG SER 36 HG SER 36 -7.720 -4.741 -8.426 262 H VAL 37 H VAL 37 -6.999 -4.689 -4.153 263 HA VAL 37 HA VAL 37 -9.871 -5.020 -4.237 264 HB VAL 37 HB VAL 37 -7.899 -5.461 -1.933 265 HG11 VAL 37 1HG1 VAL 37 -10.172 -5.179 -1.065 266 HG12 VAL 37 2HG1 VAL 37 -9.670 -6.859 -0.903 267 HG13 VAL 37 3HG1 VAL 37 -10.789 -6.391 -2.188 268 HG21 VAL 37 3HG2 VAL 37 -8.034 -7.863 -2.506 269 HG22 VAL 37 1HG2 VAL 37 -7.413 -6.922 -3.863 270 HG23 VAL 37 2HG2 VAL 37 -9.083 -7.493 -3.878 271 H ALA 38 H ALA 38 -7.578 -2.700 -2.927 272 HA ALA 38 HA ALA 38 -9.427 -1.310 -1.198 273 HB1 ALA 38 3HB ALA 38 -7.603 0.305 -0.886 274 HB2 ALA 38 1HB ALA 38 -6.700 -0.434 -2.214 275 HB3 ALA 38 2HB ALA 38 -7.003 -1.348 -0.734 276 H SER 39 H SER 39 -8.585 -1.081 -4.591 277 HA SER 39 HA SER 39 -9.987 1.516 -4.849 278 HB2 SER 39 1HB SER 39 -8.773 1.776 -6.999 279 HB3 SER 39 2HB SER 39 -7.654 1.569 -5.655 280 HG SER 39 HG SER 39 -6.907 -0.136 -6.600 281 H GLY 40 H GLY 40 -9.462 -1.426 -6.847 282 HA2 GLY 40 1HA GLY 40 -11.675 -2.656 -7.326 283 HA3 GLY 40 2HA GLY 40 -12.177 -1.107 -7.996 284 H VAL 41 H VAL 41 -9.378 -0.582 -9.011 285 HA VAL 41 HA VAL 41 -9.661 -1.740 -11.595 286 HB VAL 41 HB VAL 41 -7.448 -0.670 -12.116 287 HG11 VAL 41 1HG1 VAL 41 -9.471 1.174 -10.811 288 HG12 VAL 41 2HG1 VAL 41 -9.520 0.580 -12.470 289 HG13 VAL 41 3HG1 VAL 41 -8.224 1.664 -11.968 290 HG21 VAL 41 3HG2 VAL 41 -7.524 0.286 -9.231 291 HG22 VAL 41 1HG2 VAL 41 -6.386 0.842 -10.464 292 HG23 VAL 41 2HG2 VAL 41 -6.353 -0.837 -9.924 293 HA PRO 42 HA PRO 42 -7.551 -5.703 -10.901 294 HB2 PRO 42 1HB PRO 42 -7.036 -5.516 -13.871 295 HB3 PRO 42 2HB PRO 42 -7.780 -6.827 -12.939 296 HG2 PRO 42 1HG PRO 42 -9.313 -5.230 -14.426 297 HG3 PRO 42 2HG PRO 42 -9.861 -5.729 -12.808 298 HD2 PRO 42 1HD PRO 42 -8.629 -3.103 -13.665 299 HD3 PRO 42 2HD PRO 42 -10.027 -3.402 -12.603 300 H LYS 43 H LYS 43 -5.397 -6.626 -11.084 301 HA LYS 43 HA LYS 43 -3.298 -4.798 -10.570 302 HB2 LYS 43 1HB LYS 43 -3.151 -7.767 -11.203 303 HB3 LYS 43 2HB LYS 43 -1.821 -6.812 -10.551 304 HG2 LYS 43 1HG LYS 43 -3.185 -6.336 -8.516 305 HG3 LYS 43 2HG LYS 43 -4.470 -7.363 -9.160 306 HD2 LYS 43 1HD LYS 43 -1.640 -8.295 -8.518 307 HD3 LYS 43 2HD LYS 43 -3.052 -8.542 -7.493 308 HE2 LYS 43 1HE LYS 43 -4.102 -9.929 -9.216 309 HE3 LYS 43 2HE LYS 43 -2.744 -9.646 -10.310 310 HZ1 LYS 43 3HZ LYS 43 -2.626 -11.782 -9.134 311 HZ2 LYS 43 1HZ LYS 43 -2.517 -10.962 -7.666 312 HZ3 LYS 43 2HZ LYS 43 -1.295 -10.793 -8.819 313 H GLU 44 H GLU 44 -4.409 -6.163 -13.525 314 HA GLU 44 HA GLU 44 -2.104 -5.935 -15.151 315 HB2 GLU 44 1HB GLU 44 -5.052 -5.778 -15.900 316 HB3 GLU 44 2HB GLU 44 -3.730 -6.057 -17.031 317 HG2 GLU 44 1HG GLU 44 -3.208 -8.202 -15.916 318 HG3 GLU 44 2HG GLU 44 -4.492 -7.913 -14.744 319 H GLU 45 H GLU 45 -4.426 -3.600 -14.003 320 HA GLU 45 HA GLU 45 -3.383 -1.443 -15.727 321 HB2 GLU 45 1HB GLU 45 -5.783 -1.528 -13.860 322 HB3 GLU 45 2HB GLU 45 -5.306 -0.118 -14.803 323 HG2 GLU 45 1HG GLU 45 -5.643 -1.464 -16.893 324 HG3 GLU 45 2HG GLU 45 -6.247 -2.787 -15.898 325 H ILE 46 H ILE 46 -2.293 -2.773 -13.011 326 HA ILE 46 HA ILE 46 -1.729 -0.215 -11.597 327 HB ILE 46 HB ILE 46 -1.572 -3.029 -10.404 328 HG12 ILE 46 1HG1 ILE 46 -3.802 -0.951 -10.082 329 HG13 ILE 46 2HG1 ILE 46 -3.934 -2.453 -10.986 330 HG21 ILE 46 1HG2 ILE 46 -0.109 -1.373 -9.291 331 HG22 ILE 46 2HG2 ILE 46 -1.433 -1.831 -8.223 332 HG23 ILE 46 3HG2 ILE 46 -1.477 -0.281 -9.068 333 HD11 ILE 46 3HD1 ILE 46 -5.026 -2.648 -8.866 334 HD12 ILE 46 1HD1 ILE 46 -3.553 -2.185 -8.014 335 HD13 ILE 46 2HD1 ILE 46 -3.619 -3.711 -8.900 336 H SER 47 H SER 47 0.373 0.303 -11.164 337 HA SER 47 HA SER 47 2.623 -1.477 -11.697 338 HB2 SER 47 1HB SER 47 2.240 1.120 -13.285 339 HB3 SER 47 2HB SER 47 3.677 0.096 -13.323 340 HG SER 47 HG SER 47 1.758 -1.531 -13.879 341 H ARG 48 H ARG 48 4.730 -0.265 -11.150 342 HA ARG 48 HA ARG 48 4.572 1.346 -8.796 343 HB2 ARG 48 1HB ARG 48 6.951 1.495 -8.829 344 HB3 ARG 48 2HB ARG 48 6.590 -0.088 -9.492 345 HG2 ARG 48 1HG ARG 48 7.342 2.353 -11.135 346 HG3 ARG 48 2HG ARG 48 8.459 1.080 -10.658 347 HD2 ARG 48 1HD ARG 48 7.308 -0.537 -12.049 348 HD3 ARG 48 2HD ARG 48 5.999 0.607 -12.377 349 HE ARG 48 HE ARG 48 8.501 1.690 -13.180 350 HH11 ARG 48 1HH1 ARG 48 6.145 -0.686 -14.222 351 HH12 ARG 48 2HH1 ARG 48 6.492 -0.465 -15.904 352 HH21 ARG 48 1HH2 ARG 48 8.938 1.972 -15.383 353 HH22 ARG 48 2HH2 ARG 48 8.073 1.040 -16.566 354 H ASP 49 H ASP 49 4.650 2.063 -12.188 355 HA ASP 49 HA ASP 49 4.971 4.945 -11.883 356 HB2 ASP 49 1HB ASP 49 6.113 3.576 -13.723 357 HB3 ASP 49 2HB ASP 49 4.528 3.330 -14.450 358 H SER 50 H SER 50 2.474 3.111 -11.125 359 HA SER 50 HA SER 50 0.284 4.313 -12.511 360 HB2 SER 50 1HB SER 50 -0.022 2.174 -11.331 361 HB3 SER 50 2HB SER 50 0.348 2.943 -9.790 362 HG SER 50 HG SER 50 -1.737 3.998 -11.339 363 H ARG 51 H ARG 51 2.340 5.326 -9.873 364 HA ARG 51 HA ARG 51 2.681 7.314 -8.848 365 HB2 ARG 51 1HB ARG 51 1.123 8.454 -11.203 366 HB3 ARG 51 2HB ARG 51 2.205 9.366 -10.150 367 HG2 ARG 51 1HG ARG 51 4.129 8.085 -10.969 368 HG3 ARG 51 2HG ARG 51 3.062 7.073 -11.942 369 HD2 ARG 51 1HD ARG 51 2.334 9.279 -13.088 370 HD3 ARG 51 2HD ARG 51 3.775 9.980 -12.346 371 HE ARG 51 HE ARG 51 4.542 7.645 -13.667 372 HH11 ARG 51 1HH1 ARG 51 3.377 10.863 -14.512 373 HH12 ARG 51 2HH1 ARG 51 4.034 10.788 -16.113 374 HH21 ARG 51 1HH2 ARG 51 5.354 7.575 -15.772 375 HH22 ARG 51 2HH2 ARG 51 5.134 8.938 -16.831 376 H MET 52 H MET 52 0.064 5.864 -8.271 377 HA MET 52 HA MET 52 -1.673 6.026 -6.840 378 HB2 MET 52 1HB MET 52 -0.381 8.641 -5.952 379 HB3 MET 52 2HB MET 52 -1.615 7.758 -5.076 380 HG2 MET 52 1HG MET 52 1.186 6.784 -5.596 381 HG3 MET 52 2HG MET 52 0.594 7.473 -4.084 382 HE1 MET 52 3HE MET 52 0.921 5.651 -2.361 383 HE2 MET 52 1HE MET 52 2.008 4.974 -3.580 384 HE3 MET 52 2HE MET 52 0.848 3.933 -2.757 385 H GLU 53 H GLU 53 -2.523 6.622 -9.297 386 HA GLU 53 HA GLU 53 -3.785 9.167 -9.594 387 HB2 GLU 53 1HB GLU 53 -4.595 6.563 -10.957 388 HB3 GLU 53 2HB GLU 53 -5.038 8.186 -11.467 389 HG2 GLU 53 1HG GLU 53 -2.319 6.884 -11.590 390 HG3 GLU 53 2HG GLU 53 -3.332 7.378 -12.935 391 H ASP 54 H ASP 54 -5.407 6.030 -9.302 392 HA ASP 54 HA ASP 54 -7.618 7.187 -7.701 393 HB2 ASP 54 1HB ASP 54 -8.298 6.103 -9.792 394 HB3 ASP 54 2HB ASP 54 -7.361 4.669 -9.417 395 H LEU 55 H LEU 55 -4.826 5.251 -7.490 396 HA LEU 55 HA LEU 55 -5.810 3.376 -5.471 397 HB2 LEU 55 1HB LEU 55 -3.119 3.487 -6.898 398 HB3 LEU 55 2HB LEU 55 -3.681 2.212 -5.825 399 HG LEU 55 HG LEU 55 -5.636 1.904 -7.559 400 HD11 LEU 55 1HD1 LEU 55 -5.228 3.912 -8.916 401 HD12 LEU 55 2HD1 LEU 55 -5.104 2.451 -9.890 402 HD13 LEU 55 3HD1 LEU 55 -3.640 3.299 -9.380 403 HD21 LEU 55 3HD2 LEU 55 -4.301 0.319 -8.838 404 HD22 LEU 55 1HD2 LEU 55 -3.925 0.258 -7.120 405 HD23 LEU 55 2HD2 LEU 55 -2.816 1.058 -8.234 406 H ALA 56 H ALA 56 -5.295 3.508 -3.405 407 HA ALA 56 HA ALA 56 -4.414 3.989 -1.415 408 HB1 ALA 56 3HB ALA 56 -2.245 3.308 -2.365 409 HB2 ALA 56 1HB ALA 56 -2.052 4.578 -1.154 410 HB3 ALA 56 2HB ALA 56 -1.947 4.968 -2.871 411 H PHE 57 H PHE 57 -3.198 6.706 -3.376 412 HA PHE 57 HA PHE 57 -3.440 8.722 -1.509 413 HB2 PHE 57 1HB PHE 57 -2.089 8.738 -3.662 414 HB3 PHE 57 2HB PHE 57 -3.579 9.062 -4.532 415 HD1 PHE 57 HD1 PHE 57 -1.158 10.453 -2.066 416 HD2 PHE 57 HD2 PHE 57 -4.468 11.329 -4.642 417 HE1 PHE 57 HE1 PHE 57 -0.765 12.863 -1.764 418 HE2 PHE 57 HE2 PHE 57 -4.066 13.732 -4.332 419 HZ PHE 57 HZ PHE 57 -2.215 14.505 -2.898 420 H ASP 58 H ASP 58 -5.359 8.667 -0.501 421 HA ASP 58 HA ASP 58 -7.424 10.397 -1.161 422 HB2 ASP 58 1HB ASP 58 -8.237 8.723 -2.799 423 HB3 ASP 58 2HB ASP 58 -8.159 7.451 -1.584 424 H SER 59 H SER 59 -8.805 10.617 0.737 425 HA SER 59 HA SER 59 -7.526 10.059 3.168 426 HB2 SER 59 1HB SER 59 -9.670 10.867 4.232 427 HB3 SER 59 2HB SER 59 -9.036 11.939 2.982 428 HG SER 59 HG SER 59 -11.163 10.068 2.726 429 H LEU 60 H LEU 60 -10.327 8.411 1.674 430 HA LEU 60 HA LEU 60 -10.791 6.564 3.820 431 HB2 LEU 60 1HB LEU 60 -12.602 7.118 2.281 432 HB3 LEU 60 2HB LEU 60 -11.670 6.548 0.909 433 HG LEU 60 HG LEU 60 -11.798 4.207 1.859 434 HD11 LEU 60 1HD1 LEU 60 -13.764 5.408 3.839 435 HD12 LEU 60 2HD1 LEU 60 -12.188 4.713 4.219 436 HD13 LEU 60 3HD1 LEU 60 -13.472 3.683 3.593 437 HD21 LEU 60 3HD2 LEU 60 -14.125 3.792 1.167 438 HD22 LEU 60 1HD2 LEU 60 -13.310 4.905 0.065 439 HD23 LEU 60 2HD2 LEU 60 -14.464 5.523 1.249 440 H VAL 61 H VAL 61 -9.136 6.327 0.662 441 HA VAL 61 HA VAL 61 -8.672 3.503 0.867 442 HB VAL 61 HB VAL 61 -7.294 5.429 -1.068 443 HG11 VAL 61 1HG1 VAL 61 -7.121 3.439 -2.544 444 HG12 VAL 61 2HG1 VAL 61 -7.872 2.438 -1.296 445 HG13 VAL 61 3HG1 VAL 61 -6.295 3.169 -1.006 446 HG21 VAL 61 3HG2 VAL 61 -9.743 5.741 -1.182 447 HG22 VAL 61 1HG2 VAL 61 -9.976 4.002 -1.401 448 HG23 VAL 61 2HG2 VAL 61 -9.152 4.951 -2.642 449 H VAL 62 H VAL 62 -6.807 6.336 1.781 450 HA VAL 62 HA VAL 62 -4.348 4.981 2.378 451 HB VAL 62 HB VAL 62 -5.436 7.713 3.226 452 HG11 VAL 62 1HG1 VAL 62 -4.143 6.962 5.163 453 HG12 VAL 62 2HG1 VAL 62 -3.234 8.210 4.317 454 HG13 VAL 62 3HG1 VAL 62 -2.783 6.513 4.136 455 HG21 VAL 62 3HG2 VAL 62 -3.516 8.576 1.892 456 HG22 VAL 62 1HG2 VAL 62 -4.574 7.550 0.927 457 HG23 VAL 62 2HG2 VAL 62 -3.033 6.919 1.511 458 H SER 63 H SER 63 -7.226 5.915 4.314 459 HA SER 63 HA SER 63 -6.370 4.919 6.823 460 HB2 SER 63 1HB SER 63 -9.187 5.216 5.692 461 HB3 SER 63 2HB SER 63 -8.818 4.891 7.391 462 HG SER 63 HG SER 63 -7.617 7.085 6.105 463 H GLU 64 H GLU 64 -7.952 3.374 4.088 464 HA GLU 64 HA GLU 64 -8.387 0.858 5.383 465 HB2 GLU 64 1HB GLU 64 -9.709 1.818 3.370 466 HB3 GLU 64 2HB GLU 64 -8.345 1.306 2.375 467 HG2 GLU 64 1HG GLU 64 -8.662 -1.027 3.197 468 HG3 GLU 64 2HG GLU 64 -10.073 -0.495 4.112 469 H LEU 65 H LEU 65 -5.916 2.252 3.255 470 HA LEU 65 HA LEU 65 -4.324 -0.070 2.903 471 HB2 LEU 65 1HB LEU 65 -4.154 1.976 1.487 472 HB3 LEU 65 2HB LEU 65 -3.436 2.834 2.842 473 HG LEU 65 HG LEU 65 -1.456 1.321 2.760 474 HD11 LEU 65 1HD1 LEU 65 -2.768 0.045 0.330 475 HD12 LEU 65 2HD1 LEU 65 -2.498 -0.724 1.896 476 HD13 LEU 65 3HD1 LEU 65 -1.122 -0.260 0.900 477 HD21 LEU 65 3HD2 LEU 65 -2.085 2.603 0.072 478 HD22 LEU 65 1HD2 LEU 65 -0.478 2.147 0.650 479 HD23 LEU 65 2HD2 LEU 65 -1.384 3.412 1.476 480 H SER 66 H SER 66 -4.581 2.281 5.452 481 HA SER 66 HA SER 66 -2.285 1.726 6.968 482 HB2 SER 66 1HB SER 66 -5.028 2.703 7.892 483 HB3 SER 66 2HB SER 66 -3.555 2.751 8.865 484 HG SER 66 HG SER 66 -2.663 4.170 7.368 485 H LEU 67 H LEU 67 -5.633 0.416 7.203 486 HA LEU 67 HA LEU 67 -4.866 -1.545 9.184 487 HB2 LEU 67 1HB LEU 67 -7.171 -2.416 9.004 488 HB3 LEU 67 2HB LEU 67 -7.091 -0.695 9.301 489 HG LEU 67 HG LEU 67 -7.520 -0.425 6.744 490 HD11 LEU 67 1HD1 LEU 67 -8.505 -3.276 7.052 491 HD12 LEU 67 2HD1 LEU 67 -7.189 -2.721 6.019 492 HD13 LEU 67 3HD1 LEU 67 -8.840 -2.215 5.679 493 HD21 LEU 67 3HD2 LEU 67 -9.748 -1.426 8.538 494 HD22 LEU 67 1HD2 LEU 67 -9.949 -0.486 7.056 495 HD23 LEU 67 2HD2 LEU 67 -9.142 0.229 8.450 496 H LYS 68 H LYS 68 -4.772 -1.551 5.686 497 HA LYS 68 HA LYS 68 -4.671 -4.366 5.257 498 HB2 LYS 68 1HB LYS 68 -3.076 -2.285 3.684 499 HB3 LYS 68 2HB LYS 68 -3.404 -3.935 3.179 500 HG2 LYS 68 1HG LYS 68 -5.401 -1.688 3.414 501 HG3 LYS 68 2HG LYS 68 -4.718 -2.337 1.933 502 HD2 LYS 68 1HD LYS 68 -5.847 -4.536 2.463 503 HD3 LYS 68 2HD LYS 68 -6.642 -3.738 3.827 504 HE2 LYS 68 1HE LYS 68 -7.545 -2.034 2.185 505 HE3 LYS 68 2HE LYS 68 -6.908 -3.039 0.886 506 HZ1 LYS 68 3HZ LYS 68 -8.363 -4.815 1.590 507 HZ2 LYS 68 1HZ LYS 68 -9.254 -3.409 1.289 508 HZ3 LYS 68 2HZ LYS 68 -8.935 -3.884 2.878 509 H LEU 69 H LEU 69 -2.021 -1.971 5.525 510 HA LEU 69 HA LEU 69 0.128 -3.791 5.488 511 HB2 LEU 69 1HB LEU 69 0.042 -0.987 6.659 512 HB3 LEU 69 2HB LEU 69 1.502 -1.867 6.243 513 HG LEU 69 HG LEU 69 -0.596 -0.887 4.265 514 HD11 LEU 69 1HD1 LEU 69 0.694 0.972 5.188 515 HD12 LEU 69 2HD1 LEU 69 1.108 0.706 3.496 516 HD13 LEU 69 3HD1 LEU 69 2.207 0.160 4.764 517 HD21 LEU 69 3HD2 LEU 69 0.955 -1.585 2.488 518 HD22 LEU 69 1HD2 LEU 69 0.421 -2.962 3.450 519 HD23 LEU 69 2HD2 LEU 69 2.036 -2.291 3.692 520 H ARG 70 H ARG 70 -1.767 -2.477 8.108 521 HA ARG 70 HA ARG 70 -0.404 -3.200 10.399 522 HB2 ARG 70 1HB ARG 70 -2.542 -1.883 10.200 523 HB3 ARG 70 2HB ARG 70 -3.410 -3.364 9.866 524 HG2 ARG 70 1HG ARG 70 -1.947 -2.948 12.493 525 HG3 ARG 70 2HG ARG 70 -3.576 -2.333 12.230 526 HD2 ARG 70 1HD ARG 70 -4.289 -4.680 11.671 527 HD3 ARG 70 2HD ARG 70 -2.682 -5.221 12.170 528 HE ARG 70 HE ARG 70 -3.960 -3.654 14.189 529 HH11 ARG 70 1HH1 ARG 70 -3.724 -6.905 12.908 530 HH12 ARG 70 2HH1 ARG 70 -4.418 -7.641 14.314 531 HH21 ARG 70 1HH2 ARG 70 -4.878 -4.636 16.039 532 HH22 ARG 70 2HH2 ARG 70 -5.065 -6.363 16.086 533 H LYS 71 H LYS 71 -2.630 -5.197 8.451 534 HA LYS 71 HA LYS 71 -2.083 -7.615 10.023 535 HB2 LYS 71 1HB LYS 71 -3.946 -7.143 7.662 536 HB3 LYS 71 2HB LYS 71 -3.879 -8.612 8.632 537 HG2 LYS 71 1HG LYS 71 -4.625 -7.335 10.622 538 HG3 LYS 71 2HG LYS 71 -4.709 -5.866 9.648 539 HD2 LYS 71 1HD LYS 71 -6.371 -8.382 9.206 540 HD3 LYS 71 2HD LYS 71 -6.947 -6.900 9.968 541 HE2 LYS 71 1HE LYS 71 -6.639 -5.666 7.871 542 HE3 LYS 71 2HE LYS 71 -5.964 -7.100 7.094 543 HZ1 LYS 71 3HZ LYS 71 -8.738 -6.814 8.117 544 HZ2 LYS 71 1HZ LYS 71 -8.094 -8.215 7.422 545 HZ3 LYS 71 2HZ LYS 71 -8.268 -6.814 6.495 546 H GLU 72 H GLU 72 -1.012 -6.129 7.101 547 HA GLU 72 HA GLU 72 -0.639 -8.570 5.566 548 HB2 GLU 72 1HB GLU 72 -1.504 -6.355 4.602 549 HB3 GLU 72 2HB GLU 72 0.133 -5.736 4.763 550 HG2 GLU 72 1HG GLU 72 -0.273 -6.442 2.475 551 HG3 GLU 72 2HG GLU 72 0.945 -7.484 3.211 552 H PHE 73 H PHE 73 1.448 -5.891 6.686 553 HA PHE 73 HA PHE 73 3.825 -7.662 6.488 554 HB2 PHE 73 1HB PHE 73 3.662 -4.635 6.112 555 HB3 PHE 73 2HB PHE 73 5.155 -5.573 6.089 556 HD1 PHE 73 HD1 PHE 73 5.360 -7.449 4.287 557 HD2 PHE 73 HD2 PHE 73 2.427 -4.335 4.075 558 HE1 PHE 73 HE1 PHE 73 5.068 -7.881 1.883 559 HE2 PHE 73 HE2 PHE 73 2.147 -4.773 1.667 560 HZ PHE 73 HZ PHE 73 3.465 -6.546 0.568 561 H GLY 74 H GLY 74 1.749 -6.245 8.655 562 HA2 GLY 74 1HA GLY 74 1.820 -6.316 10.968 563 HA3 GLY 74 2HA GLY 74 3.541 -6.660 10.910 564 H VAL 75 H VAL 75 3.156 -4.069 8.942 565 HA VAL 75 HA VAL 75 4.093 -2.179 10.974 566 HB VAL 75 HB VAL 75 3.862 -1.664 7.964 567 HG11 VAL 75 1HG1 VAL 75 5.626 0.022 8.344 568 HG12 VAL 75 2HG1 VAL 75 5.668 -0.388 10.060 569 HG13 VAL 75 3HG1 VAL 75 4.222 0.338 9.364 570 HG21 VAL 75 3HG2 VAL 75 6.223 -2.375 7.717 571 HG22 VAL 75 1HG2 VAL 75 5.214 -3.711 8.277 572 HG23 VAL 75 2HG2 VAL 75 6.262 -2.862 9.413 573 H THR 76 H THR 76 2.361 -1.334 12.097 574 HA THR 76 HA THR 76 -0.279 -1.202 10.907 575 HB THR 76 HB THR 76 -0.124 -2.057 13.165 576 HG1 THR 76 HG1 THR 76 -1.362 0.219 13.958 577 HG21 THR 76 3HG2 THR 76 0.952 0.650 14.036 578 HG22 THR 76 1HG2 THR 76 1.870 -0.859 13.994 579 HG23 THR 76 2HG2 THR 76 0.510 -0.685 15.102 580 H GLY 77 H GLY 77 -1.527 0.551 10.517 581 HA2 GLY 77 1HA GLY 77 -2.231 2.710 10.286 582 HA3 GLY 77 2HA GLY 77 -0.969 3.210 11.391 583 H VAL 78 H VAL 78 1.120 3.682 10.553 584 HA VAL 78 HA VAL 78 2.615 4.653 9.180 585 HB VAL 78 HB VAL 78 1.395 3.176 6.794 586 HG11 VAL 78 1HG1 VAL 78 3.744 3.027 5.985 587 HG12 VAL 78 2HG1 VAL 78 4.279 3.926 7.408 588 HG13 VAL 78 3HG1 VAL 78 3.223 4.695 6.227 589 HG21 VAL 78 3HG2 VAL 78 1.576 1.514 8.595 590 HG22 VAL 78 1HG2 VAL 78 3.266 1.938 8.847 591 HG23 VAL 78 2HG2 VAL 78 2.762 1.181 7.333 592 H ASP 79 H ASP 79 -0.019 5.874 9.658 593 HA ASP 79 HA ASP 79 -1.419 6.769 7.425 594 HB2 ASP 79 1HB ASP 79 -1.217 8.027 10.194 595 HB3 ASP 79 2HB ASP 79 -2.431 8.470 8.996 596 H ASP 80 H ASP 80 1.207 8.347 9.199 597 HA ASP 80 HA ASP 80 1.130 10.882 7.968 598 HB2 ASP 80 1HB ASP 80 3.451 9.394 9.272 599 HB3 ASP 80 2HB ASP 80 3.539 11.078 8.762 600 H GLU 81 H GLU 81 2.898 7.921 7.182 601 HA GLU 81 HA GLU 81 4.473 9.084 5.109 602 HB2 GLU 81 1HB GLU 81 5.114 7.028 6.495 603 HB3 GLU 81 2HB GLU 81 3.985 6.105 5.512 604 HG2 GLU 81 1HG GLU 81 6.247 5.830 4.659 605 HG3 GLU 81 2HG GLU 81 5.272 6.707 3.480 606 H LEU 82 H LEU 82 1.614 6.967 5.145 607 HA LEU 82 HA LEU 82 1.371 6.537 2.358 608 HB2 LEU 82 1HB LEU 82 -0.805 6.502 4.489 609 HB3 LEU 82 2HB LEU 82 -0.942 5.802 2.886 610 HG LEU 82 HG LEU 82 0.933 4.851 5.084 611 HD11 LEU 82 1HD1 LEU 82 -0.471 2.832 5.165 612 HD12 LEU 82 2HD1 LEU 82 -1.573 3.543 3.984 613 HD13 LEU 82 3HD1 LEU 82 -1.391 4.280 5.577 614 HD21 LEU 82 3HD2 LEU 82 1.979 4.500 2.909 615 HD22 LEU 82 1HD2 LEU 82 0.522 3.703 2.306 616 HD23 LEU 82 2HD2 LEU 82 1.472 2.961 3.593 617 H ASP 83 H ASP 83 0.191 9.101 4.450 618 HA ASP 83 HA ASP 83 -1.371 10.541 2.561 619 HB2 ASP 83 1HB ASP 83 -1.580 11.051 4.922 620 HB3 ASP 83 2HB ASP 83 0.137 11.388 5.074 621 H LEU 84 H LEU 84 2.071 10.685 3.489 622 HA LEU 84 HA LEU 84 2.757 12.892 1.800 623 HB2 LEU 84 1HB LEU 84 3.899 12.153 3.956 624 HB3 LEU 84 2HB LEU 84 4.618 10.836 3.061 625 HG LEU 84 HG LEU 84 6.086 12.914 3.560 626 HD11 LEU 84 1HD1 LEU 84 5.975 12.024 0.665 627 HD12 LEU 84 2HD1 LEU 84 6.828 11.196 1.969 628 HD13 LEU 84 3HD1 LEU 84 7.335 12.809 1.474 629 HD21 LEU 84 3HD2 LEU 84 5.896 14.833 2.056 630 HD22 LEU 84 1HD2 LEU 84 4.411 14.622 2.984 631 HD23 LEU 84 2HD2 LEU 84 4.472 14.126 1.290 632 H LEU 85 H LEU 85 2.538 9.425 1.277 633 HA LEU 85 HA LEU 85 4.335 9.188 -0.906 634 HB2 LEU 85 1HB LEU 85 1.967 7.435 -0.165 635 HB3 LEU 85 2HB LEU 85 3.152 7.036 -1.401 636 HG LEU 85 HG LEU 85 3.645 7.247 1.587 637 HD11 LEU 85 1HD1 LEU 85 2.510 5.225 0.944 638 HD12 LEU 85 2HD1 LEU 85 4.168 4.855 1.412 639 HD13 LEU 85 3HD1 LEU 85 3.721 4.902 -0.296 640 HD21 LEU 85 3HD2 LEU 85 5.643 8.118 0.433 641 HD22 LEU 85 1HD2 LEU 85 5.708 6.666 -0.570 642 HD23 LEU 85 2HD2 LEU 85 5.973 6.554 1.170 643 H GLU 86 H GLU 86 4.114 10.166 -2.755 644 HA GLU 86 HA GLU 86 1.466 10.916 -3.828 645 HB2 GLU 86 1HB GLU 86 3.152 12.702 -3.400 646 HB3 GLU 86 2HB GLU 86 4.268 11.915 -4.511 647 HG2 GLU 86 1HG GLU 86 2.753 12.349 -6.390 648 HG3 GLU 86 2HG GLU 86 1.563 13.054 -5.297 649 H THR 87 H THR 87 4.208 8.820 -4.411 650 HA THR 87 HA THR 87 2.934 7.833 -6.903 651 HB THR 87 HB THR 87 5.249 7.206 -7.730 652 HG1 THR 87 HG1 THR 87 6.712 8.977 -6.412 653 HG21 THR 87 3HG2 THR 87 4.125 9.224 -8.626 654 HG22 THR 87 1HG2 THR 87 5.873 9.466 -8.519 655 HG23 THR 87 2HG2 THR 87 4.805 10.190 -7.317 656 H VAL 88 H VAL 88 3.004 5.611 -7.292 657 HA VAL 88 HA VAL 88 2.871 3.901 -5.023 658 HB VAL 88 HB VAL 88 3.083 3.051 -7.957 659 HG11 VAL 88 1HG1 VAL 88 3.459 1.184 -6.390 660 HG12 VAL 88 2HG1 VAL 88 1.946 0.973 -7.267 661 HG13 VAL 88 3HG1 VAL 88 1.924 1.523 -5.586 662 HG21 VAL 88 3HG2 VAL 88 0.620 2.980 -7.989 663 HG22 VAL 88 1HG2 VAL 88 1.210 4.613 -7.673 664 HG23 VAL 88 2HG2 VAL 88 0.566 3.635 -6.351 665 H ASP 89 H ASP 89 5.439 4.696 -7.286 666 HA ASP 89 HA ASP 89 7.270 2.645 -6.730 667 HB2 ASP 89 1HB ASP 89 7.484 4.340 -8.566 668 HB3 ASP 89 2HB ASP 89 7.918 5.555 -7.363 669 H GLU 90 H GLU 90 6.701 5.767 -5.062 670 HA GLU 90 HA GLU 90 8.665 5.445 -3.031 671 HB2 GLU 90 1HB GLU 90 6.170 7.172 -3.177 672 HB3 GLU 90 2HB GLU 90 7.249 7.202 -1.787 673 HG2 GLU 90 1HG GLU 90 8.037 7.894 -4.635 674 HG3 GLU 90 2HG GLU 90 7.696 9.053 -3.352 675 H LEU 91 H LEU 91 5.309 4.348 -3.296 676 HA LEU 91 HA LEU 91 5.013 3.318 -0.659 677 HB2 LEU 91 1HB LEU 91 3.088 3.554 -2.130 678 HB3 LEU 91 2HB LEU 91 3.762 2.405 -3.268 679 HG LEU 91 HG LEU 91 3.476 0.585 -1.552 680 HD11 LEU 91 1HD1 LEU 91 3.548 1.919 0.510 681 HD12 LEU 91 2HD1 LEU 91 2.077 0.955 0.442 682 HD13 LEU 91 3HD1 LEU 91 2.010 2.684 0.090 683 HD21 LEU 91 3HD2 LEU 91 1.037 0.380 -1.800 684 HD22 LEU 91 1HD2 LEU 91 1.787 0.934 -3.296 685 HD23 LEU 91 2HD2 LEU 91 0.930 2.080 -2.262 686 H PHE 92 H PHE 92 6.390 1.897 -3.627 687 HA PHE 92 HA PHE 92 7.033 -0.647 -2.568 688 HB2 PHE 92 1HB PHE 92 8.144 0.921 -4.917 689 HB3 PHE 92 2HB PHE 92 8.893 -0.595 -4.438 690 HD1 PHE 92 HD2 PHE 92 7.560 -2.744 -4.522 691 HD2 PHE 92 HD1 PHE 92 6.053 0.911 -6.177 692 HE1 PHE 92 HE2 PHE 92 5.907 -4.008 -5.837 693 HE2 PHE 92 HE1 PHE 92 4.411 -0.368 -7.473 694 HZ PHE 92 HZ PHE 92 4.328 -2.807 -7.309 695 H GLN 93 H GLN 93 8.840 2.433 -2.619 696 HA GLN 93 HA GLN 93 11.274 1.492 -1.529 697 HB2 GLN 93 1HB GLN 93 10.097 4.276 -1.144 698 HB3 GLN 93 2HB GLN 93 11.790 3.826 -0.986 699 HG2 GLN 93 1HG GLN 93 10.161 3.866 -3.530 700 HG3 GLN 93 2HG GLN 93 11.408 5.016 -3.068 701 HE21 GLN 93 2HE2 GLN 93 11.164 3.312 -5.429 702 HE22 GLN 93 1HE2 GLN 93 12.618 2.382 -5.491 703 H LEU 94 H LEU 94 8.352 2.765 -0.019 704 HA LEU 94 HA LEU 94 9.097 2.768 2.678 705 HB2 LEU 94 1HB LEU 94 7.091 3.910 2.004 706 HB3 LEU 94 2HB LEU 94 6.413 2.453 1.294 707 HG LEU 94 HG LEU 94 6.187 1.476 3.606 708 HD11 LEU 94 1HD1 LEU 94 6.338 2.954 5.586 709 HD12 LEU 94 2HD1 LEU 94 7.024 4.226 4.575 710 HD13 LEU 94 3HD1 LEU 94 7.903 2.718 4.808 711 HD21 LEU 94 3HD2 LEU 94 4.732 4.105 3.202 712 HD22 LEU 94 1HD2 LEU 94 4.217 2.769 4.234 713 HD23 LEU 94 2HD2 LEU 94 4.284 2.553 2.489 714 H VAL 95 H VAL 95 7.240 0.272 0.896 715 HA VAL 95 HA VAL 95 6.993 -1.480 3.102 716 HB VAL 95 HB VAL 95 6.600 -2.054 0.128 717 HG11 VAL 95 1HG1 VAL 95 5.252 -4.011 0.834 718 HG12 VAL 95 2HG1 VAL 95 5.666 -3.692 2.522 719 HG13 VAL 95 3HG1 VAL 95 6.925 -4.156 1.378 720 HG21 VAL 95 3HG2 VAL 95 4.563 -1.314 2.278 721 HG22 VAL 95 1HG2 VAL 95 4.183 -1.723 0.603 722 HG23 VAL 95 2HG2 VAL 95 5.112 -0.268 0.969 723 H GLU 96 H GLU 96 9.290 -1.354 0.393 724 HA GLU 96 HA GLU 96 10.490 -3.904 0.804 725 HB2 GLU 96 1HB GLU 96 10.486 -2.383 -1.317 726 HB3 GLU 96 2HB GLU 96 11.839 -1.547 -0.582 727 HG2 GLU 96 1HG GLU 96 11.818 -4.507 -1.266 728 HG3 GLU 96 2HG GLU 96 12.442 -3.245 -2.327 729 H LYS 97 H LYS 97 11.542 -0.595 1.623 730 HA LYS 97 HA LYS 97 14.023 -1.328 2.786 731 HB2 LYS 97 1HB LYS 97 13.469 0.921 1.823 732 HB3 LYS 97 2HB LYS 97 12.428 1.234 3.205 733 HG2 LYS 97 1HG LYS 97 14.392 1.110 4.712 734 HG3 LYS 97 2HG LYS 97 15.439 0.801 3.324 735 HD2 LYS 97 1HD LYS 97 13.808 3.326 3.811 736 HD3 LYS 97 2HD LYS 97 15.551 3.167 4.009 737 HE2 LYS 97 1HE LYS 97 15.765 2.698 1.579 738 HE3 LYS 97 2HE LYS 97 14.025 2.926 1.391 739 HZ1 LYS 97 3HZ LYS 97 15.953 4.975 2.333 740 HZ2 LYS 97 1HZ LYS 97 14.287 5.201 2.167 741 HZ3 LYS 97 2HZ LYS 97 15.243 4.914 0.802 742 H HIS 98 H HIS 98 10.798 -0.821 4.157 743 HA HIS 98 HA HIS 98 11.736 -1.008 6.916 744 HB2 HIS 98 1HB HIS 98 8.959 -0.601 5.736 745 HB3 HIS 98 2HB HIS 98 9.240 -0.809 7.466 746 HD1 HIS 98 HD1 HIS 98 9.642 1.308 8.722 747 HD2 HIS 98 HD2 HIS 98 10.564 1.733 4.702 748 HE1 HIS 98 HE1 HIS 98 10.228 3.723 8.421 749 HE2 HIS 98 HE2 HIS 98 11.004 3.887 6.033 750 H ARG 99 H ARG 99 10.417 -3.206 4.532 751 HA ARG 99 HA ARG 99 9.756 -5.317 6.397 752 HB2 ARG 99 1HB ARG 99 8.859 -5.120 4.011 753 HB3 ARG 99 2HB ARG 99 10.441 -5.625 3.432 754 HG2 ARG 99 1HG ARG 99 10.163 -7.801 4.591 755 HG3 ARG 99 2HG ARG 99 8.591 -7.275 5.199 756 HD2 ARG 99 1HD ARG 99 7.796 -7.055 2.841 757 HD3 ARG 99 2HD ARG 99 9.347 -7.692 2.285 758 HE ARG 99 HE ARG 99 7.688 -9.295 4.115 759 HH11 ARG 99 1HH1 ARG 99 9.186 -8.969 0.969 760 HH12 ARG 99 2HH1 ARG 99 8.696 -10.542 0.435 761 HH21 ARG 99 1HH2 ARG 99 7.087 -11.384 3.388 762 HH22 ARG 99 2HH2 ARG 99 7.527 -11.895 1.793 763 H ALA 100 H ALA 100 12.551 -4.402 4.425 764 HA ALA 100 HA ALA 100 14.353 -6.438 5.204 765 HB1 ALA 100 3HB ALA 100 14.742 -4.995 3.252 766 HB2 ALA 100 1HB ALA 100 16.115 -4.912 4.359 767 HB3 ALA 100 2HB ALA 100 14.942 -3.591 4.296 768 H ALA 101 H ALA 101 13.870 -3.131 6.355 769 HA ALA 101 HA ALA 101 14.204 -1.968 8.221 770 HB1 ALA 101 3HB ALA 101 14.487 -4.635 9.643 771 HB2 ALA 101 1HB ALA 101 12.977 -3.760 9.383 772 HB3 ALA 101 2HB ALA 101 14.228 -3.073 10.421 773 H GLY 102 H GLY 102 16.500 -4.704 8.661 774 HA2 GLY 102 1HA GLY 102 18.831 -4.699 8.674 775 HA3 GLY 102 2HA GLY 102 18.830 -2.949 8.491 776 H SER 103 H SER 103 16.734 -4.181 10.884 777 HA SER 103 HA SER 103 18.559 -3.372 13.075 778 HB2 SER 103 1HB SER 103 16.731 -1.715 12.593 779 HB3 SER 103 2HB SER 103 15.526 -2.968 12.877 780 HG SER 103 HG SER 103 15.932 -2.897 14.987 Start of MODEL 14 1 H1 MET 1 1H MET 1 18.789 -8.689 42.738 2 H2 MET 1 2H MET 1 19.018 -7.472 43.876 3 H3 MET 1 3H MET 1 20.351 -8.134 43.071 4 HA MET 1 HA MET 1 18.166 -6.553 41.859 5 HB2 MET 1 1HB MET 1 21.116 -5.868 42.281 6 HB3 MET 1 2HB MET 1 19.957 -4.852 41.433 7 HG2 MET 1 1HG MET 1 18.688 -4.518 43.494 8 HG3 MET 1 2HG MET 1 19.766 -5.608 44.367 9 HE1 MET 1 3HE MET 1 23.118 -3.547 44.399 10 HE2 MET 1 1HE MET 1 22.647 -4.785 43.233 11 HE3 MET 1 2HE MET 1 22.317 -5.016 44.951 12 H GLY 2 H GLY 2 17.939 -6.808 39.686 13 HA2 GLY 2 1HA GLY 2 20.045 -7.716 37.939 14 HA3 GLY 2 2HA GLY 2 18.838 -8.956 38.263 15 H SER 3 H SER 3 19.565 -7.419 35.803 16 HA SER 3 HA SER 3 16.906 -7.178 34.747 17 HB2 SER 3 1HB SER 3 17.255 -4.791 33.912 18 HB3 SER 3 2HB SER 3 17.036 -4.921 35.653 19 HG SER 3 HG SER 3 19.642 -4.982 34.635 20 H SER 4 H SER 4 17.266 -8.496 33.053 21 HA SER 4 HA SER 4 19.631 -8.121 31.294 22 HB2 SER 4 1HB SER 4 18.163 -10.711 31.977 23 HB3 SER 4 2HB SER 4 19.537 -10.570 30.877 24 HG SER 4 HG SER 4 19.752 -9.651 33.533 25 H HIS 5 H HIS 5 16.898 -6.919 31.164 26 HA HIS 5 HA HIS 5 15.449 -8.131 29.002 27 HB2 HIS 5 1HB HIS 5 15.286 -5.278 30.081 28 HB3 HIS 5 2HB HIS 5 14.151 -6.002 28.947 29 HD1 HIS 5 HD1 HIS 5 12.377 -7.579 29.893 30 HD2 HIS 5 HD2 HIS 5 15.039 -6.188 32.761 31 HE1 HIS 5 HE1 HIS 5 11.350 -8.173 32.103 32 HE2 HIS 5 HE2 HIS 5 12.876 -7.131 33.812 33 H ASP 6 H ASP 6 16.508 -8.366 27.159 34 HA ASP 6 HA ASP 6 17.549 -6.128 25.626 35 HB2 ASP 6 1HB ASP 6 19.551 -6.606 26.911 36 HB3 ASP 6 2HB ASP 6 19.347 -8.343 26.719 37 H HIS 7 H HIS 7 17.896 -6.695 23.404 38 HA HIS 7 HA HIS 7 16.675 -9.253 22.501 39 HB2 HIS 7 1HB HIS 7 16.199 -6.507 21.244 40 HB3 HIS 7 2HB HIS 7 15.543 -8.037 20.668 41 HD1 HIS 7 HD1 HIS 7 14.259 -5.239 22.078 42 HD2 HIS 7 HD2 HIS 7 14.140 -9.198 23.327 43 HE1 HIS 7 HE1 HIS 7 12.251 -5.413 23.554 44 HE2 HIS 7 HE2 HIS 7 12.084 -7.859 24.128 45 H HIS 8 H HIS 8 17.485 -10.114 20.610 46 HA HIS 8 HA HIS 8 20.132 -9.387 19.747 47 HB2 HIS 8 1HB HIS 8 18.167 -11.427 18.605 48 HB3 HIS 8 2HB HIS 8 19.844 -11.252 18.090 49 HD1 HIS 8 HD1 HIS 8 17.973 -13.451 20.032 50 HD2 HIS 8 HD2 HIS 8 21.531 -11.424 20.731 51 HE1 HIS 8 HE1 HIS 8 19.152 -14.759 21.814 52 HE2 HIS 8 HE2 HIS 8 21.219 -13.425 22.333 53 H HIS 9 H HIS 9 20.720 -8.317 17.918 54 HA HIS 9 HA HIS 9 18.661 -6.809 16.451 55 HB2 HIS 9 1HB HIS 9 21.704 -6.514 16.515 56 HB3 HIS 9 2HB HIS 9 20.610 -5.475 15.602 57 HD1 HIS 9 HD1 HIS 9 20.229 -3.321 16.788 58 HD2 HIS 9 HD2 HIS 9 20.776 -6.450 19.460 59 HE1 HIS 9 HE1 HIS 9 20.035 -2.307 19.069 60 HE2 HIS 9 HE2 HIS 9 20.606 -4.174 20.653 61 H HIS 10 H HIS 10 18.217 -7.162 14.348 62 HA HIS 10 HA HIS 10 18.923 -9.668 13.186 63 HB2 HIS 10 1HB HIS 10 16.676 -8.718 12.880 64 HB3 HIS 10 2HB HIS 10 17.347 -7.334 12.016 65 HD1 HIS 10 HD1 HIS 10 17.972 -7.673 9.562 66 HD2 HIS 10 HD2 HIS 10 16.652 -11.149 11.388 67 HE1 HIS 10 HE1 HIS 10 17.653 -9.314 7.703 68 HE2 HIS 10 HE2 HIS 10 16.688 -11.352 8.826 69 H SER 11 H SER 11 20.827 -10.013 12.296 70 HA SER 11 HA SER 11 22.461 -7.997 11.014 71 HB2 SER 11 1HB SER 11 22.862 -11.020 11.191 72 HB3 SER 11 2HB SER 11 24.088 -9.825 10.757 73 HG SER 11 HG SER 11 23.120 -9.011 13.030 74 H SER 12 H SER 12 22.876 -7.817 8.791 75 HA SER 12 HA SER 12 21.718 -9.665 6.851 76 HB2 SER 12 1HB SER 12 20.538 -7.800 5.619 77 HB3 SER 12 2HB SER 12 19.840 -8.118 7.205 78 HG SER 12 HG SER 12 21.648 -6.026 6.539 79 H GLY 13 H GLY 13 23.030 -9.867 5.146 80 HA2 GLY 13 1HA GLY 13 25.181 -7.876 4.604 81 HA3 GLY 13 2HA GLY 13 25.337 -9.617 4.364 82 H ARG 14 H ARG 14 23.415 -6.821 3.370 83 HA ARG 14 HA ARG 14 22.395 -8.062 0.952 84 HB2 ARG 14 1HB ARG 14 21.084 -6.401 2.320 85 HB3 ARG 14 2HB ARG 14 22.248 -5.157 1.888 86 HG2 ARG 14 1HG ARG 14 21.601 -5.434 -0.516 87 HG3 ARG 14 2HG ARG 14 20.365 -6.600 -0.021 88 HD2 ARG 14 1HD ARG 14 19.328 -4.818 1.400 89 HD3 ARG 14 2HD ARG 14 20.526 -3.677 0.785 90 HE ARG 14 HE ARG 14 19.577 -4.093 -1.473 91 HH11 ARG 14 1HH1 ARG 14 17.581 -4.735 1.334 92 HH12 ARG 14 2HH1 ARG 14 16.094 -4.428 0.498 93 HH21 ARG 14 1HH2 ARG 14 17.608 -3.678 -2.547 94 HH22 ARG 14 2HH2 ARG 14 16.113 -3.825 -1.681 95 H GLU 15 H GLU 15 24.529 -8.596 0.125 96 HA GLU 15 HA GLU 15 26.362 -6.468 -0.687 97 HB2 GLU 15 1HB GLU 15 26.586 -9.490 -1.044 98 HB3 GLU 15 2HB GLU 15 27.882 -8.319 -1.276 99 HG2 GLU 15 1HG GLU 15 26.525 -9.010 1.351 100 HG3 GLU 15 2HG GLU 15 28.137 -9.509 0.847 101 H ASN 16 H ASN 16 23.910 -8.447 -2.034 102 HA ASN 16 HA ASN 16 24.600 -7.726 -4.826 103 HB2 ASN 16 1HB ASN 16 23.749 -9.948 -5.520 104 HB3 ASN 16 2HB ASN 16 25.101 -10.121 -4.409 105 HD21 ASN 16 2HD2 ASN 16 22.700 -11.843 -5.120 106 HD22 ASN 16 1HD2 ASN 16 22.053 -12.316 -3.591 107 H LEU 17 H LEU 17 22.716 -7.871 -6.281 108 HA LEU 17 HA LEU 17 20.272 -6.775 -5.180 109 HB2 LEU 17 1HB LEU 17 21.024 -7.551 -8.042 110 HB3 LEU 17 2HB LEU 17 19.493 -6.828 -7.591 111 HG LEU 17 HG LEU 17 20.820 -5.078 -8.543 112 HD11 LEU 17 1HD1 LEU 17 19.532 -4.391 -6.589 113 HD12 LEU 17 2HD1 LEU 17 21.005 -3.436 -6.742 114 HD13 LEU 17 3HD1 LEU 17 20.910 -4.721 -5.536 115 HD21 LEU 17 3HD2 LEU 17 23.087 -5.790 -6.649 116 HD22 LEU 17 1HD2 LEU 17 23.076 -4.441 -7.793 117 HD23 LEU 17 2HD2 LEU 17 23.047 -6.100 -8.385 118 H TYR 18 H TYR 18 19.510 -8.402 -3.874 119 HA TYR 18 HA TYR 18 19.262 -11.150 -4.524 120 HB2 TYR 18 1HB TYR 18 19.300 -10.141 -2.179 121 HB3 TYR 18 2HB TYR 18 17.657 -9.580 -2.442 122 HD1 TYR 18 HD2 TYR 18 15.774 -11.286 -2.649 123 HD2 TYR 18 HD1 TYR 18 19.755 -12.456 -1.610 124 HE1 TYR 18 HE2 TYR 18 14.934 -13.447 -1.844 125 HE2 TYR 18 HE1 TYR 18 18.910 -14.617 -0.810 126 HH TYR 18 HH TYR 18 16.759 -15.555 0.049 127 H PHE 19 H PHE 19 18.036 -11.798 -6.215 128 HA PHE 19 HA PHE 19 15.215 -11.133 -6.413 129 HB2 PHE 19 1HB PHE 19 16.259 -9.207 -7.594 130 HB3 PHE 19 2HB PHE 19 17.162 -10.305 -8.628 131 HD1 PHE 19 HD1 PHE 19 13.597 -9.545 -7.655 132 HD2 PHE 19 HD2 PHE 19 16.270 -10.748 -10.777 133 HE1 PHE 19 HE1 PHE 19 11.743 -9.507 -9.271 134 HE2 PHE 19 HE2 PHE 19 14.408 -10.704 -12.382 135 HZ PHE 19 HZ PHE 19 12.141 -10.084 -11.632 136 H GLN 20 H GLN 20 14.083 -12.706 -7.395 137 HA GLN 20 HA GLN 20 15.217 -14.526 -9.362 138 HB2 GLN 20 1HB GLN 20 14.591 -16.581 -8.225 139 HB3 GLN 20 2HB GLN 20 15.652 -15.678 -7.158 140 HG2 GLN 20 1HG GLN 20 12.625 -15.779 -6.878 141 HG3 GLN 20 2HG GLN 20 13.743 -16.819 -6.003 142 HE21 GLN 20 2HE2 GLN 20 15.049 -15.897 -4.357 143 HE22 GLN 20 1HE2 GLN 20 14.644 -14.383 -3.629 144 H GLY 21 H GLY 21 13.386 -15.974 -10.205 145 HA2 GLY 21 1HA GLY 21 11.056 -14.351 -10.806 146 HA3 GLY 21 2HA GLY 21 11.421 -15.952 -11.436 147 H HIS 22 H HIS 22 11.497 -17.634 -9.509 148 HA HIS 22 HA HIS 22 10.267 -19.058 -8.298 149 HB2 HIS 22 1HB HIS 22 10.874 -17.536 -6.454 150 HB3 HIS 22 2HB HIS 22 9.509 -16.491 -6.820 151 HD1 HIS 22 HD1 HIS 22 7.712 -16.782 -5.119 152 HD2 HIS 22 HD2 HIS 22 9.719 -20.341 -5.842 153 HE1 HIS 22 HE1 HIS 22 6.624 -18.481 -3.633 154 HE2 HIS 22 HE2 HIS 22 7.900 -20.615 -4.043 155 H MET 23 H MET 23 7.678 -16.811 -7.646 156 HA MET 23 HA MET 23 6.009 -17.566 -9.907 157 HB2 MET 23 1HB MET 23 5.210 -18.192 -7.010 158 HB3 MET 23 2HB MET 23 4.049 -18.096 -8.325 159 HG2 MET 23 1HG MET 23 4.407 -20.391 -8.037 160 HG3 MET 23 2HG MET 23 5.415 -19.981 -9.426 161 HE1 MET 23 3HE MET 23 7.549 -22.761 -7.639 162 HE2 MET 23 1HE MET 23 6.804 -22.256 -9.157 163 HE3 MET 23 2HE MET 23 5.793 -22.712 -7.785 164 HA PRO 24 HA PRO 24 4.460 -13.311 -9.087 165 HB2 PRO 24 1HB PRO 24 1.682 -14.456 -9.353 166 HB3 PRO 24 2HB PRO 24 2.387 -13.034 -10.139 167 HG2 PRO 24 1HG PRO 24 2.083 -15.286 -11.534 168 HG3 PRO 24 2HG PRO 24 3.576 -14.335 -11.712 169 HD2 PRO 24 1HD PRO 24 3.118 -16.864 -10.129 170 HD3 PRO 24 2HD PRO 24 4.500 -16.411 -11.158 171 H ASN 25 H ASN 25 2.923 -12.172 -7.649 172 HA ASN 25 HA ASN 25 2.026 -11.571 -5.713 173 HB2 ASN 25 1HB ASN 25 1.882 -14.538 -5.026 174 HB3 ASN 25 2HB ASN 25 1.317 -13.268 -3.946 175 HD21 ASN 25 2HD2 ASN 25 0.890 -13.132 -7.483 176 HD22 ASN 25 1HD2 ASN 25 -0.820 -13.347 -7.447 177 H ASP 26 H ASP 26 3.723 -14.191 -4.017 178 HA ASP 26 HA ASP 26 5.112 -14.111 -2.254 179 HB2 ASP 26 1HB ASP 26 6.650 -12.419 -4.254 180 HB3 ASP 26 2HB ASP 26 7.342 -12.814 -2.686 181 H MET 27 H MET 27 5.782 -10.738 -3.165 182 HA MET 27 HA MET 27 4.330 -9.686 -0.846 183 HB2 MET 27 1HB MET 27 6.742 -10.153 -0.148 184 HB3 MET 27 2HB MET 27 7.264 -8.974 -1.346 185 HG2 MET 27 1HG MET 27 5.452 -8.363 1.015 186 HG3 MET 27 2HG MET 27 7.188 -8.090 0.995 187 HE1 MET 27 3HE MET 27 7.742 -6.845 -1.907 188 HE2 MET 27 1HE MET 27 8.383 -6.175 -0.404 189 HE3 MET 27 2HE MET 27 7.545 -5.128 -1.548 190 H GLU 28 H GLU 28 6.436 -8.918 -3.626 191 HA GLU 28 HA GLU 28 5.658 -6.235 -3.937 192 HB2 GLU 28 1HB GLU 28 7.758 -7.109 -4.873 193 HB3 GLU 28 2HB GLU 28 6.861 -8.151 -5.970 194 HG2 GLU 28 1HG GLU 28 5.939 -6.183 -7.127 195 HG3 GLU 28 2HG GLU 28 6.789 -5.110 -6.021 196 H ASP 29 H ASP 29 4.793 -9.021 -6.028 197 HA ASP 29 HA ASP 29 2.775 -7.578 -7.447 198 HB2 ASP 29 1HB ASP 29 3.980 -9.372 -8.548 199 HB3 ASP 29 2HB ASP 29 3.446 -10.539 -7.341 200 H HIS 30 H HIS 30 2.779 -9.530 -4.554 201 HA HIS 30 HA HIS 30 -0.024 -9.836 -4.175 202 HB2 HIS 30 1HB HIS 30 1.463 -11.162 -2.806 203 HB3 HIS 30 2HB HIS 30 2.304 -9.736 -2.213 204 HD1 HIS 30 HD1 HIS 30 1.734 -9.352 0.161 205 HD2 HIS 30 HD2 HIS 30 -1.534 -10.804 -1.953 206 HE1 HIS 30 HE1 HIS 30 -0.157 -9.421 1.802 207 HE2 HIS 30 HE2 HIS 30 -2.165 -10.042 0.424 208 H LEU 31 H LEU 31 2.212 -7.168 -3.554 209 HA LEU 31 HA LEU 31 0.428 -5.538 -2.043 210 HB2 LEU 31 1HB LEU 31 2.899 -5.343 -1.997 211 HB3 LEU 31 2HB LEU 31 2.895 -4.745 -3.639 212 HG LEU 31 HG LEU 31 1.371 -3.207 -1.512 213 HD11 LEU 31 1HD1 LEU 31 3.372 -1.898 -0.943 214 HD12 LEU 31 2HD1 LEU 31 4.368 -2.958 -1.945 215 HD13 LEU 31 3HD1 LEU 31 3.579 -3.591 -0.500 216 HD21 LEU 31 3HD2 LEU 31 1.954 -1.262 -2.900 217 HD22 LEU 31 1HD2 LEU 31 1.143 -2.493 -3.861 218 HD23 LEU 31 2HD2 LEU 31 2.890 -2.293 -3.983 219 H LEU 32 H LEU 32 1.143 -5.800 -5.549 220 HA LEU 32 HA LEU 32 -0.635 -3.755 -6.408 221 HB2 LEU 32 1HB LEU 32 0.265 -6.278 -7.850 222 HB3 LEU 32 2HB LEU 32 -0.816 -5.121 -8.592 223 HG LEU 32 HG LEU 32 1.241 -4.544 -9.517 224 HD11 LEU 32 1HD1 LEU 32 0.169 -2.548 -8.607 225 HD12 LEU 32 2HD1 LEU 32 1.920 -2.381 -8.637 226 HD13 LEU 32 3HD1 LEU 32 1.095 -2.712 -7.111 227 HD21 LEU 32 3HD2 LEU 32 2.680 -5.993 -8.229 228 HD22 LEU 32 1HD2 LEU 32 2.591 -4.911 -6.839 229 HD23 LEU 32 2HD2 LEU 32 3.386 -4.385 -8.327 230 H THR 33 H THR 33 -1.209 -7.148 -5.531 231 HA THR 33 HA THR 33 -3.914 -7.404 -6.319 232 