NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
591736 | 2mxe | 25405 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 79 H1 ALA 79 2.807 0.945 -1.704 2 HA ALA 79 HA ALA 79 5.102 0.522 -2.328 3 HB1 ALA 79 HB1 ALA 79 4.169 1.152 -5.167 4 HB2 ALA 79 HB2 ALA 79 5.842 0.845 -4.649 5 HB3 ALA 79 HB3 ALA 79 4.638 -0.447 -4.550 6 H ARG 80 H ARG 80 6.419 2.099 -1.782 7 HA ARG 80 HA ARG 80 7.308 4.123 -1.280 8 HB2 ARG 80 HB2 ARG 80 6.492 4.740 -4.110 9 HB3 ARG 80 HB3 ARG 80 7.763 5.523 -3.145 10 HG2 ARG 80 HG2 ARG 80 8.871 3.323 -2.838 11 HG3 ARG 80 HG3 ARG 80 7.734 2.591 -3.975 12 HD2 ARG 80 HD2 ARG 80 9.622 4.901 -4.616 13 HD3 ARG 80 HD3 ARG 80 9.913 3.196 -5.017 14 HE ARG 80 HE ARG 80 7.408 3.824 -6.125 15 HH11 ARG 80 HH11 ARG 80 10.712 4.840 -6.666 16 HH12 ARG 80 HH12 ARG 80 10.424 5.225 -8.344 17 HH21 ARG 80 HH21 ARG 80 7.095 4.353 -8.272 18 HH22 ARG 80 HH22 ARG 80 8.432 4.933 -9.223 19 H LYS 81 H LYS 81 4.503 4.071 -0.389 20 HA LYS 81 HA LYS 81 3.572 6.878 -0.490 21 HB2 LYS 81 HB2 LYS 81 2.756 4.382 1.027 22 HB3 LYS 81 HB3 LYS 81 2.379 5.951 1.733 23 HG2 LYS 81 HG2 LYS 81 0.493 5.158 0.460 24 HG3 LYS 81 HG3 LYS 81 1.140 6.654 -0.220 25 HD2 LYS 81 HD2 LYS 81 2.221 5.385 -2.054 26 HD3 LYS 81 HD3 LYS 81 1.711 3.866 -1.303 27 HE2 LYS 81 HE2 LYS 81 0.222 4.284 -3.113 28 HE3 LYS 81 HE3 LYS 81 -0.680 4.522 -1.617 29 HZ1 LYS 81 HZ1 LYS 81 0.453 6.717 -3.299 30 HZ2 LYS 81 HZ2 LYS 81 -1.120 6.288 -3.251 31 HZ3 LYS 81 HZ3 LYS 81 -0.427 6.950 -1.935 32 H VAL 82 H VAL 82 3.557 8.293 1.235 33 HA VAL 82 HA VAL 82 6.198 8.634 2.424 34 HB VAL 82 HB VAL 82 3.633 10.235 2.751 35 HG11 VAL 82 HG11 VAL 82 4.988 10.708 4.720 36 HG12 VAL 82 HG12 VAL 82 6.461 10.871 3.727 37 HG13 VAL 82 HG13 VAL 82 5.150 12.058 3.604 38 HG21 VAL 82 HG21 VAL 82 6.186 10.790 1.163 39 HG22 VAL 82 HG22 VAL 82 4.631 10.280 0.462 40 HG23 VAL 82 HG23 VAL 82 4.763 11.850 1.264 41 H LYS 83 H LYS 83 6.901 8.140 4.379 42 HA LYS 83 HA LYS 83 5.007 7.319 6.558 43 HB2 LYS 83 HB2 LYS 83 7.932 6.659 6.029 44 HB3 LYS 83 HB3 LYS 83 7.215 6.561 7.650 45 HG2 LYS 83 HG2 LYS 83 5.512 4.986 6.846 46 HG3 LYS 83 HG3 LYS 83 6.254 4.995 5.229 47 HD2 LYS 83 HD2 LYS 83 8.315 4.053 6.092 48 HD3 LYS 83 HD3 LYS 83 7.781 4.261 7.771 49 HE2 LYS 83 HE2 LYS 83 5.986 2.635 7.477 50 HE3 LYS 83 HE3 LYS 83 6.389 2.440 5.764 51 HZ1 LYS 83 HZ1 LYS 83 8.266 1.785 8.007 52 HZ2 LYS 83 HZ2 LYS 83 7.377 0.674 7.190 53 HZ3 LYS 83 HZ3 LYS 83 8.542 1.523 6.417 54 H GLN 84 H GLN 84 4.598 8.840 7.908 55 HA GLN 84 HA GLN 84 6.418 11.129 8.457 56 HB2 GLN 84 HB2 GLN 84 4.068 11.660 8.200 57 HB3 GLN 84 HB3 GLN 84 3.590 10.333 9.245 58 HG2 GLN 84 HG2 GLN 84 4.650 11.522 11.192 59 HG3 GLN 84 HG3 GLN 84 5.031 12.873 10.112 60 HE21 GLN 84 HE22 GLN 84 2.193 10.789 11.065 61 HE22 GLN 84 HE21 GLN 84 1.070 12.148 11.126 62 H TYR 85 H TYR 85 7.500 11.271 10.418 63 HA TYR 85 HA TYR 85 7.115 9.118 12.463 64 HB2 TYR 85 HB2 TYR 85 9.803 10.154 11.484 65 HB3 TYR 85 HB3 TYR 85 9.561 9.085 12.840 66 HD1 TYR 85 HD1 TYR 85 9.276 9.307 9.109 67 HD2 TYR 85 HD2 TYR 85 9.543 6.743 12.562 68 HE1 TYR 85 HE1 TYR 85 9.801 7.371 7.636 69 HE2 TYR 85 HE2 TYR 85 10.086 4.809 11.093 70 HH TYR 85 HH TYR 85 10.619 4.135 8.950 71 H LYS 86 H LYS 86 7.583 9.813 14.593 72 HA LYS 86 HA LYS 86 8.192 12.698 15.059 73 HB2 LYS 86 HB2 LYS 86 5.749 12.383 15.180 74 HB3 LYS 86 HB3 LYS 86 5.958 11.058 16.340 75 HG2 LYS 86 HG2 LYS 86 6.829 12.579 18.032 76 HG3 LYS 86 HG3 LYS 86 6.858 13.917 16.874 77 HD2 LYS 86 HD2 LYS 86 4.383 13.794 16.670 78 HD3 LYS 86 HD3 LYS 86 4.358 12.454 17.832 79 HE2 LYS 86 HE2 LYS 86 5.402 13.946 19.549 80 HE3 LYS 86 HE3 LYS 86 5.406 15.276 18.386 81 HZ1 LYS 86 HZ1 LYS 86 2.960 15.146 18.327 82 HZ2 LYS 86 HZ2 LYS 86 2.955 13.916 19.405 83 HZ3 LYS 86 HZ3 LYS 86 3.470 15.399 19.852 84 H ASN 87 H ASN 87 9.472 13.072 16.841 85 HA ASN 87 HA ASN 87 10.431 10.643 18.348 86 HB2 ASN 87 HB2 ASN 87 12.051 11.577 16.767 87 HB3 ASN 87 HB3 ASN 87 12.046 13.104 17.646 88 HD21 ASN 87 HD22 ASN 87 14.425 11.781 17.338 89 HD22 ASN 87 HD21 ASN 87 14.895 11.032 18.859 90 HA PRO 88 HA PRO 88 8.273 12.972 21.693 91 HB2 PRO 88 HB2 PRO 88 9.115 10.352 22.957 92 HB3 PRO 88 HB3 PRO 88 7.615 11.297 23.224 93 HG2 PRO 88 HG2 PRO 88 7.586 9.155 21.574 94 HG3 PRO 88 HG3 PRO 88 6.746 10.672 21.095 95 HD2 PRO 88 HD2 PRO 88 9.417 9.625 20.173 96 HD3 PRO 88 HD3 PRO 88 8.124 10.455 19.247 97 H HIS 89 H HIS 89 11.538 11.597 21.640 98 HA HIS 89 HA HIS 89 12.416 12.685 24.182 99 HB2 HIS 89 HB2 HIS 89 14.121 11.845 21.796 100 HB3 HIS 89 HB3 HIS 89 14.637 11.989 23.471 101 HD1 HIS 89 HD1 HIS 89 12.958 9.579 21.116 102 HD2 HIS 89 HD2 HIS 89 13.550 10.142 25.261 103 HE1 HIS 89 HE1 HIS 89 12.311 7.336 22.274 104 HE2 HIS 89 HE2 HIS 89 12.694 7.696 24.792 105 H THR 90 H THR 90 12.178 14.084 20.984 106 HA THR 90 HA THR 90 13.603 16.566 21.897 107 HB THR 90 HB THR 90 14.355 16.839 19.609 108 HG1 THR 90 HG1 THR 90 13.867 15.248 18.082 109 HG21 THR 90 HG21 THR 90 15.878 14.966 19.368 110 HG22 THR 90 HG22 THR 90 15.720 15.322 21.101 111 HG23 THR 90 HG23 THR 90 14.856 13.935 20.388 112 H GLY 91 H GLY 91 10.695 15.297 20.426 113 HA2 GLY 91 HA2 GLY 91 8.641 16.430 20.250 114 HA3 GLY 91 HA3 GLY 91 9.466 17.993 20.298 115 H GLU 92 H GLU 92 11.313 16.309 18.140 116 HA GLU 92 HA GLU 92 10.311 17.712 15.869 117 HB2 GLU 92 HB2 GLU 92 12.495 15.737 16.430 118 HB3 GLU 92 HB3 GLU 92 11.934 15.833 14.759 119 HG2 GLU 92 HG2 GLU 92 12.273 18.072 14.549 120 HG3 GLU 92 HG3 GLU 92 12.636 18.303 16.288 121 H VAL 93 H VAL 93 9.431 17.103 13.976 122 HA VAL 93 HA VAL 93 8.406 14.352 13.551 123 HB VAL 93 HB VAL 93 7.096 16.971 12.782 124 HG11 VAL 93 HG11 VAL 93 6.529 15.153 11.196 125 HG12 VAL 93 HG12 VAL 93 6.064 14.104 12.555 126 HG13 VAL 93 HG13 VAL 93 5.128 15.566 12.181 127 HG21 VAL 93 HG21 VAL 93 6.916 16.716 15.159 128 HG22 VAL 93 HG22 VAL 93 5.332 16.448 14.414 129 HG23 VAL 93 HG23 VAL 93 6.294 15.054 14.975 130 H ILE 94 H ILE 94 8.668 13.608 11.477 131 HA ILE 94 HA ILE 94 9.767 15.319 9.334 132 HB ILE 94 HB ILE 94 11.510 13.640 8.803 133 HG12 ILE 94 HG12 ILE 94 10.841 12.411 11.506 134 HG13 ILE 94 HG13 ILE 94 10.532 11.689 9.924 135 HG21 ILE 94 HG21 ILE 94 12.004 15.725 10.051 136 HG22 ILE 94 HG22 ILE 94 11.908 14.814 11.575 137 HG23 ILE 94 HG23 ILE 94 13.149 14.426 10.376 138 HD11 ILE 94 HD11 ILE 94 12.481 10.661 10.892 139 HD12 ILE 94 HD12 ILE 94 12.968 11.617 9.480 140 HD13 ILE 94 HD13 ILE 94 13.271 12.224 11.132 141 H GLU 95 H GLU 95 9.772 14.243 7.301 142 HA GLU 95 HA GLU 95 7.958 11.912 6.903 143 HB2 GLU 95 HB2 GLU 95 7.737 14.676 5.636 144 HB3 GLU 95 HB3 GLU 95 7.028 13.239 4.897 145 HG2 GLU 95 HG2 GLU 95 5.531 12.893 6.735 146 HG3 GLU 95 HG3 GLU 95 6.331 14.123 7.719 147 H THR 96 H THR 96 8.615 10.534 5.394 148 HA THR 96 HA THR 96 10.343 11.318 3.128 149 HB THR 96 HB THR 96 12.067 10.876 4.688 150 HG1 THR 96 HG1 THR 96 13.042 9.139 3.706 151 HG21 THR 96 HG21 THR 96 12.287 8.775 5.964 152 HG22 THR 96 HG22 THR 96 10.866 9.692 6.489 153 HG23 THR 96 HG23 THR 96 10.665 8.270 5.433 154 H LYS 97 H LYS 97 10.455 9.612 1.480 155 HA LYS 97 HA LYS 97 8.098 7.773 1.459 156 HB2 LYS 97 HB2 LYS 97 10.196 8.436 -0.653 157 HB3 LYS 97 HB3 LYS 97 8.871 7.283 -0.869 158 HG2 LYS 97 HG2 LYS 97 7.220 9.085 -0.395 159 HG3 LYS 97 HG3 LYS 97 8.550 10.257 -0.308 160 HD2 LYS 97 HD2 LYS 97 9.181 9.673 -2.671 161 HD3 LYS 97 HD3 LYS 97 7.858 8.507 -2.709 162 HE2 LYS 97 HE2 LYS 97 7.035 10.395 -3.844 163 HE3 LYS 97 HE3 LYS 97 6.231 10.389 -2.278 164 HZ1 LYS 97 HZ1 LYS 97 7.814 12.129 -1.550 165 HZ2 LYS 97 HZ2 LYS 97 8.580 12.084 -3.002 166 HZ3 LYS 97 HZ3 LYS 97 7.043 12.611 -2.903 167 H GLY 98 H GLY 98 11.165 7.571 2.724 168 HA2 GLY 98 HA2 GLY 98 11.685 5.472 3.880 169 HA3 GLY 98 HA3 GLY 98 11.254 4.576 2.426 170 H GLY 99 H GLY 99 12.994 7.341 1.510 171 HA2 GLY 99 HA2 GLY 99 15.365 5.839 0.750 172 HA3 GLY 99 HA3 GLY 99 15.065 7.552 0.493 173 H ASN 100 H ASN 100 17.526 7.132 1.034 174 HA ASN 100 HA ASN 100 18.359 6.950 3.773 175 HB2 ASN 100 HB2 ASN 100 19.797 6.396 1.847 176 HB3 ASN 100 HB3 ASN 100 19.768 8.083 1.326 177 HD21 ASN 100 HD22 ASN 100 22.110 8.142 1.499 178 HD22 ASN 100 HD21 ASN 100 22.860 8.250 3.082 179 H HIS 101 H HIS 101 16.932 8.376 4.872 180 HA HIS 101 HA HIS 101 17.402 11.316 4.589 181 HB2 HIS 101 HB2 HIS 101 15.111 10.366 4.306 182 HB3 HIS 101 HB3 HIS 101 15.139 9.807 5.974 183 HD1 HIS 101 HD1 HIS 101 14.833 11.751 7.850 184 HD2 HIS 101 HD2 HIS 101 14.792 12.986 3.826 185 HE1 HIS 101 HE1 HIS 101 14.213 14.267 7.883 186 HE2 HIS 101 HE2 HIS 101 14.116 14.981 5.399 187 H LYS 102 H LYS 102 19.265 11.618 5.716 188 HA LYS 102 HA LYS 102 20.479 10.339 7.733 189 HB2 LYS 102 HB2 LYS 102 21.304 12.320 6.433 190 HB3 LYS 102 HB3 LYS 102 20.350 13.378 7.449 191 HG2 LYS 102 HG2 LYS 102 22.610 13.510 8.152 192 HG3 LYS 102 HG3 LYS 102 21.725 12.691 9.434 193 HD2 LYS 102 HD2 LYS 102 22.683 10.530 8.807 194 HD3 LYS 102 HD3 LYS 102 23.267 11.192 7.274 195 HE2 LYS 102 HE2 LYS 102 25.198 11.075 8.592 196 HE3 LYS 102 HE3 LYS 102 24.748 12.775 8.565 197 HZ1 LYS 102 HZ1 LYS 102 25.328 12.138 10.801 198 HZ2 LYS 102 HZ2 LYS 102 23.715 12.413 10.829 199 HZ3 LYS 102 HZ3 LYS 102 24.299 10.874 10.812 200 H THR 103 H THR 103 18.147 12.940 8.564 201 HA THR 103 HA THR 103 18.344 12.732 11.357 202 HB THR 103 HB THR 103 15.830 13.381 9.757 203 HG1 THR 103 HG1 THR 103 16.691 15.522 9.828 204 HG21 THR 103 HG21 THR 103 16.747 14.390 12.483 205 HG22 THR 103 HG22 THR 103 15.316 14.947 11.576 206 HG23 THR 103 HG23 THR 103 15.382 13.290 12.181 207 H LEU 104 H LEU 104 16.441 10.649 9.191 208 HA LEU 104 HA LEU 104 14.968 9.315 11.381 209 HB2 LEU 104 HB2 LEU 104 13.972 9.416 9.111 210 HB3 LEU 104 HB3 LEU 104 15.404 8.641 8.422 211 HG LEU 104 HG LEU 104 14.905 6.584 9.720 212 HD11 LEU 104 HD11 LEU 104 12.724 6.254 10.736 213 HD12 LEU 104 HD12 LEU 104 13.592 7.548 11.572 214 HD13 LEU 104 HD13 LEU 104 12.286 7.950 10.428 215 HD21 LEU 104 HD21 LEU 104 13.050 5.826 8.361 216 HD22 LEU 104 HD22 LEU 104 12.582 7.502 7.999 217 HD23 LEU 104 HD23 LEU 104 14.123 6.847 7.385 218 H LYS 105 H LYS 105 17.789 8.617 9.227 219 HA LYS 105 HA LYS 105 18.466 6.110 10.296 220 HB2 LYS 105 HB2 LYS 105 19.414 7.394 8.254 221 HB3 LYS 105 HB3 LYS 105 20.535 8.149 9.427 222 HG2 LYS 105 HG2 LYS 105 21.358 5.906 10.066 223 HG3 LYS 105 HG3 LYS 105 20.204 5.156 8.944 224 HD2 LYS 105 HD2 LYS 105 21.316 6.304 7.035 225 HD3 LYS 105 HD3 LYS 105 22.486 7.031 8.158 226 HE2 LYS 105 HE2 LYS 105 23.223 4.751 8.853 227 HE3 LYS 105 HE3 LYS 105 22.056 4.031 7.745 228 HZ1 LYS 105 HZ1 LYS 105 24.271 4.130 6.745 229 HZ2 LYS 105 HZ2 LYS 105 23.264 5.080 5.889 230 HZ3 LYS 105 HZ3 LYS 105 24.346 5.751 6.913 231 H GLU 106 H GLU 106 19.529 9.332 11.372 232 HA GLU 106 HA GLU 106 21.099 8.445 13.528 233 HB2 GLU 106 HB2 GLU 106 19.636 11.019 12.884 234 HB3 GLU 106 HB3 GLU 106 20.284 10.791 14.513 235 HG2 GLU 106 HG2 GLU 106 22.501 10.224 13.549 236 HG3 GLU 106 HG3 GLU 106 21.849 10.546 11.930 237 H TRP 107 H TRP 107 17.598 9.167 13.485 238 HA TRP 107 HA TRP 107 17.195 8.595 16.265 239 HB2 TRP 107 HB2 TRP 107 15.255 8.430 13.935 240 HB3 TRP 107 HB3 TRP 107 14.800 8.298 15.621 241 HD1 TRP 107 HD1 TRP 107 17.285 10.934 15.670 242 HE1 TRP 107 HE1 TRP 107 16.276 13.268 15.503 243 HE3 TRP 107 HE3 TRP 107 12.562 9.688 14.072 244 HZ2 TRP 107 HZ2 TRP 107 13.819 14.459 14.718 245 HZ3 TRP 107 HZ3 TRP 107 10.888 11.480 13.660 246 HH2 TRP 107 HH2 TRP 107 11.516 13.886 13.954 247 H LYS 108 H LYS 108 17.040 6.456 13.399 248 HA LYS 108 HA LYS 108 16.250 4.052 14.837 249 HB2 LYS 108 HB2 LYS 108 17.760 4.405 12.198 250 HB3 LYS 108 HB3 LYS 108 17.107 2.853 12.820 251 HG2 LYS 108 HG2 LYS 108 14.819 3.855 12.856 252 HG3 LYS 108 HG3 LYS 108 15.454 5.349 12.237 253 HD2 LYS 108 HD2 LYS 108 14.561 4.509 10.355 254 HD3 LYS 108 HD3 LYS 108 16.211 3.898 10.164 255 HE2 LYS 108 HE2 LYS 108 15.507 1.692 10.849 256 HE3 LYS 108 HE3 LYS 108 13.947 2.319 11.460 257 HZ1 LYS 108 HZ1 LYS 108 13.144 2.636 9.285 258 HZ2 LYS 108 HZ2 LYS 108 14.640 2.455 8.571 259 HZ3 LYS 108 HZ3 LYS 108 13.867 1.176 9.218 260 H ALA 109 H ALA 109 19.415 5.463 14.115 261 HA ALA 109 HA ALA 109 20.955 3.329 15.295 262 HB1 ALA 109 HB1 ALA 109 21.858 4.942 13.666 263 HB2 ALA 109 HB2 ALA 109 21.643 6.263 14.839 264 HB3 ALA 109 HB3 ALA 109 22.799 4.955 15.170 265 H LYS 110 H LYS 110 19.608 6.334 16.622 266 HA LYS 110 HA LYS 110 20.932 5.891 19.236 267 HB2 LYS 110 HB2 LYS 110 19.462 8.263 18.045 268 HB3 LYS 110 HB3 LYS 110 20.012 8.214 19.723 269 HG2 LYS 110 HG2 LYS 110 22.318 7.741 19.010 270 HG3 LYS 110 HG3 LYS 110 21.848 7.803 17.315 271 HD2 LYS 110 HD2 LYS 110 21.452 10.179 19.182 272 HD3 LYS 110 HD3 LYS 110 22.994 9.847 18.390 273 HE2 LYS 110 HE2 LYS 110 21.860 9.879 16.162 274 HE3 LYS 110 HE3 LYS 110 20.348 10.345 16.961 275 HZ1 LYS 110 HZ1 LYS 110 21.727 12.265 16.056 276 HZ2 LYS 110 HZ2 LYS 110 21.393 12.413 17.665 277 HZ3 LYS 110 HZ3 LYS 110 22.871 11.935 17.163 278 H TRP 111 H TRP 111 17.674 5.420 18.115 279 HA TRP 111 HA TRP 111 16.963 4.598 20.918 280 HB2 TRP 111 HB2 TRP 111 15.246 6.050 18.884 281 HB3 TRP 111 HB3 TRP 111 14.613 5.279 20.333 282 HD1 TRP 111 HD1 TRP 111 15.490 6.203 22.730 283 HE1 TRP 111 HE1 TRP 111 16.220 8.543 23.489 284 HE3 TRP 111 HE3 TRP 111 16.306 8.298 18.159 285 HZ2 TRP 111 HZ2 TRP 111 17.121 11.000 22.258 286 HZ3 TRP 111 HZ3 TRP 111 17.179 10.634 17.970 287 HH2 TRP 111 HH2 TRP 111 17.573 11.991 20.010 288 H GLY 112 H GLY 112 17.457 3.355 17.854 289 HA2 GLY 112 HA2 GLY 112 17.428 1.027 17.506 290 HA3 GLY 112 HA3 GLY 112 16.050 0.824 18.573 291 HA PRO 113 HA PRO 113 14.897 1.941 13.975 292 HB2 PRO 113 HB2 PRO 113 15.063 -0.499 12.603 293 HB3 PRO 113 HB3 PRO 113 16.277 0.808 12.573 294 HG2 PRO 113 HG2 PRO 113 16.264 -1.677 14.257 295 HG3 PRO 113 HG3 PRO 113 17.637 -0.868 13.392 296 HD2 PRO 113 HD2 PRO 113 17.245 -0.613 16.057 297 HD3 PRO 113 HD3 PRO 113 17.848 0.743 15.048 298 H GLU 114 H GLU 114 14.179 -1.068 15.806 299 HA GLU 114 HA GLU 114 11.580 -1.470 14.688 300 HB2 GLU 114 HB2 GLU 114 12.823 -2.340 17.331 301 HB3 GLU 114 HB3 GLU 114 11.242 -2.892 16.749 302 HG2 GLU 114 HG2 GLU 114 12.311 -3.823 14.708 303 HG3 GLU 114 HG3 GLU 114 13.896 -3.332 15.316 304 H ALA 115 H ALA 115 12.713 0.323 17.523 305 HA ALA 115 HA ALA 115 10.113 1.132 18.514 306 HB1 ALA 115 HB1 ALA 115 12.872 2.406 18.806 307 HB2 ALA 115 HB2 ALA 115 11.437 2.838 19.754 308 HB3 ALA 115 HB3 ALA 115 12.146 1.210 19.896 309 H VAL 116 H VAL 116 12.525 2.742 16.395 310 HA VAL 116 HA VAL 116 10.950 5.071 15.884 311 HB VAL 116 HB VAL 116 13.212 3.808 14.326 312 HG11 VAL 116 HG11 VAL 116 13.547 6.113 13.375 313 HG12 VAL 116 HG12 VAL 116 12.058 5.346 12.812 314 HG13 VAL 116 HG13 VAL 116 11.989 6.595 14.077 315 HG21 VAL 116 HG21 VAL 116 13.152 6.136 16.287 316 HG22 VAL 116 HG22 VAL 116 13.794 4.545 16.662 317 HG23 VAL 116 HG23 VAL 116 14.569 5.526 15.431 318 H GLU 117 H GLU 117 11.076 1.953 14.018 319 HA GLU 117 HA GLU 117 9.208 2.933 12.026 320 HB2 GLU 117 HB2 GLU 117 9.980 0.126 12.916 321 HB3 GLU 117 HB3 GLU 117 8.798 0.438 11.654 322 HG2 GLU 117 HG2 GLU 117 11.724 1.272 11.592 323 HG3 GLU 117 HG3 GLU 117 10.977 -0.030 10.673 324 H SER 118 H SER 118 8.782 1.698 15.318 325 HA SER 118 HA SER 118 5.901 1.391 15.105 326 HB2 SER 118 HB2 SER 118 7.209 0.306 16.813 327 HB3 SER 118 HB3 SER 118 7.501 1.878 17.607 328 HG SER 118 HG SER 118 5.680 0.723 18.480 329 H TRP 119 H TRP 119 8.067 4.182 15.620 330 HA TRP 119 HA TRP 119 5.954 6.073 16.280 331 HB2 TRP 119 HB2 TRP 119 8.595 6.727 14.953 332 HB3 TRP 119 HB3 TRP 119 7.544 7.795 15.846 333 HD1 TRP 119 HD1 TRP 119 7.492 5.349 18.284 334 HE1 TRP 119 HE1 TRP 119 9.415 5.470 19.963 335 HE3 TRP 119 HE3 TRP 119 10.730 8.376 15.646 336 HZ2 TRP 119 HZ2 TRP 119 12.068 6.556 20.084 337 HZ3 TRP 119 HZ3 TRP 119 12.874 9.055 16.667 338 HH2 TRP 119 HH2 TRP 119 13.585 8.133 18.858 339 H ALA 120 H ALA 120 6.862 4.501 13.316 340 HA ALA 120 HA ALA 120 6.365 6.621 11.510 341 HB1 ALA 120 HB1 ALA 120 7.621 4.466 11.035 342 HB2 ALA 120 HB2 ALA 120 6.043 3.680 10.840 343 HB3 ALA 120 HB3 ALA 120 6.508 5.012 9.764 344 H THR 121 H THR 121 4.633 7.207 10.256 345 HA THR 121 HA THR 121 2.062 5.695 10.326 346 HB THR 121 HB THR 121 0.984 8.075 10.207 347 HG1 THR 121 HG1 THR 121 3.326 8.640 11.722 348 HG21 THR 121 HG21 THR 121 0.664 8.167 12.631 349 HG22 THR 121 HG22 THR 121 0.539 6.503 12.033 350 HG23 THR 121 HG23 THR 121 2.016 7.038 12.873 351 H LEU 122 H LEU 122 1.451 5.176 8.435 352 HA LEU 122 HA LEU 122 2.655 6.279 6.006 353 HB2 LEU 122 HB2 LEU 122 0.580 4.174 6.704 354 HB3 LEU 122 HB3 LEU 122 0.907 4.598 5.019 355 HG LEU 122 HG LEU 122 3.117 3.698 6.916 356 HD11 LEU 122 HD11 LEU 122 1.448 1.995 5.007 357 HD12 LEU 122 HD12 LEU 122 2.894 1.454 5.890 358 HD13 LEU 122 HD13 LEU 122 1.429 1.904 6.781 359 HD21 LEU 122 HD21 LEU 122 2.865 3.706 3.865 360 HD22 LEU 122 HD22 LEU 122 3.829 4.852 4.808 361 HD23 LEU 122 HD23 LEU 122 4.271 3.138 4.787 362 H LEU 123 H LEU 123 1.974 8.094 5.032 363 HA LEU 123 HA LEU 123 -0.591 9.316 5.762 364 HB2 LEU 123 HB2 LEU 123 1.556 10.278 3.830 365 HB3 LEU 123 HB3 LEU 123 0.208 11.219 4.460 366 HG LEU 123 HG LEU 123 2.651 10.230 5.983 367 HD11 LEU 123 HD11 LEU 123 1.495 13.006 5.498 368 HD12 LEU 123 HD12 LEU 123 3.003 12.622 6.350 369 HD13 LEU 123 HD13 LEU 123 2.856 12.294 4.618 370 HD21 LEU 123 HD21 LEU 123 0.789 9.956 7.542 371 HD22 LEU 123 HD22 LEU 123 1.657 11.428 7.963 372 HD23 LEU 123 HD23 LEU 123 0.118 11.540 7.083 373 H GLY 124 H GLY 124 -1.309 7.056 4.675 374 HA2 GLY 124 HA2 GLY 124 -2.837 7.692 2.254 375 HA3 GLY 124 HA3 GLY 124 -1.524 6.535 1.989 376 H HIS 125 H HIS 125 -3.881 7.029 4.659 377 HA HIS 125 HA HIS 125 -5.002 4.315 4.277 378 HB2 HIS 125 HB2 HIS 125 -4.678 3.635 6.505 379 HB3 HIS 125 HB3 HIS 125 -3.103 4.178 5.941 380 HD1 HIS 125 HD1 HIS 125 -2.082 6.356 7.250 381 HD2 HIS 125 HD2 HIS 125 -5.944 5.075 8.390 382 HE1 HIS 125 HE1 HIS 125 -2.663 7.626 9.415 383 HE2 HIS 125 HE2 HIS 125 -5.015 6.829 10.111 Start of MODEL 2 1 H ALA 79 H1 ALA 79 1.930 0.578 0.099 2 HA ALA 79 HA ALA 79 4.595 0.570 -1.193 3 HB1 ALA 79 HB1 ALA 79 1.896 -0.211 -2.398 4 HB2 ALA 79 HB2 ALA 79 3.449 -0.129 -3.255 5 HB3 ALA 79 HB3 ALA 79 3.214 -1.328 -1.979 6 H ARG 80 H ARG 80 5.208 2.338 -2.222 7 HA ARG 80 HA ARG 80 5.301 4.452 -3.075 8 HB2 ARG 80 HB2 ARG 80 2.761 3.550 -4.374 9 HB3 ARG 80 HB3 ARG 80 3.833 4.885 -4.876 10 HG2 ARG 80 HG2 ARG 80 5.749 3.271 -4.998 11 HG3 ARG 80 HG3 ARG 80 4.624 1.947 -4.659 12 HD2 ARG 80 HD2 ARG 80 4.912 1.997 -7.016 13 HD3 ARG 80 HD3 ARG 80 3.297 2.602 -6.651 14 HE ARG 80 HE ARG 80 3.851 4.694 -7.476 15 HH11 ARG 80 HH11 ARG 80 6.844 2.861 -7.309 16 HH12 ARG 80 HH12 ARG 80 7.724 4.055 -8.225 17 HH21 ARG 80 HH21 ARG 80 5.035 6.164 -8.621 18 HH22 ARG 80 HH22 ARG 80 6.719 5.881 -8.945 19 H LYS 81 H LYS 81 4.332 4.624 -0.447 20 HA LYS 81 HA LYS 81 2.921 7.265 -0.541 21 HB2 LYS 81 HB2 LYS 81 2.177 4.843 1.164 22 HB3 LYS 81 HB3 LYS 81 1.706 6.493 1.601 23 HG2 LYS 81 HG2 LYS 81 0.528 6.743 -0.575 24 HG3 LYS 81 HG3 LYS 81 0.938 5.064 -0.976 25 HD2 LYS 81 HD2 LYS 81 -0.314 4.269 1.010 26 HD3 LYS 81 HD3 LYS 81 -0.737 5.946 1.418 27 HE2 LYS 81 HE2 LYS 81 -1.885 6.196 -0.774 28 HE3 LYS 81 HE3 LYS 81 -1.462 4.528 -1.187 29 HZ1 LYS 81 HZ1 LYS 81 -3.727 4.670 -0.321 30 HZ2 LYS 81 HZ2 LYS 81 -2.822 3.781 0.704 31 HZ3 LYS 81 HZ3 LYS 81 -3.226 5.323 1.084 32 H VAL 82 H VAL 82 3.209 8.581 1.215 33 HA VAL 82 HA VAL 82 5.928 8.672 2.262 34 HB VAL 82 HB VAL 82 3.445 10.386 2.633 35 HG11 VAL 82 HG11 VAL 82 4.667 10.745 4.698 36 HG12 VAL 82 HG12 VAL 82 6.209 10.920 3.806 37 HG13 VAL 82 HG13 VAL 82 4.929 12.129 3.641 38 HG21 VAL 82 HG21 VAL 82 4.687 11.991 1.257 39 HG22 VAL 82 HG22 VAL 82 6.094 10.910 1.220 40 HG23 VAL 82 HG23 VAL 82 4.578 10.443 0.409 41 H LYS 83 H LYS 83 6.662 8.346 4.296 42 HA LYS 83 HA LYS 83 4.753 7.531 6.464 43 HB2 LYS 83 HB2 LYS 83 7.588 6.585 5.891 44 HB3 LYS 83 HB3 LYS 83 6.872 6.512 7.515 45 HG2 LYS 83 HG2 LYS 83 5.013 5.153 6.696 46 HG3 LYS 83 HG3 LYS 83 5.693 5.168 5.054 47 HD2 LYS 83 HD2 LYS 83 7.638 3.925 5.746 48 HD3 LYS 83 HD3 LYS 83 7.260 4.145 7.469 49 HE2 LYS 83 HE2 LYS 83 5.240 2.785 7.270 50 HE3 LYS 83 HE3 LYS 83 5.490 2.599 5.525 51 HZ1 LYS 83 HZ1 LYS 83 7.346 1.560 7.623 52 HZ2 LYS 83 HZ2 LYS 83 6.310 0.651 6.743 53 HZ3 LYS 83 HZ3 LYS 83 7.561 1.387 6.008 54 H GLN 84 H GLN 84 4.506 8.984 7.878 55 HA GLN 84 HA GLN 84 6.426 11.173 8.435 56 HB2 GLN 84 HB2 GLN 84 4.082 11.742 8.322 57 HB3 GLN 84 HB3 GLN 84 3.631 10.405 9.360 58 HG2 GLN 84 HG2 GLN 84 4.791 11.540 11.276 59 HG3 GLN 84 HG3 GLN 84 5.183 12.892 10.202 60 HE21 GLN 84 HE22 GLN 84 2.338 10.901 11.286 61 HE22 GLN 84 HE21 GLN 84 1.255 12.291 11.398 62 H TYR 85 H TYR 85 7.481 11.305 10.413 63 HA TYR 85 HA TYR 85 7.157 9.106 12.403 64 HB2 TYR 85 HB2 TYR 85 9.815 10.149 11.346 65 HB3 TYR 85 HB3 TYR 85 9.634 9.136 12.760 66 HD1 TYR 85 HD1 TYR 85 9.222 9.203 9.036 67 HD2 TYR 85 HD2 TYR 85 9.543 6.787 12.592 68 HE1 TYR 85 HE1 TYR 85 9.566 7.182 7.633 69 HE2 TYR 85 HE2 TYR 85 9.932 4.775 11.192 70 HH TYR 85 HH TYR 85 9.994 4.902 7.609 71 H LYS 86 H LYS 86 7.556 9.772 14.522 72 HA LYS 86 HA LYS 86 8.146 12.652 15.059 73 HB2 LYS 86 HB2 LYS 86 5.702 12.311 15.134 74 HB3 LYS 86 HB3 LYS 86 5.904 10.962 16.265 75 HG2 LYS 86 HG2 LYS 86 6.749 12.447 18.000 76 HG3 LYS 86 HG3 LYS 86 6.777 13.821 16.883 77 HD2 LYS 86 HD2 LYS 86 4.301 13.679 16.656 78 HD3 LYS 86 HD3 LYS 86 4.281 12.301 17.778 79 HE2 LYS 86 HE2 LYS 86 5.291 13.737 19.548 80 HE3 LYS 86 HE3 LYS 86 5.312 15.107 18.428 81 HZ1 LYS 86 HZ1 LYS 86 2.844 13.720 19.361 82 HZ2 LYS 86 HZ2 LYS 86 3.358 15.182 19.876 83 HZ3 LYS 86 HZ3 LYS 86 2.873 14.992 18.332 84 H ASN 87 H ASN 87 9.376 13.006 16.861 85 HA ASN 87 HA ASN 87 10.430 10.569 18.288 86 HB2 ASN 87 HB2 ASN 87 11.979 11.578 16.684 87 HB3 ASN 87 HB3 ASN 87 11.920 13.108 17.559 88 HD21 ASN 87 HD22 ASN 87 14.336 11.693 17.125 89 HD22 ASN 87 HD21 ASN 87 14.874 11.067 18.680 90 HA PRO 88 HA PRO 88 8.220 12.844 21.640 91 HB2 PRO 88 HB2 PRO 88 9.004 10.189 22.877 92 HB3 PRO 88 HB3 PRO 88 7.508 11.147 23.130 93 HG2 PRO 88 HG2 PRO 88 7.482 9.038 21.445 94 HG3 PRO 88 HG3 PRO 88 6.680 10.574 20.973 95 HD2 PRO 88 HD2 PRO 88 9.358 9.497 20.091 96 HD3 PRO 88 HD3 PRO 88 8.090 10.345 19.150 97 H HIS 89 H HIS 89 11.448 11.368 21.640 98 HA HIS 89 HA HIS 89 12.274 12.475 24.209 99 HB2 HIS 89 HB2 HIS 89 13.989 11.314 21.976 100 HB3 HIS 89 HB3 HIS 89 14.454 11.551 23.656 101 HD1 HIS 89 HD1 HIS 89 13.057 9.943 25.495 102 HD2 HIS 89 HD2 HIS 89 12.771 9.046 21.374 103 HE1 HIS 89 HE1 HIS 89 12.109 7.552 25.334 104 HE2 HIS 89 HE2 HIS 89 11.933 7.014 22.821 105 H THR 90 H THR 90 12.183 13.792 20.989 106 HA THR 90 HA THR 90 13.788 16.168 21.890 107 HB THR 90 HB THR 90 14.522 16.448 19.615 108 HG1 THR 90 HG1 THR 90 13.913 14.979 18.039 109 HG21 THR 90 HG21 THR 90 15.900 14.467 19.281 110 HG22 THR 90 HG22 THR 90 15.808 14.793 21.022 111 HG23 THR 90 HG23 THR 90 14.829 13.489 20.305 112 H GLY 91 H GLY 91 10.772 15.120 20.483 113 HA2 GLY 91 HA2 GLY 91 8.790 16.404 20.383 114 HA3 GLY 91 HA3 GLY 91 9.731 17.899 20.395 115 H GLU 92 H GLU 92 11.367 16.083 18.180 116 HA GLU 92 HA GLU 92 10.385 17.608 15.964 117 HB2 GLU 92 HB2 GLU 92 12.501 15.526 16.436 118 HB3 GLU 92 HB3 GLU 92 11.930 15.726 14.777 119 HG2 GLU 92 HG2 GLU 92 12.365 17.950 14.664 120 HG3 GLU 92 HG3 GLU 92 12.752 18.100 16.408 121 H VAL 93 H VAL 93 9.479 17.073 14.054 122 HA VAL 93 HA VAL 93 8.389 14.356 13.571 123 HB VAL 93 HB VAL 93 7.134 17.016 12.858 124 HG11 VAL 93 HG11 VAL 93 6.526 15.247 11.238 125 HG12 VAL 93 HG12 VAL 93 6.063 14.168 12.571 126 HG13 VAL 93 HG13 VAL 93 5.137 15.647 12.240 127 HG21 VAL 93 HG21 VAL 93 5.361 16.495 14.491 128 HG22 VAL 93 HG22 VAL 93 6.297 15.072 15.022 129 HG23 VAL 93 HG23 VAL 93 6.951 16.719 15.231 130 H ILE 94 H ILE 94 8.642 13.648 11.486 131 HA ILE 94 HA ILE 94 9.689 15.397 9.352 132 HB ILE 94 HB ILE 94 11.439 13.733 8.751 133 HG12 ILE 94 HG12 ILE 94 10.850 12.470 11.459 134 HG13 ILE 94 HG13 ILE 94 10.477 11.768 9.884 135 HG21 ILE 94 HG21 ILE 94 13.104 14.515 10.301 136 HG22 ILE 94 HG22 ILE 94 11.934 15.808 10.031 137 HG23 ILE 94 HG23 ILE 94 11.886 14.865 11.538 138 HD11 ILE 94 HD11 ILE 94 12.468 10.741 10.786 139 HD12 ILE 94 HD12 ILE 94 12.874 11.667 9.330 140 HD13 ILE 94 HD13 ILE 94 13.272 12.307 10.952 141 H GLU 95 H GLU 95 9.677 14.313 7.302 142 HA GLU 95 HA GLU 95 7.848 11.986 6.922 143 HB2 GLU 95 HB2 GLU 95 7.660 14.730 5.604 144 HB3 GLU 95 HB3 GLU 95 6.941 13.283 4.900 145 HG2 GLU 95 HG2 GLU 95 5.438 13.001 6.751 146 HG3 GLU 95 HG3 GLU 95 6.243 14.266 7.682 147 H THR 96 H THR 96 8.456 10.612 5.371 148 HA THR 96 HA THR 96 10.279 11.383 3.170 149 HB THR 96 HB THR 96 11.932 10.804 4.757 150 HG1 THR 96 HG1 THR 96 12.850 9.044 3.774 151 HG21 THR 96 HG21 THR 96 10.651 9.645 6.500 152 HG22 THR 96 HG22 THR 96 10.340 8.279 5.397 153 HG23 THR 96 HG23 THR 96 11.992 8.626 5.956 154 H LYS 97 H LYS 97 10.442 9.668 1.535 155 HA LYS 97 HA LYS 97 7.989 7.954 1.326 156 HB2 LYS 97 HB2 LYS 97 10.112 8.767 -0.701 157 HB3 LYS 97 HB3 LYS 97 8.782 7.645 -1.042 158 HG2 LYS 97 HG2 LYS 97 7.132 9.382 -0.421 159 HG3 LYS 97 HG3 LYS 97 8.438 10.550 -0.181 160 HD2 LYS 97 HD2 LYS 97 7.779 9.140 -2.805 161 HD3 LYS 97 HD3 LYS 97 7.296 10.784 -2.371 162 HE2 LYS 97 HE2 LYS 97 9.709 11.426 -2.156 163 HE3 LYS 97 HE3 LYS 97 10.171 9.803 -2.681 164 HZ1 LYS 97 HZ1 LYS 97 9.010 10.231 -4.795 165 HZ2 LYS 97 HZ2 LYS 97 8.602 11.741 -4.313 166 HZ3 LYS 97 HZ3 LYS 97 10.167 11.354 -4.553 167 H GLY 98 H GLY 98 11.001 7.589 2.642 168 HA2 GLY 98 HA2 GLY 98 11.478 5.435 3.653 169 HA3 GLY 98 HA3 GLY 98 11.002 4.620 2.166 170 H GLY 99 H GLY 99 12.857 7.347 1.357 171 HA2 GLY 99 HA2 GLY 99 15.180 5.782 0.548 172 HA3 GLY 99 HA3 GLY 99 14.946 7.516 0.362 173 H ASN 100 H ASN 100 17.383 6.962 0.913 174 HA ASN 100 HA ASN 100 18.151 6.672 3.675 175 HB2 ASN 100 HB2 ASN 100 19.600 6.070 1.768 176 HB3 ASN 100 HB3 ASN 100 19.665 7.764 1.271 177 HD21 ASN 100 HD22 ASN 100 22.011 7.654 1.481 178 HD22 ASN 100 HD21 ASN 100 22.742 7.717 3.075 179 H HIS 101 H HIS 101 16.774 8.145 4.761 180 HA HIS 101 HA HIS 101 17.322 11.071 4.488 181 HB2 HIS 101 HB2 HIS 101 15.004 10.117 4.285 182 HB3 HIS 101 HB3 HIS 101 15.079 9.613 5.967 183 HD1 HIS 101 HD1 HIS 101 14.825 11.621 7.788 184 HD2 HIS 101 HD2 HIS 101 14.732 12.730 3.726 185 HE1 HIS 101 HE1 HIS 101 14.211 14.134 7.746 186 HE2 HIS 101 HE2 HIS 101 14.095 14.778 5.248 187 H LYS 102 H LYS 102 19.240 11.329 5.575 188 HA LYS 102 HA LYS 102 20.394 10.003 7.613 189 HB2 LYS 102 HB2 LYS 102 21.438 11.783 6.280 190 HB3 LYS 102 HB3 LYS 102 20.505 13.009 7.127 191 HG2 LYS 102 HG2 LYS 102 22.757 13.022 7.927 192 HG3 LYS 102 HG3 LYS 102 21.700 12.498 9.230 193 HD2 LYS 102 HD2 LYS 102 22.397 10.145 8.889 194 HD3 LYS 102 HD3 LYS 102 23.374 10.633 7.479 195 HE2 LYS 102 HE2 LYS 102 24.702 12.151 8.978 196 HE3 LYS 102 HE3 LYS 102 23.773 11.573 10.364 197 HZ1 LYS 102 HZ1 LYS 102 25.886 10.377 10.138 198 HZ2 LYS 102 HZ2 LYS 102 24.660 9.318 9.929 199 HZ3 LYS 102 HZ3 LYS 102 25.511 9.871 8.639 200 H THR 103 H THR 103 18.196 12.742 8.360 201 HA THR 103 HA THR 103 18.421 12.655 11.159 202 HB THR 103 HB THR 103 15.883 13.274 9.588 203 HG1 THR 103 HG1 THR 103 16.773 15.398 9.507 204 HG21 THR 103 HG21 THR 103 16.906 14.383 12.234 205 HG22 THR 103 HG22 THR 103 15.460 14.941 11.352 206 HG23 THR 103 HG23 THR 103 15.506 13.309 12.022 207 H LEU 104 H LEU 104 16.473 10.507 9.104 208 HA LEU 104 HA LEU 104 15.008 9.297 11.364 209 HB2 LEU 104 HB2 LEU 104 14.054 9.391 9.047 210 HB3 LEU 104 HB3 LEU 104 15.398 8.408 8.458 211 HG LEU 104 HG LEU 104 14.649 6.533 9.936 212 HD11 LEU 104 HD11 LEU 104 12.365 6.630 10.869 213 HD12 LEU 104 HD12 LEU 104 13.414 7.812 11.659 214 HD13 LEU 104 HD13 LEU 104 12.241 8.340 10.431 215 HD21 LEU 104 HD21 LEU 104 13.938 6.685 7.561 216 HD22 LEU 104 HD22 LEU 104 12.724 5.904 8.585 217 HD23 LEU 104 HD23 LEU 104 12.490 7.588 8.071 218 H LYS 105 H LYS 105 17.806 8.449 9.234 219 HA LYS 105 HA LYS 105 18.465 5.989 10.444 220 HB2 LYS 105 HB2 LYS 105 19.417 7.215 8.324 221 HB3 LYS 105 HB3 LYS 105 20.587 7.922 9.480 222 HG2 LYS 105 HG2 LYS 105 21.294 5.656 10.146 223 HG3 LYS 105 HG3 LYS 105 20.077 4.944 9.067 224 HD2 LYS 105 HD2 LYS 105 21.214 5.966 7.105 225 HD3 LYS 105 HD3 LYS 105 22.445 6.657 8.181 226 HE2 LYS 105 HE2 LYS 105 23.074 4.361 8.929 227 HE3 LYS 105 HE3 LYS 105 21.824 3.678 7.886 228 HZ1 LYS 105 HZ1 LYS 105 23.033 4.588 5.958 229 HZ2 LYS 105 HZ2 LYS 105 24.199 5.205 6.926 230 HZ3 LYS 105 HZ3 LYS 105 24.001 3.593 6.810 231 H GLU 106 H GLU 106 19.558 9.264 11.338 232 HA GLU 106 HA GLU 106 21.120 8.549 13.555 233 HB2 GLU 106 HB2 GLU 106 19.483 10.998 12.839 234 HB3 GLU 106 HB3 GLU 106 20.138 10.863 14.467 235 HG2 GLU 106 HG2 GLU 106 22.398 10.482 13.532 236 HG3 GLU 106 HG3 GLU 106 21.737 10.722 11.894 237 H TRP 107 H TRP 107 17.587 9.108 13.451 238 HA TRP 107 HA TRP 107 17.200 8.595 16.251 239 HB2 TRP 107 HB2 TRP 107 15.230 8.354 13.950 240 HB3 TRP 107 HB3 TRP 107 14.814 8.298 15.652 241 HD1 TRP 107 HD1 TRP 107 17.285 10.920 15.585 242 HE1 TRP 107 HE1 TRP 107 16.282 13.249 15.356 243 HE3 TRP 107 HE3 TRP 107 12.544 9.635 14.055 244 HZ2 TRP 107 HZ2 TRP 107 13.824 14.421 14.538 245 HZ3 TRP 107 HZ3 TRP 107 10.869 11.424 13.612 246 HH2 TRP 107 HH2 TRP 107 11.509 13.834 13.838 247 H LYS 108 H LYS 108 17.121 6.378 13.440 248 HA LYS 108 HA LYS 108 16.351 4.010 14.938 249 HB2 LYS 108 HB2 LYS 108 18.016 4.246 12.386 250 HB3 LYS 108 HB3 LYS 108 17.312 2.737 13.026 251 HG2 LYS 108 HG2 LYS 108 15.030 3.761 12.803 252 HG3 LYS 108 HG3 LYS 108 15.754 5.180 12.087 253 HD2 LYS 108 HD2 LYS 108 15.437 4.214 10.088 254 HD3 LYS 108 HD3 LYS 108 16.830 3.192 10.476 255 HE2 LYS 108 HE2 LYS 108 15.224 1.583 11.600 256 HE3 LYS 108 HE3 LYS 108 13.882 2.599 11.061 257 HZ1 LYS 108 HZ1 LYS 108 14.205 0.750 9.554 258 HZ2 LYS 108 HZ2 LYS 108 14.557 2.129 8.737 259 HZ3 LYS 108 HZ3 LYS 108 15.770 1.156 9.248 260 H ALA 109 H ALA 109 19.501 5.487 14.273 261 HA ALA 109 HA ALA 109 21.077 3.452 15.578 262 HB1 ALA 109 HB1 ALA 109 21.681 6.387 15.026 263 HB2 ALA 109 HB2 ALA 109 22.871 5.130 15.420 264 HB3 ALA 109 HB3 ALA 109 21.957 5.043 13.900 265 H LYS 110 H LYS 110 19.592 6.457 16.743 266 HA LYS 110 HA LYS 110 20.854 6.156 19.408 267 HB2 LYS 110 HB2 LYS 110 19.375 8.445 18.075 268 HB3 LYS 110 HB3 LYS 110 19.892 8.473 19.764 269 HG2 LYS 110 HG2 LYS 110 22.214 7.997 19.115 270 HG3 LYS 110 HG3 LYS 110 21.786 7.990 17.411 271 HD2 LYS 110 HD2 LYS 110 21.319 10.427 19.178 272 HD3 LYS 110 HD3 LYS 110 22.886 10.084 18.447 273 HE2 LYS 110 HE2 