HB THR 33 HB THR 33 -2.630 -8.770 -3.906 233 HG1 THR 33 HG1 THR 33 -2.100 -10.417 -5.512 234 HG21 THR 33 3HG2 THR 33 -4.156 -10.629 -4.432 235 HG22 THR 33 1HG2 THR 33 -4.825 -9.716 -5.792 236 HG23 THR 33 2HG2 THR 33 -5.073 -9.153 -4.140 237 H VAL 34 H VAL 34 -2.414 -6.298 -3.337 238 HA VAL 34 HA VAL 34 -4.721 -5.841 -1.778 239 HB VAL 34 HB VAL 34 -1.886 -4.739 -1.673 240 HG11 VAL 34 1HG1 VAL 34 -2.351 -3.878 0.613 241 HG12 VAL 34 2HG1 VAL 34 -4.068 -4.223 0.382 242 HG13 VAL 34 3HG1 VAL 34 -3.268 -3.019 -0.624 243 HG21 VAL 34 3HG2 VAL 34 -2.160 -7.142 -1.214 244 HG22 VAL 34 1HG2 VAL 34 -3.344 -6.788 0.050 245 HG23 VAL 34 2HG2 VAL 34 -1.666 -6.288 0.241 246 H LEU 35 H LEU 35 -2.873 -3.717 -3.941 247 HA LEU 35 HA LEU 35 -4.293 -1.322 -3.431 248 HB2 LEU 35 1HB LEU 35 -2.677 -2.206 -5.837 249 HB3 LEU 35 2HB LEU 35 -3.316 -0.577 -5.643 250 HG LEU 35 HG LEU 35 -1.306 -1.895 -3.768 251 HD11 LEU 35 1HD1 LEU 35 -0.314 -1.435 -5.945 252 HD12 LEU 35 2HD1 LEU 35 0.337 -0.352 -4.720 253 HD13 LEU 35 3HD1 LEU 35 -0.867 0.240 -5.868 254 HD21 LEU 35 3HD2 LEU 35 -2.707 -0.263 -2.570 255 HD22 LEU 35 1HD2 LEU 35 -2.347 0.968 -3.783 256 HD23 LEU 35 2HD2 LEU 35 -1.063 0.340 -2.748 257 H SER 36 H SER 36 -4.777 -3.927 -5.812 258 HA SER 36 HA SER 36 -6.787 -2.617 -7.320 259 HB2 SER 36 1HB SER 36 -7.208 -4.898 -8.280 260 HB3 SER 36 2HB SER 36 -5.515 -4.417 -8.325 261 HG SER 36 HG SER 36 -6.634 -6.021 -6.280 262 H VAL 37 H VAL 37 -6.890 -4.653 -4.453 263 HA VAL 37 HA VAL 37 -9.765 -4.855 -4.332 264 HB VAL 37 HB VAL 37 -7.669 -5.295 -2.140 265 HG11 VAL 37 1HG1 VAL 37 -9.451 -6.552 -0.923 266 HG12 VAL 37 2HG1 VAL 37 -10.627 -6.059 -2.144 267 HG13 VAL 37 3HG1 VAL 37 -9.864 -4.848 -1.114 268 HG21 VAL 37 3HG2 VAL 37 -7.990 -7.713 -2.611 269 HG22 VAL 37 1HG2 VAL 37 -7.412 -6.853 -4.037 270 HG23 VAL 37 2HG2 VAL 37 -9.108 -7.316 -3.920 271 H ALA 38 H ALA 38 -7.318 -2.655 -3.000 272 HA ALA 38 HA ALA 38 -9.058 -1.252 -1.189 273 HB1 ALA 38 3HB ALA 38 -7.134 0.243 -0.833 274 HB2 ALA 38 1HB ALA 38 -6.304 -0.480 -2.215 275 HB3 ALA 38 2HB ALA 38 -6.632 -1.448 -0.779 276 H SER 39 H SER 39 -8.126 -0.793 -4.549 277 HA SER 39 HA SER 39 -9.284 1.898 -4.685 278 HB2 SER 39 1HB SER 39 -8.344 1.963 -6.979 279 HB3 SER 39 2HB SER 39 -7.104 1.531 -5.801 280 HG SER 39 HG SER 39 -6.838 -0.280 -6.817 281 H GLY 40 H GLY 40 -9.584 -1.252 -6.354 282 HA2 GLY 40 1HA GLY 40 -11.857 -2.188 -6.612 283 HA3 GLY 40 2HA GLY 40 -12.391 -0.590 -7.109 284 H VAL 41 H VAL 41 -9.573 -0.531 -8.575 285 HA VAL 41 HA VAL 41 -10.555 -1.664 -11.092 286 HB VAL 41 HB VAL 41 -8.665 -0.438 -12.148 287 HG11 VAL 41 1HG1 VAL 41 -10.843 0.683 -11.926 288 HG12 VAL 41 2HG1 VAL 41 -9.515 1.837 -11.855 289 HG13 VAL 41 3HG1 VAL 41 -10.346 1.359 -10.371 290 HG21 VAL 41 3HG2 VAL 41 -7.301 1.175 -10.853 291 HG22 VAL 41 1HG2 VAL 41 -7.022 -0.485 -10.325 292 HG23 VAL 41 2HG2 VAL 41 -8.034 0.590 -9.357 293 HA PRO 42 HA PRO 42 -7.992 -5.393 -11.067 294 HB2 PRO 42 1HB PRO 42 -7.441 -4.574 -13.934 295 HB3 PRO 42 2HB PRO 42 -7.889 -6.165 -13.286 296 HG2 PRO 42 1HG PRO 42 -9.742 -4.670 -14.466 297 HG3 PRO 42 2HG PRO 42 -10.137 -5.545 -12.968 298 HD2 PRO 42 1HD PRO 42 -9.563 -2.615 -13.357 299 HD3 PRO 42 2HD PRO 42 -10.739 -3.404 -12.283 300 H LYS 43 H LYS 43 -5.860 -6.138 -11.219 301 HA LYS 43 HA LYS 43 -3.788 -4.396 -10.420 302 HB2 LYS 43 1HB LYS 43 -3.604 -7.238 -11.500 303 HB3 LYS 43 2HB LYS 43 -2.320 -6.398 -10.633 304 HG2 LYS 43 1HG LYS 43 -3.696 -6.350 -8.593 305 HG3 LYS 43 2HG LYS 43 -5.033 -7.114 -9.456 306 HD2 LYS 43 1HD LYS 43 -3.786 -8.738 -8.062 307 HD3 LYS 43 2HD LYS 43 -3.715 -9.155 -9.776 308 HE2 LYS 43 1HE LYS 43 -1.447 -8.229 -9.927 309 HE3 LYS 43 2HE LYS 43 -1.524 -7.719 -8.238 310 HZ1 LYS 43 3HZ LYS 43 -1.637 -10.509 -9.212 311 HZ2 LYS 43 1HZ LYS 43 -1.714 -10.022 -7.597 312 HZ3 LYS 43 2HZ LYS 43 -0.309 -9.757 -8.495 313 H GLU 44 H GLU 44 -4.833 -5.402 -13.584 314 HA GLU 44 HA GLU 44 -2.425 -4.964 -15.039 315 HB2 GLU 44 1HB GLU 44 -5.306 -4.792 -15.994 316 HB3 GLU 44 2HB GLU 44 -3.890 -4.936 -17.039 317 HG2 GLU 44 1HG GLU 44 -3.408 -7.166 -16.086 318 HG3 GLU 44 2HG GLU 44 -4.794 -7.012 -15.009 319 H GLU 45 H GLU 45 -4.963 -2.847 -13.895 320 HA GLU 45 HA GLU 45 -4.011 -0.509 -15.368 321 HB2 GLU 45 1HB GLU 45 -6.238 -0.734 -13.284 322 HB3 GLU 45 2HB GLU 45 -5.905 0.678 -14.292 323 HG2 GLU 45 1HG GLU 45 -6.362 -0.808 -16.318 324 HG3 GLU 45 2HG GLU 45 -6.934 -2.034 -15.191 325 H ILE 46 H ILE 46 -2.868 -2.107 -12.722 326 HA ILE 46 HA ILE 46 -1.836 0.346 -11.407 327 HB ILE 46 HB ILE 46 -2.524 -2.233 -9.916 328 HG12 ILE 46 1HG1 ILE 46 -4.129 0.376 -9.956 329 HG13 ILE 46 2HG1 ILE 46 -4.629 -1.132 -10.712 330 HG21 ILE 46 1HG2 ILE 46 -0.716 -0.895 -8.889 331 HG22 ILE 46 2HG2 ILE 46 -2.153 -0.874 -7.875 332 HG23 ILE 46 3HG2 ILE 46 -1.756 0.531 -8.867 333 HD11 ILE 46 3HD1 ILE 46 -5.793 -0.812 -8.652 334 HD12 ILE 46 1HD1 ILE 46 -4.281 -0.625 -7.764 335 HD13 ILE 46 2HD1 ILE 46 -4.698 -2.183 -8.485 336 H SER 47 H SER 47 0.234 0.308 -12.181 337 HA SER 47 HA SER 47 1.952 -2.031 -11.566 338 HB2 SER 47 1HB SER 47 1.981 -1.276 -13.961 339 HB3 SER 47 2HB SER 47 2.513 0.324 -13.444 340 HG SER 47 HG SER 47 4.017 -1.758 -13.989 341 H ARG 48 H ARG 48 4.340 -1.072 -11.092 342 HA ARG 48 HA ARG 48 4.268 0.449 -8.678 343 HB2 ARG 48 1HB ARG 48 6.652 0.246 -8.632 344 HB3 ARG 48 2HB ARG 48 6.068 -1.248 -9.354 345 HG2 ARG 48 1HG ARG 48 6.524 0.031 -11.635 346 HG3 ARG 48 2HG ARG 48 7.582 1.026 -10.638 347 HD2 ARG 48 1HD ARG 48 8.893 -0.730 -11.679 348 HD3 ARG 48 2HD ARG 48 8.792 -1.060 -9.948 349 HE ARG 48 HE ARG 48 7.647 -2.981 -10.393 350 HH11 ARG 48 1HH1 ARG 48 7.470 -1.016 -13.320 351 HH12 ARG 48 2HH1 ARG 48 6.732 -2.279 -14.249 352 HH21 ARG 48 1HH2 ARG 48 6.657 -4.591 -11.628 353 HH22 ARG 48 2HH2 ARG 48 6.262 -4.296 -13.288 354 H ASP 49 H ASP 49 4.722 1.208 -12.062 355 HA ASP 49 HA ASP 49 5.736 3.862 -11.819 356 HB2 ASP 49 1HB ASP 49 4.317 2.508 -14.163 357 HB3 ASP 49 2HB ASP 49 5.239 4.006 -14.264 358 H SER 50 H SER 50 2.568 2.510 -11.531 359 HA SER 50 HA SER 50 0.984 4.727 -12.301 360 HB2 SER 50 1HB SER 50 0.353 2.436 -10.395 361 HB3 SER 50 2HB SER 50 -0.836 3.574 -11.036 362 HG SER 50 HG SER 50 0.672 2.471 -13.001 363 H ARG 51 H ARG 51 -0.067 6.233 -11.079 364 HA ARG 51 HA ARG 51 1.336 7.298 -8.773 365 HB2 ARG 51 1HB ARG 51 -1.095 8.301 -10.319 366 HB3 ARG 51 2HB ARG 51 -0.216 9.217 -9.099 367 HG2 ARG 51 1HG ARG 51 0.934 8.278 -11.752 368 HG3 ARG 51 2HG ARG 51 0.367 9.913 -11.394 369 HD2 ARG 51 1HD ARG 51 2.101 10.140 -9.652 370 HD3 ARG 51 2HD ARG 51 2.665 8.503 -10.000 371 HE ARG 51 HE ARG 51 3.062 9.437 -12.357 372 HH11 ARG 51 1HH1 ARG 51 3.422 11.399 -9.473 373 HH12 ARG 51 2HH1 ARG 51 4.693 12.366 -10.146 374 HH21 ARG 51 1HH2 ARG 51 4.744 10.691 -13.216 375 HH22 ARG 51 2HH2 ARG 51 5.440 11.971 -12.266 376 H MET 52 H MET 52 -0.888 8.531 -7.401 377 HA MET 52 HA MET 52 -2.412 6.195 -6.368 378 HB2 MET 52 1HB MET 52 -0.851 8.215 -4.722 379 HB3 MET 52 2HB MET 52 -2.128 7.225 -4.023 380 HG2 MET 52 1HG MET 52 -0.867 5.193 -4.766 381 HG3 MET 52 2HG MET 52 0.459 6.255 -5.256 382 HE1 MET 52 3HE MET 52 0.424 3.768 -3.096 383 HE2 MET 52 1HE MET 52 1.555 4.405 -1.905 384 HE3 MET 52 2HE MET 52 1.900 4.577 -3.625 385 H GLU 53 H GLU 53 -2.788 9.173 -7.763 386 HA GLU 53 HA GLU 53 -4.599 10.496 -6.022 387 HB2 GLU 53 1HB GLU 53 -4.330 10.848 -9.029 388 HB3 GLU 53 2HB GLU 53 -5.211 11.929 -7.958 389 HG2 GLU 53 1HG GLU 53 -3.191 13.045 -8.295 390 HG3 GLU 53 2HG GLU 53 -2.965 12.276 -6.730 391 H ASP 54 H ASP 54 -5.112 7.736 -7.923 392 HA ASP 54 HA ASP 54 -7.980 7.771 -7.252 393 HB2 ASP 54 1HB ASP 54 -7.622 8.501 -9.674 394 HB3 ASP 54 2HB ASP 54 -6.911 6.923 -9.988 395 H LEU 55 H LEU 55 -5.561 6.465 -6.107 396 HA LEU 55 HA LEU 55 -6.317 3.624 -6.316 397 HB2 LEU 55 1HB LEU 55 -3.470 4.665 -6.567 398 HB3 LEU 55 2HB LEU 55 -3.858 2.977 -6.268 399 HG LEU 55 HG LEU 55 -4.540 4.562 -8.785 400 HD11 LEU 55 1HD1 LEU 55 -2.640 2.228 -8.384 401 HD12 LEU 55 2HD1 LEU 55 -2.180 3.907 -8.659 402 HD13 LEU 55 3HD1 LEU 55 -3.013 3.011 -9.923 403 HD21 LEU 55 3HD2 LEU 55 -6.370 2.997 -8.306 404 HD22 LEU 55 1HD2 LEU 55 -5.219 1.667 -8.130 405 HD23 LEU 55 2HD2 LEU 55 -5.439 2.449 -9.695 406 H ALA 56 H ALA 56 -4.899 6.212 -4.370 407 HA ALA 56 HA ALA 56 -5.286 4.725 -1.905 408 HB1 ALA 56 3HB ALA 56 -2.964 4.808 -1.131 409 HB2 ALA 56 1HB ALA 56 -2.456 5.538 -2.657 410 HB3 ALA 56 2HB ALA 56 -3.076 3.888 -2.631 411 H PHE 57 H PHE 57 -3.926 7.618 -3.408 412 HA PHE 57 HA PHE 57 -3.927 9.383 -1.231 413 HB2 PHE 57 1HB PHE 57 -2.672 9.852 -3.282 414 HB3 PHE 57 2HB PHE 57 -4.149 9.886 -4.230 415 HD1 PHE 57 HD2 PHE 57 -2.465 11.685 -1.397 416 HD2 PHE 57 HD1 PHE 57 -5.136 11.969 -4.727 417 HE1 PHE 57 HE2 PHE 57 -2.580 14.125 -1.117 418 HE2 PHE 57 HE1 PHE 57 -5.240 14.406 -4.436 419 HZ PHE 57 HZ PHE 57 -3.961 15.487 -2.629 420 H ASP 58 H ASP 58 -5.785 9.084 -0.102 421 HA ASP 58 HA ASP 58 -7.895 10.883 -0.297 422 HB2 ASP 58 1HB ASP 58 -8.792 9.488 -2.151 423 HB3 ASP 58 2HB ASP 58 -8.659 8.036 -1.169 424 H SER 59 H SER 59 -8.798 10.939 1.835 425 HA SER 59 HA SER 59 -7.323 9.783 3.888 426 HB2 SER 59 1HB SER 59 -10.186 10.800 4.075 427 HB3 SER 59 2HB SER 59 -9.065 10.624 5.426 428 HG SER 59 HG SER 59 -8.283 12.492 4.936 429 H LEU 60 H LEU 60 -10.344 8.585 2.469 430 HA LEU 60 HA LEU 60 -10.807 6.483 4.380 431 HB2 LEU 60 1HB LEU 60 -12.656 7.490 3.133 432 HB3 LEU 60 2HB LEU 60 -11.949 6.990 1.604 433 HG LEU 60 HG LEU 60 -12.371 4.605 2.178 434 HD11 LEU 60 1HD1 LEU 60 -13.765 3.996 4.124 435 HD12 LEU 60 2HD1 LEU 60 -13.685 5.661 4.706 436 HD13 LEU 60 3HD1 LEU 60 -12.218 4.684 4.611 437 HD21 LEU 60 3HD2 LEU 60 -14.850 6.350 2.404 438 HD22 LEU 60 1HD2 LEU 60 -14.815 4.647 1.937 439 HD23 LEU 60 2HD2 LEU 60 -14.059 5.857 0.903 440 H VAL 61 H VAL 61 -9.312 6.639 1.135 441 HA VAL 61 HA VAL 61 -8.922 3.769 0.977 442 HB VAL 61 HB VAL 61 -7.560 5.843 -0.817 443 HG11 VAL 61 1HG1 VAL 61 -7.541 3.979 -2.472 444 HG12 VAL 61 2HG1 VAL 61 -8.291 2.907 -1.285 445 HG13 VAL 61 3HG1 VAL 61 -6.670 3.543 -1.002 446 HG21 VAL 61 3HG2 VAL 61 -10.318 4.580 -1.204 447 HG22 VAL 61 1HG2 VAL 61 -9.473 5.590 -2.382 448 HG23 VAL 61 2HG2 VAL 61 -9.998 6.277 -0.843 449 H VAL 62 H VAL 62 -7.073 6.478 2.169 450 HA VAL 62 HA VAL 62 -4.533 5.192 2.491 451 HB VAL 62 HB VAL 62 -5.755 7.596 3.965 452 HG11 VAL 62 1HG1 VAL 62 -4.115 6.526 5.472 453 HG12 VAL 62 2HG1 VAL 62 -3.486 8.066 4.891 454 HG13 VAL 62 3HG1 VAL 62 -2.890 6.553 4.201 455 HG21 VAL 62 3HG2 VAL 62 -4.167 8.950 2.629 456 HG22 VAL 62 1HG2 VAL 62 -5.234 8.012 1.583 457 HG23 VAL 62 2HG2 VAL 62 -3.569 7.489 1.836 458 H SER 63 H SER 63 -7.464 5.571 4.458 459 HA SER 63 HA SER 63 -6.624 4.255 6.807 460 HB2 SER 63 1HB SER 63 -8.654 5.641 6.747 461 HB3 SER 63 2HB SER 63 -9.416 4.536 5.606 462 HG SER 63 HG SER 63 -9.951 3.273 7.200 463 H GLU 64 H GLU 64 -8.177 3.038 3.850 464 HA GLU 64 HA GLU 64 -8.526 0.341 4.744 465 HB2 GLU 64 1HB GLU 64 -9.902 1.514 2.946 466 HB3 GLU 64 2HB GLU 64 -8.525 1.351 1.865 467 HG2 GLU 64 1HG GLU 64 -10.167 -0.399 1.422 468 HG3 GLU 64 2HG GLU 64 -8.668 -1.109 2.025 469 H LEU 65 H LEU 65 -6.086 1.998 2.781 470 HA LEU 65 HA LEU 65 -4.515 -0.268 2.071 471 HB2 LEU 65 1HB LEU 65 -4.318 1.882 0.865 472 HB3 LEU 65 2HB LEU 65 -3.722 2.667 2.317 473 HG LEU 65 HG LEU 65 -1.675 1.208 2.234 474 HD11 LEU 65 1HD1 LEU 65 -1.143 -0.085 0.208 475 HD12 LEU 65 2HD1 LEU 65 -2.753 0.243 -0.436 476 HD13 LEU 65 3HD1 LEU 65 -2.567 -0.726 1.028 477 HD21 LEU 65 3HD2 LEU 65 -2.145 2.856 -0.279 478 HD22 LEU 65 1HD2 LEU 65 -0.570 2.370 0.359 479 HD23 LEU 65 2HD2 LEU 65 -1.590 3.472 1.280 480 H SER 66 H SER 66 -4.317 2.120 4.669 481 HA SER 66 HA SER 66 -2.030 1.171 6.009 482 HB2 SER 66 1HB SER 66 -2.930 3.437 6.405 483 HB3 SER 66 2HB SER 66 -4.388 2.746 7.120 484 HG SER 66 HG SER 66 -1.734 2.613 8.118 485 H LEU 67 H LEU 67 -5.434 0.278 6.200 486 HA LEU 67 HA LEU 67 -5.399 -1.336 8.519 487 HB2 LEU 67 1HB LEU 67 -7.405 -0.452 7.187 488 HB3 LEU 67 2HB LEU 67 -7.130 -1.738 6.034 489 HG LEU 67 HG LEU 67 -7.778 -2.255 8.970 490 HD11 LEU 67 1HD1 LEU 67 -10.109 -2.644 8.301 491 HD12 LEU 67 2HD1 LEU 67 -9.736 -2.138 6.650 492 HD13 LEU 67 3HD1 LEU 67 -9.620 -0.983 7.978 493 HD21 LEU 67 3HD2 LEU 67 -7.988 -4.102 6.562 494 HD22 LEU 67 1HD2 LEU 67 -8.460 -4.505 8.217 495 HD23 LEU 67 2HD2 LEU 67 -6.769 -4.191 7.833 496 H LYS 68 H LYS 68 -4.832 -2.038 5.084 497 HA LYS 68 HA LYS 68 -4.396 -4.846 5.425 498 HB2 LYS 68 1HB LYS 68 -4.843 -3.121 3.227 499 HB3 LYS 68 2HB LYS 68 -3.217 -3.718 2.952 500 HG2 LYS 68 1HG LYS 68 -4.820 -5.122 1.791 501 HG3 LYS 68 2HG LYS 68 -4.052 -6.050 3.081 502 HD2 LYS 68 1HD LYS 68 -6.471 -6.501 2.980 503 HD3 LYS 68 2HD LYS 68 -6.030 -5.747 4.512 504 HE2 LYS 68 1HE LYS 68 -6.834 -3.549 3.643 505 HE3 LYS 68 2HE LYS 68 -7.327 -4.340 2.140 506 HZ1 LYS 68 3HZ LYS 68 -8.876 -5.684 3.382 507 HZ2 LYS 68 1HZ LYS 68 -9.159 -4.048 3.709 508 HZ3 LYS 68 2HZ LYS 68 -8.362 -4.999 4.843 509 H LEU 69 H LEU 69 -2.246 -2.047 5.275 510 HA LEU 69 HA LEU 69 0.209 -3.490 5.184 511 HB2 LEU 69 1HB LEU 69 -0.393 -0.666 6.127 512 HB3 LEU 69 2HB LEU 69 1.229 -1.317 5.945 513 HG LEU 69 HG LEU 69 -0.773 -0.952 3.669 514 HD11 LEU 69 1HD1 LEU 69 0.674 0.860 2.885 515 HD12 LEU 69 2HD1 LEU 69 1.706 0.672 4.304 516 HD13 LEU 69 3HD1 LEU 69 0.035 1.206 4.493 517 HD21 LEU 69 3HD2 LEU 69 2.138 -1.826 3.544 518 HD22 LEU 69 1HD2 LEU 69 1.094 -1.500 2.158 519 HD23 LEU 69 2HD2 LEU 69 0.735 -2.845 3.234 520 H ARG 70 H ARG 70 -1.781 -2.178 7.782 521 HA ARG 70 HA ARG 70 -0.071 -2.669 9.978 522 HB2 ARG 70 1HB ARG 70 -2.060 -1.084 9.889 523 HB3 ARG 70 2HB ARG 70 -3.122 -2.474 9.994 524 HG2 ARG 70 1HG ARG 70 -1.091 -1.872 12.162 525 HG3 ARG 70 2HG ARG 70 -2.659 -1.072 12.135 526 HD2 ARG 70 1HD ARG 70 -3.785 -3.257 12.301 527 HD3 ARG 70 2HD ARG 70 -2.217 -4.071 12.283 528 HE ARG 70 HE ARG 70 -1.817 -2.557 14.366 529 HH11 ARG 70 1HH1 ARG 70 -4.786 -4.260 13.612 530 HH12 ARG 70 2HH1 ARG 70 -5.248 -4.418 15.273 531 HH21 ARG 70 1HH2 ARG 70 -2.418 -2.815 16.524 532 HH22 ARG 70 2HH2 ARG 70 -3.916 -3.604 16.914 533 H LYS 71 H LYS 71 -2.752 -4.497 8.585 534 HA LYS 71 HA LYS 71 -2.604 -6.652 10.505 535 HB2 LYS 71 1HB LYS 71 -4.784 -5.923 9.719 536 HB3 LYS 71 2HB LYS 71 -4.314 -6.140 8.039 537 HG2 LYS 71 1HG LYS 71 -4.238 -8.571 8.341 538 HG3 LYS 71 2HG LYS 71 -4.622 -8.389 10.055 539 HD2 LYS 71 1HD LYS 71 -6.834 -7.513 9.528 540 HD3 LYS 71 2HD LYS 71 -6.463 -7.473 7.802 541 HE2 LYS 71 1HE LYS 71 -7.898 -9.403 8.432 542 HE3 LYS 71 2HE LYS 71 -6.361 -9.905 7.728 543 HZ1 LYS 71 3HZ LYS 71 -5.530 -10.358 9.941 544 HZ2 LYS 71 1HZ LYS 71 -6.951 -11.226 9.654 545 HZ3 LYS 71 2HZ LYS 71 -6.988 -9.844 10.628 546 H GLU 72 H GLU 72 -2.391 -6.524 6.945 547 HA GLU 72 HA GLU 72 -1.745 -9.321 6.837 548 HB2 GLU 72 1HB GLU 72 -3.343 -8.137 5.312 549 HB3 GLU 72 2HB GLU 72 -1.981 -7.292 4.588 550 HG2 GLU 72 1HG GLU 72 -1.130 -9.288 3.598 551 HG3 GLU 72 2HG GLU 72 -2.179 -10.318 4.577 552 H PHE 73 H PHE 73 -0.043 -6.327 5.848 553 HA PHE 73 HA PHE 73 2.422 -7.716 5.192 554 HB2 PHE 73 1HB PHE 73 1.776 -4.739 5.411 555 HB3 PHE 73 2HB PHE 73 3.354 -5.366 4.926 556 HD1 PHE 73 HD2 PHE 73 -0.243 -5.216 3.943 557 HD2 PHE 73 HD1 PHE 73 3.742 -6.124 2.672 558 HE1 PHE 73 HE2 PHE 73 -1.005 -5.345 1.621 559 HE2 PHE 73 HE1 PHE 73 2.961 -6.266 0.343 560 HZ PHE 73 HZ PHE 73 0.586 -5.874 -0.185 561 H GLY 74 H GLY 74 1.032 -6.241 8.025 562 HA2 GLY 74 1HA GLY 74 1.720 -6.451 10.236 563 HA3 GLY 74 2HA GLY 74 3.272 -7.077 9.699 564 H VAL 75 H VAL 75 2.876 -4.398 7.897 565 HA VAL 75 HA VAL 75 4.664 -2.755 9.489 566 HB VAL 75 HB VAL 75 3.425 -2.176 6.745 567 HG11 VAL 75 1HG1 VAL 75 5.322 -0.620 6.440 568 HG12 VAL 75 2HG1 VAL 75 5.882 -0.975 8.077 569 HG13 VAL 75 3HG1 VAL 75 4.333 -0.175 7.829 570 HG21 VAL 75 3HG2 VAL 75 4.677 -4.290 6.641 571 HG22 VAL 75 1HG2 VAL 75 6.093 -3.520 7.361 572 HG23 VAL 75 2HG2 VAL 75 5.540 -3.033 5.758 573 H THR 76 H THR 76 3.435 -2.051 11.234 574 HA THR 76 HA THR 76 0.672 -1.403 11.063 575 HB THR 76 HB THR 76 0.929 -0.805 13.512 576 HG1 THR 76 HG1 THR 76 2.973 -1.210 14.448 577 HG21 THR 76 3HG2 THR 76 2.132 -3.493 12.708 578 HG22 THR 76 1HG2 THR 76 0.403 -3.138 12.811 579 HG23 THR 76 2HG2 THR 76 1.398 -3.107 14.266 580 H GLY 77 H GLY 77 -0.368 0.485 10.890 581 HA2 GLY 77 1HA GLY 77 -0.879 2.712 10.996 582 HA3 GLY 77 2HA GLY 77 0.656 3.003 11.795 583 H VAL 78 H VAL 78 2.144 4.080 10.686 584 HA VAL 78 HA VAL 78 3.397 5.074 9.113 585 HB VAL 78 HB VAL 78 2.142 3.281 6.972 586 HG11 VAL 78 1HG1 VAL 78 3.555 5.065 6.058 587 HG12 VAL 78 2HG1 VAL 78 4.308 3.493 5.800 588 HG13 VAL 78 3HG1 VAL 78 4.899 4.555 7.081 589 HG21 VAL 78 3HG2 VAL 78 3.922 1.621 7.388 590 HG22 VAL 78 1HG2 VAL 78 2.902 1.834 8.809 591 HG23 VAL 78 2HG2 VAL 78 4.504 2.574 8.756 592 H ASP 79 H ASP 79 0.407 5.686 9.631 593 HA ASP 79 HA ASP 79 -1.102 6.340 7.444 594 HB2 ASP 79 1HB ASP 79 -1.110 7.858 10.080 595 HB3 ASP 79 2HB ASP 79 -2.444 7.775 8.931 596 H ASP 80 H ASP 80 1.204 8.398 9.133 597 HA ASP 80 HA ASP 80 0.681 10.829 7.766 598 HB2 ASP 80 1HB ASP 80 1.778 10.724 9.986 599 HB3 ASP 80 2HB ASP 80 3.183 9.939 9.271 600 H GLU 81 H GLU 81 3.152 8.289 7.304 601 HA GLU 81 HA GLU 81 4.503 9.669 5.169 602 HB2 GLU 81 1HB GLU 81 5.639 8.108 6.732 603 HB3 GLU 81 2HB GLU 81 4.710 6.775 6.064 604 HG2 GLU 81 1HG GLU 81 5.829 6.979 3.921 605 HG3 GLU 81 2HG GLU 81 6.633 8.465 4.432 606 H LEU 82 H LEU 82 1.855 7.406 5.385 607 HA LEU 82 HA LEU 82 1.695 6.609 2.646 608 HB2 LEU 82 1HB LEU 82 -0.440 6.694 4.809 609 HB3 LEU 82 2HB LEU 82 -0.652 5.931 3.237 610 HG LEU 82 HG LEU 82 1.396 5.075 5.323 611 HD11 LEU 82 1HD1 LEU 82 0.022 3.115 5.731 612 HD12 LEU 82 2HD1 LEU 82 -1.190 3.687 4.577 613 HD13 LEU 82 3HD1 LEU 82 -0.896 4.584 6.066 614 HD21 LEU 82 3HD2 LEU 82 2.167 4.592 3.055 615 HD22 LEU 82 1HD2 LEU 82 0.654 3.756 2.694 616 HD23 LEU 82 2HD2 LEU 82 1.762 3.107 3.905 617 H ASP 83 H ASP 83 0.428 9.282 4.535 618 HA ASP 83 HA ASP 83 -1.116 10.548 2.498 619 HB2 ASP 83 1HB ASP 83 -1.424 11.122 4.858 620 HB3 ASP 83 2HB ASP 83 0.252 11.630 5.003 621 H LEU 84 H LEU 84 2.302 10.670 3.432 622 HA LEU 84 HA LEU 84 3.038 12.714 1.527 623 HB2 LEU 84 1HB LEU 84 4.558 11.036 3.515 624 HB3 LEU 84 2HB LEU 84 5.464 11.781 2.217 625 HG LEU 84 HG LEU 84 5.613 13.175 4.208 626 HD11 LEU 84 1HD1 LEU 84 5.595 14.334 2.047 627 HD12 LEU 84 2HD1 LEU 84 4.887 15.332 3.313 628 HD13 LEU 84 3HD1 LEU 84 3.841 14.522 2.143 629 HD21 LEU 84 3HD2 LEU 84 2.586 13.364 4.171 630 HD22 LEU 84 1HD2 LEU 84 3.668 14.269 5.238 631 HD23 LEU 84 2HD2 LEU 84 3.569 12.515 5.366 632 H LEU 85 H LEU 85 2.230 9.511 1.014 633 HA LEU 85 HA LEU 85 4.179 8.911 -1.049 634 HB2 LEU 85 1HB LEU 85 1.560 7.552 -0.348 635 HB3 LEU 85 2HB LEU 85 2.647 6.985 -1.606 636 HG LEU 85 HG LEU 85 3.197 7.054 1.381 637 HD11 LEU 85 1HD1 LEU 85 3.331 4.616 1.168 638 HD12 LEU 85 2HD1 LEU 85 2.925 4.735 -0.544 639 HD13 LEU 85 3HD1 LEU 85 1.752 5.226 0.680 640 HD21 LEU 85 3HD2 LEU 85 5.112 6.235 -0.837 641 HD22 LEU 85 1HD2 LEU 85 5.384 6.018 0.895 642 HD23 LEU 85 2HD2 LEU 85 5.281 7.641 0.219 643 H GLU 86 H GLU 86 3.764 8.687 -3.252 644 HA GLU 86 HA GLU 86 1.520 10.223 -4.420 645 HB2 GLU 86 1HB GLU 86 3.517 11.675 -4.367 646 HB3 GLU 86 2HB GLU 86 4.488 10.412 -5.113 647 HG2 GLU 86 1HG GLU 86 3.003 10.596 -7.158 648 HG3 GLU 86 2HG GLU 86 2.243 11.998 -6.404 649 H THR 87 H THR 87 4.197 7.896 -4.934 650 HA THR 87 HA THR 87 2.691 6.623 -7.164 651 HB THR 87 HB THR 87 4.867 5.885 -8.100 652 HG1 THR 87 HG1 THR 87 6.714 7.245 -6.978 653 HG21 THR 87 3HG2 THR 87 4.821 8.885 -7.577 654 HG22 THR 87 1HG2 THR 87 4.015 8.048 -8.905 655 HG23 THR 87 2HG2 THR 87 5.774 8.078 -8.823 656 H VAL 88 H VAL 88 2.844 4.360 -7.368 657 HA VAL 88 HA VAL 88 2.754 2.807 -4.978 658 HB VAL 88 HB VAL 88 2.967 1.928 -7.897 659 HG11 VAL 88 1HG1 VAL 88 2.028 -0.240 -7.155 660 HG12 VAL 88 2HG1 VAL 88 2.105 0.300 -5.475 661 HG13 VAL 88 3HG1 VAL 88 3.587 0.091 -6.404 662 HG21 VAL 88 3HG2 VAL 88 0.988 3.328 -7.508 663 HG22 VAL 88 1HG2 VAL 88 0.491 2.288 -6.170 664 HG23 VAL 88 2HG2 VAL 88 0.517 1.659 -7.820 665 H ASP 89 H ASP 89 5.209 3.450 -7.415 666 HA ASP 89 HA ASP 89 7.192 1.576 -6.762 667 HB2 ASP 89 1HB ASP 89 7.211 3.016 -8.786 668 HB3 ASP 89 2HB ASP 89 7.485 4.439 -7.788 669 H GLU 90 H GLU 90 6.439 4.749 -5.431 670 HA GLU 90 HA GLU 90 8.615 4.924 -3.587 671 HB2 GLU 90 1HB GLU 90 7.395 6.868 -4.513 672 HB3 GLU 90 2HB GLU 90 5.935 6.367 -3.670 673 HG2 GLU 90 1HG GLU 90 6.930 6.852 -1.523 674 HG3 GLU 90 2HG GLU 90 8.509 7.130 -2.261 675 H LEU 91 H LEU 91 5.298 3.664 -3.402 676 HA LEU 91 HA LEU 91 5.235 3.086 -0.608 677 HB2 LEU 91 1HB LEU 91 3.179 3.149 -1.897 678 HB3 LEU 91 2HB LEU 91 3.734 1.859 -2.947 679 HG LEU 91 HG LEU 91 3.551 0.230 -1.091 680 HD11 LEU 91 1HD1 LEU 91 2.495 2.508 0.621 681 HD12 LEU 91 2HD1 LEU 91 4.032 1.669 0.841 682 HD13 LEU 91 3HD1 LEU 91 2.517 0.798 1.065 683 HD21 LEU 91 3HD2 LEU 91 1.609 0.567 -2.551 684 HD22 LEU 91 1HD2 LEU 91 0.999 1.833 -1.479 685 HD23 LEU 91 2HD2 LEU 91 1.101 0.165 -0.914 686 H PHE 92 H PHE 92 6.461 1.290 -3.403 687 HA PHE 92 HA PHE 92 7.133 -1.120 -2.038 688 HB2 PHE 92 1HB PHE 92 8.082 0.108 -4.649 689 HB3 PHE 92 2HB PHE 92 8.782 -1.389 -4.046 690 HD1 PHE 92 HD2 PHE 92 6.803 -3.071 -3.128 691 HD2 PHE 92 HD1 PHE 92 6.421 -0.247 -6.323 692 HE1 PHE 92 HE2 PHE 92 5.007 -4.407 -4.109 693 HE2 PHE 92 HE1 PHE 92 4.637 -1.615 -7.298 694 HZ PHE 92 HZ PHE 92 3.922 -3.686 -6.186 695 H GLN 93 H GLN 93 8.909 1.880 -2.683 696 HA GLN 93 HA GLN 93 11.373 1.119 -1.453 697 HB2 GLN 93 1HB GLN 93 10.188 3.877 -1.991 698 HB3 GLN 93 2HB GLN 93 11.849 3.596 -1.458 699 HG2 GLN 93 1HG GLN 93 12.317 2.344 -3.525 700 HG3 GLN 93 2HG GLN 93 10.649 2.559 -4.052 701 HE21 GLN 93 2HE2 GLN 93 9.995 4.593 -4.817 702 HE22 GLN 93 1HE2 GLN 93 11.118 5.840 -5.223 703 H LEU 94 H LEU 94 8.366 2.449 -0.247 704 HA LEU 94 HA LEU 94 9.156 3.113 2.394 705 HB2 LEU 94 1HB LEU 94 7.056 3.871 1.310 706 HB3 LEU 94 2HB LEU 94 6.433 2.237 1.316 707 HG LEU 94 HG LEU 94 7.083 3.655 3.935 708 HD11 LEU 94 1HD1 LEU 94 4.445 3.862 2.443 709 HD12 LEU 94 2HD1 LEU 94 5.612 5.165 2.673 710 HD13 LEU 94 3HD1 LEU 94 4.782 4.478 4.062 711 HD21 LEU 94 3HD2 LEU 94 6.597 1.240 4.124 712 HD22 LEU 94 1HD2 LEU 94 5.057 1.465 3.289 713 HD23 LEU 94 2HD2 LEU 94 5.320 2.187 4.878 714 H VAL 95 H VAL 95 7.471 0.207 1.143 715 HA VAL 95 HA VAL 95 7.526 -1.329 3.486 716 HB VAL 95 HB VAL 95 7.336 -2.233 0.575 717 HG11 VAL 95 1HG1 VAL 95 6.721 -3.855 3.083 718 HG12 VAL 95 2HG1 VAL 95 8.034 -4.152 1.946 719 HG13 VAL 95 3HG1 VAL 95 6.364 -4.364 1.427 720 HG21 VAL 95 3HG2 VAL 95 5.508 -0.721 1.267 721 HG22 VAL 95 1HG2 VAL 95 5.154 -1.752 2.656 722 HG23 VAL 95 2HG2 VAL 95 4.890 -2.351 1.017 723 H GLU 96 H GLU 96 9.911 -0.919 0.943 724 HA GLU 96 HA GLU 96 11.739 -2.966 1.533 725 HB2 GLU 96 1HB GLU 96 11.875 -1.611 -0.519 726 HB3 GLU 96 2HB GLU 96 12.227 -0.165 0.417 727 HG2 GLU 96 1HG GLU 96 14.265 -0.971 -0.598 728 HG3 GLU 96 2HG GLU 96 14.374 -1.180 1.148 729 H LYS 97 H LYS 97 11.661 0.423 2.651 730 HA LYS 97 HA LYS 97 13.929 0.238 4.380 731 HB2 LYS 97 1HB LYS 97 11.684 2.290 4.206 732 HB3 LYS 97 2HB LYS 97 13.118 2.491 5.213 733 HG2 LYS 97 1HG LYS 97 14.555 2.499 3.247 734 HG3 LYS 97 2HG LYS 97 13.184 2.140 2.202 735 HD2 LYS 97 1HD LYS 97 13.733 4.495 1.989 736 HD3 LYS 97 2HD LYS 97 12.176 4.352 2.801 737 HE2 LYS 97 1HE LYS 97 14.764 4.747 4.333 738 HE3 LYS 97 2HE LYS 97 13.827 6.104 3.722 739 HZ1 LYS 97 3HZ LYS 97 11.923 5.219 5.035 740 HZ2 LYS 97 1HZ LYS 97 13.237 5.740 5.972 741 HZ3 LYS 97 2HZ LYS 97 12.975 4.090 5.726 742 H HIS 98 H HIS 98 10.515 -0.301 4.809 743 HA HIS 98 HA HIS 98 10.623 -0.478 7.712 744 HB2 HIS 98 1HB HIS 98 8.374 -0.936 5.713 745 HB3 HIS 98 2HB HIS 98 8.184 -1.193 7.447 746 HD1 HIS 98 HD1 HIS 98 6.949 0.737 8.392 747 HD2 HIS 98 HD2 HIS 98 9.653 1.976 5.500 748 HE1 HIS 98 HE1 HIS 98 6.746 3.228 8.286 749 HE2 HIS 98 HE2 HIS 98 8.351 3.943 6.502 750 H ARG 99 H ARG 99 11.062 -2.630 5.054 751 HA ARG 99 HA ARG 99 10.852 -5.068 6.638 752 HB2 ARG 99 1HB ARG 99 10.369 -5.111 4.199 753 HB3 ARG 99 2HB ARG 99 12.010 -4.584 3.853 754 HG2 ARG 99 1HG ARG 99 12.912 -6.695 4.696 755 HG3 ARG 99 2HG ARG 99 11.303 -7.226 5.191 756 HD2 ARG 99 1HD ARG 99 12.010 -8.278 3.065 757 HD3 ARG 99 2HD ARG 99 10.569 -7.281 2.854 758 HE ARG 99 HE ARG 99 13.005 -5.865 2.263 759 HH11 ARG 99 1HH1 ARG 99 10.648 -8.084 0.886 760 HH12 ARG 99 2HH1 ARG 99 11.004 -7.626 -0.750 761 HH21 ARG 99 1HH2 ARG 99 13.443 -5.299 0.105 762 HH22 ARG 99 2HH2 ARG 99 12.560 -6.056 -1.183 763 H ALA 100 H ALA 100 13.313 -2.789 5.558 764 HA ALA 100 HA ALA 100 15.633 -4.214 6.438 765 HB1 ALA 100 3HB ALA 100 15.743 -2.446 4.724 766 HB2 ALA 100 1HB ALA 100 16.808 -2.074 6.081 767 HB3 ALA 100 2HB ALA 100 15.259 -1.241 5.915 768 H ALA 101 H ALA 101 13.469 -1.833 7.899 769 HA ALA 101 HA ALA 101 14.246 -2.640 10.593 770 HB1 ALA 101 3HB ALA 101 14.391 0.289 9.731 771 HB2 ALA 101 1HB ALA 101 15.765 -0.729 10.171 772 HB3 ALA 101 2HB ALA 101 14.558 -0.309 11.384 773 H GLY 102 H GLY 102 12.298 -3.216 11.406 774 HA2 GLY 102 1HA GLY 102 9.800 -2.322 10.231 775 HA3 GLY 102 2HA GLY 102 10.000 -3.512 11.505 776 H SER 103 H SER 103 11.442 -0.395 11.927 777 HA SER 103 HA SER 103 9.305 1.036 13.104 778 HB2 SER 103 1HB SER 103 10.416 1.060 15.468 779 HB3 SER 103 2HB SER 103 9.485 -0.370 15.025 780 HG SER 103 HG SER 103 11.575 -1.266 14.335 Start of MODEL 15 1 H1 MET 1 1H MET 1 30.791 9.433 -11.251 2 H2 MET 1 2H MET 1 32.465 9.284 -11.315 3 H3 MET 1 3H MET 1 31.595 8.481 -10.109 4 HA MET 1 HA MET 1 32.288 6.955 -11.811 5 HB2 MET 1 1HB MET 1 29.289 7.528 -11.802 6 HB3 MET 1 2HB MET 1 30.005 6.046 -12.435 7 HG2 MET 1 1HG MET 1 29.128 5.648 -10.213 8 HG3 MET 1 2HG MET 1 30.887 5.526 -10.179 9 HE1 MET 1 3HE MET 1 30.153 7.002 -6.617 10 HE2 MET 1 1HE MET 1 31.045 5.776 -7.524 11 HE3 MET 1 2HE MET 1 29.279 5.746 -7.488 12 H GLY 2 H GLY 2 32.576 6.451 -13.959 13 HA2 GLY 2 1HA GLY 2 31.449 7.292 -16.276 14 HA3 GLY 2 2HA GLY 2 32.495 8.651 -15.866 15 H SER 3 H SER 3 32.757 5.104 -15.704 16 HA SER 3 HA SER 3 35.073 5.071 -17.488 17 HB2 SER 3 1HB SER 3 36.026 5.383 -15.191 18 HB3 SER 3 2HB SER 3 35.204 3.916 -14.659 19 HG SER 3 HG SER 3 37.537 4.203 -16.028 20 H SER 4 H SER 4 35.244 3.157 -18.615 21 HA SER 4 HA SER 4 33.062 1.258 -18.483 22 HB2 SER 4 1HB SER 4 34.295 0.202 -20.446 23 HB3 SER 4 2HB SER 4 33.836 1.886 -20.688 24 HG SER 4 HG SER 4 36.408 1.008 -19.848 25 H HIS 5 H HIS 5 33.136 -0.120 -16.808 26 HA HIS 5 HA HIS 5 35.606 -1.216 -15.738 27 HB2 HIS 5 1HB HIS 5 32.681 -1.587 -14.989 28 HB3 HIS 5 2HB HIS 5 33.976 -2.495 -14.211 29 HD1 HIS 5 HD1 HIS 5 35.023 -1.407 -12.232 30 HD2 HIS 5 HD2 HIS 5 33.034 1.354 -14.614 31 HE1 HIS 5 HE1 HIS 5 35.122 0.764 -10.983 32 HE2 HIS 5 HE2 HIS 5 34.070 2.444 -12.520 33 H ASP 6 H ASP 6 35.707 -3.652 -15.350 34 HA ASP 6 HA ASP 6 36.054 -4.825 -17.888 35 HB2 ASP 6 1HB ASP 6 37.477 -5.386 -15.949 36 HB3 ASP 6 2HB ASP 6 36.117 -6.179 -15.157 37 H HIS 7 H HIS 7 33.699 -5.669 -15.298 38 HA HIS 7 HA HIS 7 31.678 -6.365 -17.240 39 HB2 HIS 7 1HB HIS 7 31.408 -8.713 -16.743 40 HB3 HIS 7 2HB HIS 7 33.105 -8.473 -17.149 41 HD1 HIS 7 HD1 HIS 7 30.988 -10.015 -14.672 42 HD2 HIS 7 HD2 HIS 7 34.780 -8.324 -14.651 43 HE1 HIS 7 HE1 HIS 7 32.098 -10.875 -12.602 44 HE2 HIS 7 HE2 HIS 7 34.322 -9.702 -12.531 45 H HIS 8 H HIS 8 29.687 -7.245 -16.137 46 HA HIS 8 HA HIS 8 29.333 -6.272 -13.359 47 HB2 HIS 8 1HB HIS 8 27.561 -5.813 -15.791 48 HB3 HIS 8 2HB HIS 8 26.874 -5.799 -14.172 49 HD1 HIS 8 HD1 HIS 8 26.912 -3.635 -12.987 50 HD2 HIS 8 HD2 HIS 8 29.668 -3.708 -16.099 51 HE1 HIS 8 HE1 HIS 8 27.822 -1.307 -13.135 52 HE2 HIS 8 HE2 HIS 8 29.614 -1.424 -14.894 53 H HIS 9 H HIS 9 28.193 -7.600 -12.017 54 HA HIS 9 HA HIS 9 26.440 -9.687 -12.955 55 HB2 HIS 9 1HB HIS 9 28.571 -10.921 -13.143 56 HB3 HIS 9 2HB HIS 9 29.011 -10.472 -11.497 57 HD1 HIS 9 HD1 HIS 9 28.542 -12.271 -9.823 58 HD2 HIS 9 HD2 HIS 9 25.995 -12.534 -13.096 59 HE1 HIS 9 HE1 HIS 9 27.083 -14.261 -9.389 60 HE2 HIS 9 HE2 HIS 9 25.505 -14.353 -11.344 61 H HIS 10 H HIS 10 24.751 -9.362 -11.639 62 HA HIS 10 HA HIS 10 25.151 -8.652 -8.814 63 HB2 HIS 10 1HB HIS 10 22.776 -8.152 -8.723 64 HB3 HIS 10 2HB HIS 10 23.461 -7.357 -10.131 65 HD1 HIS 10 HD1 HIS 10 20.871 -9.785 -9.107 66 HD2 HIS 10 HD2 HIS 10 22.621 -8.527 -12.652 67 HE1 HIS 10 HE1 HIS 10 19.393 -10.654 -10.933 68 HE2 HIS 10 HE2 HIS 10 20.601 -10.057 -13.060 69 H SER 11 H SER 11 25.163 -10.203 -7.316 70 HA SER 11 HA SER 11 24.167 -12.914 -7.874 71 HB2 SER 11 1HB SER 11 25.661 -11.787 -5.459 72 HB3 SER 11 2HB SER 11 25.279 -13.489 -5.726 73 HG SER 11 HG SER 11 27.354 -13.144 -6.425 74 H SER 12 H SER 12 22.021 -11.640 -8.033 75 HA SER 12 HA SER 12 20.455 -11.934 -5.593 76 HB2 SER 12 1HB SER 12 19.556 -9.577 -5.746 77 HB3 SER 12 2HB SER 12 21.274 -9.629 -5.328 78 HG SER 12 HG SER 12 20.528 -8.102 -7.061 79 H GLY 13 H GLY 13 18.068 -11.118 -6.212 80 HA2 GLY 13 1HA GLY 13 16.244 -11.156 -7.652 81 HA3 GLY 13 2HA GLY 13 17.301 -11.592 -8.994 82 H ARG 14 H ARG 14 18.359 -13.835 -8.673 83 HA ARG 14 HA ARG 14 16.310 -15.853 -8.137 84 HB2 ARG 14 1HB ARG 14 19.163 -16.164 -9.188 85 HB3 ARG 14 2HB ARG 14 17.945 -17.435 -9.136 86 HG2 ARG 14 1HG ARG 14 16.546 -16.121 -10.726 87 HG3 ARG 14 2HG ARG 14 17.825 -14.909 -10.816 88 HD2 ARG 14 1HD ARG 14 19.368 -16.622 -11.735 89 HD3 ARG 14 2HD ARG 14 18.074 -17.825 -11.647 90 HE ARG 14 HE ARG 14 17.458 -15.444 -13.186 91 HH11 ARG 14 1HH1 ARG 14 18.614 -18.761 -13.336 92 HH12 ARG 14 2HH1 ARG 14 18.340 -18.900 -15.042 93 HH21 ARG 14 1HH2 ARG 14 17.111 -15.644 -15.409 94 HH22 ARG 14 2HH2 ARG 14 17.492 -17.133 -16.218 95 H GLU 15 H GLU 15 17.552 -17.992 -7.197 96 HA GLU 15 HA GLU 15 18.174 -19.115 -5.340 97 HB2 GLU 15 1HB GLU 15 20.395 -17.965 -5.906 98 HB3 GLU 15 2HB GLU 15 19.998 -16.747 -4.701 99 HG2 GLU 15 1HG GLU 15 20.026 -18.475 -2.936 100 HG3 GLU 15 2HG GLU 15 20.375 -19.709 -4.147 101 H ASN 16 H ASN 16 15.967 -17.153 -5.334 102 HA ASN 16 HA ASN 16 15.697 -16.276 -2.547 103 HB2 ASN 16 1HB ASN 16 13.675 -15.093 -3.341 104 HB3 ASN 16 2HB ASN 16 15.072 -14.679 -4.324 105 HD21 ASN 16 2HD2 ASN 16 12.197 -14.503 -4.929 106 HD22 ASN 16 1HD2 ASN 16 11.969 -15.405 -6.382 107 H LEU 17 H LEU 17 15.448 -19.134 -3.849 108 HA LEU 17 HA LEU 17 12.785 -19.998 -3.184 109 HB2 LEU 17 1HB LEU 17 15.287 -21.520 -3.997 110 HB3 LEU 17 2HB LEU 17 13.773 -22.316 -3.603 111 HG LEU 17 HG LEU 17 12.684 -20.971 -5.495 112 HD11 LEU 17 1HD1 LEU 17 14.105 -20.071 -7.270 113 HD12 LEU 17 2HD1 LEU 17 15.549 -20.386 -6.302 114 HD13 LEU 17 3HD1 LEU 17 14.359 -19.203 -5.755 115 HD21 LEU 17 3HD2 LEU 17 13.469 -22.504 -7.247 116 HD22 LEU 17 1HD2 LEU 17 13.212 -23.346 -5.721 117 HD23 LEU 17 2HD2 LEU 17 14.853 -22.960 -6.249 118 H TYR 18 H TYR 18 12.347 -19.743 -1.057 119 HA TYR 18 HA TYR 18 14.131 -20.495 1.079 120 HB2 TYR 18 1HB TYR 18 11.174 -19.739 1.117 121 HB3 TYR 18 2HB TYR 18 12.167 -19.962 2.555 122 HD1 TYR 18 HD2 TYR 18 14.287 -18.441 2.781 123 HD2 TYR 18 HD1 TYR 18 11.078 -17.567 0.094 124 HE1 TYR 18 HE2 TYR 18 15.011 -16.096 2.669 125 HE2 TYR 18 HE1 TYR 18 11.815 -15.225 -0.020 126 HH TYR 18 HH TYR 18 14.832 -14.167 1.190 127 H PHE 19 H PHE 19 14.088 -22.308 2.326 128 HA PHE 19 HA PHE 19 13.024 -24.738 1.205 129 HB2 PHE 19 1HB PHE 19 14.465 -24.313 3.862 130 HB3 PHE 19 2HB PHE 19 14.216 -25.861 3.058 131 HD1 PHE 19 HD2 PHE 19 15.286 -26.181 0.712 132 HD2 PHE 19 HD1 PHE 19 16.426 -23.036 3.383 133 HE1 PHE 19 HE2 PHE 19 17.400 -25.896 -0.513 134 HE2 PHE 19 HE1 PHE 19 18.531 -22.755 2.146 135 HZ PHE 19 HZ PHE 19 19.025 -24.182 0.199 136 H GLN 20 H GLN 20 12.080 -22.540 3.723 137 HA GLN 20 HA GLN 20 9.963 -24.303 4.784 138 HB2 GLN 20 1HB GLN 20 10.947 -21.560 5.693 139 HB3 GLN 20 2HB GLN 20 9.703 -22.505 6.507 140 HG2 GLN 20 1HG GLN 20 11.325 -24.236 7.071 141 HG3 GLN 20 2HG GLN 20 12.575 -23.414 6.145 142 HE21 GLN 20 2HE2 GLN 20 13.512 -21.525 7.000 143 HE22 GLN 20 1HE2 GLN 20 13.360 -21.086 8.663 144 H GLY 21 H GLY 21 9.920 -23.070 2.047 145 HA2 GLY 21 1HA GLY 21 7.191 -22.015 2.146 146 HA3 GLY 21 2HA GLY 21 8.415 -20.932 1.488 147 H HIS 22 H HIS 22 6.274 -23.489 0.791 148 HA HIS 22 HA HIS 22 7.640 -24.613 -1.471 149 HB2 HIS 22 1HB HIS 22 5.551 -25.791 -1.972 150 HB3 HIS 22 2HB HIS 22 5.893 -25.887 -0.253 151 HD1 HIS 22 HD1 HIS 22 4.340 -24.357 1.315 152 HD2 HIS 22 HD2 HIS 22 3.078 -24.727 -2.623 153 HE1 HIS 22 HE1 HIS 22 1.953 -23.606 1.300 154 HE2 HIS 22 HE2 HIS 22 1.261 -23.710 -1.113 155 H MET 23 H MET 23 5.044 -22.204 -1.122 156 HA MET 23 HA MET 23 5.819 -20.843 -3.576 157 HB2 MET 23 1HB MET 23 3.027 -21.984 -3.142 158 HB3 MET 23 2HB MET 23 3.317 -20.628 -4.220 159 HG2 MET 23 1HG MET 23 4.815 -22.074 -5.577 160 HG3 MET 23 2HG MET 23 4.418 -23.432 -4.524 161 HE1 MET 23 3HE MET 23 1.309 -21.314 -7.226 162 HE2 MET 23 1HE MET 23 3.010 -20.849 -7.154 163 HE3 MET 23 2HE MET 23 1.952 -20.563 -5.769 164 HA PRO 24 HA PRO 24 4.773 -17.715 -0.358 165 HB2 PRO 24 1HB PRO 24 6.254 -15.672 -1.447 166 HB3 PRO 24 2HB PRO 24 6.972 -16.929 -0.427 167 HG2 PRO 24 1HG PRO 24 6.917 -16.731 -3.437 168 HG3 PRO 24 2HG PRO 24 8.275 -17.155 -2.369 169 HD2 PRO 24 1HD PRO 24 6.819 -19.049 -3.681 170 HD3 PRO 24 2HD PRO 24 7.527 -19.352 -2.078 171 H ASN 25 H ASN 25 3.152 -16.215 -0.431 172 HA ASN 25 HA ASN 25 1.596 -15.762 -2.802 173 HB2 ASN 25 1HB ASN 25 0.563 -15.875 -0.566 174 HB3 ASN 25 2HB ASN 25 1.481 -14.473 -0.041 175 HD21 ASN 25 2HD2 ASN 25 -1.132 -15.545 -2.114 176 HD22 ASN 25 1HD2 ASN 25 -1.896 -14.009 -2.278 177 H ASP 26 H ASP 26 4.271 -14.200 -1.280 178 HA ASP 26 HA ASP 26 5.819 -12.780 -2.052 179 HB2 ASP 26 1HB ASP 26 5.500 -13.601 -4.323 180 HB3 ASP 26 2HB ASP 26 4.061 -12.611 -4.537 181 H MET 27 H MET 27 6.301 -10.568 -1.972 182 HA MET 27 HA MET 27 4.395 -8.886 -0.655 183 HB2 MET 27 1HB MET 27 6.729 -8.601 -0.068 184 HB3 MET 27 2HB MET 27 7.193 -8.350 -1.745 185 HG2 MET 27 1HG MET 27 5.930 -6.204 -1.747 186 HG3 MET 27 2HG MET 27 5.554 -6.446 -0.040 187 HE1 MET 27 3HE MET 27 7.165 -3.954 -1.662 188 HE2 MET 27 1HE MET 27 8.300 -3.512 -0.389 189 HE3 MET 27 2HE MET 27 6.611 -3.830 0.009 190 H GLU 28 H GLU 28 5.928 -8.810 -3.882 191 HA GLU 28 HA GLU 28 5.014 -6.259 -4.634 192 HB2 GLU 28 1HB GLU 28 6.989 -7.216 -5.639 193 HB3 GLU 28 2HB GLU 28 6.073 -8.574 -6.282 194 HG2 GLU 28 1HG GLU 28 4.950 -7.167 -7.889 195 HG3 GLU 28 2HG GLU 28 5.606 -5.704 -7.160 196 H ASP 29 H ASP 29 3.911 -9.445 -5.823 197 HA ASP 29 HA ASP 29 1.894 -8.462 -7.518 198 HB2 ASP 29 1HB ASP 29 2.851 -10.741 -7.724 199 HB3 ASP 29 2HB ASP 29 2.092 -11.208 -6.202 200 H HIS 30 H HIS 30 1.793 -9.635 -4.164 201 HA HIS 30 HA HIS 30 -1.007 -9.379 -3.755 202 HB2 HIS 30 1HB HIS 30 0.416 -10.785 -2.306 203 HB3 HIS 30 2HB HIS 30 1.245 -9.361 -1.697 204 HD1 HIS 30 HD1 HIS 30 -2.039 -11.168 -1.496 205 HD2 HIS 30 HD2 HIS 30 -0.122 -7.964 0.307 206 HE1 HIS 30 HE1 HIS 30 -3.519 -10.487 0.404 207 HE2 HIS 30 HE2 HIS 30 -2.219 -8.715 1.609 208 H LEU 31 H LEU 31 1.672 -7.110 -3.499 209 HA LEU 31 HA LEU 31 0.414 -5.099 -1.940 210 HB2 LEU 31 1HB LEU 31 2.911 -5.321 -2.408 211 HB3 LEU 31 2HB LEU 31 2.606 -4.688 -4.014 212 HG LEU 31 HG LEU 31 1.783 -2.550 -2.983 213 HD11 LEU 31 1HD1 LEU 31 2.685 -3.784 -0.351 214 HD12 LEU 31 2HD1 LEU 31 1.027 -3.395 -0.809 215 HD13 LEU 31 3HD1 LEU 31 2.200 -2.101 -0.586 216 HD21 LEU 31 3HD2 LEU 31 3.995 -1.692 -2.312 217 HD22 LEU 31 1HD2 LEU 31 4.124 -2.724 -3.734 218 HD23 LEU 31 2HD2 LEU 31 4.604 -3.342 -2.153 219 H LEU 32 H LEU 32 0.797 -5.573 -5.436 220 HA LEU 32 HA LEU 32 -0.784 -3.393 -6.318 221 HB2 LEU 32 1HB LEU 32 0.187 -5.953 -7.601 222 HB3 LEU 32 2HB LEU 32 -1.002 -4.978 -8.447 223 HG LEU 32 HG LEU 32 0.547 -3.074 -8.550 224 HD11 LEU 32 1HD1 LEU 32 1.771 -3.361 -6.456 225 HD12 LEU 32 2HD1 LEU 32 2.878 -3.209 -7.816 226 HD13 LEU 32 3HD1 LEU 32 2.576 -4.795 -7.100 227 HD21 LEU 32 3HD2 LEU 32 1.873 -5.637 -9.511 228 HD22 LEU 32 1HD2 LEU 32 2.210 -4.006 -10.104 229 HD23 LEU 32 2HD2 LEU 32 0.626 -4.729 -10.368 230 H THR 33 H THR 33 -1.640 -6.671 -5.276 231 HA THR 33 HA THR 33 -4.350 -6.689 -6.178 232 HB THR 33 HB THR 33 -3.278 -8.205 -3.742 233 HG1 THR 33 HG1 THR 33 -2.233 -8.413 -6.013 234 HG21 THR 33 3HG2 THR 33 -5.560 -8.856 -5.653 235 HG22 THR 33 1HG2 THR 33 -5.748 -8.281 -3.994 236 HG23 THR 33 2HG2 THR 33 -5.027 -9.861 -4.304 237 H VAL 34 H VAL 34 -2.772 -5.734 -3.174 238 HA VAL 34 HA VAL 34 -5.014 -5.060 -1.623 239 HB VAL 34 HB VAL 34 -2.096 -4.184 -1.550 240 HG11 VAL 34 1HG1 VAL 34 -4.242 -3.290 0.403 241 HG12 VAL 34 2HG1 VAL 34 -3.286 -2.265 -0.668 242 HG13 VAL 34 3HG1 VAL 34 -2.502 -3.115 0.661 243 HG21 VAL 34 3HG2 VAL 34 -2.562 -6.493 -0.858 244 HG22 VAL 34 1HG2 VAL 34 -3.737 -5.930 0.335 245 HG23 VAL 34 2HG2 VAL 34 -2.024 -5.542 0.525 246 H LEU 35 H LEU 35 -3.003 -3.122 -3.832 247 HA LEU 35 HA LEU 35 -4.353 -0.648 -3.446 248 HB2 LEU 35 1HB LEU 35 -2.711 -1.548 -5.845 249 HB3 LEU 35 2HB LEU 35 -3.141 0.111 -5.449 250 HG LEU 35 HG LEU 35 -1.237 -1.703 -3.932 251 HD11 LEU 35 1HD1 LEU 35 -0.254 -0.693 -5.920 252 HD12 LEU 35 2HD1 LEU 35 0.463 -0.018 -4.459 253 HD13 LEU 35 3HD1 LEU 35 -0.731 0.915 -5.365 254 HD21 LEU 35 3HD2 LEU 35 -2.237 1.034 -3.086 255 HD22 LEU 35 1HD2 LEU 35 -0.893 0.165 -2.342 256 HD23 LEU 35 2HD2 LEU 35 -2.517 -0.500 -2.258 257 H SER 36 H SER 36 -4.837 -3.368 -5.612 258 HA SER 36 HA SER 36 -6.742 -2.252 -7.361 259 HB2 SER 36 1HB SER 36 -5.581 -4.358 -7.872 260 HB3 SER 36 2HB SER 36 -6.358 -5.152 -6.506 261 HG SER 36 HG SER 36 -8.012 -3.940 -8.406 262 H VAL 37 H VAL 37 -7.018 -3.771 -4.207 263 HA VAL 37 HA VAL 37 -9.925 -3.719 -4.112 264 HB VAL 37 HB VAL 37 -7.845 -4.419 -1.976 265 HG11 VAL 37 1HG1 VAL 37 -10.862 -4.844 -1.879 266 HG12 VAL 37 2HG1 VAL 37 -9.928 -3.734 -0.875 267 HG13 VAL 37 3HG1 VAL 37 -9.698 -5.473 -0.705 268 HG21 VAL 37 3HG2 VAL 37 -7.827 -5.963 -3.895 269 HG22 VAL 37 1HG2 VAL 37 -9.563 -6.237 -3.721 270 HG23 VAL 37 2HG2 VAL 37 -8.449 -6.771 -2.459 271 H ALA 38 H ALA 38 -7.284 -1.637 -3.204 272 HA ALA 38 HA ALA 38 -8.769 -0.019 -1.306 273 HB1 ALA 38 3HB ALA 38 -6.359 -0.399 -0.982 274 HB2 ALA 38 1HB ALA 38 -6.715 1.322 -1.151 275 HB3 ALA 38 2HB ALA 38 -6.019 0.424 -2.504 276 H SER 39 H SER 39 -8.076 0.074 -4.746 277 HA SER 39 HA SER 39 -9.101 2.841 -4.985 278 HB2 SER 39 1HB SER 39 -7.964 2.910 -7.160 279 HB3 SER 39 2HB SER 39 -6.826 2.437 -5.903 280 HG SER 39 HG SER 39 -6.488 0.675 -6.974 281 H GLY 40 H GLY 40 -9.241 -0.322 -6.672 282 HA2 GLY 40 1HA GLY 40 -11.594 -1.189 -6.977 283 HA3 GLY 40 2HA GLY 40 -11.932 0.361 -7.746 284 H VAL 41 H VAL 41 -9.234 0.432 -9.030 285 HA VAL 41 HA VAL 41 -9.872 -1.073 -11.405 286 HB VAL 41 HB VAL 41 -7.833 -0.011 -12.370 287 HG11 VAL 41 1HG1 VAL 41 -8.657 2.315 -12.380 288 HG12 VAL 41 2HG1 VAL 41 -9.682 1.959 -10.987 289 HG13 VAL 41 3HG1 VAL 41 -9.979 1.158 -12.532 290 HG21 VAL 41 3HG2 VAL 41 -6.570 1.701 -11.105 291 HG22 VAL 41 1HG2 VAL 41 -6.402 0.104 -10.375 292 HG23 VAL 41 2HG2 VAL 41 -7.482 1.297 -9.646 293 HA PRO 42 HA PRO 42 -7.562 -4.792 -10.401 294 HB2 PRO 42 1HB PRO 42 -6.938 -5.699 -12.947 295 HB3 PRO 42 2HB PRO 42 -8.539 -5.849 -12.214 296 HG2 PRO 42 1HG PRO 42 -7.528 -3.757 -14.138 297 HG3 PRO 42 2HG PRO 42 -9.065 -4.653 -14.163 298 HD2 PRO 42 1HD PRO 42 -8.944 -2.130 -13.223 299 HD3 PRO 42 2HD PRO 42 -10.009 -3.336 -12.468 300 H LYS 43 H LYS 43 -5.444 -5.905 -10.828 301 HA LYS 43 HA LYS 43 -3.238 -4.202 -10.322 302 HB2 LYS 43 1HB LYS 43 -3.190 -7.109 -11.236 303 HB3 LYS 43 2HB LYS 43 -1.864 -6.248 -10.458 304 HG2 LYS 43 1HG LYS 43 -3.239 -6.039 -8.395 305 HG3 LYS 43 2HG LYS 43 -4.531 -6.947 -9.184 306 HD2 LYS 43 1HD LYS 43 -1.724 -7.998 -8.631 307 HD3 LYS 43 2HD LYS 43 -3.161 -8.373 -7.683 308 HE2 LYS 43 1HE LYS 43 -4.181 -9.490 -9.605 309 HE3 LYS 43 2HE LYS 43 -2.800 -9.062 -10.618 310 HZ1 LYS 43 3HZ LYS 43 -2.649 -11.334 -9.824 311 HZ2 LYS 43 1HZ LYS 43 -2.704 -10.806 -8.223 312 HZ3 LYS 43 2HZ LYS 43 -1.387 -10.408 -9.195 313 H GLU 44 H GLU 44 -4.587 -5.388 -13.277 314 HA GLU 44 HA GLU 44 -2.316 -5.103 -14.975 315 HB2 GLU 44 1HB GLU 44 -5.287 -5.050 -15.663 316 HB3 GLU 44 2HB GLU 44 -3.973 -5.256 -16.825 317 HG2 GLU 44 1HG GLU 44 -3.311 -7.362 -15.587 318 HG3 GLU 44 2HG GLU 44 -4.753 -7.163 -14.593 319 H GLU 45 H GLU 45 -4.760 -2.899 -13.776 320 HA GLU 45 HA GLU 45 -3.850 -0.670 -15.453 321 HB2 GLU 45 1HB GLU 45 -5.962 -0.600 -13.260 322 HB3 GLU 45 2HB GLU 45 -5.723 0.566 -14.558 323 HG2 GLU 45 1HG GLU 45 -6.731 -2.278 -14.840 324 HG3 GLU 45 2HG GLU 45 -7.690 -0.807 -14.987 325 H ILE 46 H ILE 46 -2.585 -2.132 -12.855 326 HA ILE 46 HA ILE 46 -1.497 0.364 -11.671 327 HB ILE 46 HB ILE 46 -2.031 -2.263 -10.186 328 HG12 ILE 46 1HG1 ILE 46 -3.469 0.415 -9.803 329 HG13 ILE 46 2HG1 ILE 46 -4.132 -0.934 -10.715 330 HG21 ILE 46 1HG2 ILE 46 -1.356 -0.991 -8.141 331 HG22 ILE 46 2HG2 ILE 46 -0.937 0.393 -9.157 332 HG23 ILE 46 3HG2 ILE 46 -0.045 -1.118 -9.316 333 HD11 ILE 46 3HD1 ILE 46 -5.083 -0.813 -8.507 334 HD12 ILE 46 1HD1 ILE 46 -3.484 -0.940 -7.775 335 HD13 ILE 46 2HD1 ILE 46 -4.151 -2.297 -8.691 336 H SER 47 H SER 47 0.438 0.358 -12.836 337 HA SER 47 HA SER 47 2.122 -2.067 -12.771 338 HB2 SER 47 1HB SER 47 3.552 -0.818 -14.411 339 HB3 SER 47 2HB SER 47 1.900 -1.081 -14.979 340 HG SER 47 HG SER 47 1.442 1.033 -14.640 341 H ARG 48 H ARG 48 4.286 -1.920 -12.038 342 HA ARG 48 HA ARG 48 4.434 -0.762 -9.448 343 HB2 ARG 48 1HB ARG 48 6.506 -1.943 -9.205 344 HB3 ARG 48 2HB ARG 48 5.449 -2.967 -10.167 345 HG2 ARG 48 1HG ARG 48 6.661 -2.164 -12.227 346 HG3 ARG 48 2HG ARG 48 7.770 -1.293 -11.169 347 HD2 ARG 48 1HD ARG 48 7.423 -4.279 -11.477 348 HD3 ARG 48 2HD ARG 48 8.886 -3.319 -11.698 349 HE ARG 48 HE ARG 48 7.837 -4.410 -9.248 350 HH11 ARG 48 1HH1 ARG 48 9.978 -1.897 -10.483 351 HH12 ARG 48 2HH1 ARG 48 10.855 -1.781 -8.992 352 HH21 ARG 48 1HH2 ARG 48 9.013 -4.253 -7.358 353 HH22 ARG 48 2HH2 ARG 48 10.319 -3.114 -7.227 354 H ASP 49 H ASP 49 5.477 0.355 -12.533 355 HA ASP 49 HA ASP 49 7.418 2.299 -11.445 356 HB2 ASP 49 1HB ASP 49 8.143 0.794 -13.290 357 HB3 ASP 49 2HB ASP 49 6.852 1.407 -14.314 358 H SER 50 H SER 50 4.190 2.251 -11.915 359 HA SER 50 HA SER 50 3.772 4.699 -13.425 360 HB2 SER 50 1HB SER 50 2.216 2.660 -13.464 361 HB3 SER 50 2HB SER 50 1.718 3.110 -11.841 362 HG SER 50 HG SER 50 1.208 4.361 -14.284 363 H ARG 51 H ARG 51 2.376 6.417 -12.538 364 HA ARG 51 HA ARG 51 2.963 7.399 -9.932 365 HB2 ARG 51 1HB ARG 51 0.610 8.098 -11.754 366 HB3 ARG 51 2HB ARG 51 1.116 9.022 -10.349 367 HG2 ARG 51 1HG ARG 51 2.751 8.632 -12.870 368 HG3 ARG 51 2HG ARG 51 1.800 10.066 -12.478 369 HD2 ARG 51 1HD ARG 51 3.228 10.389 -10.445 370 HD3 ARG 51 2HD ARG 51 4.219 9.023 -10.972 371 HE ARG 51 HE ARG 51 4.700 10.321 -13.022 372 HH11 ARG 51 1HH1 ARG 51 3.768 12.061 -10.112 373 HH12 ARG 51 2HH1 ARG 51 4.479 13.552 -10.639 374 HH21 ARG 51 1HH2 ARG 51 5.612 12.267 -13.692 375 HH22 ARG 51 2HH2 ARG 51 5.524 13.667 -12.676 376 H MET 52 H MET 52 1.628 7.391 -8.110 377 HA MET 52 HA MET 52 -0.299 5.182 -7.909 378 HB2 MET 52 1HB MET 52 1.689 5.110 -6.415 379 HB3 MET 52 2HB MET 52 1.221 6.647 -5.697 380 HG2 MET 52 1HG MET 52 -0.701 5.695 -4.709 381 HG3 MET 52 2HG MET 52 -0.554 4.220 -5.670 382 HE1 MET 52 3HE MET 52 -0.548 2.415 -3.864 383 HE2 MET 52 1HE MET 52 -1.174 3.772 -2.924 384 HE3 MET 52 2HE MET 52 0.085 2.749 -2.250 385 H GLU 53 H GLU 53 0.124 8.183 -6.032 386 HA GLU 53 HA GLU 53 -1.381 9.486 -4.982 387 HB2 GLU 53 1HB GLU 53 -0.729 10.696 -7.043 388 HB3 GLU 53 2HB GLU 53 -2.127 10.029 -7.881 389 HG2 GLU 53 1HG GLU 53 -3.654 11.263 -6.504 390 HG3 GLU 53 2HG GLU 53 -2.371 11.740 -5.394 391 H ASP 54 H ASP 54 -3.647 8.561 -7.642 392 HA ASP 54 HA ASP 54 -5.946 8.653 -6.043 393 HB2 ASP 54 1HB ASP 54 -5.965 8.756 -8.514 394 HB3 ASP 54 2HB ASP 54 -5.483 7.065 -8.607 395 H LEU 55 H LEU 55 -3.671 6.016 -6.537 396 HA LEU 55 HA LEU 55 -5.284 3.869 -5.562 397 HB2 LEU 55 1HB LEU 55 -2.265 4.049 -5.682 398 HB3 LEU 55 2HB LEU 55 -3.194 2.575 -5.504 399 HG LEU 55 HG LEU 55 -3.260 4.363 -7.971 400 HD11 LEU 55 1HD1 LEU 55 -1.919 2.629 -9.084 401 HD12 LEU 55 2HD1 LEU 55 -1.774 1.752 -7.559 402 HD13 LEU 55 3HD1 LEU 55 -1.049 3.352 -7.732 403 HD21 LEU 55 3HD2 LEU 55 -5.335 3.109 -7.686 404 HD22 LEU 55 1HD2 LEU 55 -4.433 1.601 -7.506 405 HD23 LEU 55 2HD2 LEU 55 -4.418 2.469 -9.044 406 H ALA 56 H ALA 56 -3.255 6.271 -3.952 407 HA ALA 56 HA ALA 56 -4.514 5.861 -1.448 408 HB1 ALA 56 3HB ALA 56 -1.582 5.049 -1.460 409 HB2 ALA 56 1HB ALA 56 -2.948 3.954 -1.242 410 HB3 ALA 56 2HB ALA 56 -2.615 5.197 -0.037 411 H PHE 57 H PHE 57 -4.938 8.004 -1.492 412 HA PHE 57 HA PHE 57 -3.047 9.808 -0.361 413 HB2 PHE 57 1HB PHE 57 -2.540 9.760 -2.971 414 HB3 PHE 57 2HB PHE 57 -4.030 10.658 -3.125 415 HD1 PHE 57 HD1 PHE 57 -4.169 12.967 -1.919 416 HD2 PHE 57 HD2 PHE 57 -0.497 10.870 -2.581 417 HE1 PHE 57 HE1 PHE 57 -2.925 15.060 -1.684 418 HE2 PHE 57 HE2 PHE 57 0.741 12.981 -2.331 419 HZ PHE 57 HZ PHE 57 -0.477 15.079 -1.885 420 H ASP 58 H ASP 58 -5.220 8.892 0.657 421 HA ASP 58 HA ASP 58 -7.200 10.974 0.845 422 HB2 ASP 58 1HB ASP 58 -8.119 9.987 -1.179 423 HB3 ASP 58 2HB ASP 58 -7.862 8.349 -0.593 424 H SER 59 H SER 59 -8.177 10.811 2.830 425 HA SER 59 HA SER 59 -6.999 9.488 4.905 426 HB2 SER 59 1HB SER 59 -9.081 10.097 6.221 427 HB3 SER 59 2HB SER 59 -8.407 11.427 5.280 428 HG SER 59 HG SER 59 -10.126 11.442 4.042 429 H LEU 60 H LEU 60 -9.962 8.403 3.188 430 HA LEU 60 HA LEU 60 -10.434 6.156 4.902 431 HB2 LEU 60 1HB LEU 60 -12.257 7.214 3.638 432 HB3 LEU 60 2HB LEU 60 -11.498 6.768 2.120 433 HG LEU 60 HG LEU 60 -11.883 4.356 2.628 434 HD11 LEU 60 1HD1 LEU 60 -13.316 3.667 4.508 435 HD12 LEU 60 2HD1 LEU 60 -13.318 5.322 5.122 436 HD13 LEU 60 3HD1 LEU 60 -11.814 4.401 5.066 437 HD21 LEU 60 3HD2 LEU 60 -14.412 6.031 2.796 438 HD22 LEU 60 1HD2 LEU 60 -14.316 4.334 2.310 439 HD23 LEU 60 2HD2 LEU 60 -13.557 5.576 1.317 440 H VAL 61 H VAL 61 -8.811 6.575 1.743 441 HA VAL 61 HA VAL 61 -8.308 3.799 1.274 442 HB VAL 61 HB VAL 61 -6.640 6.128 0.160 443 HG11 VAL 61 1HG1 VAL 61 -6.118 4.522 -1.671 444 HG12 VAL 61 2HG1 VAL 61 -7.026 3.261 -0.830 445 HG13 VAL 61 3HG1 VAL 61 -5.563 3.930 -0.106 446 HG21 VAL 61 3HG2 VAL 61 -8.108 6.025 -1.834 447 HG22 VAL 61 1HG2 VAL 61 -9.032 6.445 -0.390 448 HG23 VAL 61 2HG2 VAL 61 -9.120 4.811 -1.044 449 H VAL 62 H VAL 62 -6.565 6.300 3.025 450 HA VAL 62 HA VAL 62 -4.106 4.897 3.445 451 HB VAL 62 HB VAL 62 -5.356 7.287 4.896 452 HG11 VAL 62 1HG1 VAL 62 -2.536 6.183 5.239 453 HG12 VAL 62 2HG1 VAL 62 -3.809 6.211 6.457 454 HG13 VAL 62 3HG1 VAL 62 -3.112 7.724 5.887 455 HG21 VAL 62 3HG2 VAL 62 -3.729 8.621 3.612 456 HG22 VAL 62 1HG2 VAL 62 -4.750 7.678 2.530 457 HG23 VAL 62 2HG2 VAL 62 -3.096 7.158 2.852 458 H SER 63 H SER 63 -7.111 5.271 5.301 459 HA SER 63 HA SER 63 -6.392 3.782 7.595 460 HB2 SER 63 1HB SER 63 -9.141 4.241 6.349 461 HB3 SER 63 2HB SER 63 -8.854 3.625 7.983 462 HG SER 63 HG SER 63 -8.754 6.185 7.032 463 H GLU 64 H GLU 64 -7.916 2.878 4.526 464 HA GLU 64 HA GLU 64 -8.453 0.154 5.065 465 HB2 GLU 64 1HB GLU 64 -9.511 1.536 3.244 466 HB3 GLU 64 2HB GLU 64 -7.983 1.524 2.374 467 HG2 GLU 64 1HG GLU 64 -9.527 -0.094 1.403 468 HG3 GLU 64 2HG GLU 64 -8.148 -0.931 2.121 469 H LEU 65 H LEU 65 -5.740 1.802 3.516 470 HA LEU 65 HA LEU 65 -4.292 -0.506 2.690 471 HB2 LEU 65 1HB LEU 65 -4.059 1.678 1.571 472 HB3 LEU 65 2HB LEU 65 -3.401 2.386 3.037 473 HG LEU 65 HG LEU 65 -1.361 1.006 2.825 474 HD11 LEU 65 1HD1 LEU 65 -0.928 -0.390 0.841 475 HD12 LEU 65 2HD1 LEU 65 -2.588 -0.137 0.293 476 HD13 LEU 65 3HD1 LEU 65 -2.274 -1.010 1.794 477 HD21 LEU 65 3HD2 LEU 65 -1.400 3.197 1.708 478 HD22 LEU 65 1HD2 LEU 65 -2.022 2.452 0.232 479 HD23 LEU 65 2HD2 LEU 65 -0.403 2.053 0.816 480 H SER 66 H SER 66 -4.139 1.643 5.511 481 HA SER 66 HA SER 66 -1.858 0.608 6.785 482 HB2 SER 66 1HB SER 66 -2.945 2.725 7.485 483 HB3 SER 66 2HB SER 66 -4.335 1.825 8.089 484 HG SER 66 HG SER 66 -1.751 2.046 9.115 485 H LEU 67 H LEU 67 -5.266 -0.377 6.901 486 HA LEU 67 HA LEU 67 -5.053 -2.432 8.829 487 HB2 LEU 67 1HB LEU 67 -7.000 -2.095 6.513 488 HB3 LEU 67 2HB LEU 67 -7.163 -3.339 7.745 489 HG LEU 67 HG LEU 67 -7.280 -0.342 8.258 490 HD11 LEU 67 1HD1 LEU 67 -9.678 -0.697 8.709 491 HD12 LEU 67 2HD1 LEU 67 -9.520 -2.385 8.220 492 HD13 LEU 67 3HD1 LEU 67 -9.254 -1.096 7.044 493 HD21 LEU 67 3HD2 LEU 67 -7.694 -2.653 10.187 494 HD22 LEU 67 1HD2 LEU 67 -7.997 -0.950 10.545 495 HD23 LEU 67 2HD2 LEU 67 -6.361 -1.497 10.201 496 H LYS 68 H LYS 68 -4.848 -2.528 5.267 497 HA LYS 68 HA LYS 68 -4.525 -5.300 4.955 498 HB2 LYS 68 1HB LYS 68 -3.522 -3.036 3.186 499 HB3 LYS 68 2HB LYS 68 -3.568 -4.729 2.702 500 HG2 LYS 68 1HG LYS 68 -5.972 -2.999 3.379 501 HG3 LYS 68 2HG LYS 68 -5.456 -3.486 1.762 502 HD2 LYS 68 1HD LYS 68 -5.851 -5.867 2.369 503 HD3 LYS 68 2HD LYS 68 -6.402 -5.359 3.968 504 HE2 LYS 68 1HE LYS 68 -8.245 -4.073 2.882 505 HE3 LYS 68 2HE LYS 68 -7.714 -4.685 1.313 506 HZ1 LYS 68 3HZ LYS 68 -8.175 -6.915 2.046 507 HZ2 LYS 68 1HZ LYS 68 -9.557 -5.966 2.255 508 HZ3 LYS 68 2HZ LYS 68 -8.600 -6.377 3.586 509 H LEU 69 H LEU 69 -2.066 -2.738 5.208 510 HA LEU 69 HA LEU 69 0.214 -4.422 5.033 511 HB2 LEU 69 1HB LEU 69 -0.041 -1.659 6.272 512 HB3 LEU 69 2HB LEU 69 1.473 -2.455 5.880 513 HG LEU 69 HG LEU 69 -0.612 -1.521 3.867 514 HD11 LEU 69 1HD1 LEU 69 2.123 -0.364 4.500 515 HD12 LEU 69 2HD1 LEU 69 0.563 0.360 4.898 516 HD13 LEU 69 3HD1 LEU 69 1.041 0.181 3.213 517 HD21 LEU 69 3HD2 LEU 69 1.014 -2.085 2.119 518 HD22 LEU 69 1HD2 LEU 69 0.549 -3.517 3.032 519 HD23 LEU 69 2HD2 LEU 69 2.112 -2.753 3.328 520 H ARG 70 H ARG 70 -1.846 -3.442 7.700 521 HA ARG 70 HA ARG 70 -0.166 -4.055 9.911 522 HB2 ARG 70 1HB ARG 70 -2.153 -2.626 10.122 523 HB3 ARG 70 2HB ARG 70 -3.204 -3.961 9.675 524 HG2 ARG 70 1HG ARG 70 -2.539 -5.134 11.786 525 HG3 ARG 70 2HG ARG 70 -1.575 -3.721 12.229 526 HD2 ARG 70 1HD ARG 70 -4.586 -3.827 11.847 527 HD3 ARG 70 2HD ARG 70 -3.716 -3.610 13.370 528 HE ARG 70 HE ARG 70 -2.920 -1.546 11.674 529 HH11 ARG 70 1HH1 ARG 70 -5.857 -2.544 13.351 530 HH12 ARG 70 2HH1 ARG 70 -6.514 -0.935 13.379 531 HH21 ARG 70 1HH2 ARG 70 -3.782 0.530 11.744 532 HH22 ARG 70 2HH2 ARG 70 -5.324 0.812 12.480 533 H LYS 71 H LYS 71 -2.811 -5.901 8.363 534 HA LYS 71 HA LYS 71 -2.500 -8.225 10.019 535 HB2 LYS 71 1HB LYS 71 -4.125 -7.681 7.506 536 HB3 LYS 71 2HB LYS 71 -4.053 -9.288 8.214 537 HG2 LYS 71 1HG LYS 71 -6.084 -8.229 8.941 538 HG3 LYS 71 2HG LYS 71 -5.012 -8.390 10.329 539 HD2 LYS 71 1HD LYS 71 -4.509 -6.038 10.323 540 HD3 LYS 71 2HD LYS 71 -5.253 -5.819 8.742 541 HE2 LYS 71 1HE LYS 71 -6.662 -4.922 10.549 542 HE3 LYS 71 2HE LYS 71 -7.468 -6.233 9.690 543 HZ1 LYS 71 3HZ LYS 71 -6.898 -7.716 11.491 544 HZ2 LYS 71 1HZ LYS 71 -7.755 -6.379 12.074 545 HZ3 LYS 71 2HZ LYS 71 -6.081 -6.474 12.296 546 H GLU 72 H GLU 72 -1.412 -7.290 6.784 547 HA GLU 72 HA GLU 72 -0.576 -9.961 6.030 548 HB2 GLU 72 1HB GLU 72 -1.594 -8.314 4.417 549 HB3 GLU 72 2HB GLU 72 -0.148 -7.324 4.560 550 HG2 GLU 72 1HG GLU 72 -0.059 -8.633 2.517 551 HG3 GLU 72 2HG GLU 72 1.206 -9.171 3.621 552 H PHE 73 H PHE 73 1.104 -6.840 6.563 553 HA PHE 73 HA PHE 73 3.722 -8.222 6.419 554 HB2 PHE 73 1HB PHE 73 3.041 -5.285 5.971 555 HB3 PHE 73 2HB PHE 73 4.656 -5.981 5.845 556 HD1 PHE 73 HD2 PHE 73 5.005 -7.850 4.061 557 HD2 PHE 73 HD1 PHE 73 1.633 -5.215 4.044 558 HE1 PHE 73 HE2 PHE 73 4.622 -8.343 1.682 559 HE2 PHE 73 HE1 PHE 73 1.256 -5.723 1.661 560 HZ PHE 73 HZ PHE 73 2.753 -7.283 0.477 561 H GLY 74 H GLY 74 1.610 -6.720 8.637 562 HA2 GLY 74 1HA GLY 74 1.855 -6.316 10.911 563 HA3 GLY 74 2HA GLY 74 3.587 -6.587 10.778 564 H VAL 75 H VAL 75 2.925 -4.488 8.347 565 HA VAL 75 HA VAL 75 4.182 -2.282 9.743 566 HB VAL 75 HB VAL 75 3.339 -2.515 6.803 567 HG11 VAL 75 1HG1 VAL 75 5.304 -0.597 8.103 568 HG12 VAL 75 2HG1 VAL 75 3.718 -0.194 7.449 569 HG13 VAL 75 3HG1 VAL 75 5.000 -0.734 6.368 570 HG21 VAL 75 3HG2 VAL 75 4.917 -4.313 7.408 571 HG22 VAL 75 1HG2 VAL 75 6.055 -3.125 8.045 572 HG23 VAL 75 2HG2 VAL 75 5.681 -3.156 6.319 573 H THR 76 H THR 76 2.430 -1.736 11.185 574 HA THR 76 HA THR 76 -0.142 -0.842 10.068 575 HB THR 76 HB THR 76 -0.225 -2.313 12.029 576 HG1 THR 76 HG1 THR 76 -1.015 0.232 12.980 577 HG21 THR 76 3HG2 THR 76 1.225 -0.116 13.555 578 HG22 THR 76 1HG2 THR 76 1.890 -1.703 13.158 579 HG23 THR 76 2HG2 THR 76 0.520 -1.570 14.264 580 H GLY 77 H GLY 77 -1.100 1.209 10.817 581 HA2 GLY 77 1HA GLY 77 -1.112 3.467 11.277 582 HA3 GLY 77 2HA GLY 77 0.560 3.363 11.806 583 H VAL 78 H VAL 78 2.012 4.299 10.536 584 HA VAL 78 HA VAL 78 3.162 5.198 8.822 585 HB VAL 78 HB VAL 78 1.675 3.333 6.915 586 HG11 VAL 78 1HG1 VAL 78 3.844 3.162 5.752 587 HG12 VAL 78 2HG1 VAL 78 4.566 4.273 6.920 588 HG13 VAL 78 3HG1 VAL 78 3.283 4.831 5.844 589 HG21 VAL 78 3HG2 VAL 78 3.256 1.518 7.503 590 HG22 VAL 78 1HG2 VAL 78 2.246 1.977 8.873 591 HG23 VAL 78 2HG2 VAL 78 3.921 2.518 8.797 592 H ASP 79 H ASP 79 0.690 6.425 9.557 593 HA ASP 79 HA ASP 79 -1.277 6.812 7.685 594 HB2 ASP 79 1HB ASP 79 -0.412 8.785 9.844 595 HB3 ASP 79 2HB ASP 79 -1.977 8.780 9.038 596 H ASP 80 H ASP 80 1.327 9.131 8.437 597 HA ASP 80 HA ASP 80 0.660 11.097 6.539 598 HB2 ASP 80 1HB ASP 80 3.359 10.466 7.835 599 HB3 ASP 80 2HB ASP 80 3.034 11.926 6.901 600 H GLU 81 H GLU 81 2.824 8.300 6.345 601 HA GLU 81 HA GLU 81 4.092 9.060 3.894 602 HB2 GLU 81 1HB GLU 81 3.936 6.389 5.325 603 HB3 GLU 81 2HB GLU 81 4.998 6.724 3.960 604 HG2 GLU 81 1HG GLU 81 6.270 8.334 5.252 605 HG3 GLU 81 2HG GLU 81 5.126 8.228 6.595 606 H LEU 82 H LEU 82 1.415 6.886 4.722 607 HA LEU 82 HA LEU 82 1.009 5.836 2.095 608 HB2 LEU 82 1HB LEU 82 -0.923 5.942 4.437 609 HB3 LEU 82 2HB LEU 82 -1.133 4.973 2.991 610 HG LEU 82 HG LEU 82 0.996 4.606 5.130 611 HD11 LEU 82 1HD1 LEU 82 -1.316 2.818 4.328 612 HD12 LEU 82 2HD1 LEU 82 -1.202 3.785 5.800 613 HD13 LEU 82 3HD1 LEU 82 -0.091 2.441 5.545 614 HD21 LEU 82 3HD2 LEU 82 1.792 2.642 3.868 615 HD22 LEU 82 1HD2 LEU 82 2.015 4.133 2.954 616 HD23 LEU 82 2HD2 LEU 82 0.693 3.040 2.547 617 H ASP 83 H ASP 83 -0.022 8.702 3.734 618 HA ASP 83 HA ASP 83 -2.037 9.417 1.735 619 HB2 ASP 83 1HB ASP 83 -2.273 9.913 4.218 620 HB3 ASP 83 2HB ASP 83 -0.968 11.085 4.061 621 H LEU 84 H LEU 84 1.345 9.787 2.175 622 HA LEU 84 HA LEU 84 1.569 12.195 0.470 623 HB2 LEU 84 1HB LEU 84 2.829 11.577 2.808 624 HB3 LEU 84 2HB LEU 84 3.974 10.851 1.712 625 HG LEU 84 HG LEU 84 4.524 13.202 2.561 626 HD11 LEU 84 1HD1 LEU 84 5.423 14.053 0.462 627 HD12 LEU 84 2HD1 LEU 84 4.412 12.929 -0.448 628 HD13 LEU 84 3HD1 LEU 84 5.686 12.317 0.605 629 HD21 LEU 84 3HD2 LEU 84 2.268 14.152 2.447 630 HD22 LEU 84 1HD2 LEU 84 2.310 14.066 0.684 631 HD23 LEU 84 2HD2 LEU 84 3.427 15.124 1.546 632 H LEU 85 H LEU 85 1.017 9.159 -0.283 633 HA LEU 85 HA LEU 85 3.325 8.260 -1.668 634 HB2 LEU 85 1HB LEU 85 0.497 7.294 -1.448 635 HB3 LEU 85 2HB LEU 85 1.523 6.594 -2.692 636 HG LEU 85 HG LEU 85 2.246 6.637 0.267 637 HD11 LEU 85 1HD1 LEU 85 1.688 4.272 0.338 638 HD12 LEU 85 2HD1 LEU 85 1.144 4.333 -1.338 639 HD13 LEU 85 3HD1 LEU 85 0.274 5.233 -0.096 640 HD21 LEU 85 3HD2 LEU 85 3.978 4.991 -0.402 641 HD22 LEU 85 1HD2 LEU 85 4.213 6.555 -1.178 642 HD23 LEU 85 2HD2 LEU 85 3.525 5.209 -2.092 643 H GLU 86 H GLU 86 4.112 8.937 -3.448 644 HA GLU 86 HA GLU 86 2.602 10.517 -5.389 645 HB2 GLU 86 1HB GLU 86 4.804 11.345 -4.575 646 HB3 GLU 86 2HB GLU 86 5.582 9.891 -5.191 647 HG2 GLU 86 1HG GLU 86 4.794 10.571 -7.513 648 HG3 GLU 86 2HG GLU 86 4.292 12.110 -6.818 649 H THR 87 H THR 87 4.813 7.672 -5.359 650 HA THR 87 HA THR 87 3.551 6.637 -7.844 651 HB THR 87 HB THR 87 5.751 5.755 -8.590 652 HG1 THR 87 HG1 THR 87 6.979 7.313 -6.547 653 HG21 THR 87 3HG2 THR 87 6.834 7.881 -9.239 654 HG22 THR 87 1HG2 THR 87 5.865 8.751 -8.046 655 HG23 THR 87 2HG2 THR 87 5.084 7.986 -9.434 656 H VAL 88 H VAL 88 3.683 4.317 -8.122 657 HA VAL 88 HA VAL 88 3.131 2.801 -5.767 658 HB VAL 88 HB VAL 88 3.827 1.709 -8.545 659 HG11 VAL 88 1HG1 VAL 88 3.865 -0.019 -6.782 660 HG12 VAL 88 2HG1 VAL 88 2.520 -0.284 -7.889 661 HG13 VAL 88 3HG1 VAL 88 2.226 0.417 -6.294 662 HG21 VAL 88 3HG2 VAL 88 1.093 2.480 -7.449 663 HG22 VAL 88 1HG2 VAL 88 1.398 1.691 -9.003 664 HG23 VAL 88 2HG2 VAL 88 1.985 3.329 -8.715 665 H ASP 89 H ASP 89 5.951 3.120 -7.892 666 HA ASP 89 HA ASP 89 7.759 1.326 -6.772 667 HB2 ASP 89 1HB ASP 89 8.120 2.620 -8.873 668 HB3 ASP 89 2HB ASP 89 8.335 4.095 -7.935 669 H GLU 90 H GLU 90 6.828 4.574 -5.676 670 HA GLU 90 HA GLU 90 8.758 4.841 -3.611 671 HB2 GLU 90 1HB GLU 90 7.485 6.770 -4.514 672 HB3 GLU 90 2HB GLU 90 6.005 6.133 -3.803 673 HG2 GLU 90 1HG GLU 90 6.918 6.429 -1.542 674 HG3 GLU 90 2HG GLU 90 8.458 6.976 -2.205 675 H LEU 91 H LEU 91 5.428 3.510 -3.668 676 HA LEU 91 HA LEU 91 5.261 2.877 -0.908 677 HB2 LEU 91 1HB LEU 91 3.257 2.889 -2.330 678 HB3 LEU 91 2HB LEU 91 3.870 1.514 -3.238 679 HG LEU 91 HG LEU 91 3.746 0.117 -1.143 680 HD11 LEU 91 1HD1 LEU 91 2.334 2.502 0.091 681 HD12 LEU 91 2HD1 LEU 91 3.911 1.863 0.560 682 HD13 LEU 91 3HD1 LEU 91 2.462 0.890 0.802 683 HD21 LEU 91 3HD2 LEU 91 1.104 1.341 -1.953 684 HD22 LEU 91 1HD2 LEU 91 1.336 -0.214 -1.157 685 HD23 LEU 91 2HD2 LEU 91 1.937 0.037 -2.795 686 H PHE 92 H PHE 92 6.632 1.073 -3.635 687 HA PHE 92 HA PHE 92 7.204 -1.366 -2.343 688 HB2 PHE 92 1HB PHE 92 8.484 0.074 -4.691 689 HB3 PHE 92 2HB PHE 92 9.219 -1.401 -4.069 690 HD1 PHE 92 HD1 PHE 92 7.857 -3.517 -3.968 691 HD2 PHE 92 HD2 PHE 92 6.554 -0.074 -6.142 692 HE1 PHE 92 HE1 PHE 92 6.288 -4.899 -5.239 693 HE2 PHE 92 HE2 PHE 92 5.000 -1.473 -7.412 694 HZ PHE 92 HZ PHE 92 4.855 -3.878 -6.962 695 H GLN 93 H GLN 93 9.269 1.521 -2.750 696 HA GLN 93 HA GLN 93 11.349 0.568 -1.034 697 HB2 GLN 93 1HB GLN 93 10.769 3.356 -2.090 698 HB3 GLN 93 2HB GLN 93 12.210 2.928 -1.170 699 HG2 GLN 93 1HG GLN 93 12.717 1.204 -2.978 700 HG3 GLN 93 2HG GLN 93 11.423 1.943 -3.927 701 HE21 GLN 93 2HE2 GLN 93 13.699 3.707 -1.845 702 HE22 GLN 93 1HE2 GLN 93 14.474 4.553 -3.135 703 H LEU 94 H LEU 94 8.324 2.102 -0.409 704 HA LEU 94 HA LEU 94 8.933 3.322 2.105 705 HB2 LEU 94 1HB LEU 94 7.021 3.959 0.633 706 HB3 LEU 94 2HB LEU 94 6.250 2.423 0.957 707 HG LEU 94 HG LEU 94 6.791 4.437 3.181 708 HD11 LEU 94 1HD1 LEU 94 4.498 5.279 2.895 709 HD12 LEU 94 2HD1 LEU 94 4.299 4.277 1.453 710 HD13 LEU 94 3HD1 LEU 94 5.481 5.588 1.467 711 HD21 LEU 94 3HD2 LEU 94 4.756 2.177 2.969 712 HD22 LEU 94 1HD2 LEU 94 4.914 3.305 4.315 713 HD23 LEU 94 2HD2 LEU 94 6.214 2.181 3.965 714 H VAL 95 H VAL 95 7.132 0.337 1.245 715 HA VAL 95 HA VAL 95 6.960 -0.696 3.878 716 HB VAL 95 HB VAL 95 6.737 -2.228 1.238 717 HG11 VAL 95 1HG1 VAL 95 7.077 -3.774 3.122 718 HG12 VAL 95 2HG1 VAL 95 5.426 -3.909 2.516 719 HG13 VAL 95 3HG1 VAL 95 5.749 -3.022 4.009 720 HG21 VAL 95 3HG2 VAL 95 4.286 -1.907 1.462 721 HG22 VAL 95 1HG2 VAL 95 5.129 -0.360 1.346 722 HG23 VAL 95 2HG2 VAL 95 4.544 -0.930 2.909 723 H GLU 96 H GLU 96 9.364 -0.990 1.326 724 HA GLU 96 HA GLU 96 11.008 -2.995 2.536 725 HB2 GLU 96 1HB GLU 96 10.989 -2.200 0.046 726 HB3 GLU 96 2HB GLU 96 11.998 -0.865 0.580 727 HG2 GLU 96 1HG GLU 96 12.744 -3.800 0.900 728 HG3 GLU 96 2HG GLU 96 13.229 -2.805 -0.467 729 H LYS 97 H LYS 97 10.892 0.565 2.704 730 HA LYS 97 HA LYS 97 13.275 1.006 4.195 731 HB2 LYS 97 1HB LYS 97 12.043 2.797 2.981 732 HB3 LYS 97 2HB LYS 97 10.718 2.667 4.126 733 HG2 LYS 97 1HG LYS 97 12.162 3.515 5.928 734 HG3 LYS 97 2HG LYS 97 13.538 3.571 4.820 735 HD2 LYS 97 1HD LYS 97 12.319 5.227 3.411 736 HD3 LYS 97 2HD LYS 97 10.966 5.185 4.544 737 HE2 LYS 97 1HE LYS 97 12.388 6.114 6.307 738 HE3 LYS 97 2HE LYS 97 13.785 6.083 5.228 739 HZ1 LYS 97 3HZ LYS 97 11.322 7.699 4.838 740 HZ2 LYS 97 1HZ LYS 97 12.638 7.654 3.780 741 HZ3 LYS 97 2HZ LYS 97 12.827 8.288 5.334 742 H HIS 98 H HIS 98 9.938 0.333 5.100 743 HA HIS 98 HA HIS 98 10.307 0.449 7.944 744 HB2 HIS 98 1HB HIS 98 8.075 -0.581 6.151 745 HB3 HIS 98 2HB HIS 98 8.026 -0.834 7.895 746 HD1 HIS 98 HD1 HIS 98 6.865 0.937 9.150 747 HD2 HIS 98 HD2 HIS 98 8.383 2.408 5.576 748 HE1 HIS 98 HE1 HIS 98 6.112 3.316 9.021 749 HE2 HIS 98 HE2 HIS 98 7.071 4.193 6.882 750 H ARG 99 H ARG 99 10.553 -2.075 5.512 751 HA ARG 99 HA ARG 99 10.751 -4.338 7.221 752 HB2 ARG 99 1HB ARG 99 10.274 -4.570 4.820 753 HB3 ARG 99 2HB ARG 99 11.831 -3.861 4.408 754 HG2 ARG 99 1HG ARG 99 12.959 -5.824 5.473 755 HG3 ARG 99 2HG ARG 99 11.373 -6.544 5.761 756 HD2 ARG 99 1HD ARG 99 10.958 -6.700 3.363 757 HD3 ARG 99 2HD ARG 99 12.450 -5.817 3.011 758 HE ARG 99 HE ARG 99 13.236 -7.982 4.500 759 HH11 ARG 99 1HH1 ARG 99 11.552 -7.621 1.428 760 HH12 ARG 99 2HH1 ARG 99 12.167 -9.114 0.795 761 HH21 ARG 99 1HH2 ARG 99 14.035 -9.912 3.635 762 HH22 ARG 99 2HH2 ARG 99 13.572 -10.403 2.039 763 H ALA 100 H ALA 100 13.157 -2.176 5.783 764 HA ALA 100 HA ALA 100 15.491 -3.392 6.893 765 HB1 ALA 100 3HB ALA 100 16.659 -1.401 6.022 766 HB2 ALA 100 1HB ALA 100 15.108 -0.612 5.711 767 HB3 ALA 100 2HB ALA 100 15.559 -2.063 4.812 768 H ALA 101 H ALA 101 13.239 -0.889 7.906 769 HA ALA 101 HA ALA 101 14.732 0.087 10.158 770 HB1 ALA 101 3HB ALA 101 12.988 1.442 9.062 771 HB2 ALA 101 1HB ALA 101 12.656 1.231 10.782 772 HB3 ALA 101 2HB ALA 101 11.753 0.296 9.586 773 H GLY 102 H GLY 102 12.834 -2.724 9.563 774 HA2 GLY 102 1HA GLY 102 12.124 -3.339 12.296 775 HA3 GLY 102 2HA GLY 102 11.992 -4.399 10.901 776 H SER 103 H SER 103 14.562 -2.829 12.807 777 HA SER 103 HA SER 103 16.264 -5.237 12.594 778 HB2 SER 103 1HB SER 103 17.020 -2.344 13.272 779 HB3 SER 103 2HB SER 103 18.146 -3.689 13.076 780 HG SER 103 HG SER 103 16.466 -2.536 11.089 Start of MODEL 16 1 H1 MET 1 1H MET 1 -55.474 -20.738 -39.218 2 H2 MET 1 2H MET 1 -54.138 -20.241 -40.126 3 H3 MET 1 3H MET 1 -54.498 -19.474 -38.670 4 HA MET 1 HA MET 1 -54.051 -21.482 -37.444 5 HB2 MET 1 1HB MET 1 -53.205 -22.561 -40.180 6 HB3 MET 1 2HB MET 1 -52.938 -23.387 -38.646 7 HG2 MET 1 1HG MET 1 -54.828 -24.371 -39.785 8 HG3 MET 1 2HG MET 1 -55.392 -23.548 -38.332 9 HE1 MET 1 3HE MET 1 -58.374 -23.075 -40.886 10 HE2 MET 1 1HE MET 1 -57.933 -23.627 -39.269 11 HE3 MET 1 2HE MET 1 -57.336 -24.484 -40.691 12 H GLY 2 H GLY 2 -52.042 -21.530 -36.468 13 HA2 GLY 2 1HA GLY 2 -49.572 -20.819 -37.713 14 HA3 GLY 2 2HA GLY 2 -50.228 -19.466 -36.794 15 H SER 3 H SER 3 -47.787 -20.997 -36.269 16 HA SER 3 HA SER 3 -48.336 -21.882 -33.511 17 HB2 SER 3 1HB SER 3 -46.739 -23.830 -33.891 18 HB3 SER 3 2HB SER 3 -48.264 -23.963 -34.766 19 HG SER 3 HG SER 3 -47.215 -23.280 -36.628 20 H SER 4 H SER 4 -46.381 -21.966 -32.176 21 HA SER 4 HA SER 4 -44.397 -19.903 -32.932 22 HB2 SER 4 1HB SER 4 -45.926 -19.268 -31.044 23 HB3 SER 4 2HB SER 4 -45.372 -20.661 -30.141 24 HG SER 4 HG SER 4 -43.327 -19.099 -31.081 25 H HIS 5 H HIS 5 -43.203 -21.614 -33.968 26 HA HIS 5 HA HIS 5 -41.713 -23.428 -32.166 27 HB2 HIS 5 1HB HIS 5 -41.801 -23.290 -35.217 28 HB3 HIS 5 2HB HIS 5 -40.823 -24.433 -34.293 29 HD1 HIS 5 HD1 HIS 5 -43.818 -24.437 -36.094 30 HD2 HIS 5 HD2 HIS 5 -42.781 -25.856 -32.347 31 HE1 HIS 5 HE1 HIS 5 -45.545 -26.147 -35.526 32 HE2 HIS 5 HE2 HIS 5 -44.996 -26.860 -33.180 33 H ASP 6 H ASP 6 -41.177 -21.092 -34.790 34 HA ASP 6 HA ASP 6 -39.781 -19.392 -35.145 35 HB2 ASP 6 1HB ASP 6 -39.170 -19.676 -32.172 36 HB3 ASP 6 2HB ASP 6 -38.487 -18.397 -33.178 37 H HIS 7 H HIS 7 -37.789 -19.023 -35.934 38 HA HIS 7 HA HIS 7 -35.616 -20.979 -35.416 39 HB2 HIS 7 1HB HIS 7 -36.184 -19.292 -37.893 40 HB3 HIS 7 2HB HIS 7 -34.757 -20.305 -37.687 41 HD1 HIS 7 HD1 HIS 7 -37.885 -20.394 -39.324 42 HD2 HIS 7 HD2 HIS 7 -35.749 -23.167 -37.076 43 HE1 HIS 7 HE1 HIS 7 -38.817 -22.639 -39.943 44 HE2 HIS 7 HE2 HIS 7 -37.563 -24.290 -38.524 45 H HIS 8 H HIS 8 -36.587 -18.193 -34.288 46 HA HIS 8 HA HIS 8 -34.418 -16.368 -34.695 47 HB2 HIS 8 1HB HIS 8 -36.733 -15.642 -34.206 48 HB3 HIS 8 2HB HIS 8 -36.663 -16.412 -32.629 49 HD1 HIS 8 HD1 HIS 8 -35.559 -13.343 -34.469 50 HD2 HIS 8 HD2 HIS 8 -35.237 -14.966 -30.658 51 HE1 HIS 8 HE1 HIS 8 -34.828 -11.458 -32.992 52 HE2 HIS 8 HE2 HIS 8 -34.852 -12.413 -30.668 53 H HIS 9 H HIS 9 -32.470 -17.264 -34.080 54 HA HIS 9 HA HIS 9 -31.858 -17.259 -31.248 55 HB2 HIS 9 1HB HIS 9 -32.539 -19.613 -31.466 56 HB3 HIS 9 2HB HIS 9 -31.497 -19.826 -32.869 57 HD1 HIS 9 HD1 HIS 9 -31.206 -19.088 -29.148 58 HD2 HIS 9 HD2 HIS 9 -28.957 -20.705 -32.255 59 HE1 HIS 9 HE1 HIS 9 -29.101 -19.964 -28.085 60 HE2 HIS 9 HE2 HIS 9 -27.834 -21.060 -29.964 61 H HIS 10 H HIS 10 -30.141 -15.993 -31.207 62 HA HIS 10 HA HIS 10 -28.055 -16.082 -33.284 63 HB2 HIS 10 1HB HIS 10 -28.883 -13.850 -32.742 64 HB3 HIS 10 2HB HIS 10 -28.609 -14.104 -31.024 65 HD1 HIS 10 HD1 HIS 10 -26.627 -13.739 -34.244 66 HD2 HIS 10 HD2 HIS 10 -26.108 -13.352 -30.145 67 HE1 HIS 10 HE1 HIS 10 -24.332 -12.780 -33.945 68 HE2 HIS 10 HE2 HIS 10 -23.966 -12.812 -31.457 69 H SER 11 H SER 11 -25.900 -16.599 -32.766 70 HA SER 11 HA SER 11 -25.210 -17.275 -29.970 71 HB2 SER 11 1HB SER 11 -25.671 -19.401 -31.205 72 HB3 SER 11 2HB SER 11 -24.443 -18.964 -32.390 73 HG SER 11 HG SER 11 -23.196 -20.047 -31.066 74 H SER 12 H SER 12 -22.807 -17.444 -29.728 75 HA SER 12 HA SER 12 -21.114 -15.953 -31.549 76 HB2 SER 12 1HB SER 12 -22.269 -14.170 -30.159 77 HB3 SER 12 2HB SER 12 -21.573 -14.897 -28.711 78 HG SER 12 HG SER 12 -19.991 -13.565 -29.143 79 H GLY 13 H GLY 13 -18.835 -15.799 -30.450 80 HA2 GLY 13 1HA GLY 13 -18.041 -17.461 -28.350 81 HA3 GLY 13 2HA GLY 13 -17.979 -18.430 -29.818 82 H ARG 14 H ARG 14 -16.057 -16.816 -27.848 83 HA ARG 14 HA ARG 14 -14.242 -15.814 -29.973 84 HB2 ARG 14 1HB ARG 14 -14.499 -14.818 -27.103 85 HB3 ARG 14 2HB ARG 14 -13.320 -14.243 -28.278 86 HG2 ARG 14 1HG ARG 14 -15.134 -13.340 -29.681 87 HG3 ARG 14 2HG ARG 14 -16.336 -13.942 -28.537 88 HD2 ARG 14 1HD ARG 14 -15.959 -11.543 -28.191 89 HD3 ARG 14 2HD ARG 14 -15.390 -12.453 -26.784 90 HE ARG 14 HE ARG 14 -13.335 -11.959 -28.739 91 HH11 ARG 14 1HH1 ARG 14 -14.929 -10.527 -25.940 92 HH12 ARG 14 2HH1 ARG 14 -13.606 -9.460 -25.605 93 HH21 ARG 14 1HH2 ARG 14 -11.632 -10.552 -28.268 94 HH22 ARG 14 2HH2 ARG 14 -11.742 -9.479 -26.912 95 H GLU 15 H GLU 15 -12.039 -16.187 -29.707 96 HA GLU 15 HA GLU 15 -11.170 -18.589 -28.428 97 HB2 GLU 15 1HB GLU 15 -10.096 -17.716 -30.485 98 HB3 GLU 15 2HB GLU 15 -9.590 -16.264 -29.632 99 HG2 GLU 15 1HG GLU 15 -8.204 -17.763 -28.110 100 HG3 GLU 15 2HG GLU 15 -8.580 -19.096 -29.202 101 H ASN 16 H ASN 16 -10.891 -18.740 -26.236 102 HA ASN 16 HA ASN 16 -10.370 -16.324 -24.637 103 HB2 ASN 16 1HB ASN 16 -11.020 -17.640 -22.684 104 HB3 ASN 16 2HB ASN 16 -12.245 -17.794 -23.931 105 HD21 ASN 16 2HD2 ASN 16 -12.446 -19.795 -25.029 106 HD22 ASN 16 1HD2 ASN 16 -11.822 -21.258 -24.362 107 H LEU 17 H LEU 17 -8.417 -15.872 -23.832 108 HA LEU 17 HA LEU 17 -6.330 -17.988 -23.685 109 HB2 LEU 17 1HB LEU 17 -5.962 -15.026 -24.323 110 HB3 LEU 17 2HB LEU 17 -4.650 -16.171 -24.089 111 HG LEU 17 HG LEU 17 -6.689 -16.256 -26.352 112 HD11 LEU 17 1HD1 LEU 17 -3.744 -15.529 -26.437 113 HD12 LEU 17 2HD1 LEU 17 -5.100 -14.415 -26.630 114 HD13 LEU 17 3HD1 LEU 17 -4.818 -15.672 -27.832 115 HD21 LEU 17 3HD2 LEU 17 -5.324 -18.080 -27.304 116 HD22 LEU 17 1HD2 LEU 17 -6.011 -18.530 -25.745 117 HD23 LEU 17 2HD2 LEU 17 -4.307 -18.080 -25.861 118 H TYR 18 H TYR 18 -6.331 -18.528 -21.606 119 HA TYR 18 HA TYR 18 -6.001 -16.435 -19.524 120 HB2 TYR 18 1HB TYR 18 -7.345 -19.169 -19.293 121 HB3 TYR 18 2HB TYR 18 -6.960 -18.144 -17.915 122 HD1 TYR 18 HD2 TYR 18 -8.056 -15.806 -17.799 123 HD2 TYR 18 HD1 TYR 18 -9.409 -18.853 -20.478 124 HE1 TYR 18 HE2 TYR 18 -10.204 -14.645 -18.042 125 HE2 TYR 18 HE1 TYR 18 -11.553 -17.678 -20.719 126 HH TYR 18 HH TYR 18 -12.061 -14.517 -19.692 127 H PHE 19 H PHE 19 -4.233 -16.627 -18.233 128 HA PHE 19 HA PHE 19 -2.087 -18.361 -18.932 129 HB2 PHE 19 1HB PHE 19 -0.893 -17.312 -16.983 130 HB3 PHE 19 2HB PHE 19 -1.548 -16.153 -18.122 131 HD1 PHE 19 HD2 PHE 19 -3.545 -14.753 -17.475 132 HD2 PHE 19 HD1 PHE 19 -1.615 -17.327 -14.658 133 HE1 PHE 19 HE2 PHE 19 -4.644 -13.564 -15.623 134 HE2 PHE 19 HE1 PHE 19 -2.712 -16.133 -12.820 135 HZ PHE 19 HZ PHE 19 -4.235 -14.258 -13.292 136 H GLN 20 H GLN 20 -2.080 -20.466 -18.500 137 HA GLN 20 HA GLN 20 -3.524 -21.630 -16.240 138 HB2 GLN 20 1HB GLN 20 -1.908 -23.009 -18.443 139 HB3 GLN 20 2HB GLN 20 -2.986 -23.795 -17.292 140 HG2 GLN 20 1HG GLN 20 -4.917 -22.633 -18.283 141 HG3 GLN 20 2HG GLN 20 -3.848 -21.809 -19.419 142 HE21 GLN 20 2HE2 GLN 20 -6.086 -23.552 -20.011 143 HE22 GLN 20 1HE2 GLN 20 -5.466 -24.858 -20.952 144 H GLY 21 H GLY 21 -2.383 -21.196 -14.386 145 HA2 GLY 21 1HA GLY 21 -0.899 -22.136 -12.784 146 HA3 GLY 21 2HA GLY 21 0.250 -22.520 -14.058 147 H HIS 22 H HIS 22 -0.622 -20.305 -11.658 148 HA HIS 22 HA HIS 22 1.838 -18.869 -11.889 149 HB2 HIS 22 1HB HIS 22 0.445 -17.561 -13.524 150 HB3 HIS 22 2HB HIS 22 -0.739 -17.245 -12.264 151 HD1 HIS 22 HD1 HIS 22 2.587 -16.176 -13.528 152 HD2 HIS 22 HD2 HIS 22 0.100 -15.313 -10.308 153 HE1 HIS 22 HE1 HIS 22 3.490 -14.061 -12.521 154 HE2 HIS 22 HE2 HIS 22 1.951 -13.541 -10.606 155 H MET 23 H MET 23 2.281 -19.448 -9.816 156 HA MET 23 HA MET 23 0.431 -19.283 -7.618 157 HB2 MET 23 1HB MET 23 2.201 -20.970 -7.624 158 HB3 MET 23 2HB MET 23 3.443 -19.729 -7.737 159 HG2 MET 23 1HG MET 23 3.335 -20.650 -5.485 160 HG3 MET 23 2HG MET 23 2.877 -18.946 -5.474 161 HE1 MET 23 3HE MET 23 2.286 -21.182 -3.104 162 HE2 MET 23 1HE MET 23 0.691 -20.617 -2.618 163 HE3 MET 23 2HE MET 23 1.967 -19.450 -2.961 164 HA PRO 24 HA PRO 24 1.525 -14.850 -7.109 165 HB2 PRO 24 1HB PRO 24 -0.755 -14.014 -5.941 166 HB3 PRO 24 2HB PRO 24 -0.720 -14.466 -7.650 167 HG2 PRO 24 1HG PRO 24 -1.793 -15.994 -5.310 168 HG3 PRO 24 2HG PRO 24 -2.388 -15.929 -6.979 169 HD2 PRO 24 1HD PRO 24 -0.749 -17.963 -5.853 170 HD3 PRO 24 2HD PRO 24 -1.114 -17.741 -7.576 171 H ASN 25 H ASN 25 3.245 -15.493 -5.666 172 HA ASN 25 HA ASN 25 2.699 -15.113 -2.787 173 HB2 ASN 25 1HB ASN 25 2.793 -17.566 -3.229 174 HB3 ASN 25 2HB ASN 25 4.375 -17.374 -3.979 175 HD21 ASN 25 2HD2 ASN 25 5.389 -18.756 -2.532 176 HD22 ASN 25 1HD2 ASN 25 5.659 -18.354 -0.876 177 H ASP 26 H ASP 26 3.553 -12.998 -3.098 178 HA ASP 26 HA ASP 26 6.411 -12.702 -2.955 179 HB2 ASP 26 1HB ASP 26 6.150 -13.008 -5.410 180 HB3 ASP 26 2HB ASP 26 4.962 -11.711 -5.464 181 H MET 27 H MET 27 7.015 -10.556 -2.324 182 HA MET 27 HA MET 27 5.251 -9.157 -0.659 183 HB2 MET 27 1HB MET 27 7.654 -8.977 -0.311 184 HB3 MET 27 2HB MET 27 7.889 -8.290 -1.913 185 HG2 MET 27 1HG MET 27 6.577 -6.282 -1.188 186 HG3 MET 27 2HG MET 27 6.534 -6.957 0.443 187 HE1 MET 27 3HE MET 27 9.110 -3.929 0.525 188 HE2 MET 27 1HE MET 27 7.581 -4.515 1.173 189 HE3 MET 27 2HE MET 27 7.699 -4.039 -0.525 190 H GLU 28 H GLU 28 6.505 -8.246 -3.871 191 HA GLU 28 HA GLU 28 5.071 -5.836 -4.189 192 HB2 GLU 28 1HB GLU 28 7.110 -6.376 -5.458 193 HB3 GLU 28 2HB GLU 28 6.307 -7.707 -6.261 194 HG2 GLU 28 1HG GLU 28 5.429 -4.828 -6.630 195 HG3 GLU 28 2HG GLU 28 6.685 -5.564 -7.614 196 H ASP 29 H ASP 29 4.320 -9.201 -5.117 197 HA ASP 29 HA ASP 29 1.954 -8.778 -6.577 198 HB2 ASP 29 1HB ASP 29 2.987 -10.976 -6.603 199 HB3 ASP 29 2HB ASP 29 2.822 -11.140 -4.858 200 H HIS 30 H HIS 30 2.376 -9.420 -3.083 201 HA HIS 30 HA HIS 30 -0.379 -9.344 -2.400 202 HB2 HIS 30 1HB HIS 30 2.159 -9.219 -0.751 203 HB3 HIS 30 2HB HIS 30 0.594 -8.935 0.012 204 HD1 HIS 30 HD1 HIS 30 -0.794 -10.935 0.568 205 HD2 HIS 30 HD2 HIS 30 2.428 -11.918 -1.846 206 HE1 HIS 30 HE1 HIS 30 -0.716 -13.429 0.547 207 HE2 HIS 30 HE2 HIS 30 1.380 -13.978 -0.719 208 H LEU 31 H LEU 31 2.121 -6.877 -2.530 209 HA LEU 31 HA LEU 31 0.610 -4.785 -1.291 210 HB2 LEU 31 1HB LEU 31 3.185 -5.028 -1.628 211 HB3 LEU 31 2HB LEU 31 2.917 -4.367 -3.227 212 HG LEU 31 HG LEU 31 2.105 -2.874 -0.695 213 HD11 LEU 31 1HD1 LEU 31 4.508 -3.305 -0.539 214 HD12 LEU 31 2HD1 LEU 31 4.212 -1.598 -0.856 215 HD13 LEU 31 3HD1 LEU 31 4.757 -2.654 -2.162 216 HD21 LEU 31 3HD2 LEU 31 1.051 -2.046 -2.753 217 HD22 LEU 31 1HD2 LEU 31 2.637 -1.866 -3.511 218 HD23 LEU 31 2HD2 LEU 31 2.200 -0.875 -2.119 219 H LEU 32 H LEU 32 1.074 -5.913 -4.598 220 HA LEU 32 HA LEU 32 -0.322 -3.811 -5.940 221 HB2 LEU 32 1HB LEU 32 1.433 -5.476 -6.889 222 HB3 LEU 32 2HB LEU 32 0.115 -6.630 -7.003 223 HG LEU 32 HG LEU 32 -1.091 -4.983 -8.520 224 HD11 LEU 32 1HD1 LEU 32 1.564 -3.504 -8.464 225 HD12 LEU 32 2HD1 LEU 32 0.027 -2.922 -7.821 226 HD13 LEU 32 3HD1 LEU 32 0.213 -3.165 -9.554 227 HD21 LEU 32 3HD2 LEU 32 0.262 -5.475 -10.523 228 HD22 LEU 32 1HD2 LEU 32 0.138 -6.890 -9.478 229 HD23 LEU 32 2HD2 LEU 32 1.629 -5.943 -9.505 230 H THR 33 H THR 33 -1.217 -6.847 -4.470 231 HA THR 33 HA THR 33 -3.923 -7.038 -5.391 232 HB THR 33 HB THR 33 -2.498 -8.291 -2.999 233 HG1 THR 33 HG1 THR 33 -1.879 -8.885 -5.195 234 HG21 THR 33 3HG2 THR 33 -5.272 -8.955 -4.080 235 HG22 THR 33 1HG2 THR 33 -4.910 -8.276 -2.492 236 HG23 THR 33 2HG2 THR 33 -4.392 -9.914 -2.889 237 H VAL 34 H VAL 34 -2.354 -5.768 -2.454 238 HA VAL 34 HA VAL 34 -4.558 -4.824 -1.032 239 HB VAL 34 HB VAL 34 -1.695 -3.778 -1.228 240 HG11 VAL 34 1HG1 VAL 34 -2.114 -2.397 0.802 241 HG12 VAL 34 2HG1 VAL 34 -3.839 -2.751 0.660 242 HG13 VAL 34 3HG1 VAL 34 -3.019 -1.839 -0.605 243 HG21 VAL 34 3HG2 VAL 34 -1.417 -4.786 1.004 244 HG22 VAL 34 1HG2 VAL 34 -1.977 -5.984 -0.162 245 HG23 VAL 34 2HG2 VAL 34 -3.108 -5.294 1.004 246 H LEU 35 H LEU 35 -2.625 -3.230 -3.542 247 HA LEU 35 HA LEU 35 -4.027 -0.799 -3.725 248 HB2 LEU 35 1HB LEU 35 -2.409 -2.318 -5.806 249 HB3 LEU 35 2HB LEU 35 -2.976 -0.667 -6.024 250 HG LEU 35 HG LEU 35 -1.055 -1.545 -3.829 251 HD11 LEU 35 1HD1 LEU 35 -0.416 -0.110 -6.424 252 HD12 LEU 35 2HD1 LEU 35 0.021 -1.770 -6.016 253 HD13 LEU 35 3HD1 LEU 35 0.720 -0.430 -5.108 254 HD21 LEU 35 3HD2 LEU 35 -1.939 1.238 -4.672 255 HD22 LEU 35 1HD2 LEU 35 -0.697 0.869 -3.472 256 HD23 LEU 35 2HD2 LEU 35 -2.368 0.411 -3.172 257 H SER 36 H SER 36 -4.470 -3.899 -5.411 258 HA SER 36 HA SER 36 -6.391 -3.070 -7.313 259 HB2 SER 36 1HB SER 36 -5.029 -5.132 -7.545 260 HB3 SER 36 2HB SER 36 -5.907 -5.866 -6.208 261 HG SER 36 HG SER 36 -7.524 -4.890 -8.218 262 H VAL 37 H VAL 37 -6.703 -4.299 -4.049 263 HA VAL 37 HA VAL 37 -9.586 -4.538 -4.096 264 HB VAL 37 HB VAL 37 -7.601 -4.689 -1.767 265 HG11 VAL 37 1HG1 VAL 37 -10.558 -5.419 -1.788 266 HG12 VAL 37 2HG1 VAL 37 -9.814 -4.079 -0.913 267 HG13 VAL 37 3HG1 VAL 37 -9.434 -5.740 -0.462 268 HG21 VAL 37 3HG2 VAL 37 -7.944 -7.141 -1.902 269 HG22 VAL 37 1HG2 VAL 37 -7.289 -6.501 -3.409 270 HG23 VAL 37 2HG2 VAL 37 -8.998 -6.926 -3.300 271 H ALA 38 H ALA 38 -7.182 -2.182 -3.011 272 HA ALA 38 HA ALA 38 -8.990 -0.474 -1.556 273 HB1 ALA 38 3HB ALA 38 -7.063 1.030 -1.342 274 HB2 ALA 38 1HB ALA 38 -6.176 0.085 -2.541 275 HB3 ALA 38 2HB ALA 38 -6.593 -0.633 -0.985 276 H SER 39 H SER 39 -7.939 -0.674 -4.882 277 HA SER 39 HA SER 39 -9.016 1.960 -5.606 278 HB2 SER 39 1HB SER 39 -7.984 1.508 -7.818 279 HB3 SER 39 2HB SER 39 -6.808 1.315 -6.518 280 HG SER 39 HG SER 39 -6.518 -0.637 -7.206 281 H GLY 40 H GLY 40 -9.481 -1.495 -6.180 282 HA2 GLY 40 1HA GLY 40 -11.511 -2.569 -6.716 283 HA3 GLY 40 2HA GLY 40 -12.148 -1.053 -7.343 284 H VAL 41 H VAL 41 -9.260 -0.893 -8.704 285 HA VAL 41 HA VAL 41 -10.159 -2.051 -11.215 286 HB VAL 41 HB VAL 41 -8.390 -0.797 -12.277 287 HG11 VAL 41 1HG1 VAL 41 -9.689 0.960 -10.177 288 HG12 VAL 41 2HG1 VAL 41 -10.406 0.471 -11.713 289 HG13 VAL 41 3HG1 VAL 41 -8.980 1.509 -11.702 290 HG21 VAL 41 3HG2 VAL 41 -6.539 -1.119 -10.713 291 HG22 VAL 41 1HG2 VAL 41 -7.324 -0.069 -9.532 292 HG23 VAL 41 2HG2 VAL 41 -6.744 0.598 -11.058 293 HA PRO 42 HA PRO 42 -7.672 -5.831 -11.115 294 HB2 PRO 42 1HB PRO 42 -6.978 -5.050 -13.960 295 HB3 PRO 42 2HB PRO 42 -7.523 -6.612 -13.324 296 HG2 PRO 42 1HG PRO 42 -9.248 -5.044 -14.614 297 HG3 PRO 42 2HG PRO 42 -9.763 -5.906 -13.146 298 HD2 PRO 42 1HD PRO 42 -9.055 -2.997 -13.487 299 HD3 PRO 42 2HD PRO 42 -10.318 -3.741 -12.483 300 H LYS 43 H LYS 43 -5.483 -6.558 -11.084 301 HA LYS 43 HA LYS 43 -3.501 -4.677 -10.311 302 HB2 LYS 43 1HB LYS 43 -3.172 -7.592 -11.133 303 HB3 LYS 43 2HB LYS 43 -1.937 -6.630 -10.330 304 HG2 LYS 43 1HG LYS 43 -3.469 -6.388 -8.358 305 HG3 LYS 43 2HG LYS 43 -4.613 -7.461 -9.164 306 HD2 LYS 43 1HD LYS 43 -1.789 -8.187 -8.264 307 HD3 LYS 43 2HD LYS 43 -3.296 -8.710 -7.508 308 HE2 LYS 43 1HE LYS 43 -3.893 -9.932 -9.594 309 HE3 LYS 43 2HE LYS 43 -2.350 -9.459 -10.307 310 HZ1 LYS 43 3HZ LYS 43 -2.754 -11.173 -7.915 311 HZ2 LYS 43 1HZ LYS 43 -1.242 -10.638 -8.452 312 HZ3 LYS 43 2HZ LYS 43 -2.174 -11.663 -9.420 313 H GLU 44 H GLU 44 -4.344 -6.083 -13.386 314 HA GLU 44 HA GLU 44 -1.995 -5.503 -14.876 315 HB2 GLU 44 1HB GLU 44 -4.880 -5.754 -15.828 316 HB3 GLU 44 2HB GLU 44 -3.462 -5.779 -16.876 317 HG2 GLU 44 1HG GLU 44 -2.690 -7.865 -15.790 318 HG3 GLU 44 2HG GLU 44 -4.093 -7.825 -14.724 319 H GLU 45 H GLU 45 -4.815 -3.593 -14.006 320 HA GLU 45 HA GLU 45 -4.311 -1.335 -15.698 321 HB2 GLU 45 1HB GLU 45 -5.959 -1.597 -13.139 322 HB3 GLU 45 2HB GLU 45 -5.974 -0.179 -14.181 323 HG2 GLU 45 1HG GLU 45 -6.790 -2.951 -15.115 324 HG3 GLU 45 2HG GLU 45 -7.917 -1.767 -14.462 325 H ILE 46 H ILE 46 -3.184 -2.391 -12.577 326 HA ILE 46 HA ILE 46 -2.180 0.234 -11.762 327 HB ILE 46 HB ILE 46 -1.876 -2.410 -10.268 328 HG12 ILE 46 1HG1 ILE 46 -4.132 -0.356 -10.013 329 HG13 ILE 46 2HG1 ILE 46 -4.287 -1.943 -10.753 330 HG21 ILE 46 1HG2 ILE 46 -1.607 -0.941 -8.268 331 HG22 ILE 46 2HG2 ILE 46 -1.755 0.488 -9.296 332 HG23 ILE 46 3HG2 ILE 46 -0.380 -0.599 -9.489 333 HD11 ILE 46 3HD1 ILE 46 -5.207 -1.934 -8.550 334 HD12 ILE 46 1HD1 ILE 46 -3.681 -1.377 -7.869 335 HD13 ILE 46 2HD1 ILE 46 -3.790 -2.981 -8.601 336 H SER 47 H SER 47 -0.476 0.628 -13.193 337 HA SER 47 HA SER 47 1.885 -1.051 -13.289 338 HB2 SER 47 1HB SER 47 1.476 1.878 -14.062 339 HB3 SER 47 2HB SER 47 2.895 0.903 -14.461 340 HG SER 47 HG SER 47 1.803 -0.071 -15.994 341 H ARG 48 H ARG 48 3.947 -0.408 -12.326 342 HA ARG 48 HA ARG 48 3.749 0.442 -9.592 343 HB2 ARG 48 1HB ARG 48 6.214 -0.035 -11.334 344 HB3 ARG 48 2HB ARG 48 6.299 0.377 -9.628 345 HG2 ARG 48 1HG ARG 48 6.624 -1.984 -9.783 346 HG3 ARG 48 2HG ARG 48 5.004 -1.749 -9.130 347 HD2 ARG 48 1HD ARG 48 4.041 -2.173 -11.359 348 HD3 ARG 48 2HD ARG 48 5.662 -2.379 -12.030 349 HE ARG 48 HE ARG 48 4.279 -4.202 -10.160 350 HH11 ARG 48 1HH1 ARG 48 7.098 -3.625 -12.184 351 HH12 ARG 48 2HH1 ARG 48 7.500 -5.303 -12.298 352 HH21 ARG 48 1HH2 ARG 48 4.805 -6.401 -10.378 353 HH22 ARG 48 2HH2 ARG 48 6.196 -6.871 -11.307 354 H ASP 49 H ASP 49 4.622 2.005 -12.618 355 HA ASP 49 HA ASP 49 4.979 4.599 -11.297 356 HB2 ASP 49 1HB ASP 49 6.439 4.050 -13.225 357 HB3 ASP 49 2HB ASP 49 5.022 3.849 -14.260 358 H SER 50 H SER 50 2.874 4.697 -10.359 359 HA SER 50 HA SER 50 0.918 5.943 -12.175 360 HB2 SER 50 1HB SER 50 0.037 3.659 -11.819 361 HB3 SER 50 2HB SER 50 0.210 3.835 -10.073 362 HG SER 50 HG SER 50 -1.902 4.380 -11.423 363 H ARG 51 H ARG 51 -0.175 7.658 -11.226 364 HA ARG 51 HA ARG 51 1.117 8.864 -8.895 365 HB2 ARG 51 1HB ARG 51 -0.964 9.964 -10.843 366 HB3 ARG 51 2HB ARG 51 -0.146 10.906 -9.600 367 HG2 ARG 51 1HG ARG 51 1.218 9.542 -11.943 368 HG3 ARG 51 2HG ARG 51 0.823 11.259 -11.855 369 HD2 ARG 51 1HD ARG 51 2.347 11.518 -9.936 370 HD3 ARG 51 2HD ARG 51 2.704 9.787 -9.976 371 HE ARG 51 HE ARG 51 3.395 10.495 -12.456 372 HH11 ARG 51 1HH1 ARG 51 4.214 12.014 -9.391 373 HH12 ARG 51 2HH1 ARG 51 5.748 12.584 -9.957 374 HH21 ARG 51 1HH2 ARG 51 5.411 11.254 -13.165 375 HH22 ARG 51 2HH2 ARG 51 6.418 12.167 -12.086 376 H MET 52 H MET 52 -1.026 6.593 -8.794 377 HA MET 52 HA MET 52 -2.595 5.848 -7.365 378 HB2 MET 52 1HB MET 52 -1.609 8.191 -5.697 379 HB3 MET 52 2HB MET 52 -2.757 7.005 -5.089 380 HG2 MET 52 1HG MET 52 -1.087 5.227 -5.461 381 HG3 MET 52 2HG MET 52 0.077 6.452 -5.986 382 HE1 MET 52 3HE MET 52 1.489 5.046 -4.119 383 HE2 MET 52 1HE MET 52 0.109 4.202 -3.427 384 HE3 MET 52 2HE MET 52 1.176 5.146 -2.387 385 H GLU 53 H GLU 53 -3.350 7.709 -9.449 386 HA GLU 53 HA GLU 53 -4.733 9.929 -9.117 387 HB2 GLU 53 1HB GLU 53 -4.380 8.739 -11.282 388 HB3 GLU 53 2HB GLU 53 -5.704 7.652 -10.885 389 HG2 GLU 53 1HG GLU 53 -6.494 9.298 -12.451 390 HG3 GLU 53 2HG GLU 53 -7.268 9.590 -10.894 391 H ASP 54 H ASP 54 -6.516 6.849 -9.057 392 HA ASP 54 HA ASP 54 -8.245 7.871 -6.868 393 HB2 ASP 54 1HB ASP 54 -9.455 7.945 -9.075 394 HB3 ASP 54 2HB ASP 54 -9.120 6.235 -9.308 395 H LEU 55 H LEU 55 -5.786 5.974 -7.420 396 HA LEU 55 HA LEU 55 -6.726 3.344 -6.660 397 HB2 LEU 55 1HB LEU 55 -3.872 4.298 -7.086 398 HB3 LEU 55 2HB LEU 55 -4.377 2.633 -6.843 399 HG LEU 55 HG LEU 55 -5.877 3.120 -9.023 400 HD11 LEU 55 1HD1 LEU 55 -4.753 4.560 -10.662 401 HD12 LEU 55 2HD1 LEU 55 -3.577 5.055 -9.437 402 HD13 LEU 55 3HD1 LEU 55 -5.280 5.479 -9.252 403 HD21 LEU 55 3HD2 LEU 55 -2.920 2.484 -9.151 404 HD22 LEU 55 1HD2 LEU 55 -4.105 2.162 -10.424 405 HD23 LEU 55 2HD2 LEU 55 -4.241 1.345 -8.869 406 H ALA 56 H ALA 56 -4.771 5.934 -5.164 407 HA ALA 56 HA ALA 56 -5.350 4.893 -2.496 408 HB1 ALA 56 3HB ALA 56 -3.291 3.666 -3.118 409 HB2 ALA 56 1HB ALA 56 -3.011 4.761 -1.762 410 HB3 ALA 56 2HB ALA 56 -2.456 5.195 -3.381 411 H PHE 57 H PHE 57 -5.092 7.516 -4.499 412 HA PHE 57 HA PHE 57 -4.088 9.442 -2.543 413 HB2 PHE 57 1HB PHE 57 -3.590 9.577 -5.062 414 HB3 PHE 57 2HB PHE 57 -5.271 10.016 -5.303 415 HD1 PHE 57 HD2 PHE 57 -6.097 12.256 -4.600 416 HD2 PHE 57 HD1 PHE 57 -1.987 11.170 -4.119 417 HE1 PHE 57 HE2 PHE 57 -5.506 14.616 -4.275 418 HE2 PHE 57 HE1 PHE 57 -1.411 13.539 -3.794 419 HZ PHE 57 HZ PHE 57 -3.164 15.262 -3.872 420 H ASP 58 H ASP 58 -5.726 8.865 -1.010 421 HA ASP 58 HA ASP 58 -7.778 10.734 -0.672 422 HB2 ASP 58 1HB ASP 58 -9.035 9.462 -2.377 423 HB3 ASP 58 2HB ASP 58 -8.759 7.961 -1.510 424 H SER 59 H SER 59 -8.374 10.722 1.515 425 HA SER 59 HA SER 59 -6.610 9.525 3.318 426 HB2 SER 59 1HB SER 59 -8.207 10.458 5.082 427 HB3 SER 59 2HB SER 59 -7.643 11.626 3.885 428 HG SER 59 HG SER 59 -9.687 11.977 3.558 429 H LEU 60 H LEU 60 -9.898 8.505 2.394 430 HA LEU 60 HA LEU 60 -10.183 6.524 4.454 431 HB2 LEU 60 1HB LEU 60 -12.084 7.630 3.206 432 HB3 LEU 60 2HB LEU 60 -11.647 6.718 1.779 433 HG LEU 60 HG LEU 60 -13.670 5.882 3.151 434 HD11 LEU 60 1HD1 LEU 60 -12.665 4.467 1.424 435 HD12 LEU 60 2HD1 LEU 60 -13.236 3.507 2.784 436 HD13 LEU 60 3HD1 LEU 60 -11.510 3.827 2.596 437 HD21 LEU 60 3HD2 LEU 60 -12.706 6.130 5.392 438 HD22 LEU 60 1HD2 LEU 60 -11.520 4.868 5.042 439 HD23 LEU 60 2HD2 LEU 60 -13.241 4.477 5.109 440 H VAL 61 H VAL 61 -8.998 6.528 1.113 441 HA VAL 61 HA VAL 61 -8.634 3.685 0.909 442 HB VAL 61 HB VAL 61 -7.163 5.770 -0.787 443 HG11 VAL 61 1HG1 VAL 61 -7.988 2.888 -1.372 444 HG12 VAL 61 2HG1 VAL 61 -6.358 3.442 -0.991 445 HG13 VAL 61 3HG1 VAL 61 -7.136 3.968 -2.482 446 HG21 VAL 61 3HG2 VAL 61 -9.589 6.268 -0.843 447 HG22 VAL 61 1HG2 VAL 61 -9.933 4.601 -1.308 448 HG23 VAL 61 2HG2 VAL 61 -9.027 5.654 -2.397 449 H VAL 62 H VAL 62 -6.635 6.362 2.021 450 HA VAL 62 HA VAL 62 -4.155 4.963 2.311 451 HB VAL 62 HB VAL 62 -5.202 7.514 3.645 452 HG11 VAL 62 1HG1 VAL 62 -3.505 6.541 5.135 453 HG12 VAL 62 2HG1 VAL 62 -2.869 7.992 4.364 454 HG13 VAL 62 3HG1 VAL 62 -2.369 6.397 3.793 455 HG21 VAL 62 3HG2 VAL 62 -3.689 8.682 2.080 456 HG22 VAL 62 1HG2 VAL 62 -4.843 7.676 1.204 457 HG23 VAL 62 2HG2 VAL 62 -3.174 7.137 1.398 458 H SER 63 H SER 63 -6.997 5.425 4.361 459 HA SER 63 HA SER 63 -5.931 4.179 6.724 460 HB2 SER 63 1HB SER 63 -7.827 5.815 6.759 461 HB3 SER 63 2HB SER 63 -8.846 4.624 5.947 462 HG SER 63 HG SER 63 -8.481 3.234 7.765 463 H GLU 64 H GLU 64 -7.770 3.093 3.911 464 HA GLU 64 HA GLU 64 -8.215 0.394 4.705 465 HB2 GLU 64 1HB GLU 64 -9.456 1.474 2.827 466 HB3 GLU 64 2HB GLU 64 -7.969 1.585 1.897 467 HG2 GLU 64 1HG GLU 64 -9.252 -0.261 1.041 468 HG3 GLU 64 2HG GLU 64 -7.845 -0.920 1.870 469 H LEU 65 H LEU 65 -5.644 2.092 3.045 470 HA LEU 65 HA LEU 65 -4.051 -0.053 2.174 471 HB2 LEU 65 1HB LEU 65 -3.838 2.186 1.233 472 HB3 LEU 65 2HB LEU 65 -3.381 2.846 2.793 473 HG LEU 65 HG LEU 65 -1.232 1.588 2.691 474 HD11 LEU 65 1HD1 LEU 65 -2.115 0.739 -0.086 475 HD12 LEU 65 2HD1 LEU 65 -1.895 -0.313 1.316 476 HD13 LEU 65 3HD1 LEU 65 -0.507 0.503 0.607 477 HD21 LEU 65 3HD2 LEU 65 -1.750 3.354 0.271 478 HD22 LEU 65 1HD2 LEU 65 -0.164 2.964 0.947 479 HD23 LEU 65 2HD2 LEU 65 -1.313 3.906 1.892 480 H SER 66 H SER 66 -3.777 2.052 5.050 481 HA SER 66 HA SER 66 -1.514 0.842 6.210 482 HB2 SER 66 1HB SER 66 -2.221 2.070 8.296 483 HB3 SER 66 2HB SER 66 -2.195 3.090 6.858 484 HG SER 66 HG SER 66 -4.103 3.548 7.757 485 H LEU 67 H LEU 67 -4.972 0.215 6.594 486 HA LEU 67 HA LEU 67 -4.837 -1.730 8.647 487 HB2 LEU 67 1HB LEU 67 -6.920 -0.595 7.998 488 HB3 LEU 67 2HB LEU 67 -6.881 -1.364 6.419 489 HG LEU 67 HG LEU 67 -7.279 -3.578 7.452 490 HD11 LEU 67 1HD1 LEU 67 -7.352 -2.113 10.116 491 HD12 LEU 67 2HD1 LEU 67 -6.148 -3.296 9.599 492 HD13 LEU 67 3HD1 LEU 67 -7.815 -3.798 9.862 493 HD21 LEU 67 3HD2 LEU 67 -9.284 -1.489 8.381 494 HD22 LEU 67 1HD2 LEU 67 -9.595 -3.220 8.213 495 HD23 LEU 67 2HD2 LEU 67 -9.234 -2.249 6.788 496 H LYS 68 H LYS 68 -4.696 -2.015 5.112 497 HA LYS 68 HA LYS 68 -4.520 -4.863 4.987 498 HB2 LYS 68 1HB LYS 68 -3.847 -2.655 3.016 499 HB3 LYS 68 2HB LYS 68 -3.587 -4.349 2.624 500 HG2 LYS 68 1HG LYS 68 -6.279 -3.140 3.343 501 HG3 LYS 68 2HG LYS 68 -5.696 -3.432 1.701 502 HD2 LYS 68 1HD LYS 68 -5.520 -5.882 2.239 503 HD3 LYS 68 2HD LYS 68 -6.224 -5.555 3.825 504 HE2 LYS 68 1HE LYS 68 -7.577 -5.031 1.160 505 HE3 LYS 68 2HE LYS 68 -7.899 -6.403 2.220 506 HZ1 LYS 68 3HZ LYS 68 -8.599 -4.836 3.930 507 HZ2 LYS 68 1HZ LYS 68 -9.545 -4.715 2.539 508 HZ3 LYS 68 2HZ LYS 68 -8.370 -3.547 2.866 509 H LEU 69 H LEU 69 -2.082 -2.287 5.226 510 HA LEU 69 HA LEU 69 0.220 -3.929 4.825 511 HB2 LEU 69 1HB LEU 69 -0.039 -1.287 6.317 512 HB3 LEU 69 2HB LEU 69 1.485 -2.042 5.881 513 HG LEU 69 HG LEU 69 -0.576 -0.902 3.960 514 HD11 LEU 69 1HD1 LEU 69 0.693 0.839 5.102 515 HD12 LEU 69 2HD1 LEU 69 1.125 0.770 3.396 516 HD13 LEU 69 3HD1 LEU 69 2.212 0.086 4.608 517 HD21 LEU 69 3HD2 LEU 69 2.056 -2.238 3.262 518 HD22 LEU 69 1HD2 LEU 69 0.992 -1.390 2.135 519 HD23 LEU 69 2HD2 LEU 69 0.441 -2.864 2.924 520 H ARG 70 H ARG 70 -1.736 -3.060 7.595 521 HA ARG 70 HA ARG 70 -0.200 -4.133 9.709 522 HB2 ARG 70 1HB ARG 70 -1.977 -2.535 10.111 523 HB3 ARG 70 2HB ARG 70 -3.179 -3.580 9.386 524 HG2 ARG 70 1HG ARG 70 -1.761 -4.496 11.894 525 HG3 ARG 70 2HG ARG 70 -3.032 -3.284 12.017 526 HD2 ARG 70 1HD ARG 70 -4.633 -4.822 10.970 527 HD3 ARG 70 2HD ARG 70 -3.370 -6.040 10.777 528 HE ARG 70 HE ARG 70 -4.536 -5.124 13.340 529 HH11 ARG 70 1HH1 ARG 70 -2.708 -7.551 11.560 530 HH12 ARG 70 2HH1 ARG 70 -2.741 -8.697 12.857 531 HH21 ARG 70 1HH2 ARG 70 -4.578 -6.650 15.027 532 HH22 ARG 70 2HH2 ARG 70 -3.792 -8.188 14.823 533 H LYS 71 H LYS 71 -2.323 -5.646 7.364 534 HA LYS 71 HA LYS 71 -2.494 -8.168 8.876 535 HB2 LYS 71 1HB LYS 71 -3.813 -7.346 6.249 536 HB3 LYS 71 2HB LYS 71 -4.125 -8.845 7.125 537 HG2 LYS 71 1HG LYS 71 -5.001 -7.526 9.043 538 HG3 LYS 71 2HG LYS 71 -4.711 -6.042 8.135 539 HD2 LYS 71 1HD LYS 71 -7.068 -6.621 7.976 540 HD3 LYS 71 2HD LYS 71 -6.321 -6.819 6.388 541 HE2 LYS 71 1HE LYS 71 -7.858 -8.684 6.890 542 HE3 LYS 71 2HE LYS 71 -6.198 -9.264 6.747 543 HZ1 LYS 71 3HZ LYS 71 -6.042 -9.282 9.164 544 HZ2 LYS 71 1HZ LYS 71 -7.309 -10.261 8.630 545 HZ3 LYS 71 2HZ LYS 71 -7.638 -8.744 9.294 546 H GLU 72 H GLU 72 -1.738 -7.248 5.517 547 HA GLU 72 HA GLU 72 -0.644 -9.678 4.663 548 HB2 GLU 72 1HB GLU 72 -0.185 -6.865 3.574 549 HB3 GLU 72 2HB GLU 72 0.217 -8.347 2.714 550 HG2 GLU 72 1HG GLU 72 -2.603 -7.695 3.600 551 HG3 GLU 72 2HG GLU 72 -1.950 -7.153 2.060 552 H PHE 73 H PHE 73 0.977 -6.724 5.846 553 HA PHE 73 HA PHE 73 3.616 -8.069 5.667 554 HB2 PHE 73 1HB PHE 73 2.978 -5.084 5.705 555 HB3 PHE 73 2HB PHE 73 4.584 -5.790 5.524 556 HD1 PHE 73 HD1 PHE 73 5.092 -7.161 3.432 557 HD2 PHE 73 HD2 PHE 73 1.514 -4.844 3.801 558 HE1 PHE 73 HE1 PHE 73 4.754 -7.283 0.999 559 HE2 PHE 73 HE2 PHE 73 1.191 -4.968 1.362 560 HZ PHE 73 HZ PHE 73 2.813 -6.186 -0.040 561 H GLY 74 H GLY 74 1.311 -6.806 7.884 562 HA2 GLY 74 1HA GLY 74 1.307 -6.906 10.207 563 HA3 GLY 74 2HA GLY 74 3.014 -7.306 10.199 564 H VAL 75 H VAL 75 3.023 -4.760 8.253 565 HA VAL 75 HA VAL 75 4.117 -3.025 10.287 566 HB VAL 75 HB VAL 75 3.847 -2.468 7.289 567 HG11 VAL 75 1HG1 VAL 75 5.759 -0.935 7.624 568 HG12 VAL 75 2HG1 VAL 75 5.750 -1.299 9.352 569 HG13 VAL 75 3HG1 VAL 75 4.375 -0.477 8.618 570 HG21 VAL 75 3HG2 VAL 75 5.042 -4.604 7.603 571 HG22 VAL 75 1HG2 VAL 75 6.170 -3.831 8.721 572 HG23 VAL 75 2HG2 VAL 75 6.147 -3.358 7.019 573 H THR 76 H THR 76 2.656 -1.940 11.493 574 HA THR 76 HA THR 76 -0.011 -1.309 10.452 575 HB THR 76 HB THR 76 1.083 -1.187 13.304 576 HG1 THR 76 HG1 THR 76 0.694 -3.289 11.853 577 HG21 THR 76 3HG2 THR 76 -1.803 -1.177 12.316 578 HG22 THR 76 1HG2 THR 76 -0.959 0.209 13.017 579 HG23 THR 76 2HG2 THR 76 -1.286 -1.217 14.002 580 H GLY 77 H GLY 77 -0.848 0.721 10.269 581 HA2 GLY 77 1HA GLY 77 -1.163 2.978 10.600 582 HA3 GLY 77 2HA GLY 77 0.262 3.022 11.625 583 H VAL 78 H VAL 78 2.077 3.895 10.804 584 HA VAL 78 HA VAL 78 3.621 4.831 9.458 585 HB VAL 78 HB VAL 78 2.543 3.248 7.068 586 HG11 VAL 78 1HG1 VAL 78 5.372 4.103 7.784 587 HG12 VAL 78 2HG1 VAL 78 4.346 4.815 6.539 588 HG13 VAL 78 3HG1 VAL 78 4.915 3.157 6.364 589 HG21 VAL 78 3HG2 VAL 78 3.949 1.327 7.719 590 HG22 VAL 78 1HG2 VAL 78 2.713 1.658 8.935 591 HG23 VAL 78 2HG2 VAL 78 4.383 2.142 9.224 592 H ASP 79 H ASP 79 0.804 5.909 9.650 593 HA ASP 79 HA ASP 79 -0.288 6.654 7.190 594 HB2 ASP 79 1HB ASP 79 -0.754 7.959 9.894 595 HB3 ASP 79 2HB ASP 79 -1.819 8.095 8.497 596 H ASP 80 H ASP 80 2.042 8.335 9.201 597 HA ASP 80 HA ASP 80 1.947 10.904 8.021 598 HB2 ASP 80 1HB ASP 80 4.237 9.419 9.394 599 HB3 ASP 80 2HB ASP 80 4.359 11.097 8.867 600 H GLU 81 H GLU 81 4.025 8.081 7.328 601 HA GLU 81 HA GLU 81 5.331 9.246 5.061 602 HB2 GLU 81 1HB GLU 81 5.078 6.342 5.928 603 HB3 GLU 81 2HB GLU 81 6.071 6.874 4.581 604 HG2 GLU 81 1HG GLU 81 7.503 6.487 6.459 605 HG3 GLU 81 2HG GLU 81 7.443 8.228 6.177 606 H LEU 82 H LEU 82 2.406 7.372 5.527 607 HA LEU 82 HA LEU 82 1.911 6.776 2.766 608 HB2 LEU 82 1HB LEU 82 0.010 6.744 5.136 609 HB3 LEU 82 2HB LEU 82 -0.360 6.108 3.540 610 HG LEU 82 HG LEU 82 1.746 5.021 5.453 611 HD11 LEU 82 1HD1 LEU 82 0.316 3.051 5.636 612 HD12 LEU 82 2HD1 LEU 82 -0.874 3.791 4.556 613 HD13 LEU 82 3HD1 LEU 82 -0.552 4.502 6.139 614 HD21 LEU 82 3HD2 LEU 82 0.989 3.993 2.697 615 HD22 LEU 82 1HD2 LEU 82 2.060 3.177 3.843 616 HD23 LEU 82 2HD2 LEU 82 2.527 4.728 3.154 617 H ASP 83 H ASP 83 1.375 9.547 4.768 618 HA ASP 83 HA ASP 83 -0.425 10.926 2.968 619 HB2 ASP 83 1HB ASP 83 -0.428 11.606 5.298 620 HB3 ASP 83 2HB ASP 83 1.307 11.884 5.288 621 H LEU 84 H LEU 84 3.074 10.712 3.485 622 HA LEU 84 HA LEU 84 3.805 12.629 1.464 623 HB2 LEU 84 1HB LEU 84 5.341 10.661 3.156 624 HB3 LEU 84 2HB LEU 84 6.133 11.349 1.755 625 HG LEU 84 HG LEU 84 6.764 12.601 3.753 626 HD11 LEU 84 1HD1 LEU 84 6.608 13.837 1.634 627 HD12 LEU 84 2HD1 LEU 84 6.242 14.873 3.010 628 HD13 LEU 84 3HD1 LEU 84 4.932 14.270 1.992 629 HD21 LEU 84 3HD2 LEU 84 4.812 12.177 5.170 630 HD22 LEU 84 1HD2 LEU 84 3.811 13.210 4.145 631 HD23 LEU 84 2HD2 LEU 84 5.142 13.904 5.077 632 H LEU 85 H LEU 85 2.397 9.684 1.061 633 HA LEU 85 HA LEU 85 3.758 8.666 -1.227 634 HB2 LEU 85 1HB LEU 85 0.957 8.322 -0.132 635 HB3 LEU 85 2HB LEU 85 1.402 7.610 -1.677 636 HG LEU 85 HG LEU 85 2.733 7.000 0.978 637 HD11 LEU 85 1HD1 LEU 85 0.792 5.356 -0.671 638 HD12 LEU 85 2HD1 LEU 85 0.483 6.088 0.903 639 HD13 LEU 85 3HD1 LEU 85 1.663 4.790 0.754 640 HD21 LEU 85 3HD2 LEU 85 4.331 6.820 -0.876 641 HD22 LEU 85 1HD2 LEU 85 3.207 5.795 -1.777 642 HD23 LEU 85 2HD2 LEU 85 3.916 5.223 -0.266 643 H GLU 86 H GLU 86 3.557 9.093 -3.318 644 HA GLU 86 HA GLU 86 1.308 10.702 -4.349 645 HB2 GLU 86 1HB GLU 86 3.322 12.175 -4.209 646 HB3 GLU 86 2HB GLU 86 4.230 11.023 -5.183 647 HG2 GLU 86 1HG GLU 86 2.698 11.425 -7.086 648 HG3 GLU 86 2HG GLU 86 1.799 12.590 -6.112 649 H THR 87 H THR 87 4.120 8.642 -5.215 650 HA THR 87 HA THR 87 2.528 7.320 -7.334 651 HB THR 87 HB THR 87 4.714 6.385 -8.130 652 HG1 THR 87 HG1 THR 87 6.631 7.439 -7.137 653 HG21 THR 87 3HG2 THR 87 4.760 9.415 -7.815 654 HG22 THR 87 1HG2 THR 87 3.917 8.532 -9.091 655 HG23 THR 87 2HG2 THR 87 5.679 8.489 -9.000 656 H VAL 88 H VAL 88 2.247 5.083 -7.355 657 HA VAL 88 HA VAL 88 2.348 3.616 -4.918 658 HB VAL 88 HB VAL 88 1.884 1.581 -6.446 659 HG11 VAL 88 1HG1 VAL 88 0.097 2.747 -5.232 660 HG12 VAL 88 2HG1 VAL 88 -0.475 2.195 -6.805 661 HG13 VAL 88 3HG1 VAL 88 -0.070 3.899 -6.558 662 HG21 VAL 88 3HG2 VAL 88 1.132 2.072 -8.733 663 HG22 VAL 88 1HG2 VAL 88 2.836 2.462 -8.503 664 HG23 VAL 88 2HG2 VAL 88 1.635 3.754 -8.527 665 H ASP 89 H ASP 89 4.622 4.004 -7.582 666 HA ASP 89 HA ASP 89 6.557 2.079 -7.009 667 HB2 ASP 89 1HB ASP 89 6.720 3.574 -8.946 668 HB3 ASP 89 2HB ASP 89 6.907 4.976 -7.905 669 H GLU 90 H GLU 90 6.099 5.306 -5.603 670 HA GLU 90 HA GLU 90 8.178 5.333 -3.734 671 HB2 GLU 90 1HB GLU 90 6.676 7.296 -4.379 672 HB3 GLU 90 2HB GLU 90 5.423 6.599 -3.363 673 HG2 GLU 90 1HG GLU 90 6.468 8.323 -2.090 674 HG3 GLU 90 2HG GLU 90 7.010 6.794 -1.401 675 H LEU 91 H LEU 91 4.861 4.069 -3.534 676 HA LEU 91 HA LEU 91 4.857 3.331 -0.797 677 HB2 LEU 91 1HB LEU 91 2.798 3.618 -2.096 678 HB3 LEU 91 2HB LEU 91 3.213 2.235 -3.097 679 HG LEU 91 HG LEU 91 2.943 0.721 -1.154 680 HD11 LEU 91 1HD1 LEU 91 2.153 3.188 0.428 681 HD12 LEU 91 2HD1 LEU 91 3.604 2.214 0.672 682 HD13 LEU 91 3HD1 LEU 91 2.016 1.519 0.985 683 HD21 LEU 91 3HD2 LEU 91 1.013 1.173 -2.599 684 HD22 LEU 91 1HD2 LEU 91 0.548 2.536 -1.576 685 HD23 LEU 91 2HD2 LEU 91 0.504 0.891 -0.937 686 H PHE 92 H PHE 92 5.758 1.463 -3.711 687 HA PHE 92 HA PHE 92 6.186 -1.035 -2.441 688 HB2 PHE 92 1HB PHE 92 7.352 0.147 -4.996 689 HB3 PHE 92 2HB PHE 92 7.775 -1.471 -4.448 690 HD1 PHE 92 HD1 PHE 92 5.787 -3.121 -4.014 691 HD2 PHE 92 HD2 PHE 92 5.425 0.408 -6.398 692 HE1 PHE 92 HE1 PHE 92 3.794 -4.053 -5.103 693 HE2 PHE 92 HE2 PHE 92 3.435 -0.536 -7.485 694 HZ PHE 92 HZ PHE 92 2.607 -2.766 -6.831 695 H GLN 93 H GLN 93 8.234 1.821 -2.856 696 HA GLN 93 HA GLN 93 10.594 0.646 -1.624 697 HB2 GLN 93 1HB GLN 93 9.999 3.523 -2.413 698 HB3 GLN 93 2HB GLN 93 11.572 2.914 -1.914 699 HG2 GLN 93 1HG GLN 93 10.112 1.863 -4.345 700 HG3 GLN 93 2HG GLN 93 11.196 3.244 -4.413 701 HE21 GLN 93 2HE2 GLN 93 11.879 0.297 -2.472 702 HE22 GLN 93 1HE2 GLN 93 13.212 -0.195 -3.434 703 H LEU 94 H LEU 94 7.814 2.396 -0.546 704 HA LEU 94 HA LEU 94 8.875 3.502 1.888 705 HB2 LEU 94 1HB LEU 94 6.863 4.366 0.584 706 HB3 LEU 94 2HB LEU 94 5.960 2.969 1.131 707 HG LEU 94 HG LEU 94 7.093 5.099 2.999 708 HD11 LEU 94 1HD1 LEU 94 5.425 6.089 1.518 709 HD12 LEU 94 2HD1 LEU 94 4.822 5.985 3.169 710 HD13 LEU 94 3HD1 LEU 94 4.264 4.831 1.956 711 HD21 LEU 94 3HD2 LEU 94 5.529 4.203 4.679 712 HD22 LEU 94 1HD2 LEU 94 6.690 2.983 4.174 713 HD23 LEU 94 2HD2 LEU 94 5.038 2.929 3.560 714 H VAL 95 H VAL 95 6.629 0.841 1.123 715 HA VAL 95 HA VAL 95 6.518 -0.308 3.681 716 HB VAL 95 HB VAL 95 6.057 -1.649 0.970 717 HG11 VAL 95 1HG1 VAL 95 4.747 -3.362 2.216 718 HG12 VAL 95 2HG1 VAL 95 5.247 -2.631 3.742 719 HG13 VAL 95 3HG1 VAL 95 6.447 -3.371 2.685 720 HG21 VAL 95 3HG2 VAL 95 3.657 -1.223 1.418 721 HG22 VAL 95 1HG2 VAL 95 4.580 0.281 1.369 722 HG23 VAL 95 2HG2 VAL 95 4.078 -0.396 2.920 723 H GLU 96 H GLU 96 8.687 -0.833 0.898 724 HA GLU 96 HA GLU 96 10.292 -2.901 1.891 725 HB2 GLU 96 1HB GLU 96 10.462 -2.024 -0.436 726 HB3 GLU 96 2HB GLU 96 11.153 -0.524 0.171 727 HG2 GLU 96 1HG GLU 96 12.909 -1.935 -0.748 728 HG3 GLU 96 2HG GLU 96 13.132 -1.762 0.993 729 H LYS 97 H LYS 97 10.555 0.610 2.405 730 HA LYS 97 HA LYS 97 13.009 0.743 3.744 731 HB2 LYS 97 1HB LYS 97 11.690 2.677 2.786 732 HB3 LYS 97 2HB LYS 97 10.593 2.564 4.152 733 HG2 LYS 97 1HG LYS 97 12.102 4.390 4.543 734 HG3 LYS 97 2HG LYS 97 12.519 3.100 5.674 735 HD2 LYS 97 1HD LYS 97 14.434 2.453 4.311 736 HD3 LYS 97 2HD LYS 97 13.959 3.585 3.041 737 HE2 LYS 97 1HE LYS 97 14.408 5.483 4.502 738 HE3 LYS 97 2HE LYS 97 14.763 4.405 5.855 739 HZ1 LYS 97 3HZ LYS 97 16.318 4.646 3.338 740 HZ2 LYS 97 1HZ LYS 97 16.632 3.520 4.560 741 HZ3 LYS 97 2HZ LYS 97 16.791 5.173 4.870 742 H HIS 98 H HIS 98 9.735 0.388 5.044 743 HA HIS 98 HA HIS 98 10.590 0.424 7.832 744 HB2 HIS 98 1HB HIS 98 7.844 0.120 6.529 745 HB3 HIS 98 2HB HIS 98 8.100 0.085 8.273 746 HD1 HIS 98 HD1 HIS 98 7.930 2.292 9.405 747 HD2 HIS 98 HD2 HIS 98 8.809 2.723 5.372 748 HE1 HIS 98 HE1 HIS 98 7.868 4.754 8.957 749 HE2 HIS 98 HE2 HIS 98 8.646 4.982 6.582 750 H ARG 99 H ARG 99 9.630 -2.001 5.454 751 HA ARG 99 HA ARG 99 9.153 -4.121 7.362 752 HB2 ARG 99 1HB ARG 99 7.981 -3.956 5.127 753 HB3 ARG 99 2HB ARG 99 9.503 -4.310 4.332 754 HG2 ARG 99 1HG ARG 99 8.336 -6.276 6.312 755 HG3 ARG 99 2HG ARG 99 7.717 -6.209 4.664 756 HD2 ARG 99 1HD ARG 99 9.937 -6.712 3.776 757 HD3 ARG 99 2HD ARG 99 10.619 -6.692 5.406 758 HE ARG 99 HE ARG 99 8.483 -8.588 5.153 759 HH11 ARG 99 1HH1 ARG 99 11.936 -8.149 4.597 760 HH12 ARG 99 2HH1 ARG 99 12.264 -9.850 4.546 761 HH21 ARG 99 1HH2 ARG 99 8.954 -10.817 5.107 762 HH22 ARG 99 2HH2 ARG 99 10.590 -11.350 4.873 763 H ALA 100 H ALA 100 11.764 -3.225 5.102 764 HA ALA 100 HA ALA 100 13.574 -5.300 5.647 765 HB1 ALA 100 3HB ALA 100 14.207 -2.433 4.868 766 HB2 ALA 100 1HB ALA 100 13.865 -3.756 3.753 767 HB3 ALA 100 2HB ALA 100 15.320 -3.803 4.751 768 H ALA 101 H ALA 101 13.460 -1.990 6.983 769 HA ALA 101 HA ALA 101 13.870 -1.081 8.985 770 HB1 ALA 101 3HB ALA 101 13.742 -3.907 10.083 771 HB2 ALA 101 1HB ALA 101 12.371 -2.820 9.859 772 HB3 ALA 101 2HB ALA 101 13.628 -2.423 11.033 773 H GLY 102 H GLY 102 15.476 -0.742 10.672 774 HA2 GLY 102 1HA GLY 102 17.704 -1.157 11.569 775 HA3 GLY 102 2HA GLY 102 18.187 -1.766 9.989 776 H SER 103 H SER 103 16.653 0.399 8.652 777 HA SER 103 HA SER 103 18.031 2.875 9.449 778 HB2 SER 103 1HB SER 103 17.962 1.769 6.593 779 HB3 SER 103 2HB SER 103 18.576 3.361 7.065 780 HG SER 103 HG SER 103 19.922 1.892 8.594 Start of MODEL 17 1 H1 MET 1 1H MET 1 -41.163 -32.317 29.030 2 H2 MET 1 2H MET 1 -41.663 -31.489 27.646 3 H3 MET 1 3H MET 1 -40.594 -30.760 28.727 4 HA MET 1 HA MET 1 -38.882 -32.296 28.223 5 HB2 MET 1 1HB MET 1 -39.217 -34.008 26.407 6 HB3 MET 1 2HB MET 1 -40.183 -34.316 27.840 7 HG2 MET 1 1HG MET 1 -42.172 -33.463 26.735 8 HG3 MET 1 2HG MET 1 -41.229 -33.023 25.309 9 HE1 MET 1 3HE MET 1 -40.305 -36.490 23.767 10 HE2 MET 1 1HE MET 1 -39.306 -35.415 24.742 11 HE3 MET 1 2HE MET 1 -40.360 -34.748 23.492 12 H GLY 2 H GLY 2 -37.541 -32.216 26.248 13 HA2 GLY 2 1HA GLY 2 -38.321 -30.678 23.958 14 HA3 GLY 2 2HA GLY 2 -37.326 -29.746 25.080 15 H SER 3 H SER 3 -37.317 -32.005 22.558 16 HA SER 3 HA SER 3 -34.741 -33.234 23.099 17 HB2 SER 3 1HB SER 3 -36.511 -33.390 20.615 18 HB3 SER 3 2HB SER 3 -35.145 -34.443 20.999 19 HG SER 3 HG SER 3 -37.303 -34.189 22.798 20 H SER 4 H SER 4 -32.917 -32.125 22.749 21 HA SER 4 HA SER 4 -32.690 -29.771 21.153 22 HB2 SER 4 1HB SER 4 -30.460 -31.520 22.281 23 HB3 SER 4 2HB SER 4 -30.318 -29.837 21.766 24 HG SER 4 HG SER 4 -32.173 -29.686 23.490 25 H HIS 5 H HIS 5 -33.333 -30.335 19.036 26 HA HIS 5 HA HIS 5 -31.929 -32.450 17.600 27 HB2 HIS 5 1HB HIS 5 -33.459 -32.042 15.749 28 HB3 HIS 5 2HB HIS 5 -34.366 -32.198 17.242 29 HD1 HIS 5 HD1 HIS 5 -34.065 -30.107 14.317 30 HD2 HIS 5 HD2 HIS 5 -35.270 -29.529 18.250 31 HE1 HIS 5 HE1 HIS 5 -35.451 -28.022 14.295 32 HE2 HIS 5 HE2 HIS 5 -36.275 -27.764 16.657 33 H ASP 6 H ASP 6 -30.108 -32.123 16.561 34 HA ASP 6 HA ASP 6 -28.952 -29.452 16.324 35 HB2 ASP 6 1HB ASP 6 -27.549 -31.180 17.303 36 HB3 ASP 6 2HB ASP 6 -27.817 -32.264 15.942 37 H HIS 7 H HIS 7 -28.151 -28.552 14.395 38 HA HIS 7 HA HIS 7 -28.624 -29.931 11.845 39 HB2 HIS 7 1HB HIS 7 -30.612 -28.378 12.416 40 HB3 HIS 7 2HB HIS 7 -29.504 -27.033 12.212 41 HD1 HIS 7 HD1 HIS 7 -32.110 -28.198 10.433 42 HD2 HIS 7 HD2 HIS 7 -28.116 -27.854 9.357 43 HE1 HIS 7 HE1 HIS 7 -32.082 -28.124 7.931 44 HE2 HIS 7 HE2 HIS 7 -29.679 -27.720 7.321 45 H HIS 8 H HIS 8 -26.232 -30.102 12.429 46 HA HIS 8 HA HIS 8 -24.625 -27.827 11.600 47 HB2 HIS 8 1HB HIS 8 -23.985 -30.739 12.164 48 HB3 HIS 8 2HB HIS 8 -22.798 -29.715 11.363 49 HD1 HIS 8 HD1 HIS 8 -23.765 -30.784 14.647 50 HD2 HIS 8 HD2 HIS 8 -22.257 -27.262 13.050 51 HE1 HIS 8 HE1 HIS 8 -22.724 -29.556 16.570 52 HE2 HIS 8 HE2 HIS 8 -21.701 -27.501 15.551 53 H HIS 9 H HIS 9 -23.116 -28.140 9.684 54 HA HIS 9 HA HIS 9 -24.364 -29.477 7.371 55 HB2 HIS 9 1HB HIS 9 -23.956 -27.513 5.943 56 HB3 HIS 9 2HB HIS 9 -25.018 -27.068 7.272 57 HD1 HIS 9 HD1 HIS 9 -21.756 -26.258 5.739 58 HD2 HIS 9 HD2 HIS 9 -23.751 -25.390 9.277 59 HE1 HIS 9 HE1 HIS 9 -20.510 -24.345 6.762 60 HE2 HIS 9 HE2 HIS 9 -21.629 -23.959 8.977 61 H HIS 10 H HIS 10 -22.922 -30.378 5.977 62 HA HIS 10 HA HIS 10 -20.268 -30.887 6.931 63 HB2 HIS 10 1HB HIS 10 -21.558 -31.682 4.285 64 HB3 HIS 10 2HB HIS 10 -20.034 -32.315 4.903 65 HD1 HIS 10 HD1 HIS 10 -23.683 -32.760 5.107 66 HD2 HIS 10 HD2 HIS 10 -20.343 -34.041 7.208 67 HE1 HIS 10 HE1 HIS 10 -24.471 -34.664 6.521 68 HE2 HIS 10 HE2 HIS 10 -22.481 -35.281 7.930 69 H SER 11 H SER 11 -18.495 -29.731 6.507 70 HA SER 11 HA SER 11 -18.336 -27.631 4.564 71 HB2 SER 11 1HB SER 11 -15.887 -27.612 5.269 72 HB3 SER 11 2HB SER 11 -17.030 -27.430 6.597 73 HG SER 11 HG SER 11 -15.358 -29.570 5.953 74 H SER 12 H SER 12 -18.802 -28.543 2.574 75 HA SER 12 HA SER 12 -17.121 -30.751 1.517 76 HB2 SER 12 1HB SER 12 -19.548 -31.270 1.767 77 HB3 SER 12 2HB SER 12 -19.947 -29.893 0.747 78 HG SER 12 HG SER 12 -19.961 -31.781 -0.476 79 H GLY 13 H GLY 13 -16.955 -27.590 1.482 80 HA2 GLY 13 1HA GLY 13 -17.292 -26.779 -1.243 81 HA3 GLY 13 2HA GLY 13 -16.528 -25.866 0.041 82 H ARG 14 H ARG 14 -15.971 -28.442 -2.324 83 HA ARG 14 HA ARG 14 -13.057 -28.143 -2.147 84 HB2 ARG 14 1HB ARG 14 -14.921 -30.092 -3.511 85 HB3 ARG 14 2HB ARG 14 -13.336 -29.861 -4.222 86 HG2 ARG 14 1HG ARG 14 -13.404 -31.820 -2.758 87 HG3 ARG 14 2HG ARG 14 -12.240 -30.627 -2.200 88 HD2 ARG 14 1HD ARG 14 -15.026 -30.837 -1.024 89 HD3 ARG 14 2HD ARG 14 -13.671 -31.799 -0.426 90 HE ARG 14 HE ARG 14 -12.989 -29.035 -0.494 91 HH11 ARG 14 1HH1 ARG 14 -14.693 -31.403 1.456 92 HH12 ARG 14 2HH1 ARG 14 -14.723 -30.388 2.857 93 HH21 ARG 14 1HH2 ARG 14 -13.049 -27.720 1.333 94 HH22 ARG 14 2HH2 ARG 14 -13.792 -28.300 2.790 95 H GLU 15 H GLU 15 -14.950 -28.470 -5.151 96 HA GLU 15 HA GLU 15 -15.046 -27.310 -7.081 97 HB2 GLU 15 1HB GLU 15 -15.200 -25.103 -4.990 98 HB3 GLU 15 2HB GLU 15 -15.352 -24.735 -6.704 99 HG2 GLU 15 1HG GLU 15 -17.544 -24.914 -5.607 100 HG3 GLU 15 2HG GLU 15 -17.361 -26.107 -6.883 101 H ASN 16 H ASN 16 -13.980 -24.805 -7.867 102 HA ASN 16 HA ASN 16 -12.209 -23.795 -8.802 103 HB2 ASN 16 1HB ASN 16 -10.924 -24.457 -6.119 104 HB3 ASN 16 2HB ASN 16 -10.325 -23.260 -7.265 105 HD21 ASN 16 2HD2 ASN 16 -11.171 -22.870 -4.523 106 HD22 ASN 16 1HD2 ASN 16 -12.468 -21.727 -4.558 107 H LEU 17 H LEU 17 -11.913 -25.267 -10.458 108 HA LEU 17 HA LEU 17 -10.165 -27.516 -10.361 109 HB2 LEU 17 1HB LEU 17 -11.237 -25.878 -12.692 110 HB3 LEU 17 2HB LEU 17 -10.213 -27.283 -12.910 111 HG LEU 17 HG LEU 17 -12.483 -27.984 -13.302 112 HD11 LEU 17 1HD1 LEU 17 -12.796 -29.776 -11.661 113 HD12 LEU 17 2HD1 LEU 17 -11.657 -28.993 -10.564 114 HD13 LEU 17 3HD1 LEU 17 -11.099 -29.618 -12.118 115 HD21 LEU 17 3HD2 LEU 17 -13.266 -26.845 -10.591 116 HD22 LEU 17 1HD2 LEU 17 -14.322 -27.752 -11.679 117 HD23 LEU 17 2HD2 LEU 17 -13.701 -26.176 -12.164 118 H TYR 18 H TYR 18 -8.129 -27.330 -9.904 119 HA TYR 18 HA TYR 18 -6.578 -24.949 -10.065 120 HB2 TYR 18 1HB TYR 18 -4.723 -26.428 -9.173 121 HB3 TYR 18 2HB TYR 18 -6.185 -26.411 -8.206 122 HD1 TYR 18 HD2 TYR 18 -7.730 -28.439 -8.236 123 HD2 TYR 18 HD1 TYR 18 -3.892 -28.526 -10.119 124 HE1 TYR 18 HE2 TYR 18 -7.790 -30.895 -8.257 125 HE2 TYR 18 HE1 TYR 18 -3.958 -30.977 -10.134 126 HH TYR 18 HH TYR 18 -6.733 -32.763 -9.617 127 H PHE 19 H PHE 19 -5.488 -24.195 -11.748 128 HA PHE 19 HA PHE 19 -4.257 -25.997 -13.744 129 HB2 