LYS 110 21.844 10.057 16.175 274 HE3 LYS 110 HE3 LYS 110 20.288 10.495 16.907 275 HZ1 LYS 110 HZ1 LYS 110 22.761 12.156 17.172 276 HZ2 LYS 110 HZ2 LYS 110 21.644 12.436 16.026 277 HZ3 LYS 110 HZ3 LYS 110 21.254 12.597 17.621 278 H TRP 111 H TRP 111 17.645 5.572 18.204 279 HA TRP 111 HA TRP 111 16.834 4.869 21.010 280 HB2 TRP 111 HB2 TRP 111 15.200 6.245 18.855 281 HB3 TRP 111 HB3 TRP 111 14.503 5.533 20.299 282 HD1 TRP 111 HD1 TRP 111 15.318 6.508 22.705 283 HE1 TRP 111 HE1 TRP 111 16.077 8.844 23.432 284 HE3 TRP 111 HE3 TRP 111 16.256 8.494 18.115 285 HZ2 TRP 111 HZ2 TRP 111 17.024 11.270 22.172 286 HZ3 TRP 111 HZ3 TRP 111 17.192 10.809 17.899 287 HH2 TRP 111 HH2 TRP 111 17.546 12.205 19.918 288 H GLY 112 H GLY 112 17.378 3.538 17.971 289 HA2 GLY 112 HA2 GLY 112 17.401 1.186 17.776 290 HA3 GLY 112 HA3 GLY 112 15.963 1.034 18.766 291 HA PRO 113 HA PRO 113 15.066 1.828 14.056 292 HB2 PRO 113 HB2 PRO 113 15.351 -0.704 12.870 293 HB3 PRO 113 HB3 PRO 113 16.543 0.618 12.804 294 HG2 PRO 113 HG2 PRO 113 16.496 -1.753 14.638 295 HG3 PRO 113 HG3 PRO 113 17.892 -0.934 13.819 296 HD2 PRO 113 HD2 PRO 113 17.304 -0.561 16.442 297 HD3 PRO 113 HD3 PRO 113 17.973 0.742 15.408 298 H GLU 114 H GLU 114 14.293 -1.102 15.991 299 HA GLU 114 HA GLU 114 11.736 -1.540 14.799 300 HB2 GLU 114 HB2 GLU 114 12.878 -2.324 17.514 301 HB3 GLU 114 HB3 GLU 114 11.325 -2.896 16.890 302 HG2 GLU 114 HG2 GLU 114 12.487 -3.886 14.920 303 HG3 GLU 114 HG3 GLU 114 14.040 -3.388 15.589 304 H ALA 115 H ALA 115 12.772 0.345 17.611 305 HA ALA 115 HA ALA 115 10.144 1.165 18.509 306 HB1 ALA 115 HB1 ALA 115 12.139 1.311 19.937 307 HB2 ALA 115 HB2 ALA 115 12.886 2.470 18.818 308 HB3 ALA 115 HB3 ALA 115 11.425 2.926 19.717 309 H VAL 116 H VAL 116 12.599 2.771 16.408 310 HA VAL 116 HA VAL 116 10.997 5.043 15.781 311 HB VAL 116 HB VAL 116 13.316 3.745 14.333 312 HG11 VAL 116 HG11 VAL 116 13.631 5.958 13.228 313 HG12 VAL 116 HG12 VAL 116 12.134 5.170 12.713 314 HG13 VAL 116 HG13 VAL 116 12.072 6.498 13.893 315 HG21 VAL 116 HG21 VAL 116 13.193 6.217 16.110 316 HG22 VAL 116 HG22 VAL 116 13.766 4.652 16.668 317 HG23 VAL 116 HG23 VAL 116 14.626 5.484 15.379 318 H GLU 117 H GLU 117 11.234 1.867 14.040 319 HA GLU 117 HA GLU 117 9.440 2.719 11.931 320 HB2 GLU 117 HB2 GLU 117 10.348 0.000 12.938 321 HB3 GLU 117 HB3 GLU 117 9.141 0.180 11.656 322 HG2 GLU 117 HG2 GLU 117 10.670 1.465 10.272 323 HG3 GLU 117 HG3 GLU 117 11.876 1.511 11.544 324 H SER 118 H SER 118 8.875 1.593 15.220 325 HA SER 118 HA SER 118 5.998 1.246 14.880 326 HB2 SER 118 HB2 SER 118 7.265 0.159 16.626 327 HB3 SER 118 HB3 SER 118 7.532 1.725 17.433 328 HG SER 118 HG SER 118 5.694 0.563 18.264 329 H TRP 119 H TRP 119 8.119 4.049 15.423 330 HA TRP 119 HA TRP 119 6.003 5.912 16.150 331 HB2 TRP 119 HB2 TRP 119 8.648 6.589 14.828 332 HB3 TRP 119 HB3 TRP 119 7.582 7.662 15.686 333 HD1 TRP 119 HD1 TRP 119 7.514 5.195 18.133 334 HE1 TRP 119 HE1 TRP 119 9.383 5.374 19.866 335 HE3 TRP 119 HE3 TRP 119 10.734 8.296 15.572 336 HZ2 TRP 119 HZ2 TRP 119 11.949 6.639 20.115 337 HZ3 TRP 119 HZ3 TRP 119 12.820 9.068 16.659 338 HH2 TRP 119 HH2 TRP 119 13.450 8.247 18.914 339 H ALA 120 H ALA 120 6.853 4.413 13.144 340 HA ALA 120 HA ALA 120 6.351 6.518 11.353 341 HB1 ALA 120 HB1 ALA 120 5.841 3.584 10.767 342 HB2 ALA 120 HB2 ALA 120 6.253 4.874 9.617 343 HB3 ALA 120 HB3 ALA 120 7.456 4.326 10.800 344 H THR 121 H THR 121 4.614 7.261 10.223 345 HA THR 121 HA THR 121 1.943 5.907 10.338 346 HB THR 121 HB THR 121 1.062 8.393 10.230 347 HG1 THR 121 HG1 THR 121 3.335 8.646 11.930 348 HG21 THR 121 HG21 THR 121 0.595 8.376 12.617 349 HG22 THR 121 HG22 THR 121 0.312 6.799 11.867 350 HG23 THR 121 HG23 THR 121 1.776 7.063 12.853 351 H LEU 122 H LEU 122 1.334 5.410 8.450 352 HA LEU 122 HA LEU 122 2.376 6.497 5.984 353 HB2 LEU 122 HB2 LEU 122 -0.023 4.806 6.770 354 HB3 LEU 122 HB3 LEU 122 0.304 5.220 5.083 355 HG LEU 122 HG LEU 122 2.336 3.788 6.852 356 HD11 LEU 122 HD11 LEU 122 1.616 1.703 5.747 357 HD12 LEU 122 HD12 LEU 122 0.292 2.416 6.678 358 HD13 LEU 122 HD13 LEU 122 0.321 2.580 4.903 359 HD21 LEU 122 HD21 LEU 122 3.304 3.106 4.667 360 HD22 LEU 122 HD22 LEU 122 2.044 4.020 3.815 361 HD23 LEU 122 HD23 LEU 122 3.248 4.874 4.791 362 H LEU 123 H LEU 123 1.726 8.201 4.799 363 HA LEU 123 HA LEU 123 -0.708 9.727 5.672 364 HB2 LEU 123 HB2 LEU 123 1.730 10.753 4.160 365 HB3 LEU 123 HB3 LEU 123 0.347 11.696 4.703 366 HG LEU 123 HG LEU 123 2.567 10.502 6.393 367 HD11 LEU 123 HD11 LEU 123 1.470 13.318 5.951 368 HD12 LEU 123 HD12 LEU 123 2.810 12.912 7.020 369 HD13 LEU 123 HD13 LEU 123 2.976 12.650 5.278 370 HD21 LEU 123 HD21 LEU 123 0.484 10.155 7.682 371 HD22 LEU 123 HD22 LEU 123 1.393 11.494 8.364 372 HD23 LEU 123 HD23 LEU 123 -0.029 11.824 7.348 373 H GLY 124 H GLY 124 -1.836 10.916 3.952 374 HA2 GLY 124 HA2 GLY 124 -1.539 9.911 1.150 375 HA3 GLY 124 HA3 GLY 124 -3.095 9.750 1.970 376 H HIS 125 H HIS 125 -1.076 12.583 2.554 377 HA HIS 125 HA HIS 125 -3.115 14.441 1.745 378 HB2 HIS 125 HB2 HIS 125 -1.411 16.161 2.221 379 HB3 HIS 125 HB3 HIS 125 -1.649 15.015 3.529 380 HD1 HIS 125 HD1 HIS 125 0.695 14.221 0.603 381 HD2 HIS 125 HD2 HIS 125 0.756 15.500 4.618 382 HE1 HIS 125 HE1 HIS 125 3.190 14.141 1.372 383 HE2 HIS 125 HE2 HIS 125 3.202 14.891 3.848 Start of MODEL 3 1 H ALA 79 H1 ALA 79 4.612 0.902 0.637 2 HA ALA 79 HA ALA 79 6.209 0.769 -1.169 3 HB1 ALA 79 HB1 ALA 79 5.523 -0.050 -3.380 4 HB2 ALA 79 HB2 ALA 79 5.383 -1.323 -2.165 5 HB3 ALA 79 HB3 ALA 79 3.921 -0.497 -2.746 6 H ARG 80 H ARG 80 6.583 2.665 -2.064 7 HA ARG 80 HA ARG 80 6.372 4.791 -2.845 8 HB2 ARG 80 HB2 ARG 80 4.198 3.527 -4.507 9 HB3 ARG 80 HB3 ARG 80 5.116 5.011 -4.851 10 HG2 ARG 80 HG2 ARG 80 7.230 3.698 -4.719 11 HG3 ARG 80 HG3 ARG 80 6.289 2.207 -4.615 12 HD2 ARG 80 HD2 ARG 80 6.184 4.210 -6.916 13 HD3 ARG 80 HD3 ARG 80 7.101 2.693 -6.916 14 HE ARG 80 HE ARG 80 4.451 1.978 -6.312 15 HH11 ARG 80 HH11 ARG 80 6.111 3.363 -9.067 16 HH12 ARG 80 HH12 ARG 80 4.953 2.731 -10.206 17 HH21 ARG 80 HH21 ARG 80 3.004 1.199 -7.811 18 HH22 ARG 80 HH22 ARG 80 3.236 1.531 -9.502 19 H LYS 81 H LYS 81 5.025 4.636 -0.382 20 HA LYS 81 HA LYS 81 3.240 7.038 -0.628 21 HB2 LYS 81 HB2 LYS 81 2.787 4.609 1.153 22 HB3 LYS 81 HB3 LYS 81 1.887 6.136 1.291 23 HG2 LYS 81 HG2 LYS 81 0.965 5.838 -0.969 24 HG3 LYS 81 HG3 LYS 81 1.941 4.386 -1.208 25 HD2 LYS 81 HD2 LYS 81 0.730 3.425 0.863 26 HD3 LYS 81 HD3 LYS 81 -0.451 4.718 0.628 27 HE2 LYS 81 HE2 LYS 81 0.414 2.717 -1.527 28 HE3 LYS 81 HE3 LYS 81 -0.964 2.447 -0.462 29 HZ1 LYS 81 HZ1 LYS 81 -1.560 3.415 -2.655 30 HZ2 LYS 81 HZ2 LYS 81 -2.112 4.290 -1.403 31 HZ3 LYS 81 HZ3 LYS 81 -0.793 4.808 -2.268 32 H VAL 82 H VAL 82 3.273 8.418 1.123 33 HA VAL 82 HA VAL 82 5.931 8.747 2.309 34 HB VAL 82 HB VAL 82 3.368 10.351 2.605 35 HG11 VAL 82 HG11 VAL 82 4.845 12.173 3.504 36 HG12 VAL 82 HG12 VAL 82 4.692 10.817 4.614 37 HG13 VAL 82 HG13 VAL 82 6.170 11.006 3.638 38 HG21 VAL 82 HG21 VAL 82 4.418 10.403 0.340 39 HG22 VAL 82 HG22 VAL 82 4.501 11.968 1.155 40 HG23 VAL 82 HG23 VAL 82 5.943 10.934 1.084 41 H LYS 83 H LYS 83 6.611 8.381 4.325 42 HA LYS 83 HA LYS 83 4.677 7.582 6.475 43 HB2 LYS 83 HB2 LYS 83 7.540 6.699 5.949 44 HB3 LYS 83 HB3 LYS 83 6.786 6.582 7.550 45 HG2 LYS 83 HG2 LYS 83 4.999 5.171 6.682 46 HG3 LYS 83 HG3 LYS 83 5.697 5.245 5.043 47 HD2 LYS 83 HD2 LYS 83 7.682 4.067 5.750 48 HD3 LYS 83 HD3 LYS 83 7.263 4.234 7.465 49 HE2 LYS 83 HE2 LYS 83 5.313 2.792 7.207 50 HE3 LYS 83 HE3 LYS 83 5.585 2.667 5.458 51 HZ1 LYS 83 HZ1 LYS 83 7.707 1.535 5.935 52 HZ2 LYS 83 HZ2 LYS 83 7.452 1.636 7.552 53 HZ3 LYS 83 HZ3 LYS 83 6.472 0.719 6.620 54 H GLN 84 H GLN 84 4.441 9.009 7.945 55 HA GLN 84 HA GLN 84 6.353 11.210 8.501 56 HB2 GLN 84 HB2 GLN 84 4.016 11.800 8.366 57 HB3 GLN 84 HB3 GLN 84 3.547 10.449 9.385 58 HG2 GLN 84 HG2 GLN 84 4.693 11.560 11.328 59 HG3 GLN 84 HG3 GLN 84 5.074 12.930 10.271 60 HE21 GLN 84 HE22 GLN 84 2.231 10.880 11.278 61 HE22 GLN 84 HE21 GLN 84 1.134 12.261 11.407 62 H TYR 85 H TYR 85 7.426 11.323 10.469 63 HA TYR 85 HA TYR 85 7.097 9.117 12.466 64 HB2 TYR 85 HB2 TYR 85 9.741 10.188 11.390 65 HB3 TYR 85 HB3 TYR 85 9.580 9.155 12.789 66 HD1 TYR 85 HD1 TYR 85 9.064 9.264 9.071 67 HD2 TYR 85 HD2 TYR 85 9.582 6.806 12.581 68 HE1 TYR 85 HE1 TYR 85 9.384 7.262 7.634 69 HE2 TYR 85 HE2 TYR 85 9.961 4.827 11.153 70 HH TYR 85 HH TYR 85 10.062 4.005 8.965 71 H LYS 86 H LYS 86 7.470 9.785 14.597 72 HA LYS 86 HA LYS 86 8.076 12.668 15.100 73 HB2 LYS 86 HB2 LYS 86 5.633 12.308 15.201 74 HB3 LYS 86 HB3 LYS 86 5.865 11.009 16.398 75 HG2 LYS 86 HG2 LYS 86 6.746 12.596 18.028 76 HG3 LYS 86 HG3 LYS 86 6.684 13.910 16.840 77 HD2 LYS 86 HD2 LYS 86 4.211 13.665 16.697 78 HD3 LYS 86 HD3 LYS 86 4.279 12.364 17.908 79 HE2 LYS 86 HE2 LYS 86 5.282 13.954 19.547 80 HE3 LYS 86 HE3 LYS 86 5.218 15.246 18.341 81 HZ1 LYS 86 HZ1 LYS 86 3.296 15.345 19.830 82 HZ2 LYS 86 HZ2 LYS 86 2.779 15.022 18.322 83 HZ3 LYS 86 HZ3 LYS 86 2.835 13.826 19.438 84 H ASN 87 H ASN 87 9.385 13.048 16.788 85 HA ASN 87 HA ASN 87 10.450 10.674 18.299 86 HB2 ASN 87 HB2 ASN 87 11.969 11.655 16.642 87 HB3 ASN 87 HB3 ASN 87 11.930 13.192 17.506 88 HD21 ASN 87 HD22 ASN 87 14.360 12.116 17.186 89 HD22 ASN 87 HD21 ASN 87 14.911 11.336 18.664 90 HA PRO 88 HA PRO 88 8.335 13.307 21.416 91 HB2 PRO 88 HB2 PRO 88 7.943 11.324 23.333 92 HB3 PRO 88 HB3 PRO 88 6.863 11.675 21.952 93 HG2 PRO 88 HG2 PRO 88 9.054 9.592 22.132 94 HG3 PRO 88 HG3 PRO 88 7.373 9.382 21.541 95 HD2 PRO 88 HD2 PRO 88 9.413 9.736 19.821 96 HD3 PRO 88 HD3 PRO 88 7.849 10.558 19.521 97 H HIS 89 H HIS 89 11.392 11.691 21.617 98 HA HIS 89 HA HIS 89 12.234 12.637 24.212 99 HB2 HIS 89 HB2 HIS 89 13.947 12.074 21.748 100 HB3 HIS 89 HB3 HIS 89 14.497 12.168 23.417 101 HD1 HIS 89 HD1 HIS 89 13.009 9.749 20.972 102 HD2 HIS 89 HD2 HIS 89 13.519 10.183 25.142 103 HE1 HIS 89 HE1 HIS 89 12.530 7.416 22.032 104 HE2 HIS 89 HE2 HIS 89 12.861 7.700 24.565 105 H THR 90 H THR 90 12.077 14.216 21.056 106 HA THR 90 HA THR 90 13.099 16.773 22.261 107 HB THR 90 HB THR 90 13.943 17.341 20.057 108 HG1 THR 90 HG1 THR 90 13.790 15.958 18.381 109 HG21 THR 90 HG21 THR 90 15.731 15.708 19.807 110 HG22 THR 90 HG22 THR 90 15.404 15.911 21.540 111 HG23 THR 90 HG23 THR 90 14.791 14.476 20.679 112 H GLY 91 H GLY 91 10.456 15.294 20.531 113 HA2 GLY 91 HA2 GLY 91 8.298 16.243 20.271 114 HA3 GLY 91 HA3 GLY 91 8.974 17.872 20.392 115 H GLU 92 H GLU 92 11.051 16.227 18.362 116 HA GLU 92 HA GLU 92 10.298 17.615 16.008 117 HB2 GLU 92 HB2 GLU 92 12.247 15.453 16.755 118 HB3 GLU 92 HB3 GLU 92 11.841 15.583 15.052 119 HG2 GLU 92 HG2 GLU 92 12.513 17.706 14.784 120 HG3 GLU 92 HG3 GLU 92 12.527 18.093 16.523 121 H VAL 93 H VAL 93 9.503 17.062 14.070 122 HA VAL 93 HA VAL 93 8.382 14.365 13.570 123 HB VAL 93 HB VAL 93 7.201 17.034 12.771 124 HG11 VAL 93 HG11 VAL 93 6.616 15.243 11.156 125 HG12 VAL 93 HG12 VAL 93 6.084 14.199 12.497 126 HG13 VAL 93 HG13 VAL 93 5.196 15.682 12.104 127 HG21 VAL 93 HG21 VAL 93 6.913 16.773 15.132 128 HG22 VAL 93 HG22 VAL 93 5.347 16.540 14.339 129 HG23 VAL 93 HG23 VAL 93 6.254 15.123 14.924 130 H ILE 94 H ILE 94 8.695 13.625 11.507 131 HA ILE 94 HA ILE 94 9.757 15.356 9.372 132 HB ILE 94 HB ILE 94 11.493 13.695 8.753 133 HG12 ILE 94 HG12 ILE 94 10.931 12.434 11.466 134 HG13 ILE 94 HG13 ILE 94 10.561 11.725 9.894 135 HG21 ILE 94 HG21 ILE 94 11.999 14.828 11.526 136 HG22 ILE 94 HG22 ILE 94 13.184 14.479 10.253 137 HG23 ILE 94 HG23 ILE 94 12.006 15.771 10.025 138 HD11 ILE 94 HD11 ILE 94 12.564 10.725 10.823 139 HD12 ILE 94 HD12 ILE 94 12.945 11.613 9.339 140 HD13 ILE 94 HD13 ILE 94 13.357 12.292 10.941 141 H GLU 95 H GLU 95 9.732 14.268 7.322 142 HA GLU 95 HA GLU 95 7.889 11.949 6.982 143 HB2 GLU 95 HB2 GLU 95 7.707 14.678 5.654 144 HB3 GLU 95 HB3 GLU 95 6.997 13.232 4.931 145 HG2 GLU 95 HG2 GLU 95 5.475 12.924 6.743 146 HG3 GLU 95 HG3 GLU 95 6.280 14.142 7.734 147 H THR 96 H THR 96 8.459 10.568 5.415 148 HA THR 96 HA THR 96 10.304 11.286 3.220 149 HB THR 96 HB THR 96 11.942 10.683 4.806 150 HG1 THR 96 HG1 THR 96 12.807 8.861 3.855 151 HG21 THR 96 HG21 THR 96 10.667 9.578 6.573 152 HG22 THR 96 HG22 THR 96 10.295 8.211 5.488 153 HG23 THR 96 HG23 THR 96 11.962 8.508 6.023 154 H LYS 97 H LYS 97 10.428 9.561 1.583 155 HA LYS 97 HA LYS 97 7.925 7.917 1.396 156 HB2 LYS 97 HB2 LYS 97 10.075 8.631 -0.647 157 HB3 LYS 97 HB3 LYS 97 8.702 7.565 -0.972 158 HG2 LYS 97 HG2 LYS 97 7.120 9.371 -0.419 159 HG3 LYS 97 HG3 LYS 97 8.468 10.479 -0.115 160 HD2 LYS 97 HD2 LYS 97 9.233 10.187 -2.463 161 HD3 LYS 97 HD3 LYS 97 7.857 9.107 -2.774 162 HE2 LYS 97 HE2 LYS 97 6.289 10.950 -2.184 163 HE3 LYS 97 HE3 LYS 97 7.662 12.024 -1.873 164 HZ1 LYS 97 HZ1 LYS 97 7.036 10.791 -4.521 165 HZ2 LYS 97 HZ2 LYS 97 6.778 12.352 -4.120 166 HZ3 LYS 97 HZ3 LYS 97 8.300 11.786 -4.228 167 H GLY 98 H GLY 98 10.866 7.448 2.765 168 HA2 GLY 98 HA2 GLY 98 11.286 5.312 3.793 169 HA3 GLY 98 HA3 GLY 98 10.765 4.478 2.337 170 H GLY 99 H GLY 99 12.728 7.106 1.454 171 HA2 GLY 99 HA2 GLY 99 14.994 5.420 0.702 172 HA3 GLY 99 HA3 GLY 99 14.819 7.149 0.435 173 H ASN 100 H ASN 100 17.239 6.563 1.037 174 HA ASN 100 HA ASN 100 17.970 6.363 3.816 175 HB2 ASN 100 HB2 ASN 100 19.425 5.652 1.964 176 HB3 ASN 100 HB3 ASN 100 19.522 7.312 1.371 177 HD21 ASN 100 HD22 ASN 100 21.851 7.210 1.590 178 HD22 ASN 100 HD21 ASN 100 22.576 7.375 3.184 179 H HIS 101 H HIS 101 16.604 7.922 4.823 180 HA HIS 101 HA HIS 101 17.228 10.812 4.419 181 HB2 HIS 101 HB2 HIS 101 14.891 9.933 4.317 182 HB3 HIS 101 HB3 HIS 101 14.994 9.483 6.016 183 HD1 HIS 101 HD1 HIS 101 14.830 11.571 7.758 184 HD2 HIS 101 HD2 HIS 101 14.733 12.531 3.658 185 HE1 HIS 101 HE1 HIS 101 14.335 14.107 7.632 186 HE2 HIS 101 HE2 HIS 101 14.202 14.663 5.107 187 H LYS 102 H LYS 102 19.159 11.095 5.430 188 HA LYS 102 HA LYS 102 20.387 9.871 7.516 189 HB2 LYS 102 HB2 LYS 102 21.063 11.724 5.827 190 HB3 LYS 102 HB3 LYS 102 20.720 12.854 7.122 191 HG2 LYS 102 HG2 LYS 102 22.591 10.447 7.414 192 HG3 LYS 102 HG3 LYS 102 23.141 11.966 6.743 193 HD2 LYS 102 HD2 LYS 102 21.967 11.692 9.527 194 HD3 LYS 102 HD3 LYS 102 23.695 11.645 9.149 195 HE2 LYS 102 HE2 LYS 102 23.472 13.909 8.035 196 HE3 LYS 102 HE3 LYS 102 21.808 13.999 8.619 197 HZ1 LYS 102 HZ1 LYS 102 22.684 13.841 10.910 198 HZ2 LYS 102 HZ2 LYS 102 24.229 13.813 10.349 199 HZ3 LYS 102 HZ3 LYS 102 23.310 15.145 10.138 200 H THR 103 H THR 103 18.193 12.643 8.176 201 HA THR 103 HA THR 103 18.524 12.689 10.978 202 HB THR 103 HB THR 103 15.871 13.141 9.554 203 HG1 THR 103 HG1 THR 103 17.978 15.020 9.787 204 HG21 THR 103 HG21 THR 103 15.596 14.988 11.168 205 HG22 THR 103 HG22 THR 103 15.707 13.422 11.980 206 HG23 THR 103 HG23 THR 103 17.111 14.513 11.977 207 H LEU 104 H LEU 104 16.516 10.460 9.071 208 HA LEU 104 HA LEU 104 15.098 9.320 11.401 209 HB2 LEU 104 HB2 LEU 104 14.140 9.369 9.053 210 HB3 LEU 104 HB3 LEU 104 15.443 8.296 8.532 211 HG LEU 104 HG LEU 104 14.595 6.581 10.188 212 HD11 LEU 104 HD11 LEU 104 13.304 8.083 11.699 213 HD12 LEU 104 HD12 LEU 104 12.197 8.461 10.353 214 HD13 LEU 104 HD13 LEU 104 12.286 6.821 10.998 215 HD21 LEU 104 HD21 LEU 104 12.716 5.879 8.796 216 HD22 LEU 104 HD22 LEU 104 12.576 7.507 8.107 217 HD23 LEU 104 HD23 LEU 104 14.012 6.509 7.769 218 H LYS 105 H LYS 105 17.869 8.452 9.251 219 HA LYS 105 HA LYS 105 18.568 6.007 10.458 220 HB2 LYS 105 HB2 LYS 105 19.513 7.221 8.347 221 HB3 LYS 105 HB3 LYS 105 20.642 7.994 9.502 222 HG2 LYS 105 HG2 LYS 105 21.419 5.752 10.226 223 HG3 LYS 105 HG3 LYS 105 20.284 4.987 9.099 224 HD2 LYS 105 HD2 LYS 105 21.456 6.059 7.184 225 HD3 LYS 105 HD3 LYS 105 22.584 6.844 8.318 226 HE2 LYS 105 HE2 LYS 105 23.316 4.611 9.131 227 HE3 LYS 105 HE3 LYS 105 22.195 3.826 8.012 228 HZ1 LYS 105 HZ1 LYS 105 24.446 3.915 7.088 229 HZ2 LYS 105 HZ2 LYS 105 23.447 4.811 6.159 230 HZ3 LYS 105 HZ3 LYS 105 24.490 5.542 7.190 231 H GLU 106 H GLU 106 19.643 9.293 11.377 232 HA GLU 106 HA GLU 106 21.164 8.509 13.608 233 HB2 GLU 106 HB2 GLU 106 19.619 11.030 12.938 234 HB3 GLU 106 HB3 GLU 106 20.276 10.828 14.565 235 HG2 GLU 106 HG2 GLU 106 22.509 10.406 13.647 236 HG3 GLU 106 HG3 GLU 106 21.880 10.630 11.996 237 H TRP 107 H TRP 107 17.647 9.188 13.473 238 HA TRP 107 HA TRP 107 17.190 8.674 16.244 239 HB2 TRP 107 HB2 TRP 107 15.270 8.381 13.904 240 HB3 TRP 107 HB3 TRP 107 14.819 8.372 15.597 241 HD1 TRP 107 HD1 TRP 107 17.307 11.028 15.385 242 HE1 TRP 107 HE1 TRP 107 16.255 13.331 15.120 243 HE3 TRP 107 HE3 TRP 107 12.546 9.613 14.059 244 HZ2 TRP 107 HZ2 TRP 107 13.734 14.436 14.394 245 HZ3 TRP 107 HZ3 TRP 107 10.819 11.354 13.636 246 HH2 TRP 107 HH2 TRP 107 11.406 13.780 13.797 247 H LYS 108 H LYS 108 17.170 6.418 13.471 248 HA LYS 108 HA LYS 108 16.348 4.059 14.954 249 HB2 LYS 108 HB2 LYS 108 18.039 4.303 12.416 250 HB3 LYS 108 HB3 LYS 108 17.340 2.789 13.046 251 HG2 LYS 108 HG2 LYS 108 15.055 3.788 12.814 252 HG3 LYS 108 HG3 LYS 108 15.763 5.216 12.113 253 HD2 LYS 108 HD2 LYS 108 15.479 4.256 10.103 254 HD3 LYS 108 HD3 LYS 108 16.873 3.244 10.503 255 HE2 LYS 108 HE2 LYS 108 15.272 1.617 11.602 256 HE3 LYS 108 HE3 LYS 108 13.925 2.619 11.066 257 HZ1 LYS 108 HZ1 LYS 108 15.834 1.201 9.258 258 HZ2 LYS 108 HZ2 LYS 108 14.268 0.787 9.544 259 HZ3 LYS 108 HZ3 LYS 108 14.616 2.169 8.740 260 H ALA 109 H ALA 109 19.534 5.493 14.329 261 HA ALA 109 HA ALA 109 21.032 3.421 15.689 262 HB1 ALA 109 HB1 ALA 109 21.732 6.330 15.073 263 HB2 ALA 109 HB2 ALA 109 22.879 5.057 15.535 264 HB3 ALA 109 HB3 ALA 109 21.997 4.942 13.999 265 H LYS 110 H LYS 110 19.653 6.510 16.767 266 HA LYS 110 HA LYS 110 20.861 6.402 19.425 267 HB2 LYS 110 HB2 LYS 110 18.818 8.224 18.114 268 HB3 LYS 110 HB3 LYS 110 19.387 8.461 19.772 269 HG2 LYS 110 HG2 LYS 110 21.659 8.806 19.067 270 HG3 LYS 110 HG3 LYS 110 21.298 8.347 17.402 271 HD2 LYS 110 HD2 LYS 110 19.675 10.283 17.281 272 HD3 LYS 110 HD3 LYS 110 20.246 10.811 18.864 273 HE2 LYS 110 HE2 LYS 110 21.957 10.511 16.335 274 HE3 LYS 110 HE3 LYS 110 21.279 12.027 16.938 275 HZ1 LYS 110 HZ1 LYS 110 23.292 10.376 18.396 276 HZ2 LYS 110 HZ2 LYS 110 23.569 11.804 17.656 277 HZ3 LYS 110 HZ3 LYS 110 22.617 11.751 18.975 278 H TRP 111 H TRP 111 17.617 5.619 18.250 279 HA TRP 111 HA TRP 111 16.851 4.774 21.031 280 HB2 TRP 111 HB2 TRP 111 15.191 6.165 18.903 281 HB3 TRP 111 HB3 TRP 111 14.551 5.521 20.411 282 HD1 TRP 111 HD1 TRP 111 15.707 6.501 22.732 283 HE1 TRP 111 HE1 TRP 111 16.509 8.864 23.326 284 HE3 TRP 111 HE3 TRP 111 15.995 8.445 18.028 285 HZ2 TRP 111 HZ2 TRP 111 17.327 11.253 21.918 286 HZ3 TRP 111 HZ3 TRP 111 16.922 10.741 17.668 287 HH2 TRP 111 HH2 TRP 111 17.569 12.148 19.602 288 H GLY 112 H GLY 112 17.390 3.446 18.010 289 HA2 GLY 112 HA2 GLY 112 17.355 1.089 17.816 290 HA3 GLY 112 HA3 GLY 112 15.896 0.979 18.778 291 HA PRO 113 HA PRO 113 15.090 1.858 14.062 292 HB2 PRO 113 HB2 PRO 113 15.389 -0.657 12.828 293 HB3 PRO 113 HB3 PRO 113 16.577 0.676 12.797 294 HG2 PRO 113 HG2 PRO 113 16.522 -1.717 14.599 295 HG3 PRO 113 HG3 PRO 113 17.924 -0.902 13.793 296 HD2 PRO 113 HD2 PRO 113 17.336 -0.551 16.411 297 HD3 PRO 113 HD3 PRO 113 17.976 0.777 15.390 298 H GLU 114 H GLU 114 14.295 -1.103 15.932 299 HA GLU 114 HA GLU 114 11.755 -1.528 14.697 300 HB2 GLU 114 HB2 GLU 114 12.867 -2.350 17.408 301 HB3 GLU 114 HB3 GLU 114 11.314 -2.910 16.769 302 HG2 GLU 114 HG2 GLU 114 12.488 -3.878 14.790 303 HG3 GLU 114 HG3 GLU 114 14.040 -3.395 15.485 304 H ALA 115 H ALA 115 12.753 0.313 17.557 305 HA ALA 115 HA ALA 115 10.116 1.121 18.417 306 HB1 ALA 115 HB1 ALA 115 12.088 1.232 19.882 307 HB2 ALA 115 HB2 ALA 115 12.845 2.421 18.810 308 HB3 ALA 115 HB3 ALA 115 11.370 2.849 19.695 309 H VAL 116 H VAL 116 12.610 2.774 16.397 310 HA VAL 116 HA VAL 116 11.005 5.048 15.775 311 HB VAL 116 HB VAL 116 13.332 3.784 14.307 312 HG11 VAL 116 HG11 VAL 116 12.064 6.537 13.931 313 HG12 VAL 116 HG12 VAL 116 13.624 6.028 13.244 314 HG13 VAL 116 HG13 VAL 116 12.129 5.235 12.719 315 HG21 VAL 116 HG21 VAL 116 13.189 6.206 16.156 316 HG22 VAL 116 HG22 VAL 116 13.817 4.639 16.644 317 HG23 VAL 116 HG23 VAL 116 14.630 5.545 15.379 318 H GLU 117 H GLU 117 11.256 1.886 14.003 319 HA GLU 117 HA GLU 117 9.461 2.755 11.896 320 HB2 GLU 117 HB2 GLU 117 10.366 0.033 12.888 321 HB3 GLU 117 HB3 GLU 117 9.174 0.227 11.591 322 HG2 GLU 117 HG2 GLU 117 10.725 1.515 10.239 323 HG3 GLU 117 HG3 GLU 117 11.921 1.533 11.524 324 H SER 118 H SER 118 8.894 1.646 15.182 325 HA SER 118 HA SER 118 6.022 1.274 14.828 326 HB2 SER 118 HB2 SER 118 7.269 0.191 16.579 327 HB3 SER 118 HB3 SER 118 7.526 1.757 17.395 328 HG SER 118 HG SER 118 5.688 0.576 18.200 329 H TRP 119 H TRP 119 8.130 4.087 15.388 330 HA TRP 119 HA TRP 119 6.010 5.944 16.110 331 HB2 TRP 119 HB2 TRP 119 8.642 6.629 14.769 332 HB3 TRP 119 HB3 TRP 119 7.580 7.698 15.638 333 HD1 TRP 119 HD1 TRP 119 7.540 5.213 18.068 334 HE1 TRP 119 HE1 TRP 119 9.427 5.373 19.783 335 HE3 TRP 119 HE3 TRP 119 10.713 8.376 15.525 336 HZ2 TRP 119 HZ2 TRP 119 12.020 6.569 19.976 337 HZ3 TRP 119 HZ3 TRP 119 12.817 9.120 16.597 338 HH2 TRP 119 HH2 TRP 119 13.503 8.214 18.798 339 H ALA 120 H ALA 120 6.861 4.434 13.110 340 HA ALA 120 HA ALA 120 6.326 6.524 11.305 341 HB1 ALA 120 HB1 ALA 120 6.204 4.854 9.584 342 HB2 ALA 120 HB2 ALA 120 7.449 4.351 10.749 343 HB3 ALA 120 HB3 ALA 120 5.853 3.573 10.766 344 H THR 121 H THR 121 4.564 7.261 10.216 345 HA THR 121 HA THR 121 1.927 5.854 10.328 346 HB THR 121 HB THR 121 0.972 8.301 10.279 347 HG1 THR 121 HG1 THR 121 3.287 8.649 11.896 348 HG21 THR 121 HG21 THR 121 0.593 8.278 12.682 349 HG22 THR 121 HG22 THR 121 0.348 6.682 11.956 350 HG23 THR 121 HG23 THR 121 1.837 7.014 12.880 351 H LEU 122 H LEU 122 1.347 5.349 8.432 352 HA LEU 122 HA LEU 122 2.363 6.486 5.978 353 HB2 LEU 122 HB2 LEU 122 0.014 4.716 6.756 354 HB3 LEU 122 HB3 LEU 122 0.320 5.155 5.072 355 HG LEU 122 HG LEU 122 2.408 3.779 6.814 356 HD11 LEU 122 HD11 LEU 122 0.404 2.520 4.877 357 HD12 LEU 122 HD12 LEU 122 1.747 1.675 5.684 358 HD13 LEU 122 HD13 LEU 122 0.413 2.331 6.648 359 HD21 LEU 122 HD21 LEU 122 2.074 4.013 3.774 360 HD22 LEU 122 HD22 LEU 122 3.260 4.907 4.742 361 HD23 LEU 122 HD23 LEU 122 3.377 3.148 4.615 362 H LEU 123 H LEU 123 1.702 8.230 4.855 363 HA LEU 123 HA LEU 123 -0.712 9.703 5.795 364 HB2 LEU 123 HB2 LEU 123 1.565 10.682 4.037 365 HB3 LEU 123 HB3 LEU 123 0.225 11.642 4.656 366 HG LEU 123 HG LEU 123 2.560 10.491 6.226 367 HD11 LEU 123 HD11 LEU 123 2.893 12.611 5.004 368 HD12 LEU 123 HD12 LEU 123 1.479 13.312 5.809 369 HD13 LEU 123 HD13 LEU 123 2.914 12.885 6.751 370 HD21 LEU 123 HD21 LEU 123 0.606 10.191 7.679 371 HD22 LEU 123 HD22 LEU 123 1.517 11.588 8.234 372 HD23 LEU 123 HD23 LEU 123 0.026 11.831 7.300 373 H GLY 124 H GLY 124 -1.380 7.506 4.507 374 HA2 GLY 124 HA2 GLY 124 -3.111 8.280 2.422 375 HA3 GLY 124 HA3 GLY 124 -1.653 7.621 1.657 376 H HIS 125 H HIS 125 -3.614 6.240 0.931 377 HA HIS 125 HA HIS 125 -3.703 3.704 2.499 378 HB2 HIS 125 HB2 HIS 125 -6.148 4.941 1.238 379 HB3 HIS 125 HB3 HIS 125 -6.009 3.451 2.175 380 HD1 HIS 125 HD1 HIS 125 -5.186 3.940 4.891 381 HD2 HIS 125 HD2 HIS 125 -6.887 7.047 2.594 382 HE1 HIS 125 HE1 HIS 125 -5.998 5.723 6.570 383 HE2 HIS 125 HE2 HIS 125 -7.034 7.617 5.158 Start of MODEL 4 1 H ALA 79 H1 ALA 79 4.052 0.275 0.604 2 HA ALA 79 HA ALA 79 4.148 0.240 -2.350 3 HB1 ALA 79 HB1 ALA 79 1.820 0.202 -1.466 4 HB2 ALA 79 HB2 ALA 79 2.156 1.668 -0.516 5 HB3 ALA 79 HB3 ALA 79 2.177 1.721 -2.293 6 H ARG 80 H ARG 80 4.031 2.702 -3.112 7 HA ARG 80 HA ARG 80 6.559 3.903 -2.256 8 HB2 ARG 80 HB2 ARG 80 4.593 4.748 -4.386 9 HB3 ARG 80 HB3 ARG 80 6.212 5.417 -4.085 10 HG2 ARG 80 HG2 ARG 80 7.203 3.157 -4.366 11 HG3 ARG 80 HG3 ARG 80 5.633 2.527 -4.864 12 HD2 ARG 80 HD2 ARG 80 7.149 4.779 -6.257 13 HD3 ARG 80 HD3 ARG 80 7.145 3.081 -6.776 14 HE ARG 80 HE ARG 80 4.444 3.841 -6.635 15 HH11 ARG 80 HH11 ARG 80 7.207 4.774 -8.572 16 HH12 ARG 80 HH12 ARG 80 6.214 5.243 -9.927 17 HH21 ARG 80 HH21 ARG 80 3.237 4.470 -8.400 18 HH22 ARG 80 HH22 ARG 80 4.031 5.061 -9.829 19 H LYS 81 H LYS 81 3.587 4.267 -0.884 20 HA LYS 81 HA LYS 81 3.164 6.973 -0.427 21 HB2 LYS 81 HB2 LYS 81 2.615 4.450 1.150 22 HB3 LYS 81 HB3 LYS 81 2.309 5.990 1.931 23 HG2 LYS 81 HG2 LYS 81 1.118 5.293 -0.782 24 HG3 LYS 81 HG3 LYS 81 0.331 4.926 0.760 25 HD2 LYS 81 HD2 LYS 81 0.458 7.372 1.352 26 HD3 LYS 81 HD3 LYS 81 1.049 7.700 -0.288 27 HE2 LYS 81 HE2 LYS 81 -1.026 6.722 -1.237 28 HE3 LYS 81 HE3 LYS 81 -1.607 6.358 0.392 29 HZ1 LYS 81 HZ1 LYS 81 -1.559 8.783 0.865 30 HZ2 LYS 81 HZ2 LYS 81 -1.096 9.093 -0.682 31 HZ3 LYS 81 HZ3 LYS 81 -2.560 8.441 -0.393 32 H VAL 82 H VAL 82 3.445 8.329 1.300 33 HA VAL 82 HA VAL 82 6.196 8.548 2.332 34 HB VAL 82 HB VAL 82 3.702 10.251 2.728 35 HG11 VAL 82 HG11 VAL 82 5.184 10.699 4.627 36 HG12 VAL 82 HG12 VAL 82 6.586 10.854 3.538 37 HG13 VAL 82 HG13 VAL 82 5.272 12.040 3.495 38 HG21 VAL 82 HG21 VAL 82 4.595 10.263 0.390 39 HG22 VAL 82 HG22 VAL 82 4.795 11.827 1.181 40 HG23 VAL 82 HG23 VAL 82 6.190 10.742 1.020 41 H LYS 83 H LYS 83 6.882 8.151 4.343 42 HA LYS 83 HA LYS 83 4.949 7.371 6.509 43 HB2 LYS 83 HB2 LYS 83 7.887 6.702 6.027 44 HB3 LYS 83 HB3 LYS 83 7.150 6.621 7.635 45 HG2 LYS 83 HG2 LYS 83 5.474 5.013 6.833 46 HG3 LYS 83 HG3 LYS 83 6.228 5.020 5.221 47 HD2 LYS 83 HD2 LYS 83 8.295 4.114 6.107 48 HD3 LYS 83 HD3 LYS 83 7.753 4.330 7.777 49 HE2 LYS 83 HE2 LYS 83 5.985 2.686 7.504 50 HE3 LYS 83 HE3 LYS 83 6.375 2.483 5.787 51 HZ1 LYS 83 HZ1 LYS 83 7.392 0.735 7.191 52 HZ2 LYS 83 HZ2 LYS 83 8.547 1.594 6.423 53 HZ3 LYS 83 HZ3 LYS 83 8.279 1.847 8.016 54 H GLN 84 H GLN 84 4.564 8.894 7.893 55 HA GLN 84 HA GLN 84 6.447 11.141 8.417 56 HB2 GLN 84 HB2 GLN 84 3.989 11.562 8.129 57 HB3 GLN 84 HB3 GLN 84 3.653 10.494 9.486 58 HG2 GLN 84 HG2 GLN 84 4.940 12.038 10.984 59 HG3 GLN 84 HG3 GLN 84 5.259 13.094 9.607 60 HE21 GLN 84 HE22 GLN 84 3.340 14.258 8.601 61 HE22 GLN 84 HE21 GLN 84 1.913 14.457 9.610 62 H TYR 85 H TYR 85 7.450 11.305 10.430 63 HA TYR 85 HA TYR 85 7.089 9.111 12.438 64 HB2 TYR 85 HB2 TYR 85 9.768 10.170 11.453 65 HB3 TYR 85 HB3 TYR 85 9.549 9.120 12.821 66 HD1 TYR 85 HD1 TYR 85 9.223 9.280 9.091 67 HD2 TYR 85 HD2 TYR 85 9.570 6.780 12.586 68 HE1 TYR 85 HE1 TYR 85 9.766 7.321 7.649 69 HE2 TYR 85 HE2 TYR 85 10.122 4.829 11.151 70 HH TYR 85 HH TYR 85 10.618 4.122 9.013 71 H LYS 86 H LYS 86 7.524 9.790 14.576 72 HA LYS 86 HA LYS 86 8.095 12.682 15.057 73 HB2 LYS 86 HB2 LYS 86 5.661 12.288 15.180 74 HB3 LYS 86 HB3 LYS 86 5.919 10.988 16.360 75 HG2 LYS 86 HG2 LYS 86 6.770 12.584 18.009 76 HG3 LYS 86 HG3 LYS 86 6.671 13.902 16.830 77 HD2 LYS 86 HD2 LYS 86 4.209 13.604 16.701 78 HD3 LYS 86 HD3 LYS 86 4.309 12.281 17.882 79 HE2 LYS 86 HE2 LYS 86 5.282 13.862 19.551 80 HE3 LYS 86 HE3 LYS 86 5.183 15.176 18.371 81 HZ1 LYS 86 HZ1 LYS 86 2.835 13.682 19.454 82 HZ2 LYS 86 HZ2 LYS 86 3.271 15.196 19.877 83 HZ3 LYS 86 HZ3 LYS 86 2.746 14.897 18.364 84 H ASN 87 H ASN 87 9.330 13.102 16.862 85 HA ASN 87 HA ASN 87 10.451 10.712 18.314 86 HB2 ASN 87 HB2 ASN 87 11.971 11.727 16.686 87 HB3 ASN 87 HB3 ASN 87 11.923 13.255 17.575 88 HD21 ASN 87 HD22 ASN 87 14.360 12.102 17.200 89 HD22 ASN 87 HD21 ASN 87 14.903 11.349 18.697 90 HA PRO 88 HA PRO 88 8.299 12.903 21.752 91 HB2 PRO 88 HB2 PRO 88 9.298 10.283 22.907 92 HB3 PRO 88 HB3 PRO 88 7.788 11.180 23.283 93 HG2 PRO 88 HG2 PRO 88 7.730 9.086 21.564 94 HG3 PRO 88 HG3 PRO 88 6.834 10.592 21.166 95 HD2 PRO 88 HD2 PRO 88 9.481 9.643 20.094 96 HD3 PRO 88 HD3 PRO 88 8.135 10.477 19.254 97 H HIS 89 H HIS 89 11.642 11.707 21.573 98 HA HIS 89 HA HIS 89 12.539 12.739 24.111 99 HB2 HIS 89 HB2 HIS 89 14.179 12.214 21.589 100 HB3 HIS 89 HB3 HIS 89 14.799 12.384 23.226 101 HD1 HIS 89 HD1 HIS 89 13.234 9.832 20.939 102 HD2 HIS 89 HD2 HIS 89 14.128 10.378 25.034 103 HE1 HIS 89 HE1 HIS 89 13.024 7.493 22.066 104 HE2 HIS 89 HE2 HIS 89 13.570 7.856 24.557 105 H THR 90 H THR 90 12.152 14.296 20.973 106 HA THR 90 HA THR 90 13.154 16.888 22.110 107 HB THR 90 HB THR 90 13.951 17.435 19.881 108 HG1 THR 90 HG1 THR 90 13.795 16.013 18.237 109 HG21 THR 90 HG21 THR 90 15.760 15.835 19.623 110 HG22 THR 90 HG22 THR 90 15.469 16.049 21.364 111 HG23 THR 90 HG23 THR 90 14.865 14.596 20.530 112 H GLY 91 H GLY 91 10.476 15.327 20.546 113 HA2 GLY 91 HA2 GLY 91 8.325 16.210 20.241 114 HA3 GLY 91 HA3 GLY 91 8.945 17.859 20.372 115 H GLU 92 H GLU 92 11.038 16.241 18.295 116 HA GLU 92 HA GLU 92 10.233 17.652 15.962 117 HB2 GLU 92 HB2 GLU 92 12.221 15.504 16.652 118 HB3 GLU 92 HB3 GLU 92 11.802 15.675 14.956 119 HG2 GLU 92 HG2 GLU 92 12.431 17.800 14.733 120 HG3 GLU 92 HG3 GLU 92 12.476 18.146 16.480 121 H VAL 93 H VAL 93 9.457 17.068 14.007 122 HA VAL 93 HA VAL 93 8.368 14.350 13.530 123 HB VAL 93 HB VAL 93 7.157 16.996 12.713 124 HG11 VAL 93 HG11 VAL 93 6.597 15.173 11.116 125 HG12 VAL 93 HG12 VAL 93 6.060 14.151 12.472 126 HG13 VAL 93 HG13 VAL 93 5.171 15.627 12.049 127 HG21 VAL 93 HG21 VAL 93 6.871 16.760 15.075 128 HG22 VAL 93 HG22 VAL 93 5.311 16.504 14.278 129 HG23 VAL 93 HG23 VAL 93 6.233 15.102 14.884 130 H ILE 94 H ILE 94 8.708 13.593 11.476 131 HA ILE 94 HA ILE 94 9.833 15.296 9.344 132 HB ILE 94 HB ILE 94 11.567 13.605 8.812 133 HG12 ILE 94 HG12 ILE 94 10.862 12.365 11.500 134 HG13 ILE 94 HG13 ILE 94 10.585 11.654 9.913 135 HG21 ILE 94 HG21 ILE 94 12.067 15.684 10.058 136 HG22 ILE 94 HG22 ILE 94 11.970 14.776 11.587 137 HG23 ILE 94 HG23 ILE 94 13.212 14.378 10.379 138 HD11 ILE 94 HD11 ILE 94 12.511 10.620 10.906 139 HD12 ILE 94 HD12 ILE 94 13.025 11.584 9.509 140 HD13 ILE 94 HD13 ILE 94 13.298 12.180 11.173 141 H GLU 95 H GLU 95 9.843 14.211 7.304 142 HA GLU 95 HA GLU 95 8.036 11.873 6.941 143 HB2 GLU 95 HB2 GLU 95 7.722 14.632 5.699 144 HB3 GLU 95 HB3 GLU 95 7.049 13.175 4.940 145 HG2 GLU 95 HG2 GLU 95 5.705 12.690 6.883 146 HG3 GLU 95 HG3 GLU 95 6.417 14.042 7.784 147 H THR 96 H THR 96 8.652 10.496 5.418 148 HA THR 96 HA THR 96 10.384 11.274 3.154 149 HB THR 96 HB THR 96 12.106 10.819 4.703 150 HG1 THR 96 HG1 THR 96 13.069 9.071 3.739 151 HG21 THR 96 HG21 THR 96 12.311 8.689 5.968 152 HG22 THR 96 HG22 THR 96 10.934 9.654 6.516 153 HG23 THR 96 HG23 THR 96 10.661 8.240 5.465 154 H LYS 97 H LYS 97 10.532 9.576 1.520 155 HA LYS 97 HA LYS 97 8.162 7.757 1.411 156 HB2 LYS 97 HB2 LYS 97 10.312 8.467 -0.624 157 HB3 LYS 97 HB3 LYS 97 9.003 7.310 -0.914 158 HG2 LYS 97 HG2 LYS 97 7.323 9.072 -0.422 159 HG3 LYS 97 HG3 LYS 97 8.614 10.266 -0.259 160 HD2 LYS 97 HD2 LYS 97 7.992 8.657 -2.779 161 HD3 LYS 97 HD3 LYS 97 7.486 10.322 -2.471 162 HE2 LYS 97 HE2 LYS 97 9.893 11.007 -2.280 163 HE3 LYS 97 HE3 LYS 97 10.379 9.352 -2.676 164 HZ1 LYS 97 HZ1 LYS 97 8.801 11.142 -4.463 165 HZ2 LYS 97 HZ2 LYS 97 10.378 10.772 -4.650 166 HZ3 LYS 97 HZ3 LYS 97 9.248 9.612 -4.833 167 H GLY 98 H GLY 98 11.161 7.507 2.783 168 HA2 GLY 98 HA2 GLY 98 11.697 5.429 3.912 169 HA3 GLY 98 HA3 GLY 98 11.207 4.515 2.487 170 H GLY 99 H GLY 99 12.986 7.227 1.489 171 HA2 GLY 99 HA2 GLY 99 15.333 5.688 0.722 172 HA3 GLY 99 HA3 GLY 99 15.052 7.406 0.462 173 H ASN 100 H ASN 100 17.515 6.947 1.005 174 HA ASN 100 HA ASN 100 18.341 6.766 3.749 175 HB2 ASN 100 HB2 ASN 100 19.780 6.188 1.828 176 HB3 ASN 100 HB3 ASN 100 19.755 7.874 1.287 177 HD21 ASN 100 HD22 ASN 100 22.077 7.986 1.451 178 HD22 ASN 100 HD21 ASN 100 22.840 8.090 3.030 179 H HIS 101 H HIS 101 16.920 8.214 4.830 180 HA HIS 101 HA HIS 101 17.405 11.153 4.520 181 HB2 HIS 101 HB2 HIS 101 15.107 10.197 4.263 182 HB3 HIS 101 HB3 HIS 101 15.146 9.670 5.939 183 HD1 HIS 101 HD1 HIS 101 14.771 11.643 7.766 184 HD2 HIS 101 HD2 HIS 101 14.878 12.823 3.727 185 HE1 HIS 101 HE1 HIS 101 14.197 14.169 7.740 186 HE2 HIS 101 HE2 HIS 101 14.190 14.848 5.244 187 H LYS 102 H LYS 102 19.285 11.449 5.632 188 HA LYS 102 HA LYS 102 20.451 10.166 7.688 189 HB2 LYS 102 HB2 LYS 102 21.443 11.986 6.357 190 HB3 LYS 102 HB3 LYS 102 20.466 13.174 7.203 191 HG2 LYS 102 HG2 LYS 102 22.717 13.249 8.024 192 HG3 LYS 102 HG3 LYS 102 21.670 12.677 9.317 193 HD2 LYS 102 HD2 LYS 102 22.449 10.357 8.958 194 HD3 LYS 102 HD3 LYS 102 23.408 10.891 7.552 195 HE2 LYS 102 HE2 LYS 102 24.687 12.435 9.066 196 HE3 LYS 102 HE3 LYS 102 23.774 11.812 10.447 197 HZ1 LYS 102 HZ1 LYS 102 25.925 10.693 10.209 198 HZ2 LYS 102 HZ2 LYS 102 24.733 9.599 9.995 199 HZ3 LYS 102 HZ3 LYS 102 25.561 10.180 8.704 200 H THR 103 H THR 103 18.168 12.851 8.407 201 HA THR 103 HA THR 103 18.379 12.761 11.203 202 HB THR 103 HB THR 103 15.849 13.348 9.616 203 HG1 THR 103 HG1 THR 103 16.722 15.489 9.564 204 HG21 THR 103 HG21 THR 103 15.394 15.009 11.368 205 HG22 THR 103 HG22 THR 103 15.463 13.380 12.046 206 HG23 THR 103 HG23 THR 103 16.844 14.486 12.261 207 H LEU 104 H LEU 104 16.415 10.625 9.137 208 HA LEU 104 HA LEU 104 14.993 9.343 11.393 209 HB2 LEU 104 HB2 LEU 104 13.970 9.395 9.122 210 HB3 LEU 104 HB3 LEU 104 15.385 8.587 8.444 211 HG LEU 104 HG LEU 104 14.902 6.583 9.821 212 HD11 LEU 104 HD11 LEU 104 12.298 7.991 10.517 213 HD12 LEU 104 HD12 LEU 104 12.717 6.292 10.860 214 HD13 LEU 104 HD13 LEU 104 13.602 7.597 11.658 215 HD21 LEU 104 HD21 LEU 104 12.566 7.442 8.091 216 HD22 LEU 104 HD22 LEU 104 14.100 6.765 7.487 217 HD23 LEU 104 HD23 LEU 104 13.037 5.782 8.508 218 H LYS 105 H LYS 105 17.800 8.620 9.228 219 HA LYS 105 HA LYS 105 18.493 6.132 10.333 220 HB2 LYS 105 HB2 LYS 105 19.417 7.435 8.277 221 HB3 LYS 105 HB3 LYS 105 20.586 8.124 9.446 222 HG2 LYS 105 HG2 LYS 105 21.343 5.840 10.021 223 HG3 LYS 105 HG3 LYS 105 20.127 5.148 8.929 224 HD2 LYS 105 HD2 LYS 105 21.229 6.266 7.001 225 HD3 LYS 105 HD3 LYS 105 22.460 6.932 8.099 226 HE2 LYS 105 HE2 LYS 105 23.129 4.629 8.755 227 HE3 LYS 105 HE3 LYS 105 21.894 3.954 7.685 228 HZ1 LYS 105 HZ1 LYS 105 24.219 5.593 6.777 229 HZ2 LYS 105 HZ2 LYS 105 24.090 3.973 6.623 230 HZ3 LYS 105 HZ3 LYS 105 23.082 4.950 5.790 231 H GLU 106 H GLU 106 19.559 9.376 11.368 232 HA GLU 106 HA GLU 106 21.109 8.542 13.559 233 HB2 GLU 106 HB2 GLU 106 19.536 11.058 12.951 234 HB3 GLU 106 HB3 GLU 106 20.216 10.837 14.567 235 HG2 GLU 106 HG2 GLU 106 22.445 10.501 13.642 236 HG3 GLU 106 HG3 GLU 106 21.803 10.690 11.990 237 H TRP 107 H TRP 107 17.590 9.263 13.506 238 HA TRP 107 HA TRP 107 17.159 8.666 16.254 239 HB2 TRP 107 HB2 TRP 107 15.235 8.415 13.916 240 HB3 TRP 107 HB3 TRP 107 14.780 8.356 15.606 241 HD1 TRP 107 HD1 TRP 107 17.253 11.030 15.459 242 HE1 TRP 107 HE1 TRP 107 16.194 13.341 15.215 243 HE3 TRP 107 HE3 TRP 107 12.493 9.630 14.123 244 HZ2 TRP 107 HZ2 TRP 107 13.685 14.450 14.485 245 HZ3 TRP 107 HZ3 TRP 107 10.769 11.374 13.710 246 HH2 TRP 107 HH2 TRP 107 11.359 13.799 13.877 247 H LYS 108 H LYS 108 17.050 6.487 13.429 248 HA LYS 108 HA LYS 108 16.240 4.095 14.880 249 HB2 LYS 108 HB2 LYS 108 17.746 4.444 12.233 250 HB3 LYS 108 HB3 LYS 108 17.112 2.896 12.855 251 HG2 LYS 108 HG2 LYS 108 14.809 3.886 12.902 252 HG3 LYS 108 HG3 LYS 108 15.437 5.380 12.276 253 HD2 LYS 108 HD2 LYS 108 14.511 4.516 10.415 254 HD3 LYS 108 HD3 LYS 108 16.170 3.957 10.190 255 HE2 LYS 108 HE2 LYS 108 15.528 1.719 10.874 256 HE3 LYS 108 HE3 LYS 108 13.973 2.310 11.518 257 HZ1 LYS 108 HZ1 LYS 108 14.607 2.468 8.617 258 HZ2 LYS 108 HZ2 LYS 108 13.859 1.181 9.276 259 HZ3 LYS 108 HZ3 LYS 108 13.128 2.631 9.355 260 H ALA 109 H ALA 109 19.421 5.473 14.131 261 HA ALA 109 HA ALA 109 20.923 3.324 15.348 262 HB1 ALA 109 HB1 ALA 109 21.663 6.236 14.815 263 HB2 ALA 109 HB2 ALA 109 22.803 4.920 15.189 264 HB3 ALA 109 HB3 ALA 109 21.860 4.876 13.688 265 H LYS 110 H LYS 110 19.674 6.408 16.599 266 HA LYS 110 HA LYS 110 20.999 6.194 19.186 267 HB2 LYS 110 HB2 LYS 110 18.912 8.084 18.054 268 HB3 LYS 110 HB3 LYS 110 19.541 8.238 19.697 269 HG2 LYS 110 HG2 LYS 110 21.805 8.575 18.907 270 HG3 LYS 110 HG3 LYS 110 21.347 8.228 17.240 271 HD2 LYS 110 HD2 LYS 110 19.812 10.235 17.288 272 HD3 LYS 110 HD3 LYS 110 20.424 10.593 18.919 273 HE2 LYS 110 HE2 LYS 110 22.763 10.632 17.947 274 HE3 LYS 110 HE3 LYS 110 22.061 10.455 16.329 275 HZ1 LYS 110 HZ1 LYS 110 22.474 12.781 16.810 276 HZ2 LYS 110 HZ2 LYS 110 20.870 12.581 16.720 277 HZ3 LYS 110 HZ3 LYS 110 21.593 12.745 18.187 278 H TRP 111 H TRP 111 17.688 5.478 18.153 279 HA TRP 111 HA TRP 111 17.066 4.518 20.932 280 HB2 TRP 111 HB2 TRP 111 15.304 6.020 18.967 281 HB3 TRP 111 HB3 TRP 111 14.758 5.341 20.498 282 HD1 TRP 111 HD1 TRP 111 16.171 6.237 22.747 283 HE1 TRP 111 HE1 TRP 111 17.007 8.593 23.325 284 HE3 TRP 111 HE3 TRP 111 15.982 8.326 18.090 285 HZ2 TRP 111 HZ2 TRP 111 17.665 11.027 21.921 286 HZ3 TRP 111 HZ3 TRP 111 16.818 10.653 17.721 287 HH2 TRP 111 HH2 TRP 111 17.645 12.007 19.628 288 H GLY 112 H GLY 112 17.502 3.278 17.892 289 HA2 GLY 112 HA2 GLY 112 17.408 0.964 17.558 290 HA3 GLY 112 HA3 GLY 112 16.014 0.804 18.614 291 HA PRO 113 HA PRO 113 14.918 1.954 13.999 292 HB2 PRO 113 HB2 PRO 113 15.119 -0.466 12.592 293 HB3 PRO 113 HB3 PRO 113 16.319 0.852 12.586 294 HG2 PRO 113 HG2 PRO 113 16.330 -1.648 14.251 295 HG3 PRO 113 HG3 PRO 113 17.694 -0.818 13.390 296 HD2 PRO 113 HD2 PRO 113 17.314 -0.576 16.054 297 HD3 PRO 113 HD3 PRO 113 17.872 0.800 15.055 298 H GLU 114 H GLU 114 14.232 -1.073 15.799 299 HA GLU 114 HA GLU 114 11.659 -1.514 14.645 300 HB2 GLU 114 HB2 GLU 114 12.870 -2.369 17.302 301 HB3 GLU 114 HB3 GLU 114 11.296 -2.933 16.704 302 HG2 GLU 114 HG2 GLU 114 12.402 -3.855 14.670 303 HG3 GLU 114 HG3 GLU 114 13.975 -3.376 15.313 304 H ALA 115 H ALA 115 12.710 0.259 17.529 305 HA ALA 115 HA ALA 115 10.084 1.018 18.474 306 HB1 ALA 115 HB1 ALA 115 12.077 1.110 19.911 307 HB2 ALA 115 HB2 ALA 115 12.825 2.317 18.842 308 HB3 ALA 115 HB3 ALA 115 11.365 2.735 19.752 309 H VAL 116 H VAL 116 12.516 2.695 16.436 310 HA VAL 116 HA VAL 116 10.935 5.022 15.946 311 HB VAL 116 HB VAL 116 13.229 3.808 14.401 312 HG11 VAL 116 HG11 VAL 116 13.558 6.129 13.489 313 HG12 VAL 116 HG12 VAL 116 12.083 5.361 12.899 314 HG13 VAL 116 HG13 VAL 116 11.990 6.588 14.179 315 HG21 VAL 116 HG21 VAL 116 14.559 5.520 15.566 316 HG22 VAL 116 HG22 VAL 116 13.122 6.088 16.413 317 HG23 VAL 116 HG23 VAL 116 13.776 4.493 16.760 318 H GLU 117 H GLU 117 11.035 1.904 14.096 319 HA GLU 117 HA GLU 117 9.224 2.936 12.062 320 HB2 GLU 117 HB2 GLU 117 9.925 0.108 12.936 321 HB3 GLU 117 HB3 GLU 117 8.745 0.458 11.679 322 HG2 GLU 117 HG2 GLU 117 11.693 1.218 11.623 323 HG3 GLU 117 HG3 GLU 117 10.923 -0.056 10.690 324 H SER 118 H SER 118 8.712 1.625 15.343 325 HA SER 118 HA SER 118 5.809 1.493 15.063 326 HB2 SER 118 HB2 SER 118 7.423 1.780 17.599 327 HB3 SER 118 HB3 SER 118 5.681 1.491 17.448 328 HG SER 118 HG SER 118 6.830 -0.478 17.743 329 H TRP 119 H TRP 119 8.088 4.159 15.579 330 HA TRP 119 HA TRP 119 6.020 6.094 16.304 331 HB2 TRP 119 HB2 TRP 119 8.675 6.702 14.975 332 HB3 TRP 119 HB3 TRP 119 7.643 7.787 15.858 333 HD1 TRP 119 HD1 TRP 119 7.551 5.261 18.252 334 HE1 TRP 119 HE1 TRP 119 9.445 5.342 19.962 335 HE3 TRP 119 HE3 TRP 119 10.806 8.395 15.756 336 HZ2 TRP 119 HZ2 TRP 119 12.069 6.450 20.170 337 HZ3 TRP 119 HZ3 TRP 119 12.922 9.066 16.843 338 HH2 TRP 119 HH2 TRP 119 13.597 8.085 19.021 339 H ALA 120 H ALA 120 6.804 4.499 13.320 340 HA ALA 120 HA ALA 120 6.334 6.680 11.547 341 HB1 ALA 120 HB1 ALA 120 7.607 4.538 11.036 342 HB2 ALA 120 HB2 ALA 120 6.029 3.753 10.827 343 HB3 ALA 120 HB3 ALA 120 6.493 5.106 9.781 344 H THR 121 H THR 121 4.594 7.288 10.342 345 HA THR 121 HA THR 121 2.057 5.712 10.304 346 HB THR 121 HB THR 121 0.963 8.098 10.202 347 HG1 THR 121 HG1 THR 121 1.954 9.572 11.617 348 HG21 THR 121 HG21 THR 121 0.457 6.406 11.937 349 HG22 THR 121 HG22 THR 121 1.870 6.954 12.874 350 HG23 THR 121 HG23 THR 121 0.488 8.044 12.604 351 H LEU 122 H LEU 122 1.546 5.183 8.400 352 HA LEU 122 HA LEU 122 2.663 6.405 5.996 353 HB2 LEU 122 HB2 LEU 122 0.615 4.268 6.658 354 HB3 LEU 122 HB3 LEU 122 0.899 4.747 4.980 355 HG LEU 122 HG LEU 122 3.148 3.785 6.798 356 HD11 LEU 122 HD11 LEU 122 2.905 1.591 5.691 357 HD12 LEU 122 HD12 LEU 122 1.457 2.005 6.629 358 HD13 LEU 122 HD13 LEU 122 1.443 2.158 4.857 359 HD21 LEU 122 HD21 LEU 122 2.845 3.909 3.752 360 HD22 LEU 122 HD22 LEU 122 3.823 5.025 4.716 361 HD23 LEU 122 HD23 LEU 122 4.269 3.314 4.630 362 H LEU 123 H LEU 123 1.851 8.063 4.835 363 HA LEU 123 HA LEU 123 -0.540 9.452 5.755 364 HB2 LEU 123 HB2 LEU 123 1.308 10.038 3.410 365 HB3 LEU 123 HB3 LEU 123 0.045 11.102 4.025 366 HG LEU 123 HG LEU 123 2.631 10.319 5.428 367 HD11 LEU 123 HD11 LEU 123 1.470 13.024 4.650 368 HD12 LEU 123 HD12 LEU 123 3.079 12.694 5.330 369 HD13 LEU 123 HD13 LEU 123 2.672 12.138 3.698 370 HD21 LEU 123 HD21 LEU 123 0.239 11.851 6.535 371 HD22 LEU 123 HD22 LEU 123 0.973 10.371 7.201 372 HD23 LEU 123 HD23 LEU 123 1.859 11.897 7.247 373 H GLY 124 H GLY 124 -1.791 7.427 5.336 374 HA2 GLY 124 HA2 GLY 124 -3.478 7.824 2.910 375 HA3 GLY 124 HA3 GLY 124 -2.813 6.209 3.227 376 H HIS 125 H HIS 125 -3.926 8.569 5.626 377 HA HIS 125 HA HIS 125 -6.240 6.906 6.494 378 HB2 HIS 125 HB2 HIS 125 -4.015 7.768 8.343 379 HB3 HIS 125 HB3 HIS 125 -5.527 6.939 8.735 380 HD1 HIS 125 HD1 HIS 125 -1.999 6.145 7.640 381 HD2 HIS 125 HD2 HIS 125 -5.831 4.361 7.784 382 HE1 HIS 125 HE1 HIS 125 -1.641 3.595 7.363 383 HE2 HIS 125 HE2 HIS 125 -3.980 2.524 7.438 Start of MODEL 5 1 H ALA 79 H1 ALA 79 2.164 0.595 -0.375 2 HA ALA 79 HA ALA 79 3.220 0.742 -3.129 3 HB1 ALA 79 HB1 ALA 79 1.655 2.626 -3.495 4 HB2 ALA 79 HB2 ALA 79 0.769 1.154 -3.086 5 HB3 ALA 79 HB3 ALA 79 0.988 2.422 -1.864 6 H ARG 80 H ARG 80 4.014 3.068 -3.589 7 HA ARG 80 HA ARG 80 6.140 3.700 -1.681 8 HB2 ARG 80 HB2 ARG 80 5.459 4.909 -4.363 9 HB3 ARG 80 HB3 ARG 80 6.903 5.225 -3.370 10 HG2 ARG 80 HG2 ARG 80 7.476 2.829 -3.401 11 HG3 ARG 80 HG3 ARG 80 6.120 2.509 -4.495 12 HD2 ARG 80 HD2 ARG 80 7.103 4.034 -6.171 13 HD3 ARG 80 HD3 ARG 80 8.470 4.363 -5.086 14 HE ARG 80 HE ARG 80 8.316 1.557 -5.409 15 HH11 ARG 80 HH11 ARG 80 9.034 4.301 -7.470 16 HH12 ARG 80 HH12 ARG 80 10.046 3.361 -8.532 17 HH21 ARG 80 HH21 ARG 80 9.630 0.412 -6.795 18 HH22 ARG 80 HH22 ARG 80 10.368 1.208 -8.156 19 H LYS 81 H LYS 81 3.667 4.240 -0.468 20 HA LYS 81 HA LYS 81 2.966 7.080 -0.409 21 HB2 LYS 81 HB2 LYS 81 2.410 4.671 1.386 22 HB3 LYS 81 HB3 LYS 81 1.886 6.304 1.831 23 HG2 LYS 81 HG2 LYS 81 0.530 6.505 -0.174 24 HG3 LYS 81 HG3 LYS 81 1.113 4.936 -0.776 25 HD2 LYS 81 HD2 LYS 81 0.134 3.845 1.267 26 HD3 LYS 81 HD3 LYS 81 -0.554 5.401 1.749 27 HE2 LYS 81 HE2 LYS 81 -1.161 3.933 -0.869 28 HE3 LYS 81 HE3 LYS 81 -2.139 3.819 0.595 29 HZ1 LYS 81 HZ1 LYS 81 -1.685 6.330 -0.953 30 HZ2 LYS 81 HZ2 LYS 81 -3.066 5.466 -0.909 31 HZ3 LYS 81 HZ3 LYS 81 -2.557 6.228 0.438 32 H VAL 82 H VAL 82 3.244 8.505 1.261 33 HA VAL 82 HA VAL 82 5.954 8.703 2.361 34 HB VAL 82 HB VAL 82 3.447 10.380 2.762 35 HG11 VAL 82 HG11 VAL 82 4.847 10.811 4.697 36 HG12 VAL 82 HG12 VAL 82 6.307 10.951 3.670 37 HG13 VAL 82 HG13 VAL 82 5.019 12.168 3.584 38 HG21 VAL 82 HG21 VAL 82 4.383 10.410 0.443 39 HG22 VAL 82 HG22 VAL 82 4.543 11.976 1.249 40 HG23 VAL 82 HG23 VAL 82 5.958 10.909 1.112 41 H LYS 83 H LYS 83 6.635 8.364 4.406 42 HA LYS 83 HA LYS 83 4.679 7.539 6.530 43 HB2 LYS 83 HB2 LYS 83 7.562 6.708 6.026 44 HB3 LYS 83 HB3 LYS 83 6.799 6.573 7.627 45 HG2 LYS 83 HG2 LYS 83 5.039 5.144 6.739 46 HG3 LYS 83 HG3 LYS 83 5.734 5.238 5.109 47 HD2 LYS 83 HD2 LYS 83 7.733 4.080 5.798 48 HD3 LYS 83 HD3 LYS 83 7.314 4.212 7.516 49 HE2 LYS 83 HE2 LYS 83 5.378 2.755 7.228 50 HE3 LYS 83 HE3 LYS 83 5.659 2.662 5.477 51 HZ1 LYS 83 HZ1 LYS 83 6.550 0.704 6.631 52 HZ2 LYS 83 HZ2 LYS 83 7.773 1.521 5.930 53 HZ3 LYS 83 HZ3 LYS 83 7.538 1.620 7.551 54 H GLN 84 H GLN 84 4.389 9.027 7.983 55 HA GLN 84 HA GLN 84 6.365 11.189 8.510 56 HB2 GLN 84 HB2 GLN 84 3.933 11.719 8.277 57 HB3 GLN 84 HB3 GLN 84 3.568 10.657 9.628 58 HG2 GLN 84 HG2 GLN 84 4.923 12.127 11.127 59 HG3 GLN 84 HG3 GLN 84 5.298 13.176 9.754 60 HE21 GLN 84 HE22 GLN 84 3.480 14.494 8.795 61 HE22 GLN 84 HE21 GLN 84 2.048 14.733 9.789 62 H TYR 85 H TYR 85 7.392 11.335 10.493 63 HA TYR 85 HA TYR 85 7.051 9.147 12.507 64 HB2 TYR 85 HB2 TYR 85 9.683 10.229 11.419 65 HB3 TYR 85 HB3 TYR 85 9.532 9.192 12.817 66 HD1 TYR 85 HD1 TYR 85 9.089 9.313 9.100 67 HD2 TYR 85 HD2 TYR 85 9.472 6.833 12.609 68 HE1 TYR 85 HE1 TYR 85 9.481 7.329 7.659 69 HE2 TYR 85 HE2 TYR 85 9.895 4.856 11.170 70 HH TYR 85 HH TYR 85 9.984 5.067 7.594 71 H LYS 86 H LYS 86 7.382 9.836 14.619 72 HA LYS 86 HA LYS 86 8.081 12.704 15.126 73 HB2 LYS 86 HB2 LYS 86 5.629 12.382 15.271 74 HB3 LYS 86 HB3 LYS 86 5.864 11.088 16.462 75 HG2 LYS 86 HG2 LYS 86 6.808 12.671 18.069 76 HG3 LYS 86 HG3 LYS 86 6.762 13.977 16.869 77 HD2 LYS 86 HD2 LYS 86 4.285 13.801 16.773 78 HD3 LYS 86 HD3 LYS 86 4.336 12.489 17.976 79 HE2 LYS 86 HE2 LYS 86 5.394 14.047 19.609 80 HE3 LYS 86 HE3 LYS 86 5.345 15.347 18.407 81 HZ1 LYS 86 HZ1 LYS 86 3.445 15.476 19.932 82 HZ2 LYS 86 HZ2 LYS 86 2.905 15.181 18.422 83 HZ3 LYS 86 HZ3 LYS 86 2.943 13.978 19.531 84 H ASN 87 H ASN 87 9.473 13.040 16.757 85 HA ASN 87 HA ASN 87 10.433 10.649 18.300 86 HB2 ASN 87 HB2 ASN 87 12.030 11.617 16.701 87 HB3 ASN 87 HB3 ASN 87 12.015 13.134 17.603 88 HD21 ASN 87 HD22 ASN 87 14.414 11.860 17.289 89 HD22 ASN 87 HD21 ASN 87 14.892 11.096 18.800 90 HA PRO 88 HA PRO 88 8.271 13.301 21.369 91 HB2 PRO 88 HB2 PRO 88 7.854 11.353 23.304 92 HB3 PRO 88 HB3 PRO 88 6.808 11.636 21.879 93 HG2 PRO 88 HG2 PRO 88 9.050 9.610 22.169 94 HG3 PRO 88 HG3 PRO 88 7.386 9.345 21.551 95 HD2 PRO 88 HD2 PRO 88 9.439 9.708 19.867 96 HD3 PRO 88 HD3 PRO 88 7.860 10.479 19.520 97 H HIS 89 H HIS 89 11.285 11.617 21.643 98 HA HIS 89 HA HIS 89 12.099 12.590 24.248 99 HB2 HIS 89 HB2 HIS 89 13.879 11.775 21.910 100 HB3 HIS 89 HB3 HIS 89 14.308 11.821 23.614 101 HD1 HIS 89 HD1 HIS 89 12.740 9.567 21.048 102 HD2 HIS 89 HD2 HIS 89 12.982 9.969 25.253 103 HE1 HIS 89 HE1 HIS 89 11.898 7.320 22.074 104 HE2 HIS 89 HE2 HIS 89 12.082 7.584 24.624 105 H THR 90 H THR 90 12.073 14.060 21.056 106 HA THR 90 HA THR 90 13.444 16.512 22.122 107 HB THR 90 HB THR 90 14.295 16.867 19.874 108 HG1 THR 90 HG1 THR 90 13.881 15.385 18.271 109 HG21 THR 90 HG21 THR 90 15.602 15.307 21.377 110 HG22 THR 90 HG22 THR 90 14.777 13.943 20.581 111 HG23 THR 90 HG23 THR 90 15.835 15.018 19.637 112 H GLY 91 H GLY 91 10.619 15.288 20.461 113 HA2 GLY 91 HA2 GLY 91 8.562 16.456 20.282 114 HA3 GLY 91 HA3 GLY 91 9.404 18.005 20.344 115 H GLU 92 H GLU 92 11.260 16.235 18.244 116 HA GLU 92 HA GLU 92 10.398 17.664 15.940 117 HB2 GLU 92 HB2 GLU 92 12.444 15.563 16.582 118 HB3 GLU 92 HB3 GLU 92 11.948 15.688 14.892 119 HG2 GLU 92 HG2 GLU 92 12.448 17.881 14.660 120 HG3 GLU 92 HG3 GLU 92 12.717 18.146 16.411 121 H VAL 93 H VAL 93 9.536 17.097 14.016 122 HA VAL 93 HA VAL 93 8.428 14.381 13.565 123 HB VAL 93 HB VAL 93 7.219 17.036 12.755 124 HG11 VAL 93 HG11 VAL 93 6.619 15.212 11.178 125 HG12 VAL 93 HG12 VAL 93 6.098 14.202 12.543 126 HG13 VAL 93 HG13 VAL 93 5.213 15.686 12.133 127 HG21 VAL 93 HG21 VAL 93 6.980 16.803 15.133 128 HG22 VAL 93 HG22 VAL 93 5.405 16.577 14.358 129 HG23 VAL 93 HG23 VAL 93 6.304 15.159 14.950 130 H ILE 94 H ILE 94 8.730 13.615 11.509 131 HA ILE 94 HA ILE 94 9.795 15.319 9.349 132 HB ILE 94 HB ILE 94 11.533 13.648 8.766 133 HG12 ILE 94 HG12 ILE 94 10.953 12.435 11.491 134 HG13 ILE 94 HG13 ILE 94 10.601 11.697 9.933 135 HG21 ILE 94 HG21 ILE 94 13.213 14.459 10.279 136 HG22 ILE 94 HG22 ILE 94 12.039 15.745 9.998 137 HG23 ILE 94 HG23 ILE 94 12.010 14.835 11.528 138 HD11 ILE 94 HD11 ILE 94 13.390 12.281 11.001 139 HD12 ILE 94 HD12 ILE 94 12.589 10.709 10.894 140 HD13 ILE 94 HD13 ILE 94 12.987 11.578 9.404 141 H GLU 95 H GLU 95 9.761 14.238 7.315 142 HA GLU 95 HA GLU 95 7.945 11.900 6.990 143 HB2 GLU 95 HB2 GLU 95 7.622 14.668 5.784 144 HB3 GLU 95 HB3 GLU 95 6.968 13.235 4.983 145 HG2 GLU 95 HG2 GLU 95 5.557 12.702 6.850 146 HG3 GLU 95 HG3 GLU 95 6.321 13.937 7.859 147 H THR 96 H THR 96 8.503 10.530 5.433 148 HA THR 96 HA THR 96 10.228 11.286 3.164 149 HB THR 96 HB THR 96 11.957 10.785 4.707 150 HG1 THR 96 HG1 THR 96 12.883 9.037 3.704 151 HG21 THR 96 HG21 THR 96 10.801 9.638 6.522 152 HG22 THR 96 HG22 THR 96 10.448 8.249 5.464 153 HG23 THR 96 HG23 THR 96 12.121 8.623 5.933 154 H LYS 97 H LYS 97 10.335 9.576 1.525 155 HA LYS 97 HA LYS 97 7.917 7.807 1.464 156 HB2 LYS 97 HB2 LYS 97 9.956 8.591 -0.659 157 HB3 LYS 97 HB3 LYS 97 8.635 7.442 -0.916 158 HG2 LYS 97 HG2 LYS 97 6.964 9.171 -0.370 159 HG3 LYS 97 HG3 LYS 97 8.254 10.336 -0.052 160 HD2 LYS 97 HD2 LYS 97 7.365 10.799 -2.213 161 HD3 LYS 97 HD3 LYS 97 8.999 10.151 -2.426 162 HE2 LYS 97 HE2 LYS 97 8.047 7.929 -3.003 163 HE3 LYS 97 HE3 LYS 97 6.415 8.539 -2.713 164 HZ1 LYS 97 HZ1 LYS 97 6.739 10.113 -4.554 165 HZ2 LYS 97 HZ2 LYS 97 8.254 9.556 -4.833 166 HZ3 LYS 97 HZ3 LYS 97 6.965 8.593 -5.091 167 H GLY 98 H GLY 98 10.957 7.490 2.704 168 HA2 GLY 98 HA2 GLY 98 11.430 5.368 3.777 169 HA3 GLY 98 HA3 GLY 98 10.945 4.510 2.319 170 H GLY 99 H GLY 99 12.828 7.228 1.473 171 HA2 GLY 99 HA2 GLY 99 15.112 5.630 0.650 172 HA3 GLY 99 HA3 GLY 99 14.912 7.369 0.474 173 H ASN 100 H ASN 100 17.341 6.759 0.988 174 HA ASN 100 HA ASN 100 18.170 6.480 3.729 175 HB2 ASN 100 HB2 ASN 100 19.569 5.863 1.791 176 HB3 ASN 100 HB3 ASN 100 19.622 7.551 1.275 177 HD21 ASN 100 HD22 ASN 100 21.983 7.320 1.396 178 HD22 ASN 100 HD21 ASN 100 22.759 7.464 2.965 179 H HIS 101 H HIS 101 16.843 7.964 4.862 180 HA HIS 101 HA HIS 101 17.351 10.885 4.499 181 HB2 HIS 101 HB2 HIS 101 15.043 9.933 4.333 182 HB3 HIS 101 HB3 HIS 101 15.127 9.467 6.030 183 HD1 HIS 101 HD1 HIS 101 14.803 11.509 7.785 184 HD2 HIS 101 HD2 HIS 101 14.869 12.548 3.703 185 HE1 HIS 101 HE1 HIS 101 14.255 14.036 7.678 186 HE2 HIS 101 HE2 HIS 101 14.225 14.635 5.167 187 H LYS 102 H LYS 102 19.264 11.180 5.536 188 HA LYS 102 HA LYS 102 20.535 10.075 7.614 189 HB2 LYS 102 HB2 LYS 102 21.441 11.814 6.209 190 HB3 LYS 102 HB3 LYS 102 20.327 13.014 6.840 191 HG2 LYS 102 HG2 LYS 102 22.613 13.356 7.580 192 HG3 LYS 102 HG3 LYS 102 21.507 13.139 8.937 193 HD2 LYS 102 HD2 LYS 102 22.397 11.014 9.492 194 HD3 LYS 102 HD3 LYS 102 23.092 10.779 7.885 195 HE2 LYS 102 HE2 LYS 102 24.799 11.217 9.640 196 HE3 LYS 102 HE3 LYS 102 24.860 12.325 8.270 197 HZ1 LYS 102 HZ1 LYS 102 23.545 13.016 10.867 198 HZ2 LYS 102 HZ2 LYS 102 25.078 13.436 10.472 199 HZ3 LYS 102 HZ3 LYS 102 23.836 14.035 9.614 200 H THR 103 H THR 103 18.214 12.729 8.323 201 HA THR 103 HA THR 103 18.484 12.672 11.126 202 HB THR 103 HB THR 103 15.950 13.279 9.544 203 HG1 THR 103 HG1 THR 103 16.824 15.405 9.481 204 HG21 THR 103 HG21 THR 103 15.534 13.304 11.976 205 HG22 THR 103 HG22 THR 103 16.916 14.402 12.204 206 HG23 THR 103 HG23 THR 103 15.481 14.933 11.291 207 H LEU 104 H LEU 104 16.506 10.519 9.107 208 HA LEU 104 HA LEU 104 15.072 9.315 11.387 209 HB2 LEU 104 HB2 LEU 104 14.128 9.391 9.029 210 HB3 LEU 104 HB3 LEU 104 15.448 8.343 8.503 211 HG LEU 104 HG LEU 104 14.597 6.589 10.125 212 HD11 LEU 104 HD11 LEU 104 12.282 6.799 10.919 213 HD12 LEU 104 HD12 LEU 104 13.288 8.044 11.660 214 HD13 LEU 104 HD13 LEU 104 12.190 8.459 10.318 215 HD21 LEU 104 HD21 LEU 104 14.032 6.557 7.707 216 HD22 LEU 104 HD22 LEU 104 12.738 5.888 8.721 217 HD23 LEU 104 HD23 LEU 104 12.579 7.528 8.058 218 H LYS 105 H LYS 105 17.856 8.479 9.238 219 HA LYS 105 HA LYS 105 18.530 6.020 10.423 220 HB2 LYS 105 HB2 LYS 105 19.498 7.284 8.333 221 HB3 LYS 105 HB3 LYS 105 20.659 7.960 9.510 222 HG2 LYS 105 HG2 LYS 105 21.305 5.620 10.141 223 HG3 LYS 105 HG3 LYS 105 20.114 5.001 8.994 224 HD2 LYS 105 HD2 LYS 105 22.215 4.814 7.927 225 HD3 LYS 105 HD3 LYS 105 21.386 6.159 7.132 226 HE2 LYS 105 HE2 LYS 105 22.713 7.777 8.462 227 HE3 LYS 105 HE3 LYS 105 23.463 6.452 9.361 228 HZ1 LYS 105 HZ1 LYS 105 24.477 5.686 7.274 229 HZ2 LYS 105 HZ2 LYS 105 23.780 6.900 6.427 230 HZ3 LYS 105 HZ3 LYS 105 24.912 7.229 7.561 231 H GLU 106 H GLU 106 19.634 9.281 11.375 232 HA GLU 106 HA GLU 106 21.160 8.475 13.594 233 HB2 GLU 106 HB2 GLU 106 19.660 11.000 12.865 234 HB3 GLU 106 HB3 GLU 106 20.256 10.819 14.516 235 HG2 GLU 106 HG2 GLU 106 22.514 10.287 13.648 236 HG3 GLU 106 HG3 GLU 106 21.909 10.565 11.992 237 H TRP 107 H TRP 107 17.648 9.123 13.459 238 HA TRP 107 HA TRP 107 17.218 8.615 16.249 239 HB2 TRP 107 HB2 TRP 107 15.282 8.382 13.921 240 HB3 TRP 107 HB3 TRP 107 14.839 8.316 15.614 241 HD1 TRP 107 HD1 TRP 107 17.310 10.943 15.570 242 HE1 TRP 107 HE1 TRP 107 16.294 13.276 15.340 243 HE3 TRP 107 HE3 TRP 107 12.580 9.636 14.037 244 HZ2 TRP 107 HZ2 TRP 107 13.824 14.429 14.539 245 HZ3 TRP 107 HZ3 TRP 107 10.891 11.409 13.627 246 HH2 TRP 107 HH2 TRP 107 11.510 13.823 13.845 247 H LYS 108 H LYS 108 17.163 6.399 13.437 248 HA LYS 108 HA LYS 108 16.353 4.030 14.911 249 HB2 LYS 108 HB2 LYS 108 18.040 4.286 12.370 250 HB3 LYS 108 HB3 LYS 108 17.335 2.769 12.996 251 HG2 LYS 108 HG2 LYS 108 15.053 3.782 12.769 252 HG3 LYS 108 HG3 LYS 108 15.769 5.215 12.072 253 HD2 LYS 108 HD2 LYS 108 15.466 4.260 10.065 254 HD3 LYS 108 HD3 LYS 108 16.861 3.234 10.447 255 HE2 LYS 108 HE2 LYS 108 15.265 1.610 11.550 256 HE3 LYS 108 HE3 LYS 108 13.917 2.630 11.032 257 HZ1 LYS 108 HZ1 LYS 108 14.223 0.808 9.500 258 HZ2 LYS 108 HZ2 LYS 108 14.589 2.189 8.699 259 HZ3 LYS 108 HZ3 LYS 108 15.792 1.194 9.200 260 H ALA 109 H ALA 109 19.525 5.484 14.294 261 HA ALA 109 HA ALA 109 21.067 3.429 15.607 262 HB1 ALA 109 HB1 ALA 109 21.976 5.018 13.949 263 HB2 ALA 109 HB2 ALA 109 21.705 6.365 15.078 264 HB3 ALA 109 HB3 ALA 109 22.878 5.089 15.478 265 H LYS 110 H LYS 110 19.593 6.440 16.770 266 HA LYS 110 HA LYS 110 20.819 6.117 19.449 267 HB2 LYS 110 HB2 LYS 110 19.369 8.418 18.113 268 HB3 LYS 110 HB3 LYS 110 19.853 8.433 19.813 269 HG2 LYS 110 HG2 LYS 110 22.190 7.959 19.205 270 HG3 LYS 110 HG3 LYS 110 21.789 7.960 17.490 271 HD2 LYS 110 HD2 LYS 110 21.295 10.385 19.263 272 HD3 LYS 110 HD3 LYS 110 22.876 10.047 18.545 273 HE2 LYS 110 HE2 LYS 110 21.833 10.013 16.266 274 HE3 LYS 110 HE3 LYS 110 20.283 10.471 16.996 275 HZ1 LYS 110 HZ1 LYS 110 21.671 12.384 16.099 276 HZ2 LYS 110 HZ2 LYS 110 21.261 12.568 17.686 277 HZ3 LYS 110 HZ3 LYS 110 22.770 12.099 17.264 278 H TRP 111 H TRP 111 17.624 5.545 18.211 279 HA TRP 111 HA TRP 111 16.798 4.820 21.007 280 HB2 TRP 111 HB2 TRP 111 15.153 6.181 18.849 281 HB3 TRP 111 HB3 TRP 111 14.461 5.455 20.289 282 HD1 TRP 111 HD1 TRP 111 15.140 6.483 22.691 283 HE1 TRP 111 HE1 TRP 111 15.836 8.843 23.410 284 HE3 TRP 111 HE3 TRP 111 16.330 8.378 18.123 285 HZ2 TRP 111 HZ2 TRP 111 16.858 11.247 22.153 286 HZ3 TRP 111 HZ3 TRP 111 17.253 10.702 17.901 287 HH2 TRP 111 HH2 TRP 111 17.490 12.138 19.913 288 H GLY 112 H GLY 112 17.362 3.508 17.956 289 HA2 GLY 112 HA2 GLY 112 17.405 1.155 17.741 290 HA3 GLY 112 HA3 GLY 112 15.959 0.984 18.726 291 HA PRO 113 HA PRO 113 15.087 1.856 14.018 292 HB2 PRO 113 HB2 PRO 113 15.365 -0.664 12.799 293 HB3 PRO 113 HB3 PRO 113 16.562 0.658 12.760 294 HG2 PRO 113 HG2 PRO 113 16.498 -1.732 14.565 295 HG3 PRO 113 HG3 PRO 113 17.903 -0.920 13.760 296 HD2 PRO 113 HD2 PRO 113 17.315 -0.563 16.379 297 HD3 PRO 113 HD3 PRO 113 17.973 0.756 15.354 298 H GLU 114 H GLU 114 14.282 -1.103 15.893 299 HA GLU 114 HA GLU 114 11.727 -1.507 14.675 300 HB2 GLU 114 HB2 GLU 114 12.850 -2.336 17.381 301 HB3 GLU 114 HB3 GLU 114 11.294 -2.892 16.743 302 HG2 GLU 114 HG2 GLU 114 12.455 -3.872 14.766 303 HG3 GLU 114 HG3 GLU 114 14.009 -3.374 15.444 304 H ALA 115 H ALA 115 12.763 0.329 17.520 305 HA ALA 115 HA ALA 115 10.133 1.144 18.417 306 HB1 ALA 115 HB1 ALA 115 12.142 1.247 19.849 307 HB2 ALA 115 HB2 ALA 115 12.869 2.453 18.767 308 HB3 ALA 115 HB3 ALA 115 11.403 2.857 19.680 309 H VAL 116 H VAL 116 12.604 2.780 16.352 310 HA VAL 116 HA VAL 116 11.005 5.063 15.748 311 HB VAL 116 HB VAL 116 13.303 3.789 14.246 312 HG11 VAL 116 HG11 VAL 116 12.057 6.555 13.905 313 HG12 VAL 116 HG12 VAL 116 13.607 6.033 13.197 314 HG13 VAL 116 HG13 VAL 116 12.100 5.262 12.685 315 HG21 VAL 116 HG21 VAL 116 13.818 4.628 16.584 316 HG22 VAL 116 HG22 VAL 116 14.632 5.530 15.311 317 HG23 VAL 116 HG23 VAL 116 13.208 6.208 16.103 318 H GLU 117 H GLU 117 11.235 1.909 13.975 319 HA GLU 117 HA GLU 117 9.416 2.773 11.883 320 HB2 GLU 117 HB2 GLU 117 10.353 0.060 12.870 321 HB3 GLU 117 HB3 GLU 117 9.143 0.242 11.585 322 HG2 GLU 117 HG2 GLU 117 10.665 1.556 10.224 323 HG3 GLU 117 HG3 GLU 117 11.884 1.569 11.492 324 H SER 118 H SER 118 8.891 1.661 15.182 325 HA SER 118 HA SER 118 6.019 1.288 14.855 326 HB2 SER 118 HB2 SER 118 7.333 0.196 16.574 327 HB3 SER 118 HB3 SER 118 7.532 1.745 17.424 328 HG SER 118 HG SER 118 5.264 1.815 17.690 329 H TRP 119 H TRP 119 8.126 4.104 15.393 330 HA TRP 119 HA TRP 119 5.998 5.948 16.141 331 HB2 TRP 119 HB2 TRP 119 8.608 6.649 14.775 332 HB3 TRP 119 HB3 TRP 119 7.547 7.713 15.654 333 HD1 TRP 119 HD1 TRP 119 7.555 5.229 18.099 334 HE1 TRP 119 HE1 TRP 119 9.476 5.393 19.780 335 HE3 TRP 119 HE3 TRP 119 10.684 8.385 15.486 336 HZ2 TRP 119 HZ2 TRP 119 12.089 6.582 19.912 337 HZ3 TRP 119 HZ3 TRP 119 12.813 9.122 16.511 338 HH2 TRP 119 HH2 TRP 119 13.540 8.219 18.700 339 H ALA 120 H ALA 120 6.867 4.454 13.127 340 HA ALA 120 HA ALA 120 6.296 6.521 11.318 341 HB1 ALA 120 HB1 ALA 120 5.864 3.552 10.815 342 HB2 ALA 120 HB2 ALA 120 6.187 4.815 9.613 343 HB3 ALA 120 HB3 ALA 120 7.451 4.353 10.775 344 H THR 121 H THR 121 4.538 7.227 10.222 345 HA THR 121 HA THR 121 1.933 5.762 10.291 346 HB THR 121 HB THR 121 0.928 8.194 10.205 347 HG1 THR 121 HG1 THR 121 3.181 8.588 11.891 348 HG21 THR 121 HG21 THR 121 0.289 6.532 11.849 349 HG22 THR 121 HG22 THR 121 1.736 6.899 12.826 350 HG23 THR 121 HG23 THR 121 0.458 8.126 12.598 351 H LEU 122 H LEU 122 1.384 5.244 8.396 352 HA LEU 122 HA LEU 122 2.392 6.387 5.941 353 HB2 LEU 122 HB2 LEU 122 0.057 4.593 6.702 354 HB3 LEU 122 HB3 LEU 122 0.393 5.025 5.022 355 HG LEU 122 HG LEU 122 2.457 3.667 6.812 356 HD11 LEU 122 HD11 LEU 122 0.484 2.207 6.625 357 HD12 LEU 122 HD12 LEU 122 0.495 2.392 4.854 358 HD13 LEU 122 HD13 LEU 122 1.833 1.556 5.680 359 HD21 LEU 122 HD21 LEU 122 2.173 3.873 3.771 360 HD22 LEU 122 HD22 LEU 122 3.331 4.795 4.743 361 HD23 LEU 122 HD23 LEU 122 3.474 3.035 4.633 362 H LEU 123 H LEU 123 1.664 8.072 4.760 363 HA LEU 123 HA LEU 123 -0.785 9.527 5.676 364 HB2 LEU 123 HB2 LEU 123 1.444 10.493 3.842 365 HB3 LEU 123 HB3 LEU 123 0.126 11.444 4.507 366 HG LEU 123 HG LEU 123 2.529 10.322 6.005 367 HD11 LEU 123 HD11 LEU 123 2.940 12.694 6.453 368 HD12 LEU 123 HD12 LEU 123 2.801 12.423 4.706 369 HD13 LEU 123 HD13 LEU 123 1.452 13.144 5.604 370 HD21 LEU 123 HD21 LEU 123 1.553 11.456 8.025 371 HD22 LEU 123 HD22 LEU 123 0.044 11.710 7.134 372 HD23 LEU 123 HD23 LEU 123 0.597 10.062 7.518 373 H GLY 124 H GLY 124 -2.030 10.634 3.887 374 HA2 GLY 124 HA2 GLY 124 -1.954 9.824 1.162 375 HA3 GLY 124 HA3 GLY 124 -3.135 8.821 2.007 376 H HIS 125 H HIS 125 -4.250 10.170 0.113 377 HA HIS 125 HA HIS 125 -5.990 12.130 1.420 378 HB2 HIS 125 HB2 HIS 125 -5.711 13.837 -0.358 379 HB3 HIS 125 HB3 HIS 125 -4.313 13.662 0.692 380 HD1 HIS 125 HD1 HIS 125 -4.888 11.394 -2.361 381 HD2 HIS 125 HD2 HIS 125 -2.504 14.595 -0.998 382 HE1 HIS 125 HE1 HIS 125 -3.022 11.735 -4.151 383 HE2 HIS 125 HE2 HIS 125 -1.573 13.689 -3.286 Start of MODEL 6 1 H ALA 79 H1 ALA 79 1.833 0.917 -0.619 2 HA ALA 79 HA ALA 79 2.751 1.281 -3.405 3 HB1 ALA 79 HB1 ALA 79 0.596 2.844 -1.886 4 HB2 ALA 79 HB2 ALA 79 1.178 3.189 -3.528 5 HB3 ALA 79 HB3 ALA 79 0.306 1.687 -3.201 6 H ARG 80 H ARG 80 3.533 3.615 -3.731 7 HA ARG 80 HA ARG 80 5.786 4.100 -1.948 8 HB2 ARG 80 HB2 ARG 80 4.915 5.502 -4.452 9 HB3 ARG 80 HB3 ARG 80 6.413 5.774 -3.532 10 HG2 ARG 80 HG2 ARG 80 6.993 3.351 -3.754 11 HG3 ARG 80 HG3 ARG 80 5.580 3.139 -4.797 12 HD2 ARG 80 HD2 ARG 80 7.419 3.398 -6.244 13 HD3 ARG 80 HD3 ARG 80 6.500 4.918 -6.301 14 HE ARG 80 HE ARG 80 8.624 5.045 -4.345 15 HH11 ARG 80 HH11 ARG 80 8.193 5.199 -7.819 16 HH12 ARG 80 HH12 ARG 80 9.637 6.146 -8.054 17 HH21 ARG 80 HH21 ARG 80 10.455 6.269 -4.711 18 HH22 ARG 80 HH22 ARG 80 10.877 6.734 -6.334 19 H LYS 81 H LYS 81 3.338 4.563 -0.537 20 HA LYS 81 HA LYS 81 2.685 7.388 -0.268 21 HB2 LYS 81 HB2 LYS 81 2.120 4.879 1.379 22 HB3 LYS 81 HB3 LYS 81 1.647 6.490 1.950 23 HG2 LYS 81 HG2 LYS 81 0.303 6.866 -0.066 24 HG3 LYS 81 HG3 LYS 81 0.782 5.283 -0.714 25 HD2 LYS 81 HD2 LYS 81 -0.314 4.152 1.199 26 HD3 LYS 81 HD3 LYS 81 -0.760 5.730 1.885 27 HE2 LYS 81 HE2 LYS 81 -2.092 6.243 -0.151 28 HE3 LYS 81 HE3 LYS 81 -1.641 4.684 -0.848 29 HZ1 LYS 81 HZ1 LYS 81 -2.816 3.594 1.011 30 HZ2 LYS 81 HZ2 LYS 81 -3.233 5.040 1.651 31 HZ3 LYS 81 HZ3 LYS 81 -3.836 4.581 0.209 32 H VAL 82 H VAL 82 3.030 8.716 1.468 33 HA VAL 82 HA VAL 82 5.801 8.822 2.413 34 HB VAL 82 HB VAL 82 3.376 10.580 2.942 35 HG11 VAL 82 HG11 VAL 82 4.840 10.912 4.853 36 HG12 VAL 82 HG12 VAL 82 6.272 11.020 3.790 37 HG13 VAL 82 HG13 VAL 82 5.028 12.284 3.763 38 HG21 VAL 82 HG21 VAL 82 4.270 10.618 0.603 39 HG22 VAL 82 HG22 VAL 82 4.506 12.160 1.435 40 HG23 VAL 82 HG23 VAL 82 5.872 11.040 1.248 41 H LYS 83 H LYS 83 6.594 8.262 4.345 42 HA LYS 83 HA LYS 83 4.760 7.470 6.581 43 HB2 LYS 83 HB2 LYS 83 7.628 6.690 5.929 44 HB3 LYS 83 HB3 LYS 83 6.942 6.533 7.559 45 HG2 LYS 83 HG2 LYS 83 5.134 5.115 6.727 46 HG3 LYS 83 HG3 LYS 83 5.795 5.198 5.080 47 HD2 LYS 83 HD2 LYS 83 7.805 4.028 5.737 48 HD3 LYS 83 HD3 LYS 83 7.399 4.165 7.463 49 HE2 LYS 83 HE2 LYS 83 5.434 2.726 7.167 50 HE3 LYS 83 HE3 LYS 83 5.731 2.635 5.421 51 HZ1 LYS 83 HZ1 LYS 83 6.605 0.664 6.564 52 HZ2 LYS 83 