PHE 19 1HB PHE 19 -5.890 -23.483 -14.355 130 HB3 PHE 19 2HB PHE 19 -4.880 -24.306 -15.535 131 HD1 PHE 19 HD1 PHE 19 -5.402 -26.902 -15.848 132 HD2 PHE 19 HD2 PHE 19 -8.183 -24.042 -14.297 133 HE1 PHE 19 HE1 PHE 19 -7.272 -28.360 -16.478 134 HE2 PHE 19 HE2 PHE 19 -10.042 -25.515 -14.926 135 HZ PHE 19 HZ PHE 19 -9.590 -27.675 -16.019 136 H GLN 20 H GLN 20 -2.207 -25.728 -13.042 137 HA GLN 20 HA GLN 20 -0.183 -24.868 -12.579 138 HB2 GLN 20 1HB GLN 20 -1.101 -22.726 -14.543 139 HB3 GLN 20 2HB GLN 20 0.558 -22.875 -13.969 140 HG2 GLN 20 1HG GLN 20 0.681 -25.147 -14.956 141 HG3 GLN 20 2HG GLN 20 -0.960 -24.961 -15.574 142 HE21 GLN 20 2HE2 GLN 20 2.362 -23.888 -15.886 143 HE22 GLN 20 1HE2 GLN 20 2.185 -23.155 -17.442 144 H GLY 21 H GLY 21 -1.001 -24.590 -10.394 145 HA2 GLY 21 1HA GLY 21 -2.180 -22.244 -9.360 146 HA3 GLY 21 2HA GLY 21 -1.371 -23.489 -8.424 147 H HIS 22 H HIS 22 0.893 -23.331 -8.026 148 HA HIS 22 HA HIS 22 2.731 -22.290 -7.259 149 HB2 HIS 22 1HB HIS 22 3.268 -22.337 -9.680 150 HB3 HIS 22 2HB HIS 22 2.536 -20.753 -9.885 151 HD1 HIS 22 HD1 HIS 22 5.638 -22.427 -8.617 152 HD2 HIS 22 HD2 HIS 22 4.113 -18.578 -8.957 153 HE1 HIS 22 HE1 HIS 22 7.572 -20.892 -8.170 154 HE2 HIS 22 HE2 HIS 22 6.575 -18.584 -8.222 155 H MET 23 H MET 23 1.597 -21.362 -5.467 156 HA MET 23 HA MET 23 1.135 -18.438 -5.641 157 HB2 MET 23 1HB MET 23 -0.802 -18.717 -4.069 158 HB3 MET 23 2HB MET 23 -1.045 -19.456 -5.643 159 HG2 MET 23 1HG MET 23 -0.472 -21.683 -4.618 160 HG3 MET 23 2HG MET 23 -0.438 -20.887 -3.045 161 HE1 MET 23 3HE MET 23 -2.919 -20.286 -6.121 162 HE2 MET 23 1HE MET 23 -4.245 -21.346 -5.648 163 HE3 MET 23 2HE MET 23 -2.677 -22.033 -6.077 164 HA PRO 24 HA PRO 24 3.884 -18.638 -1.976 165 HB2 PRO 24 1HB PRO 24 5.343 -16.442 -2.546 166 HB3 PRO 24 2HB PRO 24 5.663 -17.972 -3.376 167 HG2 PRO 24 1HG PRO 24 4.083 -15.592 -4.351 168 HG3 PRO 24 2HG PRO 24 5.316 -16.540 -5.210 169 HD2 PRO 24 1HD PRO 24 2.606 -16.951 -5.515 170 HD3 PRO 24 2HD PRO 24 3.816 -18.227 -5.762 171 H ASN 25 H ASN 25 4.188 -16.757 -0.352 172 HA ASN 25 HA ASN 25 1.657 -15.403 0.110 173 HB2 ASN 25 1HB ASN 25 2.994 -16.309 2.008 174 HB3 ASN 25 2HB ASN 25 4.304 -15.194 1.641 175 HD21 ASN 25 2HD2 ASN 25 4.184 -14.316 3.719 176 HD22 ASN 25 1HD2 ASN 25 2.915 -13.247 4.195 177 H ASP 26 H ASP 26 5.045 -14.268 -0.282 178 HA ASP 26 HA ASP 26 6.045 -12.568 -1.383 179 HB2 ASP 26 1HB ASP 26 4.681 -13.451 -3.308 180 HB3 ASP 26 2HB ASP 26 3.389 -12.336 -2.883 181 H MET 27 H MET 27 5.991 -10.092 -1.708 182 HA MET 27 HA MET 27 4.169 -8.766 0.239 183 HB2 MET 27 1HB MET 27 6.583 -8.958 1.045 184 HB3 MET 27 2HB MET 27 7.054 -7.902 -0.282 185 HG2 MET 27 1HG MET 27 5.468 -6.165 0.656 186 HG3 MET 27 2HG MET 27 5.246 -7.210 2.056 187 HE1 MET 27 3HE MET 27 8.455 -6.205 -0.103 188 HE2 MET 27 1HE MET 27 9.139 -4.966 0.954 189 HE3 MET 27 2HE MET 27 7.572 -4.704 0.192 190 H GLU 28 H GLU 28 6.057 -8.390 -2.748 191 HA GLU 28 HA GLU 28 5.310 -5.655 -3.238 192 HB2 GLU 28 1HB GLU 28 6.636 -7.705 -5.045 193 HB3 GLU 28 2HB GLU 28 6.487 -5.987 -5.417 194 HG2 GLU 28 1HG GLU 28 7.938 -5.405 -3.546 195 HG3 GLU 28 2HG GLU 28 7.988 -7.091 -3.023 196 H ASP 29 H ASP 29 4.685 -8.594 -5.195 197 HA ASP 29 HA ASP 29 2.586 -7.498 -6.760 198 HB2 ASP 29 1HB ASP 29 3.921 -9.475 -7.453 199 HB3 ASP 29 2HB ASP 29 3.239 -10.417 -6.132 200 H HIS 30 H HIS 30 2.680 -9.183 -3.688 201 HA HIS 30 HA HIS 30 -0.070 -9.645 -3.261 202 HB2 HIS 30 1HB HIS 30 1.928 -10.555 -1.938 203 HB3 HIS 30 2HB HIS 30 2.027 -8.994 -1.142 204 HD1 HIS 30 HD1 HIS 30 1.630 -11.531 0.482 205 HD2 HIS 30 HD2 HIS 30 -1.545 -9.209 -0.851 206 HE1 HIS 30 HE1 HIS 30 -0.282 -12.051 2.006 207 HE2 HIS 30 HE2 HIS 30 -2.218 -10.759 1.084 208 H LEU 31 H LEU 31 2.022 -6.848 -2.609 209 HA LEU 31 HA LEU 31 0.136 -5.143 -1.333 210 HB2 LEU 31 1HB LEU 31 2.636 -4.901 -1.253 211 HB3 LEU 31 2HB LEU 31 2.622 -4.406 -2.934 212 HG LEU 31 HG LEU 31 1.294 -2.368 -2.279 213 HD11 LEU 31 1HD1 LEU 31 1.807 -3.288 0.573 214 HD12 LEU 31 2HD1 LEU 31 0.235 -3.196 -0.226 215 HD13 LEU 31 3HD1 LEU 31 1.141 -1.721 0.094 216 HD21 LEU 31 3HD2 LEU 31 3.737 -2.232 -2.540 217 HD22 LEU 31 1HD2 LEU 31 3.966 -2.704 -0.852 218 HD23 LEU 31 2HD2 LEU 31 3.195 -1.167 -1.248 219 H LEU 32 H LEU 32 1.135 -5.632 -4.666 220 HA LEU 32 HA LEU 32 -0.266 -3.576 -5.968 221 HB2 LEU 32 1HB LEU 32 1.592 -5.036 -6.882 222 HB3 LEU 32 2HB LEU 32 0.427 -6.342 -7.036 223 HG LEU 32 HG LEU 32 -0.884 -4.864 -8.645 224 HD11 LEU 32 1HD1 LEU 32 -0.026 -2.681 -7.967 225 HD12 LEU 32 2HD1 LEU 32 0.273 -2.948 -9.680 226 HD13 LEU 32 3HD1 LEU 32 1.595 -3.111 -8.521 227 HD21 LEU 32 3HD2 LEU 32 1.961 -5.561 -9.478 228 HD22 LEU 32 1HD2 LEU 32 0.591 -5.299 -10.565 229 HD23 LEU 32 2HD2 LEU 32 0.586 -6.670 -9.459 230 H THR 33 H THR 33 -1.196 -6.883 -5.092 231 HA THR 33 HA THR 33 -3.767 -6.988 -6.286 232 HB THR 33 HB THR 33 -2.773 -8.523 -3.830 233 HG1 THR 33 HG1 THR 33 -1.493 -9.499 -5.188 234 HG21 THR 33 3HG2 THR 33 -4.396 -10.267 -4.526 235 HG22 THR 33 1HG2 THR 33 -4.948 -9.236 -5.850 236 HG23 THR 33 2HG2 THR 33 -5.225 -8.750 -4.176 237 H VAL 34 H VAL 34 -2.633 -6.063 -3.039 238 HA VAL 34 HA VAL 34 -5.085 -5.614 -1.755 239 HB VAL 34 HB VAL 34 -2.302 -4.439 -1.338 240 HG11 VAL 34 1HG1 VAL 34 -3.064 -3.490 0.833 241 HG12 VAL 34 2HG1 VAL 34 -4.733 -3.865 0.395 242 HG13 VAL 34 3HG1 VAL 34 -3.812 -2.695 -0.553 243 HG21 VAL 34 3HG2 VAL 34 -2.600 -6.821 -0.775 244 HG22 VAL 34 1HG2 VAL 34 -3.941 -6.423 0.301 245 HG23 VAL 34 2HG2 VAL 34 -2.306 -5.879 0.685 246 H LEU 35 H LEU 35 -3.049 -3.383 -3.635 247 HA LEU 35 HA LEU 35 -4.621 -1.057 -3.382 248 HB2 LEU 35 1HB LEU 35 -2.760 -1.885 -5.638 249 HB3 LEU 35 2HB LEU 35 -3.369 -0.254 -5.380 250 HG LEU 35 HG LEU 35 -1.571 -1.757 -3.441 251 HD11 LEU 35 1HD1 LEU 35 0.226 -0.251 -4.156 252 HD12 LEU 35 2HD1 LEU 35 -0.839 0.457 -5.372 253 HD13 LEU 35 3HD1 LEU 35 -0.363 -1.238 -5.493 254 HD21 LEU 35 3HD2 LEU 35 -3.011 -0.140 -2.283 255 HD22 LEU 35 1HD2 LEU 35 -2.478 1.145 -3.374 256 HD23 LEU 35 2HD2 LEU 35 -1.334 0.387 -2.265 257 H SER 36 H SER 36 -4.706 -3.715 -5.707 258 HA SER 36 HA SER 36 -6.516 -2.667 -7.581 259 HB2 SER 36 1HB SER 36 -5.116 -4.681 -7.977 260 HB3 SER 36 2HB SER 36 -6.082 -5.584 -6.816 261 HG SER 36 HG SER 36 -7.513 -4.328 -8.826 262 H VAL 37 H VAL 37 -7.032 -4.440 -4.577 263 HA VAL 37 HA VAL 37 -9.916 -4.582 -4.820 264 HB VAL 37 HB VAL 37 -8.137 -5.125 -2.385 265 HG11 VAL 37 1HG1 VAL 37 -11.028 -5.941 -2.902 266 HG12 VAL 37 2HG1 VAL 37 -10.467 -4.755 -1.723 267 HG13 VAL 37 3HG1 VAL 37 -10.050 -6.455 -1.522 268 HG21 VAL 37 3HG2 VAL 37 -7.524 -6.595 -4.267 269 HG22 VAL 37 1HG2 VAL 37 -9.206 -7.100 -4.456 270 HG23 VAL 37 2HG2 VAL 37 -8.310 -7.525 -2.994 271 H ALA 38 H ALA 38 -7.561 -2.429 -3.333 272 HA ALA 38 HA ALA 38 -9.436 -1.000 -1.641 273 HB1 ALA 38 3HB ALA 38 -7.496 0.408 -1.058 274 HB2 ALA 38 1HB ALA 38 -6.542 -0.375 -2.323 275 HB3 ALA 38 2HB ALA 38 -7.094 -1.307 -0.931 276 H SER 39 H SER 39 -8.548 -0.804 -4.951 277 HA SER 39 HA SER 39 -9.498 2.002 -5.196 278 HB2 SER 39 1HB SER 39 -7.823 0.402 -7.177 279 HB3 SER 39 2HB SER 39 -8.234 2.121 -7.285 280 HG SER 39 HG SER 39 -6.834 1.012 -5.095 281 H GLY 40 H GLY 40 -9.834 -1.291 -6.436 282 HA2 GLY 40 1HA GLY 40 -11.900 -2.194 -7.222 283 HA3 GLY 40 2HA GLY 40 -12.383 -0.592 -7.766 284 H VAL 41 H VAL 41 -9.734 -0.040 -8.985 285 HA VAL 41 HA VAL 41 -10.142 -1.122 -11.573 286 HB VAL 41 HB VAL 41 -8.058 0.048 -12.215 287 HG11 VAL 41 1HG1 VAL 41 -9.855 1.780 -10.489 288 HG12 VAL 41 2HG1 VAL 41 -10.155 1.315 -12.165 289 HG13 VAL 41 3HG1 VAL 41 -8.781 2.348 -11.775 290 HG21 VAL 41 3HG2 VAL 41 -6.687 -0.313 -10.211 291 HG22 VAL 41 1HG2 VAL 41 -7.750 0.736 -9.267 292 HG23 VAL 41 2HG2 VAL 41 -6.779 1.407 -10.583 293 HA PRO 42 HA PRO 42 -8.006 -5.080 -11.245 294 HB2 PRO 42 1HB PRO 42 -7.254 -4.542 -14.124 295 HB3 PRO 42 2HB PRO 42 -8.017 -5.971 -13.404 296 HG2 PRO 42 1HG PRO 42 -9.490 -4.245 -14.800 297 HG3 PRO 42 2HG PRO 42 -10.135 -4.949 -13.298 298 HD2 PRO 42 1HD PRO 42 -8.958 -2.205 -13.755 299 HD3 PRO 42 2HD PRO 42 -10.380 -2.674 -12.797 300 H LYS 43 H LYS 43 -5.905 -6.044 -11.369 301 HA LYS 43 HA LYS 43 -3.717 -4.426 -10.606 302 HB2 LYS 43 1HB LYS 43 -3.720 -7.308 -11.617 303 HB3 LYS 43 2HB LYS 43 -2.364 -6.521 -10.815 304 HG2 LYS 43 1HG LYS 43 -3.776 -6.256 -8.762 305 HG3 LYS 43 2HG LYS 43 -5.073 -7.132 -9.577 306 HD2 LYS 43 1HD LYS 43 -3.834 -8.632 -8.073 307 HD3 LYS 43 2HD LYS 43 -3.621 -9.134 -9.752 308 HE2 LYS 43 1HE LYS 43 -1.404 -8.049 -9.797 309 HE3 LYS 43 2HE LYS 43 -1.632 -7.512 -8.129 310 HZ1 LYS 43 3HZ LYS 43 -1.428 -10.313 -9.070 311 HZ2 LYS 43 1HZ LYS 43 -1.778 -9.860 -7.485 312 HZ3 LYS 43 2HZ LYS 43 -0.291 -9.461 -8.170 313 H GLU 44 H GLU 44 -4.766 -5.626 -13.732 314 HA GLU 44 HA GLU 44 -2.397 -5.119 -15.234 315 HB2 GLU 44 1HB GLU 44 -5.307 -5.287 -16.138 316 HB3 GLU 44 2HB GLU 44 -3.916 -5.294 -17.222 317 HG2 GLU 44 1HG GLU 44 -3.135 -7.422 -16.224 318 HG3 GLU 44 2HG GLU 44 -4.506 -7.406 -15.116 319 H GLU 45 H GLU 45 -4.829 -3.021 -13.976 320 HA GLU 45 HA GLU 45 -4.204 -0.778 -15.730 321 HB2 GLU 45 1HB GLU 45 -6.045 -0.949 -13.308 322 HB3 GLU 45 2HB GLU 45 -5.874 0.465 -14.343 323 HG2 GLU 45 1HG GLU 45 -6.946 -2.245 -15.198 324 HG3 GLU 45 2HG GLU 45 -7.905 -0.796 -14.882 325 H ILE 46 H ILE 46 -3.060 -2.096 -12.764 326 HA ILE 46 HA ILE 46 -1.990 0.487 -11.814 327 HB ILE 46 HB ILE 46 -2.067 -2.153 -10.279 328 HG12 ILE 46 1HG1 ILE 46 -4.035 0.192 -10.125 329 HG13 ILE 46 2HG1 ILE 46 -4.381 -1.388 -10.823 330 HG21 ILE 46 1HG2 ILE 46 -0.372 -0.537 -9.465 331 HG22 ILE 46 2HG2 ILE 46 -1.667 -0.727 -8.286 332 HG23 ILE 46 3HG2 ILE 46 -1.613 0.710 -9.311 333 HD11 ILE 46 3HD1 ILE 46 -5.348 -1.214 -8.644 334 HD12 ILE 46 1HD1 ILE 46 -3.789 -0.796 -7.933 335 HD13 ILE 46 2HD1 ILE 46 -4.049 -2.407 -8.610 336 H SER 47 H SER 47 -0.112 0.781 -12.947 337 HA SER 47 HA SER 47 2.097 -1.143 -12.667 338 HB2 SER 47 1HB SER 47 3.338 0.530 -14.052 339 HB3 SER 47 2HB SER 47 1.832 0.063 -14.835 340 HG SER 47 HG SER 47 2.203 2.345 -14.836 341 H ARG 48 H ARG 48 4.288 0.252 -11.957 342 HA ARG 48 HA ARG 48 3.638 1.363 -9.341 343 HB2 ARG 48 1HB ARG 48 5.998 1.397 -8.831 344 HB3 ARG 48 2HB ARG 48 5.521 -0.178 -9.447 345 HG2 ARG 48 1HG ARG 48 6.570 0.291 -11.589 346 HG3 ARG 48 2HG ARG 48 6.949 1.940 -11.082 347 HD2 ARG 48 1HD ARG 48 8.897 0.385 -10.921 348 HD3 ARG 48 2HD ARG 48 8.473 1.128 -9.375 349 HE ARG 48 HE ARG 48 7.594 -1.606 -10.109 350 HH11 ARG 48 1HH1 ARG 48 9.135 0.532 -7.752 351 HH12 ARG 48 2HH1 ARG 48 9.275 -0.722 -6.564 352 HH21 ARG 48 1HH2 ARG 48 7.783 -3.190 -8.514 353 HH22 ARG 48 2HH2 ARG 48 8.510 -2.808 -6.989 354 H ASP 49 H ASP 49 4.087 2.595 -12.459 355 HA ASP 49 HA ASP 49 4.634 5.348 -11.543 356 HB2 ASP 49 1HB ASP 49 4.376 4.131 -14.328 357 HB3 ASP 49 2HB ASP 49 4.575 5.857 -14.045 358 H SER 50 H SER 50 2.021 3.616 -11.212 359 HA SER 50 HA SER 50 0.073 5.023 -12.852 360 HB2 SER 50 1HB SER 50 -0.060 2.555 -12.429 361 HB3 SER 50 2HB SER 50 -0.373 2.886 -10.728 362 HG SER 50 HG SER 50 -2.337 3.708 -11.235 363 H ARG 51 H ARG 51 1.597 6.327 -10.428 364 HA ARG 51 HA ARG 51 1.255 8.110 -9.069 365 HB2 ARG 51 1HB ARG 51 -1.592 8.057 -10.165 366 HB3 ARG 51 2HB ARG 51 -0.941 9.361 -9.182 367 HG2 ARG 51 1HG ARG 51 0.633 8.720 -11.637 368 HG3 ARG 51 2HG ARG 51 -0.983 9.346 -11.932 369 HD2 ARG 51 1HD ARG 51 1.053 10.730 -10.163 370 HD3 ARG 51 2HD ARG 51 0.831 11.091 -11.880 371 HE ARG 51 HE ARG 51 -1.574 11.244 -10.249 372 HH11 ARG 51 1HH1 ARG 51 1.128 13.078 -11.552 373 HH12 ARG 51 2HH1 ARG 51 0.279 14.587 -11.501 374 HH21 ARG 51 1HH2 ARG 51 -2.669 13.212 -10.184 375 HH22 ARG 51 2HH2 ARG 51 -1.883 14.663 -10.724 376 H MET 52 H MET 52 0.123 8.826 -7.040 377 HA MET 52 HA MET 52 -1.453 6.676 -5.708 378 HB2 MET 52 1HB MET 52 0.390 8.683 -4.308 379 HB3 MET 52 2HB MET 52 -0.538 7.395 -3.543 380 HG2 MET 52 1HG MET 52 1.808 7.084 -5.407 381 HG3 MET 52 2HG MET 52 1.769 6.727 -3.685 382 HE1 MET 52 3HE MET 52 0.773 4.559 -2.651 383 HE2 MET 52 1HE MET 52 -0.279 3.443 -3.520 384 HE3 MET 52 2HE MET 52 -0.828 5.083 -3.176 385 H GLU 53 H GLU 53 -3.398 7.504 -6.364 386 HA GLU 53 HA GLU 53 -4.326 9.931 -4.941 387 HB2 GLU 53 1HB GLU 53 -5.037 9.251 -7.843 388 HB3 GLU 53 2HB GLU 53 -5.704 10.594 -6.915 389 HG2 GLU 53 1HG GLU 53 -3.498 11.652 -6.798 390 HG3 GLU 53 2HG GLU 53 -2.769 10.274 -7.616 391 H ASP 54 H ASP 54 -5.620 7.446 -7.119 392 HA ASP 54 HA ASP 54 -7.884 6.818 -5.420 393 HB2 ASP 54 1HB ASP 54 -6.949 5.438 -7.990 394 HB3 ASP 54 2HB ASP 54 -8.540 5.291 -7.241 395 H LEU 55 H LEU 55 -4.761 5.489 -6.246 396 HA LEU 55 HA LEU 55 -5.215 2.810 -5.439 397 HB2 LEU 55 1HB LEU 55 -2.576 4.247 -5.873 398 HB3 LEU 55 2HB LEU 55 -2.803 2.503 -5.799 399 HG LEU 55 HG LEU 55 -3.897 4.361 -7.948 400 HD11 LEU 55 1HD1 LEU 55 -1.496 3.952 -8.174 401 HD12 LEU 55 2HD1 LEU 55 -2.401 3.204 -9.483 402 HD13 LEU 55 3HD1 LEU 55 -1.777 2.211 -8.163 403 HD21 LEU 55 3HD2 LEU 55 -5.512 2.566 -7.548 404 HD22 LEU 55 1HD2 LEU 55 -4.241 1.351 -7.716 405 HD23 LEU 55 2HD2 LEU 55 -4.717 2.339 -9.100 406 H ALA 56 H ALA 56 -3.468 5.492 -3.876 407 HA ALA 56 HA ALA 56 -4.581 4.977 -1.354 408 HB1 ALA 56 3HB ALA 56 -1.637 4.213 -1.451 409 HB2 ALA 56 1HB ALA 56 -2.976 3.084 -1.254 410 HB3 ALA 56 2HB ALA 56 -2.651 4.289 -0.010 411 H PHE 57 H PHE 57 -5.021 7.108 -1.422 412 HA PHE 57 HA PHE 57 -3.096 8.889 -0.301 413 HB2 PHE 57 1HB PHE 57 -2.576 9.107 -2.769 414 HB3 PHE 57 2HB PHE 57 -4.218 9.665 -3.026 415 HD1 PHE 57 HD2 PHE 57 -4.935 11.904 -1.996 416 HD2 PHE 57 HD1 PHE 57 -0.850 10.626 -2.058 417 HE1 PHE 57 HE2 PHE 57 -4.204 14.208 -1.601 418 HE2 PHE 57 HE1 PHE 57 -0.132 12.949 -1.668 419 HZ PHE 57 HZ PHE 57 -1.809 14.738 -1.439 420 H ASP 58 H ASP 58 -6.234 8.484 -1.883 421 HA ASP 58 HA ASP 58 -7.798 10.316 -0.520 422 HB2 ASP 58 1HB ASP 58 -8.767 8.985 -2.293 423 HB3 ASP 58 2HB ASP 58 -8.448 7.482 -1.429 424 H SER 59 H SER 59 -8.797 10.363 1.471 425 HA SER 59 HA SER 59 -7.395 9.679 3.708 426 HB2 SER 59 1HB SER 59 -10.407 10.122 3.535 427 HB3 SER 59 2HB SER 59 -9.413 10.322 4.984 428 HG SER 59 HG SER 59 -8.210 11.899 3.645 429 H LEU 60 H LEU 60 -10.173 7.886 2.373 430 HA LEU 60 HA LEU 60 -10.205 5.984 4.566 431 HB2 LEU 60 1HB LEU 60 -11.796 6.018 1.977 432 HB3 LEU 60 2HB LEU 60 -12.074 4.926 3.327 433 HG LEU 60 HG LEU 60 -12.484 7.937 3.319 434 HD11 LEU 60 1HD1 LEU 60 -14.493 5.679 3.587 435 HD12 LEU 60 2HD1 LEU 60 -14.264 6.710 2.174 436 HD13 LEU 60 3HD1 LEU 60 -14.856 7.405 3.679 437 HD21 LEU 60 3HD2 LEU 60 -12.806 6.017 5.656 438 HD22 LEU 60 1HD2 LEU 60 -13.315 7.708 5.643 439 HD23 LEU 60 2HD2 LEU 60 -11.607 7.305 5.514 440 H VAL 61 H VAL 61 -8.842 6.107 1.336 441 HA VAL 61 HA VAL 61 -8.299 3.266 1.169 442 HB VAL 61 HB VAL 61 -6.919 5.460 -0.466 443 HG11 VAL 61 1HG1 VAL 61 -5.840 3.248 -0.602 444 HG12 VAL 61 2HG1 VAL 61 -6.596 3.658 -2.140 445 HG13 VAL 61 3HG1 VAL 61 -7.372 2.498 -1.057 446 HG21 VAL 61 3HG2 VAL 61 -8.644 5.095 -2.201 447 HG22 VAL 61 1HG2 VAL 61 -9.364 5.695 -0.708 448 HG23 VAL 61 2HG2 VAL 61 -9.509 3.986 -1.131 449 H VAL 62 H VAL 62 -6.653 6.098 2.410 450 HA VAL 62 HA VAL 62 -4.070 4.940 2.851 451 HB VAL 62 HB VAL 62 -5.457 7.389 4.053 452 HG11 VAL 62 1HG1 VAL 62 -3.889 6.582 5.756 453 HG12 VAL 62 2HG1 VAL 62 -3.270 8.063 5.027 454 HG13 VAL 62 3HG1 VAL 62 -2.589 6.498 4.566 455 HG21 VAL 62 3HG2 VAL 62 -4.811 7.560 1.678 456 HG22 VAL 62 1HG2 VAL 62 -3.140 7.153 2.085 457 HG23 VAL 62 2HG2 VAL 62 -3.855 8.660 2.670 458 H SER 63 H SER 63 -6.972 5.405 4.906 459 HA SER 63 HA SER 63 -5.934 4.133 7.229 460 HB2 SER 63 1HB SER 63 -8.338 4.072 7.973 461 HB3 SER 63 2HB SER 63 -7.832 5.662 7.413 462 HG SER 63 HG SER 63 -9.442 3.762 6.077 463 H GLU 64 H GLU 64 -7.659 2.954 4.375 464 HA GLU 64 HA GLU 64 -8.141 0.281 5.187 465 HB2 GLU 64 1HB GLU 64 -9.295 1.218 3.237 466 HB3 GLU 64 2HB GLU 64 -7.770 1.486 2.409 467 HG2 GLU 64 1HG GLU 64 -8.840 -0.426 1.412 468 HG3 GLU 64 2HG GLU 64 -7.425 -0.989 2.298 469 H LEU 65 H LEU 65 -5.438 1.812 3.437 470 HA LEU 65 HA LEU 65 -4.043 -0.604 2.888 471 HB2 LEU 65 1HB LEU 65 -3.742 1.428 1.505 472 HB3 LEU 65 2HB LEU 65 -2.977 2.243 2.864 473 HG LEU 65 HG LEU 65 -1.120 0.547 2.807 474 HD11 LEU 65 1HD1 LEU 65 -2.303 -1.350 1.801 475 HD12 LEU 65 2HD1 LEU 65 -0.858 -0.959 0.876 476 HD13 LEU 65 3HD1 LEU 65 -2.446 -0.478 0.272 477 HD21 LEU 65 3HD2 LEU 65 -1.540 2.001 0.176 478 HD22 LEU 65 1HD2 LEU 65 -0.001 1.405 0.803 479 HD23 LEU 65 2HD2 LEU 65 -0.854 2.694 1.647 480 H SER 66 H SER 66 -3.705 1.893 5.417 481 HA SER 66 HA SER 66 -1.447 0.829 6.729 482 HB2 SER 66 1HB SER 66 -3.760 2.472 7.828 483 HB3 SER 66 2HB SER 66 -2.255 2.149 8.702 484 HG SER 66 HG SER 66 -2.752 4.021 6.867 485 H LEU 67 H LEU 67 -4.926 0.351 7.344 486 HA LEU 67 HA LEU 67 -4.800 -1.481 9.452 487 HB2 LEU 67 1HB LEU 67 -6.876 -0.367 8.767 488 HB3 LEU 67 2HB LEU 67 -6.863 -1.218 7.233 489 HG LEU 67 HG LEU 67 -7.276 -3.373 8.407 490 HD11 LEU 67 1HD1 LEU 67 -7.392 -1.727 10.957 491 HD12 LEU 67 2HD1 LEU 67 -6.174 -2.936 10.540 492 HD13 LEU 67 3HD1 LEU 67 -7.843 -3.430 10.808 493 HD21 LEU 67 3HD2 LEU 67 -9.609 -2.952 9.073 494 HD22 LEU 67 1HD2 LEU 67 -9.198 -2.069 7.603 495 HD23 LEU 67 2HD2 LEU 67 -9.291 -1.216 9.145 496 H LYS 68 H LYS 68 -4.554 -1.943 5.967 497 HA LYS 68 HA LYS 68 -4.576 -4.789 5.945 498 HB2 LYS 68 1HB LYS 68 -4.830 -3.002 3.960 499 HB3 LYS 68 2HB LYS 68 -3.090 -3.215 3.819 500 HG2 LYS 68 1HG LYS 68 -4.042 -4.739 2.268 501 HG3 LYS 68 2HG LYS 68 -3.542 -5.737 3.630 502 HD2 LYS 68 1HD LYS 68 -5.764 -6.429 2.863 503 HD3 LYS 68 2HD LYS 68 -5.889 -5.720 4.475 504 HE2 LYS 68 1HE LYS 68 -6.565 -3.539 3.385 505 HE3 LYS 68 2HE LYS 68 -6.603 -4.387 1.839 506 HZ1 LYS 68 3HZ LYS 68 -8.799 -4.181 2.916 507 HZ2 LYS 68 1HZ LYS 68 -8.235 -5.110 4.206 508 HZ3 LYS 68 2HZ LYS 68 -8.353 -5.792 2.670 509 H LEU 69 H LEU 69 -1.940 -2.367 5.820 510 HA LEU 69 HA LEU 69 0.269 -4.011 5.509 511 HB2 LEU 69 1HB LEU 69 -0.012 -1.336 6.924 512 HB3 LEU 69 2HB LEU 69 1.549 -2.108 6.693 513 HG LEU 69 HG LEU 69 -0.287 -1.249 4.425 514 HD11 LEU 69 1HD1 LEU 69 2.192 0.147 5.477 515 HD12 LEU 69 2HD1 LEU 69 0.527 0.713 5.633 516 HD13 LEU 69 3HD1 LEU 69 1.269 0.604 4.039 517 HD21 LEU 69 3HD2 LEU 69 1.656 -1.633 2.966 518 HD22 LEU 69 1HD2 LEU 69 1.165 -3.114 3.784 519 HD23 LEU 69 2HD2 LEU 69 2.588 -2.232 4.342 520 H ARG 70 H ARG 70 -1.338 -3.014 8.489 521 HA ARG 70 HA ARG 70 0.567 -3.886 10.367 522 HB2 ARG 70 1HB ARG 70 -2.435 -3.426 10.652 523 HB3 ARG 70 2HB ARG 70 -1.334 -3.657 12.012 524 HG2 ARG 70 1HG ARG 70 -0.148 -1.619 11.526 525 HG3 ARG 70 2HG ARG 70 -0.959 -1.442 9.972 526 HD2 ARG 70 1HD ARG 70 -1.916 0.154 11.486 527 HD3 ARG 70 2HD ARG 70 -3.121 -1.106 11.213 528 HE ARG 70 HE ARG 70 -1.926 -1.981 13.449 529 HH11 ARG 70 1HH1 ARG 70 -3.146 1.232 12.675 530 HH12 ARG 70 2HH1 ARG 70 -3.559 1.589 14.317 531 HH21 ARG 70 1HH2 ARG 70 -2.498 -1.481 15.587 532 HH22 ARG 70 2HH2 ARG 70 -3.214 0.061 15.957 533 H LYS 71 H LYS 71 -2.170 -5.616 8.881 534 HA LYS 71 HA LYS 71 -1.533 -8.080 10.407 535 HB2 LYS 71 1HB LYS 71 -3.890 -7.248 8.667 536 HB3 LYS 71 2HB LYS 71 -3.649 -8.924 9.155 537 HG2 LYS 71 1HG LYS 71 -3.786 -8.292 11.516 538 HG3 LYS 71 2HG LYS 71 -3.967 -6.592 11.072 539 HD2 LYS 71 1HD LYS 71 -6.141 -6.948 10.151 540 HD3 LYS 71 2HD LYS 71 -5.928 -8.701 10.107 541 HE2 LYS 71 1HE LYS 71 -7.461 -7.960 11.915 542 HE3 LYS 71 2HE LYS 71 -6.058 -8.828 12.534 543 HZ1 LYS 71 3HZ LYS 71 -6.584 -6.882 13.848 544 HZ2 LYS 71 1HZ LYS 71 -6.376 -5.880 12.501 545 HZ3 LYS 71 2HZ LYS 71 -5.061 -6.734 13.136 546 H GLU 72 H GLU 72 -2.324 -7.273 7.057 547 HA GLU 72 HA GLU 72 -1.689 -9.608 5.779 548 HB2 GLU 72 1HB GLU 72 -2.913 -7.461 4.945 549 HB3 GLU 72 2HB GLU 72 -1.326 -6.886 4.475 550 HG2 GLU 72 1HG GLU 72 -2.264 -7.772 2.509 551 HG3 GLU 72 2HG GLU 72 -1.129 -9.009 3.050 552 H PHE 73 H PHE 73 0.519 -6.892 6.490 553 HA PHE 73 HA PHE 73 2.759 -8.320 5.142 554 HB2 PHE 73 1HB PHE 73 2.302 -5.310 5.289 555 HB3 PHE 73 2HB PHE 73 3.701 -6.095 4.552 556 HD1 PHE 73 HD1 PHE 73 3.226 -7.764 2.606 557 HD2 PHE 73 HD2 PHE 73 0.370 -4.874 3.952 558 HE1 PHE 73 HE1 PHE 73 2.004 -7.973 0.496 559 HE2 PHE 73 HE2 PHE 73 -0.840 -5.087 1.829 560 HZ PHE 73 HZ PHE 73 -0.028 -6.641 0.100 561 H GLY 74 H GLY 74 1.676 -7.005 8.106 562 HA2 GLY 74 1HA GLY 74 2.661 -6.884 10.182 563 HA3 GLY 74 2HA GLY 74 4.114 -7.599 9.503 564 H VAL 75 H VAL 75 3.026 -4.774 7.899 565 HA VAL 75 HA VAL 75 5.187 -3.124 9.032 566 HB VAL 75 HB VAL 75 3.349 -2.558 6.640 567 HG11 VAL 75 1HG1 VAL 75 4.976 -0.793 6.014 568 HG12 VAL 75 2HG1 VAL 75 5.887 -1.102 7.497 569 HG13 VAL 75 3HG1 VAL 75 4.241 -0.475 7.587 570 HG21 VAL 75 3HG2 VAL 75 5.279 -3.154 5.209 571 HG22 VAL 75 1HG2 VAL 75 4.760 -4.516 6.202 572 HG23 VAL 75 2HG2 VAL 75 6.210 -3.610 6.640 573 H THR 76 H THR 76 4.761 -1.282 10.266 574 HA THR 76 HA THR 76 2.264 -1.128 11.619 575 HB THR 76 HB THR 76 4.422 1.031 11.691 576 HG1 THR 76 HG1 THR 76 5.443 -0.288 13.275 577 HG21 THR 76 3HG2 THR 76 3.743 1.243 14.056 578 HG22 THR 76 1HG2 THR 76 2.553 -0.050 13.848 579 HG23 THR 76 2HG2 THR 76 2.354 1.485 12.999 580 H GLY 77 H GLY 77 0.843 0.796 11.768 581 HA2 GLY 77 1HA GLY 77 -0.179 1.593 9.243 582 HA3 GLY 77 2HA GLY 77 -0.717 2.157 10.813 583 H VAL 78 H VAL 78 1.437 2.766 8.138 584 HA VAL 78 HA VAL 78 2.574 5.215 9.311 585 HB VAL 78 HB VAL 78 4.123 5.134 7.313 586 HG11 VAL 78 1HG1 VAL 78 5.436 3.189 8.091 587 HG12 VAL 78 2HG1 VAL 78 4.037 2.597 8.990 588 HG13 VAL 78 3HG1 VAL 78 4.796 4.125 9.444 589 HG21 VAL 78 3HG2 VAL 78 2.752 2.474 6.681 590 HG22 VAL 78 1HG2 VAL 78 4.205 3.099 5.891 591 HG23 VAL 78 2HG2 VAL 78 2.666 3.937 5.698 592 H ASP 79 H ASP 79 -0.031 5.577 8.915 593 HA ASP 79 HA ASP 79 -1.207 6.250 6.543 594 HB2 ASP 79 1HB ASP 79 -1.598 7.575 9.266 595 HB3 ASP 79 2HB ASP 79 -2.690 7.796 7.904 596 H ASP 80 H ASP 80 0.838 8.340 8.483 597 HA ASP 80 HA ASP 80 0.443 10.832 7.244 598 HB2 ASP 80 1HB ASP 80 3.054 9.839 8.499 599 HB3 ASP 80 2HB ASP 80 2.530 11.511 8.334 600 H GLU 81 H GLU 81 2.932 8.364 6.749 601 HA GLU 81 HA GLU 81 4.270 9.702 4.604 602 HB2 GLU 81 1HB GLU 81 4.444 6.832 5.585 603 HB3 GLU 81 2HB GLU 81 5.566 7.579 4.447 604 HG2 GLU 81 1HG GLU 81 6.311 9.165 6.181 605 HG3 GLU 81 2HG GLU 81 5.137 8.494 7.315 606 H LEU 82 H LEU 82 1.630 7.381 4.784 607 HA LEU 82 HA LEU 82 1.620 6.570 2.050 608 HB2 LEU 82 1HB LEU 82 -0.684 6.665 4.033 609 HB3 LEU 82 2HB LEU 82 -0.751 5.888 2.458 610 HG LEU 82 HG LEU 82 0.972 5.033 4.813 611 HD11 LEU 82 1HD1 LEU 82 -1.382 3.648 3.499 612 HD12 LEU 82 2HD1 LEU 82 -1.394 4.459 5.067 613 HD13 LEU 82 3HD1 LEU 82 -0.412 3.014 4.834 614 HD21 LEU 82 3HD2 LEU 82 2.198 4.645 2.719 615 HD22 LEU 82 1HD2 LEU 82 0.818 3.771 2.054 616 HD23 LEU 82 2HD2 LEU 82 1.693 3.122 3.445 617 H ASP 83 H ASP 83 0.316 9.324 3.761 618 HA ASP 83 HA ASP 83 -1.141 10.431 1.518 619 HB2 ASP 83 1HB ASP 83 -1.831 10.919 3.827 620 HB3 ASP 83 2HB ASP 83 -0.266 11.647 4.178 621 H LEU 84 H LEU 84 2.153 10.619 2.760 622 HA LEU 84 HA LEU 84 2.886 12.791 0.929 623 HB2 LEU 84 1HB LEU 84 4.298 11.385 3.188 624 HB3 LEU 84 2HB LEU 84 5.279 12.178 1.973 625 HG LEU 84 HG LEU 84 4.991 13.681 3.873 626 HD11 LEU 84 1HD1 LEU 84 3.349 14.676 1.519 627 HD12 LEU 84 2HD1 LEU 84 5.109 14.712 1.640 628 HD13 LEU 84 3HD1 LEU 84 4.133 15.678 2.744 629 HD21 LEU 84 3HD2 LEU 84 1.988 13.461 3.441 630 HD22 LEU 84 1HD2 LEU 84 2.792 14.551 4.577 631 HD23 LEU 84 2HD2 LEU 84 2.896 12.808 4.807 632 H LEU 85 H LEU 85 2.208 9.761 0.226 633 HA LEU 85 HA LEU 85 4.482 9.040 -1.428 634 HB2 LEU 85 1HB LEU 85 1.636 7.981 -1.344 635 HB3 LEU 85 2HB LEU 85 2.897 7.320 -2.376 636 HG LEU 85 HG LEU 85 2.903 7.316 0.660 637 HD11 LEU 85 1HD1 LEU 85 2.649 4.878 0.443 638 HD12 LEU 85 2HD1 LEU 85 2.476 5.057 -1.305 639 HD13 LEU 85 3HD1 LEU 85 1.273 5.759 -0.220 640 HD21 LEU 85 3HD2 LEU 85 4.941 6.131 -1.253 641 HD22 LEU 85 1HD2 LEU 85 4.916 5.908 0.498 642 HD23 LEU 85 2HD2 LEU 85 5.195 7.508 -0.177 643 H GLU 86 H GLU 86 4.579 9.101 -3.675 644 HA GLU 86 HA GLU 86 2.804 11.073 -5.027 645 HB2 GLU 86 1HB GLU 86 5.198 11.804 -4.683 646 HB3 GLU 86 2HB GLU 86 5.722 10.429 -5.651 647 HG2 GLU 86 1HG GLU 86 4.451 11.343 -7.593 648 HG3 GLU 86 2HG GLU 86 4.010 12.747 -6.624 649 H THR 87 H THR 87 5.001 8.323 -5.730 650 HA THR 87 HA THR 87 3.065 7.251 -7.722 651 HB THR 87 HB THR 87 5.034 6.226 -8.880 652 HG1 THR 87 HG1 THR 87 7.145 7.113 -8.205 653 HG21 THR 87 3HG2 THR 87 4.229 8.433 -9.684 654 HG22 THR 87 1HG2 THR 87 5.980 8.287 -9.875 655 HG23 THR 87 2HG2 THR 87 5.312 9.243 -8.551 656 H VAL 88 H VAL 88 3.238 4.851 -7.962 657 HA VAL 88 HA VAL 88 2.869 3.622 -5.399 658 HB VAL 88 HB VAL 88 3.106 2.128 -8.021 659 HG11 VAL 88 1HG1 VAL 88 2.974 0.711 -6.034 660 HG12 VAL 88 2HG1 VAL 88 1.532 0.530 -7.032 661 HG13 VAL 88 3HG1 VAL 88 1.469 1.499 -5.556 662 HG21 VAL 88 3HG2 VAL 88 1.581 3.985 -8.439 663 HG22 VAL 88 1HG2 VAL 88 0.621 3.532 -7.030 664 HG23 VAL 88 2HG2 VAL 88 0.707 2.451 -8.425 665 H ASP 89 H ASP 89 5.534 3.863 -7.642 666 HA ASP 89 HA ASP 89 7.303 1.915 -6.710 667 HB2 ASP 89 1HB ASP 89 7.753 3.313 -8.686 668 HB3 ASP 89 2HB ASP 89 7.882 4.751 -7.676 669 H GLU 90 H GLU 90 6.788 5.276 -5.588 670 HA GLU 90 HA GLU 90 8.501 5.360 -3.390 671 HB2 GLU 90 1HB GLU 90 5.812 6.741 -3.804 672 HB3 GLU 90 2HB GLU 90 6.913 7.134 -2.487 673 HG2 GLU 90 1HG GLU 90 7.536 7.429 -5.441 674 HG3 GLU 90 2HG GLU 90 7.066 8.735 -4.352 675 H LEU 91 H LEU 91 5.153 4.137 -3.593 676 HA LEU 91 HA LEU 91 4.794 3.506 -0.855 677 HB2 LEU 91 1HB LEU 91 2.875 3.549 -2.315 678 HB3 LEU 91 2HB LEU 91 3.546 2.283 -3.330 679 HG LEU 91 HG LEU 91 3.257 0.632 -1.500 680 HD11 LEU 91 1HD1 LEU 91 1.995 2.872 0.110 681 HD12 LEU 91 2HD1 LEU 91 3.531 2.075 0.454 682 HD13 LEU 91 3HD1 LEU 91 2.029 1.162 0.560 683 HD21 LEU 91 3HD2 LEU 91 0.704 2.151 -2.081 684 HD22 LEU 91 1HD2 LEU 91 0.821 0.474 -1.539 685 HD23 LEU 91 2HD2 LEU 91 1.446 0.933 -3.122 686 H PHE 92 H PHE 92 5.970 1.467 -3.550 687 HA PHE 92 HA PHE 92 6.333 -0.925 -2.108 688 HB2 PHE 92 1HB PHE 92 7.456 0.131 -4.717 689 HB3 PHE 92 2HB PHE 92 8.110 -1.357 -4.043 690 HD1 PHE 92 HD2 PHE 92 4.587 -0.010 -4.363 691 HD2 PHE 92 HD1 PHE 92 7.306 -3.194 -5.243 692 HE1 PHE 92 HE2 PHE 92 2.765 -1.291 -5.400 693 HE2 PHE 92 HE1 PHE 92 5.473 -4.466 -6.271 694 HZ PHE 92 HZ PHE 92 3.199 -3.511 -6.360 695 H GLN 93 H GLN 93 8.438 1.883 -2.550 696 HA GLN 93 HA GLN 93 10.738 0.712 -1.259 697 HB2 GLN 93 1HB GLN 93 10.162 3.662 -1.788 698 HB3 GLN 93 2HB GLN 93 11.723 2.967 -1.352 699 HG2 GLN 93 1HG GLN 93 10.199 2.579 -3.938 700 HG3 GLN 93 2HG GLN 93 11.733 3.412 -3.716 701 HE21 GLN 93 2HE2 GLN 93 12.972 1.414 -2.047 702 HE22 GLN 93 1HE2 GLN 93 13.276 0.028 -3.027 703 H LEU 94 H LEU 94 8.023 2.720 -0.241 704 HA LEU 94 HA LEU 94 8.894 3.453 2.324 705 HB2 LEU 94 1HB LEU 94 6.904 4.408 1.075 706 HB3 LEU 94 2HB LEU 94 6.018 2.943 1.473 707 HG LEU 94 HG LEU 94 6.352 3.505 3.931 708 HD11 LEU 94 1HD1 LEU 94 6.959 5.820 4.543 709 HD12 LEU 94 2HD1 LEU 94 7.340 6.171 2.853 710 HD13 LEU 94 3HD1 LEU 94 8.289 4.982 3.746 711 HD21 LEU 94 3HD2 LEU 94 4.573 5.186 4.007 712 HD22 LEU 94 1HD2 LEU 94 4.228 3.967 2.785 713 HD23 LEU 94 2HD2 LEU 94 4.817 5.557 2.298 714 H VAL 95 H VAL 95 6.760 0.801 1.310 715 HA VAL 95 HA VAL 95 6.544 -0.558 3.765 716 HB VAL 95 HB VAL 95 6.291 -1.649 0.915 717 HG11 VAL 95 1HG1 VAL 95 5.293 -2.897 3.513 718 HG12 VAL 95 2HG1 VAL 95 6.591 -3.513 2.491 719 HG13 VAL 95 3HG1 VAL 95 4.937 -3.490 1.886 720 HG21 VAL 95 3HG2 VAL 95 3.853 -1.313 1.224 721 HG22 VAL 95 1HG2 VAL 95 4.738 0.206 1.371 722 HG23 VAL 95 2HG2 VAL 95 4.144 -0.611 2.819 723 H GLU 96 H GLU 96 8.966 -0.719 1.174 724 HA GLU 96 HA GLU 96 10.332 -3.068 1.836 725 HB2 GLU 96 1HB GLU 96 10.716 -1.835 -0.267 726 HB3 GLU 96 2HB GLU 96 11.434 -0.504 0.630 727 HG2 GLU 96 1HG GLU 96 13.221 -2.137 1.408 728 HG3 GLU 96 2HG GLU 96 12.563 -3.295 0.252 729 H LYS 97 H LYS 97 11.351 0.293 2.698 730 HA LYS 97 HA LYS 97 13.450 -0.513 4.416 731 HB2 LYS 97 1HB LYS 97 12.051 2.128 3.953 732 HB3 LYS 97 2HB LYS 97 13.075 1.977 5.372 733 HG2 LYS 97 1HG LYS 97 14.557 2.879 3.829 734 HG3 LYS 97 2HG LYS 97 14.911 1.160 3.702 735 HD2 LYS 97 1HD LYS 97 14.858 2.054 1.472 736 HD3 LYS 97 2HD LYS 97 13.406 1.070 1.673 737 HE2 LYS 97 1HE LYS 97 13.031 3.264 0.488 738 HE3 LYS 97 2HE LYS 97 12.022 3.027 1.914 739 HZ1 LYS 97 3HZ LYS 97 13.494 4.446 3.167 740 HZ2 LYS 97 1HZ LYS 97 12.932 5.253 1.795 741 HZ3 LYS 97 2HZ LYS 97 14.507 4.645 1.827 742 H HIS 98 H HIS 98 10.066 0.227 5.062 743 HA HIS 98 HA HIS 98 10.308 0.274 7.918 744 HB2 HIS 98 1HB HIS 98 7.928 0.252 6.029 745 HB3 HIS 98 2HB HIS 98 7.738 0.262 7.783 746 HD1 HIS 98 HD1 HIS 98 9.744 2.374 5.273 747 HD2 HIS 98 HD2 HIS 98 7.422 2.771 8.676 748 HE1 HIS 98 HE1 HIS 98 9.691 4.824 5.777 749 HE2 HIS 98 HE2 HIS 98 8.161 5.052 7.742 750 H ARG 99 H ARG 99 9.699 -2.283 5.600 751 HA ARG 99 HA ARG 99 8.945 -4.194 7.689 752 HB2 ARG 99 1HB ARG 99 7.877 -4.361 5.456 753 HB3 ARG 99 2HB ARG 99 9.443 -4.659 4.722 754 HG2 ARG 99 1HG ARG 99 8.189 -6.745 4.913 755 HG3 ARG 99 2HG ARG 99 9.613 -6.808 5.949 756 HD2 ARG 99 1HD ARG 99 6.870 -6.069 7.009 757 HD3 ARG 99 2HD ARG 99 7.417 -7.744 6.904 758 HE ARG 99 HE ARG 99 9.228 -6.022 8.340 759 HH11 ARG 99 1HH1 ARG 99 6.416 -8.113 8.737 760 HH12 ARG 99 2HH1 ARG 99 6.687 -8.317 10.439 761 HH21 ARG 99 1HH2 ARG 99 9.541 -6.310 10.559 762 HH22 ARG 99 2HH2 ARG 99 8.432 -7.291 11.467 763 H ALA 100 H ALA 100 11.749 -3.332 5.735 764 HA ALA 100 HA ALA 100 13.413 -5.557 6.436 765 HB1 ALA 100 3HB ALA 100 14.187 -2.845 5.302 766 HB2 ALA 100 1HB ALA 100 13.776 -4.283 4.367 767 HB3 ALA 100 2HB ALA 100 15.227 -4.273 5.369 768 H ALA 101 H ALA 101 12.758 -2.416 7.791 769 HA ALA 101 HA ALA 101 13.378 -1.251 9.616 770 HB1 ALA 101 3HB ALA 101 13.665 -2.529 11.709 771 HB2 ALA 101 1HB ALA 101 13.889 -4.019 10.783 772 HB3 ALA 101 2HB ALA 101 12.337 -3.180 10.747 773 H GLY 102 H GLY 102 15.338 -1.509 7.630 774 HA2 GLY 102 1HA GLY 102 17.911 -2.316 8.485 775 HA3 GLY 102 2HA GLY 102 17.562 -1.242 7.142 776 H SER 103 H SER 103 16.142 0.557 9.174 777 HA SER 103 HA SER 103 18.226 1.478 10.956 778 HB2 SER 103 1HB SER 103 18.693 2.614 8.721 779 HB3 SER 103 2HB SER 103 17.135 3.426 8.872 780 HG SER 103 HG SER 103 18.039 4.103 11.028 Start of MODEL 18 1 H1 MET 1 1H MET 1 4.744 48.291 -20.930 2 H2 MET 1 2H MET 1 6.166 47.511 -20.456 3 H3 MET 1 3H MET 1 4.666 46.845 -20.059 4 HA MET 1 HA MET 1 4.169 46.414 -22.339 5 HB2 MET 1 1HB MET 1 5.406 48.384 -23.262 6 HB3 MET 1 2HB MET 1 6.933 47.587 -22.907 7 HG2 MET 1 1HG MET 1 6.297 45.764 -24.499 8 HG3 MET 1 2HG MET 1 4.838 46.677 -24.898 9 HE1 MET 1 3HE MET 1 5.442 46.699 -27.507 10 HE2 MET 1 1HE MET 1 6.857 45.711 -27.135 11 HE3 MET 1 2HE MET 1 7.029 47.164 -28.118 12 H GLY 2 H GLY 2 4.137 44.360 -21.524 13 HA2 GLY 2 1HA GLY 2 5.712 42.328 -22.233 14 HA3 GLY 2 2HA GLY 2 6.601 42.929 -20.835 15 H SER 3 H SER 3 3.103 42.606 -21.490 16 HA SER 3 HA SER 3 2.556 41.599 -18.865 17 HB2 SER 3 1HB SER 3 0.211 41.340 -19.778 18 HB3 SER 3 2HB SER 3 0.880 42.960 -19.964 19 HG SER 3 HG SER 3 0.280 42.676 -21.973 20 H SER 4 H SER 4 2.901 39.571 -18.237 21 HA SER 4 HA SER 4 2.394 37.294 -20.025 22 HB2 SER 4 1HB SER 4 4.965 37.664 -18.413 23 HB3 SER 4 2HB SER 4 4.514 36.196 -19.280 24 HG SER 4 HG SER 4 4.282 38.137 -21.008 25 H HIS 5 H HIS 5 1.198 35.807 -19.023 26 HA HIS 5 HA HIS 5 1.353 35.388 -16.115 27 HB2 HIS 5 1HB HIS 5 -0.502 36.998 -16.382 28 HB3 HIS 5 2HB HIS 5 -1.234 35.993 -17.628 29 HD1 HIS 5 HD1 HIS 5 -3.077 34.572 -16.792 30 HD2 HIS 5 HD2 HIS 5 -0.376 35.454 -13.769 31 HE1 HIS 5 HE1 HIS 5 -4.017 33.518 -14.725 32 HE2 HIS 5 HE2 HIS 5 -2.319 33.977 -12.935 33 H ASP 6 H ASP 6 1.563 33.255 -15.805 34 HA ASP 6 HA ASP 6 0.492 31.342 -17.800 35 HB2 ASP 6 1HB ASP 6 3.103 31.844 -17.805 36 HB3 ASP 6 2HB ASP 6 3.127 30.840 -16.360 37 H HIS 7 H HIS 7 0.392 29.075 -16.834 38 HA HIS 7 HA HIS 7 -0.484 29.105 -14.006 39 HB2 HIS 7 1HB HIS 7 -2.400 29.487 -15.652 40 HB3 HIS 7 2HB HIS 7 -2.070 27.897 -16.326 41 HD1 HIS 7 HD1 HIS 7 -3.295 25.996 -15.259 42 HD2 HIS 7 HD2 HIS 7 -3.249 29.353 -12.817 43 HE1 HIS 7 HE1 HIS 7 -4.812 25.455 -13.340 44 HE2 HIS 7 HE2 HIS 7 -4.589 27.414 -11.785 45 H HIS 8 H HIS 8 1.934 28.021 -15.430 46 HA HIS 8 HA HIS 8 1.647 25.165 -15.555 47 HB2 HIS 8 1HB HIS 8 3.995 25.036 -16.093 48 HB3 HIS 8 2HB HIS 8 3.289 26.373 -16.991 49 HD1 HIS 8 HD1 HIS 8 6.083 25.505 -14.862 50 HD2 HIS 8 HD2 HIS 8 4.027 29.003 -15.759 51 HE1 HIS 8 HE1 HIS 8 7.576 27.384 -14.124 52 HE2 HIS 8 HE2 HIS 8 6.355 29.478 -14.761 53 H HIS 9 H HIS 9 0.737 24.789 -13.511 54 HA HIS 9 HA HIS 9 2.627 23.848 -11.548 55 HB2 HIS 9 1HB HIS 9 0.651 26.060 -10.823 56 HB3 HIS 9 2HB HIS 9 1.187 24.911 -9.605 57 HD1 HIS 9 HD1 HIS 9 2.141 28.057 -11.208 58 HD2 HIS 9 HD2 HIS 9 4.096 24.991 -9.199 59 HE1 HIS 9 HE1 HIS 9 4.382 28.989 -10.563 60 HE2 HIS 9 HE2 HIS 9 5.564 27.096 -9.401 61 H HIS 10 H HIS 10 -0.721 24.290 -12.612 62 HA HIS 10 HA HIS 10 -1.411 21.588 -11.625 63 HB2 HIS 10 1HB HIS 10 -3.023 23.464 -11.131 64 HB3 HIS 10 2HB HIS 10 -3.235 23.706 -12.863 65 HD1 HIS 10 HD1 HIS 10 -4.879 22.135 -14.045 66 HD2 HIS 10 HD2 HIS 10 -4.101 21.002 -10.140 67 HE1 HIS 10 HE1 HIS 10 -6.535 20.331 -13.531 68 HE2 HIS 10 HE2 HIS 10 -5.831 19.486 -11.273 69 H SER 11 H SER 11 -0.953 20.031 -13.023 70 HA SER 11 HA SER 11 -1.552 20.301 -15.904 71 HB2 SER 11 1HB SER 11 0.907 20.796 -15.510 72 HB3 SER 11 2HB SER 11 1.083 19.186 -14.810 73 HG SER 11 HG SER 11 0.419 19.882 -17.475 74 H SER 12 H SER 12 -2.988 19.077 -13.763 75 HA SER 12 HA SER 12 -2.528 16.340 -13.355 76 HB2 SER 12 1HB SER 12 -5.207 17.785 -13.272 77 HB3 SER 12 2HB SER 12 -4.787 16.285 -12.433 78 HG SER 12 HG SER 12 -3.191 17.520 -11.296 79 H GLY 13 H GLY 13 -2.653 14.717 -14.761 80 HA2 GLY 13 1HA GLY 13 -4.810 14.339 -16.616 81 HA3 GLY 13 2HA GLY 13 -3.301 14.772 -17.418 82 H ARG 14 H ARG 14 -4.444 12.425 -17.986 83 HA ARG 14 HA ARG 14 -3.350 10.244 -16.398 84 HB2 ARG 14 1HB ARG 14 -5.601 10.044 -17.332 85 HB3 ARG 14 2HB ARG 14 -5.000 10.329 -18.961 86 HG2 ARG 14 1HG ARG 14 -3.672 8.165 -18.744 87 HG3 ARG 14 2HG ARG 14 -4.527 7.882 -17.224 88 HD2 ARG 14 1HD ARG 14 -5.814 8.193 -19.960 89 HD3 ARG 14 2HD ARG 14 -5.596 6.679 -19.081 90 HE ARG 14 HE ARG 14 -7.206 7.405 -17.469 91 HH11 ARG 14 1HH1 ARG 14 -7.049 9.514 -20.269 92 HH12 ARG 14 2HH1 ARG 14 -8.611 10.204 -19.979 93 HH21 ARG 14 1HH2 ARG 14 -9.257 8.315 -17.126 94 HH22 ARG 14 2HH2 ARG 14 -9.860 9.525 -18.217 95 H GLU 15 H GLU 15 -1.295 9.545 -16.743 96 HA GLU 15 HA GLU 15 0.027 9.690 -19.329 97 HB2 GLU 15 1HB GLU 15 0.779 8.196 -16.777 98 HB3 GLU 15 2HB GLU 15 1.797 8.308 -18.211 99 HG2 GLU 15 1HG GLU 15 1.888 