HZ2 LYS 83 7.843 1.490 5.895 53 HZ3 LYS 83 HZ3 LYS 83 7.575 1.568 7.511 54 H GLN 84 H GLN 84 4.416 9.005 7.919 55 HA GLN 84 HA GLN 84 6.323 11.212 8.493 56 HB2 GLN 84 HB2 GLN 84 3.992 11.802 8.289 57 HB3 GLN 84 HB3 GLN 84 3.496 10.460 9.306 58 HG2 GLN 84 HG2 GLN 84 4.608 11.586 11.272 59 HG3 GLN 84 HG3 GLN 84 4.986 12.958 10.219 60 HE21 GLN 84 HE22 GLN 84 2.173 10.873 11.210 61 HE22 GLN 84 HE21 GLN 84 1.046 12.231 11.317 62 H TYR 85 H TYR 85 7.370 11.350 10.472 63 HA TYR 85 HA TYR 85 7.038 9.153 12.481 64 HB2 TYR 85 HB2 TYR 85 9.676 10.246 11.425 65 HB3 TYR 85 HB3 TYR 85 9.515 9.217 12.826 66 HD1 TYR 85 HD2 TYR 85 9.079 9.311 9.106 67 HD2 TYR 85 HD1 TYR 85 9.527 6.865 12.627 68 HE1 TYR 85 HE2 TYR 85 9.488 7.324 7.674 69 HE2 TYR 85 HE1 TYR 85 9.983 4.892 11.198 70 HH TYR 85 HH TYR 85 10.024 5.059 7.620 71 H LYS 86 H LYS 86 7.428 9.822 14.614 72 HA LYS 86 HA LYS 86 8.056 12.690 15.130 73 HB2 LYS 86 HB2 LYS 86 5.606 12.360 15.253 74 HB3 LYS 86 HB3 LYS 86 5.837 11.051 16.436 75 HG2 LYS 86 HG2 LYS 86 6.756 12.635 18.072 76 HG3 LYS 86 HG3 LYS 86 6.679 13.949 16.887 77 HD2 LYS 86 HD2 LYS 86 4.204 13.700 16.778 78 HD3 LYS 86 HD3 LYS 86 4.291 12.399 17.988 79 HE2 LYS 86 HE2 LYS 86 5.310 13.991 19.612 80 HE3 LYS 86 HE3 LYS 86 5.237 15.280 18.406 81 HZ1 LYS 86 HZ1 LYS 86 2.797 15.063 18.412 82 HZ2 LYS 86 HZ2 LYS 86 2.862 13.874 19.534 83 HZ3 LYS 86 HZ3 LYS 86 3.329 15.389 19.921 84 H ASN 87 H ASN 87 9.367 13.056 16.814 85 HA ASN 87 HA ASN 87 10.437 10.685 18.313 86 HB2 ASN 87 HB2 ASN 87 11.952 11.652 16.651 87 HB3 ASN 87 HB3 ASN 87 11.913 13.200 17.500 88 HD21 ASN 87 HD22 ASN 87 14.349 12.241 17.233 89 HD22 ASN 87 HD21 ASN 87 14.910 11.434 18.693 90 HA PRO 88 HA PRO 88 8.363 13.324 21.458 91 HB2 PRO 88 HB2 PRO 88 7.990 11.330 23.366 92 HB3 PRO 88 HB3 PRO 88 6.890 11.702 22.010 93 HG2 PRO 88 HG2 PRO 88 9.059 9.589 22.132 94 HG3 PRO 88 HG3 PRO 88 7.367 9.413 21.562 95 HD2 PRO 88 HD2 PRO 88 9.392 9.750 19.834 96 HD3 PRO 88 HD3 PRO 88 7.831 10.591 19.553 97 H HIS 89 H HIS 89 11.407 11.674 21.614 98 HA HIS 89 HA HIS 89 12.300 12.606 24.195 99 HB2 HIS 89 HB2 HIS 89 13.971 12.055 21.702 100 HB3 HIS 89 HB3 HIS 89 14.549 12.153 23.360 101 HD1 HIS 89 HD1 HIS 89 13.049 9.723 20.942 102 HD2 HIS 89 HD2 HIS 89 13.606 10.164 25.105 103 HE1 HIS 89 HE1 HIS 89 12.647 7.378 22.008 104 HE2 HIS 89 HE2 HIS 89 13.000 7.673 24.541 105 H THR 90 H THR 90 12.113 14.209 21.043 106 HA THR 90 HA THR 90 13.154 16.756 22.254 107 HB THR 90 HB THR 90 13.992 17.325 20.045 108 HG1 THR 90 HG1 THR 90 13.827 15.942 18.367 109 HG21 THR 90 HG21 THR 90 15.772 15.682 19.787 110 HG22 THR 90 HG22 THR 90 15.457 15.893 21.523 111 HG23 THR 90 HG23 THR 90 14.830 14.460 20.668 112 H GLY 91 H GLY 91 10.486 15.295 20.554 113 HA2 GLY 91 HA2 GLY 91 8.336 16.272 20.300 114 HA3 GLY 91 HA3 GLY 91 9.036 17.887 20.402 115 H GLU 92 H GLU 92 11.090 16.225 18.371 116 HA GLU 92 HA GLU 92 10.328 17.624 16.026 117 HB2 GLU 92 HB2 GLU 92 12.270 15.450 16.750 118 HB3 GLU 92 HB3 GLU 92 11.860 15.590 15.047 119 HG2 GLU 92 HG2 GLU 92 12.542 17.708 14.787 120 HG3 GLU 92 HG3 GLU 92 12.563 18.087 16.528 121 H VAL 93 H VAL 93 9.521 17.076 14.082 122 HA VAL 93 HA VAL 93 8.358 14.390 13.594 123 HB VAL 93 HB VAL 93 7.200 17.072 12.812 124 HG11 VAL 93 HG11 VAL 93 6.555 15.267 11.222 125 HG12 VAL 93 HG12 VAL 93 6.026 14.254 12.587 126 HG13 VAL 93 HG13 VAL 93 5.162 15.750 12.192 127 HG21 VAL 93 HG21 VAL 93 6.252 15.190 14.982 128 HG22 VAL 93 HG22 VAL 93 6.947 16.820 15.187 129 HG23 VAL 93 HG23 VAL 93 5.369 16.631 14.410 130 H ILE 94 H ILE 94 8.658 13.644 11.526 131 HA ILE 94 HA ILE 94 9.742 15.358 9.386 132 HB ILE 94 HB ILE 94 11.466 13.678 8.784 133 HG12 ILE 94 HG12 ILE 94 10.872 12.439 11.499 134 HG13 ILE 94 HG13 ILE 94 10.507 11.725 9.931 135 HG21 ILE 94 HG21 ILE 94 11.997 15.754 10.038 136 HG22 ILE 94 HG22 ILE 94 11.966 14.823 11.553 137 HG23 ILE 94 HG23 ILE 94 13.160 14.450 10.284 138 HD11 ILE 94 HD11 ILE 94 12.889 11.573 9.391 139 HD12 ILE 94 HD12 ILE 94 13.311 12.272 10.987 140 HD13 ILE 94 HD13 ILE 94 12.492 10.715 10.892 141 H GLU 95 H GLU 95 9.740 14.250 7.340 142 HA GLU 95 HA GLU 95 7.841 11.978 6.975 143 HB2 GLU 95 HB2 GLU 95 7.723 14.739 5.689 144 HB3 GLU 95 HB3 GLU 95 6.965 13.325 4.958 145 HG2 GLU 95 HG2 GLU 95 5.449 13.037 6.789 146 HG3 GLU 95 HG3 GLU 95 6.300 14.225 7.775 147 H THR 96 H THR 96 8.427 10.580 5.437 148 HA THR 96 HA THR 96 10.226 11.313 3.206 149 HB THR 96 HB THR 96 11.896 10.723 4.768 150 HG1 THR 96 HG1 THR 96 12.733 8.876 3.807 151 HG21 THR 96 HG21 THR 96 10.271 8.245 5.486 152 HG22 THR 96 HG22 THR 96 11.940 8.561 6.007 153 HG23 THR 96 HG23 THR 96 10.643 9.620 6.557 154 H LYS 97 H LYS 97 10.261 9.657 1.523 155 HA LYS 97 HA LYS 97 7.785 7.980 1.421 156 HB2 LYS 97 HB2 LYS 97 9.854 8.722 -0.690 157 HB3 LYS 97 HB3 LYS 97 8.487 7.627 -0.969 158 HG2 LYS 97 HG2 LYS 97 6.899 9.414 -0.336 159 HG3 LYS 97 HG3 LYS 97 8.251 10.541 -0.108 160 HD2 LYS 97 HD2 LYS 97 8.894 10.254 -2.497 161 HD3 LYS 97 HD3 LYS 97 7.516 9.145 -2.726 162 HE2 LYS 97 HE2 LYS 97 5.946 10.958 -2.075 163 HE3 LYS 97 HE3 LYS 97 7.309 12.058 -1.820 164 HZ1 LYS 97 HZ1 LYS 97 6.325 12.388 -4.019 165 HZ2 LYS 97 HZ2 LYS 97 7.852 11.839 -4.199 166 HZ3 LYS 97 HZ3 LYS 97 6.581 10.834 -4.436 167 H GLY 98 H GLY 98 10.831 7.511 2.626 168 HA2 GLY 98 HA2 GLY 98 11.155 5.328 3.670 169 HA3 GLY 98 HA3 GLY 98 10.683 4.540 2.168 170 H GLY 99 H GLY 99 12.687 7.144 1.360 171 HA2 GLY 99 HA2 GLY 99 14.932 5.442 0.643 172 HA3 GLY 99 HA3 GLY 99 14.806 7.184 0.430 173 H ASN 100 H ASN 100 17.200 6.490 1.045 174 HA ASN 100 HA ASN 100 17.892 6.213 3.823 175 HB2 ASN 100 HB2 ASN 100 19.352 5.491 1.980 176 HB3 ASN 100 HB3 ASN 100 19.496 7.159 1.412 177 HD21 ASN 100 HD22 ASN 100 21.827 6.983 1.655 178 HD22 ASN 100 HD21 ASN 100 22.540 7.097 3.255 179 H HIS 101 H HIS 101 16.580 7.783 4.856 180 HA HIS 101 HA HIS 101 17.194 10.664 4.453 181 HB2 HIS 101 HB2 HIS 101 14.856 9.751 4.437 182 HB3 HIS 101 HB3 HIS 101 15.023 9.353 6.143 183 HD1 HIS 101 HD1 HIS 101 14.704 11.458 7.811 184 HD2 HIS 101 HD2 HIS 101 14.845 12.366 3.699 185 HE1 HIS 101 HE1 HIS 101 14.256 13.995 7.620 186 HE2 HIS 101 HE2 HIS 101 14.265 14.520 5.090 187 H LYS 102 H LYS 102 19.150 10.966 5.395 188 HA LYS 102 HA LYS 102 20.492 9.862 7.459 189 HB2 LYS 102 HB2 LYS 102 21.034 11.714 5.740 190 HB3 LYS 102 HB3 LYS 102 20.592 12.861 6.988 191 HG2 LYS 102 HG2 LYS 102 22.726 10.686 7.312 192 HG3 LYS 102 HG3 LYS 102 23.046 12.296 6.662 193 HD2 LYS 102 HD2 LYS 102 22.159 13.294 8.795 194 HD3 LYS 102 HD3 LYS 102 22.084 11.643 9.462 195 HE2 LYS 102 HE2 LYS 102 24.431 11.350 9.350 196 HE3 LYS 102 HE3 LYS 102 24.648 12.687 8.214 197 HZ1 LYS 102 HZ1 LYS 102 25.307 13.226 10.552 198 HZ2 LYS 102 HZ2 LYS 102 24.198 14.260 9.946 199 HZ3 LYS 102 HZ3 LYS 102 23.726 13.120 11.014 200 H THR 103 H THR 103 18.281 12.616 8.145 201 HA THR 103 HA THR 103 18.619 12.642 10.940 202 HB THR 103 HB THR 103 16.044 13.226 9.410 203 HG1 THR 103 HG1 THR 103 16.946 15.342 9.278 204 HG21 THR 103 HG21 THR 103 15.696 13.318 11.853 205 HG22 THR 103 HG22 THR 103 17.107 14.394 12.021 206 HG23 THR 103 HG23 THR 103 15.652 14.933 11.143 207 H LEU 104 H LEU 104 16.529 10.457 9.062 208 HA LEU 104 HA LEU 104 15.146 9.341 11.418 209 HB2 LEU 104 HB2 LEU 104 14.171 9.358 9.066 210 HB3 LEU 104 HB3 LEU 104 15.466 8.263 8.568 211 HG LEU 104 HG LEU 104 14.600 6.593 10.277 212 HD11 LEU 104 HD11 LEU 104 12.208 8.489 10.332 213 HD12 LEU 104 HD12 LEU 104 12.281 6.874 11.042 214 HD13 LEU 104 HD13 LEU 104 13.289 8.163 11.715 215 HD21 LEU 104 HD21 LEU 104 12.639 7.467 8.125 216 HD22 LEU 104 HD22 LEU 104 14.069 6.440 7.866 217 HD23 LEU 104 HD23 LEU 104 12.742 5.858 8.880 218 H LYS 105 H LYS 105 17.902 8.446 9.261 219 HA LYS 105 HA LYS 105 18.577 5.996 10.472 220 HB2 LYS 105 HB2 LYS 105 19.537 7.215 8.363 221 HB3 LYS 105 HB3 LYS 105 20.697 7.934 9.519 222 HG2 LYS 105 HG2 LYS 105 21.393 5.661 10.218 223 HG3 LYS 105 HG3 LYS 105 20.218 4.952 9.093 224 HD2 LYS 105 HD2 LYS 105 21.414 5.987 7.184 225 HD3 LYS 105 HD3 LYS 105 22.591 6.711 8.308 226 HE2 LYS 105 HE2 LYS 105 23.236 4.434 9.090 227 HE3 LYS 105 HE3 LYS 105 22.069 3.715 7.972 228 HZ1 LYS 105 HZ1 LYS 105 23.347 4.678 6.120 229 HZ2 LYS 105 HZ2 LYS 105 24.434 5.339 7.152 230 HZ3 LYS 105 HZ3 LYS 105 24.306 3.716 7.026 231 H GLU 106 H GLU 106 19.720 9.266 11.380 232 HA GLU 106 HA GLU 106 21.200 8.459 13.623 233 HB2 GLU 106 HB2 GLU 106 19.767 11.011 12.883 234 HB3 GLU 106 HB3 GLU 106 20.344 10.817 14.547 235 HG2 GLU 106 HG2 GLU 106 22.595 10.246 13.709 236 HG3 GLU 106 HG3 GLU 106 22.012 10.504 12.041 237 H TRP 107 H TRP 107 17.696 9.182 13.461 238 HA TRP 107 HA TRP 107 17.211 8.704 16.239 239 HB2 TRP 107 HB2 TRP 107 15.311 8.385 13.883 240 HB3 TRP 107 HB3 TRP 107 14.847 8.393 15.572 241 HD1 TRP 107 HD1 TRP 107 17.343 11.042 15.287 242 HE1 TRP 107 HE1 TRP 107 16.286 13.348 15.019 243 HE3 TRP 107 HE3 TRP 107 12.561 9.617 14.092 244 HZ2 TRP 107 HZ2 TRP 107 13.743 14.445 14.351 245 HZ3 TRP 107 HZ3 TRP 107 10.817 11.345 13.697 246 HH2 TRP 107 HH2 TRP 107 11.402 13.777 13.824 247 H LYS 108 H LYS 108 17.211 6.420 13.487 248 HA LYS 108 HA LYS 108 16.365 4.073 14.979 249 HB2 LYS 108 HB2 LYS 108 18.070 4.304 12.451 250 HB3 LYS 108 HB3 LYS 108 17.368 2.792 13.084 251 HG2 LYS 108 HG2 LYS 108 15.087 3.775 12.820 252 HG3 LYS 108 HG3 LYS 108 15.784 5.223 12.148 253 HD2 LYS 108 HD2 LYS 108 15.510 4.290 10.127 254 HD3 LYS 108 HD3 LYS 108 16.929 3.300 10.508 255 HE2 LYS 108 HE2 LYS 108 15.378 1.610 11.557 256 HE3 LYS 108 HE3 LYS 108 14.001 2.602 11.062 257 HZ1 LYS 108 HZ1 LYS 108 15.921 1.251 9.216 258 HZ2 LYS 108 HZ2 LYS 108 14.349 0.840 9.483 259 HZ3 LYS 108 HZ3 LYS 108 14.711 2.244 8.717 260 H ALA 109 H ALA 109 19.563 5.492 14.373 261 HA ALA 109 HA ALA 109 21.039 3.412 15.739 262 HB1 ALA 109 HB1 ALA 109 21.765 6.321 15.144 263 HB2 ALA 109 HB2 ALA 109 22.897 5.031 15.591 264 HB3 ALA 109 HB3 ALA 109 22.013 4.938 14.053 265 H LYS 110 H LYS 110 19.675 6.518 16.811 266 HA LYS 110 HA LYS 110 20.859 6.399 19.472 267 HB2 LYS 110 HB2 LYS 110 18.805 8.219 18.178 268 HB3 LYS 110 HB3 LYS 110 19.377 8.441 19.836 269 HG2 LYS 110 HG2 LYS 110 21.660 8.791 19.110 270 HG3 LYS 110 HG3 LYS 110 21.263 8.352 17.448 271 HD2 LYS 110 HD2 LYS 110 19.620 10.313 17.424 272 HD3 LYS 110 HD3 LYS 110 20.337 10.814 18.972 273 HE2 LYS 110 HE2 LYS 110 22.599 10.835 17.834 274 HE3 LYS 110 HE3 LYS 110 21.801 10.431 16.309 275 HZ1 LYS 110 HZ1 LYS 110 20.448 12.578 16.771 276 HZ2 LYS 110 HZ2 LYS 110 21.643 12.970 17.822 277 HZ3 LYS 110 HZ3 LYS 110 21.968 12.731 16.219 278 H TRP 111 H TRP 111 17.624 5.622 18.275 279 HA TRP 111 HA TRP 111 16.828 4.777 21.044 280 HB2 TRP 111 HB2 TRP 111 15.207 6.202 18.906 281 HB3 TRP 111 HB3 TRP 111 14.551 5.587 20.417 282 HD1 TRP 111 HD1 TRP 111 15.836 6.537 22.724 283 HE1 TRP 111 HE1 TRP 111 16.675 8.893 23.279 284 HE3 TRP 111 HE3 TRP 111 15.940 8.492 18.007 285 HZ2 TRP 111 HZ2 TRP 111 17.490 11.260 21.843 286 HZ3 TRP 111 HZ3 TRP 111 16.861 10.780 17.616 287 HH2 TRP 111 HH2 TRP 111 17.622 12.167 19.522 288 H GLY 112 H GLY 112 17.386 3.436 18.049 289 HA2 GLY 112 HA2 GLY 112 17.324 1.091 17.850 290 HA3 GLY 112 HA3 GLY 112 15.855 0.990 18.797 291 HA PRO 113 HA PRO 113 15.107 1.864 14.068 292 HB2 PRO 113 HB2 PRO 113 15.410 -0.644 12.835 293 HB3 PRO 113 HB3 PRO 113 16.610 0.683 12.831 294 HG2 PRO 113 HG2 PRO 113 16.514 -1.719 14.619 295 HG3 PRO 113 HG3 PRO 113 17.932 -0.904 13.837 296 HD2 PRO 113 HD2 PRO 113 17.318 -0.547 16.448 297 HD3 PRO 113 HD3 PRO 113 17.968 0.778 15.427 298 H GLU 114 H GLU 114 14.274 -1.099 15.925 299 HA GLU 114 HA GLU 114 11.733 -1.499 14.675 300 HB2 GLU 114 HB2 GLU 114 12.834 -2.337 17.384 301 HB3 GLU 114 HB3 GLU 114 11.273 -2.878 16.742 302 HG2 GLU 114 HG2 GLU 114 12.437 -3.855 14.762 303 HG3 GLU 114 HG3 GLU 114 13.990 -3.381 15.450 304 H ALA 115 H ALA 115 12.729 0.329 17.536 305 HA ALA 115 HA ALA 115 10.091 1.149 18.396 306 HB1 ALA 115 HB1 ALA 115 12.073 1.239 19.854 307 HB2 ALA 115 HB2 ALA 115 12.824 2.444 18.793 308 HB3 ALA 115 HB3 ALA 115 11.346 2.858 19.683 309 H VAL 116 H VAL 116 12.602 2.783 16.388 310 HA VAL 116 HA VAL 116 11.020 5.066 15.749 311 HB VAL 116 HB VAL 116 13.367 3.795 14.321 312 HG11 VAL 116 HG11 VAL 116 12.119 6.553 13.921 313 HG12 VAL 116 HG12 VAL 116 13.687 6.033 13.261 314 HG13 VAL 116 HG13 VAL 116 12.198 5.245 12.720 315 HG21 VAL 116 HG21 VAL 116 14.648 5.560 15.418 316 HG22 VAL 116 HG22 VAL 116 13.194 6.210 16.175 317 HG23 VAL 116 HG23 VAL 116 13.822 4.637 16.663 318 H GLU 117 H GLU 117 11.314 1.927 13.946 319 HA GLU 117 HA GLU 117 9.508 2.798 11.845 320 HB2 GLU 117 HB2 GLU 117 10.439 0.070 12.805 321 HB3 GLU 117 HB3 GLU 117 9.250 0.276 11.507 322 HG2 GLU 117 HG2 GLU 117 10.789 1.606 10.184 323 HG3 GLU 117 HG3 GLU 117 11.988 1.595 11.465 324 H SER 118 H SER 118 8.954 1.701 15.132 325 HA SER 118 HA SER 118 6.066 1.295 14.755 326 HB2 SER 118 HB2 SER 118 7.534 1.719 17.363 327 HB3 SER 118 HB3 SER 118 5.883 1.150 17.098 328 HG SER 118 HG SER 118 8.290 -0.168 16.324 329 H TRP 119 H TRP 119 8.154 4.105 15.313 330 HA TRP 119 HA TRP 119 5.993 5.914 16.069 331 HB2 TRP 119 HB2 TRP 119 8.616 6.641 14.735 332 HB3 TRP 119 HB3 TRP 119 7.542 7.701 15.601 333 HD1 TRP 119 HD1 TRP 119 7.506 5.229 18.041 334 HE1 TRP 119 HE1 TRP 119 9.391 5.398 19.758 335 HE3 TRP 119 HE3 TRP 119 10.703 8.366 15.480 336 HZ2 TRP 119 HZ2 TRP 119 11.976 6.592 19.956 337 HZ3 TRP 119 HZ3 TRP 119 12.802 9.116 16.557 338 HH2 TRP 119 HH2 TRP 119 13.477 8.226 18.771 339 H ALA 120 H ALA 120 6.869 4.439 13.058 340 HA ALA 120 HA ALA 120 6.312 6.522 11.252 341 HB1 ALA 120 HB1 ALA 120 7.471 4.370 10.696 342 HB2 ALA 120 HB2 ALA 120 5.895 3.552 10.756 343 HB3 ALA 120 HB3 ALA 120 6.196 4.816 9.544 344 H THR 121 H THR 121 4.538 7.253 10.183 345 HA THR 121 HA THR 121 1.906 5.848 10.327 346 HB THR 121 HB THR 121 0.933 8.272 10.348 347 HG1 THR 121 HG1 THR 121 3.373 8.669 11.753 348 HG21 THR 121 HG21 THR 121 2.025 7.075 12.911 349 HG22 THR 121 HG22 THR 121 0.721 8.283 12.774 350 HG23 THR 121 HG23 THR 121 0.486 6.655 12.119 351 H LEU 122 H LEU 122 1.235 5.383 8.455 352 HA LEU 122 HA LEU 122 2.288 6.531 5.994 353 HB2 LEU 122 HB2 LEU 122 0.098 4.557 6.741 354 HB3 LEU 122 HB3 LEU 122 0.389 5.025 5.061 355 HG LEU 122 HG LEU 122 2.575 3.849 6.830 356 HD11 LEU 122 HD11 LEU 122 0.731 2.223 6.634 357 HD12 LEU 122 HD12 LEU 122 0.730 2.415 4.867 358 HD13 LEU 122 HD13 LEU 122 2.135 1.698 5.692 359 HD21 LEU 122 HD21 LEU 122 2.260 4.073 3.794 360 HD22 LEU 122 HD22 LEU 122 3.348 5.062 4.775 361 HD23 LEU 122 HD23 LEU 122 3.623 3.317 4.633 362 H LEU 123 H LEU 123 1.699 8.434 5.194 363 HA LEU 123 HA LEU 123 -0.814 9.742 5.998 364 HB2 LEU 123 HB2 LEU 123 1.298 10.620 3.983 365 HB3 LEU 123 HB3 LEU 123 0.007 11.610 4.647 366 HG LEU 123 HG LEU 123 2.466 10.563 6.108 367 HD11 LEU 123 HD11 LEU 123 2.913 12.949 6.427 368 HD12 LEU 123 HD12 LEU 123 2.697 12.601 4.701 369 HD13 LEU 123 HD13 LEU 123 1.393 13.373 5.615 370 HD21 LEU 123 HD21 LEU 123 0.015 11.991 7.249 371 HD22 LEU 123 HD22 LEU 123 0.644 10.392 7.726 372 HD23 LEU 123 HD23 LEU 123 1.569 11.846 8.091 373 H GLY 124 H GLY 124 -2.351 10.592 4.416 374 HA2 GLY 124 HA2 GLY 124 -2.512 9.400 1.727 375 HA3 GLY 124 HA3 GLY 124 -3.649 8.732 2.904 376 H HIS 125 H HIS 125 -2.602 12.135 2.697 377 HA HIS 125 HA HIS 125 -5.275 13.048 1.738 378 HB2 HIS 125 HB2 HIS 125 -3.985 14.182 4.217 379 HB3 HIS 125 HB3 HIS 125 -5.524 14.607 3.464 380 HD1 HIS 125 HD1 HIS 125 -7.254 12.192 3.375 381 HD2 HIS 125 HD2 HIS 125 -4.309 12.755 6.352 382 HE1 HIS 125 HE1 HIS 125 -7.925 10.683 5.355 383 HE2 HIS 125 HE2 HIS 125 -6.119 11.023 7.162 Start of MODEL 7 1 H ALA 79 H1 ALA 79 3.873 0.669 0.376 2 HA ALA 79 HA ALA 79 4.059 0.689 -2.576 3 HB1 ALA 79 HB1 ALA 79 1.968 2.022 -0.766 4 HB2 ALA 79 HB2 ALA 79 2.035 2.107 -2.539 5 HB3 ALA 79 HB3 ALA 79 1.703 0.568 -1.752 6 H ARG 80 H ARG 80 3.893 3.141 -3.297 7 HA ARG 80 HA ARG 80 6.367 4.410 -2.400 8 HB2 ARG 80 HB2 ARG 80 4.350 5.250 -4.485 9 HB3 ARG 80 HB3 ARG 80 5.941 5.981 -4.167 10 HG2 ARG 80 HG2 ARG 80 7.044 3.812 -4.564 11 HG3 ARG 80 HG3 ARG 80 5.488 3.087 -5.002 12 HD2 ARG 80 HD2 ARG 80 5.237 4.728 -6.847 13 HD3 ARG 80 HD3 ARG 80 6.811 5.437 -6.424 14 HE ARG 80 HE ARG 80 7.200 2.656 -6.842 15 HH11 ARG 80 HH11 ARG 80 6.360 5.434 -8.804 16 HH12 ARG 80 HH12 ARG 80 7.045 4.741 -10.247 17 HH21 ARG 80 HH21 ARG 80 8.051 1.823 -8.720 18 HH22 ARG 80 HH22 ARG 80 7.977 2.746 -10.192 19 H LYS 81 H LYS 81 3.328 4.672 -1.077 20 HA LYS 81 HA LYS 81 2.875 7.344 -0.461 21 HB2 LYS 81 HB2 LYS 81 2.392 4.790 1.136 22 HB3 LYS 81 HB3 LYS 81 1.856 6.385 1.706 23 HG2 LYS 81 HG2 LYS 81 0.510 6.714 -0.324 24 HG3 LYS 81 HG3 LYS 81 1.027 5.135 -0.949 25 HD2 LYS 81 HD2 LYS 81 -0.033 4.016 1.005 26 HD3 LYS 81 HD3 LYS 81 -0.541 5.597 1.632 27 HE2 LYS 81 HE2 LYS 81 -1.860 5.997 -0.439 28 HE3 LYS 81 HE3 LYS 81 -1.354 4.424 -1.069 29 HZ1 LYS 81 HZ1 LYS 81 -3.558 4.294 -0.038 30 HZ2 LYS 81 HZ2 LYS 81 -2.520 3.367 0.808 31 HZ3 LYS 81 HZ3 LYS 81 -2.984 4.819 1.396 32 H VAL 82 H VAL 82 3.216 8.643 1.284 33 HA VAL 82 HA VAL 82 5.965 8.741 2.308 34 HB VAL 82 HB VAL 82 3.511 10.485 2.756 35 HG11 VAL 82 HG11 VAL 82 5.112 12.206 3.633 36 HG12 VAL 82 HG12 VAL 82 4.895 10.834 4.721 37 HG13 VAL 82 HG13 VAL 82 6.368 10.957 3.711 38 HG21 VAL 82 HG21 VAL 82 4.684 12.079 1.296 39 HG22 VAL 82 HG22 VAL 82 6.064 10.972 1.152 40 HG23 VAL 82 HG23 VAL 82 4.485 10.546 0.450 41 H LYS 83 H LYS 83 6.672 8.366 4.347 42 HA LYS 83 HA LYS 83 4.731 7.550 6.487 43 HB2 LYS 83 HB2 LYS 83 7.617 6.726 5.966 44 HB3 LYS 83 HB3 LYS 83 6.862 6.592 7.567 45 HG2 LYS 83 HG2 LYS 83 5.098 5.162 6.689 46 HG3 LYS 83 HG3 LYS 83 5.789 5.248 5.057 47 HD2 LYS 83 HD2 LYS 83 7.792 4.091 5.748 48 HD3 LYS 83 HD3 LYS 83 7.372 4.242 7.467 49 HE2 LYS 83 HE2 LYS 83 5.451 2.767 7.207 50 HE3 LYS 83 HE3 LYS 83 5.696 2.676 5.450 51 HZ1 LYS 83 HZ1 LYS 83 7.618 1.637 7.490 52 HZ2 LYS 83 HZ2 LYS 83 6.619 0.720 6.580 53 HZ3 LYS 83 HZ3 LYS 83 7.826 1.549 5.866 54 H GLN 84 H GLN 84 4.437 9.021 7.937 55 HA GLN 84 HA GLN 84 6.390 11.200 8.484 56 HB2 GLN 84 HB2 GLN 84 3.948 11.690 8.224 57 HB3 GLN 84 HB3 GLN 84 3.594 10.611 9.569 58 HG2 GLN 84 HG2 GLN 84 4.902 12.107 11.089 59 HG3 GLN 84 HG3 GLN 84 5.267 13.167 9.722 60 HE21 GLN 84 HE22 GLN 84 3.462 14.489 8.784 61 HE22 GLN 84 HE21 GLN 84 2.008 14.679 9.756 62 H TYR 85 H TYR 85 7.367 11.356 10.505 63 HA TYR 85 HA TYR 85 7.026 9.146 12.493 64 HB2 TYR 85 HB2 TYR 85 9.679 10.237 11.469 65 HB3 TYR 85 HB3 TYR 85 9.493 9.183 12.848 66 HD1 TYR 85 HD2 TYR 85 9.042 9.331 9.121 67 HD2 TYR 85 HD1 TYR 85 9.558 6.848 12.609 68 HE1 TYR 85 HE2 TYR 85 9.428 7.353 7.660 69 HE2 TYR 85 HE1 TYR 85 9.997 4.885 11.161 70 HH TYR 85 HH TYR 85 10.142 4.100 8.969 71 H LYS 86 H LYS 86 7.402 9.826 14.629 72 HA LYS 86 HA LYS 86 8.045 12.699 15.134 73 HB2 LYS 86 HB2 LYS 86 5.594 12.366 15.240 74 HB3 LYS 86 HB3 LYS 86 5.820 11.061 16.425 75 HG2 LYS 86 HG2 LYS 86 6.708 12.637 18.068 76 HG3 LYS 86 HG3 LYS 86 6.666 13.953 16.885 77 HD2 LYS 86 HD2 LYS 86 4.190 13.732 16.733 78 HD3 LYS 86 HD3 LYS 86 4.245 12.433 17.947 79 HE2 LYS 86 HE2 LYS 86 5.258 14.014 19.583 80 HE3 LYS 86 HE3 LYS 86 5.214 15.302 18.373 81 HZ1 LYS 86 HZ1 LYS 86 2.810 13.924 19.477 82 HZ2 LYS 86 HZ2 LYS 86 3.295 15.435 19.866 83 HZ3 LYS 86 HZ3 LYS 86 2.772 15.111 18.354 84 H ASN 87 H ASN 87 9.273 13.076 16.927 85 HA ASN 87 HA ASN 87 10.366 10.664 18.361 86 HB2 ASN 87 HB2 ASN 87 11.861 11.657 16.686 87 HB3 ASN 87 HB3 ASN 87 11.844 13.185 17.570 88 HD21 ASN 87 HD22 ASN 87 14.257 12.110 17.163 89 HD22 ASN 87 HD21 ASN 87 14.858 11.327 18.620 90 HA PRO 88 HA PRO 88 8.287 12.942 21.798 91 HB2 PRO 88 HB2 PRO 88 9.217 10.314 22.974 92 HB3 PRO 88 HB3 PRO 88 7.727 11.241 23.349 93 HG2 PRO 88 HG2 PRO 88 7.613 9.142 21.642 94 HG3 PRO 88 HG3 PRO 88 6.746 10.660 21.247 95 HD2 PRO 88 HD2 PRO 88 9.359 9.636 20.154 96 HD3 PRO 88 HD3 PRO 88 8.033 10.515 19.324 97 H HIS 89 H HIS 89 11.581 11.627 21.643 98 HA HIS 89 HA HIS 89 12.528 12.650 24.159 99 HB2 HIS 89 HB2 HIS 89 14.136 12.073 21.632 100 HB3 HIS 89 HB3 HIS 89 14.761 12.206 23.268 101 HD1 HIS 89 HD1 HIS 89 13.156 9.732 20.946 102 HD2 HIS 89 HD2 HIS 89 13.945 10.222 25.068 103 HE1 HIS 89 HE1 HIS 89 12.822 7.396 22.059 104 HE2 HIS 89 HE2 HIS 89 13.307 7.726 24.563 105 H THR 90 H THR 90 12.187 14.209 21.011 106 HA THR 90 HA THR 90 13.268 16.771 22.148 107 HB THR 90 HB THR 90 14.066 17.303 19.922 108 HG1 THR 90 HG1 THR 90 13.854 15.894 18.267 109 HG21 THR 90 HG21 THR 90 15.555 15.869 21.377 110 HG22 THR 90 HG22 THR 90 14.902 14.433 20.547 111 HG23 THR 90 HG23 THR 90 15.831 15.639 19.639 112 H GLY 91 H GLY 91 10.544 15.277 20.601 113 HA2 GLY 91 HA2 GLY 91 8.404 16.212 20.307 114 HA3 GLY 91 HA3 GLY 91 9.071 17.842 20.432 115 H GLU 92 H GLU 92 11.115 16.183 18.351 116 HA GLU 92 HA GLU 92 10.329 17.608 16.023 117 HB2 GLU 92 HB2 GLU 92 12.278 15.423 16.690 118 HB3 GLU 92 HB3 GLU 92 11.849 15.605 15.003 119 HG2 GLU 92 HG2 GLU 92 12.527 17.716 14.773 120 HG3 GLU 92 HG3 GLU 92 12.583 18.065 16.522 121 H VAL 93 H VAL 93 9.546 17.046 14.064 122 HA VAL 93 HA VAL 93 8.399 14.358 13.583 123 HB VAL 93 HB VAL 93 7.239 17.031 12.773 124 HG11 VAL 93 HG11 VAL 93 6.642 15.223 11.172 125 HG12 VAL 93 HG12 VAL 93 6.067 14.219 12.525 126 HG13 VAL 93 HG13 VAL 93 5.226 15.723 12.098 127 HG21 VAL 93 HG21 VAL 93 6.951 16.797 15.133 128 HG22 VAL 93 HG22 VAL 93 5.385 16.570 14.342 129 HG23 VAL 93 HG23 VAL 93 6.284 15.153 14.946 130 H ILE 94 H ILE 94 8.739 13.594 11.532 131 HA ILE 94 HA ILE 94 9.844 15.301 9.397 132 HB ILE 94 HB ILE 94 11.566 13.623 8.808 133 HG12 ILE 94 HG12 ILE 94 10.946 12.361 11.503 134 HG13 ILE 94 HG13 ILE 94 10.610 11.660 9.923 135 HG21 ILE 94 HG21 ILE 94 12.089 15.691 10.073 136 HG22 ILE 94 HG22 ILE 94 12.041 14.758 11.584 137 HG23 ILE 94 HG23 ILE 94 13.251 14.389 10.334 138 HD11 ILE 94 HD11 ILE 94 13.376 12.198 11.057 139 HD12 ILE 94 HD12 ILE 94 12.575 10.632 10.870 140 HD13 ILE 94 HD13 ILE 94 13.016 11.557 9.424 141 H GLU 95 H GLU 95 9.816 14.233 7.347 142 HA GLU 95 HA GLU 95 7.970 11.925 6.998 143 HB2 GLU 95 HB2 GLU 95 7.680 14.708 5.808 144 HB3 GLU 95 HB3 GLU 95 6.981 13.281 5.024 145 HG2 GLU 95 HG2 GLU 95 5.603 12.786 6.927 146 HG3 GLU 95 HG3 GLU 95 6.388 14.034 7.898 147 H THR 96 H THR 96 8.529 10.558 5.437 148 HA THR 96 HA THR 96 10.259 11.342 3.172 149 HB THR 96 HB THR 96 11.974 10.817 4.705 150 HG1 THR 96 HG1 THR 96 12.890 9.062 3.691 151 HG21 THR 96 HG21 THR 96 12.139 8.643 5.910 152 HG22 THR 96 HG22 THR 96 10.812 9.648 6.513 153 HG23 THR 96 HG23 THR 96 10.463 8.269 5.439 154 H LYS 97 H LYS 97 10.334 9.689 1.495 155 HA LYS 97 HA LYS 97 7.918 7.936 1.385 156 HB2 LYS 97 HB2 LYS 97 10.048 8.654 -0.677 157 HB3 LYS 97 HB3 LYS 97 8.716 7.531 -0.974 158 HG2 LYS 97 HG2 LYS 97 7.070 9.307 -0.453 159 HG3 LYS 97 HG3 LYS 97 8.394 10.462 -0.214 160 HD2 LYS 97 HD2 LYS 97 9.130 10.110 -2.562 161 HD3 LYS 97 HD3 LYS 97 7.784 8.964 -2.804 162 HE2 LYS 97 HE2 LYS 97 6.157 10.767 -2.286 163 HE3 LYS 97 HE3 LYS 97 7.489 11.904 -2.017 164 HZ1 LYS 97 HZ1 LYS 97 6.580 12.137 -4.253 165 HZ2 LYS 97 HZ2 LYS 97 8.118 11.613 -4.364 166 HZ3 LYS 97 HZ3 LYS 97 6.886 10.571 -4.610 167 H GLY 98 H GLY 98 10.975 7.582 2.644 168 HA2 GLY 98 HA2 GLY 98 11.409 5.448 3.743 169 HA3 GLY 98 HA3 GLY 98 10.914 4.596 2.285 170 H GLY 99 H GLY 99 12.781 7.227 1.308 171 HA2 GLY 99 HA2 GLY 99 15.105 5.628 0.611 172 HA3 GLY 99 HA3 GLY 99 14.885 7.355 0.346 173 H ASN 100 H ASN 100 17.323 6.815 0.952 174 HA ASN 100 HA ASN 100 18.039 6.590 3.721 175 HB2 ASN 100 HB2 ASN 100 19.500 5.915 1.843 176 HB3 ASN 100 HB3 ASN 100 19.620 7.597 1.321 177 HD21 ASN 100 HD22 ASN 100 21.973 7.332 1.569 178 HD22 ASN 100 HD21 ASN 100 22.666 7.446 3.177 179 H HIS 101 H HIS 101 16.678 8.120 4.757 180 HA HIS 101 HA HIS 101 17.300 11.023 4.424 181 HB2 HIS 101 HB2 HIS 101 14.960 10.146 4.270 182 HB3 HIS 101 HB3 HIS 101 15.047 9.657 5.962 183 HD1 HIS 101 HD1 HIS 101 14.918 11.689 7.764 184 HD2 HIS 101 HD2 HIS 101 14.767 12.761 3.694 185 HE1 HIS 101 HE1 HIS 101 14.436 14.230 7.710 186 HE2 HIS 101 HE2 HIS 101 14.278 14.856 5.210 187 H LYS 102 H LYS 102 19.244 11.253 5.494 188 HA LYS 102 HA LYS 102 20.390 9.938 7.529 189 HB2 LYS 102 HB2 LYS 102 21.426 11.709 6.167 190 HB3 LYS 102 HB3 LYS 102 20.523 12.942 7.040 191 HG2 LYS 102 HG2 LYS 102 22.801 12.927 7.783 192 HG3 LYS 102 HG3 LYS 102 21.774 12.416 9.114 193 HD2 LYS 102 HD2 LYS 102 22.435 10.057 8.752 194 HD3 LYS 102 HD3 LYS 102 23.367 10.537 7.312 195 HE2 LYS 102 HE2 LYS 102 24.769 12.031 8.766 196 HE3 LYS 102 HE3 LYS 102 23.895 11.454 10.184 197 HZ1 LYS 102 HZ1 LYS 102 25.533 9.738 8.376 198 HZ2 LYS 102 HZ2 LYS 102 25.979 10.235 9.863 199 HZ3 LYS 102 HZ3 LYS 102 24.728 9.197 9.696 200 H THR 103 H THR 103 18.194 12.685 8.287 201 HA THR 103 HA THR 103 18.462 12.633 11.086 202 HB THR 103 HB THR 103 15.810 13.115 9.676 203 HG1 THR 103 HG1 THR 103 17.910 15.007 9.884 204 HG21 THR 103 HG21 THR 103 17.093 14.444 12.098 205 HG22 THR 103 HG22 THR 103 15.577 14.955 11.316 206 HG23 THR 103 HG23 THR 103 15.677 13.368 12.091 207 H LEU 104 H LEU 104 16.495 10.458 9.069 208 HA LEU 104 HA LEU 104 15.046 9.255 11.338 209 HB2 LEU 104 HB2 LEU 104 14.099 9.367 9.011 210 HB3 LEU 104 HB3 LEU 104 15.430 8.371 8.427 211 HG LEU 104 HG LEU 104 14.655 6.502 9.893 212 HD11 LEU 104 HD11 LEU 104 12.395 6.591 10.842 213 HD12 LEU 104 HD12 LEU 104 13.425 7.794 11.626 214 HD13 LEU 104 HD13 LEU 104 12.242 8.296 10.397 215 HD21 LEU 104 HD21 LEU 104 13.940 6.684 7.518 216 HD22 LEU 104 HD22 LEU 104 12.731 5.894 8.545 217 HD23 LEU 104 HD23 LEU 104 12.497 7.581 8.049 218 H LYS 105 H LYS 105 17.830 8.409 9.197 219 HA LYS 105 HA LYS 105 18.515 5.953 10.402 220 HB2 LYS 105 HB2 LYS 105 19.445 7.167 8.288 221 HB3 LYS 105 HB3 LYS 105 20.586 7.940 9.424 222 HG2 LYS 105 HG2 LYS 105 21.390 5.710 10.125 223 HG3 LYS 105 HG3 LYS 105 20.222 4.939 9.028 224 HD2 LYS 105 HD2 LYS 105 21.348 5.996 7.077 225 HD3 LYS 105 HD3 LYS 105 22.452 6.840 8.166 226 HE2 LYS 105 HE2 LYS 105 23.667 5.004 7.297 227 HE3 LYS 105 HE3 LYS 105 23.311 4.622 8.980 228 HZ1 LYS 105 HZ1 LYS 105 21.506 3.156 8.193 229 HZ2 LYS 105 HZ2 LYS 105 21.799 3.559 6.632 230 HZ3 LYS 105 HZ3 LYS 105 22.905 2.722 7.486 231 H GLU 106 H GLU 106 19.609 9.234 11.297 232 HA GLU 106 HA GLU 106 21.153 8.483 13.520 233 HB2 GLU 106 HB2 GLU 106 19.611 10.987 12.808 234 HB3 GLU 106 HB3 GLU 106 20.284 10.817 14.435 235 HG2 GLU 106 HG2 GLU 106 22.507 10.373 13.498 236 HG3 GLU 106 HG3 GLU 106 21.856 10.594 11.853 237 H TRP 107 H TRP 107 17.634 9.180 13.424 238 HA TRP 107 HA TRP 107 17.201 8.679 16.208 239 HB2 TRP 107 HB2 TRP 107 15.274 8.380 13.877 240 HB3 TRP 107 HB3 TRP 107 14.826 8.352 15.574 241 HD1 TRP 107 HD1 TRP 107 17.316 11.011 15.317 242 HE1 TRP 107 HE1 TRP 107 16.261 13.318 15.078 243 HE3 TRP 107 HE3 TRP 107 12.528 9.601 14.115 244 HZ2 TRP 107 HZ2 TRP 107 13.725 14.420 14.400 245 HZ3 TRP 107 HZ3 TRP 107 10.794 11.342 13.715 246 HH2 TRP 107 HH2 TRP 107 11.390 13.764 13.836 247 H LYS 108 H LYS 108 17.151 6.402 13.443 248 HA LYS 108 HA LYS 108 16.342 4.056 14.958 249 HB2 LYS 108 HB2 LYS 108 18.011 4.281 12.400 250 HB3 LYS 108 HB3 LYS 108 17.321 2.769 13.056 251 HG2 LYS 108 HG2 LYS 108 15.039 3.732 12.817 252 HG3 LYS 108 HG3 LYS 108 15.712 5.191 12.137 253 HD2 LYS 108 HD2 LYS 108 15.455 4.243 10.109 254 HD3 LYS 108 HD3 LYS 108 16.861 3.242 10.501 255 HE2 LYS 108 HE2 LYS 108 15.275 1.590 11.578 256 HE3 LYS 108 HE3 LYS 108 13.921 2.590 11.048 257 HZ1 LYS 108 HZ1 LYS 108 14.630 2.166 8.722 258 HZ2 LYS 108 HZ2 LYS 108 15.848 1.196 9.234 259 HZ3 LYS 108 HZ3 LYS 108 14.282 0.775 9.511 260 H ALA 109 H ALA 109 19.525 5.481 14.292 261 HA ALA 109 HA ALA 109 21.041 3.413 15.637 262 HB1 ALA 109 HB1 ALA 109 21.733 6.317 14.999 263 HB2 ALA 109 HB2 ALA 109 22.885 5.038 15.451 264 HB3 ALA 109 HB3 ALA 109 21.983 4.923 13.927 265 H LYS 110 H LYS 110 19.705 6.533 16.711 266 HA LYS 110 HA LYS 110 20.929 6.440 19.358 267 HB2 LYS 110 HB2 LYS 110 18.846 8.242 18.087 268 HB3 LYS 110 HB3 LYS 110 19.454 8.480 19.727 269 HG2 LYS 110 HG2 LYS 110 21.724 8.828 18.945 270 HG3 LYS 110 HG3 LYS 110 21.296 8.373 17.295 271 HD2 LYS 110 HD2 LYS 110 19.650 10.342 17.291 272 HD3 LYS 110 HD3 LYS 110 20.400 10.855 18.816 273 HE2 LYS 110 HE2 LYS 110 22.639 10.855 17.635 274 HE3 LYS 110 HE3 LYS 110 21.816 10.437 16.129 275 HZ1 LYS 110 HZ1 LYS 110 21.998 12.744 16.018 276 HZ2 LYS 110 HZ2 LYS 110 20.479 12.600 16.581 277 HZ3 LYS 110 HZ3 LYS 110 21.684 12.991 17.619 278 H TRP 111 H TRP 111 17.683 5.628 18.212 279 HA TRP 111 HA TRP 111 16.930 4.802 21.000 280 HB2 TRP 111 HB2 TRP 111 15.275 6.237 18.894 281 HB3 TRP 111 HB3 TRP 111 14.649 5.622 20.421 282 HD1 TRP 111 HD1 TRP 111 16.037 6.541 22.694 283 HE1 TRP 111 HE1 TRP 111 16.909 8.889 23.244 284 HE3 TRP 111 HE3 TRP 111 15.936 8.555 18.000 285 HZ2 TRP 111 HZ2 TRP 111 17.659 11.273 21.800 286 HZ3 TRP 111 HZ3 TRP 111 16.846 10.850 17.601 287 HH2 TRP 111 HH2 TRP 111 17.692 12.210 19.490 288 H GLY 112 H GLY 112 17.434 3.437 18.002 289 HA2 GLY 112 HA2 GLY 112 17.344 1.088 17.834 290 HA3 GLY 112 HA3 GLY 112 15.886 1.016 18.805 291 HA PRO 113 HA PRO 113 15.069 1.854 14.078 292 HB2 PRO 113 HB2 PRO 113 15.338 -0.666 12.864 293 HB3 PRO 113 HB3 PRO 113 16.535 0.653 12.823 294 HG2 PRO 113 HG2 PRO 113 16.469 -1.728 14.640 295 HG3 PRO 113 HG3 PRO 113 17.874 -0.927 13.820 296 HD2 PRO 113 HD2 PRO 113 17.312 -0.544 16.436 297 HD3 PRO 113 HD3 PRO 113 17.948 0.773 15.396 298 H GLU 114 H GLU 114 14.250 -1.085 15.976 299 HA GLU 114 HA GLU 114 11.700 -1.490 14.742 300 HB2 GLU 114 HB2 GLU 114 12.807 -2.318 17.454 301 HB3 GLU 114 HB3 GLU 114 11.252 -2.866 16.811 302 HG2 GLU 114 HG2 GLU 114 12.418 -3.854 14.843 303 HG3 GLU 114 HG3 GLU 114 13.972 -3.380 15.528 304 H ALA 115 H ALA 115 12.719 0.350 17.592 305 HA ALA 115 HA ALA 115 10.081 1.181 18.456 306 HB1 ALA 115 HB1 ALA 115 12.825 2.451 18.842 307 HB2 ALA 115 HB2 ALA 115 11.348 2.912 19.709 308 HB3 ALA 115 HB3 ALA 115 12.036 1.285 19.927 309 H VAL 116 H VAL 116 12.588 2.793 16.427 310 HA VAL 116 HA VAL 116 11.010 5.085 15.788 311 HB VAL 116 HB VAL 116 13.337 3.797 14.346 312 HG11 VAL 116 HG11 VAL 116 12.110 6.566 13.966 313 HG12 VAL 116 HG12 VAL 116 13.665 6.037 13.296 314 HG13 VAL 116 HG13 VAL 116 12.159 5.272 12.756 315 HG21 VAL 116 HG21 VAL 116 14.647 5.546 15.442 316 HG22 VAL 116 HG22 VAL 116 13.211 6.207 16.214 317 HG23 VAL 116 HG23 VAL 116 13.823 4.630 16.690 318 H GLU 117 H GLU 117 11.274 1.933 14.002 319 HA GLU 117 HA GLU 117 9.474 2.804 11.900 320 HB2 GLU 117 HB2 GLU 117 10.367 0.068 12.899 321 HB3 GLU 117 HB3 GLU 117 9.193 0.273 11.590 322 HG2 GLU 117 HG2 GLU 