10.790 -17.909 100 HG3 GLU 15 2HG GLU 15 0.947 10.612 -16.427 101 H ASN 16 H ASN 16 0.073 8.056 -20.837 102 HA ASN 16 HA ASN 16 -2.080 6.123 -20.678 103 HB2 ASN 16 1HB ASN 16 -0.121 6.692 -22.943 104 HB3 ASN 16 2HB ASN 16 -1.554 5.673 -23.071 105 HD21 ASN 16 2HD2 ASN 16 -0.908 8.045 -24.591 106 HD22 ASN 16 1HD2 ASN 16 -2.177 9.183 -24.312 107 H LEU 17 H LEU 17 -1.054 4.921 -18.887 108 HA LEU 17 HA LEU 17 1.009 2.980 -19.675 109 HB2 LEU 17 1HB LEU 17 -0.157 3.838 -17.022 110 HB3 LEU 17 2HB LEU 17 0.516 2.226 -17.142 111 HG LEU 17 HG LEU 17 2.185 3.726 -16.203 112 HD11 LEU 17 1HD1 LEU 17 2.946 2.969 -19.043 113 HD12 LEU 17 2HD1 LEU 17 3.003 1.909 -17.634 114 HD13 LEU 17 3HD1 LEU 17 4.064 3.311 -17.719 115 HD21 LEU 17 3HD2 LEU 17 3.117 5.644 -17.426 116 HD22 LEU 17 1HD2 LEU 17 1.398 5.870 -17.109 117 HD23 LEU 17 2HD2 LEU 17 1.942 5.410 -18.723 118 H TYR 18 H TYR 18 0.100 1.519 -20.936 119 HA TYR 18 HA TYR 18 -2.500 0.319 -20.482 120 HB2 TYR 18 1HB TYR 18 -0.264 -0.461 -22.440 121 HB3 TYR 18 2HB TYR 18 -1.907 -1.098 -22.456 122 HD1 TYR 18 HD1 TYR 18 -0.041 2.166 -22.717 123 HD2 TYR 18 HD2 TYR 18 -3.505 -0.053 -23.883 124 HE1 TYR 18 HE1 TYR 18 -0.688 3.972 -24.240 125 HE2 TYR 18 HE2 TYR 18 -4.152 1.762 -25.403 126 HH TYR 18 HH TYR 18 -2.021 4.315 -26.226 127 H PHE 19 H PHE 19 0.733 -1.110 -20.884 128 HA PHE 19 HA PHE 19 1.890 -2.778 -19.980 129 HB2 PHE 19 1HB PHE 19 1.761 -1.450 -17.899 130 HB3 PHE 19 2HB PHE 19 0.246 -2.239 -17.472 131 HD1 PHE 19 HD1 PHE 19 3.869 -2.929 -18.123 132 HD2 PHE 19 HD2 PHE 19 0.279 -4.295 -16.223 133 HE1 PHE 19 HE1 PHE 19 5.129 -4.725 -17.011 134 HE2 PHE 19 HE2 PHE 19 1.557 -6.083 -15.115 135 HZ PHE 19 HZ PHE 19 3.980 -6.299 -15.509 136 H GLN 20 H GLN 20 1.876 -4.994 -19.941 137 HA GLN 20 HA GLN 20 -0.632 -6.447 -19.464 138 HB2 GLN 20 1HB GLN 20 -0.264 -6.038 -21.996 139 HB3 GLN 20 2HB GLN 20 1.130 -7.100 -21.885 140 HG2 GLN 20 1HG GLN 20 -1.678 -7.967 -21.098 141 HG3 GLN 20 2HG GLN 20 -1.048 -8.136 -22.731 142 HE21 GLN 20 2HE2 GLN 20 -1.923 -10.159 -20.715 143 HE22 GLN 20 1HE2 GLN 20 -0.589 -11.248 -20.557 144 H GLY 21 H GLY 21 -0.191 -7.807 -17.889 145 HA2 GLY 21 1HA GLY 21 1.568 -9.887 -17.795 146 HA3 GLY 21 2HA GLY 21 2.494 -8.542 -17.108 147 H HIS 22 H HIS 22 2.233 -10.473 -15.445 148 HA HIS 22 HA HIS 22 0.060 -9.750 -13.558 149 HB2 HIS 22 1HB HIS 22 -0.411 -11.976 -14.413 150 HB3 HIS 22 2HB HIS 22 1.255 -12.485 -14.166 151 HD1 HIS 22 HD1 HIS 22 1.788 -13.567 -11.972 152 HD2 HIS 22 HD2 HIS 22 -1.868 -11.600 -11.892 153 HE1 HIS 22 HE1 HIS 22 0.774 -14.131 -9.754 154 HE2 HIS 22 HE2 HIS 22 -1.293 -12.696 -9.626 155 H MET 23 H MET 23 3.420 -9.837 -14.084 156 HA MET 23 HA MET 23 5.342 -10.020 -12.909 157 HB2 MET 23 1HB MET 23 3.570 -9.412 -10.490 158 HB3 MET 23 2HB MET 23 5.320 -9.546 -10.397 159 HG2 MET 23 1HG MET 23 4.683 -7.215 -10.469 160 HG3 MET 23 2HG MET 23 5.534 -7.637 -11.955 161 HE1 MET 23 3HE MET 23 2.851 -4.867 -12.971 162 HE2 MET 23 1HE MET 23 4.574 -5.236 -12.902 163 HE3 MET 23 2HE MET 23 3.663 -4.990 -11.410 164 HA PRO 24 HA PRO 24 5.656 -14.346 -11.558 165 HB2 PRO 24 1HB PRO 24 7.242 -13.620 -9.101 166 HB3 PRO 24 2HB PRO 24 7.632 -14.753 -10.407 167 HG2 PRO 24 1HG PRO 24 8.844 -12.366 -10.284 168 HG3 PRO 24 2HG PRO 24 8.353 -13.047 -11.851 169 HD2 PRO 24 1HD PRO 24 6.997 -10.909 -10.202 170 HD3 PRO 24 2HD PRO 24 7.268 -10.971 -11.957 171 H ASN 25 H ASN 25 5.891 -13.380 -8.169 172 HA ASN 25 HA ASN 25 3.265 -13.417 -7.271 173 HB2 ASN 25 1HB ASN 25 2.921 -15.723 -6.451 174 HB3 ASN 25 2HB ASN 25 3.142 -15.748 -8.190 175 HD21 ASN 25 2HD2 ASN 25 4.472 -16.699 -5.137 176 HD22 ASN 25 1HD2 ASN 25 5.740 -17.693 -5.761 177 H ASP 26 H ASP 26 5.899 -12.365 -6.840 178 HA ASP 26 HA ASP 26 7.166 -13.589 -4.565 179 HB2 ASP 26 1HB ASP 26 8.881 -11.758 -4.930 180 HB3 ASP 26 2HB ASP 26 8.588 -12.773 -6.335 181 H MET 27 H MET 27 5.864 -10.315 -5.190 182 HA MET 27 HA MET 27 4.940 -9.756 -2.592 183 HB2 MET 27 1HB MET 27 7.336 -9.862 -1.990 184 HB3 MET 27 2HB MET 27 7.732 -8.691 -3.233 185 HG2 MET 27 1HG MET 27 5.857 -7.964 -0.992 186 HG3 MET 27 2HG MET 27 7.603 -7.921 -0.752 187 HE1 MET 27 3HE MET 27 8.811 -6.839 -3.462 188 HE2 MET 27 1HE MET 27 9.228 -6.169 -1.883 189 HE3 MET 27 2HE MET 27 8.748 -5.096 -3.200 190 H GLU 28 H GLU 28 6.414 -8.517 -5.574 191 HA GLU 28 HA GLU 28 5.244 -5.983 -5.635 192 HB2 GLU 28 1HB GLU 28 7.089 -6.685 -7.140 193 HB3 GLU 28 2HB GLU 28 5.988 -7.757 -8.000 194 HG2 GLU 28 1HG GLU 28 4.722 -5.906 -8.867 195 HG3 GLU 28 2HG GLU 28 5.560 -4.756 -7.829 196 H ASP 29 H ASP 29 4.116 -8.992 -7.153 197 HA ASP 29 HA ASP 29 1.612 -8.333 -8.082 198 HB2 ASP 29 1HB ASP 29 2.458 -10.546 -8.476 199 HB3 ASP 29 2HB ASP 29 2.679 -10.859 -6.760 200 H HIS 30 H HIS 30 2.584 -8.955 -4.736 201 HA HIS 30 HA HIS 30 -0.058 -9.198 -3.650 202 HB2 HIS 30 1HB HIS 30 2.565 -8.731 -2.167 203 HB3 HIS 30 2HB HIS 30 1.051 -9.293 -1.452 204 HD1 HIS 30 HD1 HIS 30 0.984 -11.164 -4.381 205 HD2 HIS 30 HD2 HIS 30 3.443 -11.320 -1.027 206 HE1 HIS 30 HE1 HIS 30 2.045 -13.424 -4.421 207 HE2 HIS 30 HE2 HIS 30 3.518 -13.509 -2.392 208 H LEU 31 H LEU 31 2.326 -6.510 -3.794 209 HA LEU 31 HA LEU 31 0.723 -4.667 -2.284 210 HB2 LEU 31 1HB LEU 31 3.124 -4.300 -4.084 211 HB3 LEU 31 2HB LEU 31 2.200 -2.892 -3.588 212 HG LEU 31 HG LEU 31 2.613 -3.538 -1.174 213 HD11 LEU 31 1HD1 LEU 31 4.545 -5.532 -2.366 214 HD12 LEU 31 2HD1 LEU 31 3.079 -5.902 -1.457 215 HD13 LEU 31 3HD1 LEU 31 4.427 -5.097 -0.656 216 HD21 LEU 31 3HD2 LEU 31 5.099 -2.988 -2.834 217 HD22 LEU 31 1HD2 LEU 31 4.925 -2.697 -1.100 218 HD23 LEU 31 2HD2 LEU 31 3.952 -1.783 -2.249 219 H LEU 32 H LEU 32 0.948 -5.465 -5.716 220 HA LEU 32 HA LEU 32 -0.872 -3.519 -6.682 221 HB2 LEU 32 1HB LEU 32 0.204 -6.128 -7.722 222 HB3 LEU 32 2HB LEU 32 -1.261 -5.521 -8.471 223 HG LEU 32 HG LEU 32 -0.073 -3.409 -9.069 224 HD11 LEU 32 1HD1 LEU 32 1.646 -3.362 -7.321 225 HD12 LEU 32 2HD1 LEU 32 2.356 -3.220 -8.926 226 HD13 LEU 32 3HD1 LEU 32 2.447 -4.754 -8.055 227 HD21 LEU 32 3HD2 LEU 32 -0.258 -5.222 -10.702 228 HD22 LEU 32 1HD2 LEU 32 1.248 -5.936 -10.116 229 HD23 LEU 32 2HD2 LEU 32 1.262 -4.357 -10.906 230 H THR 33 H THR 33 -1.341 -6.685 -5.171 231 HA THR 33 HA THR 33 -4.169 -6.870 -5.608 232 HB THR 33 HB THR 33 -2.533 -8.257 -3.424 233 HG1 THR 33 HG1 THR 33 -2.068 -8.505 -5.880 234 HG21 THR 33 3HG2 THR 33 -4.982 -8.423 -3.058 235 HG22 THR 33 1HG2 THR 33 -4.305 -9.987 -3.516 236 HG23 THR 33 2HG2 THR 33 -5.190 -9.030 -4.703 237 H VAL 34 H VAL 34 -2.119 -5.668 -2.977 238 HA VAL 34 HA VAL 34 -4.054 -5.011 -1.065 239 HB VAL 34 HB VAL 34 -1.298 -3.827 -1.647 240 HG11 VAL 34 1HG1 VAL 34 -3.075 -3.121 0.708 241 HG12 VAL 34 2HG1 VAL 34 -2.552 -2.036 -0.577 242 HG13 VAL 34 3HG1 VAL 34 -1.369 -2.688 0.556 243 HG21 VAL 34 3HG2 VAL 34 -2.257 -5.647 0.606 244 HG22 VAL 34 1HG2 VAL 34 -0.606 -5.051 0.394 245 HG23 VAL 34 2HG2 VAL 34 -1.312 -6.143 -0.797 246 H LEU 35 H LEU 35 -2.628 -3.010 -3.651 247 HA LEU 35 HA LEU 35 -4.299 -0.734 -3.289 248 HB2 LEU 35 1HB LEU 35 -2.656 -1.642 -5.675 249 HB3 LEU 35 2HB LEU 35 -3.459 -0.082 -5.580 250 HG LEU 35 HG LEU 35 -1.223 -1.017 -3.733 251 HD11 LEU 35 1HD1 LEU 35 -0.387 -0.602 -5.992 252 HD12 LEU 35 2HD1 LEU 35 0.176 0.652 -4.892 253 HD13 LEU 35 3HD1 LEU 35 -1.147 0.992 -6.010 254 HD21 LEU 35 3HD2 LEU 35 -2.762 0.519 -2.579 255 HD22 LEU 35 1HD2 LEU 35 -2.591 1.696 -3.886 256 HD23 LEU 35 2HD2 LEU 35 -1.205 1.286 -2.872 257 H SER 36 H SER 36 -4.679 -3.724 -5.082 258 HA SER 36 HA SER 36 -6.691 -2.894 -6.881 259 HB2 SER 36 1HB SER 36 -5.382 -4.979 -7.215 260 HB3 SER 36 2HB SER 36 -6.186 -5.708 -5.828 261 HG SER 36 HG SER 36 -7.847 -4.664 -7.796 262 H VAL 37 H VAL 37 -6.792 -4.184 -3.610 263 HA VAL 37 HA VAL 37 -9.711 -4.251 -3.521 264 HB VAL 37 HB VAL 37 -7.709 -4.824 -1.274 265 HG11 VAL 37 1HG1 VAL 37 -9.590 -6.067 -0.221 266 HG12 VAL 37 2HG1 VAL 37 -10.663 -5.534 -1.519 267 HG13 VAL 37 3HG1 VAL 37 -9.955 -4.351 -0.419 268 HG21 VAL 37 3HG2 VAL 37 -7.326 -6.363 -3.165 269 HG22 VAL 37 1HG2 VAL 37 -9.037 -6.800 -3.187 270 HG23 VAL 37 2HG2 VAL 37 -8.030 -7.230 -1.801 271 H ALA 38 H ALA 38 -7.072 -2.144 -2.506 272 HA ALA 38 HA ALA 38 -8.614 -0.571 -0.615 273 HB1 ALA 38 3HB ALA 38 -6.604 0.840 -0.456 274 HB2 ALA 38 1HB ALA 38 -5.892 0.014 -1.849 275 HB3 ALA 38 2HB ALA 38 -6.171 -0.866 -0.346 276 H SER 39 H SER 39 -7.907 -0.382 -4.051 277 HA SER 39 HA SER 39 -9.001 2.369 -4.236 278 HB2 SER 39 1HB SER 39 -7.295 0.917 -6.302 279 HB3 SER 39 2HB SER 39 -7.742 2.629 -6.302 280 HG SER 39 HG SER 39 -6.085 1.279 -4.436 281 H GLY 40 H GLY 40 -9.465 -0.944 -5.251 282 HA2 GLY 40 1HA GLY 40 -11.555 -1.799 -5.956 283 HA3 GLY 40 2HA GLY 40 -12.000 -0.219 -6.583 284 H VAL 41 H VAL 41 -9.292 0.022 -7.938 285 HA VAL 41 HA VAL 41 -9.990 -1.159 -10.447 286 HB VAL 41 HB VAL 41 -7.887 -0.146 -11.281 287 HG11 VAL 41 1HG1 VAL 41 -9.493 1.760 -9.548 288 HG12 VAL 41 2HG1 VAL 41 -9.902 1.246 -11.186 289 HG13 VAL 41 3HG1 VAL 41 -8.461 2.223 -10.907 290 HG21 VAL 41 3HG2 VAL 41 -6.434 1.218 -9.801 291 HG22 VAL 41 1HG2 VAL 41 -6.417 -0.483 -9.335 292 HG23 VAL 41 2HG2 VAL 41 -7.357 0.680 -8.397 293 HA PRO 42 HA PRO 42 -7.824 -5.078 -9.828 294 HB2 PRO 42 1HB PRO 42 -7.516 -5.903 -12.425 295 HB3 PRO 42 2HB PRO 42 -9.077 -5.923 -11.593 296 HG2 PRO 42 1HG PRO 42 -7.977 -3.855 -13.499 297 HG3 PRO 42 2HG PRO 42 -9.589 -4.604 -13.469 298 HD2 PRO 42 1HD PRO 42 -9.132 -2.140 -12.419 299 HD3 PRO 42 2HD PRO 42 -10.327 -3.250 -11.712 300 H LYS 43 H LYS 43 -5.748 -6.182 -10.422 301 HA LYS 43 HA LYS 43 -3.550 -4.500 -9.921 302 HB2 LYS 43 1HB LYS 43 -3.455 -7.338 -11.019 303 HB3 LYS 43 2HB LYS 43 -2.154 -6.506 -10.173 304 HG2 LYS 43 1HG LYS 43 -3.581 -6.476 -8.112 305 HG3 LYS 43 2HG LYS 43 -4.799 -7.405 -8.989 306 HD2 LYS 43 1HD LYS 43 -1.969 -8.303 -8.299 307 HD3 LYS 43 2HD LYS 43 -3.472 -8.922 -7.616 308 HE2 LYS 43 1HE LYS 43 -2.550 -9.240 -10.498 309 HE3 LYS 43 2HE LYS 43 -2.567 -10.495 -9.261 310 HZ1 LYS 43 3HZ LYS 43 -4.935 -9.137 -10.426 311 HZ2 LYS 43 1HZ LYS 43 -4.995 -10.264 -9.167 312 HZ3 LYS 43 2HZ LYS 43 -4.450 -10.731 -10.695 313 H GLU 44 H GLU 44 -4.979 -5.486 -12.889 314 HA GLU 44 HA GLU 44 -2.738 -5.306 -14.644 315 HB2 GLU 44 1HB GLU 44 -5.722 -5.170 -15.264 316 HB3 GLU 44 2HB GLU 44 -4.453 -5.365 -16.464 317 HG2 GLU 44 1HG GLU 44 -5.380 -7.520 -16.147 318 HG3 GLU 44 2HG GLU 44 -3.830 -7.544 -15.313 319 H GLU 45 H GLU 45 -5.082 -3.027 -13.417 320 HA GLU 45 HA GLU 45 -4.391 -0.827 -15.169 321 HB2 GLU 45 1HB GLU 45 -5.934 -0.803 -12.539 322 HB3 GLU 45 2HB GLU 45 -5.881 0.505 -13.715 323 HG2 GLU 45 1HG GLU 45 -7.113 -2.233 -14.147 324 HG3 GLU 45 2HG GLU 45 -7.992 -0.738 -13.835 325 H ILE 46 H ILE 46 -2.885 -2.284 -12.563 326 HA ILE 46 HA ILE 46 -1.608 0.186 -11.540 327 HB ILE 46 HB ILE 46 -1.705 -2.544 -10.158 328 HG12 ILE 46 1HG1 ILE 46 -3.637 -0.209 -9.672 329 HG13 ILE 46 2HG1 ILE 46 -4.047 -1.681 -10.539 330 HG21 ILE 46 1HG2 ILE 46 -1.143 0.243 -9.040 331 HG22 ILE 46 2HG2 ILE 46 0.054 -1.016 -9.341 332 HG23 ILE 46 3HG2 ILE 46 -1.178 -1.256 -8.104 333 HD11 ILE 46 3HD1 ILE 46 -3.271 -1.509 -7.635 334 HD12 ILE 46 1HD1 ILE 46 -3.689 -2.985 -8.509 335 HD13 ILE 46 2HD1 ILE 46 -4.897 -1.721 -8.279 336 H SER 47 H SER 47 0.616 0.265 -11.451 337 HA SER 47 HA SER 47 2.289 -2.082 -11.956 338 HB2 SER 47 1HB SER 47 3.727 -0.719 -13.548 339 HB3 SER 47 2HB SER 47 2.135 -1.106 -14.199 340 HG SER 47 HG SER 47 1.511 0.963 -13.952 341 H ARG 48 H ARG 48 4.544 -1.653 -11.167 342 HA ARG 48 HA ARG 48 4.417 -0.342 -8.646 343 HB2 ARG 48 1HB ARG 48 6.629 -1.067 -8.200 344 HB3 ARG 48 2HB ARG 48 5.868 -2.355 -9.120 345 HG2 ARG 48 1HG ARG 48 7.097 -1.744 -11.114 346 HG3 ARG 48 2HG ARG 48 7.741 -0.298 -10.329 347 HD2 ARG 48 1HD ARG 48 8.895 -1.771 -8.668 348 HD3 ARG 48 2HD ARG 48 8.325 -3.177 -9.572 349 HE ARG 48 HE ARG 48 9.602 -2.181 -11.513 350 HH11 ARG 48 1HH1 ARG 48 10.592 -1.581 -8.215 351 HH12 ARG 48 2HH1 ARG 48 12.272 -1.450 -8.608 352 HH21 ARG 48 1HH2 ARG 48 11.832 -1.994 -12.020 353 HH22 ARG 48 2HH2 ARG 48 12.968 -1.654 -10.761 354 H ASP 49 H ASP 49 5.422 0.752 -11.796 355 HA ASP 49 HA ASP 49 6.143 3.372 -10.617 356 HB2 ASP 49 1HB ASP 49 7.949 2.393 -12.033 357 HB3 ASP 49 2HB ASP 49 6.842 2.353 -13.406 358 H SER 50 H SER 50 4.121 4.138 -10.336 359 HA SER 50 HA SER 50 2.731 5.215 -12.616 360 HB2 SER 50 1HB SER 50 1.736 2.913 -12.499 361 HB3 SER 50 2HB SER 50 1.249 3.217 -10.832 362 HG SER 50 HG SER 50 -0.053 3.823 -13.063 363 H ARG 51 H ARG 51 0.983 6.655 -11.921 364 HA ARG 51 HA ARG 51 1.714 8.139 -9.521 365 HB2 ARG 51 1HB ARG 51 -0.277 8.686 -11.767 366 HB3 ARG 51 2HB ARG 51 -0.024 9.774 -10.408 367 HG2 ARG 51 1HG ARG 51 2.065 8.994 -12.460 368 HG3 ARG 51 2HG ARG 51 1.181 10.520 -12.407 369 HD2 ARG 51 1HD ARG 51 3.159 9.499 -10.341 370 HD3 ARG 51 2HD ARG 51 3.396 10.840 -11.468 371 HE ARG 51 HE ARG 51 1.116 11.397 -9.937 372 HH11 ARG 51 1HH1 ARG 51 4.599 11.141 -9.423 373 HH12 ARG 51 2HH1 ARG 51 4.578 12.209 -8.055 374 HH21 ARG 51 1HH2 ARG 51 1.131 12.765 -8.137 375 HH22 ARG 51 2HH2 ARG 51 2.628 13.124 -7.331 376 H MET 52 H MET 52 0.662 8.041 -7.647 377 HA MET 52 HA MET 52 -1.848 6.571 -7.307 378 HB2 MET 52 1HB MET 52 0.161 7.779 -5.358 379 HB3 MET 52 2HB MET 52 -1.380 7.127 -4.819 380 HG2 MET 52 1HG MET 52 -0.773 4.916 -5.626 381 HG3 MET 52 2HG MET 52 0.735 5.544 -6.300 382 HE1 MET 52 3HE MET 52 1.200 3.115 -4.570 383 HE2 MET 52 1HE MET 52 -0.338 3.320 -3.725 384 HE3 MET 52 2HE MET 52 1.175 3.301 -2.819 385 H GLU 53 H GLU 53 -2.457 8.567 -8.850 386 HA GLU 53 HA GLU 53 -3.310 10.995 -7.597 387 HB2 GLU 53 1HB GLU 53 -4.324 9.713 -10.178 388 HB3 GLU 53 2HB GLU 53 -4.533 11.395 -9.701 389 HG2 GLU 53 1HG GLU 53 -1.932 10.020 -10.425 390 HG3 GLU 53 2HG GLU 53 -2.792 11.231 -11.372 391 H ASP 54 H ASP 54 -4.518 7.826 -7.652 392 HA ASP 54 HA ASP 54 -6.912 8.563 -6.136 393 HB2 ASP 54 1HB ASP 54 -7.679 8.294 -8.458 394 HB3 ASP 54 2HB ASP 54 -6.897 6.721 -8.570 395 H LEU 55 H LEU 55 -4.384 6.300 -6.928 396 HA LEU 55 HA LEU 55 -5.475 4.000 -5.635 397 HB2 LEU 55 1HB LEU 55 -2.643 4.454 -6.641 398 HB3 LEU 55 2HB LEU 55 -3.325 2.913 -6.142 399 HG LEU 55 HG LEU 55 -5.133 3.472 -8.050 400 HD11 LEU 55 1HD1 LEU 55 -4.163 4.581 -10.009 401 HD12 LEU 55 2HD1 LEU 55 -2.723 4.991 -9.073 402 HD13 LEU 55 3HD1 LEU 55 -4.287 5.678 -8.633 403 HD21 LEU 55 3HD2 LEU 55 -2.384 2.355 -8.673 404 HD22 LEU 55 1HD2 LEU 55 -3.845 2.127 -9.643 405 HD23 LEU 55 2HD2 LEU 55 -3.763 1.462 -8.016 406 H ALA 56 H ALA 56 -3.813 6.671 -4.371 407 HA ALA 56 HA ALA 56 -3.996 5.586 -1.703 408 HB1 ALA 56 3HB ALA 56 -1.635 5.959 -1.058 409 HB2 ALA 56 1HB ALA 56 -1.240 6.389 -2.726 410 HB3 ALA 56 2HB ALA 56 -1.747 4.747 -2.338 411 H PHE 57 H PHE 57 -5.268 7.678 -3.171 412 HA PHE 57 HA PHE 57 -3.976 10.182 -2.304 413 HB2 PHE 57 1HB PHE 57 -4.557 9.891 -4.731 414 HB3 PHE 57 2HB PHE 57 -6.257 9.811 -4.283 415 HD1 PHE 57 HD1 PHE 57 -3.272 12.016 -4.419 416 HD2 PHE 57 HD2 PHE 57 -7.505 11.853 -3.802 417 HE1 PHE 57 HE1 PHE 57 -3.391 14.470 -4.553 418 HE2 PHE 57 HE2 PHE 57 -7.612 14.303 -3.943 419 HZ PHE 57 HZ PHE 57 -5.561 15.614 -4.316 420 H ASP 58 H ASP 58 -7.337 8.914 -2.537 421 HA ASP 58 HA ASP 58 -8.435 10.888 -0.809 422 HB2 ASP 58 1HB ASP 58 -9.813 9.759 -2.489 423 HB3 ASP 58 2HB ASP 58 -9.575 8.203 -1.702 424 H SER 59 H SER 59 -9.366 10.644 1.250 425 HA SER 59 HA SER 59 -7.755 9.716 3.275 426 HB2 SER 59 1HB SER 59 -10.764 10.137 3.466 427 HB3 SER 59 2HB SER 59 -9.577 10.312 4.767 428 HG SER 59 HG SER 59 -9.232 12.269 4.102 429 H LEU 60 H LEU 60 -10.622 8.137 1.882 430 HA LEU 60 HA LEU 60 -10.734 5.932 3.676 431 HB2 LEU 60 1HB LEU 60 -11.925 6.368 0.913 432 HB3 LEU 60 2HB LEU 60 -12.100 4.835 1.753 433 HG LEU 60 HG LEU 60 -13.280 6.025 3.623 434 HD11 LEU 60 1HD1 LEU 60 -13.203 8.450 1.804 435 HD12 LEU 60 2HD1 LEU 60 -12.393 8.281 3.362 436 HD13 LEU 60 3HD1 LEU 60 -14.153 8.299 3.288 437 HD21 LEU 60 3HD2 LEU 60 -15.417 6.308 2.425 438 HD22 LEU 60 1HD2 LEU 60 -14.556 4.873 1.873 439 HD23 LEU 60 2HD2 LEU 60 -14.560 6.333 0.882 440 H VAL 61 H VAL 61 -9.200 6.416 0.508 441 HA VAL 61 HA VAL 61 -8.414 3.729 0.061 442 HB VAL 61 HB VAL 61 -6.969 6.197 -1.054 443 HG11 VAL 61 1HG1 VAL 61 -6.392 4.690 -2.940 444 HG12 VAL 61 2HG1 VAL 61 -7.203 3.348 -2.130 445 HG13 VAL 61 3HG1 VAL 61 -5.765 4.074 -1.410 446 HG21 VAL 61 3HG2 VAL 61 -9.406 4.766 -2.202 447 HG22 VAL 61 1HG2 VAL 61 -8.504 6.067 -2.988 448 HG23 VAL 61 2HG2 VAL 61 -9.392 6.385 -1.498 449 H VAL 62 H VAL 62 -6.763 6.487 1.558 450 HA VAL 62 HA VAL 62 -4.262 5.245 2.102 451 HB VAL 62 HB VAL 62 -5.606 7.629 3.486 452 HG11 VAL 62 1HG1 VAL 62 -3.351 8.275 4.282 453 HG12 VAL 62 2HG1 VAL 62 -2.682 6.785 3.608 454 HG13 VAL 62 3HG1 VAL 62 -3.841 6.711 4.936 455 HG21 VAL 62 3HG2 VAL 62 -4.182 9.035 2.029 456 HG22 VAL 62 1HG2 VAL 62 -5.244 8.000 1.075 457 HG23 VAL 62 2HG2 VAL 62 -3.537 7.590 1.245 458 H SER 63 H SER 63 -7.285 5.530 3.928 459 HA SER 63 HA SER 63 -6.407 4.443 6.401 460 HB2 SER 63 1HB SER 63 -8.478 5.817 6.157 461 HB3 SER 63 2HB SER 63 -9.230 4.516 5.233 462 HG SER 63 HG SER 63 -9.017 4.823 7.915 463 H GLU 64 H GLU 64 -7.911 2.992 3.534 464 HA GLU 64 HA GLU 64 -8.139 0.330 4.596 465 HB2 GLU 64 1HB GLU 64 -8.406 1.426 1.765 466 HB3 GLU 64 2HB GLU 64 -8.706 -0.262 2.188 467 HG2 GLU 64 1HG GLU 64 -10.546 0.366 3.649 468 HG3 GLU 64 2HG GLU 64 -10.197 2.076 3.424 469 H LEU 65 H LEU 65 -5.797 2.090 2.656 470 HA LEU 65 HA LEU 65 -4.089 -0.048 1.905 471 HB2 LEU 65 1HB LEU 65 -4.057 2.198 0.853 472 HB3 LEU 65 2HB LEU 65 -3.476 2.904 2.349 473 HG LEU 65 HG LEU 65 -1.315 1.743 2.097 474 HD11 LEU 65 1HD1 LEU 65 -0.753 0.478 0.059 475 HD12 LEU 65 2HD1 LEU 65 -2.436 0.573 -0.467 476 HD13 LEU 65 3HD1 LEU 65 -2.014 -0.311 1.001 477 HD21 LEU 65 3HD2 LEU 65 -2.118 3.218 -0.443 478 HD22 LEU 65 1HD2 LEU 65 -0.465 2.949 0.122 479 HD23 LEU 65 2HD2 LEU 65 -1.560 3.959 1.059 480 H SER 66 H SER 66 -4.173 2.130 4.685 481 HA SER 66 HA SER 66 -1.936 1.213 6.125 482 HB2 SER 66 1HB SER 66 -3.124 3.333 6.659 483 HB3 SER 66 2HB SER 66 -4.537 2.421 7.184 484 HG SER 66 HG SER 66 -3.533 2.682 9.050 485 H LEU 67 H LEU 67 -5.339 0.263 6.194 486 HA LEU 67 HA LEU 67 -5.184 -1.559 8.354 487 HB2 LEU 67 1HB LEU 67 -7.248 -0.378 7.563 488 HB3 LEU 67 2HB LEU 67 -7.258 -1.398 6.133 489 HG LEU 67 HG LEU 67 -7.659 -3.400 7.544 490 HD11 LEU 67 1HD1 LEU 67 -8.156 -3.192 9.954 491 HD12 LEU 67 2HD1 LEU 67 -7.695 -1.490 9.907 492 HD13 LEU 67 3HD1 LEU 67 -6.493 -2.741 9.590 493 HD21 LEU 67 3HD2 LEU 67 -9.969 -2.889 8.235 494 HD22 LEU 67 1HD2 LEU 67 -9.606 -2.171 6.666 495 HD23 LEU 67 2HD2 LEU 67 -9.641 -1.159 8.113 496 H LYS 68 H LYS 68 -4.708 -1.910 4.876 497 HA LYS 68 HA LYS 68 -4.627 -4.776 4.812 498 HB2 LYS 68 1HB LYS 68 -3.526 -2.696 2.883 499 HB3 LYS 68 2HB LYS 68 -3.421 -4.427 2.588 500 HG2 LYS 68 1HG LYS 68 -5.966 -2.792 2.811 501 HG3 LYS 68 2HG LYS 68 -5.265 -3.466 1.337 502 HD2 LYS 68 1HD LYS 68 -5.632 -5.759 2.201 503 HD3 LYS 68 2HD LYS 68 -6.316 -5.097 3.690 504 HE2 LYS 68 1HE LYS 68 -7.462 -4.762 0.901 505 HE3 LYS 68 2HE LYS 68 -8.090 -5.822 2.163 506 HZ1 LYS 68 3HZ LYS 68 -8.478 -3.842 3.526 507 HZ2 LYS 68 1HZ LYS 68 -9.356 -3.820 2.083 508 HZ3 LYS 68 2HZ LYS 68 -7.976 -2.865 2.246 509 H LEU 69 H LEU 69 -2.004 -2.314 4.654 510 HA LEU 69 HA LEU 69 0.157 -4.125 4.657 511 HB2 LEU 69 1HB LEU 69 0.089 -1.228 5.568 512 HB3 LEU 69 2HB LEU 69 1.557 -2.143 5.256 513 HG LEU 69 HG LEU 69 -0.533 -1.373 3.178 514 HD11 LEU 69 1HD1 LEU 69 1.186 0.125 2.277 515 HD12 LEU 69 2HD1 LEU 69 2.284 -0.317 3.586 516 HD13 LEU 69 3HD1 LEU 69 0.785 0.548 3.939 517 HD21 LEU 69 3HD2 LEU 69 2.094 -2.849 2.774 518 HD22 LEU 69 1HD2 LEU 69 1.025 -2.266 1.494 519 HD23 LEU 69 2HD2 LEU 69 0.476 -3.528 2.590 520 H ARG 70 H ARG 70 -1.661 -2.726 7.287 521 HA ARG 70 HA ARG 70 -0.108 -3.172 9.528 522 HB2 ARG 70 1HB ARG 70 -2.387 -2.044 9.399 523 HB3 ARG 70 2HB ARG 70 -3.131 -3.627 9.312 524 HG2 ARG 70 1HG ARG 70 -1.459 -2.740 11.690 525 HG3 ARG 70 2HG ARG 70 -3.184 -2.423 11.572 526 HD2 ARG 70 1HD ARG 70 -3.609 -4.860 11.453 527 HD3 ARG 70 2HD ARG 70 -1.877 -5.161 11.618 528 HE ARG 70 HE ARG 70 -3.032 -3.560 13.731 529 HH11 ARG 70 1HH1 ARG 70 -2.250 -6.831 12.710 530 HH12 ARG 70 2HH1 ARG 70 -2.395 -7.489 14.306 531 HH21 ARG 70 1HH2 ARG 70 -3.273 -4.458 15.806 532 HH22 ARG 70 2HH2 ARG 70 -2.997 -6.155 16.052 533 H LYS 71 H LYS 71 -2.445 -5.424 8.026 534 HA LYS 71 HA LYS 71 -1.690 -7.629 9.751 535 HB2 LYS 71 1HB LYS 71 -4.037 -7.300 9.079 536 HB3 LYS 71 2HB LYS 71 -3.609 -7.474 7.381 537 HG2 LYS 71 1HG LYS 71 -2.964 -9.823 7.775 538 HG3 LYS 71 2HG LYS 71 -3.363 -9.655 9.487 539 HD2 LYS 71 1HD LYS 71 -5.325 -9.393 7.168 540 HD3 LYS 71 2HD LYS 71 -5.170 -10.787 8.238 541 HE2 LYS 71 1HE LYS 71 -5.796 -9.322 10.168 542 HE3 LYS 71 2HE LYS 71 -6.072 -7.997 9.033 543 HZ1 LYS 71 3HZ LYS 71 -8.122 -9.148 9.615 544 HZ2 LYS 71 1HZ LYS 71 -7.501 -10.599 9.018 545 HZ3 LYS 71 2HZ LYS 71 -7.793 -9.309 7.970 546 H GLU 72 H GLU 72 -1.134 -6.627 6.430 547 HA GLU 72 HA GLU 72 -0.483 -9.207 5.398 548 HB2 GLU 72 1HB GLU 72 -1.551 -7.289 4.109 549 HB3 GLU 72 2HB GLU 72 0.019 -6.501 4.093 550 HG2 GLU 72 1HG GLU 72 -0.345 -7.598 1.968 551 HG3 GLU 72 2HG GLU 72 0.955 -8.430 2.819 552 H PHE 73 H PHE 73 1.459 -6.317 6.208 553 HA PHE 73 HA PHE 73 3.963 -7.914 5.976 554 HB2 PHE 73 1HB PHE 73 3.547 -4.999 5.180 555 HB3 PHE 73 2HB PHE 73 5.104 -5.826 5.192 556 HD1 PHE 73 HD2 PHE 73 5.381 -7.891 3.663 557 HD2 PHE 73 HD1 PHE 73 2.165 -5.098 3.236 558 HE1 PHE 73 HE2 PHE 73 4.985 -8.684 1.372 559 HE2 PHE 73 HE1 PHE 73 1.778 -5.907 0.945 560 HZ PHE 73 HZ PHE 73 3.190 -7.700 0.014 561 H GLY 74 H GLY 74 1.992 -6.143 8.060 562 HA2 GLY 74 1HA GLY 74 2.275 -5.580 10.287 563 HA3 GLY 74 2HA GLY 74 3.975 -6.008 10.177 564 H VAL 75 H VAL 75 3.193 -3.944 7.660 565 HA VAL 75 HA VAL 75 4.729 -1.776 8.825 566 HB VAL 75 HB VAL 75 3.559 -2.042 6.001 567 HG11 VAL 75 1HG1 VAL 75 4.024 0.302 6.543 568 HG12 VAL 75 2HG1 VAL 75 5.179 -0.281 5.348 569 HG13 VAL 75 3HG1 VAL 75 5.668 -0.104 7.037 570 HG21 VAL 75 3HG2 VAL 75 5.179 -3.840 6.501 571 HG22 VAL 75 1HG2 VAL 75 6.388 -2.640 6.971 572 HG23 VAL 75 2HG2 VAL 75 5.827 -2.726 5.298 573 H THR 76 H THR 76 3.274 -1.140 10.423 574 HA THR 76 HA THR 76 1.083 0.655 9.564 575 HB THR 76 HB THR 76 0.028 -1.348 10.523 576 HG1 THR 76 HG1 THR 76 -1.014 0.566 11.017 577 HG21 THR 76 3HG2 THR 76 1.872 -2.192 11.927 578 HG22 THR 76 1HG2 THR 76 0.385 -2.038 12.865 579 HG23 THR 76 2HG2 THR 76 1.664 -0.834 13.035 580 H GLY 77 H GLY 77 0.638 2.336 11.278 581 HA2 GLY 77 1HA GLY 77 1.427 4.134 12.494 582 HA3 GLY 77 2HA GLY 77 2.875 3.215 12.899 583 H VAL 78 H VAL 78 1.837 3.512 9.635 584 HA VAL 78 HA VAL 78 3.990 5.435 8.927 585 HB VAL 78 HB VAL 78 4.251 4.165 6.786 586 HG11 VAL 78 1HG1 VAL 78 5.781 3.644 8.625 587 HG12 VAL 78 2HG1 VAL 78 5.452 2.199 7.669 588 HG13 VAL 78 3HG1 VAL 78 4.669 2.416 9.238 589 HG21 VAL 78 3HG2 VAL 78 1.989 3.187 6.629 590 HG22 VAL 78 1HG2 VAL 78 2.329 2.130 8.004 591 HG23 VAL 78 2HG2 VAL 78 3.218 1.934 6.489 592 H ASP 79 H ASP 79 0.984 5.656 9.472 593 HA ASP 79 HA ASP 79 -0.467 5.777 7.055 594 HB2 ASP 79 1HB ASP 79 -1.471 5.441 9.322 595 HB3 ASP 79 2HB ASP 79 -1.145 7.133 9.693 596 H ASP 80 H ASP 80 1.326 8.221 8.835 597 HA ASP 80 HA ASP 80 0.604 10.531 7.386 598 HB2 ASP 80 1HB ASP 80 3.212 9.804 8.809 599 HB3 ASP 80 2HB ASP 80 2.927 11.385 8.090 600 H GLU 81 H GLU 81 3.247 8.187 6.871 601 HA GLU 81 HA GLU 81 4.304 9.297 4.492 602 HB2 GLU 81 1HB GLU 81 4.382 6.442 5.548 603 HB3 GLU 81 2HB GLU 81 5.322 6.996 4.161 604 HG2 GLU 81 1HG GLU 81 6.576 8.545 5.567 605 HG3 GLU 81 2HG GLU 81 5.569 8.153 6.959 606 H LEU 82 H LEU 82 1.732 6.937 5.052 607 HA LEU 82 HA LEU 82 1.282 6.056 2.413 608 HB2 LEU 82 1HB LEU 82 -0.571 6.255 4.804 609 HB3 LEU 82 2HB LEU 82 -1.046 5.485 3.297 610 HG LEU 82 HG LEU 82 1.294 4.567 5.013 611 HD11 LEU 82 1HD1 LEU 82 -1.494 3.395 4.836 612 HD12 LEU 82 2HD1 LEU 82 -0.807 4.244 6.220 613 HD13 LEU 82 3HD1 LEU 82 -0.125 2.701 5.714 614 HD21 LEU 82 3HD2 LEU 82 1.539 3.991 2.648 615 HD22 LEU 82 1HD2 LEU 82 -0.063 3.254 2.646 616 HD23 LEU 82 2HD2 LEU 82 1.231 2.554 3.618 617 H ASP 83 H ASP 83 0.017 8.773 4.232 618 HA ASP 83 HA ASP 83 -1.776 9.734 2.209 619 HB2 ASP 83 1HB ASP 83 -2.040 10.170 4.658 620 HB3 ASP 83 2HB ASP 83 -0.586 11.160 4.630 621 H LEU 84 H LEU 84 1.626 10.105 2.897 622 HA LEU 84 HA LEU 84 2.033 12.329 1.031 623 HB2 LEU 84 1HB LEU 84 4.005 10.687 2.669 624 HB3 LEU 84 2HB LEU 84 4.454 12.052 1.658 625 HG LEU 84 HG LEU 84 2.635 12.217 4.094 626 HD11 LEU 84 1HD1 LEU 84 4.490 13.356 5.227 627 HD12 LEU 84 2HD1 LEU 84 5.531 13.069 3.830 628 HD13 LEU 84 3HD1 LEU 84 4.922 11.708 4.775 629 HD21 LEU 84 3HD2 LEU 84 2.815 14.652 3.866 630 HD22 LEU 84 1HD2 LEU 84 2.082 13.940 2.431 631 HD23 LEU 84 2HD2 LEU 84 3.766 14.464 2.392 632 H LEU 85 H LEU 85 1.596 9.018 0.631 633 HA LEU 85 HA LEU 85 3.584 8.543 -1.417 634 HB2 LEU 85 1HB LEU 85 1.088 6.946 -0.732 635 HB3 LEU 85 2HB LEU 85 2.294 6.456 -1.916 636 HG LEU 85 HG LEU 85 2.667 6.684 1.085 637 HD11 LEU 85 1HD1 LEU 85 1.480 4.689 0.397 638 HD12 LEU 85 2HD1 LEU 85 3.093 4.272 0.969 639 HD13 LEU 85 3HD1 LEU 85 2.752 4.298 -0.765 640 HD21 LEU 85 3HD2 LEU 85 4.732 7.472 0.037 641 HD22 LEU 85 1HD2 LEU 85 4.789 6.033 -0.987 642 HD23 LEU 85 2HD2 LEU 85 4.978 5.886 0.761 643 H GLU 86 H GLU 86 3.490 9.420 -3.310 644 HA GLU 86 HA GLU 86 0.914 9.960 -4.698 645 HB2 GLU 86 1HB GLU 86 2.059 11.809 -5.836 646 HB3 GLU 86 2HB GLU 86 2.173 12.017 -4.088 647 HG2 GLU 86 1HG GLU 86 4.493 11.029 -4.186 648 HG3 GLU 86 2HG GLU 86 4.356 11.010 -5.944 649 H THR 87 H THR 87 3.445 7.884 -4.581 650 HA THR 87 HA THR 87 3.271 7.056 -7.385 651 HB THR 87 HB THR 87 5.875 6.681 -7.229 652 HG1 THR 87 HG1 THR 87 6.775 8.500 -5.900 653 HG21 THR 87 3HG2 THR 87 4.888 8.280 -8.830 654 HG22 THR 87 1HG2 THR 87 6.375 8.926 -8.132 655 HG23 THR 87 2HG2 THR 87 4.810 9.512 -7.569 656 H VAL 88 H VAL 88 3.386 4.884 -7.643 657 HA VAL 88 HA VAL 88 2.773 3.242 -5.424 658 HB VAL 88 HB VAL 88 3.518 2.358 -8.253 659 HG11 VAL 88 1HG1 VAL 88 1.988 0.851 -6.092 660 HG12 VAL 88 2HG1 VAL 88 3.621 0.495 -6.658 661 HG13 VAL 88 3HG1 VAL 88 2.254 0.292 -7.750 662 HG21 VAL 88 3HG2 VAL 88 1.616 3.920 -8.294 663 HG22 VAL 88 1HG2 VAL 88 0.764 2.942 -7.096 664 HG23 VAL 88 2HG2 VAL 88 1.091 2.287 -8.702 665 H ASP 89 H ASP 89 5.764 3.797 -7.230 666 HA ASP 89 HA ASP 89 7.294 1.657 -6.222 667 HB2 ASP 89 1HB ASP 89 7.984 3.004 -8.180 668 HB3 ASP 89 2HB ASP 89 8.255 4.401 -7.142 669 H GLU 90 H GLU 90 6.625 4.888 -4.902 670 HA GLU 90 HA GLU 90 8.423 4.727 -2.691 671 HB2 GLU 90 1HB GLU 90 6.020 6.485 -3.264 672 HB3 GLU 90 2HB GLU 90 6.878 6.586 -1.731 673 HG2 GLU 90 1HG GLU 90 8.164 6.998 -4.447 674 HG3 GLU 90 2HG GLU 90 7.596 8.293 -3.396 675 H LEU 91 H LEU 91 5.079 3.611 -3.162 676 HA LEU 91 HA LEU 91 4.584 2.734 -0.502 677 HB2 LEU 91 1HB LEU 91 2.815 2.677 -2.198 678 HB3 LEU 91 2HB LEU 91 3.696 1.478 -3.125 679 HG LEU 91 HG LEU 91 3.391 -0.153 -1.219 680 HD11 LEU 91 1HD1 LEU 91 1.541 1.951 -0.066 681 HD12 LEU 91 2HD1 LEU 91 3.072 1.411 0.625 682 HD13 LEU 91 3HD1 LEU 91 1.716 0.291 0.515 683 HD21 LEU 91 3HD2 LEU 91 1.916 -0.231 -3.170 684 HD22 LEU 91 1HD2 LEU 91 0.819 0.924 -2.408 685 HD23 LEU 91 2HD2 LEU 91 1.050 -0.678 -1.703 686 H PHE 92 H PHE 92 6.320 1.186 -3.181 687 HA PHE 92 HA PHE 92 6.932 -1.274 -1.896 688 HB2 PHE 92 1HB PHE 92 8.135 0.175 -4.279 689 HB3 PHE 92 2HB PHE 92 8.837 -1.331 -3.691 690 HD1 PHE 92 HD1 PHE 92 5.525 0.090 -4.773 691 HD2 PHE 92 HD2 PHE 92 8.025 -3.358 -4.532 692 HE1 PHE 92 HE1 PHE 92 3.865 -1.195 -6.030 693 HE2 PHE 92 HE2 PHE 92 6.369 -4.619 -5.806 694 HZ PHE 92 HZ PHE 92 4.274 -3.545 -6.556 695 H GLN 93 H GLN 93 8.680 1.821 -2.052 696 HA GLN 93 HA GLN 93 11.047 0.908 -0.732 697 HB2 GLN 93 1HB GLN 93 10.051 3.786 -0.809 698 HB3 GLN 93 2HB GLN 93 11.708 3.237 -0.578 699 HG2 GLN 93 1HG GLN 93 10.063 3.137 -3.114 700 HG3 GLN 93 2HG GLN 93 11.494 4.109 -2.805 701 HE21 GLN 93 2HE2 GLN 93 10.796 2.005 -4.846 702 HE22 GLN 93 1HE2 GLN 93 12.130 0.907 -4.816 703 H LEU 94 H LEU 94 8.016 2.338 0.313 704 HA LEU 94 HA LEU 94 8.473 2.771 3.030 705 HB2 LEU 94 1HB LEU 94 6.450 3.565 1.887 706 HB3 LEU 94 2HB LEU 94 5.948 1.915 1.560 707 HG LEU 94 HG LEU 94 5.752 1.584 4.089 708 HD11 LEU 94 1HD1 LEU 94 5.504 3.563 5.500 709 HD12 LEU 94 2HD1 LEU 94 5.965 4.603 4.152 710 HD13 LEU 94 3HD1 LEU 94 7.125 3.459 4.823 711 HD21 LEU 94 3HD2 LEU 94 3.799 1.862 2.662 712 HD22 LEU 94 1HD2 LEU 94 3.918 3.619 2.805 713 HD23 LEU 94 2HD2 LEU 94 3.555 2.634 4.226 714 H VAL 95 H VAL 95 7.087 -0.108 1.413 715 HA VAL 95 HA VAL 95 6.832 -1.697 3.740 716 HB VAL 95 HB VAL 95 6.949 -2.549 0.805 717 HG11 VAL 95 1HG1 VAL 95 5.906 -4.691 1.519 718 HG12 VAL 95 2HG1 VAL 95 6.070 -4.208 3.211 719 HG13 VAL 95 3HG1 VAL 95 7.509 -4.481 2.228 720 HG21 VAL 95 3HG2 VAL 95 4.481 -2.681 0.978 721 HG22 VAL 95 1HG2 VAL 95 5.057 -1.053 1.337 722 HG23 VAL 95 2HG2 VAL 95 4.555 -2.119 2.652 723 H GLU 96 H GLU 96 9.395 -1.558 1.241 724 HA GLU 96 HA GLU 96 10.930 -3.752 2.073 725 HB2 GLU 96 1HB GLU 96 11.179 -2.641 -0.131 726 HB3 GLU 96 2HB GLU 96 11.881 -1.229 0.654 727 HG2 GLU 96 1HG GLU 96 13.759 -2.695 1.468 728 HG3 GLU 96 2HG GLU 96 13.074 -4.025 0.543 729 H LYS 97 H LYS 97 11.438 -0.279 2.792 730 HA LYS 97 HA LYS 97 13.746 -0.630 4.413 731 HB2 LYS 97 1HB LYS 97 11.813 1.715 4.252 732 HB3 LYS 97 2HB LYS 97 13.360 1.756 5.096 733 HG2 LYS 97 1HG LYS 97 14.571 1.456 3.006 734 HG3 LYS 97 2HG LYS 97 13.056 1.241 2.123 735 HD2 LYS 97 1HD LYS 97 12.394 3.567 2.739 736 HD3 LYS 97 2HD LYS 97 13.949 3.777 3.548 737 HE2 LYS 97 1HE LYS 97 15.119 3.501 1.404 738 HE3 LYS 97 2HE LYS 97 13.579 3.207 0.586 739 HZ1 LYS 97 3HZ LYS 97 14.265 5.476 0.279 740 HZ2 LYS 97 1HZ LYS 97 14.384 5.721 1.945 741 HZ3 LYS 97 2HZ LYS 97 12.878 5.442 1.236 742 H HIS 98 H HIS 98 10.306 -0.199 5.207 743 HA HIS 98 HA HIS 98 10.762 -0.152 8.057 744 HB2 HIS 98 1HB HIS 98 8.219 -0.183 6.397 745 HB3 HIS 98 2HB HIS 98 8.184 -0.290 8.158 746 HD1 HIS 98 HD1 HIS 98 8.811 1.834 9.480 747 HD2 HIS 98 HD2 HIS 98 8.910 2.380 5.368 748 HE1 HIS 98 HE1 HIS 98 8.949 4.310 9.136 749 HE2 HIS 98 HE2 HIS 98 8.739 4.610 6.650 750 H ARG 99 H ARG 99 10.319 -2.690 5.746 751 HA ARG 99 HA ARG 99 9.708 -4.697 7.780 752 HB2 ARG 99 1HB ARG 99 8.876 -4.857 5.381 753 HB3 ARG 99 2HB ARG 99 10.531 -5.199 4.886 754 HG2 ARG 99 1HG ARG 99 10.538 -7.245 6.238 755 HG3 ARG 99 2HG ARG 99 8.930 -6.866 6.853 756 HD2 ARG 99 1HD ARG 99 8.068 -7.022 4.483 757 HD3 ARG 99 2HD ARG 99 9.668 -7.613 4.003 758 HE ARG 99 HE ARG 99 8.396 -9.030 6.201 759 HH11 ARG 99 1HH1 ARG 99 8.851 -8.983 2.712 760 HH12 ARG 99 2HH1 ARG 99 8.533 -10.678 2.539 761 HH21 ARG 99 1HH2 ARG 99 7.973 -11.231 5.934 762 HH22 ARG 99 2HH2 ARG 99 8.009 -11.942 4.354 763 H ALA 100 H ALA 100 12.497 -3.354 6.125 764 HA ALA 100 HA ALA 100 14.427 -5.321 6.909 765 HB1 ALA 100 3HB ALA 100 14.846 -2.434 6.053 766 HB2 ALA 100 1HB ALA 100 14.804 -3.834 4.981 767 HB3 ALA 100 2HB ALA 100 16.101 -3.672 6.165 768 H ALA 101 H ALA 101 13.420 -2.172 8.163 769 HA ALA 101 HA ALA 101 13.643 -1.056 10.110 770 HB1 ALA 101 3HB ALA 101 12.343 -2.985 10.938 771 HB2 ALA 101 1HB ALA 101 13.433 -2.370 12.184 772 HB3 ALA 101 2HB ALA 101 13.840 -3.847 11.303 773 H GLY 102 H GLY 102 15.965 -1.130 8.651 774 HA2 GLY 102 1HA GLY 102 18.316 -1.987 9.969 775 HA3 GLY 102 2HA GLY 102 18.231 -0.757 8.720 776 H SER 103 H SER 103 16.548 1.072 10.101 777 HA SER 103 HA SER 103 18.393 2.357 11.935 778 HB2 SER 103 1HB SER 103 15.617 3.224 10.995 779 HB3 SER 103 2HB SER 103 16.771 4.226 11.882 780 HG SER 103 HG SER 103 18.180 3.464 9.936 Start of MODEL 19 1 H1 MET 1 1H MET 1 -19.033 -35.962 -22.482 2 H2 MET 1 2H MET 1 -19.710 -37.310 -21.731 3 H3 MET 1 3H MET 1 -20.402 -36.704 -23.146 4 HA MET 1 HA MET 1 -19.156 -38.698 -23.590 5 HB2 MET 1 1HB MET 1 -17.828 -36.172 -24.682 6 HB3 MET 1 2HB MET 1 -17.665 -37.778 -25.384 7 HG2 MET 1 1HG MET 1 -20.085 -37.797 -25.883 8 HG3 MET 1 2HG MET 1 -20.234 -36.177 -25.191 9 HE1 MET 1 3HE MET 1 -21.338 -35.230 -27.429 10 HE2 MET 1 1HE MET 1 -21.255 -36.840 -28.148 11 HE3 MET 1 2HE MET 1 -20.631 -35.447 -29.030 12 H GLY 2 H GLY 2 -17.041 -39.716 -23.708 13 HA2 GLY 2 1HA GLY 2 -14.992 -40.368 -22.933 14 HA3 GLY 2 2HA GLY 2 -14.672 -38.678 -22.569 15 H SER 3 H SER 3 -13.661 -39.019 -20.636 16 HA SER 3 HA SER 3 -15.163 -39.240 -18.254 17 HB2 SER 3 1HB SER 3 -14.050 -41.364 -17.375 18 HB3 SER 3 2HB SER 3 -15.206 -41.645 -18.674 19 HG SER 3 HG SER 3 -13.329 -41.612 -20.119 20 H SER 4 H SER 4 -13.624 -39.234 -16.287 21 HA SER 4 HA SER 4 -11.383 -37.487 -16.689 22 HB2 SER 4 1HB SER 4 -12.174 -39.077 -14.202 23 HB3 SER 4 2HB SER 4 -11.048 -37.718 -14.251 24 HG SER 4 HG SER 4 -12.763 -36.394 -14.906 25 H HIS 5 H HIS 5 -11.708 -40.880 -15.582 26 HA HIS 5 HA HIS 5 -10.319 -42.623 -15.313 27 HB2 HIS 5 1HB HIS 5 -10.427 -42.506 -17.834 28 HB3 HIS 5 2HB HIS 5 -8.944 -41.568 -17.830 29 HD1 HIS 5 HD1 HIS 5 -10.247 -45.026 -17.625 30 HD2 HIS 5 HD2 HIS 5 -6.592 -43.107 -17.148 31 HE1 HIS 5 HE1 HIS 5 -8.521 -46.839 -17.652 32 HE2 HIS 5 HE2 HIS 5 -6.320 -45.637 -17.566 33 H ASP 6 H ASP 6 -9.579 -41.627 -13.356 34 HA ASP 6 HA ASP 6 -7.082 -40.118 -13.343 35 HB2 ASP 6 1HB ASP 6 -8.981 -39.443 -11.900 36 HB3 ASP 6 2HB ASP 6 -8.897 -40.982 -11.050 37 H HIS 7 H HIS 7 -5.158 -40.797 -12.265 38 HA HIS 7 HA HIS 7 -4.550 -43.575 -12.668 39 HB2 HIS 7 1HB HIS 7 -2.911 -41.761 -13.153 40 HB3 HIS 7 2HB HIS 7 -2.816 -41.391 -11.434 41 HD1 HIS 7 HD1 HIS 7 -0.758 -42.401 -10.401 42 HD2 HIS 7 HD2 HIS 7 -2.163 -44.703 -13.552 43 HE1 HIS 7 HE1 HIS 7 0.834 -44.327 -10.599 44 HE2 HIS 7 HE2 HIS 7 0.014 -45.657 -12.563 45 H HIS 8 H HIS 8 -4.691 -41.489 -9.730 46 HA HIS 8 HA HIS 8 -5.273 -43.764 -8.024 47 HB2 HIS 8 1HB HIS 8 -3.334 -43.634 -6.580 48 HB3 HIS 8 2HB HIS 8 -2.733 -43.792 -8.230 49 HD1 HIS 8 HD1 HIS 8 -2.485 -41.714 -5.241 50 HD2 HIS 8 HD2 HIS 8 -1.697 -41.235 -9.291 51 HE1 HIS 8 HE1 HIS 8 -1.067 -39.659 -5.410 52 HE2 HIS 8 HE2 HIS 8 -0.514 -39.442 -7.862 53 H HIS 9 H HIS 9 -6.563 -43.120 -6.392 54 HA HIS 9 HA HIS 9 -7.075 -40.316 -5.841 55 HB2 HIS 9 1HB HIS 9 -8.869 -42.093 -5.852 56 HB3 HIS 9 2HB HIS 9 -8.124 -42.812 -4.430 57 HD1 HIS 9 HD1 HIS 9 -8.597 -41.682 -2.161 58 HD2 HIS 9 HD2 HIS 9 -10.235 -39.622 -5.379 59 HE1 HIS 9 HE1 HIS 9 -10.199 -40.033 -1.169 60 HE2 HIS 9 HE2 HIS 9 -11.236 -38.850 -3.126 61 H HIS 10 H HIS 10 -6.604 -39.263 -3.829 62 HA HIS 10 HA HIS 10 -4.151 -40.054 -2.547 63 HB2 HIS 10 1HB HIS 10 -6.088 -37.845 -1.733 64 HB3 HIS 10 2HB HIS 10 -4.446 -38.041 -1.134 65 HD1 HIS 10 HD1 HIS 10 -5.995 -35.742 -3.039 66 HD2 HIS 10 HD2 HIS 10 -2.817 -38.265 -3.952 67 HE1 HIS 10 HE1 HIS 10 -4.776 -34.641 -4.934 68 HE2 HIS 10 HE2 HIS 10 -2.931 -36.235 -5.545 69 H SER 11 H SER 11 -3.847 -40.661 -0.370 70 HA SER 11 HA SER 11 -5.742 -42.466 0.719 71 HB2 SER 11 1HB SER 11 -3.262 -42.695 0.976 72 HB3 SER 11 2HB SER 11 -3.263 -41.295 2.049 73 HG SER 11 HG SER 11 -4.537 -43.803 2.454 74 H SER 12 H SER 12 -4.563 -39.282 1.854 75 HA SER 12 HA SER 12 -7.198 -38.519 2.803 76 HB2 SER 12 1HB SER 12 -4.843 -38.596 4.748 77 HB3 SER 12 2HB SER 12 -6.401 -37.836 5.074 78 HG SER 12 HG SER 12 -7.197 -40.101 4.479 79 H GLY 13 H GLY 13 -3.792 -37.426 3.222 80 HA2 GLY 13 1HA GLY 13 -2.720 -35.489 2.586 81 HA3 GLY 13 2HA GLY 13 -4.073 -35.126 1.524 82 H ARG 14 H ARG 14 -3.422 -35.362 5.022 83 HA ARG 14 HA ARG 14 -5.401 -33.408 5.766 84 HB2 ARG 14 1HB ARG 14 -4.856 -35.307 7.251 85 HB3 ARG 14 2HB ARG 14 -3.196 -34.741 7.395 86 HG2 ARG 14 1HG ARG 14 -4.016 -32.682 8.543 87 HG3 ARG 14 2HG ARG 14 -5.663 -33.296 8.430 88 HD2 ARG 14 1HD ARG 14 -3.406 -34.686 9.903 89 HD3 ARG 14 2HD ARG 14 -4.619 -33.658 10.670 90 HE ARG 14 HE ARG 14 -6.197 -35.421 9.467 91 HH11 ARG 14 1HH1 ARG 14 -3.248 -36.077 11.257 92 HH12 ARG 14 2HH1 ARG 14 -3.838 -37.566 11.919 93 HH21 ARG 14 1HH2 ARG 14 -6.934 -37.376 10.324 94 HH22 ARG 14 2HH2 ARG 14 -5.926 -38.304 11.387 95 H GLU 15 H GLU 15 -1.876 -33.431 5.369 96 HA GLU 15 HA GLU 15 -1.398 -30.828 6.455 97 HB2 GLU 15 1HB GLU 15 0.416 -32.492 6.341 98 HB3 GLU 15 2HB GLU 15 0.307 -32.531 4.587 99 HG2 GLU 15 1HG GLU 15 2.243 -31.228 5.220 100 HG3 GLU 15 2HG GLU 15 1.047 -30.155 4.503 101 H ASN 16 H ASN 16 -1.396 -28.883 5.480 102 HA ASN 16 HA ASN 16 -2.688 -28.437 2.965 103 HB2 ASN 16 1HB ASN 16 -1.167 -26.506 4.792 104 HB3 ASN 16 2HB ASN 16 -2.189 -26.026 3.438 105 HD21 ASN 16 2HD2 ASN 16 -2.370 -25.454 6.358 106 HD22 ASN 16 1HD2 ASN 16 -3.963 -25.942 6.819 107 H LEU 17 H LEU 17 -1.563 -29.245 1.246 108 HA LEU 17 HA LEU 17 0.020 -29.667 -0.314 109 HB2 LEU 17 1HB LEU 17 1.136 -27.026 0.719 110 HB3 LEU 17 2HB LEU 17 1.910 -27.909 -0.583 111 HG LEU 17 HG LEU 17 -0.176 -27.654 -1.960 112 HD11 LEU 17 1HD1 LEU 17 -1.160 -25.831 0.267 113 HD12 LEU 17 2HD1 LEU 17 -1.862 -27.382 -0.199 114 HD13 LEU 17 3HD1 LEU 17 -1.910 -26.026 -1.321 115 HD21 LEU 17 3HD2 LEU 17 0.166 -25.274 -2.504 116 HD22 LEU 17 1HD2 LEU 17 1.699 -26.109 -2.254 117 HD23 LEU 17 2HD2 LEU 17 1.059 -25.048 -0.997 118 H TYR 18 H TYR 18 2.935 -29.243 -0.083 119 HA TYR 18 HA TYR 18 3.822 -30.233 2.490 120 HB2 TYR 18 1HB TYR 18 3.213 -32.332 1.153 121 HB3 TYR 18 2HB TYR 18 4.472 -31.891 0.008 122 HD1 TYR 18 HD2 TYR 18 3.802 -33.157 3.412 123 HD2 TYR 18 HD1 TYR 18 6.890 -32.155 0.620 124 HE1 TYR 18 HE2 TYR 18 5.445 -34.355 4.791 125 HE2 TYR 18 HE1 TYR 18 8.518 -33.344 2.010 126 HH TYR 18 HH TYR 18 7.618 -35.390 4.576 127 H PHE 19 H PHE 19 4.892 -29.954 -0.892 128 HA PHE 19 HA PHE 19 7.407 -28.699 -0.223 129 HB2 PHE 19 1HB PHE 19 7.267 -30.235 -2.142 130 HB3 PHE 19 2HB PHE 19 6.030 -29.229 -2.892 131 HD1 PHE 19 HD1 PHE 19 9.589 -28.998 -1.654 132 HD2 PHE 19 HD2 PHE 19 6.716 -27.659 -4.533 133 HE1 PHE 19 HE1 PHE 19 11.340 -27.722 -2.821 134 HE2 PHE 19 HE2 PHE 19 8.478 -26.400 -5.698 135 HZ PHE 19 HZ PHE 19 10.791 -26.428 -4.844 136 H GLN 20 H GLN 20 7.256 -26.680 0.571 137 HA GLN 20 HA GLN 20 6.464 -24.507 -1.104 138 HB2 GLN 20 1HB GLN 20 4.222 -25.131 -0.217 139 HB3 GLN 20 2HB GLN 20 4.820 -24.960 1.429 140 HG2 GLN 20 1HG GLN 20 5.104 -22.567 1.150 141 HG3 GLN 20 2HG GLN 20 4.771 -22.689 -0.578 142 HE21 GLN 20 2HE2 GLN 20 2.639 -22.931 -1.279 143 HE22 GLN 20 1HE2 GLN 20 1.284 -22.674 -0.234 144 H GLY 21 H GLY 21 8.235 -23.316 -0.816 145 HA2 GLY 21 1HA GLY 21 9.013 -21.767 1.232 146 HA3 GLY 21 2HA GLY 21 9.752 -23.299 1.678 147 H HIS 22 H HIS 22 10.257 -24.172 -1.041 148 HA HIS 22 HA HIS 22 12.682 -22.629 -1.629 149 HB2 HIS 22 1HB HIS 22 11.644 -25.263 -2.770 150 HB3 HIS 22 2HB HIS 22 13.131 -24.488 -3.304 151 HD1 HIS 22 HD1 HIS 22 14.123 -26.882 -2.499 152 HD2 HIS 22 HD2 HIS 22 12.853 -24.310 0.510 153 HE1 HIS 22 HE1 HIS 22 15.190 -27.719 -0.393 154 HE2 HIS 22 HE2 HIS 22 14.534 -26.060 1.377 155 H MET 23 H MET 23 11.176 -20.824 -2.113 156 HA MET 23 HA MET 23 10.992 -20.299 -4.890 157 HB2 MET 23 1HB MET 23 8.900 -21.651 -4.741 158 HB3 MET 23 2HB MET 23 8.333 -20.656 -3.406 159 HG2 MET 23 1HG MET 23 8.244 -18.697 -4.928 160 HG3 MET 23 2HG MET 23 8.755 -19.732 -6.262 161 HE1 MET 23 3HE MET 23 6.566 -18.906 -7.657 162 HE2 MET 23 1HE MET 23 6.124 -17.892 -6.280 163 HE3 MET 23 2HE MET 23 4.937 -18.983 -6.989 164 HA PRO 24 HA PRO 24 11.390 -16.301 -2.638 165 HB2 PRO 24 1HB PRO 24 11.777 -14.726 -4.883 166 HB3 PRO 24 2HB PRO 24 13.069 -15.654 -4.112 167 HG2 PRO 24 1HG PRO 24 11.417 -16.359 -6.534 168 HG3 PRO 24 2HG PRO 24 13.168 -16.541 -6.280 169 HD2 PRO 24 1HD PRO 24 11.458 -18.635 -6.038 170 HD3 PRO 24 2HD PRO 24 12.907 -18.492 -5.021 171 H ASN 25 H ASN 25 9.328 -16.077 -1.870 172 HA ASN 25 HA ASN 25 6.940 -15.893 -3.385 173 HB2 ASN 25 1HB ASN 25 7.495 -15.041 -0.508 174 HB3 ASN 25 2HB ASN 25 5.891 -15.199 -1.216 175 HD21 ASN 25 2HD2 ASN 25 8.630 -16.922 0.074 176 HD22 ASN 25 1HD2 ASN 25 7.904 -18.486 0.061 177 H ASP 26 H ASP 26 6.329 -14.265 -4.645 178 HA ASP 26 HA ASP 26 7.604 -11.715 -4.683 179 HB2 ASP 26 1HB ASP 26 5.135 -12.703 -6.193 180 HB3 ASP 26 2HB ASP 26 5.981 -11.192 -6.529 181 H MET 27 H MET 27 7.247 -10.755 -2.702 182 HA MET 27 HA MET 27 4.756 -10.123 -1.525 183 HB2 MET 27 1HB MET 27 5.978 -8.392 -0.240 184 HB3 MET 27 2HB MET 27 6.859 -9.910 -0.249 185 HG2 MET 27 1HG MET 27 8.488 -9.071 -1.779 186 HG3 MET 27 2HG MET 27 7.506 -7.660 -2.165 187 HE1 MET 27 3HE MET 27 7.850 -5.440 1.028 188 HE2 MET 27 1HE MET 27 6.538 -6.559 0.651 189 HE3 MET 27 2HE MET 27 7.235 -5.549 -0.619 190 H GLU 28 H GLU 28 6.418 -8.808 -4.257 191 HA GLU 28 HA GLU 28 5.322 -6.216 -4.434 192 HB2 GLU 28 1HB GLU 28 7.303 -6.973 -5.720 193 HB3 GLU 28 2HB GLU 28 6.291 -8.097 -6.618 194 HG2 GLU 28 1HG GLU 28 4.989 -6.080 -7.463 195 HG3 GLU 28 2HG GLU 28 6.252 -5.068 -6.765 196 H ASP 29 H ASP 29 4.347 -9.301 -5.969 197 HA ASP 29 HA ASP 29 2.027 -8.274 -7.271 198 HB2 ASP 29 1HB ASP 29 3.208 -10.323 -8.041 199 HB3 ASP 29 2HB ASP 29 2.709 -11.167 -6.576 200 H HIS 30 H HIS 30 2.632 -9.742 -4.144 201 HA HIS 30 HA HIS 30 -0.039 -10.135 -3.283 202 HB2 HIS 30 1HB HIS 30 2.258 -10.966 -2.269 203 HB3 HIS 30 2HB HIS 30 2.239 -9.443 -1.380 204 HD1 HIS 30 HD1 HIS 30 1.455 -12.814 -0.870 205 HD2 HIS 30 HD2 HIS 30 -0.594 -9.308 -0.007 206 HE1 HIS 30 HE1 HIS 30 -0.193 -13.417 0.908 207 HE2 HIS 30 HE2 HIS 30 -1.550 -11.328 1.262 208 H LEU 31 H LEU 31 2.215 -7.436 -3.034 209 HA LEU 31 HA LEU 31 0.580 -5.633 -1.521 210 HB2 LEU 31 1HB LEU 31 3.182 -5.749 -1.882 211 HB3 LEU 31 2HB LEU 31 2.888 -4.829 -3.338 212 HG LEU 31 HG LEU 31 2.080 -3.832 -0.571 213 HD11 LEU 31 1HD1 LEU 31 4.497 -4.225 -0.565 214 HD12 LEU 31 2HD1 LEU 31 4.154 -2.498 -0.544 215 HD13 LEU 31 3HD1 LEU 31 4.678 -3.272 -2.041 216 HD21 LEU 31 3HD2 LEU 31 0.953 -2.669 -2.431 217 HD22 LEU 31 1HD2 LEU 31 2.514 -2.306 -3.170 218 HD23 LEU 31 2HD2 LEU 31 2.082 -1.596 -1.611 219 H LEU 32 H LEU 32 1.081 -6.344 -4.905 220 HA LEU 32 HA LEU 32 -0.226 -4.121 -6.076 221 HB2 LEU 32 1HB LEU 32 1.407 -5.932 -7.085 222 HB3 LEU 32 2HB LEU 32 -0.052 -6.860 -7.368 223 HG LEU 32 HG LEU 32 -0.915 -4.895 -8.748 224 HD11 LEU 32 1HD1 LEU 32 0.739 -3.248 -9.567 225 HD12 LEU 32 2HD1 LEU 32 1.949 -3.910 -8.464 226 HD13 LEU 32 3HD1 LEU 32 0.505 -3.126 -7.825 227 HD21 LEU 32 3HD2 LEU 32 1.639 -6.251 -9.711 228 HD22 LEU 32 1HD2 LEU 32 0.449 -5.450 -10.744 229 HD23 LEU 32 2HD2 LEU 32 0.001 -6.897 -9.842 230 H THR 33 H THR 33 -1.283 -7.324 -5.004 231 HA THR 33 HA THR 33 -3.995 -7.199 -5.883 232 HB THR 33 HB THR 33 -2.794 -8.897 -3.636 233 HG1 THR 33 HG1 THR 33 -1.827 -9.857 -5.248 234 HG21 THR 33 3HG2 THR 33 -5.277 -8.863 -3.542 235 HG22 THR 33 1HG2 THR 33 -4.690 -10.444 -4.059 236 HG23 THR 33 2HG2 THR 33 -5.356 -9.320 -5.245 237 H VAL 34 H VAL 34 -2.341 -6.312 -2.873 238 HA VAL 34 HA VAL 34 -4.557 -5.572 -1.304 239 HB VAL 34 HB VAL 34 -1.661 -4.618 -1.318 240 HG11 VAL 34 1HG1 VAL 34 -3.779 -3.863 0.725 241 HG12 VAL 34 2HG1 VAL 34 -2.945 -2.764 -0.373 242 HG13 VAL 34 3HG1 VAL 34 -2.046 -3.576 0.909 243 HG21 VAL 34 3HG2 VAL 34 -1.474 -6.013 0.724 244 HG22 VAL 34 1HG2 VAL 34 -2.026 -6.962 -0.655 245 HG23 VAL 34 2HG2 VAL 34 -3.174 -6.456 0.584 246 H LEU 35 H LEU 35 -2.569 -3.663 -3.557 247 HA LEU 35 HA LEU 35 -4.016 -1.201 -3.387 248 HB2 LEU 35 1HB LEU 35 -2.205 -2.309 -5.562 249 HB3 LEU 35 2HB LEU 35 -2.772 -0.645 -5.483 250 HG LEU 35 HG LEU 35 -0.981 -2.001 -3.437 251 HD11 LEU 35 1HD1 LEU 35 0.781 -0.493 -4.228 252 HD12 LEU 35 2HD1 LEU 35 -0.300 0.141 -5.470 253 HD13 LEU 35 3HD1 LEU 35 0.212 -1.547 -5.521 254 HD21 LEU 35 3HD2 LEU 35 -0.813 0.180 -2.350 255 HD22 LEU 35 1HD2 LEU 35 -2.487 -0.358 -2.376 256 HD23 LEU 35 2HD2 LEU 35 -1.941 0.882 -3.507 257 H SER 36 H SER 36 -4.446 -4.120 -5.247 258 HA SER 36 HA SER 36 -6.087 -3.119 -7.312 259 HB2 SER 36 1HB SER 36 -4.907 -5.339 -7.338 260 HB3 SER 36 2HB SER 36 -6.062 -5.941 -6.159 261 HG SER 36 HG SER 36 -7.494 -4.925 -8.105 262 H VAL 37 H VAL 37 -6.901 -4.804 -4.280 263 HA VAL 37 HA VAL 37 -9.734 -4.469 -4.579 264 HB VAL 37 HB VAL 37 -8.170 -5.260 -2.079 265 HG11 VAL 37 1HG1 VAL 37 -10.283 -6.338 -1.343 266 HG12 VAL 37 2HG1 VAL 37 -11.104 -5.705 -2.772 267 HG13 VAL 37 3HG1 VAL 37 -10.477 -4.597 -1.553 268 HG21 VAL 37 3HG2 VAL 37 -7.631 -6.776 -3.947 269 HG22 VAL 37 1HG2 VAL 37 -9.350 -7.060 -4.242 270 HG23 VAL 37 2HG2 VAL 37 -8.605 -7.612 -2.739 271 H ALA 38 H ALA 38 -7.175 -2.735 -2.818 272 HA ALA 38 HA ALA 38 -8.812 -1.129 -1.150 273 HB1 ALA 38 3HB ALA 38 -6.405 -1.466 -0.713 274 HB2 ALA 38 1HB ALA 38 -6.806 0.251 -0.789 275 HB3 ALA 38 2HB ALA 38 -6.010 -0.534 -2.156 276 H SER 39 H SER 39 -7.262 -0.406 -4.288 277 HA SER 39 HA SER 39 -8.474 2.211 -4.527 278 HB2 SER 39 1HB SER 39 -6.922 0.611 -6.604 279 HB3 SER 39 2HB SER 39 -7.263 2.347 -6.652 280 HG SER 39 HG SER 39 -5.566 0.913 -4.910 281 H GLY 40 H GLY 40 -9.300 -1.031 -5.433 282 HA2 GLY 40 1HA GLY 40 -11.370 -1.820 -6.102 283 HA3 GLY 40 2HA GLY 40 -11.874 -0.186 -6.504 284 H VAL 41 H VAL 41 -8.881 -0.783 -7.904 285 HA VAL 41 HA VAL 41 -10.048 -1.427 -10.539 286 HB VAL 41 HB VAL 41 -7.991 -0.398 -11.482 287 HG11 VAL 41 1HG1 VAL 41 -8.462 1.959 -10.950 288 HG12 VAL 41 2HG1 VAL 41 -9.379 1.458 -9.526 289 HG13 VAL 41 3HG1 VAL 41 -9.957 1.038 -11.139 290 HG21 VAL 41 3HG2 VAL 41 -6.371 -0.879 -9.695 291 HG22 VAL 41 1HG2 VAL 41 -7.204 0.243 -8.614 292 HG23 VAL 41 2HG2 VAL 41 -6.386 0.846 -10.057 293 HA PRO 42 HA PRO 42 -7.762 -5.377 -10.507 294 HB2 PRO 42 1HB PRO 42 -7.164 -5.616 -13.218 295 HB3 PRO 42 2HB PRO 42 -8.727 -6.030 -12.508 296 HG2 PRO 42 1HG PRO 42 -7.900 -3.484 -13.898 297 HG3 PRO 42 2HG PRO 42 -9.398 -4.425 -14.082 298 HD2 PRO 42 1HD PRO 42 -9.349 -2.193 -12.577 299 HD3 PRO 42 2HD PRO 42 -10.310 -3.605 -12.078 300 H LYS 43 H LYS 43 -5.584 -6.224 -10.852 301 HA LYS 43 HA LYS 43 -3.501 -4.411 -10.214 302 HB2 LYS 43 1HB LYS 43 -3.365 -7.300 -11.170 303 HB3 LYS 43 2HB LYS 43 -1.992 -6.405 -10.538 304 HG2 LYS 43 1HG LYS 43 -3.227 -6.153 -8.365 305 HG3 LYS 43 2HG LYS 43 -4.500 -7.181 -9.016 306 HD2 LYS 43 1HD LYS 43 -1.596 -8.023 -8.624 307 HD3 LYS 43 2HD LYS 43 -2.930 -8.423 -7.546 308 HE2 LYS 43 1HE LYS 43 -4.024 -9.693 -9.355 309 HE3 LYS 43 2HE LYS 43 -2.689 -9.307 -10.443 310 HZ1 LYS 43 3HZ LYS 43 -1.194 -10.482 -8.925 311 HZ2 LYS 43 1HZ LYS 43 -2.418 -11.495 -9.505 312 HZ3 LYS 43 2HZ LYS 43 -2.499 -10.879 -7.932 313 H GLU 44 H GLU 44 -4.758 -5.478 -13.239 314 HA GLU 44 HA GLU 44 -2.533 -5.001 -14.935 315 HB2 GLU 44 1HB GLU 44 -5.519 -5.040 -15.542 316 HB3 GLU 44 2HB GLU 44 -4.245 -5.076 -16.763 317 HG2 GLU 44 1HG GLU 44 -3.437 -7.233 -15.909 318 HG3 GLU 44 2HG GLU 44 -4.622 -7.185 -14.608 319 H GLU 45 H GLU 45 -4.810 -2.838 -13.432 320 HA GLU 45 HA GLU 45 -4.252 -0.555 -15.143 321 HB2 GLU 45 1HB GLU 45 -5.567 -0.594 -12.396 322 HB3 GLU 45 2HB GLU 45 -5.587 0.745 -13.535 323 HG2 GLU 45 1HG GLU 45 -6.959 -1.934 -13.871 324 HG3 GLU 45 2HG GLU 45 -7.734 -0.391 -13.524 325 H ILE 46 H ILE 46 -2.933 -2.013 -12.295 326 HA ILE 46 HA ILE 46 -1.561 0.395 -11.369 327 HB ILE 46 HB ILE 46 -1.259 -2.373 -10.137 328 HG12 ILE 46 1HG1 ILE 46 -3.545 -0.442 -9.495 329 HG13 ILE 46 2HG1 ILE 46 -3.729 -1.905 -10.451 330 HG21 ILE 46 1HG2 ILE 46 -0.890 -1.092 -8.041 331 HG22 ILE 46 2HG2 ILE 46 -1.162 0.422 -8.902 332 HG23 ILE 46 3HG2 ILE 46 0.236 -0.577 -9.301 333 HD11 ILE 46 3HD1 ILE 46 -4.487 -2.252 -8.206 334 HD12 ILE 46 1HD1 ILE 46 -2.924 -1.751 -7.561 335 HD13 ILE 46 2HD1 ILE 46 -3.053 -3.234 -8.511 336 H SER 47 H SER 47 -0.035 0.756 -12.990 337 HA SER 47 HA SER 47 1.780 -1.285 -13.956 338 HB2 SER 47 1HB SER 47 0.953 0.573 -15.395 339 HB3 SER 47 2HB SER 47 1.784 1.740 -14.377 340 HG SER 47 HG SER 47 3.507 -0.158 -15.172 341 H ARG 48 H ARG 48 1.681 0.252 -11.070 342 HA ARG 48 HA ARG 48 2.998 0.544 -9.307 343 HB2 ARG 48 1HB ARG 48 5.395 -0.429 -10.893 344 HB3 ARG 48 2HB ARG 48 5.285 -0.263 -9.147 345 HG2 ARG 48 1HG ARG 48 3.386 -2.031 -9.295 346 HG3 ARG 48 2HG ARG 48 3.985 -2.323 -10.928 347 HD2 ARG 48 1HD ARG 48 5.401 -2.761 -8.298 348 HD3 ARG 48 2HD ARG 48 5.098 -3.927 -9.589 349 HE ARG 48 HE ARG 48 6.707 -2.413 -10.924 350 HH11 ARG 48 1HH1 ARG 48 7.051 -3.096 -7.493 351 HH12 ARG 48 2HH1 ARG 48 8.751 -2.790 -7.484 352 HH21 ARG 48 1HH2 ARG 48 8.935 -2.022 -10.890 353 HH22 ARG 48 2HH2 ARG 48 9.820 -2.182 -9.408 354 H ASP 49 H ASP 49 4.372 1.757 -12.338 355 HA ASP 49 HA ASP 49 5.553 4.112 -11.216 356 HB2 ASP 49 1HB ASP 49 4.785 3.425 -14.085 357 HB3 ASP 49 2HB ASP 49 5.758 4.823 -13.619 358 H SER 50 H SER 50 2.392 3.231 -11.386 359 HA SER 50 HA SER 50 0.890 5.420 -12.148 360 HB2 SER 50 1HB SER 50 -0.114 3.286 -11.448 361 HB3 SER 50 2HB SER 50 0.495 3.502 -9.805 362 HG SER 50 HG SER 50 -1.615 4.790 -11.124 363 H ARG 51 H ARG 51 0.509 7.418 -11.295 364 HA ARG 51 HA ARG 51 2.226 8.378 -9.106 365 HB2 ARG 51 1HB ARG 51 0.518 9.877 -11.140 366 HB3 ARG 51 2HB ARG 51 1.588 10.637 -9.965 367 HG2 ARG 51 1HG ARG 51 3.534 9.541 -11.037 368 HG3 ARG 51 2HG ARG 51 2.455 8.797 -12.219 369 HD2 ARG 51 1HD ARG 51 3.548 10.773 -13.170 370 HD3 ARG 51 2HD ARG 51 1.803 11.044 -13.034 371 HE ARG 51 HE ARG 51 2.968 12.022 -10.694 372 HH11 ARG 51 1HH1 ARG 51 3.054 12.822 -14.119 373 HH12 ARG 51 2HH1 ARG 51 3.441 14.489 -13.836 374 HH21 ARG 51 1HH2 ARG 51 3.447 14.220 -10.365 375 HH22 ARG 51 2HH2 ARG 51 3.645 15.276 -11.728 376 H MET 52 H MET 52 -0.207 6.751 -8.555 377 HA MET 52 HA MET 52 -1.751 6.576 -6.922 378 HB2 MET 52 1HB MET 52 -0.408 9.118 -5.941 379 HB3 MET 52 2HB MET 52 -1.680 8.319 -5.040 380 HG2 MET 52 1HG MET 52 0.977 7.069 -5.739 381 HG3 MET 52 2HG MET 52 0.562 7.799 -4.185 382 HE1 MET 52 3HE MET 52 0.491 4.142 -3.018 383 HE2 MET 52 1HE MET 52 0.859 5.805 -2.561 384 HE3 MET 52 2HE MET 52 1.698 5.056 -3.922 385 H GLU 53 H GLU 53 -2.334 8.230 -9.422 386 HA GLU 53 HA GLU 53 -3.749 10.575 -8.814 387 HB2 GLU 53 1HB GLU 53 -2.793 10.061 -11.034 388 HB3 GLU 53 2HB GLU 53 -3.978 8.780 -11.261 389 HG2 GLU 53 1HG GLU 53 -5.801 10.415 -11.293 390 HG3 GLU 53 2HG GLU 53 -4.674 11.727 -10.951 391 H ASP 54 H ASP 54 -4.971 7.309 -9.489 392 HA ASP 54 HA ASP 54 -7.578 7.975 -8.203 393 HB2 ASP 54 1HB ASP 54 -7.105 6.024 -10.519 394 HB3 ASP 54 2HB ASP 54 -8.655 6.322 -9.730 395 H LEU 55 H LEU 55 -4.776 6.533 -7.553 396 HA LEU 55 HA LEU 55 -5.883 3.975 -6.521 397 HB2 LEU 55 1HB LEU 55 -3.062 4.343 -7.600 398 HB3 LEU 55 2HB LEU 55 -3.777 2.854 -6.986 399 HG LEU 55 HG LEU 55 -5.483 3.126 -8.973 400 HD11 LEU 55 1HD1 LEU 55 -4.635 4.250 -10.982 401 HD12 LEU 55 2HD1 LEU 55 -3.251 4.862 -10.072 402 HD13 LEU 55 3HD1 LEU 55 -4.879 5.393 -9.663 403 HD21 LEU 55 3HD2 LEU 55 -4.042 1.860 -10.467 404 HD22 LEU 55 1HD2 LEU 55 -3.858 1.321 -8.800 405 HD23 LEU 55 2HD2 LEU 55 -2.615 2.336 -9.542 406 H ALA 56 H ALA 56 -5.811 3.992 -4.337 407 HA ALA 56 HA ALA 56 -4.914 3.718 -2.299 408 HB1 ALA 56 3HB ALA 56 -2.518 3.673 -1.906 409 HB2 ALA 56 1HB ALA 56 -2.220 4.463 -3.456 410 HB3 ALA 56 2HB ALA 56 -2.904 2.839 -3.410 411 H PHE 57 H PHE 57 -4.428 6.827 -3.831 412 HA PHE 57 HA PHE 57 -3.359 8.136 -1.493 413 HB2 PHE 57 1HB PHE 57 -2.556 8.712 -3.761 414 HB3 PHE 57 2HB PHE 57 -4.167 9.257 -4.199 415 HD1 PHE 57 HD2 PHE 57 -1.643 9.906 -1.476 416 HD2 PHE 57 HD1 PHE 57 -4.444 11.595 -4.240 417 HE1 PHE 57 HE2 PHE 57 -1.050 12.162 -0.710 418 HE2 PHE 57 HE1 PHE 57 -3.843 13.845 -3.468 419 HZ PHE 57 HZ PHE 57 -2.151 14.133 -1.699 420 H ASP 58 H ASP 58 -6.519 7.638 -2.803 421 HA ASP 58 HA ASP 58 -7.921 9.866 -1.782 422 HB2 ASP 58 1HB ASP 58 -8.917 8.273 -3.376 423 HB3 ASP 58 2HB ASP 58 -8.850 6.986 -2.176 424 H SER 59 H SER 59 -8.806 10.309 0.256 425 HA SER 59 HA SER 59 -7.271 9.598 2.463 426 HB2 SER 59 1HB SER 59 -10.103 10.707 2.474 427 HB3 SER 59 2HB SER 59 -8.927 10.839 3.790 428 HG SER 59 HG SER 59 -9.171 12.673 2.242 429 H LEU 60 H LEU 60 -10.422 8.288 1.485 430 HA LEU 60 HA LEU 60 -10.898 6.578 3.702 431 HB2 LEU 60 1HB LEU 60 -12.658 7.245 2.114 432 HB3 LEU 60 2HB LEU 60 -11.840 6.409 0.802 433 HG LEU 60 HG LEU 60 -12.259 4.225 1.995 434 HD11 LEU 60 1HD1 LEU 60 -13.958 5.877 3.896 435 HD12 LEU 60 2HD1 LEU 60 -12.472 5.018 4.304 436 HD13 LEU 60 3HD1 LEU 60 -13.905 4.113 3.824 437 HD21 LEU 60 3HD2 LEU 60 -14.633 4.075 1.403 438 HD22 LEU 60 1HD2 LEU 60 -13.735 4.982 0.187 439 HD23 LEU 60 2HD2 LEU 60 -14.751 5.836 1.353 440 H VAL 61 H VAL 61 -9.281 6.119 0.595 441 HA VAL 61 HA VAL 61 -8.759 3.312 0.933 442 HB VAL 61 HB VAL 61 -7.487 5.232 -1.080 443 HG11 VAL 61 1HG1 VAL 61 -7.122 3.195 -2.451 444 HG12 VAL 61 2HG1 VAL 61 -7.806 2.201 -1.163 445 HG13 VAL 61 3HG1 VAL 61 -6.299 3.075 -0.895 446 HG21 VAL 61 3HG2 VAL 61 -9.274 4.528 -2.646 447 HG22 VAL 61 1HG2 VAL 61 -9.957 5.319 -1.224 448 HG23 VAL 61 2HG2 VAL 61 -10.026 3.561 -1.372 449 H VAL 62 H VAL 62 -7.049 6.250 1.827 450 HA VAL 62 HA VAL 62 -4.494 5.048 2.390 451 HB VAL 62 HB VAL 62 -5.747 7.625 3.489 452 HG11 VAL 62 1HG1 VAL 62 -2.852 6.701 3.734 453 HG12 VAL 62 2HG1 VAL 62 -4.013 6.837 5.054 454 HG13 VAL 62 3HG1 VAL 62 -3.463 8.287 4.217 455 HG21 VAL 62 3HG2 VAL 62 -4.248 8.783 1.887 456 HG22 VAL 62 1HG2 VAL 62 -5.361 7.696 1.061 457 HG23 VAL 62 2HG2 VAL 62 -3.677 7.224 1.287 458 H SER 63 H SER 63 -7.502 5.553 4.167 459 HA SER 63 HA SER 63 -6.645 4.493 6.685 460 HB2 SER 63 1HB SER 63 -9.463 4.647 5.516 461 HB3 SER 63 2HB SER 63 -9.049 4.416 7.215 462 HG SER 63 HG SER 63 -8.163 6.682 5.757 463 H GLU 64 H GLU 64 -7.923 3.086 3.717 464 HA GLU 64 HA GLU 64 -8.170 0.393 4.713 465 HB2 GLU 64 1HB GLU 64 -8.129 1.498 1.886 466 HB3 GLU 64 2HB GLU 64 -8.443 -0.191 2.278 467 HG2 GLU 64 1HG GLU 64 -10.471 0.393 3.483 468 HG3 GLU 64 2HG GLU 64 -10.125 2.113 3.305 469 H LEU 65 H LEU 65 -5.614 2.302 3.240 470 HA LEU 65 HA LEU 65 -3.858 0.145 2.564 471 HB2 LEU 65 1HB LEU 65 -3.767 3.076 2.391 472 HB3 LEU 65 2HB LEU 65 -2.244 2.472 3.002 473 HG LEU 65 HG LEU 65 -2.109 2.764 0.589 474 HD11 LEU 65 1HD1 LEU 65 -1.349 0.545 -0.109 475 HD12 LEU 65 2HD1 LEU 65 -2.162 -0.187 1.277 476 HD13 LEU 65 3HD1 LEU 65 -0.811 0.921 1.527 477 HD21 LEU 65 3HD2 LEU 65 -4.483 2.571 0.041 478 HD22 LEU 65 1HD2 LEU 65 -4.430 0.832 0.344 479 HD23 LEU 65 2HD2 LEU 65 -3.500 1.530 -0.984 480 H SER 66 H SER 66 -4.028 2.429 5.312 481 HA SER 66 HA SER 66 -1.964 1.308 6.860 482 HB2 SER 66 1HB SER 66 -3.137 2.477 8.798 483 HB3 SER 66 2HB SER 66 -2.750 3.509 7.423 484 HG SER 66 HG SER 66 -5.224 2.645 8.365 485 H LEU 67 H LEU 67 -5.438 0.568 6.660 486 HA LEU 67 HA LEU 67 -5.708 -1.338 8.694 487 HB2 LEU 67 1HB LEU 67 -7.628 -0.423 7.491 488 HB3 LEU 67 2HB LEU 67 -7.081 -1.145 5.986 489 HG LEU 67 HG LEU 67 -7.473 -3.430 7.020 490 HD11 LEU 67 1HD1 LEU 67 -8.832 -1.866 9.243 491 HD12 LEU 67 2HD1 LEU 67 -7.370 -2.842 9.395 492 HD13 LEU 67 3HD1 LEU 67 -8.907 -3.617 9.022 493 HD21 LEU 67 3HD2 LEU 67 -9.913 -3.395 6.716 494 HD22 LEU 67 1HD2 LEU 67 -9.098 -2.447 5.472 495 HD23 LEU 67 2HD2 LEU 67 -9.911 -1.631 6.811 496 H LYS 68 H LYS 68 -4.883 -1.815 5.271 497 HA LYS 68 HA LYS 68 -4.686 -4.645 5.378 498 HB2 LYS 68 1HB LYS 68 -3.856 -2.606 3.299 499 HB3 LYS 68 2HB LYS 68 -3.572 -4.326 3.068 500 HG2 LYS 68 1HG LYS 68 -6.291 -3.029 3.460 501 HG3 LYS 68 2HG LYS 68 -5.615 -3.562 1.922 502 HD2 LYS 68 1HD LYS 68 -6.293 -5.348 4.288 503 HD3 LYS 68 2HD LYS 68 -7.213 -5.215 2.789 504 HE2 LYS 68 1HE LYS 68 -5.266 -6.101 1.528 505 HE3 LYS 68 2HE LYS 68 -4.367 -6.266 3.039 506 HZ1 LYS 68 3HZ LYS 68 -6.052 -7.823 3.806 507 HZ2 LYS 68 1HZ LYS 68 -5.332 -8.355 2.371 508 HZ3 LYS 68 2HZ LYS 68 -6.881 -7.679 2.344 509 H LEU 69 H LEU 69 -2.105 -2.194 4.864 510 HA LEU 69 HA LEU 69 0.092 -3.888 4.887 511 HB2 LEU 69 1HB LEU 69 -0.044 -1.023 5.906 512 HB3 LEU 69 2HB LEU 69 1.443 -1.882 5.547 513 HG LEU 69 HG LEU 69 -0.684 -1.104 3.512 514 HD11 LEU 69 1HD1 LEU 69 0.984 0.483 2.648 515 HD12 LEU 69 2HD1 LEU 69 2.091 0.040 3.950 516 HD13 LEU 69 3HD1 LEU 69 0.562 0.839 4.324 517 HD21 LEU 69 3HD2 LEU 69 2.002 -2.455 3.029 518 HD22 LEU 69 1HD2 LEU 69 0.899 -1.872 1.781 519 HD23 LEU 69 2HD2 LEU 69 0.416 -3.202 2.828 520 H ARG 70 H ARG 70 -1.631 -2.496 7.631 521 HA ARG 70 HA ARG 70 0.086 -2.948 9.770 522 HB2 ARG 70 1HB ARG 70 -2.057 -1.649 9.744 523 HB3 ARG 70 2HB ARG 70 -2.952 -3.157 9.770 524 HG2 ARG 70 1HG ARG 70 -2.252 -3.624 12.028 525 HG3 ARG 70 2HG ARG 70 -1.053 -2.326 11.988 526 HD2 ARG 70 1HD ARG 70 -2.944 -0.684 11.677 527 HD3 ARG 70 2HD ARG 70 -4.077 -2.013 11.936 528 HE ARG 70 HE ARG 70 -2.421 -2.029 14.134 529 HH11 ARG 70 1HH1 ARG 70 -4.603 0.321 12.685 530 HH12 ARG 70 2HH1 ARG 70 -4.912 1.141 14.183 531 HH21 ARG 70 1HH2 ARG 70 -2.851 -0.925 16.107 532 HH22 ARG 70 2HH2 ARG 70 -3.942 0.424 16.118 533 H LYS 71 H LYS 71 -2.304 -5.208 8.363 534 HA LYS 71 HA LYS 71 -1.460 -7.357 10.216 535 HB2 LYS 71 1HB LYS 71 -3.849 -7.214 8.334 536 HB3 LYS 71 2HB LYS 71 -3.522 -8.530 9.450 537 HG2 LYS 71 1HG LYS 71 -3.864 -5.715 10.503 538 HG3 LYS 71 2HG LYS 71 -5.277 -6.674 10.082 539 HD2 LYS 71 1HD LYS 71 -4.940 -6.939 12.451 540 HD3 LYS 71 2HD LYS 71 -4.463 -8.459 11.703 541 HE2 LYS 71 1HE LYS 71 -2.918 -7.813 13.509 542 HE3 LYS 71 2HE LYS 71 -2.083 -7.841 11.954 543 HZ1 LYS 71 3HZ LYS 71 -2.291 -5.454 11.850 544 HZ2 LYS 71 1HZ LYS 71 -1.488 -5.918 13.261 545 HZ3 LYS 71 2HZ LYS 71 -3.102 -5.418 13.334 546 H GLU 72 H GLU 72 -2.177 -6.897 6.784 547 HA GLU 72 HA GLU 72 -1.454 -9.307 5.697 548 HB2 GLU 72 1HB GLU 72 -2.610 -7.321 4.571 549 HB3 GLU 72 2HB GLU 72 -1.022 -6.615 4.335 550 HG2 GLU 72 1HG GLU 72 -1.598 -7.615 2.270 551 HG3 GLU 72 2HG GLU 72 -0.426 -8.712 2.991 552 H PHE 73 H PHE 73 0.658 -6.453 6.127 553 HA PHE 73 HA PHE 73 3.048 -8.114 5.497 554 HB2 PHE 73 1HB PHE 73 2.623 -5.132 5.032 555 HB3 PHE 73 2HB PHE 73 4.137 -5.990 4.743 556 HD1 PHE 73 HD1 PHE 73 4.094 -7.949 3.036 557 HD2 PHE 73 HD2 PHE 73 0.983 -5.021 3.300 558 HE1 PHE 73 HE1 PHE 73 3.347 -8.533 0.770 559 HE2 PHE 73 HE2 PHE 73 0.253 -5.609 1.032 560 HZ PHE 73 HZ PHE 73 1.428 -7.365 -0.233 561 H GLY 74 H GLY 74 1.472 -6.399 7.969 562 HA2 GLY 74 1HA GLY 74 2.097 -6.116 10.188 563 HA3 GLY 74 2HA GLY 74 3.750 -6.562 9.784 564 H VAL 75 H VAL 75 3.127 -4.348 7.538 565 HA VAL 75 HA VAL 75 4.800 -2.366 8.737 566 HB VAL 75 HB VAL 75 3.320 -2.315 6.055 567 HG11 VAL 75 1HG1 VAL 75 4.077 -0.075 6.685 568 HG12 VAL 75 2HG1 VAL 75 5.034 -0.674 5.331 569 HG13 VAL 75 3HG1 VAL 75 5.711 -0.675 6.963 570 HG21 VAL 75 3HG2 VAL 75 4.790 -4.290 6.234 571 HG22 VAL 75 1HG2 VAL 75 6.155 -3.256 6.665 572 HG23 VAL 75 2HG2 VAL 75 5.435 -3.146 5.059 573 H THR 76 H THR 76 3.755 -1.348 10.444 574 HA THR 76 HA THR 76 1.106 -0.085 9.970 575 HB THR 76 HB THR 76 0.978 -2.004 11.542 576 HG1 THR 76 HG1 THR 76 0.065 -0.675 13.333 577 HG21 THR 76 3HG2 THR 76 3.249 -1.891 12.547 578 HG22 THR 76 1HG2 THR 76 1.994 -1.874 13.790 579 HG23 THR 76 2HG2 THR 76 2.816 -0.379 13.345 580 H GLY 77 H GLY 77 0.660 1.765 11.501 581 HA2 GLY 77 1HA GLY 77 1.096 3.890 12.219 582 HA3 GLY 77 2HA GLY 77 2.723 3.365 12.634 583 H VAL 78 H VAL 78 1.726 2.907 9.391 584 HA VAL 78 HA VAL 78 3.631 4.940 8.438 585 HB VAL 78 HB VAL 78 3.622 3.651 6.313 586 HG11 VAL 78 1HG1 VAL 78 4.859 1.699 7.123 587 HG12 VAL 78 2HG1 VAL 78 4.190 1.912 8.740 588 HG13 VAL 78 3HG1 VAL 78 5.278 3.128 8.066 589 HG21 VAL 78 3HG2 VAL 78 1.323 2.726 6.384 590 HG22 VAL 78 1HG2 VAL 78 1.768 1.690 7.746 591 HG23 VAL 78 2HG2 VAL 78 2.510 1.445 6.163 592 H ASP 79 H ASP 79 0.547 5.037 9.127 593 HA ASP 79 HA ASP 79 -0.911 5.802 6.862 594 HB2 ASP 79 1HB ASP 79 -2.451 6.921 8.497 595 HB3 ASP 79 2HB ASP 79 -2.028 5.274 8.962 596 H ASP 80 H ASP 80 1.253 7.635 8.936 597 HA ASP 80 HA ASP 80 0.863 10.268 8.088 598 HB2 ASP 80 1HB ASP 80 2.232 9.784 10.021 599 HB3 ASP 80 2HB ASP 80 3.323 8.771 9.087 600 H GLU 81 H GLU 81 3.264 7.899 6.948 601 HA GLU 81 HA GLU 81 4.215 9.608 4.831 602 HB2 GLU 81 1HB GLU 81 5.736 7.662 4.338 603 HB3 GLU 81 2HB GLU 81 5.852 8.317 5.961 604 HG2 GLU 81 1HG GLU 81 4.276 6.420 6.674 605 HG3 GLU 81 2HG GLU 81 4.598 5.713 5.098 606 H LEU 82 H LEU 82 1.856 7.092 5.065 607 HA LEU 82 HA LEU 82 1.452 6.479 2.324 608 HB2 LEU 82 1HB LEU 82 -0.379 6.420 4.741 609 HB3 LEU 82 2HB LEU 82 -1.021 6.083 3.144 610 HG LEU 82 HG LEU 82 1.262 4.488 4.368 611 HD11 LEU 82 1HD1 LEU 82 -1.691 3.797 4.389 612 HD12 LEU 82 2HD1 LEU 82 -0.711 4.223 5.791 613 HD13 LEU 82 3HD1 LEU 82 -0.375 2.738 4.906 614 HD21 LEU 82 3HD2 LEU 82 0.727 2.824 2.643 615 HD22 LEU 82 1HD2 LEU 82 1.107 4.376 1.897 616 HD23 LEU 82 2HD2 LEU 82 -0.574 3.844 2.021 617 H ASP 83 H ASP 83 0.201 9.034 4.424 618 HA ASP 83 HA ASP 83 -1.379 10.417 2.497 619 HB2 ASP 83 1HB ASP 83 -1.739 10.795 4.872 620 HB3 ASP 83 2HB ASP 83 -0.074 11.299 5.109 621 H LEU 84 H LEU 84 2.034 10.551 3.421 622 HA LEU 84 HA LEU 84 2.695 12.878 1.837 623 HB2 LEU 84 1HB LEU 84 4.513 10.836 3.157 624 HB3 LEU 84 2HB LEU 84 5.040 12.361 2.461 625 HG LEU 84 HG LEU 84 3.234 12.045 4.889 626 HD11 LEU 84 1HD1 LEU 84 5.094 12.971 6.184 627 HD12 LEU 84 2HD1 LEU 84 6.098 13.014 4.732 628 HD13 LEU 84 3HD1 LEU 84 5.557 11.466 5.385 629 HD21 LEU 84 3HD2 LEU 84 3.399 14.498 5.143 630 HD22 LEU 84 1HD2 LEU 84 2.586 14.054 3.643 631 HD23 LEU 84 2HD2 LEU 84 4.263 14.602 3.610 632 H LEU 85 H LEU 85 2.043 9.719 0.906 633 HA LEU 85 HA LEU 85 4.010 9.387 -1.170 634 HB2 LEU 85 1HB LEU 85 1.351 8.013 -0.674 635 HB3 LEU 85 2HB LEU 85 2.391 7.603 -2.032 636 HG LEU 85 HG LEU 85 3.171 7.337 0.889 637 HD11 LEU 85 1HD1 LEU 85 2.372 5.193 -1.078 638 HD12 LEU 85 2HD1 LEU 85 1.433 5.739 0.314 639 HD13 LEU 85 3HD1 LEU 85 2.976 4.926 0.558 640 HD21 LEU 85 3HD2 LEU 85 5.143 7.760 -0.524 641 HD22 LEU 85 1HD2 LEU 85 4.670 6.443 -1.605 642 HD23 LEU 85 2HD2 LEU 85 5.141 6.099 0.059 643 H GLU 86 H GLU 86 3.921 9.887 -3.277 644 HA GLU 86 HA GLU 86 1.466 11.058 -4.475 645 HB2 GLU 86 1HB GLU 86 2.936 12.549 -5.806 646 HB3 GLU 86 2HB GLU 86 3.120 12.849 -4.081 647 HG2 GLU 86 1HG GLU 86 5.225 11.569 -4.046 648 HG3 GLU 86 2HG GLU 86 5.034 11.173 -5.753 649 H THR 87 H THR 87 3.407 8.432 -4.408 650 HA THR 87 HA THR 87 3.060 7.610 -7.165 651 HB THR 87 HB THR 87 5.698 7.071 -7.164 652 HG1 THR 87 HG1 THR 87 6.888 8.396 -5.958 653 HG21 THR 87 3HG2 THR 87 4.604 8.474 -8.887 654 HG22 THR 87 1HG2 THR 87 6.176 9.130 -8.411 655 HG23 THR 87 2HG2 THR 87 4.690 9.867 -7.807 656 H VAL 88 H VAL 88 3.144 5.393 -7.420 657 HA VAL 88 HA VAL 88 2.682 3.826 -5.048 658 HB VAL 88 HB VAL 88 2.586 3.108 -8.014 659 HG11 VAL 88 1HG1 VAL 88 1.744 1.368 -5.668 660 HG12 VAL 88 2HG1 VAL 88 3.087 1.064 -6.771 661 HG13 VAL 88 3HG1 VAL 88 1.431 1.012 -7.372 662 HG21 VAL 88 3HG2 VAL 88 0.129 3.099 -7.704 663 HG22 VAL 88 1HG2 VAL 88 0.825 4.674 -7.313 664 HG23 VAL 88 2HG2 VAL 88 0.337 3.579 -6.019 665 H ASP 89 H ASP 89 5.279 4.063 -7.450 666 HA ASP 89 HA ASP 89 6.785 1.795 -6.719 667 HB2 ASP 89 1HB ASP 89 7.198 3.135 -8.763 668 HB3 ASP 89 2HB ASP 89 7.764 4.478 -7.773 669 H GLU 90 H GLU 90 6.748 5.097 -5.448 670 HA GLU 90 HA GLU 90 8.725 4.786 -3.438 671 HB2 GLU 90 1HB GLU 90 6.551 6.792 -4.009 672 HB3 GLU 90 2HB GLU 90 7.328 6.836 -2.431 673 HG2 GLU 90 1HG GLU 90 8.280 8.433 -4.090 674 HG3 GLU 90 2HG GLU 90 9.462 7.343 -3.387 675 H LEU 91 H LEU 91 5.228 4.087 -3.469 676 HA LEU 91 HA LEU 91 4.969 3.421 -0.710 677 HB2 LEU 91 1HB LEU 91 2.976 3.738 -2.003 678 HB3 LEU 91 2HB LEU 91 3.436 2.486 -3.144 679 HG LEU 91 HG LEU 91 3.042 0.736 -1.446 680 HD11 LEU 91 1HD1 LEU 91 3.625 1.939 0.621 681 HD12 LEU 91 2HD1 LEU 91 2.033 1.202 0.750 682 HD13 LEU 91 3HD1 LEU 91 2.177 2.937 0.467 683 HD21 LEU 91 3HD2 LEU 91 0.608 0.908 -1.290 684 HD22 LEU 91 1HD2 LEU 91 1.193 1.397 -2.877 685 HD23 LEU 91 2HD2 LEU 91 0.692 2.622 -1.708 686 H PHE 92 H PHE 92 5.967 1.455 -3.518 687 HA PHE 92 HA PHE 92 6.263 -0.991 -2.135 688 HB2 PHE 92 1HB PHE 92 7.557 0.090 -4.660 689 HB3 PHE 92 2HB PHE 92 8.035 -1.474 -4.006 690 HD1 PHE 92 HD1 PHE 92 6.336 -3.322 -3.803 691 HD2 PHE 92 HD2 PHE 92 5.438 0.318 -5.872 692 HE1 PHE 92 HE1 PHE 92 4.397 -4.395 -4.867 693 HE2 PHE 92 HE2 PHE 92 3.520 -0.775 -6.932 694 HZ PHE 92 HZ PHE 92 2.981 -3.116 -6.429 695 H GLN 93 H GLN 93 8.591 1.636 -2.767 696 HA GLN 93 HA GLN 93 10.783 0.599 -1.317 697 HB2 GLN 93 1HB GLN 93 10.030 3.469 -1.977 698 HB3 GLN 93 2HB GLN 93 11.592 2.994 -1.313 699 HG2 GLN 93 1HG GLN 93 12.073 1.653 -3.300 700 HG3 GLN 93 2HG GLN 93 10.471 2.020 -3.955 701 HE21 GLN 93 2HE2 GLN 93 10.112 4.069 -4.849 702 HE22 GLN 93 1HE2 GLN 93 11.388 5.183 -5.184 703 H LEU 94 H LEU 94 7.973 2.411 -0.249 704 HA LEU 94 HA LEU 94 8.719 3.130 2.373 705 HB2 LEU 94 1HB LEU 94 6.727 3.970 1.137 706 HB3 LEU 94 2HB LEU 94 5.976 2.397 1.227 707 HG LEU 94 HG LEU 94 6.546 4.075 3.707 708 HD11 LEU 94 1HD1 LEU 94 4.012 4.039 2.037 709 HD12 LEU 94 2HD1 LEU 94 5.120 5.396 2.246 710 HD13 LEU 94 3HD1 LEU 94 4.185 4.809 3.617 711 HD21 LEU 94 3HD2 LEU 94 4.751 2.732 4.763 712 HD22 LEU 94 1HD2 LEU 94 6.084 1.716 4.224 713 HD23 LEU 94 2HD2 LEU 94 4.592 1.775 3.288 714 H VAL 95 H VAL 95 6.859 0.337 1.213 715 HA VAL 95 HA VAL 95 6.668 -1.009 3.686 716 HB VAL 95 HB VAL 95 6.335 -2.059 0.839 717 HG11 VAL 95 1HG1 VAL 95 5.050 -3.945 1.798 718 HG12 VAL 95 2HG1 VAL 95 5.445 -3.394 3.426 719 HG13 VAL 95 3HG1 VAL 95 6.726 -3.962 2.355 720 HG21 VAL 95 3HG2 VAL 95 3.907 -1.762 1.251 721 HG22 VAL 95 1HG2 VAL 95 4.776 -0.235 1.392 722 HG23 VAL 95 2HG2 VAL 95 4.254 -1.089 2.846 723 H GLU 96 H GLU 96 8.966 -1.300 0.982 724 HA GLU 96 HA GLU 96 10.385 -3.579 1.921 725 HB2 GLU 96 1HB GLU 96 11.193 -1.371 -0.011 726 HB3 GLU 96 2HB GLU 96 12.181 -2.794 0.295 727 HG2 GLU 96 1HG GLU 96 10.421 -4.259 -0.604 728 HG3 GLU 96 2HG GLU 96 9.356 -2.874 -0.820 729 H LYS 97 H LYS 97 10.786 -0.090 2.480 730 HA LYS 97 HA LYS 97 13.322 -0.202 3.770 731 HB2 LYS 97 1HB LYS 97 12.197 1.878 2.816 732 HB3 LYS 97 2HB LYS 97 11.143 1.895 4.215 733 HG2 LYS 97 1HG LYS 97 14.159 2.039 4.522 734 HG3 LYS 97 2HG LYS 97 13.205 3.478 4.178 735 HD2 LYS 97 1HD LYS 97 11.946 3.187 6.265 736 HD3 LYS 97 2HD LYS 97 12.798 1.678 6.597 737 HE2 LYS 97 1HE LYS 97 14.926 2.923 6.785 738 HE3 LYS 97 2HE LYS 97 14.071 4.430 6.445 739 HZ1 LYS 97 3HZ LYS 97 12.820 4.164 8.458 740 HZ2 LYS 97 1HZ LYS 97 14.467 4.080 8.819 741 HZ3 LYS 97 2HZ LYS 97 13.538 2.669 8.777 742 H HIS 98 H HIS 98 9.984 -0.197 4.986 743 HA HIS 98 HA HIS 98 10.650 -0.472 7.763 744 HB2 HIS 98 1HB HIS 98 8.044 -0.748 6.212 745 HB3 HIS 98 2HB HIS 98 8.130 -1.053 7.945 746 HD1 HIS 98 HD1 HIS 98 7.783 0.913 9.407 747 HD2 HIS 98 HD2 HIS 98 8.901 2.056 5.573 748 HE1 HIS 98 HE1 HIS 98 7.653 3.411 9.380 749 HE2 HIS 98 HE2 HIS 98 8.176 4.062 7.014 750 H ARG 99 H ARG 99 10.244 -2.723 5.147 751 HA ARG 99 HA ARG 99 9.867 -5.094 6.755 752 HB2 ARG 99 1HB ARG 99 9.078 -4.822 4.352 753 HB3 ARG 99 2HB ARG 99 10.750 -4.891 3.831 754 HG2 ARG 99 1HG ARG 99 9.615 -7.183 5.430 755 HG3 ARG 99 2HG ARG 99 9.198 -7.035 3.726 756 HD2 ARG 99 1HD ARG 99 11.546 -7.165 3.099 757 HD3 ARG 99 2HD ARG 99 12.029 -7.173 4.801 758 HE ARG 99 HE ARG 99 10.230 -9.308 4.204 759 HH11 ARG 99 1HH1 ARG 99 13.618 -8.398 3.926 760 HH12 ARG 99 2HH1 ARG 99 14.175 -10.038 3.931 761 HH21 ARG 99 1HH2 ARG 99 10.996 -11.446 4.227 762 HH22 ARG 99 2HH2 ARG 99 12.697 -11.756 4.099 763 H ALA 100 H ALA 100 12.576 -3.361 5.297 764 HA ALA 100 HA ALA 100 14.615 -5.218 6.201 765 HB1 ALA 100 3HB ALA 100 16.204 -3.569 5.303 766 HB2 ALA 100 1HB ALA 100 14.878 -2.425 5.050 767 HB3 ALA 100 2HB ALA 100 14.933 -3.931 4.134 768 H ALA 101 H ALA 101 12.840 -2.643 7.553 769 HA ALA 101 HA ALA 101 12.872 -1.357 9.396 770 HB1 ALA 101 3HB ALA 101 13.225 -3.472 10.619 771 HB2 ALA 101 1HB ALA 101 14.038 -2.124 11.422 772 HB3 ALA 101 2HB ALA 101 14.970 -3.276 10.460 773 H GLY 102 H GLY 102 15.020 -1.124 7.139 774 HA2 GLY 102 1HA GLY 102 16.785 0.191 6.529 775 HA3 GLY 102 2HA GLY 102 16.325 1.246 7.855 776 H SER 103 H SER 103 17.412 -2.130 8.092 777 HA SER 103 HA SER 103 19.332 -1.461 10.147 778 HB2 SER 103 1HB SER 103 18.727 -4.164 8.858 779 HB3 SER 103 2HB SER 103 19.636 -3.895 10.352 780 HG SER 103 HG SER 103 16.890 -3.476 9.843 Start of MODEL 20 1 H1 MET 1 1H MET 1 -23.145 -37.152 27.673 2 H2 MET 1 2H MET 1 -22.638 -36.005 26.539 3 H3 MET 1 3H MET 1 -21.530 -37.112 27.176 4 HA MET 1 HA MET 1 -22.633 -38.935 26.134 5 HB2 MET 1 1HB MET 1 -24.536 -38.564 24.582 6 HB3 MET 1 2HB MET 1 -24.933 -38.068 26.220 7 HG2 MET 1 1HG MET 1 -24.135 -36.168 24.005 8 HG3 MET 1 2HG MET 1 -25.796 -36.516 24.492 9 HE1 MET 1 3HE MET 1 -26.184 -33.872 24.792 10 HE2 MET 1 1HE MET 1 -24.505 -33.515 24.385 11 HE3 MET 1 2HE MET 1 -25.217 -32.857 25.859 12 H GLY 2 H GLY 2 -22.369 -39.489 23.809 13 HA2 GLY 2 1HA GLY 2 -21.593 -38.533 21.591 14 HA3 GLY 2 2HA GLY 2 -20.293 -37.799 22.522 15 H SER 3 H SER 3 -19.500 -39.302 20.516 16 HA SER 3 HA SER 3 -17.954 -41.378 21.774 17 HB2 SER 3 1HB SER 3 -18.691 -43.162 20.059 18 HB3 SER 3 2HB SER 3 -19.850 -42.802 21.333 19 HG SER 3 HG SER 3 -20.884 -41.378 19.824 20 H SER 4 H SER 4 -15.979 -41.422 20.830 21 HA SER 4 HA SER 4 -15.428 -39.724 18.537 22 HB2 SER 4 1HB SER 4 -13.545 -41.385 20.274 23 HB3 SER 4 2HB SER 4 -13.048 -40.201 19.064 24 HG SER 4 HG SER 4 -14.477 -38.732 20.393 25 H HIS 5 H HIS 5 -16.280 -40.773 16.739 26 HA HIS 5 HA HIS 5 -15.549 -43.519 16.081 27 HB2 HIS 5 1HB HIS 5 -17.208 -41.490 14.520 28 HB3 HIS 5 2HB HIS 5 -16.956 -43.171 14.047 29 HD1 HIS 5 HD1 HIS 5 -18.027 -44.998 15.699 30 HD2 HIS 5 HD2 HIS 5 -19.281 -41.089 16.309 31 HE1 HIS 5 HE1 HIS 5 -20.134 -45.175 17.038 32 HE2 HIS 5 HE2 HIS 5 -20.734 -42.801 17.575 33 H ASP 6 H ASP 6 -13.744 -44.002 15.002 34 HA ASP 6 HA ASP 