117 10.760 1.563 10.257 323 HG3 GLU 117 HG3 GLU 117 11.954 1.556 11.551 324 H SER 118 H SER 118 8.925 1.685 15.189 325 HA SER 118 HA SER 118 6.030 1.301 14.833 326 HB2 SER 118 HB2 SER 118 7.526 1.730 17.420 327 HB3 SER 118 HB3 SER 118 5.866 1.177 17.175 328 HG SER 118 HG SER 118 8.247 -0.174 16.391 329 H TRP 119 H TRP 119 8.136 4.111 15.361 330 HA TRP 119 HA TRP 119 5.976 5.922 16.123 331 HB2 TRP 119 HB2 TRP 119 8.601 6.636 14.788 332 HB3 TRP 119 HB3 TRP 119 7.515 7.706 15.635 333 HD1 TRP 119 HD1 TRP 119 7.450 5.287 18.104 334 HE1 TRP 119 HE1 TRP 119 9.313 5.477 19.843 335 HE3 TRP 119 HE3 TRP 119 10.704 8.348 15.522 336 HZ2 TRP 119 HZ2 TRP 119 11.925 6.628 20.036 337 HZ3 TRP 119 HZ3 TRP 119 12.807 9.080 16.607 338 HH2 TRP 119 HH2 TRP 119 13.451 8.215 18.833 339 H ALA 120 H ALA 120 6.835 4.436 13.115 340 HA ALA 120 HA ALA 120 6.294 6.547 11.331 341 HB1 ALA 120 HB1 ALA 120 5.904 3.581 10.767 342 HB2 ALA 120 HB2 ALA 120 6.236 4.873 9.594 343 HB3 ALA 120 HB3 ALA 120 7.479 4.406 10.773 344 H THR 121 H THR 121 4.528 7.284 10.256 345 HA THR 121 HA THR 121 1.949 5.771 10.230 346 HB THR 121 HB THR 121 0.917 8.188 10.186 347 HG1 THR 121 HG1 THR 121 1.958 9.573 11.665 348 HG21 THR 121 HG21 THR 121 1.791 6.930 12.808 349 HG22 THR 121 HG22 THR 121 0.433 8.056 12.568 350 HG23 THR 121 HG23 THR 121 0.374 6.448 11.837 351 H LEU 122 H LEU 122 1.411 5.279 8.328 352 HA LEU 122 HA LEU 122 2.426 6.467 5.900 353 HB2 LEU 122 HB2 LEU 122 0.125 4.616 6.622 354 HB3 LEU 122 HB3 LEU 122 0.437 5.090 4.951 355 HG LEU 122 HG LEU 122 2.535 3.741 6.707 356 HD11 LEU 122 HD11 LEU 122 0.587 2.247 6.498 357 HD12 LEU 122 HD12 LEU 122 0.595 2.458 4.735 358 HD13 LEU 122 HD13 LEU 122 1.953 1.637 5.549 359 HD21 LEU 122 HD21 LEU 122 3.558 3.163 4.514 360 HD22 LEU 122 HD22 LEU 122 2.253 4.014 3.670 361 HD23 LEU 122 HD23 LEU 122 3.402 4.919 4.672 362 H LEU 123 H LEU 123 1.717 8.198 4.788 363 HA LEU 123 HA LEU 123 -0.742 9.612 5.712 364 HB2 LEU 123 HB2 LEU 123 1.438 10.559 3.813 365 HB3 LEU 123 HB3 LEU 123 0.129 11.523 4.485 366 HG LEU 123 HG LEU 123 2.545 10.402 5.973 367 HD11 LEU 123 HD11 LEU 123 1.507 13.238 5.540 368 HD12 LEU 123 HD12 LEU 123 2.995 12.768 6.381 369 HD13 LEU 123 HD13 LEU 123 2.836 12.477 4.643 370 HD21 LEU 123 HD21 LEU 123 0.655 10.191 7.520 371 HD22 LEU 123 HD22 LEU 123 1.595 11.607 7.978 372 HD23 LEU 123 HD23 LEU 123 0.070 11.818 7.093 373 H GLY 124 H GLY 124 -2.174 10.546 4.074 374 HA2 GLY 124 HA2 GLY 124 -2.229 9.386 1.355 375 HA3 GLY 124 HA3 GLY 124 -3.485 8.819 2.461 376 H HIS 125 H HIS 125 -2.186 12.127 2.361 377 HA HIS 125 HA HIS 125 -4.730 13.430 2.259 378 HB2 HIS 125 HB2 HIS 125 -2.873 14.430 3.280 379 HB3 HIS 125 HB3 HIS 125 -1.942 14.457 1.767 380 HD1 HIS 125 HD1 HIS 125 -4.939 16.216 3.448 381 HD2 HIS 125 HD2 HIS 125 -2.426 16.446 0.062 382 HE1 HIS 125 HE1 HIS 125 -5.439 18.486 2.329 383 HE2 HIS 125 HE2 HIS 125 -3.905 18.616 0.261 Start of MODEL 8 1 H ALA 79 H1 ALA 79 3.066 0.331 -0.613 2 HA ALA 79 HA ALA 79 5.021 0.336 -2.828 3 HB1 ALA 79 HB1 ALA 79 2.702 0.504 -3.693 4 HB2 ALA 79 HB2 ALA 79 2.379 1.879 -2.619 5 HB3 ALA 79 HB3 ALA 79 3.566 2.025 -3.930 6 H ARG 80 H ARG 80 5.707 2.735 -3.271 7 HA ARG 80 HA ARG 80 7.116 3.643 -0.877 8 HB2 ARG 80 HB2 ARG 80 7.190 4.657 -3.719 9 HB3 ARG 80 HB3 ARG 80 8.249 5.137 -2.371 10 HG2 ARG 80 HG2 ARG 80 8.962 2.805 -2.056 11 HG3 ARG 80 HG3 ARG 80 8.019 2.319 -3.485 12 HD2 ARG 80 HD2 ARG 80 9.349 3.854 -4.894 13 HD3 ARG 80 HD3 ARG 80 10.311 4.323 -3.477 14 HE ARG 80 HE ARG 80 10.424 1.503 -3.677 15 HH11 ARG 80 HH11 ARG 80 11.588 4.229 -5.554 16 HH12 ARG 80 HH12 ARG 80 12.917 3.323 -6.220 17 HH21 ARG 80 HH21 ARG 80 12.150 0.409 -4.557 18 HH22 ARG 80 HH22 ARG 80 13.224 1.218 -5.661 19 H LYS 81 H LYS 81 4.486 4.063 -0.281 20 HA LYS 81 HA LYS 81 3.691 6.900 -0.517 21 HB2 LYS 81 HB2 LYS 81 2.741 4.456 1.012 22 HB3 LYS 81 HB3 LYS 81 2.364 6.044 1.673 23 HG2 LYS 81 HG2 LYS 81 0.519 5.318 0.345 24 HG3 LYS 81 HG3 LYS 81 1.269 6.725 -0.413 25 HD2 LYS 81 HD2 LYS 81 2.359 5.266 -2.103 26 HD3 LYS 81 HD3 LYS 81 1.753 3.838 -1.254 27 HE2 LYS 81 HE2 LYS 81 0.320 4.145 -3.124 28 HE3 LYS 81 HE3 LYS 81 -0.601 4.602 -1.692 29 HZ1 LYS 81 HZ1 LYS 81 -0.190 6.950 -2.252 30 HZ2 LYS 81 HZ2 LYS 81 0.714 6.525 -3.557 31 HZ3 LYS 81 HZ3 LYS 81 -0.880 6.197 -3.518 32 H VAL 82 H VAL 82 3.606 8.343 1.190 33 HA VAL 82 HA VAL 82 6.198 8.703 2.463 34 HB VAL 82 HB VAL 82 3.612 10.272 2.772 35 HG11 VAL 82 HG11 VAL 82 5.120 12.094 3.643 36 HG12 VAL 82 HG12 VAL 82 4.966 10.732 4.747 37 HG13 VAL 82 HG13 VAL 82 6.436 10.909 3.755 38 HG21 VAL 82 HG21 VAL 82 6.161 10.872 1.196 39 HG22 VAL 82 HG22 VAL 82 4.620 10.344 0.480 40 HG23 VAL 82 HG23 VAL 82 4.722 11.907 1.296 41 H LYS 83 H LYS 83 6.870 8.167 4.413 42 HA LYS 83 HA LYS 83 4.943 7.345 6.565 43 HB2 LYS 83 HB2 LYS 83 7.875 6.663 6.081 44 HB3 LYS 83 HB3 LYS 83 7.106 6.528 7.677 45 HG2 LYS 83 HG2 LYS 83 5.421 4.982 6.797 46 HG3 LYS 83 HG3 LYS 83 6.177 5.045 5.191 47 HD2 LYS 83 HD2 LYS 83 8.227 4.062 6.045 48 HD3 LYS 83 HD3 LYS 83 7.660 4.188 7.724 49 HE2 LYS 83 HE2 LYS 83 5.877 2.592 7.336 50 HE3 LYS 83 HE3 LYS 83 6.264 2.505 5.606 51 HZ1 LYS 83 HZ1 LYS 83 8.136 1.632 7.784 52 HZ2 LYS 83 HZ2 LYS 83 7.237 0.630 6.856 53 HZ3 LYS 83 HZ3 LYS 83 8.419 1.524 6.175 54 H GLN 84 H GLN 84 4.521 8.870 7.903 55 HA GLN 84 HA GLN 84 6.336 11.159 8.493 56 HB2 GLN 84 HB2 GLN 84 4.000 11.678 8.188 57 HB3 GLN 84 HB3 GLN 84 3.497 10.346 9.214 58 HG2 GLN 84 HG2 GLN 84 4.499 11.534 11.200 59 HG3 GLN 84 HG3 GLN 84 4.897 12.890 10.134 60 HE21 GLN 84 HE22 GLN 84 2.077 10.773 11.032 61 HE22 GLN 84 HE21 GLN 84 0.928 12.112 11.076 62 H TYR 85 H TYR 85 7.326 11.343 10.491 63 HA TYR 85 HA TYR 85 6.974 9.173 12.524 64 HB2 TYR 85 HB2 TYR 85 9.643 10.263 11.563 65 HB3 TYR 85 HB3 TYR 85 9.415 9.165 12.897 66 HD1 TYR 85 HD1 TYR 85 9.162 9.463 9.175 67 HD2 TYR 85 HD2 TYR 85 9.353 6.827 12.585 68 HE1 TYR 85 HE1 TYR 85 9.658 7.537 7.676 69 HE2 TYR 85 HE2 TYR 85 9.869 4.909 11.095 70 HH TYR 85 HH TYR 85 10.325 4.255 8.943 71 H LYS 86 H LYS 86 7.438 9.855 14.651 72 HA LYS 86 HA LYS 86 8.029 12.736 15.137 73 HB2 LYS 86 HB2 LYS 86 5.584 12.397 15.279 74 HB3 LYS 86 HB3 LYS 86 5.824 11.086 16.452 75 HG2 LYS 86 HG2 LYS 86 6.723 12.663 18.097 76 HG3 LYS 86 HG3 LYS 86 6.653 13.978 16.918 77 HD2 LYS 86 HD2 LYS 86 4.176 13.745 16.796 78 HD3 LYS 86 HD3 LYS 86 4.254 12.436 17.997 79 HE2 LYS 86 HE2 LYS 86 5.280 14.011 19.637 80 HE3 LYS 86 HE3 LYS 86 5.214 15.313 18.441 81 HZ1 LYS 86 HZ1 LYS 86 2.771 15.102 18.456 82 HZ2 LYS 86 HZ2 LYS 86 2.833 13.900 19.563 83 HZ3 LYS 86 HZ3 LYS 86 3.312 15.410 19.960 84 H ASN 87 H ASN 87 9.280 13.118 16.940 85 HA ASN 87 HA ASN 87 10.361 10.697 18.373 86 HB2 ASN 87 HB2 ASN 87 11.882 11.655 16.699 87 HB3 ASN 87 HB3 ASN 87 11.888 13.187 17.563 88 HD21 ASN 87 HD22 ASN 87 14.286 12.068 17.186 89 HD22 ASN 87 HD21 ASN 87 14.863 11.279 18.651 90 HA PRO 88 HA PRO 88 8.308 13.027 21.779 91 HB2 PRO 88 HB2 PRO 88 9.171 10.392 22.996 92 HB3 PRO 88 HB3 PRO 88 7.694 11.351 23.335 93 HG2 PRO 88 HG2 PRO 88 7.571 9.234 21.658 94 HG3 PRO 88 HG3 PRO 88 6.745 10.767 21.227 95 HD2 PRO 88 HD2 PRO 88 9.359 9.683 20.197 96 HD3 PRO 88 HD3 PRO 88 8.058 10.551 19.328 97 H HIS 89 H HIS 89 11.577 11.646 21.666 98 HA HIS 89 HA HIS 89 12.555 12.690 24.158 99 HB2 HIS 89 HB2 HIS 89 14.128 12.079 21.614 100 HB3 HIS 89 HB3 HIS 89 14.775 12.222 23.244 101 HD1 HIS 89 HD1 HIS 89 13.107 9.737 20.971 102 HD2 HIS 89 HD2 HIS 89 13.962 10.274 25.071 103 HE1 HIS 89 HE1 HIS 89 12.750 7.424 22.117 104 HE2 HIS 89 HE2 HIS 89 13.289 7.775 24.609 105 H THR 90 H THR 90 12.189 14.234 21.002 106 HA THR 90 HA THR 90 13.292 16.800 22.112 107 HB THR 90 HB THR 90 14.075 17.304 19.872 108 HG1 THR 90 HG1 THR 90 13.845 15.905 18.230 109 HG21 THR 90 HG21 THR 90 15.576 15.892 21.327 110 HG22 THR 90 HG22 THR 90 14.909 14.445 20.522 111 HG23 THR 90 HG23 THR 90 15.825 15.646 19.591 112 H GLY 91 H GLY 91 10.536 15.309 20.614 113 HA2 GLY 91 HA2 GLY 91 8.412 16.255 20.318 114 HA3 GLY 91 HA3 GLY 91 9.078 17.883 20.438 115 H GLU 92 H GLU 92 11.095 16.207 18.341 116 HA GLU 92 HA GLU 92 10.281 17.649 16.023 117 HB2 GLU 92 HB2 GLU 92 12.252 15.468 16.661 118 HB3 GLU 92 HB3 GLU 92 11.822 15.683 14.972 119 HG2 GLU 92 HG2 GLU 92 12.473 17.801 14.784 120 HG3 GLU 92 HG3 GLU 92 12.541 18.118 16.536 121 H VAL 93 H VAL 93 9.496 17.078 14.071 122 HA VAL 93 HA VAL 93 8.318 14.396 13.602 123 HB VAL 93 HB VAL 93 7.168 17.083 12.823 124 HG11 VAL 93 HG11 VAL 93 5.139 15.776 12.173 125 HG12 VAL 93 HG12 VAL 93 6.540 15.295 11.213 126 HG13 VAL 93 HG13 VAL 93 5.991 14.271 12.562 127 HG21 VAL 93 HG21 VAL 93 6.920 16.840 15.185 128 HG22 VAL 93 HG22 VAL 93 5.338 16.629 14.418 129 HG23 VAL 93 HG23 VAL 93 6.230 15.200 14.995 130 H ILE 94 H ILE 94 8.626 13.631 11.537 131 HA ILE 94 HA ILE 94 9.736 15.327 9.396 132 HB ILE 94 HB ILE 94 11.482 13.654 8.844 133 HG12 ILE 94 HG12 ILE 94 10.866 12.449 11.563 134 HG13 ILE 94 HG13 ILE 94 10.537 11.707 10.001 135 HG21 ILE 94 HG21 ILE 94 11.924 14.829 11.609 136 HG22 ILE 94 HG22 ILE 94 13.145 14.461 10.373 137 HG23 ILE 94 HG23 ILE 94 11.977 15.753 10.088 138 HD11 ILE 94 HD11 ILE 94 12.943 11.597 9.508 139 HD12 ILE 94 HD12 ILE 94 13.306 12.303 11.109 140 HD13 ILE 94 HD13 ILE 94 12.518 10.728 10.997 141 H GLU 95 H GLU 95 9.756 14.227 7.364 142 HA GLU 95 HA GLU 95 7.933 11.897 6.990 143 HB2 GLU 95 HB2 GLU 95 7.722 14.651 5.703 144 HB3 GLU 95 HB3 GLU 95 7.011 13.209 4.972 145 HG2 GLU 95 HG2 GLU 95 5.499 12.892 6.804 146 HG3 GLU 95 HG3 GLU 95 6.310 14.110 7.786 147 H THR 96 H THR 96 8.591 10.516 5.456 148 HA THR 96 HA THR 96 10.333 11.323 3.212 149 HB THR 96 HB THR 96 12.048 10.829 4.757 150 HG1 THR 96 HG1 THR 96 12.981 9.045 3.801 151 HG21 THR 96 HG21 THR 96 10.580 8.261 5.503 152 HG22 THR 96 HG22 THR 96 12.219 8.709 6.025 153 HG23 THR 96 HG23 THR 96 10.834 9.677 6.559 154 H LYS 97 H LYS 97 10.436 9.678 1.525 155 HA LYS 97 HA LYS 97 8.056 7.880 1.422 156 HB2 LYS 97 HB2 LYS 97 10.129 8.691 -0.660 157 HB3 LYS 97 HB3 LYS 97 8.820 7.529 -0.948 158 HG2 LYS 97 HG2 LYS 97 7.131 9.245 -0.387 159 HG3 LYS 97 HG3 LYS 97 8.410 10.423 -0.076 160 HD2 LYS 97 HD2 LYS 97 7.501 10.870 -2.240 161 HD3 LYS 97 HD3 LYS 97 9.139 10.244 -2.456 162 HE2 LYS 97 HE2 LYS 97 8.207 8.000 -3.018 163 HE3 LYS 97 HE3 LYS 97 6.570 8.601 -2.728 164 HZ1 LYS 97 HZ1 LYS 97 6.901 10.172 -4.593 165 HZ2 LYS 97 HZ2 LYS 97 8.408 9.603 -4.856 166 HZ3 LYS 97 HZ3 LYS 97 7.119 8.639 -5.105 167 H GLY 98 H GLY 98 11.096 7.542 2.681 168 HA2 GLY 98 HA2 GLY 98 11.549 5.389 3.718 169 HA3 GLY 98 HA3 GLY 98 11.094 4.568 2.230 170 H GLY 99 H GLY 99 12.936 7.267 1.378 171 HA2 GLY 99 HA2 GLY 99 15.271 5.709 0.639 172 HA3 GLY 99 HA3 GLY 99 15.034 7.435 0.417 173 H ASN 100 H ASN 100 17.474 6.911 1.007 174 HA ASN 100 HA ASN 100 18.195 6.667 3.781 175 HB2 ASN 100 HB2 ASN 100 19.679 6.033 1.915 176 HB3 ASN 100 HB3 ASN 100 19.765 7.720 1.391 177 HD21 ASN 100 HD22 ASN 100 22.125 7.449 1.646 178 HD22 ASN 100 HD21 ASN 100 22.813 7.605 3.256 179 H HIS 101 H HIS 101 16.805 8.150 4.819 180 HA HIS 101 HA HIS 101 17.349 11.066 4.515 181 HB2 HIS 101 HB2 HIS 101 15.024 10.135 4.349 182 HB3 HIS 101 HB3 HIS 101 15.124 9.623 6.028 183 HD1 HIS 101 HD1 HIS 101 14.815 11.602 7.848 184 HD2 HIS 101 HD2 HIS 101 14.857 12.775 3.802 185 HE1 HIS 101 HE1 HIS 101 14.273 14.131 7.831 186 HE2 HIS 101 HE2 HIS 101 14.230 14.814 5.335 187 H LYS 102 H LYS 102 19.260 11.364 5.564 188 HA LYS 102 HA LYS 102 20.522 10.103 7.560 189 HB2 LYS 102 HB2 LYS 102 21.355 12.003 6.180 190 HB3 LYS 102 HB3 LYS 102 20.456 13.136 7.176 191 HG2 LYS 102 HG2 LYS 102 22.740 13.226 7.800 192 HG3 LYS 102 HG3 LYS 102 21.862 12.505 9.147 193 HD2 LYS 102 HD2 LYS 102 22.723 10.270 8.575 194 HD3 LYS 102 HD3 LYS 102 23.337 10.879 7.032 195 HE2 LYS 102 HE2 LYS 102 25.253 10.729 8.382 196 HE3 LYS 102 HE3 LYS 102 24.864 12.441 8.307 197 HZ1 LYS 102 HZ1 LYS 102 23.774 12.166 10.561 198 HZ2 LYS 102 HZ2 LYS 102 24.302 10.609 10.588 199 HZ3 LYS 102 HZ3 LYS 102 25.373 11.836 10.571 200 H THR 103 H THR 103 18.264 12.772 8.397 201 HA THR 103 HA THR 103 18.551 12.637 11.195 202 HB THR 103 HB THR 103 16.009 13.282 9.636 203 HG1 THR 103 HG1 THR 103 16.881 15.416 9.678 204 HG21 THR 103 HG21 THR 103 16.960 14.287 12.352 205 HG22 THR 103 HG22 THR 103 15.535 14.873 11.459 206 HG23 THR 103 HG23 THR 103 15.569 13.215 12.056 207 H LEU 104 H LEU 104 16.549 10.532 9.135 208 HA LEU 104 HA LEU 104 15.129 9.290 11.404 209 HB2 LEU 104 HB2 LEU 104 14.175 9.439 9.046 210 HB3 LEU 104 HB3 LEU 104 15.464 8.356 8.508 211 HG LEU 104 HG LEU 104 14.567 6.664 10.241 212 HD11 LEU 104 HD11 LEU 104 13.190 8.221 11.592 213 HD12 LEU 104 HD12 LEU 104 12.161 8.528 10.176 214 HD13 LEU 104 HD13 LEU 104 12.223 6.917 10.893 215 HD21 LEU 104 HD21 LEU 104 12.677 7.445 8.001 216 HD22 LEU 104 HD22 LEU 104 14.158 6.478 7.798 217 HD23 LEU 104 HD23 LEU 104 12.821 5.854 8.776 218 H LYS 105 H LYS 105 17.892 8.491 9.205 219 HA LYS 105 HA LYS 105 18.571 6.000 10.326 220 HB2 LYS 105 HB2 LYS 105 19.512 7.285 8.260 221 HB3 LYS 105 HB3 LYS 105 20.669 7.990 9.429 222 HG2 LYS 105 HG2 LYS 105 21.427 5.713 10.039 223 HG3 LYS 105 HG3 LYS 105 20.243 5.016 8.908 224 HD2 LYS 105 HD2 LYS 105 21.367 6.237 7.034 225 HD3 LYS 105 HD3 LYS 105 22.604 6.818 8.149 226 HE2 LYS 105 HE2 LYS 105 21.992 3.872 7.564 227 HE3 LYS 105 HE3 LYS 105 23.244 4.815 6.755 228 HZ1 LYS 105 HZ1 LYS 105 23.212 4.213 9.675 229 HZ2 LYS 105 HZ2 LYS 105 24.201 3.550 8.563 230 HZ3 LYS 105 HZ3 LYS 105 24.343 5.131 8.919 231 H GLU 106 H GLU 106 19.661 9.241 11.312 232 HA GLU 106 HA GLU 106 21.184 8.423 13.532 233 HB2 GLU 106 HB2 GLU 106 19.725 10.971 12.817 234 HB3 GLU 106 HB3 GLU 106 20.352 10.781 14.463 235 HG2 GLU 106 HG2 GLU 106 22.582 10.322 13.642 236 HG3 GLU 106 HG3 GLU 106 22.002 10.357 11.957 237 H TRP 107 H TRP 107 17.682 9.209 13.428 238 HA TRP 107 HA TRP 107 17.205 8.650 16.183 239 HB2 TRP 107 HB2 TRP 107 15.311 8.404 13.816 240 HB3 TRP 107 HB3 TRP 107 14.828 8.329 15.496 241 HD1 TRP 107 HD1 TRP 107 17.322 11.003 15.345 242 HE1 TRP 107 HE1 TRP 107 16.253 13.313 15.186 243 HE3 TRP 107 HE3 TRP 107 12.541 9.612 14.097 244 HZ2 TRP 107 HZ2 TRP 107 13.714 14.428 14.542 245 HZ3 TRP 107 HZ3 TRP 107 10.798 11.357 13.750 246 HH2 TRP 107 HH2 TRP 107 11.383 13.781 13.964 247 H LYS 108 H LYS 108 17.175 6.414 13.386 248 HA LYS 108 HA LYS 108 16.312 4.061 14.852 249 HB2 LYS 108 HB2 LYS 108 17.975 4.325 12.297 250 HB3 LYS 108 HB3 LYS 108 17.274 2.799 12.915 251 HG2 LYS 108 HG2 LYS 108 14.995 3.697 12.654 252 HG3 LYS 108 HG3 LYS 108 15.615 5.246 12.175 253 HD2 LYS 108 HD2 LYS 108 15.311 4.526 10.070 254 HD3 LYS 108 HD3 LYS 108 16.852 3.703 10.278 255 HE2 LYS 108 HE2 LYS 108 15.593 1.662 11.047 256 HE3 LYS 108 HE3 LYS 108 14.068 2.528 10.791 257 HZ1 LYS 108 HZ1 LYS 108 16.051 1.889 8.640 258 HZ2 LYS 108 HZ2 LYS 108 14.632 1.116 8.868 259 HZ3 LYS 108 HZ3 LYS 108 14.632 2.680 8.406 260 H ALA 109 H ALA 109 19.526 5.433 14.223 261 HA ALA 109 HA ALA 109 20.987 3.328 15.567 262 HB1 ALA 109 HB1 ALA 109 21.743 6.221 14.962 263 HB2 ALA 109 HB2 ALA 109 22.866 4.919 15.410 264 HB3 ALA 109 HB3 ALA 109 21.969 4.838 13.879 265 H LYS 110 H LYS 110 19.689 6.462 16.650 266 HA LYS 110 HA LYS 110 20.902 6.353 19.296 267 HB2 LYS 110 HB2 LYS 110 18.832 8.155 18.001 268 HB3 LYS 110 HB3 LYS 110 19.391 8.389 19.664 269 HG2 LYS 110 HG2 LYS 110 21.665 8.755 18.966 270 HG3 LYS 110 HG3 LYS 110 21.320 8.291 17.300 271 HD2 LYS 110 HD2 LYS 110 19.742 10.258 17.119 272 HD3 LYS 110 HD3 LYS 110 20.242 10.745 18.756 273 HE2 LYS 110 HE2 LYS 110 22.623 10.800 17.946 274 HE3 LYS 110 HE3 LYS 110 22.063 10.446 16.300 275 HZ1 LYS 110 HZ1 LYS 110 22.387 12.830 16.619 276 HZ2 LYS 110 HZ2 LYS 110 20.805 12.563 16.372 277 HZ3 LYS 110 HZ3 LYS 110 21.359 12.880 17.884 278 H TRP 111 H TRP 111 17.665 5.529 18.136 279 HA TRP 111 HA TRP 111 16.917 4.666 20.913 280 HB2 TRP 111 HB2 TRP 111 15.253 6.094 18.809 281 HB3 TRP 111 HB3 TRP 111 14.619 5.439 20.311 282 HD1 TRP 111 HD1 TRP 111 15.917 6.341 22.625 283 HE1 TRP 111 HE1 TRP 111 16.739 8.686 23.247 284 HE3 TRP 111 HE3 TRP 111 15.952 8.434 17.970 285 HZ2 TRP 111 HZ2 TRP 111 17.527 11.098 21.868 286 HZ3 TRP 111 HZ3 TRP 111 16.855 10.743 17.641 287 HH2 TRP 111 HH2 TRP 111 17.625 12.076 19.577 288 H GLY 112 H GLY 112 17.421 3.368 17.870 289 HA2 GLY 112 HA2 GLY 112 17.368 1.028 17.607 290 HA3 GLY 112 HA3 GLY 112 15.935 0.886 18.615 291 HA PRO 113 HA PRO 113 14.996 1.909 13.947 292 HB2 PRO 113 HB2 PRO 113 15.184 -0.575 12.645 293 HB3 PRO 113 HB3 PRO 113 16.405 0.727 12.614 294 HG2 PRO 113 HG2 PRO 113 16.338 -1.712 14.359 295 HG3 PRO 113 HG3 PRO 113 17.738 -0.923 13.524 296 HD2 PRO 113 HD2 PRO 113 17.269 -0.589 16.166 297 HD3 PRO 113 HD3 PRO 113 17.884 0.745 15.139 298 H GLU 114 H GLU 114 14.195 -1.049 15.795 299 HA GLU 114 HA GLU 114 11.597 -1.437 14.663 300 HB2 GLU 114 HB2 GLU 114 12.805 -2.273 17.323 301 HB3 GLU 114 HB3 GLU 114 11.218 -2.808 16.746 302 HG2 GLU 114 HG2 GLU 114 12.307 -3.785 14.716 303 HG3 GLU 114 HG3 GLU 114 13.883 -3.332 15.355 304 H ALA 115 H ALA 115 12.741 0.398 17.474 305 HA ALA 115 HA ALA 115 10.141 1.239 18.432 306 HB1 ALA 115 HB1 ALA 115 12.163 1.300 19.834 307 HB2 ALA 115 HB2 ALA 115 12.904 2.493 18.747 308 HB3 ALA 115 HB3 ALA 115 11.465 2.931 19.684 309 H VAL 116 H VAL 116 12.594 2.819 16.316 310 HA VAL 116 HA VAL 116 11.021 5.137 15.752 311 HB VAL 116 HB VAL 116 13.254 3.844 14.158 312 HG11 VAL 116 HG11 VAL 116 13.539 6.113 13.149 313 HG12 VAL 116 HG12 VAL 116 12.012 5.353 12.674 314 HG13 VAL 116 HG13 VAL 116 12.020 6.628 13.915 315 HG21 VAL 116 HG21 VAL 116 13.906 4.615 16.476 316 HG22 VAL 116 HG22 VAL 116 14.612 5.608 15.209 317 HG23 VAL 116 HG23 VAL 116 13.219 6.194 16.118 318 H GLU 117 H GLU 117 11.118 1.975 13.963 319 HA GLU 117 HA GLU 117 9.209 2.907 11.984 320 HB2 GLU 117 HB2 GLU 117 10.066 0.146 12.934 321 HB3 GLU 117 HB3 GLU 117 8.778 0.353 11.751 322 HG2 GLU 117 HG2 GLU 117 11.636 1.344 11.419 323 HG3 GLU 117 HG3 GLU 117 10.941 -0.086 10.665 324 H SER 118 H SER 118 8.818 1.719 15.294 325 HA SER 118 HA SER 118 5.940 1.389 15.131 326 HB2 SER 118 HB2 SER 118 7.292 0.373 16.853 327 HB3 SER 118 HB3 SER 118 7.584 1.970 17.586 328 HG SER 118 HG SER 118 5.789 0.812 18.528 329 H TRP 119 H TRP 119 8.078 4.212 15.519 330 HA TRP 119 HA TRP 119 5.952 6.095 16.173 331 HB2 TRP 119 HB2 TRP 119 8.600 6.741 14.847 332 HB3 TRP 119 HB3 TRP 119 7.534 7.820 15.703 333 HD1 TRP 119 HD1 TRP 119 7.421 5.444 18.195 334 HE1 TRP 119 HE1 TRP 119 9.310 5.567 19.906 335 HE3 TRP 119 HE3 TRP 119 10.745 8.369 15.556 336 HZ2 TRP 119 HZ2 TRP 119 11.961 6.644 20.070 337 HZ3 TRP 119 HZ3 TRP 119 12.881 9.050 16.615 338 HH2 TRP 119 HH2 TRP 119 13.527 8.175 18.839 339 H ALA 120 H ALA 120 6.802 4.456 13.240 340 HA ALA 120 HA ALA 120 6.330 6.539 11.377 341 HB1 ALA 120 HB1 ALA 120 5.919 3.581 10.829 342 HB2 ALA 120 HB2 ALA 120 6.354 4.853 9.681 343 HB3 ALA 120 HB3 ALA 120 7.518 4.347 10.921 344 H THR 121 H THR 121 4.579 7.195 10.207 345 HA THR 121 HA THR 121 1.997 5.701 10.269 346 HB THR 121 HB THR 121 0.927 8.085 10.180 347 HG1 THR 121 HG1 THR 121 3.289 8.611 11.665 348 HG21 THR 121 HG21 THR 121 0.474 6.493 11.985 349 HG22 THR 121 HG22 THR 121 1.950 7.022 12.837 350 HG23 THR 121 HG23 THR 121 0.597 8.151 12.591 351 H LEU 122 H LEU 122 1.477 5.149 8.367 352 HA LEU 122 HA LEU 122 2.603 6.302 5.938 353 HB2 LEU 122 HB2 LEU 122 0.499 4.228 6.641 354 HB3 LEU 122 HB3 LEU 122 0.806 4.676 4.960 355 HG LEU 122 HG LEU 122 3.014 3.680 6.814 356 HD11 LEU 122 HD11 LEU 122 1.286 1.937 6.627 357 HD12 LEU 122 HD12 LEU 122 1.303 2.081 4.858 358 HD13 LEU 122 HD13 LEU 122 2.741 1.483 5.726 359 HD21 LEU 122 HD21 LEU 122 2.755 3.810 3.764 360 HD22 LEU 122 HD22 LEU 122 3.762 4.890 4.749 361 HD23 LEU 122 HD23 LEU 122 4.146 3.165 4.655 362 H LEU 123 H LEU 123 1.941 8.129 5.018 363 HA LEU 123 HA LEU 123 -0.640 9.356 5.737 364 HB2 LEU 123 HB2 LEU 123 1.487 10.291 3.768 365 HB3 LEU 123 HB3 LEU 123 0.136 11.234 4.391 366 HG LEU 123 HG LEU 123 2.588 10.298 5.935 367 HD11 LEU 123 HD11 LEU 123 2.797 12.323 4.504 368 HD12 LEU 123 HD12 LEU 123 1.443 13.064 5.379 369 HD13 LEU 123 HD13 LEU 123 2.954 12.686 6.229 370 HD21 LEU 123 HD21 LEU 123 1.592 11.554 7.873 371 HD22 LEU 123 HD22 LEU 123 0.061 11.656 6.986 372 HD23 LEU 123 HD23 LEU 123 0.719 10.075 7.486 373 H GLY 124 H GLY 124 -2.210 10.066 4.185 374 HA2 GLY 124 HA2 GLY 124 -2.303 8.927 1.473 375 HA3 GLY 124 HA3 GLY 124 -3.368 8.130 2.637 376 H HIS 125 H HIS 125 -2.603 11.625 2.509 377 HA HIS 125 HA HIS 125 -5.256 12.337 1.427 378 HB2 HIS 125 HB2 HIS 125 -5.773 12.043 3.689 379 HB3 HIS 125 HB3 HIS 125 -4.401 13.017 4.236 380 HD1 HIS 125 HD1 HIS 125 -4.654 15.724 3.853 381 HD2 HIS 125 HD2 HIS 125 -7.991 13.303 2.934 382 HE1 HIS 125 HE1 HIS 125 -6.679 17.322 3.641 383 HE2 HIS 125 HE2 HIS 125 -8.708 15.833 3.085 Start of MODEL 9 1 H ALA 79 H1 ALA 79 3.733 0.331 1.078 2 HA ALA 79 HA ALA 79 2.987 0.059 -1.774 3 HB1 ALA 79 HB1 ALA 79 1.460 1.475 0.474 4 HB2 ALA 79 HB2 ALA 79 0.993 1.421 -1.239 5 HB3 ALA 79 HB3 ALA 79 1.002 -0.064 -0.286 6 H ARG 80 H ARG 80 2.694 2.212 -2.852 7 HA ARG 80 HA ARG 80 5.110 3.852 -2.528 8 HB2 ARG 80 HB2 ARG 80 2.866 4.007 -4.543 9 HB3 ARG 80 HB3 ARG 80 4.381 4.940 -4.534 10 HG2 ARG 80 HG2 ARG 80 5.676 2.817 -4.538 11 HG3 ARG 80 HG3 ARG 80 4.180 1.903 -4.740 12 HD2 ARG 80 HD2 ARG 80 5.211 4.034 -6.658 13 HD3 ARG 80 HD3 ARG 80 5.415 2.285 -6.870 14 HE ARG 80 HE ARG 80 2.660 2.667 -6.559 15 HH11 ARG 80 HH11 ARG 80 5.050 3.681 -8.913 16 HH12 ARG 80 HH12 ARG 80 3.875 3.776 -10.202 17 HH21 ARG 80 HH21 ARG 80 1.212 2.822 -8.241 18 HH22 ARG 80 HH22 ARG 80 1.760 3.302 -9.821 19 H LYS 81 H LYS 81 4.340 4.416 -0.275 20 HA LYS 81 HA LYS 81 2.809 7.007 -0.225 21 HB2 LYS 81 HB2 LYS 81 2.439 4.540 1.540 22 HB3 LYS 81 HB3 LYS 81 1.841 6.143 1.988 23 HG2 LYS 81 HG2 LYS 81 0.468 6.231 -0.071 24 HG3 LYS 81 HG3 LYS 81 1.019 4.599 -0.508 25 HD2 LYS 81 HD2 LYS 81 0.015 3.688 1.563 26 HD3 LYS 81 HD3 LYS 81 -0.517 5.315 2.032 27 HE2 LYS 81 HE2 LYS 81 -1.886 5.473 -0.040 28 HE3 LYS 81 HE3 LYS 81 -1.362 3.858 -0.524 29 HZ1 LYS 81 HZ1 LYS 81 -3.536 3.800 0.567 30 HZ2 LYS 81 HZ2 LYS 81 -2.465 2.976 1.484 31 HZ3 LYS 81 HZ3 LYS 81 -2.949 4.478 1.926 32 H VAL 82 H VAL 82 3.202 8.355 1.483 33 HA VAL 82 HA VAL 82 6.009 8.497 2.360 34 HB VAL 82 HB VAL 82 3.574 10.263 2.835 35 HG11 VAL 82 HG11 VAL 82 6.458 10.778 3.697 36 HG12 VAL 82 HG12 VAL 82 5.187 12.011 3.619 37 HG13 VAL 82 HG13 VAL 82 5.016 10.673 4.745 38 HG21 VAL 82 HG21 VAL 82 4.700 11.803 1.287 39 HG22 VAL 82 HG22 VAL 82 6.077 10.695 1.144 40 HG23 VAL 82 HG23 VAL 82 4.482 10.232 0.504 41 H LYS 83 H LYS 83 6.809 8.067 4.360 42 HA LYS 83 HA LYS 83 4.935 7.304 6.583 43 HB2 LYS 83 HB2 LYS 83 7.839 6.576 6.041 44 HB3 LYS 83 HB3 LYS 83 7.118 6.482 7.659 45 HG2 LYS 83 HG2 LYS 83 5.363 4.964 6.835 46 HG3 LYS 83 HG3 LYS 83 6.099 4.981 5.218 47 HD2 LYS 83 HD2 LYS 83 8.126 3.945 6.051 48 HD3 LYS 83 HD3 LYS 83 7.609 4.132 7.736 49 HE2 LYS 83 HE2 LYS 83 5.770 2.578 7.437 50 HE3 LYS 83 HE3 LYS 83 6.104 2.442 5.703 51 HZ1 LYS 83 HZ1 LYS 83 8.240 1.415 6.224 52 HZ2 LYS 83 HZ2 LYS 83 8.028 1.577 7.837 53 HZ3 LYS 83 HZ3 LYS 83 7.067 0.567 6.976 54 H GLN 84 H GLN 84 4.542 8.847 7.904 55 HA GLN 84 HA GLN 84 6.389 11.116 8.449 56 HB2 GLN 84 HB2 GLN 84 4.051 11.666 8.151 57 HB3 GLN 84 HB3 GLN 84 3.544 10.359 9.204 58 HG2 GLN 84 HG2 GLN 84 4.588 11.567 11.153 59 HG3 GLN 84 HG3 GLN 84 4.994 12.900 10.058 60 HE21 GLN 84 HE22 GLN 84 2.148 10.850 11.031 61 HE22 GLN 84 HE21 GLN 84 1.019 12.209 11.041 62 H TYR 85 H TYR 85 7.386 11.319 10.454 63 HA TYR 85 HA TYR 85 7.023 9.165 12.502 64 HB2 TYR 85 HB2 TYR 85 9.697 10.235 11.514 65 HB3 TYR 85 HB3 TYR 85 9.474 9.144 12.858 66 HD1 TYR 85 HD2 TYR 85 9.211 9.435 9.136 67 HD2 TYR 85 HD1 TYR 85 9.353 6.794 12.542 68 HE1 TYR 85 HE2 TYR 85 9.660 7.507 7.632 69 HE2 TYR 85 HE1 TYR 85 9.847 4.874 11.047 70 HH TYR 85 HH TYR 85 10.300 4.219 8.898 71 H LYS 86 H LYS 86 7.454 9.855 14.619 72 HA LYS 86 HA LYS 86 8.128 12.727 15.099 73 HB2 LYS 86 HB2 LYS 86 5.675 12.429 15.262 74 HB3 LYS 86 HB3 LYS 86 5.903 11.124 16.440 75 HG2 LYS 86 HG2 LYS 86 6.862 12.667 18.066 76 HG3 LYS 86 HG3 LYS 86 6.843 13.990 16.889 77 HD2 LYS 86 HD2 LYS 86 4.364 13.861 16.794 78 HD3 LYS 86 HD3 LYS 86 4.391 12.545 17.989 79 HE2 LYS 86 HE2 LYS 86 5.502 14.063 19.621 80 HE3 LYS 86 HE3 LYS 86 5.479 15.372 18.434 81 HZ1 LYS 86 HZ1 LYS 86 3.035 15.278 18.468 82 HZ2 LYS 86 HZ2 LYS 86 3.047 14.061 19.564 83 HZ3 LYS 86 HZ3 LYS 86 3.593 15.540 19.977 84 H ASN 87 H ASN 87 9.536 13.049 16.733 85 HA ASN 87 HA ASN 87 10.444 10.647 18.301 86 HB2 ASN 87 HB2 ASN 87 12.079 11.550 16.708 87 HB3 ASN 87 HB3 ASN 87 12.090 13.081 17.578 88 HD21 ASN 87 HD22 ASN 87 14.464 11.725 17.304 89 HD22 ASN 87 HD21 ASN 87 14.900 10.981 18.839 90 HA PRO 88 HA PRO 88 8.328 13.368 21.338 91 HB2 PRO 88 HB2 PRO 88 7.872 11.447 23.289 92 HB3 PRO 88 HB3 PRO 88 6.835 11.747 21.868 93 HG2 PRO 88 HG2 PRO 88 9.015 9.663 22.168 94 HG3 PRO 88 HG3 PRO 88 7.351 9.443 21.540 95 HD2 PRO 88 HD2 PRO 88 9.442 9.738 19.873 96 HD3 PRO 88 HD3 PRO 88 7.884 10.538 19.504 97 H HIS 89 H HIS 89 11.314 11.631 21.640 98 HA HIS 89 HA HIS 89 12.136 12.642 24.229 99 HB2 HIS 89 HB2 HIS 89 13.916 11.744 21.925 100 HB3 HIS 89 HB3 HIS 89 14.323 11.801 23.636 101 HD1 HIS 89 HD1 HIS 89 12.729 9.562 21.075 102 HD2 HIS 89 HD2 HIS 89 12.955 9.979 25.276 103 HE1 HIS 89 HE1 HIS 89 11.823 7.340 22.098 104 HE2 HIS 89 HE2 HIS 89 12.007 7.610 24.649 105 H THR 90 H THR 90 12.121 14.054 21.015 106 HA THR 90 HA THR 90 13.577 16.481 22.014 107 HB THR 90 HB THR 90 14.377 16.783 19.734 108 HG1 THR 90 HG1 THR 90 13.907 15.230 18.182 109 HG21 THR 90 HG21 THR 90 15.865 14.875 19.492 110 HG22 THR 90 HG22 THR 90 15.690 15.224 21.223 111 HG23 THR 90 HG23 THR 90 14.804 13.861 20.495 112 H GLY 91 H GLY 91 10.712 15.306 20.379 113 HA2 GLY 91 HA2 GLY 91 8.663 16.506 20.261 114 HA3 GLY 91 HA3 GLY 91 9.537 18.042 20.292 115 H GLU 92 H GLU 92 11.327 16.249 18.163 116 HA GLU 92 HA GLU 92 10.404 17.693 15.883 117 HB2 GLU 92 HB2 GLU 92 12.509 15.639 16.480 118 HB3 GLU 92 HB3 GLU 92 11.983 15.759 14.802 119 HG2 GLU 92 HG2 GLU 92 12.409 17.989 14.606 120 HG3 GLU 92 HG3 GLU 92 12.745 18.204 16.352 121 H VAL 93 H VAL 93 9.529 17.113 13.978 122 HA VAL 93 HA VAL 93 8.420 14.395 13.556 123 HB VAL 93 HB VAL 93 7.194 17.057 12.780 124 HG11 VAL 93 HG11 VAL 93 5.181 15.722 12.176 125 HG12 VAL 93 HG12 VAL 93 6.569 15.242 11.199 126 HG13 VAL 93 HG13 VAL 93 6.061 14.226 12.569 127 HG21 VAL 93 HG21 VAL 93 5.412 16.578 14.418 128 HG22 VAL 93 HG22 VAL 93 6.340 15.163 14.982 129 HG23 VAL 93 HG23 VAL 93 7.000 16.809 15.155 130 H ILE 94 H ILE 94 8.706 13.615 11.497 131 HA ILE 94 HA ILE 94 9.752 15.314 9.321 132 HB ILE 94 HB ILE 94 11.523 13.666 8.766 133 HG12 ILE 94 HG12 ILE 94 10.953 12.469 11.500 134 HG13 ILE 94 HG13 ILE 94 10.599 11.706 9.947 135 HG21 ILE 94 HG21 ILE 94 13.177 14.517 10.288 136 HG22 ILE 94 HG22 ILE 94 11.978 15.780 10.001 137 HG23 ILE 94 HG23 ILE 94 11.957 14.867 11.528 138 HD11 ILE 94 HD11 ILE 94 13.382 12.345 11.006 139 HD12 ILE 94 HD12 ILE 94 12.612 10.762 10.899 140 HD13 ILE 94 HD13 ILE 94 13.001 11.636 9.406 141 H GLU 95 H GLU 95 9.758 14.203 7.303 142 HA GLU 95 HA GLU 95 7.926 11.874 6.952 143 HB2 GLU 95 HB2 GLU 95 7.723 14.622 5.641 144 HB3 GLU 95 HB3 GLU 95 6.985 13.175 4.948 145 HG2 GLU 95 HG2 GLU 95 5.496 12.912 6.794 146 HG3 GLU 95 HG3 GLU 95 6.342 14.133 7.754 147 H THR 96 H THR 96 8.563 10.477 5.450 148 HA THR 96 HA THR 96 10.282 11.263 3.180 149 HB THR 96 HB THR 96 12.011 10.809 4.726 150 HG1 THR 96 HG1 THR 96 12.974 9.051 3.770 151 HG21 THR 96 HG21 THR 96 10.822 9.643 6.531 152 HG22 THR 96 HG22 THR 96 10.578 8.228 5.478 153 HG23 THR 96 HG23 THR 96 12.217 8.694 5.993 154 H LYS 97 H LYS 97 10.436 9.581 1.541 155 HA LYS 97 HA LYS 97 8.062 7.760 1.444 156 HB2 LYS 97 HB2 LYS 97 10.134 8.595 -0.631 157 HB3 LYS 97 HB3 LYS 97 8.855 7.406 -0.927 158 HG2 LYS 97 HG2 LYS 97 7.112 9.061 -0.458 159 HG3 LYS 97 HG3 LYS 97 8.325 10.273 -0.038 160 HD2 LYS 97 HD2 LYS 97 7.514 10.736 -2.259 161 HD3 LYS 97 HD3 LYS 97 9.208 10.232 -2.352 162 HE2 LYS 97 HE2 LYS 97 8.484 7.946 -3.037 163 HE3 LYS 97 HE3 LYS 97 6.791 8.442 -2.909 164 HZ1 LYS 97 HZ1 LYS 97 7.197 10.075 -4.682 165 HZ2 LYS 97 HZ2 LYS 97 8.767 9.621 -4.805 166 HZ3 LYS 97 HZ3 LYS 97 7.576 8.582 -5.208 167 H GLY 98 H GLY 98 11.118 7.514 2.702 168 HA2 GLY 98 HA2 GLY 98 11.636 5.383 3.768 169 HA3 GLY 98 HA3 GLY 98 11.204 4.536 2.287 170 H GLY 99 H GLY 99 12.975 7.305 1.434 171 HA2 GLY 99 HA2 GLY 99 15.348 5.802 0.676 172 HA3 GLY 99 HA3 GLY 99 15.061 7.523 0.453 173 H ASN 100 H ASN 100 17.515 7.059 1.034 174 HA ASN 100 HA ASN 100 18.269 6.823 3.799 175 HB2 ASN 100 HB2 ASN 100 19.744 6.234 1.908 176 HB3 ASN 100 HB3 ASN 100 19.773 7.919 1.386 177 HD21 ASN 100 HD22 ASN 100 22.119 7.892 1.606 178 HD22 ASN 100 HD21 ASN 100 22.830 7.996 3.208 179 H HIS 101 H HIS 101 16.840 8.282 4.855 180 HA HIS 101 HA HIS 101 17.372 11.210 4.576 181 HB2 HIS 101 HB2 HIS 101 15.061 10.265 4.367 182 HB3 HIS 101 HB3 HIS 101 15.129 9.759 6.055 183 HD1 HIS 101 HD1 HIS 101 14.966 11.792 7.875 184 HD2 HIS 101 HD2 HIS 101 14.748 12.863 3.806 185 HE1 HIS 101 HE1 HIS 101 14.414 14.319 7.829 186 HE2 HIS 101 HE2 HIS 101 14.196 14.937 5.331 187 H LYS 102 H LYS 102 19.275 11.493 5.682 188 HA LYS 102 HA LYS 102 20.441 10.178 7.723 189 HB2 LYS 102 HB2 LYS 102 21.447 11.997 6.407 190 HB3 LYS 102 HB3 LYS 102 20.479 13.190 7.258 191 HG2 LYS 102 HG2 LYS 102 22.737 13.250 8.070 192 HG3 LYS 102 HG3 LYS 102 21.694 12.684 9.367 193 HD2 LYS 102 HD2 LYS 102 22.452 10.355 8.994 194 HD3 LYS 102 HD3 LYS 102 23.417 10.891 7.594 195 HE2 LYS 102 HE2 LYS 102 24.702 12.419 9.112 196 HE3 LYS 102 HE3 LYS 102 23.782 11.813 10.489 197 HZ1 LYS 102 HZ1 LYS 102 25.565 10.159 8.763 198 HZ2 LYS 102 HZ2 LYS 102 25.920 10.672 10.265 199 HZ3 LYS 102 HZ3 LYS 102 24.719 9.590 10.050 200 H THR 103 H THR 103 18.157 12.856 8.477 201 HA THR 103 HA THR 103 18.381 12.745 11.282 202 HB THR 103 HB THR 103 15.758 13.228 9.823 203 HG1 THR 103 HG1 THR 103 17.829 15.133 10.103 204 HG21 THR 103 HG21 THR 103 16.961 14.562 12.282 205 HG22 THR 103 HG22 THR 103 15.443 15.027 11.472 206 HG23 THR 103 HG23 THR 103 15.583 13.442 12.248 207 H LEU 104 H LEU 104 16.497 10.582 9.186 208 HA LEU 104 HA LEU 104 15.053 9.309 11.419 209 HB2 LEU 104 HB2 LEU 104 14.147 9.459 9.033 210 HB3 LEU 104 HB3 LEU 104 15.457 8.401 8.518 211 HG LEU 104 HG LEU 104 14.567 6.676 10.200 212 HD11 LEU 104 HD11 LEU 104 13.176 8.182 11.585 213 HD12 LEU 104 HD12 LEU 104 12.153 8.535 10.172 214 HD13 LEU 104 HD13 LEU 104 12.212 6.902 10.845 215 HD21 LEU 104 HD21 LEU 104 12.663 7.479 7.979 216 HD22 LEU 104 HD22 LEU 104 14.161 6.541 7.751 217 HD23 LEU 104 HD23 LEU 104 12.837 5.874 8.721 218 H LYS 105 H LYS 105 17.866 8.575 9.270 219 HA LYS 105 HA LYS 105 18.565 6.092 10.397 220 HB2 LYS 105 HB2 LYS 105 19.520 7.381 8.336 221 HB3 LYS 105 HB3 LYS 105 20.652 8.104 9.519 222 HG2 LYS 105 HG2 LYS 105 21.427 5.849 10.156 223 HG3 LYS 105 HG3 LYS 105 20.245 5.115 9.045 224 HD2 LYS 105 HD2 LYS 105 21.377 6.187 7.117 225 HD3 LYS 105 HD3 LYS 105 22.566 6.924 8.220 226 HE2 LYS 105 HE2 LYS 105 23.264 4.655 8.971 227 HE3 LYS 105 HE3 LYS 105 22.074 3.927 7.890 228 HZ1 LYS 105 HZ1 LYS 105 24.402 5.563 6.994 229 HZ2 LYS 105 HZ2 LYS 105 24.272 3.942 6.861 230 HZ3 LYS 105 HZ3 LYS 105 23.282 4.905 5.994 231 H GLU 106 H GLU 106 19.604 9.352 11.412 232 HA GLU 106 HA GLU 106 21.151 8.569 13.622 233 HB2 GLU 106 HB2 GLU 106 19.519 11.032 12.950 234 HB3 GLU 106 HB3 GLU 106 20.136 10.852 14.590 235 HG2 GLU 106 HG2 GLU 106 22.419 10.501 13.684 236 HG3 GLU 106 HG3 GLU 106 21.784 10.796 12.044 237 H TRP 107 H TRP 107 17.619 9.130 13.500 238 HA TRP 107 HA TRP 107 17.213 8.545 16.271 239 HB2 TRP 107 HB2 TRP 107 15.266 8.373 13.948 240 HB3 TRP 107 HB3 TRP 107 14.832 8.262 15.642 241 HD1 TRP 107 HD1 TRP 107 17.296 10.882 15.709 242 HE1 TRP 107 HE1 TRP 107 16.299 13.221 15.510 243 HE3 TRP 107 HE3 TRP 107 12.598 9.642 14.018 244 HZ2 TRP 107 HZ2 TRP 107 13.854 14.414 14.689 245 HZ3 TRP 107 HZ3 TRP 107 10.935 11.439 13.601 246 HH2 TRP 107 HH2 TRP 107 11.563 13.843 13.905 247 H LYS 108 H LYS 108 17.137 6.401 13.404 248 HA LYS 108 HA LYS 108 16.337 4.004 14.831 249 HB2 LYS 108 HB2 LYS 108 18.002 4.325 12.289 250 HB3 LYS 108 HB3 LYS 108 17.303 2.789 12.871 251 HG2 LYS 108 HG2 LYS 108 15.020 3.689 12.604 252 HG3 LYS 108 HG3 LYS 108 15.650 5.247 12.145 253 HD2 LYS 108 HD2 LYS 108 15.363 4.543 10.028 254 HD3 LYS 108 HD3 LYS 108 16.902 3.711 10.250 255 HE2 LYS 108 HE2 LYS 108 15.624 1.668 10.987 256 HE3 LYS 108 HE3 LYS 108 14.107 2.550 10.720 257 HZ1 LYS 108 HZ1 LYS 108 14.694 1.139 8.804 258 HZ2 LYS 108 HZ2 LYS 108 14.696 2.703 8.346 259 HZ3 LYS 108 HZ3 LYS 108 16.113 1.913 8.590 260 H ALA 109 H ALA 109 19.503 5.483 14.230 261 HA ALA 109 HA ALA 109 21.050 3.386 15.479 262 HB1 ALA 109 HB1 ALA 109 21.955 5.028 13.862 263 HB2 ALA 109 HB2 ALA 109 21.689 6.339 15.034 264 HB3 ALA 109 HB3 ALA 109 22.862 5.048 15.385 265 H LYS 110 H LYS 110 19.585 6.376 16.725 266 HA LYS 110 HA LYS 110 20.812 5.976 19.389 267 HB2 LYS 110 HB2 LYS 110 19.372 8.320 18.111 268 HB3 LYS 110 HB3 LYS 110 19.885 8.300 19.802 269 HG2 LYS 110 HG2 LYS 110 22.205 7.796 19.127 270 HG3 LYS 110 HG3 LYS 110 21.769 7.868 17.427 271 HD2 LYS 110 HD2 LYS 110 21.381 10.228 19.317 272 HD3 LYS 110 HD3 LYS 110 22.913 9.897 18.500 273 HE2 LYS 110 HE2 LYS 110 21.746 9.994 16.282 274 HE3 LYS 110 HE3 LYS 110 20.244 10.430 17.119 275 HZ1 LYS 110 HZ1 LYS 110 21.273 12.479 17.853 276 HZ2 LYS 110 HZ2 LYS 110 22.759 12.022 17.343 277 HZ3 LYS 110 HZ3 LYS 110 21.613 12.373 16.244 278 H TRP 111 H TRP 111 17.621 5.423 18.147 279 HA TRP 111 HA TRP 111 16.800 4.655 20.932 280 HB2 TRP 111 HB2 TRP 111 15.152 6.021 18.777 281 HB3 TRP 111 HB3 TRP 111 14.456 5.241 20.189 282 HD1 TRP 111 HD1 TRP 111 15.016 6.237 22.616 283 HE1 TRP 111 HE1 TRP 111 15.691 8.577 23.421 284 HE3 TRP 111 HE3 TRP 111 16.366 8.243 18.145 285 HZ2 TRP 111 HZ2 TRP 111 16.764 11.008 22.259 286 HZ3 TRP 111 HZ3 TRP 111 17.300 10.566 18.012 287 HH2 TRP 111 HH2 TRP 111 17.476 11.953 20.058 288 H GLY 112 H GLY 112 17.372 3.421 17.836 289 HA2 GLY 112 HA2 GLY 112 17.430 1.077 17.512 290 HA3 GLY 112 HA3 GLY 112 16.017 0.850 18.529 291 HA PRO 113 HA PRO 113 15.016 1.899 13.882 292 HB2 PRO 113 HB2 PRO 113 15.208 -0.585 12.584 293 HB3 PRO 113 HB3 PRO 113 16.427 0.715 12.557 294 HG2 PRO 113 HG2 PRO 113 16.362 -1.735 14.290 295 HG3 PRO 113 HG3 PRO 113 17.756 -0.934 13.464 296 HD2 PRO 113 HD2 PRO 113 17.254 -0.638 16.116 297 HD3 PRO 113 HD3 PRO 113 17.912 0.694 15.116 298 H GLU 114 H GLU 114 14.222 -1.085 15.716 299 HA GLU 114 HA GLU 114 11.619 -1.458 14.597 300 HB2 GLU 114 HB2 GLU 114 12.834 -2.310 17.250 301 HB3 GLU 114 HB3 GLU 114 11.251 -2.850 16.672 302 HG2 GLU 114 HG2 GLU 114 12.327 -3.823 14.645 303 HG3 GLU 114 HG3 GLU 114 13.910 -3.359 15.269 304 H ALA 115 H ALA 115 12.781 0.359 17.404 305 HA ALA 115 HA ALA 115 10.199 1.198 18.400 306 HB1 ALA 115 HB1 ALA 115 12.954 2.470 18.678 307 HB2 ALA 115 HB2 ALA 115 11.523 2.867 19.651 308 HB3 ALA 115 HB3 ALA 115 12.253 1.249 19.759 309 H VAL 116 H VAL 116 12.612 2.797 16.250 310 HA VAL 116 HA VAL 116 11.027 5.111 15.723 311 HB VAL 116 HB VAL 116 13.232 3.817 14.087 312 HG11 VAL 116 HG11 VAL 116 13.504 6.088 13.072 313 HG12 VAL 116 HG12 VAL 116 11.976 5.320 12.619 314 HG13 VAL 116 HG13 VAL 116 11.996 6.598 13.857 315 HG21 VAL 116 HG21 VAL 116 14.614 5.564 15.111 316 HG22 VAL 116 HG22 VAL 116 13.237 6.192 16.022 317 HG23 VAL 116 HG23 VAL 116 13.899 4.608 16.404 318 H GLU 117 H GLU 117 11.122 1.962 13.915 319 HA GLU 117 HA GLU 117 9.192 2.881 11.963 320 HB2 GLU 117 HB2 GLU 117 10.054 0.120 12.913 321 HB3 GLU 117 HB3 GLU 117 8.760 0.329 11.737 322 HG2 GLU 117 HG2 GLU 117 11.620 1.302 11.391 323 HG3 GLU 117 HG3 GLU 117 10.913 -0.122 10.634 324 H SER 118 H SER 118 8.836 1.707 15.277 325 HA SER 118 HA SER 118 5.954 1.363 15.135 326 HB2 SER 118 HB2 SER 118 7.311 0.326 16.838 327 HB3 SER 118 HB3 SER 118 7.615 1.912 17.582 328 HG SER 118 HG SER 118 5.824 0.766 18.539 329 H TRP 119 H TRP 119 8.088 4.186 15.546 330 HA TRP 119 HA TRP 119 5.964 6.054 16.244 331 HB2 TRP 119 HB2 TRP 119 8.575 6.735 14.877 332 HB3 TRP 119 HB3 TRP 119 7.528 7.789 15.788 333 HD1 TRP 119 HD1 TRP 119 7.546 5.329 18.228 334 HE1 TRP 119 HE1 TRP 119 9.511 5.444 19.865 335 HE3 TRP 119 HE3 TRP 119 10.691 8.392 15.541 336 HZ2 TRP 119 HZ2 TRP 119 12.160 6.574 19.938 337 HZ3 TRP 119 HZ3 TRP 119 12.857 9.085 16.514 338 HH2 TRP 119 HH2 TRP 119 13.618 8.171 18.685 339 H ALA 120 H ALA 120 6.796 4.456 13.276 340 HA ALA 120 HA ALA 120 6.314 6.561 11.447 341 HB1 ALA 120 HB1 ALA 120 7.482 4.369 10.959 342 HB2 ALA 120 HB2 ALA 120 5.878 3.618 10.865 343 HB3 ALA 120 HB3 ALA 120 6.319 4.908 9.728 344 H THR 121 H THR 121 4.575 7.215 10.251 345 HA THR 121 HA THR 121 1.965 5.776 10.361 346 HB THR 121 HB THR 121 0.947 8.184 10.248 347 HG1 THR 121 HG1 THR 121 3.326 8.690 11.715 348 HG21 THR 121 HG21 THR 121 1.968 7.122 12.904 349 HG22 THR 121 HG22 THR 121 0.657 8.301 12.668 350 HG23 THR 121 HG23 THR 121 0.464 6.646 12.078 351 H LEU 122 H LEU 122 1.317 5.262 8.487 352 HA LEU 122 HA LEU 122 2.507 6.309 6.035 353 HB2 LEU 122 HB2 LEU 122 0.379 4.271 6.765 354 HB3 LEU 122 HB3 LEU 122 0.705 4.684 5.077 355 HG LEU 122 HG LEU 122 2.892 3.710 6.963 356 HD11 LEU 122 HD11 LEU 122 1.154 2.071 5.056 357 HD12 LEU 122 HD12 LEU 122 2.594 1.479 5.923 358 HD13 LEU 122 HD13 LEU 122 1.158 1.970 6.834 359 HD21 LEU 122 HD21 LEU 122 3.639 4.848 4.850 360 HD22 LEU 122 HD22 LEU 122 4.019 3.118 4.822 361 HD23 LEU 122 HD23 LEU 122 2.632 3.730 3.906 362 H LEU 123 H LEU 123 1.891 8.157 5.117 363 HA LEU 123 HA LEU 123 -0.667 9.433 5.803 364 HB2 LEU 123 HB2 LEU 123 1.463 10.284 3.794 365 HB3 LEU 123 HB3 LEU 123 0.145 11.270 4.416 366 HG LEU 123 HG LEU 123 2.608 10.318 5.935 367 HD11 LEU 123 HD11 LEU 123 1.483 13.087 5.358 368 HD12 LEU 123 HD12 LEU 123 3.004 12.711 6.191 369 HD13 LEU 123 HD13 LEU 123 2.819 12.316 4.477 370 HD21 LEU 123 HD21 LEU 123 0.101 11.705 7.005 371 HD22 LEU 123 HD22 LEU 123 0.774 10.144 7.539 372 HD23 LEU 123 HD23 LEU 123 1.651 11.639 7.872 373 H GLY 124 H GLY 124 -2.185 10.214 4.173 374 HA2 GLY 124 HA2 GLY 124 -2.319 8.916 1.537 375 HA3 GLY 124 HA3 GLY 124 -3.465 8.300 2.732 376 H HIS 125 H HIS 125 -2.365 11.677 2.292 377 HA HIS 125 HA HIS 125 -4.920 12.560 1.156 378 HB2 HIS 125 HB2 HIS 125 -5.344 14.177 2.995 379 HB3 HIS 125 HB3 HIS 125 -5.577 12.497 3.448 380 HD1 HIS 125 HD1 HIS 125 -2.163 14.287 3.524 381 HD2 HIS 125 HD2 HIS 125 -5.170 12.736 6.040 382 HE1 HIS 125 HE1 HIS 125 -1.237 14.445 5.955 383 HE2 HIS 125 HE2 HIS 125 -3.094 13.470 7.476 Start of MODEL 10 1 H ALA 79 H1 ALA 79 3.722 0.349 0.520 2 HA ALA 79 HA ALA 79 3.884 0.346 -2.429 3 HB1 ALA 79 HB1 ALA 79 1.952 1.881 -2.391 4 HB2 ALA 79 HB2 ALA 79 1.532 0.374 -1.582 5 HB3 ALA 79 HB3 ALA 79 1.897 1.820 -0.620 6 H ARG 80 H ARG 80 3.885 2.789 -3.181 7 HA ARG 80 HA ARG 80 6.423 3.916 -2.283 8 HB2 ARG 80 HB2 ARG 80 4.480 4.828 -4.404 9 HB3 ARG 80 HB3 ARG 80 6.107 5.479 -4.087 10 HG2 ARG 80 HG2 ARG 80 7.083 3.238 -4.428 11 HG3 ARG 80 HG3 ARG 80 5.489 2.602 -4.868 12 HD2 ARG 80 HD2 ARG 80 5.354 4.190 -6.758 13 HD3 ARG 80 HD3 ARG 80 6.947 4.847 -6.324 14 HE ARG 80 HE ARG 80 7.222 2.043 -6.648 15 HH11 ARG 80 HH11 ARG 80 6.593 4.809 -8.711 16 HH12 ARG 80 HH12 ARG 80 7.289 4.040 -10.112 17 HH21 ARG 80 HH21 ARG 80 8.081 1.114 -8.478 18 HH22 ARG 80 HH22 ARG 80 8.102 1.994 -9.976 19 H LYS 81 H LYS 81 3.407 4.382 -0.967 20 HA LYS 81 HA LYS 81 3.122 7.090 -0.450 21 HB2 LYS 81 HB2 LYS 81 2.375 4.556 1.032 22 HB3 LYS 81 HB3 LYS 81 2.137 6.087 1.863 23 HG2 LYS 81 HG2 LYS 81 0.990 5.566 -0.907 24 HG3 LYS 81 HG3 LYS 81 0.137 5.176 0.591 25 HD2 LYS 81 HD2 LYS 81 0.345 7.567 1.315 26 HD3 LYS 81 HD3 LYS 81 1.057 7.967 -0.260 27 HE2 LYS 81 HE2 LYS 81 -0.978 7.225 -1.416 28 HE3 LYS 81 HE3 LYS 81 -1.699 6.710 0.112 29 HZ1 LYS 81 HZ1 LYS 81 -2.511 8.909 -0.491 30 HZ2 LYS 81 HZ2 LYS 81 -1.597 9.069 0.862 31 HZ3 LYS 81 HZ3 LYS 81 -1.006 9.523 -0.601 32 H VAL 82 H VAL 82 3.405 8.383 1.322 33 HA VAL 82 HA VAL 82 6.147 8.496 2.370 34 HB VAL 82 HB VAL 82 3.688 10.236 2.798 35 HG11 VAL 82 HG11 VAL 82 5.128 10.618 4.736 36 HG12 VAL 82 HG12 VAL 82 6.557 10.770 3.678 37 HG13 VAL 82 HG13 VAL 82 5.262 11.984 3.640 38 HG21 VAL 82 HG21 VAL 82 4.851 11.838 1.315 39 HG22 VAL 82 HG22 VAL 82 6.220 10.718 1.160 40 HG23 VAL 82 HG23 VAL 82 4.630 10.301 0.476 41 H LYS 83 H LYS 83 6.834 8.096 4.392 42 HA LYS 83 HA LYS 83 4.888 7.321 6.548 43 HB2 LYS 83 HB2 LYS 83 7.811 6.576 6.081 44 HB3 LYS 83 HB3 LYS 83 7.050 6.502 7.686 45 HG2 LYS 83 HG2 LYS 83 5.336 4.958 6.852 46 HG3 LYS 83 HG3 LYS 83 6.107 4.949 5.250 47 HD2 LYS 83 HD2 LYS 83 8.135 3.965 6.159 48 HD3 LYS 83 HD3 LYS 83 7.562 4.182 7.827 49 HE2 LYS 83 HE2 LYS 83 5.740 2.596 7.470 50 HE3 LYS 83 HE3 LYS 83 6.215 2.379 5.774 51 HZ1 LYS 83 HZ1 LYS 83 7.118 0.605 7.218 52 HZ2 LYS 83 HZ2 LYS 83 8.341 1.453 6.546 53 HZ3 LYS 83 HZ3 LYS 83 7.953 1.686 8.118 54 H GLN 84 H GLN 84 4.517 8.841 7.903 55 HA GLN 84 HA GLN 84 6.355 11.121 8.430 56 HB2 GLN 84 HB2 GLN 84 4.012 11.650 8.145 57 HB3 GLN 84 HB3 GLN 84 3.519 10.347 9.208 58 HG2 GLN 84 HG2 GLN 84 4.560 11.573 11.142 59 HG3 GLN 84 HG3 GLN 84 4.960 12.897 10.037 60 HE21 GLN 84 HE22 GLN 84 2.118 10.849 11.011 61 HE22 GLN 84 HE21 GLN 84 0.987 12.207 11.027 62 H TYR 85 H TYR 85 7.377 11.313 10.414 63 HA TYR 85 HA TYR 85 7.028 9.173 12.480 64 HB2 TYR 85 HB2 TYR 85 9.692 10.226 11.444 65 HB3 TYR 85 HB3 TYR 85 9.488 9.167 12.821 66 HD1 TYR 85 HD2 TYR 85 9.268 9.376 9.110 67 HD2 TYR 85 HD1 TYR 85 9.261 6.805 12.568 68 HE1 TYR 85 HE2 TYR 85 9.744 7.417 7.659 69 HE2 TYR 85 HE1 TYR 85 9.758 4.838 11.117 70 HH TYR 85 HH TYR 85 10.229 5.155 7.569 71 H LYS 86 H LYS 86 7.486 9.876 14.588 72 HA LYS 86 HA LYS 86 8.177 12.738 15.058 73 HB2 LYS 86 HB2 LYS 86 5.730 12.501 15.204 74 HB3 LYS 86 HB3 LYS 86 5.905 11.163 16.347 75 HG2 LYS 86 HG2 LYS 86 6.845 12.629 18.044 76 HG3 LYS 86 HG3 LYS 86 6.912 13.984 16.911 77 HD2 LYS 86 HD2 LYS 86 4.422 13.931 16.725 78 HD3 LYS 86 HD3 LYS 86 4.378 12.592 17.891 79 HE2 LYS 86 HE2 LYS 86 5.488 14.055 19.587 80 HE3 LYS 86 HE3 LYS 86 5.517 15.383 18.425 81 HZ1 LYS 86 HZ1 LYS 86 3.039 14.096 19.476 82 HZ2 LYS 86 HZ2 LYS 86 3.605 15.559 19.924 83 HZ3 LYS 86 HZ3 LYS 86 3.069 15.328 18.401 84 H ASN 87 H ASN 87 9.463 13.072 16.830 85 HA ASN 87 HA ASN 87 10.377 10.623 18.336 86 HB2 ASN 87 HB2 ASN 87 12.015 11.519 16.753 87 HB3 ASN 87 HB3 ASN 87 12.039 13.050 17.625 88 HD21 ASN 87 HD22 ASN 87 14.410 11.711 17.347 89 HD22 ASN 87 HD21 ASN 87 14.848 10.954 18.872 90 HA PRO 88 HA PRO 88 8.230 13.012 21.642 91 HB2 PRO 88 HB2 PRO 88 9.029 10.388 22.936 92 HB3 PRO 88 HB3 PRO 88 7.540 11.356 23.192 93 HG2 PRO 88 HG2 PRO 88 7.500 9.200 21.556 94 HG3 PRO 88 HG3 PRO 88 6.685 10.720 21.054 95 HD2 PRO 88 HD2 PRO 88 9.349 9.631 20.170 96 HD3 PRO 88 HD3 PRO 88 8.078 10.466 19.225 97 H HIS 89 H HIS 89 11.460 11.575 21.639 98 HA HIS 89 HA HIS 89 12.343 12.653 24.180 99 HB2 HIS 89 HB2 HIS 89 14.047 11.728 21.829 100 HB3 HIS 89 HB3 HIS 89 14.531 11.854 23.518 101 HD1 HIS 89 HD1 HIS 89 12.814 9.508 21.122 102 HD2 HIS 89 HD2 HIS 89 13.308 10.068 25.282 103 HE1 HIS 89 HE1 HIS 89 12.028 7.304 22.276 104 HE2 HIS 89 HE2 HIS 89 12.359 7.667 24.798 105 H THR 90 H THR 90 12.180 14.031 20.969 106 HA THR 90 HA THR 90 13.686 16.472 21.865 107 HB THR 90 HB THR 90 14.436 16.704 19.569 108 HG1 THR 90 HG1 THR 90 13.908 15.097 18.064 109 HG21 THR 90 HG21 THR 90 14.850 13.789 20.367 110 HG22 THR 90 HG22 THR 90 15.899 14.786 19.336 111 HG23 THR 90 HG23 THR 90 15.766 15.149 21.065 112 H GLY 91 H GLY 91 10.746 15.276 20.388 113 HA2 GLY 91 HA2 GLY 91 8.722 16.477 20.222 114 HA3 GLY 91 HA3 GLY 91 9.592 18.012 20.266 115 H GLU 92 H GLU 92 11.394 16.272 18.107 116 HA GLU 92 HA GLU 92 10.408 17.706 15.837 117 HB2 GLU 92 HB2 GLU 92 12.574 15.713 16.409 118 HB3 GLU 92 HB3 GLU 92 12.028 15.817 14.731 119 HG2 GLU 92 HG2 GLU 92 12.372 18.068 14.543 120 HG3 GLU 92 HG3 GLU 92 12.739 18.273 16.287 121 H VAL 93 H VAL 93 9.524 17.115 13.946 122 HA VAL 93 HA VAL 93 8.435 14.384 13.533 123 HB VAL 93 HB VAL 93 7.166 17.034 12.793 124 HG11 VAL 93 HG11 VAL 93 5.158 15.685 12.215 125 HG12 VAL 93 HG12 VAL 93 6.538 15.212 11.220 126 HG13 VAL 93 HG13 VAL 93 6.049 14.196 12.598 127 HG21 VAL 93 HG21 VAL 93 5.418 16.537 14.462 128 HG22 VAL 93 HG22 VAL 93 6.368 15.130 14.998 129 HG23 VAL 93 HG23 VAL 93 7.022 16.779 15.177 130 H ILE 94 H ILE 94 8.695 13.621 11.468 131 HA ILE 94 HA ILE 94 9.731 15.324 9.295 132 HB ILE 94 HB ILE 94 11.517 13.678 8.752 133 HG12 ILE 94 HG12 ILE 94 10.967 12.509 11.511 134 HG13 ILE 94 HG13 ILE 94 10.609 11.728 9.971 135 HG21 ILE 94 HG21 ILE 94 11.959 15.814 9.957 136 HG22 ILE 94 HG22 ILE 94 11.936 14.923 11.494 137 HG23 ILE 94 HG23 ILE 94 13.159 14.559 10.260 138 HD11 ILE 94 HD11 ILE 94 12.640 10.808 10.918 139 HD12 ILE 94 HD12 ILE 94 12.999 11.666 9.414 140 HD13 ILE 94 HD13 ILE 94 13.395 12.402 10.992 141 H GLU 95 H GLU 95 9.762 14.196 7.273 142 HA GLU 95 HA GLU 95 7.918 11.876 6.925 143 HB2 GLU 95 HB2 GLU 95 7.720 14.638 5.644 144 HB3 GLU 95 HB3 GLU 95 6.965 13.210 4.936 145 HG2 GLU 95 HG2 GLU 95 5.477 12.926 6.774 146 HG3 GLU 95 HG3 GLU 95 6.333 14.107 7.766 147 H THR 96 H THR 96 8.571 10.464 5.430 148 HA THR 96 HA THR 96 10.267 11.259 3.145 149 HB THR 96 HB THR 96 12.008 10.842 4.691 150 HG1 THR 96 HG1 THR 96 12.994 9.097 3.732 151 HG21 THR 96 HG21 THR 96 10.847 9.690 6.513 152 HG22 THR 96 HG22 THR 96 10.626 8.250 5.485 153 HG23 THR 96 HG23 THR 96 12.254 8.759 5.984 154 H LYS 97 H LYS 97 10.395 9.587 1.489 155 HA LYS 97 HA LYS 97 8.066 7.727 1.437 156 HB2 LYS 97 HB2 LYS 97 10.172 8.457 -0.644 157 HB3 LYS 97 HB3 LYS 97 8.863 7.295 -0.906 158 HG2 LYS 97 HG2 LYS 97 7.175 9.033 -0.437 159 HG3 LYS 97 HG3 LYS 97 8.463 10.233 -0.225 160 HD2 LYS 97 HD2 LYS 97 9.222 9.848 -2.557 161 HD3 LYS 97 HD3 LYS 97 7.923 8.654 -2.780 162 HE2 LYS 97 HE2 LYS 97 6.229 10.418 -2.321 163 HE3 LYS 97 HE3 LYS 97 7.519 11.602 -2.068 164 HZ1 LYS 97 HZ1 LYS 97 6.989 10.178 -4.631 165 HZ2 LYS 97 HZ2 LYS 97 6.623 11.741 -4.324 166 HZ3 LYS 97 HZ3 LYS 97 8.185 11.271 -4.401 167 H GLY 98 H GLY 98 11.138 7.519 2.697 168 HA2 GLY 98 HA2 GLY 98 11.648 5.411 3.829 169 HA3 GLY 98 HA3 GLY 98 11.222 4.527 2.364 170 H GLY 99 H GLY 99 12.972 7.275 1.432 171 HA2 GLY 99 HA2 GLY 99 15.363 5.778 0.733 172 HA3 GLY 99 HA3 GLY 99 15.073 7.493 0.482 173 H ASN 100 H ASN 100 17.525 7.048 1.100 174 HA ASN 100 HA ASN 100 18.222 6.834 3.882 175 HB2 ASN 100 HB2 ASN 100 19.724 6.218 2.026 176 HB3 ASN 100 HB3 ASN 100 19.791 7.905 1.508 177 HD21 ASN 100 HD22 ASN 100 22.158 7.693 1.790 178 HD22 ASN 100 HD21 ASN 100 22.820 7.844 3.411 179 H HIS 101 H HIS 101 16.778 8.320 4.891 180 HA HIS 101 HA HIS 101 17.349 11.238 4.606 181 HB2 HIS 101 HB2 HIS 101 15.018 10.333 4.413 182 HB3 HIS 101 HB3 HIS 101 15.091 9.822 6.100 183 HD1 HIS 101 HD1 HIS 101 15.008 11.867 7.923 184 HD2 HIS 101 HD2 HIS 101 14.743 12.926 3.852 185 HE1 HIS 101 HE1 HIS 101 14.506 14.406 7.872 186 HE2 HIS 101 HE2 HIS 101 14.267 15.019 5.371 187 H LYS 102 H LYS 102 19.250 11.527 5.716 188 HA LYS 102 HA LYS 102 20.416 10.202 7.743 189 HB2 LYS 102 HB2 LYS 102 21.419 12.035 6.430 190 HB3 LYS 102 HB3 LYS 102 20.469 13.220 7.309 191 HG2 LYS 102 HG2 LYS 102 22.730 13.259 8.096 192 HG3 LYS 102 HG3 LYS 102 21.696 12.688 9.395 193 HD2 LYS 102 HD2 LYS 102 22.443 10.355 9.007 194 HD3 LYS 102 HD3 LYS 102 23.384 10.886 7.593 195 HE2 LYS 102 HE2 LYS 102 24.708 12.405 9.085 196 HE3 LYS 102 HE3 LYS 102 23.816 11.798 10.481 197 HZ1 LYS 102 HZ1 LYS 102 25.560 10.149 8.705 198 HZ2 LYS 102 HZ2 LYS 102 25.945 10.648 10.207 199 HZ3 LYS 102 HZ3 LYS 102 24.741 9.566 10.002 200 H THR 103 H THR 103 18.153 12.889 8.530 201 HA THR 103 HA THR 103 18.378 12.771 11.325 202 HB THR 103 HB THR 103 15.731 13.230 9.902 203 HG1 THR 103 HG1 THR 103 17.785 15.162 10.115 204 HG21 THR 103 HG21 THR 103 15.462 15.055 11.535 205 HG22 THR 103 HG22 THR 103 15.613 13.481 12.328 206 HG23 THR 103 HG23 THR 103 16.998 14.595 12.308 207 H LEU 104 H LEU 104 16.503 10.601 9.232 208 HA LEU 104 HA LEU 104 15.059 9.313 11.461 209 HB2 LEU 104 HB2 LEU 104 14.148 9.492 9.068 210 HB3 LEU 104 HB3 LEU 104 15.447 8.424 8.551 211 HG LEU 104 HG LEU 104 14.534 6.710 10.254 212 HD11 LEU 104 HD11 LEU 104 12.161 6.972 10.871 213 HD12 LEU 104 HD12 LEU 104 13.142 8.238 11.618 214 HD13 LEU 104 HD13 LEU 104 12.145 8.604 10.187 215 HD21 LEU 104 HD21 LEU 104 12.798 5.920 8.768 216 HD22 LEU 104 HD22 LEU 104 12.657 7.523 8.013 217 HD23 LEU 104 HD23 LEU 104 14.138 6.556 7.801 218 H LYS 105 H LYS 105 17.860 8.598 9.286 219 HA LYS 105 HA LYS 105 18.584 6.107 10.390 220 HB2 LYS 105 HB2 LYS 105 19.519 7.407 8.341 221 HB3 LYS 105 HB3 LYS 105 20.621 8.177 9.520 222 HG2 LYS 105 HG2 LYS 105 21.489 5.957 10.161 223 HG3 LYS 105 HG3 LYS 105 20.355 5.181 9.039 224 HD2 LYS 105 HD2 LYS 105 21.453 6.317 7.121 225 HD3 LYS 105 HD3 LYS 105 22.527 7.165 8.230 226 HE2 LYS 105 HE2 LYS 105 23.799 5.394 7.322 227 HE3 LYS 105 HE3 LYS 105 23.451 4.957 8.997 228 HZ1 LYS 105 HZ1 LYS 105 23.112 3.079 7.458 229 HZ2 LYS 105 HZ2 LYS 105 21.693 3.454 8.157 230 HZ3 LYS 105 HZ3 LYS 105 21.990 3.904 6.610 231 H GLU 106 H GLU 106 19.596 9.369 11.437 232 HA GLU 106 HA GLU 106 21.155 8.574 13.633 233 HB2 GLU 106 HB2 GLU 106 19.516 11.040 12.986 234 HB3 GLU 106 HB3 GLU 106 20.156 10.855 14.615 235 HG2 GLU 106 HG2 GLU 106 22.429 10.501 13.681 236 HG3 GLU 106 HG3 GLU 106 21.775 10.812 12.054 237 H TRP 107 H TRP 107 17.620 9.129 13.527 238 HA TRP 107 HA TRP 107 17.224 8.519 16.301 239 HB2 TRP 107 HB2 TRP 107 15.270 8.371 13.981 240 HB3 TRP 107 HB3 TRP 107 14.843 8.254 15.677 241 HD1 TRP 107 HD1 TRP 107 17.312 10.860 15.759 242 HE1 TRP 107 HE1 TRP 107 16.326 13.207 15.585 243 HE3 TRP 107 HE3 TRP 107 12.612 9.664 14.055 244 HZ2 TRP 107 HZ2 TRP 107 13.900 14.421 14.743 245 HZ3 TRP 107 HZ3 TRP 107 10.959 11.474 13.624 246 HH2 TRP 107 HH2 TRP 107 11.606 13.875 13.938 247 H LYS 108 H LYS 108 17.141 6.407 13.411 248 HA LYS 108 HA LYS 108 16.336 3.995 14.814 249 HB2 LYS 108 HB2 LYS 108 17.993 4.339 12.271 250 HB3 LYS 108 HB3 LYS 108 17.294 2.798 12.844 251 HG2 LYS 108 HG2 LYS 108 15.010 3.703 12.598 252 HG3 LYS 108 HG3 LYS 108 15.645 5.262 12.146 253 HD2 LYS 108 HD2 LYS 108 15.340 4.572 10.029 254 HD3 LYS 108 HD3 LYS 108 16.880 3.737 10.239 255 HE2 LYS 108 HE2 LYS 108 15.605 1.691 10.960 256 HE3 LYS 108 HE3 LYS 108 14.087 2.578 10.715 257 HZ1 LYS 108 HZ1 LYS 108 14.627 1.204 8.768 258 HZ2 LYS 108 HZ2 LYS 108 14.682 2.775 8.335 259 HZ3 LYS 108 HZ3 LYS 108 16.072 1.930 8.569 260 H ALA 109 H ALA 109 19.507 5.476 14.218 261 HA ALA 109 HA ALA 109 21.056 3.369 15.444 262 HB1 ALA 109 HB1 ALA 109 21.965 5.006 13.829 263 HB2 ALA 109 HB2 ALA 109 21.688 6.323 14.995 264 HB3 ALA 109 HB3 ALA 109 22.867 5.041 15.359 265 H LYS 110 H LYS 110 19.605 6.359 16.713 266 HA LYS 110 HA LYS 110 20.850 5.939 19.369 267 HB2 LYS 110 HB2 LYS 110 19.405 8.298 18.117 268 HB3 LYS 110 HB3 LYS 110 19.926 8.263 19.802 269 HG2 LYS 110 HG2 LYS 110 22.247 7.762 19.123 270 HG3 LYS 110 HG3 LYS 110 21.797 7.846 17.420 271 HD2 LYS 110 HD2 LYS 110 21.405 10.195 19.326 272 HD3 LYS 110 HD3 LYS 110 22.943 9.875 18.515 273 HE2 LYS 110 HE2 LYS 110 21.805 9.978 16.290 274 HE3 LYS 110 HE3 LYS 110 20.285 10.392 17.106 275 HZ1 LYS 110 HZ1 LYS 110 22.785 12.007 17.361 276 HZ2 LYS 110 HZ2 LYS 110 21.640 12.356 16.266 277 HZ3 LYS 110 HZ3 LYS 110 21.300 12.449 17.882 278 H TRP 111 H TRP 111 17.647 5.422 18.136 279 HA TRP 111 HA TRP 111 16.832 4.623 20.915 280 HB2 TRP 111 HB2 TRP 111 15.187 6.022 18.776 281 HB3 TRP 111 HB3 TRP 111 14.491 5.246 20.183 282 HD1 TRP 111 HD1 TRP 111 15.188 6.155 22.627 283 HE1 TRP 111 HE1 TRP 111 15.893 8.477 23.465 284 HE3 TRP 111 HE3 TRP 111 16.301 8.305 18.151 285 HZ2 TRP 111 HZ2 TRP 111 16.920 10.929 22.329 286 HZ3 TRP 111 HZ3 TRP 111 17.218 10.636 18.048 287 HH2 TRP 111 HH2 TRP 111 17.518 11.950 20.128 288 H GLY 112 H GLY 112 17.354 3.422 17.792 289 HA2 GLY 112 HA2 GLY 112 17.417 1.076 17.477 290 HA3 GLY 112 HA3 GLY 112 16.000 0.854 18.496 291 HA PRO 113 HA PRO 113 15.007 1.905 13.854 292 HB2 PRO 113 HB2 PRO 113 15.191 -0.569 12.543 293 HB3 PRO 113 HB3 PRO 113 16.425 0.726 12.531 294 HG2 PRO 113 HG2 PRO 113 16.338 -1.732 14.241 295 HG3 PRO 113 HG3 PRO 113 17.746 -0.925 13.434 296 HD2 PRO 113 HD2 PRO 113 17.225 -0.653 16.081 297 HD3 PRO 113 HD3 PRO 113 17.904 0.678 15.092 298 H GLU 114 H GLU 114 14.211 -1.066 15.697 299 HA GLU 114 HA GLU 114 11.599 -1.438 14.595 300 HB2 GLU 114 HB2 GLU 114 12.835 -2.283 17.243 301 HB3 GLU 114 HB3 GLU 114 11.249 -2.822 16.676 302 HG2 GLU 114 HG2 GLU 114 12.313 -3.798 14.646 303 HG3 GLU 114 HG3 GLU 114 13.902 -3.331 15.261 304 H ALA 115 H ALA 115 12.787 0.385 17.392 305 HA ALA 115 HA ALA 115 10.205 1.213 18.411 306 HB1 ALA 115 HB1 ALA 115 12.958 2.489 18.670 307 HB2 ALA 115 HB2 ALA 115 11.540 2.884 19.657 308 HB3 ALA 115 HB3 ALA 115 12.277 1.264 19.755 309 H VAL 116 H VAL 116 12.595 2.808 16.240 310 HA VAL 116 HA VAL 116 11.012 5.125 15.713 311 HB VAL 116 HB VAL 116 13.210 3.813 14.082 312 HG11 VAL 116 HG11 VAL 116 13.488 6.081 13.052 313 HG12 VAL 116 HG12 VAL 116 11.959 5.312 12.598 314 HG13 VAL 116 HG13 VAL 116 11.979 6.592 13.827 315 HG21 VAL 116 HG21 VAL 116 14.611 5.543 15.096 316 HG22 VAL 116 HG22 VAL 116 13.239 6.212 15.983 317 HG23 VAL 116 HG23 VAL 116 13.876 4.625 16.404 318 H GLU 117 H GLU 117 11.110 1.977 13.920 319 HA GLU 117 HA GLU 117 9.174 2.793 11.935 320 HB2 GLU 117 HB2 GLU 117 10.107 0.128 13.051 321 HB3 GLU 117 HB3 GLU 117 8.765 0.185 11.927 322 HG2 GLU 117 HG2 GLU 117 11.436 1.498 11.275 323 HG3 GLU 117 HG3 GLU 117 11.135 -0.214 11.002 324 H SER 118 H SER 118 8.829 1.677 15.294 325 HA SER 118 HA SER 118 5.952 1.339 15.191 326 HB2 SER 118 HB2 SER 118 7.334 0.317 16.877 327 HB3 SER 118 HB3 SER 118 7.637 1.912 17.620 328 HG SER 118 HG SER 118 5.867 0.754 18.596 329 H TRP 119 H TRP 119 8.075 4.168 15.551 330 HA TRP 119 HA TRP 119 5.951 6.029 16.278 331 HB2 TRP 119 HB2 TRP 119 8.574 6.714 14.921 332 HB3 TRP 119 HB3 TRP 119 7.512 7.775 15.806 333 HD1 TRP 119 HD1 TRP 119 7.457 5.389 18.283 334 HE1 TRP 119 HE1 TRP 119 9.380 5.526 19.960 335 HE3 TRP 119 HE3 TRP 119 10.710 8.334 15.587 336 HZ2 TRP 119 HZ2 TRP 119 12.057 6.593 20.054 337 HZ3 TRP 119 HZ3 TRP 119 12.872 9.001 16.576 338 HH2 TRP 119 HH2 TRP 119 13.577 8.120 18.787 339 H ALA 120 H ALA 120 6.753 4.440 13.304 340 HA ALA 120 HA ALA 120 6.284 6.563 11.493 341 HB1 ALA 120 HB1 ALA 120 5.837 3.625 10.882 342 HB2 ALA 120 HB2 ALA 120 6.299 4.924 9.766 343 HB3 ALA 120 HB3 ALA 120 7.442 4.357 10.996 344 H THR 121 H THR 121 4.556 7.214 10.292 345 HA THR 121 HA THR 121 1.951 5.762 10.358 346 HB THR 121 HB THR 121 0.921 8.160 10.216 347 HG1 THR 121 HG1 THR 121 3.234 8.699 11.778 348 HG21 THR 121 HG21 THR 121 0.407 6.613 12.037 349 HG22 THR 121 HG22 THR 121 1.880 7.107 12.900 350 HG23 THR 121 HG23 THR 121 0.569 8.277 12.626 351 H LEU 122 H LEU 122 1.484 5.177 8.455 352 HA LEU 122 HA LEU 122 2.582 6.325 6.021 353 HB2 LEU 122 HB2 LEU 122 0.421 4.317 6.731 354 HB3 LEU 122 HB3 LEU 122 0.737 4.760 5.052 355 HG LEU 122 HG LEU 122 2.911 3.680 6.899 356 HD11 LEU 122 HD11 LEU 122 2.547 1.494 5.796 357 HD12 LEU 122 HD12 LEU 122 1.119 1.997 6.711 358 HD13 LEU 122 HD13 LEU 122 1.131 2.151 4.943 359 HD21 LEU 122 HD21 LEU 122 4.028 3.121 4.747 360 HD22 LEU 122 HD22 LEU 122 2.660 3.796 3.847 361 HD23 LEU 122 HD23 LEU 122 3.689 4.858 4.821 362 H LEU 123 H LEU 123 1.787 7.984 4.815 363 HA LEU 123 HA LEU 123 -0.636 9.382 5.726 364 HB2 LEU 123 HB2 LEU 123 1.266 10.038 3.446 365 HB3 LEU 123 HB3 LEU 123 -0.005 11.080 4.085 366 HG LEU 123 HG LEU 123 2.556 10.236 5.487 367 HD11 LEU 123 HD11 LEU 123 3.006 12.623 5.504 368 HD12 LEU 123 HD12 LEU 123 2.645 12.119 3.843 369 HD13 LEU 123 HD13 LEU 123 1.415 12.974 4.794 370 HD21 LEU 123 HD21 LEU 123 1.769 11.733 7.368 371 HD22 LEU 123 HD22 LEU 123 0.155 11.731 6.630 372 HD23 LEU 123 HD23 LEU 123 0.871 10.220 7.240 373 H GLY 124 H GLY 124 -1.529 7.018 5.073 374 HA2 GLY 124 HA2 GLY 124 -3.662 7.409 3.310 375 HA3 GLY 124 HA3 GLY 124 -2.422 6.564 2.372 376 H HIS 125 H HIS 125 -4.677 5.255 2.572 377 HA HIS 125 HA HIS 125 -4.044 2.865 4.127 378 HB2 HIS 125 HB2 HIS 125 -6.293 2.754 5.192 379 HB3 HIS 125 HB3 HIS 125 -5.243 4.004 5.840 380 HD1 HIS 125 HD1 HIS 125 -7.406 4.515 2.699 381 HD2 HIS 125 HD2 HIS 125 -7.113 5.638 6.754 382 HE1 HIS 125 HE1 HIS 125 -9.188 6.379 3.076 383 HE2 HIS 125 HE2 HIS 125 -8.984 7.054 5.556 Start of MODEL 11 1 H ALA 79 H1 ALA 79 5.494 1.545 -0.405 2 HA ALA 79 HA ALA 79 5.850 1.584 -2.791 3 HB1 ALA 79 HB1 ALA 79 4.218 0.551 -4.309 4 HB2 ALA 79 HB2 ALA 79 4.967 -0.676 -3.275 5 HB3 ALA 79 HB3 ALA 79 3.314 -0.116 -2.934 6 H ARG 80 H ARG 80 5.435 3.529 -3.501 7 HA ARG 80 HA ARG 80 4.504 5.544 -3.988 8 HB2 ARG 80 HB2 ARG 80 2.048 3.869 -4.369 9 HB3 ARG 80 HB3 ARG 80 2.340 5.517 -4.974 10 HG2 ARG 80 HG2 ARG 80 4.417 4.708 -6.129 11 HG3 ARG 80 HG3 ARG 80 3.997 3.058 -5.651 12 HD2 ARG 80 HD2 ARG 80 3.243 3.335 -7.873 13 HD3 ARG 80 HD3 ARG 80 1.807 3.327 -6.820 14 HE ARG 80 HE ARG 80 2.720 6.021 -7.293 15 HH11 ARG 80 HH21 ARG 80 1.003 3.473 -8.979 16 HH12 ARG 80 HH22 ARG 80 0.172 4.596 -10.022 17 HH21 ARG 80 HH11 ARG 80 1.619 7.403 -8.652 18 HH22 ARG 80 HH12 ARG 80 0.521 6.766 -9.837 19 H LYS 81 H LYS 81 4.657 5.136 -1.157 20 HA LYS 81 HA LYS 81 2.591 7.076 -0.173 21 HB2 LYS 81 HB2 LYS 81 3.327 4.390 1.063 22 HB3 LYS 81 HB3 LYS 81 2.421 5.637 1.929 23 HG2 LYS 81 HG2 LYS 81 0.607 5.535 0.279 24 HG3 LYS 81 HG3 LYS 81 1.511 4.375 -0.683 25 HD2 LYS 81 HD2 LYS 81 1.483 2.820 1.387 26 HD3 LYS 81 HD3 LYS 81 0.302 3.957 2.062 27 HE2 LYS 81 HE2 LYS 81 -1.033 2.304 1.046 28 HE3 LYS 81 HE3 LYS 81 -1.038 3.645 -0.112 29 HZ1 LYS 81 HZ1 LYS 81 0.590 1.154 -0.302 30 HZ2 LYS 81 HZ2 LYS 81 -0.659 1.565 -1.260 31 HZ3 LYS 81 HZ3 LYS 81 0.745 2.402 -1.354 32 H VAL 82 H VAL 82 3.090 8.147 1.711 33 HA VAL 82 HA VAL 82 6.007 8.521 2.337 34 HB VAL 82 HB VAL 82 3.546 10.259 2.797 35 HG11 VAL 82 HG11 VAL 82 4.980 10.694 4.691 36 HG12 VAL 82 HG12 VAL 82 6.423 10.799 3.641 37 HG13 VAL 82 HG13 VAL 82 5.149 12.025 3.555 38 HG21 VAL 82 HG21 VAL 82 4.397 10.221 0.470 39 HG22 VAL 82 HG22 VAL 82 4.639 11.801 1.229 40 HG23 VAL 82 HG23 VAL 82 6.014 10.687 1.056 41 H LYS 83 H LYS 83 6.762 8.126 4.357 42 HA LYS 83 HA LYS 83 4.865 7.339 6.553 43 HB2 LYS 83 HB2 LYS 83 7.780 6.628 6.032 44 HB3 LYS 83 HB3 LYS 83 7.050 6.529 7.647 45 HG2 LYS 83 HG2 LYS 83 5.329 4.988 6.839 46 HG3 LYS 83 HG3 LYS 83 6.049 5.012 5.214 47 HD2 LYS 83 HD2 LYS 83 8.108 4.021 6.032 48 HD3 LYS 83 HD3 LYS 83 7.587 4.183 7.721 49 HE2 LYS 83 HE2 LYS 83 5.787 2.587 7.411 50 HE3 LYS 83 HE3 LYS 83 6.107 2.481 5.673 51 HZ1 LYS 83 HZ1 LYS 83 7.117 0.612 6.915 52 HZ2 LYS 83 HZ2 LYS 83 8.278 1.487 6.177 53 HZ3 LYS 83 HZ3 LYS 83 8.056 1.619 7.792 54 H GLN 84 H GLN 84 4.481 8.864 7.901 55 HA GLN 84 HA GLN 84 6.323 11.142 8.442 56 HB2 GLN 84 HB2 GLN 84 3.985 11.677 8.178 57 HB3 GLN 84 HB3 GLN 84 3.489 10.360 9.225 58 HG2 GLN 84 HG2 GLN 84 4.531 11.556 11.177 59 HG3 GLN 84 HG3 GLN 84 4.936 12.900 10.094 60 HE21 GLN 84 HE22 GLN 84 2.094 10.837 11.045 61 HE22 GLN 84 HE21 GLN 84 0.963 12.190 11.068 62 H TYR 85 H TYR 85 7.337 11.325 10.433 63 HA TYR 85 HA TYR 85 6.980 9.173 12.478 64 HB2 TYR 85 HB2 TYR 85 9.654 10.244 11.496 65 HB3 TYR 85 HB3 TYR 85 9.428 9.161 12.844 66 HD1 TYR 85 HD1 TYR 85 9.155 9.441 9.120 67 HD2 TYR 85 HD2 TYR 85 9.344 6.809 12.535 68 HE1 TYR 85 HE1 TYR 85 9.620 7.510 7.624 69 HE2 TYR 85 HE2 TYR 85 9.845 4.887 11.044 70 HH TYR 85 HH TYR 85 10.287 4.226 8.888 71 H LYS 86 H LYS 86 7.429 9.858 14.591 72 HA LYS 86 HA LYS 86 8.096 12.724 15.087 73 HB2 LYS 86 HB2 LYS 86 5.647 12.469 15.249 74 HB3 LYS 86 HB3 LYS 86 5.841 11.116 16.374 75 HG2 LYS 86 HG2 LYS 86 6.788 12.583 18.074 76 HG3 LYS 86 HG3 LYS 86 6.821 13.947 16.943 77 HD2 LYS 86 HD2 LYS 86 4.343 13.885 16.798 78 HD3 LYS 86 HD3 LYS 86 4.312 12.511 17.925 79 HE2 LYS 86 HE2 LYS 86 5.419 13.924 19.661 80 HE3 LYS 86 HE3 LYS 86 5.453 15.286 18.532 81 HZ1 LYS 86 HZ1 LYS 86 3.007 15.252 18.508 82 HZ2 LYS 86 HZ2 LYS 86 2.966 13.986 19.549 83 HZ3 LYS 86 HZ3 LYS 86 3.545 15.432 20.038 84 H ASN 87 H ASN 87 9.379 13.052 16.863 85 HA ASN 87 HA ASN 87 10.389 10.600 18.292 86 HB2 ASN 87 HB2 ASN 87 11.956 11.559 16.691 87 HB3 ASN 87 HB3 ASN 87 11.929 13.099 17.546 88 HD21 ASN 87 HD22 ASN 87 14.328 11.656 17.148 89 HD22 ASN 87 HD21 ASN 87 14.840 11.012 18.706 90 HA PRO 88 HA PRO 88 8.241 12.916 21.661 91 HB2 PRO 88 HB2 PRO 88 9.011 10.257 22.895 92 HB3 PRO 88 HB3 PRO 88 7.529 11.231 23.171 93 HG2 PRO 88 HG2 PRO 88 7.456 9.113 21.490 94 HG3 PRO 88 HG3 PRO 88 6.667 10.652 21.015 95 HD2 PRO 88 HD2 PRO 88 9.342 9.553 20.137 96 HD3 PRO 88 HD3 PRO 88 8.082 10.397 19.186 97 H HIS 89 H HIS 89 11.456 11.412 21.627 98 HA HIS 89 HA HIS 89 12.306 12.519 24.187 99 HB2 HIS 89 HB2 HIS 89 13.994 11.314 21.954 100 HB3 HIS 89 HB3 HIS 89 14.463 11.540 23.634 101 HD1 HIS 89 HD1 HIS 89 13.019 9.963 25.464 102 HD2 HIS 89 HD2 HIS 89 12.735 9.074 21.346 103 HE1 HIS 89 HE1 HIS 89 12.033 7.595 25.308 104 HE2 HIS 89 HE2 HIS 89 11.853 