6 -12.044 -42.058 13.763 35 HB2 ASP 6 1HB ASP 6 -11.960 -45.106 13.778 36 HB3 ASP 6 2HB ASP 6 -10.759 -44.125 12.940 37 H HIS 7 H HIS 7 -12.019 -41.368 11.718 38 HA HIS 7 HA HIS 7 -13.503 -42.766 9.602 39 HB2 HIS 7 1HB HIS 7 -14.944 -40.941 10.831 40 HB3 HIS 7 2HB HIS 7 -13.908 -39.776 10.021 41 HD1 HIS 7 HD1 HIS 7 -13.917 -40.066 7.252 42 HD2 HIS 7 HD2 HIS 7 -17.092 -41.711 9.372 43 HE1 HIS 7 HE1 HIS 7 -15.735 -40.454 5.571 44 HE2 HIS 7 HE2 HIS 7 -17.661 -41.392 6.886 45 H HIS 8 H HIS 8 -12.727 -42.263 7.507 46 HA HIS 8 HA HIS 8 -10.222 -40.670 7.375 47 HB2 HIS 8 1HB HIS 8 -9.291 -42.351 5.799 48 HB3 HIS 8 2HB HIS 8 -9.606 -43.046 7.379 49 HD1 HIS 8 HD1 HIS 8 -10.515 -43.393 3.794 50 HD2 HIS 8 HD2 HIS 8 -11.815 -44.882 7.445 51 HE1 HIS 8 HE1 HIS 8 -11.950 -45.376 3.245 52 HE2 HIS 8 HE2 HIS 8 -12.672 -46.297 5.470 53 H HIS 9 H HIS 9 -9.703 -39.844 5.276 54 HA HIS 9 HA HIS 9 -11.791 -39.754 3.217 55 HB2 HIS 9 1HB HIS 9 -12.329 -37.756 4.495 56 HB3 HIS 9 2HB HIS 9 -10.636 -37.292 4.619 57 HD1 HIS 9 HD1 HIS 9 -12.930 -38.022 1.649 58 HD2 HIS 9 HD2 HIS 9 -10.251 -35.146 2.981 59 HE1 HIS 9 HE1 HIS 9 -12.791 -36.337 -0.191 60 HE2 HIS 9 HE2 HIS 9 -11.051 -34.694 0.568 61 H HIS 10 H HIS 10 -10.714 -40.541 1.511 62 HA HIS 10 HA HIS 10 -7.863 -40.278 1.146 63 HB2 HIS 10 1HB HIS 10 -9.150 -42.301 0.393 64 HB3 HIS 10 2HB HIS 10 -9.997 -41.313 -0.793 65 HD1 HIS 10 HD1 HIS 10 -6.725 -43.007 -0.149 66 HD2 HIS 10 HD2 HIS 10 -8.446 -40.625 -3.091 67 HE1 HIS 10 HE1 HIS 10 -5.218 -43.193 -2.139 68 HE2 HIS 10 HE2 HIS 10 -6.259 -41.727 -3.899 69 H SER 11 H SER 11 -7.156 -38.259 0.719 70 HA SER 11 HA SER 11 -8.404 -36.648 -1.429 71 HB2 SER 11 1HB SER 11 -7.718 -34.616 -0.042 72 HB3 SER 11 2HB SER 11 -9.003 -35.591 0.660 73 HG SER 11 HG SER 11 -6.605 -34.977 1.693 74 H SER 12 H SER 12 -7.012 -35.500 -2.738 75 HA SER 12 HA SER 12 -4.264 -36.398 -2.936 76 HB2 SER 12 1HB SER 12 -5.849 -34.393 -4.609 77 HB3 SER 12 2HB SER 12 -4.248 -35.019 -5.010 78 HG SER 12 HG SER 12 -6.455 -36.724 -4.563 79 H GLY 13 H GLY 13 -2.646 -35.431 -1.826 80 HA2 GLY 13 1HA GLY 13 -2.964 -32.881 -0.467 81 HA3 GLY 13 2HA GLY 13 -1.583 -33.961 -0.382 82 H ARG 14 H ARG 14 -3.222 -32.037 -2.901 83 HA ARG 14 HA ARG 14 -0.621 -31.156 -4.002 84 HB2 ARG 14 1HB ARG 14 -2.277 -32.333 -5.516 85 HB3 ARG 14 2HB ARG 14 -3.416 -31.025 -5.245 86 HG2 ARG 14 1HG ARG 14 -2.337 -30.761 -7.412 87 HG3 ARG 14 2HG ARG 14 -1.863 -29.439 -6.343 88 HD2 ARG 14 1HD ARG 14 0.098 -30.121 -7.516 89 HD3 ARG 14 2HD ARG 14 0.272 -30.722 -5.868 90 HE ARG 14 HE ARG 14 -0.858 -32.797 -7.292 91 HH11 ARG 14 1HH1 ARG 14 2.154 -30.985 -7.476 92 HH12 ARG 14 2HH1 ARG 14 3.014 -32.270 -8.259 93 HH21 ARG 14 1HH2 ARG 14 0.289 -34.463 -8.309 94 HH22 ARG 14 2HH2 ARG 14 1.962 -34.244 -8.714 95 H GLU 15 H GLU 15 -2.369 -30.131 -1.616 96 HA GLU 15 HA GLU 15 -3.191 -27.457 -2.252 97 HB2 GLU 15 1HB GLU 15 -2.722 -28.809 0.434 98 HB3 GLU 15 2HB GLU 15 -3.544 -27.268 0.209 99 HG2 GLU 15 1HG GLU 15 -5.373 -28.338 -0.964 100 HG3 GLU 15 2HG GLU 15 -4.522 -29.885 -0.970 101 H ASN 16 H ASN 16 -1.346 -26.519 -3.184 102 HA ASN 16 HA ASN 16 0.533 -25.277 -3.346 103 HB2 ASN 16 1HB ASN 16 -0.413 -24.094 -1.331 104 HB3 ASN 16 2HB ASN 16 0.512 -25.173 -0.295 105 HD21 ASN 16 2HD2 ASN 16 1.763 -23.588 0.649 106 HD22 ASN 16 1HD2 ASN 16 2.930 -22.647 -0.212 107 H LEU 17 H LEU 17 2.949 -25.311 -2.962 108 HA LEU 17 HA LEU 17 4.040 -27.498 -1.391 109 HB2 LEU 17 1HB LEU 17 3.661 -28.451 -3.697 110 HB3 LEU 17 2HB LEU 17 4.732 -27.236 -4.356 111 HG LEU 17 HG LEU 17 5.641 -29.666 -3.997 112 HD11 LEU 17 1HD1 LEU 17 7.311 -27.342 -2.991 113 HD12 LEU 17 2HD1 LEU 17 7.129 -27.853 -4.670 114 HD13 LEU 17 3HD1 LEU 17 7.932 -28.912 -3.514 115 HD21 LEU 17 3HD2 LEU 17 5.938 -28.685 -1.134 116 HD22 LEU 17 1HD2 LEU 17 6.602 -30.178 -1.805 117 HD23 LEU 17 2HD2 LEU 17 4.858 -29.970 -1.679 118 H TYR 18 H TYR 18 5.478 -26.548 -0.165 119 HA TYR 18 HA TYR 18 6.687 -23.990 -0.800 120 HB2 TYR 18 1HB TYR 18 7.213 -25.831 1.584 121 HB3 TYR 18 2HB TYR 18 7.656 -24.131 1.458 122 HD1 TYR 18 HD2 TYR 18 5.891 -22.361 1.669 123 HD2 TYR 18 HD1 TYR 18 4.912 -26.499 2.135 124 HE1 TYR 18 HE2 TYR 18 3.749 -21.748 2.711 125 HE2 TYR 18 HE1 TYR 18 2.781 -25.882 3.173 126 HH TYR 18 HH TYR 18 1.743 -24.052 4.310 127 H PHE 19 H PHE 19 7.938 -24.472 -2.629 128 HA PHE 19 HA PHE 19 9.847 -26.538 -2.865 129 HB2 PHE 19 1HB PHE 19 8.989 -25.297 -4.824 130 HB3 PHE 19 2HB PHE 19 9.761 -23.821 -4.258 131 HD1 PHE 19 HD2 PHE 19 10.499 -27.306 -5.427 132 HD2 PHE 19 HD1 PHE 19 12.024 -23.336 -4.911 133 HE1 PHE 19 HE2 PHE 19 12.534 -27.913 -6.666 134 HE2 PHE 19 HE1 PHE 19 14.054 -23.960 -6.148 135 HZ PHE 19 HZ PHE 19 14.314 -26.248 -7.025 136 H GLN 20 H GLN 20 10.282 -23.093 -2.098 137 HA GLN 20 HA GLN 20 12.439 -23.641 -0.227 138 HB2 GLN 20 1HB GLN 20 13.414 -23.381 -2.652 139 HB3 GLN 20 2HB GLN 20 12.984 -21.680 -2.508 140 HG2 GLN 20 1HG GLN 20 14.519 -21.388 -0.652 141 HG3 GLN 20 2HG GLN 20 14.830 -23.120 -0.572 142 HE21 GLN 20 2HE2 GLN 20 15.470 -20.182 -2.360 143 HE22 GLN 20 1HE2 GLN 20 16.786 -20.799 -3.296 144 H GLY 21 H GLY 21 13.165 -21.315 0.688 145 HA2 GLY 21 1HA GLY 21 11.025 -20.110 1.978 146 HA3 GLY 21 2HA GLY 21 12.608 -19.377 1.788 147 H HIS 22 H HIS 22 12.700 -19.019 -0.959 148 HA HIS 22 HA HIS 22 10.834 -16.863 -1.482 149 HB2 HIS 22 1HB HIS 22 13.193 -16.672 -2.215 150 HB3 HIS 22 2HB HIS 22 13.007 -18.091 -3.248 151 HD1 HIS 22 HD1 HIS 22 12.012 -17.691 -5.559 152 HD2 HIS 22 HD2 HIS 22 11.749 -14.333 -3.123 153 HE1 HIS 22 HE1 HIS 22 11.268 -15.824 -7.055 154 HE2 HIS 22 HE2 HIS 22 11.297 -13.780 -5.598 155 H MET 23 H MET 23 8.848 -17.429 -1.982 156 HA MET 23 HA MET 23 8.244 -19.646 -3.846 157 HB2 MET 23 1HB MET 23 5.897 -19.429 -2.905 158 HB3 MET 23 2HB MET 23 7.100 -19.916 -1.722 159 HG2 MET 23 1HG MET 23 7.206 -17.548 -0.926 160 HG3 MET 23 2HG MET 23 5.887 -17.160 -2.033 161 HE1 MET 23 3HE MET 23 4.399 -17.177 1.702 162 HE2 MET 23 1HE MET 23 4.792 -16.138 0.333 163 HE3 MET 23 2HE MET 23 6.085 -16.843 1.307 164 HA PRO 24 HA PRO 24 6.987 -16.779 -7.137 165 HB2 PRO 24 1HB PRO 24 4.513 -18.514 -7.317 166 HB3 PRO 24 2HB PRO 24 5.589 -17.958 -8.610 167 HG2 PRO 24 1HG PRO 24 5.782 -20.463 -7.738 168 HG3 PRO 24 2HG PRO 24 7.268 -19.533 -8.053 169 HD2 PRO 24 1HD PRO 24 5.938 -20.150 -5.410 170 HD3 PRO 24 2HD PRO 24 7.667 -20.161 -5.823 171 H ASN 25 H ASN 25 5.397 -15.155 -7.644 172 HA ASN 25 HA ASN 25 4.175 -13.342 -7.137 173 HB2 ASN 25 1HB ASN 25 2.690 -15.122 -5.140 174 HB3 ASN 25 2HB ASN 25 2.182 -13.497 -5.606 175 HD21 ASN 25 2HD2 ASN 25 1.342 -13.185 -7.719 176 HD22 ASN 25 1HD2 ASN 25 0.788 -14.499 -8.688 177 H ASP 26 H ASP 26 5.566 -11.924 -6.292 178 HA ASP 26 HA ASP 26 6.893 -12.250 -3.744 179 HB2 ASP 26 1HB ASP 26 7.946 -11.248 -5.865 180 HB3 ASP 26 2HB ASP 26 6.950 -9.820 -5.604 181 H MET 27 H MET 27 6.985 -10.273 -2.223 182 HA MET 27 HA MET 27 4.478 -9.586 -1.170 183 HB2 MET 27 1HB MET 27 5.632 -8.287 0.434 184 HB3 MET 27 2HB MET 27 6.796 -9.524 -0.005 185 HG2 MET 27 1HG MET 27 8.075 -7.561 0.100 186 HG3 MET 27 2HG MET 27 7.761 -7.752 -1.630 187 HE1 MET 27 3HE MET 27 8.758 -4.980 -0.707 188 HE2 MET 27 1HE MET 27 7.585 -3.862 -1.412 189 HE3 MET 27 2HE MET 27 8.166 -5.239 -2.347 190 H GLU 28 H GLU 28 6.477 -8.021 -3.611 191 HA GLU 28 HA GLU 28 5.193 -5.546 -3.911 192 HB2 GLU 28 1HB GLU 28 6.527 -7.309 -6.006 193 HB3 GLU 28 2HB GLU 28 6.024 -5.648 -6.306 194 HG2 GLU 28 1HG GLU 28 7.612 -4.858 -4.582 195 HG3 GLU 28 2HG GLU 28 8.117 -6.525 -4.298 196 H ASP 29 H ASP 29 4.538 -8.683 -5.465 197 HA ASP 29 HA ASP 29 2.392 -7.835 -7.110 198 HB2 ASP 29 1HB ASP 29 3.592 -9.926 -7.576 199 HB3 ASP 29 2HB ASP 29 3.072 -10.610 -6.037 200 H HIS 30 H HIS 30 2.567 -9.087 -3.821 201 HA HIS 30 HA HIS 30 -0.260 -9.336 -3.381 202 HB2 HIS 30 1HB HIS 30 2.002 -9.183 -1.341 203 HB3 HIS 30 2HB HIS 30 0.344 -9.684 -1.003 204 HD1 HIS 30 HD1 HIS 30 3.201 -11.331 -0.916 205 HD2 HIS 30 HD2 HIS 30 -0.017 -11.842 -3.491 206 HE1 HIS 30 HE1 HIS 30 3.383 -13.671 -1.767 207 HE2 HIS 30 HE2 HIS 30 1.291 -14.033 -3.104 208 H LEU 31 H LEU 31 2.099 -6.789 -2.983 209 HA LEU 31 HA LEU 31 0.469 -4.954 -1.489 210 HB2 LEU 31 1HB LEU 31 3.138 -5.126 -1.950 211 HB3 LEU 31 2HB LEU 31 2.752 -3.993 -3.227 212 HG LEU 31 HG LEU 31 2.248 -3.558 -0.250 213 HD11 LEU 31 1HD1 LEU 31 4.368 -2.372 -2.067 214 HD12 LEU 31 2HD1 LEU 31 4.626 -3.532 -0.762 215 HD13 LEU 31 3HD1 LEU 31 4.071 -1.902 -0.391 216 HD21 LEU 31 3HD2 LEU 31 1.718 -1.229 -0.826 217 HD22 LEU 31 1HD2 LEU 31 0.585 -2.345 -1.586 218 HD23 LEU 31 2HD2 LEU 31 1.868 -1.606 -2.544 219 H LEU 32 H LEU 32 1.143 -5.610 -4.849 220 HA LEU 32 HA LEU 32 -0.310 -3.489 -6.046 221 HB2 LEU 32 1HB LEU 32 1.507 -4.998 -7.064 222 HB3 LEU 32 2HB LEU 32 0.274 -6.236 -7.222 223 HG LEU 32 HG LEU 32 -1.013 -4.710 -8.743 224 HD11 LEU 32 1HD1 LEU 32 -0.228 -2.543 -7.941 225 HD12 LEU 32 2HD1 LEU 32 0.085 -2.698 -9.666 226 HD13 LEU 32 3HD1 LEU 32 1.408 -2.886 -8.512 227 HD21 LEU 32 3HD2 LEU 32 0.488 -6.404 -9.703 228 HD22 LEU 32 1HD2 LEU 32 1.846 -5.275 -9.631 229 HD23 LEU 32 2HD2 LEU 32 0.475 -4.952 -10.697 230 H THR 33 H THR 33 -1.122 -6.715 -4.881 231 HA THR 33 HA THR 33 -3.824 -6.865 -5.801 232 HB THR 33 HB THR 33 -2.517 -8.314 -3.436 233 HG1 THR 33 HG1 THR 33 -1.710 -8.592 -5.730 234 HG21 THR 33 3HG2 THR 33 -5.055 -9.032 -4.970 235 HG22 THR 33 1HG2 THR 33 -4.994 -8.444 -3.306 236 HG23 THR 33 2HG2 THR 33 -4.300 -10.014 -3.714 237 H VAL 34 H VAL 34 -2.283 -5.718 -2.792 238 HA VAL 34 HA VAL 34 -4.557 -5.019 -1.306 239 HB VAL 34 HB VAL 34 -1.801 -3.692 -1.376 240 HG11 VAL 34 1HG1 VAL 34 -2.356 -2.658 0.818 241 HG12 VAL 34 2HG1 VAL 34 -4.014 -3.244 0.660 242 HG13 VAL 34 3HG1 VAL 34 -3.385 -2.058 -0.485 243 HG21 VAL 34 3HG2 VAL 34 -1.364 -4.964 0.705 244 HG22 VAL 34 1HG2 VAL 34 -1.754 -6.038 -0.636 245 HG23 VAL 34 2HG2 VAL 34 -2.965 -5.699 0.597 246 H LEU 35 H LEU 35 -2.641 -3.090 -3.588 247 HA LEU 35 HA LEU 35 -4.191 -0.743 -3.571 248 HB2 LEU 35 1HB LEU 35 -2.255 -1.907 -5.591 249 HB3 LEU 35 2HB LEU 35 -3.014 -0.339 -5.829 250 HG LEU 35 HG LEU 35 -1.252 -1.036 -3.443 251 HD11 LEU 35 1HD1 LEU 35 -0.537 0.554 -5.928 252 HD12 LEU 35 2HD1 LEU 35 0.089 -1.035 -5.486 253 HD13 LEU 35 3HD1 LEU 35 0.477 0.367 -4.493 254 HD21 LEU 35 3HD2 LEU 35 -2.898 0.701 -2.905 255 HD22 LEU 35 1HD2 LEU 35 -2.433 1.628 -4.336 256 HD23 LEU 35 2HD2 LEU 35 -1.292 1.410 -3.013 257 H SER 36 H SER 36 -4.488 -3.711 -5.456 258 HA SER 36 HA SER 36 -6.309 -2.799 -7.415 259 HB2 SER 36 1HB SER 36 -5.056 -4.923 -7.636 260 HB3 SER 36 2HB SER 36 -5.960 -5.615 -6.291 261 HG SER 36 HG SER 36 -7.558 -4.605 -8.288 262 H VAL 37 H VAL 37 -6.808 -4.380 -4.282 263 HA VAL 37 HA VAL 37 -9.696 -4.353 -4.429 264 HB VAL 37 HB VAL 37 -7.853 -5.030 -2.078 265 HG11 VAL 37 1HG1 VAL 37 -10.117 -4.546 -1.276 266 HG12 VAL 37 2HG1 VAL 37 -9.797 -6.273 -1.141 267 HG13 VAL 37 3HG1 VAL 37 -10.813 -5.663 -2.453 268 HG21 VAL 37 3HG2 VAL 37 -8.202 -7.403 -2.722 269 HG22 VAL 37 1HG2 VAL 37 -7.427 -6.493 -4.018 270 HG23 VAL 37 2HG2 VAL 37 -9.141 -6.894 -4.127 271 H ALA 38 H ALA 38 -7.234 -2.203 -3.268 272 HA ALA 38 HA ALA 38 -8.872 -0.696 -1.421 273 HB1 ALA 38 3HB ALA 38 -6.924 0.785 -1.228 274 HB2 ALA 38 1HB ALA 38 -6.157 -0.020 -2.599 275 HB3 ALA 38 2HB ALA 38 -6.428 -0.903 -1.095 276 H SER 39 H SER 39 -7.696 -0.271 -4.755 277 HA SER 39 HA SER 39 -8.849 2.358 -5.094 278 HB2 SER 39 1HB SER 39 -7.961 2.209 -7.396 279 HB3 SER 39 2HB SER 39 -6.726 1.725 -6.234 280 HG SER 39 HG SER 39 -6.639 -0.124 -7.205 281 H GLY 40 H GLY 40 -9.410 -0.877 -6.480 282 HA2 GLY 40 1HA GLY 40 -11.772 -1.623 -6.725 283 HA3 GLY 40 2HA GLY 40 -12.108 -0.047 -7.434 284 H VAL 41 H VAL 41 -9.374 -0.159 -8.799 285 HA VAL 41 HA VAL 41 -10.185 -1.632 -11.179 286 HB VAL 41 HB VAL 41 -8.319 -0.512 -12.292 287 HG11 VAL 41 1HG1 VAL 41 -10.411 0.761 -12.055 288 HG12 VAL 41 2HG1 VAL 41 -9.013 1.834 -12.084 289 HG13 VAL 41 3HG1 VAL 41 -9.818 1.475 -10.553 290 HG21 VAL 41 3HG2 VAL 41 -6.614 -0.567 -10.536 291 HG22 VAL 41 1HG2 VAL 41 -7.518 0.617 -9.589 292 HG23 VAL 41 2HG2 VAL 41 -6.811 1.076 -11.141 293 HA PRO 42 HA PRO 42 -7.615 -5.198 -10.256 294 HB2 PRO 42 1HB PRO 42 -7.055 -6.193 -12.745 295 HB3 PRO 42 2HB PRO 42 -8.675 -6.267 -12.037 296 HG2 PRO 42 1HG PRO 42 -7.573 -4.282 -14.021 297 HG3 PRO 42 2HG PRO 42 -9.130 -5.142 -14.047 298 HD2 PRO 42 1HD PRO 42 -8.901 -2.568 -13.167 299 HD3 PRO 42 2HD PRO 42 -10.095 -3.696 -12.491 300 H LYS 43 H LYS 43 -5.440 -6.135 -10.572 301 HA LYS 43 HA LYS 43 -3.353 -4.273 -10.266 302 HB2 LYS 43 1HB LYS 43 -3.128 -7.223 -11.008 303 HB3 LYS 43 2HB LYS 43 -1.829 -6.224 -10.366 304 HG2 LYS 43 1HG LYS 43 -3.188 -5.923 -8.267 305 HG3 LYS 43 2HG LYS 43 -4.348 -7.082 -8.917 306 HD2 LYS 43 1HD LYS 43 -1.410 -7.653 -8.349 307 HD3 LYS 43 2HD LYS 43 -2.769 -8.143 -7.337 308 HE2 LYS 43 1HE LYS 43 -3.639 -9.546 -9.168 309 HE3 LYS 43 2HE LYS 43 -2.277 -9.068 -10.189 310 HZ1 LYS 43 3HZ LYS 43 -0.787 -10.054 -8.527 311 HZ2 LYS 43 1HZ LYS 43 -1.852 -11.192 -9.182 312 HZ3 LYS 43 2HZ LYS 43 -2.122 -10.568 -7.633 313 H GLU 44 H GLU 44 -4.637 -5.850 -13.102 314 HA GLU 44 HA GLU 44 -2.488 -5.567 -14.902 315 HB2 GLU 44 1HB GLU 44 -4.493 -7.024 -15.258 316 HB3 GLU 44 2HB GLU 44 -5.478 -5.584 -15.502 317 HG2 GLU 44 1HG GLU 44 -4.270 -5.013 -17.534 318 HG3 GLU 44 2HG GLU 44 -3.107 -6.311 -17.269 319 H GLU 45 H GLU 45 -4.979 -3.293 -13.884 320 HA GLU 45 HA GLU 45 -4.294 -1.286 -15.880 321 HB2 GLU 45 1HB GLU 45 -6.198 -1.089 -13.508 322 HB3 GLU 45 2HB GLU 45 -6.077 0.063 -14.834 323 HG2 GLU 45 1HG GLU 45 -7.004 -2.816 -15.033 324 HG3 GLU 45 2HG GLU 45 -8.024 -1.383 -15.108 325 H ILE 46 H ILE 46 -3.272 -2.145 -12.724 326 HA ILE 46 HA ILE 46 -2.088 0.492 -12.128 327 HB ILE 46 HB ILE 46 -1.992 -1.998 -10.345 328 HG12 ILE 46 1HG1 ILE 46 -4.145 0.186 -10.312 329 HG13 ILE 46 2HG1 ILE 46 -4.385 -1.470 -10.849 330 HG21 ILE 46 1HG2 ILE 46 -1.654 -0.362 -8.495 331 HG22 ILE 46 2HG2 ILE 46 -1.726 0.970 -9.654 332 HG23 ILE 46 3HG2 ILE 46 -0.408 -0.197 -9.735 333 HD11 ILE 46 3HD1 ILE 46 -5.286 -1.147 -8.645 334 HD12 ILE 46 1HD1 ILE 46 -3.725 -0.587 -8.046 335 HD13 ILE 46 2HD1 ILE 46 -3.921 -2.261 -8.573 336 H SER 47 H SER 47 0.168 0.681 -11.738 337 HA SER 47 HA SER 47 1.992 -1.560 -11.937 338 HB2 SER 47 1HB SER 47 1.679 -0.844 -14.345 339 HB3 SER 47 2HB SER 47 2.245 0.775 -13.909 340 HG SER 47 HG SER 47 3.682 -1.676 -13.799 341 H ARG 48 H ARG 48 4.320 -0.604 -11.608 342 HA ARG 48 HA ARG 48 4.491 1.099 -9.381 343 HB2 ARG 48 1HB ARG 48 6.929 1.178 -9.816 344 HB3 ARG 48 2HB ARG 48 6.310 -0.452 -9.970 345 HG2 ARG 48 1HG ARG 48 7.758 -0.395 -11.783 346 HG3 ARG 48 2HG ARG 48 6.266 0.118 -12.565 347 HD2 ARG 48 1HD ARG 48 6.995 2.501 -12.299 348 HD3 ARG 48 2HD ARG 48 8.521 1.929 -11.625 349 HE ARG 48 HE ARG 48 8.433 0.652 -13.991 350 HH11 ARG 48 1HH1 ARG 48 7.943 4.045 -13.229 351 HH12 ARG 48 2HH1 ARG 48 8.611 4.599 -14.728 352 HH21 ARG 48 1HH2 ARG 48 9.310 1.406 -15.951 353 HH22 ARG 48 2HH2 ARG 48 9.388 3.112 -16.266 354 H ASP 49 H ASP 49 4.695 1.720 -12.834 355 HA ASP 49 HA ASP 49 5.021 4.583 -12.622 356 HB2 ASP 49 1HB ASP 49 6.015 3.319 -14.514 357 HB3 ASP 49 2HB ASP 49 4.413 2.819 -15.041 358 H SER 50 H SER 50 3.253 4.965 -11.257 359 HA SER 50 HA SER 50 0.836 5.703 -12.601 360 HB2 SER 50 1HB SER 50 0.294 3.319 -12.112 361 HB3 SER 50 2HB SER 50 0.659 3.580 -10.407 362 HG SER 50 HG SER 50 -1.656 3.771 -11.318 363 H ARG 51 H ARG 51 0.729 7.730 -11.860 364 HA ARG 51 HA ARG 51 1.645 8.628 -9.319 365 HB2 ARG 51 1HB ARG 51 -0.174 9.940 -11.387 366 HB3 ARG 51 2HB ARG 51 0.347 10.747 -9.908 367 HG2 ARG 51 1HG ARG 51 2.708 10.497 -10.614 368 HG3 ARG 51 2HG ARG 51 2.171 9.733 -12.110 369 HD2 ARG 51 1HD ARG 51 2.756 12.127 -12.414 370 HD3 ARG 51 2HD ARG 51 1.071 11.788 -12.812 371 HE ARG 51 HE ARG 51 0.396 12.834 -10.788 372 HH11 ARG 51 1HH1 ARG 51 3.801 13.317 -11.471 373 HH12 ARG 51 2HH1 ARG 51 3.936 14.679 -10.403 374 HH21 ARG 51 1HH2 ARG 51 0.582 14.593 -9.410 375 HH22 ARG 51 2HH2 ARG 51 2.107 15.406 -9.234 376 H MET 52 H MET 52 0.758 7.925 -7.553 377 HA MET 52 HA MET 52 -1.911 6.979 -7.206 378 HB2 MET 52 1HB MET 52 0.072 6.042 -6.041 379 HB3 MET 52 2HB MET 52 0.314 7.561 -5.189 380 HG2 MET 52 1HG MET 52 -1.854 7.234 -4.043 381 HG3 MET 52 2HG MET 52 -2.051 5.697 -4.888 382 HE1 MET 52 3HE MET 52 0.967 4.604 -4.893 383 HE2 MET 52 1HE MET 52 -0.433 3.592 -4.532 384 HE3 MET 52 2HE MET 52 0.949 3.613 -3.438 385 H GLU 53 H GLU 53 -2.940 8.986 -7.981 386 HA GLU 53 HA GLU 53 -3.433 10.952 -5.800 387 HB2 GLU 53 1HB GLU 53 -3.597 11.447 -8.803 388 HB3 GLU 53 2HB GLU 53 -3.840 12.643 -7.533 389 HG2 GLU 53 1HG GLU 53 -1.451 12.407 -6.865 390 HG3 GLU 53 2HG GLU 53 -1.221 11.231 -8.160 391 H ASP 54 H ASP 54 -4.655 8.320 -6.728 392 HA ASP 54 HA ASP 54 -7.463 8.980 -6.524 393 HB2 ASP 54 1HB ASP 54 -7.132 9.311 -8.941 394 HB3 ASP 54 2HB ASP 54 -6.318 7.758 -9.091 395 H LEU 55 H LEU 55 -4.967 6.567 -7.167 396 HA LEU 55 HA LEU 55 -6.570 4.264 -6.726 397 HB2 LEU 55 1HB LEU 55 -3.538 4.470 -6.776 398 HB3 LEU 55 2HB LEU 55 -4.468 2.983 -6.853 399 HG LEU 55 HG LEU 55 -5.548 4.141 -9.022 400 HD11 LEU 55 1HD1 LEU 55 -2.847 5.511 -8.924 401 HD12 LEU 55 2HD1 LEU 55 -4.425 6.291 -8.837 402 HD13 LEU 55 3HD1 LEU 55 -3.934 5.475 -10.318 403 HD21 LEU 55 3HD2 LEU 55 -3.935 2.985 -10.450 404 HD22 LEU 55 1HD2 LEU 55 -4.384 2.001 -9.058 405 HD23 LEU 55 2HD2 LEU 55 -2.819 2.823 -9.094 406 H ALA 56 H ALA 56 -4.558 6.177 -4.574 407 HA ALA 56 HA ALA 56 -5.631 4.840 -2.247 408 HB1 ALA 56 3HB ALA 56 -2.628 4.789 -2.705 409 HB2 ALA 56 1HB ALA 56 -3.696 3.388 -2.776 410 HB3 ALA 56 2HB ALA 56 -3.454 4.236 -1.248 411 H PHE 57 H PHE 57 -6.029 7.375 -3.249 412 HA PHE 57 HA PHE 57 -4.439 9.200 -1.538 413 HB2 PHE 57 1HB PHE 57 -4.401 9.620 -4.008 414 HB3 PHE 57 2HB PHE 57 -6.148 9.824 -3.991 415 HD1 PHE 57 HD1 PHE 57 -2.954 11.265 -2.706 416 HD2 PHE 57 HD2 PHE 57 -7.099 11.982 -3.491 417 HE1 PHE 57 HE1 PHE 57 -2.632 13.658 -2.252 418 HE2 PHE 57 HE2 PHE 57 -6.765 14.372 -3.037 419 HZ PHE 57 HZ PHE 57 -4.535 15.213 -2.415 420 H ASP 58 H ASP 58 -7.699 8.127 -2.310 421 HA ASP 58 HA ASP 58 -9.223 9.974 -0.829 422 HB2 ASP 58 1HB ASP 58 -10.266 8.486 -2.442 423 HB3 ASP 58 2HB ASP 58 -9.747 7.060 -1.554 424 H SER 59 H SER 59 -9.950 9.987 1.303 425 HA SER 59 HA SER 59 -8.136 9.373 3.293 426 HB2 SER 59 1HB SER 59 -11.113 9.890 3.575 427 HB3 SER 59 2HB SER 59 -9.920 10.040 4.871 428 HG SER 59 HG SER 59 -10.312 11.637 2.602 429 H LEU 60 H LEU 60 -11.077 7.577 2.416 430 HA LEU 60 HA LEU 60 -10.935 5.662 4.535 431 HB2 LEU 60 1HB LEU 60 -12.937 6.378 2.939 432 HB3 LEU 60 2HB LEU 60 -12.338 5.113 1.887 433 HG LEU 60 HG LEU 60 -13.377 4.732 4.741 434 HD11 LEU 60 1HD1 LEU 60 -15.288 3.595 3.702 435 HD12 LEU 60 2HD1 LEU 60 -14.645 3.953 2.097 436 HD13 LEU 60 3HD1 LEU 60 -15.162 5.267 3.158 437 HD21 LEU 60 3HD2 LEU 60 -13.258 2.306 4.332 438 HD22 LEU 60 1HD2 LEU 60 -11.663 3.050 4.272 439 HD23 LEU 60 2HD2 LEU 60 -12.477 2.600 2.775 440 H VAL 61 H VAL 61 -9.726 5.779 1.191 441 HA VAL 61 HA VAL 61 -8.831 3.068 1.059 442 HB VAL 61 HB VAL 61 -7.835 5.418 -0.643 443 HG11 VAL 61 1HG1 VAL 61 -6.407 3.410 -0.796 444 HG12 VAL 61 2HG1 VAL 61 -7.275 3.667 -2.307 445 HG13 VAL 61 3HG1 VAL 61 -7.812 2.415 -1.185 446 HG21 VAL 61 3HG2 VAL 61 -10.303 5.221 -0.762 447 HG22 VAL 61 1HG2 VAL 61 -10.163 3.511 -1.180 448 HG23 VAL 61 2HG2 VAL 61 -9.562 4.748 -2.291 449 H VAL 62 H VAL 62 -7.305 6.084 2.127 450 HA VAL 62 HA VAL 62 -4.631 5.116 2.423 451 HB VAL 62 HB VAL 62 -6.062 7.412 3.872 452 HG11 VAL 62 1HG1 VAL 62 -3.067 6.824 3.816 453 HG12 VAL 62 2HG1 VAL 62 -4.127 6.707 5.222 454 HG13 VAL 62 3HG1 VAL 62 -3.815 8.278 4.484 455 HG21 VAL 62 3HG2 VAL 62 -5.899 7.747 1.434 456 HG22 VAL 62 1HG2 VAL 62 -4.153 7.490 1.494 457 HG23 VAL 62 2HG2 VAL 62 -4.872 8.892 2.290 458 H SER 63 H SER 63 -7.454 5.235 4.589 459 HA SER 63 HA SER 63 -6.236 4.157 6.914 460 HB2 SER 63 1HB SER 63 -9.155 3.998 6.043 461 HB3 SER 63 2HB SER 63 -8.548 3.741 7.679 462 HG SER 63 HG SER 63 -7.949 6.158 6.378 463 H GLU 64 H GLU 64 -8.064 2.668 4.247 464 HA GLU 64 HA GLU 64 -8.092 -0.019 5.037 465 HB2 GLU 64 1HB GLU 64 -9.517 0.851 3.215 466 HB3 GLU 64 2HB GLU 64 -8.103 1.231 2.248 467 HG2 GLU 64 1HG GLU 64 -9.033 -0.734 1.299 468 HG3 GLU 64 2HG GLU 64 -7.602 -1.264 2.176 469 H LEU 65 H LEU 65 -5.754 1.862 3.187 470 HA LEU 65 HA LEU 65 -4.015 -0.212 2.389 471 HB2 LEU 65 1HB LEU 65 -4.111 2.019 1.309 472 HB3 LEU 65 2HB LEU 65 -3.458 2.758 2.761 473 HG LEU 65 HG LEU 65 -1.297 1.592 2.402 474 HD11 LEU 65 1HD1 LEU 65 -0.842 0.347 0.314 475 HD12 LEU 65 2HD1 LEU 65 -2.550 0.450 -0.121 476 HD13 LEU 65 3HD1 LEU 65 -2.054 -0.458 1.308 477 HD21 LEU 65 3HD2 LEU 65 -0.560 2.841 0.406 478 HD22 LEU 65 1HD2 LEU 65 -1.619 3.826 1.413 479 HD23 LEU 65 2HD2 LEU 65 -2.240 3.098 -0.071 480 H SER 66 H SER 66 -3.793 2.136 5.097 481 HA SER 66 HA SER 66 -1.436 1.289 6.312 482 HB2 SER 66 1HB SER 66 -3.928 2.419 7.662 483 HB3 SER 66 2HB SER 66 -2.317 2.362 8.383 484 HG SER 66 HG SER 66 -3.285 4.285 6.966 485 H LEU 67 H LEU 67 -4.773 0.180 6.931 486 HA LEU 67 HA LEU 67 -4.187 -1.609 9.065 487 HB2 LEU 67 1HB LEU 67 -6.547 -1.597 7.143 488 HB3 LEU 67 2HB LEU 67 -6.478 -2.493 8.652 489 HG LEU 67 HG LEU 67 -6.467 0.535 8.398 490 HD11 LEU 67 1HD1 LEU 67 -8.730 0.461 9.344 491 HD12 LEU 67 2HD1 LEU 67 -8.685 -1.302 9.348 492 HD13 LEU 67 3HD1 LEU 67 -8.648 -0.421 7.820 493 HD21 LEU 67 3HD2 LEU 67 -5.176 -0.170 10.366 494 HD22 LEU 67 1HD2 LEU 67 -6.534 -1.155 10.922 495 HD23 LEU 67 2HD2 LEU 67 -6.685 0.602 10.844 496 H LYS 68 H LYS 68 -4.327 -1.983 5.556 497 HA LYS 68 HA LYS 68 -4.277 -4.852 5.527 498 HB2 LYS 68 1HB LYS 68 -5.038 -3.119 3.646 499 HB3 LYS 68 2HB LYS 68 -3.351 -3.196 3.157 500 HG2 LYS 68 1HG LYS 68 -4.479 -4.789 1.797 501 HG3 LYS 68 2HG LYS 68 -3.643 -5.745 3.021 502 HD2 LYS 68 1HD LYS 68 -5.898 -6.629 2.722 503 HD3 LYS 68 2HD LYS 68 -5.777 -5.892 4.321 504 HE2 LYS 68 1HE LYS 68 -6.840 -3.806 3.357 505 HE3 LYS 68 2HE LYS 68 -7.103 -4.700 1.858 506 HZ1 LYS 68 3HZ LYS 68 -8.475 -6.271 3.097 507 HZ2 LYS 68 1HZ LYS 68 -9.070 -4.696 3.262 508 HZ3 LYS 68 2HZ LYS 68 -8.202 -5.410 4.523 509 H LEU 69 H LEU 69 -1.832 -2.303 5.154 510 HA LEU 69 HA LEU 69 0.429 -3.950 4.653 511 HB2 LEU 69 1HB LEU 69 0.343 -1.179 5.929 512 HB3 LEU 69 2HB LEU 69 1.782 -1.966 5.301 513 HG LEU 69 HG LEU 69 -0.599 -1.092 3.626 514 HD11 LEU 69 1HD1 LEU 69 0.637 0.840 4.461 515 HD12 LEU 69 2HD1 LEU 69 0.852 0.659 2.722 516 HD13 LEU 69 3HD1 LEU 69 2.144 0.173 3.822 517 HD21 LEU 69 3HD2 LEU 69 0.772 -1.621 1.654 518 HD22 LEU 69 1HD2 LEU 69 0.468 -3.059 2.629 519 HD23 LEU 69 2HD2 LEU 69 2.042 -2.264 2.698 520 H ARG 70 H ARG 70 -1.100 -2.743 7.548 521 HA ARG 70 HA ARG 70 0.729 -3.498 9.532 522 HB2 ARG 70 1HB ARG 70 -1.213 -1.944 9.813 523 HB3 ARG 70 2HB ARG 70 -2.311 -3.310 9.679 524 HG2 ARG 70 1HG ARG 70 -1.056 -4.254 11.746 525 HG3 ARG 70 2HG ARG 70 -0.431 -2.614 11.940 526 HD2 ARG 70 1HD ARG 70 -2.405 -2.872 13.329 527 HD3 ARG 70 2HD ARG 70 -2.802 -1.784 11.994 528 HE ARG 70 HE ARG 70 -3.923 -3.671 10.897 529 HH11 ARG 70 1HH1 ARG 70 -3.371 -3.952 14.339 530 HH12 ARG 70 2HH1 ARG 70 -4.581 -5.167 14.560 531 HH21 ARG 70 1HH2 ARG 70 -5.501 -5.285 11.196 532 HH22 ARG 70 2HH2 ARG 70 -5.785 -5.929 12.781 533 H LYS 71 H LYS 71 -2.109 -5.165 8.235 534 HA LYS 71 HA LYS 71 -1.990 -7.459 9.928 535 HB2 LYS 71 1HB LYS 71 -4.065 -6.497 8.857 536 HB3 LYS 71 2HB LYS 71 -3.495 -7.041 7.293 537 HG2 LYS 71 1HG LYS 71 -4.014 -8.992 9.556 538 HG3 LYS 71 2HG LYS 71 -5.312 -8.434 8.511 539 HD2 LYS 71 1HD LYS 71 -2.835 -9.956 7.614 540 HD3 LYS 71 2HD LYS 71 -4.453 -10.627 7.800 541 HE2 LYS 71 1HE LYS 71 -5.272 -9.122 6.002 542 HE3 LYS 71 2HE LYS 71 -3.636 -8.485 5.803 543 HZ1 LYS 71 3HZ LYS 71 -4.111 -10.194 4.169 544 HZ2 LYS 71 1HZ LYS 71 -4.457 -11.311 5.390 545 HZ3 LYS 71 2HZ LYS 71 -2.888 -10.713 5.211 546 H GLU 72 H GLU 72 -1.048 -6.827 6.552 547 HA GLU 72 HA GLU 72 -0.405 -9.630 6.056 548 HB2 GLU 72 1HB GLU 72 -1.737 -8.312 4.414 549 HB3 GLU 72 2HB GLU 72 -0.390 -7.201 4.207 550 HG2 GLU 72 1HG GLU 72 -0.555 -8.747 2.321 551 HG3 GLU 72 2HG GLU 72 0.953 -8.992 3.199 552 H PHE 73 H PHE 73 1.280 -6.478 5.845 553 HA PHE 73 HA PHE 73 3.837 -7.814 5.265 554 HB2 PHE 73 1HB PHE 73 3.052 -4.872 5.120 555 HB3 PHE 73 2HB PHE 73 4.625 -5.524 4.651 556 HD1 PHE 73 HD1 PHE 73 4.842 -6.913 2.599 557 HD2 PHE 73 HD2 PHE 73 1.074 -5.211 3.689 558 HE1 PHE 73 HE1 PHE 73 3.965 -7.378 0.354 559 HE2 PHE 73 HE2 PHE 73 0.214 -5.674 1.436 560 HZ PHE 73 HZ PHE 73 1.660 -6.762 -0.232 561 H GLY 74 H GLY 74 2.227 -6.450 7.946 562 HA2 GLY 74 1HA GLY 74 2.913 -6.373 10.156 563 HA3 GLY 74 2HA GLY 74 4.560 -6.743 9.663 564 H VAL 75 H VAL 75 3.364 -4.241 7.808 565 HA VAL 75 HA VAL 75 5.053 -2.263 9.086 566 HB VAL 75 HB VAL 75 3.347 -2.173 6.541 567 HG11 VAL 75 1HG1 VAL 75 5.316 -0.080 7.553 568 HG12 VAL 75 2HG1 VAL 75 3.569 0.110 7.401 569 HG13 VAL 75 3HG1 VAL 75 4.559 -0.085 5.956 570 HG21 VAL 75 3HG2 VAL 75 6.364 -2.454 6.917 571 HG22 VAL 75 1HG2 VAL 75 5.529 -2.330 5.365 572 HG23 VAL 75 2HG2 VAL 75 5.251 -3.726 6.403 573 H THR 76 H THR 76 4.289 -1.141 10.748 574 HA THR 76 HA THR 76 1.611 -1.048 11.613 575 HB THR 76 HB THR 76 2.504 0.698 13.265 576 HG1 THR 76 HG1 THR 76 4.290 1.666 12.655 577 HG21 THR 76 3HG2 THR 76 4.109 -1.873 13.011 578 HG22 THR 76 1HG2 THR 76 2.556 -1.704 13.835 579 HG23 THR 76 2HG2 THR 76 3.985 -0.883 14.465 580 H GLY 77 H GLY 77 0.558 1.130 12.253 581 HA2 GLY 77 1HA GLY 77 -0.592 2.338 10.064 582 HA3 GLY 77 2HA GLY 77 -0.583 3.027 11.679 583 H VAL 78 H VAL 78 0.873 3.055 8.545 584 HA VAL 78 HA VAL 78 2.664 5.324 9.178 585 HB VAL 78 HB VAL 78 3.724 4.779 6.910 586 HG11 VAL 78 1HG1 VAL 78 3.862 2.612 9.032 587 HG12 VAL 78 2HG1 VAL 78 4.813 4.096 8.990 588 HG13 VAL 78 3HG1 VAL 78 5.050 2.865 7.748 589 HG21 VAL 78 3HG2 VAL 78 1.861 3.520 5.903 590 HG22 VAL 78 1HG2 VAL 78 2.041 2.248 7.112 591 HG23 VAL 78 2HG2 VAL 78 3.321 2.531 5.930 592 H ASP 79 H ASP 79 -0.094 5.801 9.016 593 HA ASP 79 HA ASP 79 -1.218 6.528 6.590 594 HB2 ASP 79 1HB ASP 79 -1.646 7.872 9.290 595 HB3 ASP 79 2HB ASP 79 -2.720 8.030 7.901 596 H ASP 80 H ASP 80 0.822 8.487 8.735 597 HA ASP 80 HA ASP 80 0.753 10.949 7.324 598 HB2 ASP 80 1HB ASP 80 1.566 10.786 9.653 599 HB3 ASP 80 2HB ASP 80 2.922 9.791 9.148 600 H GLU 81 H GLU 81 2.968 8.186 7.162 601 HA GLU 81 HA GLU 81 4.749 9.172 5.191 602 HB2 GLU 81 1HB GLU 81 4.033 6.297 5.909 603 HB3 GLU 81 2HB GLU 81 5.419 6.772 4.940 604 HG2 GLU 81 1HG GLU 81 4.996 7.591 7.829 605 HG3 GLU 81 2HG GLU 81 5.964 6.208 7.312 606 H LEU 82 H LEU 82 1.603 7.603 5.002 607 HA LEU 82 HA LEU 82 1.775 6.760 2.273 608 HB2 LEU 82 1HB LEU 82 -0.662 7.115 4.049 609 HB3 LEU 82 2HB LEU 82 -0.694 6.382 2.452 610 HG LEU 82 HG LEU 82 0.681 5.285 4.928 611 HD11 LEU 82 1HD1 LEU 82 -1.729 4.943 4.919 612 HD12 LEU 82 2HD1 LEU 82 -0.882 3.414 4.710 613 HD13 LEU 82 3HD1 LEU 82 -1.641 4.197 3.321 614 HD21 LEU 82 3HD2 LEU 82 2.120 4.810 3.008 615 HD22 LEU 82 1HD2 LEU 82 0.750 4.133 2.120 616 HD23 LEU 82 2HD2 LEU 82 1.346 3.334 3.576 617 H ASP 83 H ASP 83 0.448 9.667 3.887 618 HA ASP 83 HA ASP 83 -0.544 10.774 1.398 619 HB2 ASP 83 1HB ASP 83 -1.175 12.751 2.568 620 HB3 ASP 83 2HB ASP 83 -1.541 11.401 3.626 621 H LEU 84 H LEU 84 2.505 10.789 3.076 622 HA LEU 84 HA LEU 84 3.804 12.836 1.581 623 HB2 LEU 84 1HB LEU 84 4.881 10.410 3.043 624 HB3 LEU 84 2HB LEU 84 5.931 11.579 2.264 625 HG LEU 84 HG LEU 84 4.004 12.246 4.522 626 HD11 LEU 84 1HD1 LEU 84 5.769 10.786 5.356 627 HD12 LEU 84 2HD1 LEU 84 5.991 12.424 5.963 628 HD13 LEU 84 3HD1 LEU 84 7.005 11.828 4.647 629 HD21 LEU 84 3HD2 LEU 84 4.434 14.175 3.065 630 HD22 LEU 84 1HD2 LEU 84 6.177 13.940 3.233 631 HD23 LEU 84 2HD2 LEU 84 5.204 14.396 4.633 632 H LEU 85 H LEU 85 2.827 9.639 0.708 633 HA LEU 85 HA LEU 85 4.672 9.334 -1.524 634 HB2 LEU 85 1HB LEU 85 2.119 7.761 -1.013 635 HB3 LEU 85 2HB LEU 85 3.486 7.280 -2.011 636 HG LEU 85 HG LEU 85 3.515 7.544 1.012 637 HD11 LEU 85 1HD1 LEU 85 3.642 5.101 1.066 638 HD12 LEU 85 2HD1 LEU 85 3.433 5.056 -0.684 639 HD13 LEU 85 3HD1 LEU 85 2.141 5.674 0.343 640 HD21 LEU 85 3HD2 LEU 85 5.714 6.473 0.971 641 HD22 LEU 85 1HD2 LEU 85 5.746 7.994 0.079 642 HD23 LEU 85 2HD2 LEU 85 5.694 6.461 -0.793 643 H GLU 86 H GLU 86 4.093 9.451 -3.714 644 HA GLU 86 HA GLU 86 1.444 10.521 -4.481 645 HB2 GLU 86 1HB GLU 86 3.130 12.400 -4.353 646 HB3 GLU 86 2HB GLU 86 4.125 11.545 -5.523 647 HG2 GLU 86 1HG GLU 86 2.188 11.721 -7.155 648 HG3 GLU 86 2HG GLU 86 1.388 12.777 -5.991 649 H THR 87 H THR 87 3.767 8.122 -4.799 650 HA THR 87 HA THR 87 2.789 7.260 -7.434 651 HB THR 87 HB THR 87 5.789 7.198 -6.819 652 HG1 THR 87 HG1 THR 87 5.127 9.381 -6.826 653 HG21 THR 87 3HG2 THR 87 4.254 7.121 -9.451 654 HG22 THR 87 1HG2 THR 87 4.982 5.727 -8.651 655 HG23 THR 87 2HG2 THR 87 6.006 7.024 -9.269 656 H VAL 88 H VAL 88 3.127 5.017 -7.839 657 HA VAL 88 HA VAL 88 2.694 3.349 -5.567 658 HB VAL 88 HB VAL 88 3.082 2.669 -8.518 659 HG11 VAL 88 1HG1 VAL 88 2.099 0.833 -6.300 660 HG12 VAL 88 2HG1 VAL 88 3.602 0.668 -7.206 661 HG13 VAL 88 3HG1 VAL 88 2.056 0.463 -8.030 662 HG21 VAL 88 3HG2 VAL 88 0.610 2.434 -8.553 663 HG22 VAL 88 1HG2 VAL 88 1.096 4.062 -8.074 664 HG23 VAL 88 2HG2 VAL 88 0.535 2.915 -6.855 665 H ASP 89 H ASP 89 5.533 3.930 -7.653 666 HA ASP 89 HA ASP 89 7.348 2.044 -6.702 667 HB2 ASP 89 1HB ASP 89 7.846 4.986 -7.351 668 HB3 ASP 89 2HB ASP 89 9.144 3.823 -7.066 669 H GLU 90 H GLU 90 6.526 5.205 -5.340 670 HA GLU 90 HA GLU 90 8.340 5.231 -3.201 671 HB2 GLU 90 1HB GLU 90 5.650 6.637 -3.461 672 HB3 GLU 90 2HB GLU 90 6.897 7.048 -2.284 673 HG2 GLU 90 1HG GLU 90 8.439 7.591 -4.197 674 HG3 GLU 90 2HG GLU 90 7.094 7.301 -5.297 675 H LEU 91 H LEU 91 4.987 4.028 -3.421 676 HA LEU 91 HA LEU 91 4.697 3.354 -0.674 677 HB2 LEU 91 1HB LEU 91 2.767 3.586 -2.154 678 HB3 LEU 91 2HB LEU 91 3.292 2.206 -3.107 679 HG LEU 91 HG LEU 91 2.866 0.684 -1.213 680 HD11 LEU 91 1HD1 LEU 91 1.776 1.421 0.869 681 HD12 LEU 91 2HD1 LEU 91 1.941 3.106 0.369 682 HD13 LEU 91 3HD1 LEU 91 3.377 2.135 0.690 683 HD21 LEU 91 3HD2 LEU 91 0.487 2.479 -1.758 684 HD22 LEU 91 1HD2 LEU 91 0.423 0.828 -1.134 685 HD23 LEU 91 2HD2 LEU 91 1.028 1.131 -2.759 686 H PHE 92 H PHE 92 5.727 1.402 -3.473 687 HA PHE 92 HA PHE 92 5.867 -1.092 -2.200 688 HB2 PHE 92 1HB PHE 92 7.090 0.012 -4.734 689 HB3 PHE 92 2HB PHE 92 7.597 -1.573 -4.158 690 HD1 PHE 92 HD2 PHE 92 4.077 -0.351 -3.779 691 HD2 PHE 92 HD1 PHE 92 6.751 -2.782 -6.081 692 HE1 PHE 92 HE2 PHE 92 2.168 -1.425 -4.883 693 HE2 PHE 92 HE1 PHE 92 4.824 -3.843 -7.179 694 HZ PHE 92 HZ PHE 92 2.531 -3.164 -6.585 695 H GLN 93 H GLN 93 8.399 1.396 -2.630 696 HA GLN 93 HA GLN 93 10.414 -0.193 -1.307 697 HB2 GLN 93 1HB GLN 93 11.886 1.779 -1.545 698 HB3 GLN 93 2HB GLN 93 11.132 1.305 -3.050 699 HG2 GLN 93 1HG GLN 93 11.010 3.601 -3.195 700 HG3 GLN 93 2HG GLN 93 9.428 3.227 -2.531 701 HE21 GLN 93 2HE2 GLN 93 12.599 4.520 -1.804 702 HE22 GLN 93 1HE2 GLN 93 12.153 5.340 -0.349 703 H LEU 94 H LEU 94 8.120 2.289 -0.284 704 HA LEU 94 HA LEU 94 9.207 2.942 2.232 705 HB2 LEU 94 1HB LEU 94 7.351 4.212 1.187 706 HB3 LEU 94 2HB LEU 94 6.285 2.836 1.394 707 HG LEU 94 HG LEU 94 6.680 3.093 3.931 708 HD11 LEU 94 1HD1 LEU 94 8.664 4.513 3.880 709 HD12 LEU 94 2HD1 LEU 94 7.360 5.306 4.760 710 HD13 LEU 94 3HD1 LEU 94 7.746 5.812 3.113 711 HD21 LEU 94 3HD2 LEU 94 5.188 5.310 2.493 712 HD22 LEU 94 1HD2 LEU 94 4.955 4.821 4.173 713 HD23 LEU 94 2HD2 LEU 94 4.559 3.705 2.871 714 H VAL 95 H VAL 95 6.796 0.547 1.306 715 HA VAL 95 HA VAL 95 6.302 -0.548 3.860 716 HB VAL 95 HB VAL 95 5.802 -1.693 1.071 717 HG11 VAL 95 1HG1 VAL 95 4.183 -3.258 2.116 718 HG12 VAL 95 2HG1 VAL 95 4.673 -2.700 3.719 719 HG13 VAL 95 3HG1 VAL 95 5.824 -3.550 2.692 720 HG21 VAL 95 3HG2 VAL 95 3.927 -0.277 3.011 721 HG22 VAL 95 1HG2 VAL 95 3.477 -0.936 1.435 722 HG23 VAL 95 2HG2 VAL 95 4.609 0.410 1.534 723 H GLU 96 H GLU 96 8.489 -1.504 1.204 724 HA GLU 96 HA GLU 96 9.330 -3.985 2.273 725 HB2 GLU 96 1HB GLU 96 9.638 -3.301 -0.095 726 HB3 GLU 96 2HB GLU 96 10.848 -2.122 0.399 727 HG2 GLU 96 1HG GLU 96 12.328 -3.899 1.175 728 HG3 GLU 96 2HG GLU 96 11.097 -5.118 0.846 729 H LYS 97 H LYS 97 10.734 -0.725 2.517 730 HA LYS 97 HA LYS 97 13.000 -1.527 4.089 731 HB2 LYS 97 1HB LYS 97 11.838 1.228 3.518 732 HB3 LYS 97 2HB LYS 97 13.368 0.948 4.347 733 HG2 LYS 97 1HG LYS 97 14.289 -0.140 2.328 734 HG3 LYS 97 2HG LYS 97 12.745 0.073 1.500 735 HD2 LYS 97 1HD LYS 97 14.284 1.798 0.741 736 HD3 LYS 97 2HD LYS 97 13.012 2.555 1.699 737 HE2 LYS 97 1HE LYS 97 14.535 2.686 3.632 738 HE3 LYS 97 2HE LYS 97 15.798 1.879 2.700 739 HZ1 LYS 97 3HZ LYS 97 14.589 4.505 2.034 740 HZ2 LYS 97 1HZ LYS 97 15.822 3.736 1.175 741 HZ3 LYS 97 2HZ LYS 97 16.099 4.278 2.750 742 H HIS 98 H HIS 98 9.739 -0.405 4.854 743 HA HIS 98 HA HIS 98 10.264 -0.104 7.691 744 HB2 HIS 98 1HB HIS 98 8.430 1.130 6.341 745 HB3 HIS 98 2HB HIS 98 7.509 -0.368 6.425 746 HD1 HIS 98 HD1 HIS 98 7.147 -1.228 9.080 747 HD2 HIS 98 HD2 HIS 98 7.985 2.783 8.443 748 HE1 HIS 98 HE1 HIS 98 6.393 -0.047 11.158 749 HE2 HIS 98 HE2 HIS 98 6.871 2.386 10.741 750 H ARG 99 H ARG 99 9.456 -2.692 5.561 751 HA ARG 99 HA ARG 99 8.518 -4.546 7.600 752 HB2 ARG 99 1HB ARG 99 7.829 -4.644 5.151 753 HB3 ARG 99 2HB ARG 99 9.474 -5.123 4.758 754 HG2 ARG 99 1HG ARG 99 8.868 -7.031 6.624 755 HG3 ARG 99 2HG ARG 99 7.258 -6.729 5.971 756 HD2 ARG 99 1HD ARG 99 8.374 -8.592 4.790 757 HD3 ARG 99 2HD ARG 99 8.093 -7.235 3.694 758 HE ARG 99 HE ARG 99 10.343 -7.080 3.391 759 HH11 ARG 99 1HH1 ARG 99 9.894 -8.793 6.440 760 HH12 ARG 99 2HH1 ARG 99 11.593 -9.038 6.683 761 HH21 ARG 99 1HH2 ARG 99 12.557 -7.418 3.751 762 HH22 ARG 99 2HH2 ARG 99 13.090 -8.269 5.165 763 H ALA 100 H ALA 100 11.504 -3.659 5.998 764 HA ALA 100 HA ALA 100 13.135 -5.755 7.155 765 HB1 ALA 100 3HB ALA 100 13.919 -3.245 5.638 766 HB2 ALA 100 1HB ALA 100 13.661 -4.846 4.939 767 HB3 ALA 100 2HB ALA 100 15.000 -4.577 6.056 768 H ALA 101 H ALA 101 12.271 -2.429 7.865 769 HA ALA 101 HA ALA 101 13.623 -2.572 10.485 770 HB1 ALA 101 3HB ALA 101 13.699 -0.153 8.632 771 HB2 ALA 101 1HB ALA 101 15.070 -1.199 9.012 772 HB3 ALA 101 2HB ALA 101 14.335 -0.213 10.278 773 H GLY 102 H GLY 102 11.622 -3.051 11.409 774 HA2 GLY 102 1HA GLY 102 9.224 -1.496 10.997 775 HA3 GLY 102 2HA GLY 102 9.480 -2.748 12.200 776 H SER 103 H SER 103 10.186 0.623 11.430 777 HA SER 103 HA SER 103 10.512 2.508 12.579 778 HB2 SER 103 1HB SER 103 9.032 1.068 14.819 779 HB3 SER 103 2HB SER 103 9.303 2.810 14.734 780 HG SER 103 HG SER 103 7.380 1.340 13.571
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