7.052 22.798 105 H THR 90 H THR 90 12.208 13.829 20.969 106 HA THR 90 HA THR 90 13.869 16.177 21.840 107 HB THR 90 HB THR 90 14.567 16.424 19.541 108 HG1 THR 90 HG1 THR 90 13.913 14.921 18.003 109 HG21 THR 90 HG21 THR 90 15.857 14.773 20.947 110 HG22 THR 90 HG22 THR 90 14.845 13.470 20.269 111 HG23 THR 90 HG23 THR 90 15.914 14.420 19.210 112 H GLY 91 H GLY 91 10.838 15.159 20.420 113 HA2 GLY 91 HA2 GLY 91 8.865 16.461 20.360 114 HA3 GLY 91 HA3 GLY 91 9.811 17.948 20.370 115 H GLU 92 H GLU 92 11.419 16.109 18.136 116 HA GLU 92 HA GLU 92 10.419 17.649 15.932 117 HB2 GLU 92 HB2 GLU 92 12.554 15.583 16.381 118 HB3 GLU 92 HB3 GLU 92 11.971 15.777 14.723 119 HG2 GLU 92 HG2 GLU 92 12.370 18.024 14.635 120 HG3 GLU 92 HG3 GLU 92 12.793 18.139 16.373 121 H VAL 93 H VAL 93 9.510 17.100 14.025 122 HA VAL 93 HA VAL 93 8.372 14.395 13.575 123 HB VAL 93 HB VAL 93 7.145 17.079 12.875 124 HG11 VAL 93 HG11 VAL 93 5.123 15.762 12.279 125 HG12 VAL 93 HG12 VAL 93 6.493 15.328 11.256 126 HG13 VAL 93 HG13 VAL 93 6.018 14.259 12.599 127 HG21 VAL 93 HG21 VAL 93 5.396 16.573 14.534 128 HG22 VAL 93 HG22 VAL 93 6.322 15.139 15.044 129 HG23 VAL 93 HG23 VAL 93 6.999 16.777 15.247 130 H ILE 94 H ILE 94 8.606 13.657 11.497 131 HA ILE 94 HA ILE 94 9.654 15.366 9.337 132 HB ILE 94 HB ILE 94 11.428 13.707 8.780 133 HG12 ILE 94 HG12 ILE 94 10.887 12.548 11.541 134 HG13 ILE 94 HG13 ILE 94 10.504 11.770 10.008 135 HG21 ILE 94 HG21 ILE 94 11.880 15.844 9.990 136 HG22 ILE 94 HG22 ILE 94 11.872 14.945 11.522 137 HG23 ILE 94 HG23 ILE 94 13.087 14.587 10.279 138 HD11 ILE 94 HD11 ILE 94 12.885 11.660 9.427 139 HD12 ILE 94 HD12 ILE 94 13.312 12.419 10.985 140 HD13 ILE 94 HD13 ILE 94 12.537 10.837 10.956 141 H GLU 95 H GLU 95 9.666 14.255 7.305 142 HA GLU 95 HA GLU 95 7.886 11.890 6.963 143 HB2 GLU 95 HB2 GLU 95 7.665 14.626 5.627 144 HB3 GLU 95 HB3 GLU 95 6.965 13.165 4.922 145 HG2 GLU 95 HG2 GLU 95 5.447 12.875 6.755 146 HG3 GLU 95 HG3 GLU 95 6.250 14.127 7.715 147 H THR 96 H THR 96 8.518 10.504 5.449 148 HA THR 96 HA THR 96 10.286 11.269 3.210 149 HB THR 96 HB THR 96 11.984 10.789 4.777 150 HG1 THR 96 HG1 THR 96 12.937 9.030 3.806 151 HG21 THR 96 HG21 THR 96 10.757 9.626 6.559 152 HG22 THR 96 HG22 THR 96 10.521 8.211 5.497 153 HG23 THR 96 HG23 THR 96 12.153 8.675 6.041 154 H LYS 97 H LYS 97 10.425 9.578 1.571 155 HA LYS 97 HA LYS 97 8.022 7.802 1.443 156 HB2 LYS 97 HB2 LYS 97 10.166 8.540 -0.595 157 HB3 LYS 97 HB3 LYS 97 8.850 7.391 -0.894 158 HG2 LYS 97 HG2 LYS 97 7.175 9.137 -0.421 159 HG3 LYS 97 HG3 LYS 97 8.467 10.318 -0.133 160 HD2 LYS 97 HD2 LYS 97 9.278 10.009 -2.458 161 HD3 LYS 97 HD3 LYS 97 7.974 8.842 -2.757 162 HE2 LYS 97 HE2 LYS 97 6.278 10.598 -2.268 163 HE3 LYS 97 HE3 LYS 97 7.572 11.754 -1.925 164 HZ1 LYS 97 HZ1 LYS 97 8.301 11.538 -4.253 165 HZ2 LYS 97 HZ2 LYS 97 7.107 10.464 -4.571 166 HZ3 LYS 97 HZ3 LYS 97 6.743 12.008 -4.203 167 H GLY 98 H GLY 98 11.047 7.496 2.774 168 HA2 GLY 98 HA2 GLY 98 11.503 5.406 3.912 169 HA3 GLY 98 HA3 GLY 98 11.010 4.504 2.479 170 H GLY 99 H GLY 99 12.890 7.154 1.502 171 HA2 GLY 99 HA2 GLY 99 15.191 5.538 0.772 172 HA3 GLY 99 HA3 GLY 99 14.991 7.275 0.531 173 H ASN 100 H ASN 100 17.417 6.704 1.113 174 HA ASN 100 HA ASN 100 18.187 6.480 3.867 175 HB2 ASN 100 HB2 ASN 100 19.635 5.851 1.979 176 HB3 ASN 100 HB3 ASN 100 19.677 7.525 1.429 177 HD21 ASN 100 HD22 ASN 100 22.009 7.511 1.620 178 HD22 ASN 100 HD21 ASN 100 22.758 7.610 3.209 179 H HIS 101 H HIS 101 16.802 7.973 4.935 180 HA HIS 101 HA HIS 101 17.317 10.886 4.574 181 HB2 HIS 101 HB2 HIS 101 15.013 9.921 4.455 182 HB3 HIS 101 HB3 HIS 101 15.122 9.484 6.156 183 HD1 HIS 101 HD1 HIS 101 14.780 11.548 7.878 184 HD2 HIS 101 HD2 HIS 101 14.897 12.542 3.782 185 HE1 HIS 101 HE1 HIS 101 14.270 14.078 7.738 186 HE2 HIS 101 HE2 HIS 101 14.272 14.654 5.215 187 H LYS 102 H LYS 102 19.227 11.222 5.575 188 HA LYS 102 HA LYS 102 20.551 10.106 7.640 189 HB2 LYS 102 HB2 LYS 102 21.061 12.038 5.985 190 HB3 LYS 102 HB3 LYS 102 20.586 13.120 7.281 191 HG2 LYS 102 HG2 LYS 102 22.753 10.966 7.538 192 HG3 LYS 102 HG3 LYS 102 23.058 12.593 6.933 193 HD2 LYS 102 HD2 LYS 102 22.159 13.528 9.086 194 HD3 LYS 102 HD3 LYS 102 22.075 11.862 9.708 195 HE2 LYS 102 HE2 LYS 102 24.427 11.568 9.615 196 HE3 LYS 102 HE3 LYS 102 24.653 12.928 8.508 197 HZ1 LYS 102 HZ1 LYS 102 24.192 14.466 10.262 198 HZ2 LYS 102 HZ2 LYS 102 23.721 13.305 11.308 199 HZ3 LYS 102 HZ3 LYS 102 25.302 13.426 10.858 200 H THR 103 H THR 103 18.245 12.773 8.348 201 HA THR 103 HA THR 103 18.543 12.743 11.157 202 HB THR 103 HB THR 103 15.995 13.318 9.576 203 HG1 THR 103 HG1 THR 103 16.850 15.459 9.546 204 HG21 THR 103 HG21 THR 103 16.937 14.431 12.250 205 HG22 THR 103 HG22 THR 103 15.494 14.950 11.343 206 HG23 THR 103 HG23 THR 103 15.571 13.317 12.009 207 H LEU 104 H LEU 104 16.533 10.578 9.177 208 HA LEU 104 HA LEU 104 15.138 9.369 11.481 209 HB2 LEU 104 HB2 LEU 104 14.191 9.468 9.099 210 HB3 LEU 104 HB3 LEU 104 15.466 8.345 8.615 211 HG LEU 104 HG LEU 104 14.525 6.751 10.420 212 HD11 LEU 104 HD11 LEU 104 13.143 8.388 11.661 213 HD12 LEU 104 HD12 LEU 104 12.162 8.659 10.199 214 HD13 LEU 104 HD13 LEU 104 12.160 7.083 10.992 215 HD21 LEU 104 HD21 LEU 104 12.708 7.451 8.088 216 HD22 LEU 104 HD22 LEU 104 14.166 6.436 7.984 217 HD23 LEU 104 HD23 LEU 104 12.781 5.905 8.956 218 H LYS 105 H LYS 105 17.902 8.574 9.294 219 HA LYS 105 HA LYS 105 18.610 6.101 10.420 220 HB2 LYS 105 HB2 LYS 105 19.556 7.376 8.360 221 HB3 LYS 105 HB3 LYS 105 20.679 8.123 9.539 222 HG2 LYS 105 HG2 LYS 105 21.467 5.870 10.194 223 HG3 LYS 105 HG3 LYS 105 20.332 5.127 9.049 224 HD2 LYS 105 HD2 LYS 105 21.494 6.255 7.170 225 HD3 LYS 105 HD3 LYS 105 22.630 7.005 8.317 226 HE2 LYS 105 HE2 LYS 105 23.365 4.742 9.051 227 HE3 LYS 105 HE3 LYS 105 22.235 4.000 7.913 228 HZ1 LYS 105 HZ1 LYS 105 24.530 5.738 7.138 229 HZ2 LYS 105 HZ2 LYS 105 24.485 4.117 6.986 230 HZ3 LYS 105 HZ3 LYS 105 23.483 5.036 6.087 231 H GLU 106 H GLU 106 19.696 9.354 11.440 232 HA GLU 106 HA GLU 106 21.199 8.509 13.652 233 HB2 GLU 106 HB2 GLU 106 19.676 11.042 12.999 234 HB3 GLU 106 HB3 GLU 106 20.265 10.810 14.646 235 HG2 GLU 106 HG2 GLU 106 22.539 10.338 13.760 236 HG3 GLU 106 HG3 GLU 106 21.934 10.688 12.123 237 H TRP 107 H TRP 107 17.684 9.147 13.521 238 HA TRP 107 HA TRP 107 17.248 8.568 16.294 239 HB2 TRP 107 HB2 TRP 107 15.308 8.378 13.959 240 HB3 TRP 107 HB3 TRP 107 14.868 8.308 15.654 241 HD1 TRP 107 HD1 TRP 107 17.356 10.922 15.632 242 HE1 TRP 107 HE1 TRP 107 16.359 13.258 15.402 243 HE3 TRP 107 HE3 TRP 107 12.629 9.652 14.074 244 HZ2 TRP 107 HZ2 TRP 107 13.902 14.438 14.579 245 HZ3 TRP 107 HZ3 TRP 107 10.951 11.438 13.644 246 HH2 TRP 107 HH2 TRP 107 11.583 13.849 13.879 247 H LYS 108 H LYS 108 17.185 6.421 13.436 248 HA LYS 108 HA LYS 108 16.346 4.025 14.845 249 HB2 LYS 108 HB2 LYS 108 18.025 4.341 12.312 250 HB3 LYS 108 HB3 LYS 108 17.310 2.813 12.894 251 HG2 LYS 108 HG2 LYS 108 15.035 3.735 12.626 252 HG3 LYS 108 HG3 LYS 108 15.679 5.287 12.174 253 HD2 LYS 108 HD2 LYS 108 15.351 4.590 10.063 254 HD3 LYS 108 HD3 LYS 108 16.912 3.785 10.263 255 HE2 LYS 108 HE2 LYS 108 15.704 1.705 10.954 256 HE3 LYS 108 HE3 LYS 108 14.154 2.547 10.765 257 HZ1 LYS 108 HZ1 LYS 108 14.720 1.220 8.778 258 HZ2 LYS 108 HZ2 LYS 108 14.656 2.797 8.376 259 HZ3 LYS 108 HZ3 LYS 108 16.102 2.045 8.548 260 H ALA 109 H ALA 109 19.529 5.471 14.261 261 HA ALA 109 HA ALA 109 21.058 3.366 15.511 262 HB1 ALA 109 HB1 ALA 109 21.716 6.310 15.058 263 HB2 ALA 109 HB2 ALA 109 22.881 5.017 15.415 264 HB3 ALA 109 HB3 ALA 109 21.976 4.997 13.888 265 H LYS 110 H LYS 110 19.612 6.360 16.763 266 HA LYS 110 HA LYS 110 20.838 5.934 19.428 267 HB2 LYS 110 HB2 LYS 110 19.409 8.297 18.165 268 HB3 LYS 110 HB3 LYS 110 19.889 8.255 19.868 269 HG2 LYS 110 HG2 LYS 110 22.222 7.773 19.245 270 HG3 LYS 110 HG3 LYS 110 21.817 7.840 17.530 271 HD2 LYS 110 HD2 LYS 110 21.340 10.204 19.388 272 HD3 LYS 110 HD3 LYS 110 22.918 9.883 18.662 273 HE2 LYS 110 HE2 LYS 110 21.901 9.946 16.384 274 HE3 LYS 110 HE3 LYS 110 20.333 10.346 17.106 275 HZ1 LYS 110 HZ1 LYS 110 21.270 12.428 17.914 276 HZ2 LYS 110 HZ2 LYS 110 22.787 12.012 17.475 277 HZ3 LYS 110 HZ3 LYS 110 21.687 12.320 16.320 278 H TRP 111 H TRP 111 17.620 5.472 18.169 279 HA TRP 111 HA TRP 111 16.775 4.669 20.941 280 HB2 TRP 111 HB2 TRP 111 15.162 6.064 18.780 281 HB3 TRP 111 HB3 TRP 111 14.459 5.309 20.199 282 HD1 TRP 111 HD1 TRP 111 15.184 6.254 22.636 283 HE1 TRP 111 HE1 TRP 111 15.899 8.584 23.431 284 HE3 TRP 111 HE3 TRP 111 16.229 8.338 18.114 285 HZ2 TRP 111 HZ2 TRP 111 16.876 11.035 22.246 286 HZ3 TRP 111 HZ3 TRP 111 17.137 10.674 17.964 287 HH2 TRP 111 HH2 TRP 111 17.444 12.020 20.023 288 H GLY 112 H GLY 112 17.356 3.436 17.839 289 HA2 GLY 112 HA2 GLY 112 17.401 1.095 17.524 290 HA3 GLY 112 HA3 GLY 112 15.974 0.881 18.529 291 HA PRO 113 HA PRO 113 15.006 1.932 13.881 292 HB2 PRO 113 HB2 PRO 113 15.200 -0.537 12.569 293 HB3 PRO 113 HB3 PRO 113 16.430 0.754 12.568 294 HG2 PRO 113 HG2 PRO 113 16.328 -1.708 14.286 295 HG3 PRO 113 HG3 PRO 113 17.738 -0.916 13.478 296 HD2 PRO 113 HD2 PRO 113 17.219 -0.617 16.121 297 HD3 PRO 113 HD3 PRO 113 17.902 0.704 15.127 298 H GLU 114 H GLU 114 14.208 -1.036 15.742 299 HA GLU 114 HA GLU 114 11.605 -1.410 14.624 300 HB2 GLU 114 HB2 GLU 114 12.829 -2.253 17.277 301 HB3 GLU 114 HB3 GLU 114 11.236 -2.787 16.710 302 HG2 GLU 114 HG2 GLU 114 12.305 -3.772 14.682 303 HG3 GLU 114 HG3 GLU 114 13.893 -3.319 15.306 304 H ALA 115 H ALA 115 12.766 0.414 17.425 305 HA ALA 115 HA ALA 115 10.180 1.267 18.408 306 HB1 ALA 115 HB1 ALA 115 12.943 2.521 18.673 307 HB2 ALA 115 HB2 ALA 115 11.523 2.960 19.634 308 HB3 ALA 115 HB3 ALA 115 12.228 1.327 19.775 309 H VAL 116 H VAL 116 12.607 2.840 16.256 310 HA VAL 116 HA VAL 116 11.028 5.147 15.687 311 HB VAL 116 HB VAL 116 13.256 3.824 14.106 312 HG11 VAL 116 HG11 VAL 116 12.021 5.292 12.580 313 HG12 VAL 116 HG12 VAL 116 12.010 6.594 13.795 314 HG13 VAL 116 HG13 VAL 116 13.534 6.080 13.045 315 HG21 VAL 116 HG21 VAL 116 13.883 4.670 16.415 316 HG22 VAL 116 HG22 VAL 116 14.628 5.586 15.110 317 HG23 VAL 116 HG23 VAL 116 13.233 6.244 15.978 318 H GLU 117 H GLU 117 11.143 1.985 13.890 319 HA GLU 117 HA GLU 117 9.201 2.890 11.938 320 HB2 GLU 117 HB2 GLU 117 10.077 0.132 12.895 321 HB3 GLU 117 HB3 GLU 117 8.776 0.339 11.727 322 HG2 GLU 117 HG2 GLU 117 11.632 1.324 11.358 323 HG3 GLU 117 HG3 GLU 117 10.921 -0.107 10.608 324 H SER 118 H SER 118 8.878 1.685 15.237 325 HA SER 118 HA SER 118 5.974 1.371 15.124 326 HB2 SER 118 HB2 SER 118 7.651 1.852 17.591 327 HB3 SER 118 HB3 SER 118 5.972 1.306 17.476 328 HG SER 118 HG SER 118 8.286 -0.075 16.532 329 H TRP 119 H TRP 119 8.113 4.171 15.447 330 HA TRP 119 HA TRP 119 5.973 6.014 16.222 331 HB2 TRP 119 HB2 TRP 119 8.597 6.717 14.884 332 HB3 TRP 119 HB3 TRP 119 7.524 7.767 15.765 333 HD1 TRP 119 HD1 TRP 119 7.471 5.356 18.221 334 HE1 TRP 119 HE1 TRP 119 9.391 5.477 19.909 335 HE3 TRP 119 HE3 TRP 119 10.733 8.332 15.565 336 HZ2 TRP 119 HZ2 TRP 119 12.003 6.662 20.088 337 HZ3 TRP 119 HZ3 TRP 119 12.862 9.043 16.605 338 HH2 TRP 119 HH2 TRP 119 13.523 8.208 18.843 339 H ALA 120 H ALA 120 6.749 4.432 13.242 340 HA ALA 120 HA ALA 120 6.280 6.575 11.439 341 HB1 ALA 120 HB1 ALA 120 7.469 4.395 10.927 342 HB2 ALA 120 HB2 ALA 120 5.869 3.629 10.827 343 HB3 ALA 120 HB3 ALA 120 6.297 4.934 9.706 344 H THR 121 H THR 121 4.534 7.213 10.245 345 HA THR 121 HA THR 121 1.935 5.757 10.340 346 HB THR 121 HB THR 121 0.905 8.162 10.217 347 HG1 THR 121 HG1 THR 121 3.241 8.664 11.758 348 HG21 THR 121 HG21 THR 121 0.404 6.587 12.026 349 HG22 THR 121 HG22 THR 121 1.884 7.083 12.886 350 HG23 THR 121 HG23 THR 121 0.556 8.245 12.630 351 H LEU 122 H LEU 122 1.392 5.197 8.453 352 HA LEU 122 HA LEU 122 2.517 6.302 6.003 353 HB2 LEU 122 HB2 LEU 122 0.397 4.268 6.743 354 HB3 LEU 122 HB3 LEU 122 0.693 4.693 5.055 355 HG LEU 122 HG LEU 122 2.908 3.688 6.894 356 HD11 LEU 122 HD11 LEU 122 1.147 1.963 6.749 357 HD12 LEU 122 HD12 LEU 122 1.144 2.094 4.976 358 HD13 LEU 122 HD13 LEU 122 2.577 1.476 5.828 359 HD21 LEU 122 HD21 LEU 122 3.635 4.852 4.790 360 HD22 LEU 122 HD22 LEU 122 4.004 3.121 4.736 361 HD23 LEU 122 HD23 LEU 122 2.608 3.757 3.846 362 H LEU 123 H LEU 123 1.822 8.051 4.939 363 HA LEU 123 HA LEU 123 -0.700 9.345 5.731 364 HB2 LEU 123 HB2 LEU 123 1.419 10.276 3.749 365 HB3 LEU 123 HB3 LEU 123 0.110 11.238 4.425 366 HG LEU 123 HG LEU 123 2.585 10.217 5.875 367 HD11 LEU 123 HD11 LEU 123 1.451 13.008 5.433 368 HD12 LEU 123 HD12 LEU 123 2.982 12.595 6.230 369 HD13 LEU 123 HD13 LEU 123 2.774 12.276 4.503 370 HD21 LEU 123 HD21 LEU 123 0.079 11.545 7.022 371 HD22 LEU 123 HD22 LEU 123 0.766 9.966 7.487 372 HD23 LEU 123 HD23 LEU 123 1.630 11.450 7.876 373 H GLY 124 H GLY 124 -1.301 7.021 4.602 374 HA2 GLY 124 HA2 GLY 124 -3.298 7.478 2.738 375 HA3 GLY 124 HA3 GLY 124 -1.881 7.109 1.746 376 H HIS 125 H HIS 125 -3.836 5.463 1.347 377 HA HIS 125 HA HIS 125 -2.967 2.868 2.422 378 HB2 HIS 125 HB2 HIS 125 -5.302 2.191 2.983 379 HB3 HIS 125 HB3 HIS 125 -4.589 3.370 4.070 380 HD1 HIS 125 HD1 HIS 125 -6.351 4.287 0.771 381 HD2 HIS 125 HD2 HIS 125 -6.778 4.527 4.960 382 HE1 HIS 125 HE1 HIS 125 -8.450 5.773 1.212 383 HE2 HIS 125 HE2 HIS 125 -8.683 5.916 3.781 Start of MODEL 12 1 H ALA 79 H1 ALA 79 4.539 2.128 -1.240 2 HA ALA 79 HA ALA 79 5.018 2.608 -3.558 3 HB1 ALA 79 HB1 ALA 79 2.349 1.247 -4.124 4 HB2 ALA 79 HB2 ALA 79 3.384 2.075 -5.304 5 HB3 ALA 79 HB3 ALA 79 3.957 0.596 -4.517 6 H ARG 80 H ARG 80 4.757 4.663 -4.033 7 HA ARG 80 HA ARG 80 4.004 6.822 -4.088 8 HB2 ARG 80 HB2 ARG 80 1.448 5.439 -4.827 9 HB3 ARG 80 HB3 ARG 80 1.893 7.134 -5.118 10 HG2 ARG 80 HG2 ARG 80 3.948 6.357 -6.340 11 HG3 ARG 80 HG3 ARG 80 3.370 4.690 -6.180 12 HD2 ARG 80 HD2 ARG 80 2.738 5.423 -8.328 13 HD3 ARG 80 HD3 ARG 80 1.263 5.371 -7.331 14 HE ARG 80 HE ARG 80 2.453 8.009 -7.315 15 HH11 ARG 80 HH21 ARG 80 0.532 5.980 -9.432 16 HH12 ARG 80 HH22 ARG 80 -0.177 7.348 -10.253 17 HH21 ARG 80 HH11 ARG 80 1.513 9.707 -8.405 18 HH22 ARG 80 HH12 ARG 80 0.380 9.396 -9.686 19 H LYS 81 H LYS 81 4.047 5.927 -1.384 20 HA LYS 81 HA LYS 81 2.190 7.917 -0.141 21 HB2 LYS 81 HB2 LYS 81 2.591 5.015 0.696 22 HB3 LYS 81 HB3 LYS 81 1.971 6.248 1.804 23 HG2 LYS 81 HG2 LYS 81 0.095 6.724 0.244 24 HG3 LYS 81 HG3 LYS 81 0.667 5.427 -0.824 25 HD2 LYS 81 HD2 LYS 81 0.362 3.781 1.020 26 HD3 LYS 81 HD3 LYS 81 -0.234 5.089 2.073 27 HE2 LYS 81 HE2 LYS 81 -2.086 5.537 0.475 28 HE3 LYS 81 HE3 LYS 81 -1.483 4.264 -0.593 29 HZ1 LYS 81 HZ1 LYS 81 -2.500 3.829 2.174 30 HZ2 LYS 81 HZ2 LYS 81 -3.296 3.454 0.804 31 HZ3 LYS 81 HZ3 LYS 81 -1.934 2.647 1.188 32 H VAL 82 H VAL 82 2.800 8.652 1.869 33 HA VAL 82 HA VAL 82 5.765 8.831 2.337 34 HB VAL 82 HB VAL 82 3.425 10.670 2.989 35 HG11 VAL 82 HG11 VAL 82 4.955 10.963 4.829 36 HG12 VAL 82 HG12 VAL 82 6.356 11.048 3.721 37 HG13 VAL 82 HG13 VAL 82 5.132 12.332 3.738 38 HG21 VAL 82 HG21 VAL 82 4.160 10.706 0.630 39 HG22 VAL 82 HG22 VAL 82 4.532 12.230 1.443 40 HG23 VAL 82 HG23 VAL 82 5.825 11.050 1.151 41 H LYS 83 H LYS 83 6.622 8.280 4.278 42 HA LYS 83 HA LYS 83 4.802 7.488 6.528 43 HB2 LYS 83 HB2 LYS 83 7.674 6.728 5.880 44 HB3 LYS 83 HB3 LYS 83 6.980 6.560 7.507 45 HG2 LYS 83 HG2 LYS 83 5.182 5.136 6.653 46 HG3 LYS 83 HG3 LYS 83 5.860 5.233 5.010 47 HD2 LYS 83 HD2 LYS 83 7.861 4.068 5.673 48 HD3 LYS 83 HD3 LYS 83 7.461 4.205 7.397 49 HE2 LYS 83 HE2 LYS 83 5.500 2.765 7.130 50 HE3 LYS 83 HE3 LYS 83 5.768 2.670 5.378 51 HZ1 LYS 83 HZ1 LYS 83 7.882 1.521 5.813 52 HZ2 LYS 83 HZ2 LYS 83 7.656 1.606 7.433 53 HZ3 LYS 83 HZ3 LYS 83 6.659 0.702 6.508 54 H GLN 84 H GLN 84 4.455 9.015 7.876 55 HA GLN 84 HA GLN 84 6.351 11.224 8.471 56 HB2 GLN 84 HB2 GLN 84 4.026 11.813 8.263 57 HB3 GLN 84 HB3 GLN 84 3.520 10.465 9.270 58 HG2 GLN 84 HG2 GLN 84 4.630 11.584 11.248 59 HG3 GLN 84 HG3 GLN 84 5.006 12.959 10.202 60 HE21 GLN 84 HE22 GLN 84 2.184 10.872 11.168 61 HE22 GLN 84 HE21 GLN 84 1.062 12.231 11.277 62 H TYR 85 H TYR 85 7.394 11.345 10.453 63 HA TYR 85 HA TYR 85 7.048 9.136 12.443 64 HB2 TYR 85 HB2 TYR 85 9.710 10.226 11.435 65 HB3 TYR 85 HB3 TYR 85 9.517 9.183 12.819 66 HD1 TYR 85 HD1 TYR 85 9.090 9.310 9.091 67 HD2 TYR 85 HD2 TYR 85 9.576 6.851 12.596 68 HE1 TYR 85 HE1 TYR 85 9.486 7.314 7.653 69 HE2 TYR 85 HE2 TYR 85 10.008 4.873 11.176 70 HH TYR 85 HH TYR 85 10.174 4.066 8.984 71 H LYS 86 H LYS 86 7.400 9.799 14.580 72 HA LYS 86 HA LYS 86 8.020 12.667 15.132 73 HB2 LYS 86 HB2 LYS 86 5.569 12.316 15.241 74 HB3 LYS 86 HB3 LYS 86 5.804 10.988 16.396 75 HG2 LYS 86 HG2 LYS 86 6.678 12.514 18.077 76 HG3 LYS 86 HG3 LYS 86 6.672 13.859 16.925 77 HD2 LYS 86 HD2 LYS 86 4.195 13.701 16.759 78 HD3 LYS 86 HD3 LYS 86 4.211 12.347 17.912 79 HE2 LYS 86 HE2 LYS 86 5.245 13.833 19.629 80 HE3 LYS 86 HE3 LYS 86 5.238 15.174 18.477 81 HZ1 LYS 86 HZ1 LYS 86 3.316 15.272 19.967 82 HZ2 LYS 86 HZ2 LYS 86 2.789 15.034 18.441 83 HZ3 LYS 86 HZ3 LYS 86 2.801 13.792 19.507 84 H ASN 87 H ASN 87 9.262 13.006 16.934 85 HA ASN 87 HA ASN 87 10.403 10.545 18.242 86 HB2 ASN 87 HB2 ASN 87 11.852 11.689 16.643 87 HB3 ASN 87 HB3 ASN 87 11.766 13.175 17.584 88 HD21 ASN 87 HD22 ASN 87 14.211 11.921 17.010 89 HD22 ASN 87 HD21 ASN 87 14.841 11.234 18.508 90 HA PRO 88 HA PRO 88 8.329 12.531 21.854 91 HB2 PRO 88 HB2 PRO 88 9.283 9.827 22.828 92 HB3 PRO 88 HB3 PRO 88 7.793 10.718 23.277 93 HG2 PRO 88 HG2 PRO 88 7.685 8.735 21.442 94 HG3 PRO 88 HG3 PRO 88 6.800 10.270 21.147 95 HD2 PRO 88 HD2 PRO 88 9.416 9.352 19.967 96 HD3 PRO 88 HD3 PRO 88 8.066 10.260 19.217 97 H HIS 89 H HIS 89 11.631 11.237 21.528 98 HA HIS 89 HA HIS 89 12.532 12.208 24.138 99 HB2 HIS 89 HB2 HIS 89 14.168 11.250 21.750 100 HB3 HIS 89 HB3 HIS 89 14.738 11.462 23.396 101 HD1 HIS 89 HD1 HIS 89 13.664 9.718 25.279 102 HD2 HIS 89 HD2 HIS 89 12.979 8.936 21.187 103 HE1 HIS 89 HE1 HIS 89 12.848 7.284 25.141 104 HE2 HIS 89 HE2 HIS 89 12.430 6.805 22.645 105 H THR 90 H THR 90 12.249 13.699 20.996 106 HA THR 90 HA THR 90 13.800 16.086 21.961 107 HB THR 90 HB THR 90 14.529 16.446 19.699 108 HG1 THR 90 HG1 THR 90 13.932 15.074 18.067 109 HG21 THR 90 HG21 THR 90 15.859 14.775 21.037 110 HG22 THR 90 HG22 THR 90 14.899 13.472 20.292 111 HG23 THR 90 HG23 THR 90 15.940 14.504 19.284 112 H GLY 91 H GLY 91 10.806 15.001 20.533 113 HA2 GLY 91 HA2 GLY 91 8.803 16.239 20.465 114 HA3 GLY 91 HA3 GLY 91 9.703 17.756 20.519 115 H GLU 92 H GLU 92 11.365 16.015 18.253 116 HA GLU 92 HA GLU 92 10.380 17.577 16.069 117 HB2 GLU 92 HB2 GLU 92 12.463 15.445 16.477 118 HB3 GLU 92 HB3 GLU 92 11.888 15.704 14.829 119 HG2 GLU 92 HG2 GLU 92 12.397 17.897 14.736 120 HG3 GLU 92 HG3 GLU 92 12.734 18.038 16.487 121 H VAL 93 H VAL 93 9.508 17.050 14.120 122 HA VAL 93 HA VAL 93 8.367 14.355 13.630 123 HB VAL 93 HB VAL 93 7.172 17.039 12.894 124 HG11 VAL 93 HG11 VAL 93 6.547 15.240 11.290 125 HG12 VAL 93 HG12 VAL 93 6.025 14.213 12.644 126 HG13 VAL 93 HG13 VAL 93 5.148 15.713 12.260 127 HG21 VAL 93 HG21 VAL 93 5.373 16.553 14.518 128 HG22 VAL 93 HG22 VAL 93 6.283 15.127 15.063 129 HG23 VAL 93 HG23 VAL 93 6.962 16.769 15.268 130 H ILE 94 H ILE 94 8.662 13.628 11.560 131 HA ILE 94 HA ILE 94 9.740 15.367 9.436 132 HB ILE 94 HB ILE 94 11.479 13.704 8.823 133 HG12 ILE 94 HG12 ILE 94 10.861 12.406 11.499 134 HG13 ILE 94 HG13 ILE 94 10.511 11.725 9.911 135 HG21 ILE 94 HG21 ILE 94 13.151 14.431 10.387 136 HG22 ILE 94 HG22 ILE 94 12.010 15.748 10.107 137 HG23 ILE 94 HG23 ILE 94 11.927 14.814 11.614 138 HD11 ILE 94 HD11 ILE 94 12.486 10.677 10.820 139 HD12 ILE 94 HD12 ILE 94 12.921 11.630 9.389 140 HD13 ILE 94 HD13 ILE 94 13.291 12.235 11.037 141 H GLU 95 H GLU 95 9.762 14.273 7.380 142 HA GLU 95 HA GLU 95 7.863 12.013 6.975 143 HB2 GLU 95 HB2 GLU 95 7.750 14.796 5.738 144 HB3 GLU 95 HB3 GLU 95 7.002 13.393 4.975 145 HG2 GLU 95 HG2 GLU 95 5.480 13.077 6.802 146 HG3 GLU 95 HG3 GLU 95 6.318 14.269 7.799 147 H THR 96 H THR 96 8.453 10.627 5.437 148 HA THR 96 HA THR 96 10.254 11.374 3.217 149 HB THR 96 HB THR 96 11.928 10.791 4.797 150 HG1 THR 96 HG1 THR 96 12.810 9.009 3.803 151 HG21 THR 96 HG21 THR 96 10.649 9.644 6.549 152 HG22 THR 96 HG22 THR 96 10.335 8.274 5.454 153 HG23 THR 96 HG23 THR 96 11.989 8.627 6.006 154 H LYS 97 H LYS 97 10.356 9.694 1.553 155 HA LYS 97 HA LYS 97 7.890 8.002 1.400 156 HB2 LYS 97 HB2 LYS 97 10.019 8.688 -0.667 157 HB3 LYS 97 HB3 LYS 97 8.637 7.617 -0.950 158 HG2 LYS 97 HG2 LYS 97 7.099 9.491 -0.274 159 HG3 LYS 97 HG3 LYS 97 8.480 10.580 -0.227 160 HD2 LYS 97 HD2 LYS 97 7.486 9.006 -2.646 161 HD3 LYS 97 HD3 LYS 97 7.188 10.714 -2.363 162 HE2 LYS 97 HE2 LYS 97 9.965 9.484 -2.763 163 HE3 LYS 97 HE3 LYS 97 8.988 10.188 -4.049 164 HZ1 LYS 97 HZ1 LYS 97 10.560 11.813 -3.211 165 HZ2 LYS 97 HZ2 LYS 97 9.049 12.330 -2.881 166 HZ3 LYS 97 HZ3 LYS 97 9.990 11.711 -1.686 167 H GLY 98 H GLY 98 10.903 7.587 2.707 168 HA2 GLY 98 HA2 GLY 98 11.336 5.463 3.773 169 HA3 GLY 98 HA3 GLY 98 10.808 4.608 2.322 170 H GLY 99 H GLY 99 12.744 7.256 1.416 171 HA2 GLY 99 HA2 GLY 99 15.000 5.598 0.615 172 HA3 GLY 99 HA3 GLY 99 14.820 7.334 0.388 173 H ASN 100 H ASN 100 17.249 6.717 0.923 174 HA ASN 100 HA ASN 100 18.053 6.472 3.678 175 HB2 ASN 100 HB2 ASN 100 19.461 5.798 1.760 176 HB3 ASN 100 HB3 ASN 100 19.552 7.479 1.222 177 HD21 ASN 100 HD22 ASN 100 21.893 7.342 1.396 178 HD22 ASN 100 HD21 ASN 100 22.651 7.432 2.980 179 H HIS 101 H HIS 101 16.736 7.986 4.747 180 HA HIS 101 HA HIS 101 17.327 10.896 4.405 181 HB2 HIS 101 HB2 HIS 101 14.993 9.992 4.248 182 HB3 HIS 101 HB3 HIS 101 15.079 9.493 5.930 183 HD1 HIS 101 HD1 HIS 101 14.832 11.515 7.734 184 HD2 HIS 101 HD2 HIS 101 14.762 12.595 3.666 185 HE1 HIS 101 HE1 HIS 101 14.256 14.038 7.667 186 HE2 HIS 101 HE2 HIS 101 14.148 14.663 5.164 187 H LYS 102 H LYS 102 19.260 11.155 5.456 188 HA LYS 102 HA LYS 102 20.432 9.861 7.502 189 HB2 LYS 102 HB2 LYS 102 21.461 11.615 6.120 190 HB3 LYS 102 HB3 LYS 102 20.544 12.854 6.963 191 HG2 LYS 102 HG2 LYS 102 22.820 12.866 7.720 192 HG3 LYS 102 HG3 LYS 102 21.787 12.380 9.058 193 HD2 LYS 102 HD2 LYS 102 22.456 10.014 8.754 194 HD3 LYS 102 HD3 LYS 102 23.406 10.464 7.316 195 HE2 LYS 102 HE2 LYS 102 24.781 11.998 8.746 196 HE3 LYS 102 HE3 LYS 102 23.876 11.469 10.166 197 HZ1 LYS 102 HZ1 LYS 102 25.968 10.242 9.935 198 HZ2 LYS 102 HZ2 LYS 102 24.729 9.194 9.759 199 HZ3 LYS 102 HZ3 LYS 102 25.566 9.713 8.446 200 H THR 103 H THR 103 18.282 12.645 8.242 201 HA THR 103 HA THR 103 18.530 12.599 11.036 202 HB THR 103 HB THR 103 15.981 13.196 9.479 203 HG1 THR 103 HG1 THR 103 16.873 15.321 9.393 204 HG21 THR 103 HG21 THR 103 17.015 14.310 12.121 205 HG22 THR 103 HG22 THR 103 15.572 14.876 11.240 206 HG23 THR 103 HG23 THR 103 15.605 13.246 11.914 207 H LEU 104 H LEU 104 16.519 10.439 9.041 208 HA LEU 104 HA LEU 104 15.068 9.279 11.330 209 HB2 LEU 104 HB2 LEU 104 14.108 9.345 9.015 210 HB3 LEU 104 HB3 LEU 104 15.440 8.334 8.440 211 HG LEU 104 HG LEU 104 14.661 6.506 9.976 212 HD11 LEU 104 HD11 LEU 104 12.249 8.327 10.379 213 HD12 LEU 104 HD12 LEU 104 12.385 6.637 10.890 214 HD13 LEU 104 HD13 LEU 104 13.412 7.859 11.644 215 HD21 LEU 104 HD21 LEU 104 12.526 7.519 8.062 216 HD22 LEU 104 HD22 LEU 104 13.980 6.606 7.583 217 HD23 LEU 104 HD23 LEU 104 12.757 5.851 8.615 218 H LYS 105 H LYS 105 17.848 8.379 9.205 219 HA LYS 105 HA LYS 105 18.493 5.929 10.441 220 HB2 LYS 105 HB2 LYS 105 19.449 7.124 8.304 221 HB3 LYS 105 HB3 LYS 105 20.627 7.827 9.449 222 HG2 LYS 105 HG2 LYS 105 21.307 5.549 10.140 223 HG3 LYS 105 HG3 LYS 105 20.081 4.852 9.057 224 HD2 LYS 105 HD2 LYS 105 21.244 5.856 7.099 225 HD3 LYS 105 HD3 LYS 105 22.486 6.522 8.187 226 HE2 LYS 105 HE2 LYS 105 23.065 4.218 8.934 227 HE3 LYS 105 HE3 LYS 105 21.808 3.553 7.888 228 HZ1 LYS 105 HZ1 LYS 105 23.991 3.431 6.829 229 HZ2 LYS 105 HZ2 LYS 105 23.036 4.425 5.959 230 HZ3 LYS 105 HZ3 LYS 105 24.209 5.043 6.925 231 H GLU 106 H GLU 106 19.633 9.206 11.292 232 HA GLU 106 HA GLU 106 21.160 8.458 13.530 233 HB2 GLU 106 HB2 GLU 106 19.652 10.977 12.779 234 HB3 GLU 106 HB3 GLU 106 20.313 10.822 14.408 235 HG2 GLU 106 HG2 GLU 106 22.536 10.328 13.490 236 HG3 GLU 106 HG3 GLU 106 21.902 10.535 11.841 237 H TRP 107 H TRP 107 17.649 9.174 13.404 238 HA TRP 107 HA TRP 107 17.204 8.710 16.187 239 HB2 TRP 107 HB2 TRP 107 15.270 8.392 13.861 240 HB3 TRP 107 HB3 TRP 107 14.826 8.397 15.552 241 HD1 TRP 107 HD1 TRP 107 17.332 11.036 15.279 242 HE1 TRP 107 HE1 TRP 107 16.289 13.346 15.024 243 HE3 TRP 107 HE3 TRP 107 12.528 9.647 14.087 244 HZ2 TRP 107 HZ2 TRP 107 13.767 14.461 14.355 245 HZ3 TRP 107 HZ3 TRP 107 10.806 11.402 13.707 246 HH2 TRP 107 HH2 TRP 107 11.415 13.828 13.848 247 H LYS 108 H LYS 108 17.163 6.403 13.453 248 HA LYS 108 HA LYS 108 16.338 4.078 14.985 249 HB2 LYS 108 HB2 LYS 108 18.038 4.258 12.448 250 HB3 LYS 108 HB3 LYS 108 17.334 2.761 13.117 251 HG2 LYS 108 HG2 LYS 108 15.054 3.742 12.838 252 HG3 LYS 108 HG3 LYS 108 15.758 5.175 12.131 253 HD2 LYS 108 HD2 LYS 108 15.510 4.202 10.126 254 HD3 LYS 108 HD3 LYS 108 16.901 3.195 10.542 255 HE2 LYS 108 HE2 LYS 108 15.292 1.578 11.641 256 HE3 LYS 108 HE3 LYS 108 13.947 2.569 11.046 257 HZ1 LYS 108 HZ1 LYS 108 15.926 1.126 9.326 258 HZ2 LYS 108 HZ2 LYS 108 14.354 0.708 9.573 259 HZ3 LYS 108 HZ3 LYS 108 14.723 2.083 8.752 260 H ALA 109 H ALA 109 19.533 5.487 14.329 261 HA ALA 109 HA ALA 109 21.019 3.428 15.718 262 HB1 ALA 109 HB1 ALA 109 21.738 6.316 15.040 263 HB2 ALA 109 HB2 ALA 109 22.880 5.041 15.519 264 HB3 ALA 109 HB3 ALA 109 21.983 4.897 13.994 265 H LYS 110 H LYS 110 19.672 6.561 16.742 266 HA LYS 110 HA LYS 110 20.890 6.489 19.399 267 HB2 LYS 110 HB2 LYS 110 18.839 8.298 18.082 268 HB3 LYS 110 HB3 LYS 110 19.427 8.551 19.735 269 HG2 LYS 110 HG2 LYS 110 21.701 8.887 18.983 270 HG3 LYS 110 HG3 LYS 110 21.294 8.400 17.335 271 HD2 LYS 110 HD2 LYS 110 19.662 10.378 17.264 272 HD3 LYS 110 HD3 LYS 110 20.392 10.917 18.791 273 HE2 LYS 110 HE2 LYS 110 22.647 10.873 17.638 274 HE3 LYS 110 HE3 LYS 110 21.833 10.450 16.127 275 HZ1 LYS 110 HZ1 LYS 110 22.033 12.747 15.997 276 HZ2 LYS 110 HZ2 LYS 110 20.511 12.626 16.543 277 HZ3 LYS 110 HZ3 LYS 110 21.702 13.020 17.595 278 H TRP 111 H TRP 111 17.647 5.709 18.240 279 HA TRP 111 HA TRP 111 16.864 4.909 21.018 280 HB2 TRP 111 HB2 TRP 111 15.233 6.336 18.890 281 HB3 TRP 111 HB3 TRP 111 14.592 5.735 20.415 282 HD1 TRP 111 HD1 TRP 111 15.935 6.670 22.697 283 HE1 TRP 111 HE1 TRP 111 16.852 9.002 23.232 284 HE3 TRP 111 HE3 TRP 111 15.941 8.639 17.981 285 HZ2 TRP 111 HZ2 TRP 111 17.661 11.363 21.780 286 HZ3 TRP 111 HZ3 TRP 111 16.883 10.924 17.579 287 HH2 TRP 111 HH2 TRP 111 17.730 12.283 19.469 288 H GLY 112 H GLY 112 17.386 3.520 18.041 289 HA2 GLY 112 HA2 GLY 112 17.323 1.163 17.904 290 HA3 GLY 112 HA3 GLY 112 15.855 1.094 18.858 291 HA PRO 113 HA PRO 113 15.076 1.845 14.115 292 HB2 PRO 113 HB2 PRO 113 15.402 -0.690 12.937 293 HB3 PRO 113 HB3 PRO 113 16.585 0.646 12.892 294 HG2 PRO 113 HG2 PRO 113 16.509 -1.713 14.750 295 HG3 PRO 113 HG3 PRO 113 17.922 -0.915 13.937 296 HD2 PRO 113 HD2 PRO 113 17.318 -0.497 16.537 297 HD3 PRO 113 HD3 PRO 113 17.956 0.808 15.485 298 H GLU 114 H GLU 114 14.262 -1.084 16.035 299 HA GLU 114 HA GLU 114 11.727 -1.509 14.788 300 HB2 GLU 114 HB2 GLU 114 12.822 -2.304 17.516 301 HB3 GLU 114 HB3 GLU 114 11.261 -2.855 16.882 302 HG2 GLU 114 HG2 GLU 114 12.415 -3.864 14.921 303 HG3 GLU 114 HG3 GLU 114 13.973 -3.382 15.596 304 H ALA 115 H ALA 115 12.719 0.368 17.622 305 HA ALA 115 HA ALA 115 10.075 1.198 18.462 306 HB1 ALA 115 HB1 ALA 115 12.813 2.493 18.849 307 HB2 ALA 115 HB2 ALA 115 11.334 2.944 19.711 308 HB3 ALA 115 HB3 ALA 115 12.039 1.325 19.938 309 H VAL 116 H VAL 116 12.590 2.802 16.436 310 HA VAL 116 HA VAL 116 11.009 5.075 15.771 311 HB VAL 116 HB VAL 116 13.369 3.795 14.373 312 HG11 VAL 116 HG11 VAL 116 12.130 6.553 13.931 313 HG12 VAL 116 HG12 VAL 116 13.695 6.012 13.283 314 HG13 VAL 116 HG13 VAL 116 12.200 5.235 12.741 315 HG21 VAL 116 HG21 VAL 116 13.804 4.663 16.704 316 HG22 VAL 116 HG22 VAL 116 14.641 5.572 15.462 317 HG23 VAL 116 HG23 VAL 116 13.185 6.230 16.205 318 H GLU 117 H GLU 117 11.306 1.914 14.012 319 HA GLU 117 HA GLU 117 9.535 2.764 11.874 320 HB2 GLU 117 HB2 GLU 117 10.421 0.050 12.910 321 HB3 GLU 117 HB3 GLU 117 9.248 0.223 11.595 322 HG2 GLU 117 HG2 GLU 117 10.817 1.510 10.254 323 HG3 GLU 117 HG3 GLU 117 12.004 1.520 11.545 324 H SER 118 H SER 118 8.942 1.667 15.157 325 HA SER 118 HA SER 118 6.052 1.297 14.774 326 HB2 SER 118 HB2 SER 118 7.510 1.731 17.385 327 HB3 SER 118 HB3 SER 118 5.858 1.169 17.121 328 HG SER 118 HG SER 118 8.267 -0.167 16.382 329 H TRP 119 H TRP 119 8.160 4.098 15.315 330 HA TRP 119 HA TRP 119 6.004 5.924 16.050 331 HB2 TRP 119 HB2 TRP 119 8.647 6.635 14.747 332 HB3 TRP 119 HB3 TRP 119 7.560 7.695 15.598 333 HD1 TRP 119 HD1 TRP 119 7.510 5.227 18.038 334 HE1 TRP 119 HE1 TRP 119 9.374 5.405 19.777 335 HE3 TRP 119 HE3 TRP 119 10.716 8.356 15.497 336 HZ2 TRP 119 HZ2 TRP 119 11.938 6.670 20.024 337 HZ3 TRP 119 HZ3 TRP 119 12.802 9.125 16.582 338 HH2 TRP 119 HH2 TRP 119 13.442 8.288 18.826 339 H ALA 120 H ALA 120 6.902 4.440 13.045 340 HA ALA 120 HA ALA 120 6.355 6.535 11.244 341 HB1 ALA 120 HB1 ALA 120 5.937 3.573 10.708 342 HB2 ALA 120 HB2 ALA 120 6.271 4.850 9.516 343 HB3 ALA 120 HB3 ALA 120 7.516 4.378 10.693 344 H THR 121 H THR 121 4.566 7.266 10.172 345 HA THR 121 HA THR 121 1.952 5.827 10.294 346 HB THR 121 HB THR 121 0.948 8.238 10.308 347 HG1 THR 121 HG1 THR 121 3.382 8.682 11.714 348 HG21 THR 121 HG21 THR 121 2.065 7.082 12.890 349 HG22 THR 121 HG22 THR 121 0.737 8.259 12.744 350 HG23 THR 121 HG23 THR 121 0.536 6.620 12.102 351 H LEU 122 H LEU 122 1.227 5.412 8.418 352 HA LEU 122 HA LEU 122 2.320 6.573 5.974 353 HB2 LEU 122 HB2 LEU 122 0.145 4.575 6.688 354 HB3 LEU 122 HB3 LEU 122 0.423 5.066 5.012 355 HG LEU 122 HG LEU 122 2.627 3.898 6.766 356 HD11 LEU 122 HD11 LEU 122 0.793 2.453 4.797 357 HD12 LEU 122 HD12 LEU 122 2.211 1.751 5.610 358 HD13 LEU 122 HD13 LEU 122 0.803 2.244 6.561 359 HD21 LEU 122 HD21 LEU 122 2.298 4.151 3.729 360 HD22 LEU 122 HD22 LEU 122 3.388 5.133 4.724 361 HD23 LEU 122 HD23 LEU 122 3.668 3.393 4.561 362 H LEU 123 H LEU 123 1.748 8.499 5.227 363 HA LEU 123 HA LEU 123 -0.752 9.809 6.010 364 HB2 LEU 123 HB2 LEU 123 1.324 10.649 3.941 365 HB3 LEU 123 HB3 LEU 123 0.047 11.650 4.622 366 HG LEU 123 HG LEU 123 2.541 10.626 6.040 367 HD11 LEU 123 HD11 LEU 123 1.452 13.425 5.526 368 HD12 LEU 123 HD12 LEU 123 2.986 13.005 6.317 369 HD13 LEU 123 HD13 LEU 123 2.748 12.632 4.606 370 HD21 LEU 123 HD21 LEU 123 0.099 12.045 7.208 371 HD22 LEU 123 HD22 LEU 123 0.759 10.468 7.706 372 HD23 LEU 123 HD23 LEU 123 1.668 11.941 8.027 373 H GLY 124 H GLY 124 -2.281 10.701 4.430 374 HA2 GLY 124 HA2 GLY 124 -2.504 9.854 1.719 375 HA3 GLY 124 HA3 GLY 124 -3.468 8.775 2.728 376 H HIS 125 H HIS 125 -4.927 9.977 0.985 377 HA HIS 125 HA HIS 125 -6.574 11.940 2.445 378 HB2 HIS 125 HB2 HIS 125 -5.099 13.359 1.303 379 HB3 HIS 125 HB3 HIS 125 -5.333 12.525 -0.242 380 HD1 HIS 125 HD1 HIS 125 -7.732 12.997 -1.483 381 HD2 HIS 125 HD2 HIS 125 -6.934 15.142 2.068 382 HE1 HIS 125 HE1 HIS 125 -9.455 14.917 -1.388 383 HE2 HIS 125 HE2 HIS 125 -8.968 16.217 0.786 Start of MODEL 13 1 H ALA 79 H1 ALA 79 1.525 1.185 -0.675 2 HA ALA 79 HA ALA 79 3.640 0.450 -1.585 3 HB1 ALA 79 HB1 ALA 79 2.736 -0.732 -3.548 4 HB2 ALA 79 HB2 ALA 79 2.301 0.816 -4.305 5 HB3 ALA 79 HB3 ALA 79 4.006 0.410 -4.008 6 H ARG 80 H ARG 80 5.122 1.939 -1.392 7 HA ARG 80 HA ARG 80 6.290 3.867 -1.329 8 HB2 ARG 80 HB2 ARG 80 5.070 4.264 -4.057 9 HB3 ARG 80 HB3 ARG 80 6.535 5.025 -3.399 10 HG2 ARG 80 HG2 ARG 80 7.527 2.792 -3.018 11 HG3 ARG 80 HG3 ARG 80 6.134 2.039 -3.818 12 HD2 ARG 80 HD2 ARG 80 6.628 3.318 -5.882 13 HD3 ARG 80 HD3 ARG 80 8.044 4.045 -5.085 14 HE ARG 80 HE ARG 80 8.298 1.230 -4.876 15 HH11 ARG 80 HH11 ARG 80 8.396 3.610 -7.447 16 HH12 ARG 80 HH12 ARG 80 9.450 2.639 -8.438 17 HH21 ARG 80 HH21 ARG 80 9.632 0.031 -6.194 18 HH22 ARG 80 HH22 ARG 80 10.125 0.657 -7.739 19 H LYS 81 H LYS 81 3.586 4.210 -0.119 20 HA LYS 81 HA LYS 81 3.068 7.126 -0.285 21 HB2 LYS 81 HB2 LYS 81 2.010 4.841 1.391 22 HB3 LYS 81 HB3 LYS 81 1.879 6.483 2.009 23 HG2 LYS 81 HG2 LYS 81 -0.161 5.758 0.836 24 HG3 LYS 81 HG3 LYS 81 0.554 7.230 0.193 25 HD2 LYS 81 HD2 LYS 81 1.492 5.989 -1.722 26 HD3 LYS 81 HD3 LYS 81 0.816 4.476 -1.069 27 HE2 LYS 81 HE2 LYS 81 -1.460 5.375 -1.283 28 HE3 LYS 81 HE3 LYS 81 -0.822 6.946 -1.797 29 HZ1 LYS 81 HZ1 LYS 81 -1.525 5.629 -3.712 30 HZ2 LYS 81 HZ2 LYS 81 0.088 5.854 -3.791 31 HZ3 LYS 81 HZ3 LYS 81 -0.521 4.407 -3.329 32 H VAL 82 H VAL 82 3.387 8.590 1.347 33 HA VAL 82 HA VAL 82 6.075 8.624 2.436 34 HB VAL 82 HB VAL 82 3.638 10.388 2.875 35 HG11 VAL 82 HG11 VAL 82 6.487 10.855 3.839 36 HG12 VAL 82 HG12 VAL 82 5.230 12.104 3.744 37 HG13 VAL 82 HG13 VAL 82 5.007 10.741 4.835 38 HG21 VAL 82 HG21 VAL 82 4.661 10.380 0.571 39 HG22 VAL 82 HG22 VAL 82 4.821 11.950 1.383 40 HG23 VAL 82 HG23 VAL 82 6.215 10.852 1.297 41 H LYS 83 H LYS 83 6.836 8.092 4.380 42 HA LYS 83 HA LYS 83 4.968 7.307 6.594 43 HB2 LYS 83 HB2 LYS 83 7.891 6.642 6.057 44 HB3 LYS 83 HB3 LYS 83 7.148 6.497 7.662 45 HG2 LYS 83 HG2 LYS 83 5.446 4.962 6.788 46 HG3 LYS 83 HG3 LYS 83 6.204 5.022 5.180 47 HD2 LYS 83 HD2 LYS 83 8.243 4.019 6.027 48 HD3 LYS 83 HD3 LYS 83 7.691 4.168 7.706 49 HE2 LYS 83 HE2 LYS 83 5.893 2.579 7.354 50 HE3 LYS 83 HE3 LYS 83 6.256 2.479 5.619 51 HZ1 LYS 83 HZ1 LYS 83 8.405 1.485 6.162 52 HZ2 LYS 83 HZ2 LYS 83 8.150 1.607 7.777 53 HZ3 LYS 83 HZ3 LYS 83 7.228 0.601 6.865 54 H GLN 84 H GLN 84 4.532 8.867 7.886 55 HA GLN 84 HA GLN 84 6.348 11.150 8.467 56 HB2 GLN 84 HB2 GLN 84 4.004 11.669 8.151 57 HB3 GLN 84 HB3 GLN 84 3.508 10.345 9.191 58 HG2 GLN 84 HG2 GLN 84 4.506 11.558 11.160 59 HG3 GLN 84 HG3 GLN 84 4.902 12.909 10.078 60 HE21 GLN 84 HE22 GLN 84 2.095 10.792 11.014 61 HE22 GLN 84 HE21 GLN 84 0.933 12.120 11.022 62 H TYR 85 H TYR 85 7.318 11.359 10.489 63 HA TYR 85 HA TYR 85 6.954 9.193 12.520 64 HB2 TYR 85 HB2 TYR 85 9.636 10.274 11.570 65 HB3 TYR 85 HB3 TYR 85 9.399 9.187 12.913 66 HD1 TYR 85 HD2 TYR 85 9.160 9.472 9.187 67 HD2 TYR 85 HD1 TYR 85 9.347 6.835 12.596 68 HE1 TYR 85 HE2 TYR 85 9.657 7.547 7.690 69 HE2 TYR 85 HE1 TYR 85 9.878 4.921 11.108 70 HH TYR 85 HH TYR 85 10.324 4.262 8.947 71 H LYS 86 H LYS 86 7.427 9.875 14.647 72 HA LYS 86 HA LYS 86 8.027 12.755 15.137 73 HB2 LYS 86 HB2 LYS 86 5.585 12.436 15.288 74 HB3 LYS 86 HB3 LYS 86 5.820 11.113 16.448 75 HG2 LYS 86 HG2 LYS 86 6.730 12.668 18.103 76 HG3 LYS 86 HG3 LYS 86 6.680 13.997 16.937 77 HD2 LYS 86 HD2 LYS 86 4.203 13.791 16.817 78 HD3 LYS 86 HD3 LYS 86 4.267 12.468 18.005 79 HE2 LYS 86 HE2 LYS 86 5.316 14.013 19.658 80 HE3 LYS 86 HE3 LYS 86 5.250 15.325 18.473 81 HZ1 LYS 86 HZ1 LYS 86 2.864 13.918 19.577 82 HZ2 LYS 86 HZ2 LYS 86 3.357 15.413 20.008 83 HZ3 LYS 86 HZ3 LYS 86 2.815 15.144 18.495 84 H ASN 87 H ASN 87 9.289 13.131 16.934 85 HA ASN 87 HA ASN 87 10.366 10.707 18.356 86 HB2 ASN 87 HB2 ASN 87 11.886 11.661 16.690 87 HB3 ASN 87 HB3 ASN 87 11.887 13.199 17.556 88 HD21 ASN 87 HD22 ASN 87 14.293 12.128 17.197 89 HD22 ASN 87 HD21 ASN 87 14.865 11.329 18.656 90 HA PRO 88 HA PRO 88 8.325 13.011 21.783 91 HB2 PRO 88 HB2 PRO 88 9.204 10.372 22.981 92 HB3 PRO 88 HB3 PRO 88 7.728 11.327 23.335 93 HG2 PRO 88 HG2 PRO 88 7.604 9.217 21.646 94 HG3 PRO 88 HG3 PRO 88 6.760 10.751 21.224 95 HD2 PRO 88 HD2 PRO 88 9.377 9.682 20.182 96 HD3 PRO 88 HD3 PRO 88 8.065 10.549 19.321 97 H HIS 89 H HIS 89 11.597 11.651 21.645 98 HA HIS 89 HA HIS 89 12.576 12.682 24.145 99 HB2 HIS 89 HB2 HIS 89 14.150 12.096 21.598 100 HB3 HIS 89 HB3 HIS 89 14.799 12.238 23.225 101 HD1 HIS 89 HD1 HIS 89 13.146 9.737 20.950 102 HD2 HIS 89 HD2 HIS 89 14.026 10.272 25.052 103 HE1 HIS 89 HE1 HIS 89 12.821 7.422 22.096 104 HE2 HIS 89 HE2 HIS 89 13.362 7.773 24.584 105 H THR 90 H THR 90 12.205 14.237 20.998 106 HA THR 90 HA THR 90 13.309 16.796 22.111 107 HB THR 90 HB THR 90 14.096 17.308 19.869 108 HG1 THR 90 HG1 THR 90 13.868 15.899 18.231 109 HG21 THR 90 HG21 THR 90 15.585 15.886 21.342 110 HG22 THR 90 HG22 THR 90 14.925 14.444 20.524 111 HG23 THR 90 HG23 THR 90 15.850 15.649 19.600 112 H GLY 91 H GLY 91 10.561 15.311 20.593 113 HA2 GLY 91 HA2 GLY 91 8.429 16.256 20.296 114 HA3 GLY 91 HA3 GLY 91 9.101 17.886 20.422 115 H GLU 92 H GLU 92 11.119 16.207 18.325 116 HA GLU 92 HA GLU 92 10.326 17.650 16.011 117 HB2 GLU 92 HB2 GLU 92 12.276 15.460 16.669 118 HB3 GLU 92 HB3 GLU 92 11.847 15.651 14.977 119 HG2 GLU 92 HG2 GLU 92 12.516 17.777 14.768 120 HG3 GLU 92 HG3 GLU 92 12.593 18.096 16.523 121 H VAL 93 H VAL 93 9.531 17.083 14.057 122 HA VAL 93 HA VAL 93 8.324 14.412 13.593 123 HB VAL 93 HB VAL 93 7.188 17.113 12.837 124 HG11 VAL 93 HG11 VAL 93 5.964 14.322 12.605 125 HG12 VAL 93 HG12 VAL 93 5.136 15.847 12.216 126 HG13 VAL 93 HG13 VAL 93 6.513 15.324 11.243 127 HG21 VAL 93 HG21 VAL 93 5.370 16.669 14.459 128 HG22 VAL 93 HG22 VAL 93 6.267 15.235 15.027 129 HG23 VAL 93 HG23 VAL 93 6.966 16.869 15.200 130 H ILE 94 H ILE 94 8.602 13.657 11.523 131 HA ILE 94 HA ILE 94 9.717 15.345 9.373 132 HB ILE 94 HB ILE 94 11.457 13.661 8.823 133 HG12 ILE 94 HG12 ILE 94 10.845 12.468 11.553 134 HG13 ILE 94 HG13 ILE 94 10.499 11.717 9.996 135 HG21 ILE 94 HG21 ILE 94 11.953 15.763 10.058 136 HG22 ILE 94 HG22 ILE 94 11.905 14.844 11.582 137 HG23 ILE 94 HG23 ILE 94 13.122 14.473 10.341 138 HD11 ILE 94 HD11 ILE 94 13.277 12.313 11.078 139 HD12 ILE 94 HD12 ILE 94 12.484 10.743 10.974 140 HD13 ILE 94 HD13 ILE 94 12.902 11.601 9.476 141 H GLU 95 H GLU 95 9.747 14.229 7.347 142 HA GLU 95 HA GLU 95 7.914 11.911 6.957 143 HB2 GLU 95 HB2 GLU 95 7.719 14.672 5.684 144 HB3 GLU 95 HB3 GLU 95 7.052 13.238 4.911 145 HG2 GLU 95 HG2 GLU 95 5.505 12.857 6.709 146 HG3 GLU 95 HG3 GLU 95 6.253 14.113 7.701 147 H THR 96 H THR 96 8.548 10.525 5.434 148 HA THR 96 HA THR 96 10.314 11.308 3.202 149 HB THR 96 HB THR 96 12.016 10.799 4.755 150 HG1 THR 96 HG1 THR 96 12.935 9.002 3.794 151 HG21 THR 96 HG21 THR 96 12.160 8.663 6.012 152 HG22 THR 96 HG22 THR 96 10.795 9.653 6.552 153 HG23 THR 96 HG23 THR 96 10.517 8.252 5.484 154 H LYS 97 H LYS 97 10.397 9.657 1.517 155 HA LYS 97 HA LYS 97 8.003 7.878 1.421 156 HB2 LYS 97 HB2 LYS 97 10.109 8.631 -0.647 157 HB3 LYS 97 HB3 LYS 97 8.790 7.487 -0.938 158 HG2 LYS 97 HG2 LYS 97 7.127 9.235 -0.340 159 HG3 LYS 97 HG3 LYS 97 8.429 10.419 -0.172 160 HD2 LYS 97 HD2 LYS 97 7.738 8.911 -2.734 161 HD3 LYS 97 HD3 LYS 97 7.247 10.567 -2.343 162 HE2 LYS 97 HE2 LYS 97 9.655 11.232 -2.188 163 HE3 LYS 97 HE3 LYS 97 10.127 9.595 -2.656 164 HZ1 LYS 97 HZ1 LYS 97 10.099 11.080 -4.577 165 HZ2 LYS 97 HZ2 LYS 97 8.956 9.936 -4.778 166 HZ3 LYS 97 HZ3 LYS 97 8.523 11.457 -4.347 167 H GLY 98 H GLY 98 11.050 7.541 2.695 168 HA2 GLY 98 HA2 GLY 98 11.503 5.413 3.784 169 HA3 GLY 98 HA3 GLY 98 11.022 4.556 2.323 170 H GLY 99 H GLY 99 12.876 7.237 1.401 171 HA2 GLY 99 HA2 GLY 99 15.201 5.647 0.660 172 HA3 GLY 99 HA3 GLY 99 14.971 7.374 0.413 173 H ASN 100 H ASN 100 17.407 6.847 0.989 174 HA ASN 100 HA ASN 100 18.173 6.617 3.747 175 HB2 ASN 100 HB2 ASN 100 19.629 5.985 1.862 176 HB3 ASN 100 HB3 ASN 100 19.680 7.663 1.318 177 HD21 ASN 100 HD22 ASN 100 22.018 7.636 1.528 178 HD22 ASN 100 HD21 ASN 100 22.751 7.733 3.122 179 H HIS 101 H HIS 101 16.795 8.102 4.814 180 HA HIS 101 HA HIS 101 17.353 11.022 4.505 181 HB2 HIS 101 HB2 HIS 101 15.028 10.082 4.341 182 HB3 HIS 101 HB3 HIS 101 15.125 9.595 6.027 183 HD1 HIS 101 HD1 HIS 101 14.811 11.601 7.817 184 HD2 HIS 101 HD2 HIS 101 14.832 12.704 3.751 185 HE1 HIS 101 HE1 HIS 101 14.238 14.122 7.756 186 HE2 HIS 101 HE2 HIS 101 14.169 14.760 5.249 187 H LYS 102 H LYS 102 19.294 11.285 5.573 188 HA LYS 102 HA LYS 102 20.422 9.936 7.622 189 HB2 LYS 102 HB2 LYS 102 21.524 11.638 6.245 190 HB3 LYS 102 HB3 LYS 102 20.646 12.922 7.063 191 HG2 LYS 102 HG2 LYS 102 22.928 12.838 7.829 192 HG3 LYS 102 HG3 LYS 102 21.850 12.445 9.164 193 HD2 LYS 102 HD2 LYS 102 22.355 10.031 8.888 194 HD3 LYS 102 HD3 LYS 102 23.403 10.381 7.510 195 HE2 LYS 102 HE2 LYS 102 23.820 11.440 10.351 196 HE3 LYS 102 HE3 LYS 102 24.557 9.961 9.729 197 HZ1 LYS 102 HZ1 LYS 102 25.696 11.316 8.032 198 HZ2 LYS 102 HZ2 LYS 102 25.048 12.695 8.638 199 HZ3 LYS 102 HZ3 LYS 102 26.092 11.820 9.532 200 H THR 103 H THR 103 18.289 12.735 8.328 201 HA THR 103 HA THR 103 18.528 12.688 11.133 202 HB THR 103 HB THR 103 15.990 13.299 9.551 203 HG1 THR 103 HG1 THR 103 16.876 15.425 9.498 204 HG21 THR 103 HG21 THR 103 16.982 14.384 12.224 205 HG22 THR 103 HG22 THR 103 15.552 14.955 11.330 206 HG23 THR 103 HG23 THR 103 15.581 13.313 11.982 207 H LEU 104 H LEU 104 16.537 10.535 9.116 208 HA LEU 104 HA LEU 104 15.116 9.331 11.419 209 HB2 LEU 104 HB2 LEU 104 14.165 9.446 9.047 210 HB3 LEU 104 HB3 LEU 104 15.453 8.356 8.531 211 HG LEU 104 HG LEU 104 14.561 6.689 10.272 212 HD11 LEU 104 HD11 LEU 104 13.191 8.257 11.622 213 HD12 LEU 104 HD12 LEU 104 12.156 8.552 10.199 214 HD13 LEU 104 HD13 LEU 104 12.223 6.948 10.937 215 HD21 LEU 104 HD21 LEU 104 12.806 5.875 8.819 216 HD22 LEU 104 HD22 LEU 104 12.673 7.458 8.025 217 HD23 LEU 104 HD23 LEU 104 14.149 6.477 7.837 218 H LYS 105 H LYS 105 17.882 8.518 9.233 219 HA LYS 105 HA LYS 105 18.556 6.029 10.382 220 HB2 LYS 105 HB2 LYS 105 19.514 7.280 8.296 221 HB3 LYS 105 HB3 LYS 105 20.658 8.006 9.464 222 HG2 LYS 105 HG2 LYS 105 21.398 5.739 10.129 223 HG3 LYS 105 HG3 LYS 105 20.229 5.023 8.998 224 HD2 LYS 105 HD2 LYS 105 21.401 6.131 7.102 225 HD3 LYS 105 HD3 LYS 105 22.584 6.819 8.236 226 HE2 LYS 105 HE2 LYS 105 23.235 4.525 8.943 227 HE3 LYS 105 HE3 LYS 105 22.051 3.837 7.824 228 HZ1 LYS 105 HZ1 LYS 105 23.314 4.847 5.979 229 HZ2 LYS 105 HZ2 LYS 105 24.417 5.468 7.019 230 HZ3 LYS 105 HZ3 LYS 105 24.278 3.854 6.840 231 H GLU 106 H GLU 106 19.649 9.285 11.355 232 HA GLU 106 HA GLU 106 21.183 8.482 13.566 233 HB2 GLU 106 HB2 GLU 106 19.663 11.011 12.887 234 HB3 GLU 106 HB3 GLU 106 20.317 10.812 14.515 235 HG2 GLU 106 HG2 GLU 106 22.547 10.345 13.589 236 HG3 GLU 106 HG3 GLU 106 21.908 10.598 11.943 237 H TRP 107 H TRP 107 17.670 9.193 13.455 238 HA TRP 107 HA TRP 107 17.207 8.645 16.222 239 HB2 TRP 107 HB2 TRP 107 15.298 8.377 13.875 240 HB3 TRP 107 HB3 TRP 107 14.840 8.338 15.560 241 HD1 TRP 107 HD1 TRP 107 17.332 11.003 15.360 242 HE1 TRP 107 HE1 TRP 107 16.271 13.313 15.150 243 HE3 TRP 107 HE3 TRP 107 12.548 9.610 14.104 244 HZ2 TRP 107 HZ2 TRP 107 13.742 14.428 14.480 245 HZ3 TRP 107 HZ3 TRP 107 10.816 11.358 13.729 246 HH2 TRP 107 HH2 TRP 107 11.409 13.782 13.914 247 H LYS 108 H LYS 108 17.170 6.420 13.420 248 HA LYS 108 HA LYS 108 16.333 4.050 14.878 249 HB2 LYS 108 HB2 LYS 108 17.996 4.323 12.329 250 HB3 LYS 108 HB3 LYS 108 17.281 2.801 12.935 251 HG2 LYS 108 HG2 LYS 108 15.014 3.711 12.657 252 HG3 LYS 108 HG3 LYS 108 15.647 5.266 12.196 253 HD2 LYS 108 HD2 LYS 108 15.336 4.563 10.088 254 HD3 LYS 108 HD3 LYS 108 16.882 3.742 10.293 255 HE2 LYS 108 HE2 LYS 108 15.644 1.688 11.021 256 HE3 LYS 108 HE3 LYS 108 14.106 2.553 10.805 257 HZ1 LYS 108 HZ1 LYS 108 14.664 1.174 8.851 258 HZ2 LYS 108 HZ2 LYS 108 14.635 2.743 8.411 259 HZ3 LYS 108 HZ3 LYS 108 16.066 1.970 8.614 260 H ALA 109 H ALA 109 19.522 5.463 14.247 261 HA ALA 109 HA ALA 109 21.019 3.350 15.547 262 HB1 ALA 109 HB1 ALA 109 21.732 6.263 14.984 263 HB2 ALA 109 HB2 ALA 109 22.873 4.970 15.414 264 HB3 ALA 109 HB3 ALA 109 21.980 4.889 13.879 265 H LYS 110 H LYS 110 19.707 6.463 16.689 266 HA LYS 110 HA LYS 110 20.922 6.294 19.332 267 HB2 LYS 110 HB2 LYS 110 18.842 8.133 18.103 268 HB3 LYS 110 HB3 LYS 110 19.442 8.331 19.753 269 HG2 LYS 110 HG2 LYS 110 21.707 8.709 19.001 270 HG3 LYS 110 HG3 LYS 110 21.299 8.284 17.338 271 HD2 LYS 110 HD2 LYS 110 19.646 10.242 17.346 272 HD3 LYS 110 HD3 LYS 110 20.372 10.734 18.891 273 HE2 LYS 110 HE2 LYS 110 22.630 10.764 17.740 274 HE3 LYS 110 HE3 LYS 110 21.829 10.370 16.217 275 HZ1 LYS 110 HZ1 LYS 110 20.467 12.519 16.706 276 HZ2 LYS 110 HZ2 LYS 110 21.675 12.898 17.746 277 HZ3 LYS 110 HZ3 LYS 110 21.983 12.671 16.138 278 H TRP 111 H TRP 111 17.676 5.517 18.161 279 HA TRP 111 HA TRP 111 16.926 4.611 20.924 280 HB2 TRP 111 HB2 TRP 111 15.261 6.057 18.832 281 HB3 TRP 111 HB3 TRP 111 14.640 5.412 20.346 282 HD1 TRP 111 HD1 TRP 111 15.998 6.314 22.643 283 HE1 TRP 111 HE1 TRP 111 16.844 8.658 23.239 284 HE3 TRP 111 HE3 TRP 111 15.912 8.404 17.984 285 HZ2 TRP 111 HZ2 TRP 111 17.591 11.071 21.842 286 HZ3 TRP 111 HZ3 TRP 111 16.800 10.715 17.636 287 HH2 TRP 111 HH2 TRP 111 17.625 12.051 19.554 288 H GLY 112 H GLY 112 17.430 3.350 17.871 289 HA2 GLY 112 HA2 GLY 112 17.374 1.016 17.583 290 HA3 GLY 112 HA3 GLY 112 15.939 0.869 18.588 291 HA PRO 113 HA PRO 113 14.995 1.897 13.919 292 HB2 PRO 113 HB2 PRO 113 15.187 -0.574 12.614 293 HB3 PRO 113 HB3 PRO 113 16.413 0.726 12.597 294 HG2 PRO 113 HG2 PRO 113 16.333 -1.722 14.328 295 HG3 PRO 113 HG3 PRO 113 17.740 -0.936 13.503 296 HD2 PRO 113 HD2 PRO 113 17.255 -0.617 16.142 297 HD3 PRO 113 HD3 PRO 113 17.891 0.723 15.130 298 H GLU 114 H GLU 114 14.195 -1.073 15.768 299 HA GLU 114 HA GLU 114 11.599 -1.439 14.632 300 HB2 GLU 114 HB2 GLU 114 12.789 -2.293 17.297 301 HB3 GLU 114 HB3 GLU 114 11.209 -2.827 16.702 302 HG2 GLU 114 HG2 GLU 114 12.303 -3.806 14.688 303 HG3 GLU 114 HG3 GLU 114 13.880 -3.351 15.336 304 H ALA 115 H ALA 115 12.744 0.373 17.450 305 HA ALA 115 HA ALA 115 10.143 1.215 18.409 306 HB1 ALA 115 HB1 ALA 115 12.909 2.459 18.732 307 HB2 ALA 115 HB2 ALA 115 11.475 2.894 19.672 308 HB3 ALA 115 HB3 ALA 115 12.170 1.264 19.818 309 H VAL 116 H VAL 116 12.604 2.809 16.302 310 HA VAL 116 HA VAL 116 11.029 5.128 15.759 311 HB VAL 116 HB VAL 116 13.271 3.840 14.171 312 HG11 VAL 116 HG11 VAL 116 13.556 6.106 13.156 313 HG12 VAL 116 HG12 VAL 116 12.040 5.332 12.671 314 HG13 VAL 116 HG13 VAL 116 12.028 6.614 13.906 315 HG21 VAL 116 HG21 VAL 116 13.223 6.202 16.110 316 HG22 VAL 116 HG22 VAL 116 13.900 4.627 16.497 317 HG23 VAL 116 HG23 VAL 116 14.626 5.597 15.227 318 H GLU 117 H GLU 117 11.128 1.977 13.954 319 HA GLU 117 HA GLU 117 9.221 2.914 11.979 320 HB2 GLU 117 HB2 GLU 117 10.063 0.144 12.922 321 HB3 GLU 117 HB3 GLU 117 8.785 0.371 11.736 322 HG2 GLU 117 HG2 GLU 117 11.651 1.337 11.407 323 HG3 GLU 117 HG3 GLU 117 10.938 -0.085 10.649 324 H SER 118 H SER 118 8.830 1.715 15.283 325 HA SER 118 HA SER 118 5.953 1.376 15.114 326 HB2 SER 118 HB2 SER 118 7.302 0.358 16.840 327 HB3 SER 118 HB3 SER 118 7.582 1.955 17.574 328 HG SER 118 HG SER 118 5.790 0.799 18.514 329 H TRP 119 H TRP 119 8.082 4.202 15.519 330 HA TRP 119 HA TRP 119 5.946 6.074 16.172 331 HB2 TRP 119 HB2 TRP 119 8.599 6.742 14.868 332 HB3 TRP 119 HB3 TRP 119 7.529 7.813 15.721 333 HD1 TRP 119 HD1 TRP 119 7.425 5.406 18.188 334 HE1 TRP 119 HE1 TRP 119 9.314 5.531 19.905 335 HE3 TRP 119 HE3 TRP 119 10.747 8.368 15.575 336 HZ2 TRP 119 HZ2 TRP 119 11.961 6.602 20.076 337 HZ3 TRP 119 HZ3 TRP 119 12.881 9.028 16.632 338 HH2 TRP 119 HH2 TRP 119 13.530 8.131 18.851 339 H ALA 120 H ALA 120 6.800 4.451 13.241 340 HA ALA 120 HA ALA 120 6.331 6.546 11.383 341 HB1 ALA 120 HB1 ALA 120 7.522 4.357 10.915 342 HB2 ALA 120 HB2 ALA 120 5.927 3.590 10.833 343 HB3 ALA 120 HB3 ALA 120 6.355 4.862 9.678 344 H THR 121 H THR 121 4.589 7.200 10.212 345 HA THR 121 HA THR 121 1.990 5.728 10.281 346 HB THR 121 HB THR 121 0.949 8.124 10.185 347 HG1 THR 121 HG1 THR 121 3.300 8.638 11.706 348 HG21 THR 121 HG21 THR 121 1.954 7.043 12.841 349 HG22 THR 121 HG22 THR 121 0.629 8.203 12.599 350 HG23 THR 121 HG23 THR 121 0.471 6.546 11.992 351 H LEU 122 H LEU 122 1.456 5.180 8.393 352 HA LEU 122 HA LEU 122 2.582 6.318 5.960 353 HB2 LEU 122 HB2 LEU 122 0.510 4.225 6.678 354 HB3 LEU 122 HB3 LEU 122 0.789 4.681 4.994 355 HG LEU 122 HG LEU 122 3.039 3.711 6.817 356 HD11 LEU 122 HD11 LEU 122 1.312 1.941 6.639 357 HD12 LEU 122 HD12 LEU 122 1.335 2.090 4.867 358 HD13 LEU 122 HD13 LEU 122 2.772 1.505 5.734 359 HD21 LEU 122 HD21 LEU 122 3.741 4.930 4.744 360 HD22 LEU 122 HD22 LEU 122 4.150 3.212 4.651 361 HD23 LEU 122 HD23 LEU 122 2.746 3.831 3.769 362 H LEU 123 H LEU 123 1.929 8.159 5.081 363 HA LEU 123 HA LEU 123 -0.665 9.377 5.734 364 HB2 LEU 123 HB2 LEU 123 1.505 10.263 3.784 365 HB3 LEU 123 HB3 LEU 123 0.167 11.239 4.370 366 HG LEU 123 HG LEU 123 2.588 10.293 5.959 367 HD11 LEU 123 HD11 LEU 123 2.863 12.288 4.540 368 HD12 LEU 123 HD12 LEU 123 1.462 13.049 5.325 369 HD13 LEU 123 HD13 LEU 123 2.926 12.700 6.256 370 HD21 LEU 123 HD21 LEU 123 0.699 10.102 7.500 371 HD22 LEU 123 HD22 LEU 123 1.569 11.587 7.871 372 HD23 LEU 123 HD23 LEU 123 0.050 11.670 6.965 373 H GLY 124 H GLY 124 -1.906 10.386 3.801 374 HA2 GLY 124 HA2 GLY 124 -2.945 8.235 2.164 375 HA3 GLY 124 HA3 GLY 124 -3.494 9.906 2.202 376 H HIS 125 H HIS 125 -0.151 9.779 1.513 377 HA HIS 125 HA HIS 125 -0.352 9.551 -1.396 378 HB2 HIS 125 HB2 HIS 125 0.506 11.814 -1.817 379 HB3 HIS 125 HB3 HIS 125 -1.098 11.836 -1.105 380 HD1 HIS 125 HD1 HIS 125 2.033 11.517 1.094 381 HD2 HIS 125 HD2 HIS 125 -0.881 14.305 -0.139 382 HE1 HIS 125 HE1 HIS 125 2.406 13.675 2.533 383 HE2 HIS 125 HE2 HIS 125 0.588 15.338 1.783 Start of MODEL 14 1 H ALA 79 H1 ALA 79 2.477 0.633 -0.702 2 HA ALA 79 HA ALA 79 4.328 1.696 0.281 3 HB1 ALA 79 HB1 ALA 79 6.071 -0.364 -1.146 4 HB2 ALA 79 HB2 ALA 79 6.644 0.993 -0.156 5 HB3 ALA 79 HB3 ALA 79 5.718 -0.308 0.591 6 H ARG 80 H ARG 80 2.859 2.912 -1.312 7 HA ARG 80 HA ARG 80 4.654 4.323 -3.260 8 HB2 ARG 80 HB2 ARG 80 1.786 3.536 -3.830 9 HB3 ARG 80 HB3 ARG 80 2.798 4.677 -4.750 10 HG2 ARG 80 HG2 ARG 80 4.472 2.888 -5.123 11 HG3 ARG 80 HG3 ARG 80 3.356 1.720 -4.385 12 HD2 ARG 80 HD2 ARG 80 1.638 2.274 -6.078 13 HD3 ARG 80 HD3 ARG 80 2.743 3.407 -6.854 14 HE ARG 80 HE ARG 80 2.797 0.463 -6.954 15 HH11 ARG 80 HH11 ARG 80 4.680 3.334 -7.703 16 HH12 ARG 80 HH12 ARG 80 5.701 2.474 -8.821 17 HH21 ARG 80 HH21 ARG 80 4.140 -0.563 -8.375 18 HH22 ARG 80 HH22 ARG 80 5.400 0.316 -9.186 19 H LYS 81 H LYS 81 4.219 4.814 -0.552 20 HA LYS 81 HA LYS 81 2.604 7.329 -0.378 21 HB2 LYS 81 HB2 LYS 81 2.263 4.711 1.149 22 HB3 LYS 81 HB3 LYS 81 1.872 6.255 1.941 23 HG2 LYS 81 HG2 LYS 81 0.289 6.810 0.123 24 HG3 LYS 81 HG3 LYS 81 0.653 5.269 -0.669 25 HD2 LYS 81 HD2 LYS 81 -0.190 4.031 1.296 26 HD3 LYS 81 HD3 LYS 81 -0.528 5.569 2.128 27 HE2 LYS 81 HE2 LYS 81 -2.099 6.212 0.327 28 HE3 LYS 81 HE3 LYS 81 -1.762 4.701 -0.525 29 HZ1 LYS 81 HZ1 LYS 81 -3.802 4.539 0.795 30 HZ2 LYS 81 HZ2 LYS 81 -2.701 3.490 1.382 31 HZ3 LYS 81 HZ3 LYS 81 -3.014 4.891 2.176 32 H VAL 82 H VAL 82 3.002 8.588 1.405 33 HA VAL 82 HA VAL 82 5.831 8.747 2.270 34 HB VAL 82 HB VAL 82 3.382 10.490 2.771 35 HG11 VAL 82 HG11 VAL 82 6.266 10.986 3.637 36 HG12 VAL 82 HG12 VAL 82 5.002 12.227 3.587 37 HG13 VAL 82 HG13 VAL 82 4.825 10.868 4.688 38 HG21 VAL 82 HG21 VAL 82 4.277 10.525 0.440 39 HG22 VAL 82 HG22 VAL 82 4.496 12.072 1.263 40 HG23 VAL 82 HG23 VAL 82 5.875 10.970 1.077 41 H LYS 83 H LYS 83 6.579 8.367 4.302 42 HA LYS 83 HA LYS 83 4.670 7.562 6.478 43 HB2 LYS 83 HB2 LYS 83 7.541 6.713 5.915 44 HB3 LYS 83 HB3 LYS 83 6.814 6.602 7.532 45 HG2 LYS 83 HG2 LYS 83 5.027 5.174 6.705 46 HG3 LYS 83 HG3 LYS 83 5.696 5.236 5.059 47 HD2 LYS 83 HD2 LYS 83 7.699 4.076 5.727 48 HD3 LYS 83 HD3 LYS 83 7.316 4.242 7.449 49 HE2 LYS 83 HE2 LYS 83 5.354 2.796 7.219 50 HE3 LYS 83 HE3 LYS 83 5.612 2.664 5.472 51 HZ1 LYS 83 HZ1 LYS 83 7.746 1.539 5.936 52 HZ2 LYS 83 HZ2 LYS 83 7.499 1.646 7.554 53 HZ3 LYS 83 HZ3 LYS 83 6.523 0.722 6.635 54 H GLN 84 H GLN 84 4.396 9.030 7.922 55 HA GLN 84 HA GLN 84 6.352 11.205 8.461 56 HB2 GLN 84 HB2 GLN 84 3.913 11.695 8.228 57 HB3 GLN 84 HB3 GLN 84 3.575 10.625 9.581 58 HG2 GLN 84 HG2 GLN 84 4.900 12.122 11.071 59 HG3 GLN 84 HG3 GLN 84 5.261 13.170 9.697 60 HE21 GLN 84 HE22 GLN 84 3.451 14.514 8.775 61 HE22 GLN 84 HE21 GLN 84 2.013 14.715 9.764 62 H TYR 85 H TYR 85 7.331 11.366 10.482 63 HA TYR 85 HA TYR 85 7.014 9.146 12.459 64 HB2 TYR 85 HB2 TYR 85 9.653 10.255 11.417 65 HB3 TYR 85 HB3 TYR 85 9.490 9.217 12.810 66 HD1 TYR 85 HD2 TYR 85 9.058 9.304 9.083 67 HD2 TYR 85 HD1 TYR 85 9.528 6.880 12.617 68 HE1 TYR 85 HE2 TYR 85 9.467 7.314 7.664 69 HE2 TYR 85 HE1 TYR 85 9.988 4.899 11.197 70 HH TYR 85 HH TYR 85 9.996 5.052 7.611 71 H LYS 86 H LYS 86 7.414 9.815 14.595 72 HA LYS 86 HA LYS 86 8.016 12.694 15.108 73 HB2 LYS 86 HB2 LYS 86 5.576 12.356 15.208 74 HB3 LYS 86 HB3 LYS 86 5.789 11.043 16.387 75 HG2 LYS 86 HG2 LYS 86 6.662 12.613 18.046 76 HG3 LYS 86 HG3 LYS 86 6.612 13.938 16.867 77 HD2 LYS 86 HD2 LYS 86 4.143 13.710 16.710 78 HD3 LYS 86 HD3 LYS 86 4.196 12.386 17.892 79 HE2 LYS 86 HE2 LYS 86 5.200 13.929 19.572 80 HE3 LYS 86 HE3 LYS 86 5.155 15.245 18.393 81 HZ1 LYS 86 HZ1 LYS 86 2.713 15.054 18.359 82 HZ2 LYS 86 HZ2 LYS 86 2.751 13.833 19.449 83 HZ3 LYS 86 HZ3 LYS 86 3.226 15.331 19.881 84 H ASN 87 H ASN 87 9.241 13.071 16.916 85 HA ASN 87 HA ASN 87 10.331 10.655 18.345 86 HB2 ASN 87 HB2 ASN 87 11.849 11.647 16.698 87 HB3 ASN 87 HB3 ASN 87 11.815 13.179 17.574 88 HD21 ASN 87 HD22 ASN 87 14.236 12.108 17.202 89 HD22 ASN 87 HD21 ASN 87 14.821 11.324 18.665 90 HA PRO 88 HA PRO 88 8.185 12.926 21.744 91 HB2 PRO 88 HB2 PRO 88 9.092 10.295 22.948 92 HB3 PRO 88 HB3 PRO 88 7.597 11.226 23.284 93 HG2 PRO 88 HG2 PRO 88 7.536 9.120 21.582 94 HG3 PRO 88 HG3 PRO 88 6.675 10.639 21.159 95 HD2 PRO 88 HD2 PRO 88 9.316 9.619 20.133 96 HD3 PRO 88 HD3 PRO 88 8.003 10.489 19.275 97 H HIS 89 H HIS 89 11.483 11.630 21.667 98 HA HIS 89 HA HIS 89 12.383 12.645 24.204 99 HB2 HIS 89 HB2 HIS 89 14.029 12.073 21.700 100 HB3 HIS 89 HB3 HIS 89 14.630 12.199 23.352 101 HD1 HIS 89 HD1 HIS 89 13.049 9.739 20.990 102 HD2 HIS 89 HD2 HIS 89 13.742 10.228 25.133 103 HE1 HIS 89 HE1 HIS 89 12.632 7.417 22.100 104 HE2 HIS 89 HE2 HIS 89 13.061 7.741 24.614 105 H THR 90 H THR 90 12.089 14.213 21.062 106 HA THR 90 HA THR 90 13.139 16.783 22.211 107 HB THR 90 HB THR 90 13.975 17.310 19.997 108 HG1 THR 90 HG1 THR 90 13.792 15.906 18.343 109 HG21 THR 90 HG21 THR 90 15.741 15.657 19.742 110 HG22 THR 90 HG22 THR 90 15.447 15.890 21.476 111 HG23 THR 90 HG23 THR 90 14.808 14.448 20.640 112 H GLY 91 H GLY 91 10.455 15.266 20.602 113 HA2 GLY 91 HA2 GLY 91 8.316 16.197 20.295 114 HA3 GLY 91 HA3 GLY 91 8.972 17.828 20.412 115 H GLU 92 H GLU 92 11.059 16.193 18.370 116 HA GLU 92 HA GLU 92 10.288 17.601 16.031 117 HB2 GLU 92 HB2 GLU 92 12.238 15.428 16.742 118 HB3 GLU 92 HB3 GLU 92 11.830 15.584 15.043 119 HG2 GLU 92 HG2 GLU 92 12.505 17.703 14.802 120 HG3 GLU 92 HG3 GLU 92 12.540 18.063 16.550 121 H VAL 93 H VAL 93 9.514 17.053 14.081 122 HA VAL 93 HA VAL 93 8.345 14.375 13.579 123 HB VAL 93 HB VAL 93 7.209 17.069 12.795 124 HG11 VAL 93 HG11 VAL 93 6.019 14.267 12.492 125 HG12 VAL 93 HG12 VAL 93 5.194 15.785 12.083 126 HG13 VAL 93 HG13 VAL 93 6.612 15.287 11.158 127 HG21 VAL 93 HG21 VAL 93 6.230 15.150 14.923 128 HG22 VAL 93 HG22 VAL 93 6.924 16.778 15.155 129 HG23 VAL 93 HG23 VAL 93 5.351 16.594 14.355 130 H ILE 94 H ILE 94 8.691 13.619 11.523 131 HA ILE 94 HA ILE 94 9.787 15.334 9.390 132 HB ILE 94 HB ILE 94 11.511 13.653 8.792 133 HG12 ILE 94 HG12 ILE 94 10.917 12.416 11.507 134 HG13 ILE 94 HG13 ILE 94 10.555 11.701 9.933 135 HG21 ILE 94 HG21 ILE 94 12.036 15.732 10.045 136 HG22 ILE 94 HG22 ILE 94 11.981 14.809 11.564 137 HG23 ILE 94 HG23 ILE 94 13.197 14.433 10.328 138 HD11 ILE 94 HD11 ILE 94 12.933 11.543 9.405 139 HD12 ILE 94 HD12 ILE 94 13.351 12.252 10.994 140 HD13 ILE 94 HD13 ILE 94 12.540 10.693 10.913 141 H GLU 95 H GLU 95 9.762 14.248 7.341 142 HA GLU 95 HA GLU 95 7.905 11.946 7.000 143 HB2 GLU 95 HB2 GLU 95 7.638 14.715 5.767 144 HB3 GLU 95 HB3 GLU 95 6.927 13.278 5.017 145 HG2 GLU 95 HG2 GLU 95 5.560 12.833 6.945 146 HG3 GLU 95 HG3 GLU 95 6.358 14.108 7.879 147 H THR 96 H THR 96 8.449 10.576 5.425 148 HA THR 96 HA THR 96 10.243 11.326 3.198 149 HB THR 96 HB THR 96 11.917 10.764 4.755 150 HG1 THR 96 HG1 THR 96 12.803 8.952 3.778 151 HG21 THR 96 HG21 THR 96 10.716 9.626 6.544 152 HG22 THR 96 HG22 THR 96 10.339 8.256 5.465 153 HG23 THR 96 HG23 THR 96 12.012 8.579 5.959 154 H LYS 97 H LYS 97 10.344 9.670 1.535 155 HA LYS 97 HA LYS 97 7.878 7.978 1.351 156 HB2 LYS 97 HB2 LYS 97 9.991 8.816 -0.687 157 HB3 LYS 97 HB3 LYS 97 8.662 7.698 -1.034 158 HG2 LYS 97 HG2 LYS 97 6.993 9.408 -0.492 159 HG3 LYS 97 HG3 LYS 97 8.262 10.545 -0.022 160 HD2 LYS 97 HD2 LYS 97 7.484 11.143 -2.217 161 HD3 LYS 97 HD3 LYS 97 9.146 10.552 -2.333 162 HE2 LYS 97 HE2 LYS 97 8.318 8.338 -3.121 163 HE3 LYS 97 HE3 LYS 97 6.647 8.904 -2.956 164 HZ1 LYS 97 HZ1 LYS 97 7.441 9.102 -5.257 165 HZ2 LYS 97 HZ2 LYS 97 7.130 10.589 -4.669 166 HZ3 LYS 97 HZ3 LYS 97 8.670 10.073 -4.816 167 H GLY 98 H GLY 98 10.928 7.538 2.580 168 HA2 GLY 98 HA2 GLY 98 11.330 5.337 3.560 169 HA3 GLY 98 HA3 GLY 98 10.855 4.579 2.045 170 H GLY 99 H GLY 99 12.748 7.247 1.235 171 HA2 GLY 99 HA2 GLY 99 15.077 5.657 0.503 172 HA3 GLY 99 HA3 GLY 99 14.863 7.390 0.296 173 H ASN 100 H ASN 100 17.296 6.819 0.915 174 HA ASN 100 HA ASN 100 17.959 6.541 3.702 175 HB2 ASN 100 HB2 ASN 100 19.467 5.891 1.869 176 HB3 ASN 100 HB3 ASN 100 19.577 7.574 1.337 177 HD21 ASN 100 HD22 ASN 100 21.910 7.435 1.631 178 HD22 ASN 100 HD21 ASN 100 22.579 7.533 3.253 179 H HIS 101 H HIS 101 16.564 8.066 4.716 180 HA HIS 101 HA HIS 101 17.199 10.962 4.460 181 HB2 HIS 101 HB2 HIS 101 14.851 10.060 4.371 182 HB3 HIS 101 HB3 HIS 101 14.994 9.586 6.060 183 HD1 HIS 101 HD1 HIS 101 14.812 11.633 7.834 184 HD2 HIS 101 HD2 HIS 101 14.722 12.672 3.750 185 HE1 HIS 101 HE1 HIS 101 14.316 14.170 7.749 186 HE2 HIS 101 HE2 HIS 101 14.188 14.770 5.238 187 H LYS 102 H LYS 102 19.158 11.181 5.442 188 HA LYS 102 HA LYS 102 20.384 9.815 7.427 189 HB2 LYS 102 HB2 LYS 102 21.021 11.895 5.878 190 HB3 LYS 102 HB3 LYS 102 20.803 12.817 7.350 191 HG2 LYS 102 HG2 LYS 102 22.740 10.499 6.892 192 HG3 LYS 102 HG3 LYS 102 23.125 12.215 6.876 193 HD2 LYS 102 HD2 LYS 102 22.363 12.285 9.330 194 HD3 LYS 102 HD3 LYS 102 22.393 10.503 9.273 195 HE2 LYS 102 HE2 LYS 102 24.780 10.615 8.461 196 HE3 LYS 102 HE3 LYS 102 24.710 12.375 8.594 197 HZ1 LYS 102 HZ1 LYS 102 25.708 11.553 10.578 198 HZ2 LYS 102 HZ2 LYS 102 24.197 12.034 11.019 199 HZ3 LYS 102 HZ3 LYS 102 24.545 10.437 10.838 200 H THR 103 H THR 103 18.297 12.625 8.224 201 HA THR 103 HA THR 103 18.630 12.598 11.021 202 HB THR 103 HB THR 103 16.060 13.250 9.515 203 HG1 THR 103 HG1 THR 103 17.004 15.352 9.424 204 HG21 THR 103 HG21 THR 103 15.738 13.301 11.961 205 HG22 THR 103 HG22 THR 103 17.167 14.340 12.142 206 HG23 THR 103 HG23 THR 103 15.718 14.931 11.290 207 H LEU 104 H LEU 104 16.556 10.449 9.080 208 HA LEU 104 HA LEU 104 15.136 9.302 11.396 209 HB2 LEU 104 HB2 LEU 104 14.180 9.376 9.042 210 HB3 LEU 104 HB3 LEU 104 15.470 8.296 8.519 211 HG LEU 104 HG LEU 104 14.602 6.573 10.163 212 HD11 LEU 104 HD11 LEU 104 13.314 8.092 11.675 213 HD12 LEU 104 HD12 LEU 104 12.212 8.461 10.322 214 HD13 LEU 104 HD13 LEU 104 12.305 6.823 10.974 215 HD21 LEU 104 HD21 LEU 104 12.603 7.516 8.077 216 HD22 LEU 104 HD22 LEU 104 14.047 6.524 7.747 217 HD23 LEU 104 HD23 LEU 104 12.743 5.885 8.765 218 H LYS 105 H LYS 105 17.889 8.394 9.231 219 HA LYS 105 HA LYS 105 18.563 5.948 10.446 220 HB2 LYS 105 HB2 LYS 105 19.522 7.165 8.332 221 HB3 LYS 105 HB3 LYS 105 20.675 7.894 9.485 222 HG2 LYS 105 HG2 LYS 105 21.386 5.615 10.180 223 HG3 LYS 105 HG3 LYS 105 20.206 4.907 9.060 224 HD2 LYS 105 HD2 LYS 105 21.392 5.956 7.143 225 HD3 LYS 105 HD3 LYS 105 22.570 6.674 8.268 226 HE2 LYS 105 HE2 LYS 105 23.234 4.398 9.021 227 HE3 LYS 105 HE3 LYS 105 22.046 3.681 7.930 228 HZ1 LYS 105 HZ1 LYS 105 23.287 4.625 6.048 229 HZ2 LYS 105 HZ2 LYS 105 24.392 5.304 7.053 230 HZ3 LYS 105 HZ3 LYS 105 24.269 3.679 6.936 231 H GLU 106 H GLU 106 19.694 9.216 11.325 232 HA GLU 106 HA GLU 106 21.205 8.463 13.571 233 HB2 GLU 106 HB2 GLU 106 19.715 10.982 12.806 234 HB3 GLU 106 HB3 GLU 106 20.330 10.825 14.461 235 HG2 GLU 106 HG2 GLU 106 22.572 10.385 13.667 236 HG3 GLU 106 HG3 GLU 106 22.004 10.397 11.979 237 H TRP 107 H TRP 107 17.686 9.180 13.449 238 HA TRP 107 HA TRP 107 17.245 8.688 16.226 239 HB2 TRP 107 HB2 TRP 107 15.311 8.381 13.902 240 HB3 TRP 107 HB3 TRP 107 14.870 8.370 15.596 241 HD1 TRP 107 HD1 TRP 107 17.350 11.031 15.332 242 HE1 TRP 107 HE1 TRP 107 16.284 13.336 15.089 243 HE3 TRP 107 HE3 TRP 107 12.572 9.598 14.115 244 HZ2 TRP 107 HZ2 TRP 107 13.742 14.434 14.404 245 HZ3 TRP 107 HZ3 TRP 107 10.830 11.325 13.716 246 HH2 TRP 107 HH2 TRP 107 11.407 13.756 13.850 247 H LYS 108 H LYS 108 17.221 6.408 13.473 248 HA LYS 108 HA LYS 108 16.374 4.065 14.971 249 HB2 LYS 108 HB2 LYS 108 18.073 4.274 12.441 250 HB3 LYS 108 HB3 LYS 108 17.360 2.772 13.080 251 HG2 LYS 108 HG2 LYS 108 15.084 3.755 12.815 252 HG3 LYS 108 HG3 LYS 108 15.779 5.208 12.155 253 HD2 LYS 108 HD2 LYS 108 15.528 4.289 10.122 254 HD3 LYS 108 HD3 LYS 108 16.927 3.271 10.508 255 HE2 LYS 108 HE2 LYS 108 15.327 1.618 11.555 256 HE3 LYS 108 HE3 LYS 108 13.979 2.635 11.034 257 HZ1 LYS 108 HZ1 LYS 108 14.319 0.842 9.480 258 HZ2 LYS 108 HZ2 LYS 108 14.684 2.239 8.706 259 HZ3 LYS 108 HZ3 LYS 108 15.892 1.247 9.208 260 H ALA 109 H ALA 109 19.569 5.462 14.339 261 HA ALA 109 HA ALA 109 21.060 3.401 15.718 262 HB1 ALA 109 HB1 ALA 109 22.030 4.901 14.017 263 HB2 ALA 109 HB2 ALA 109 21.765 6.301 15.078 264 HB3 ALA 109 HB3 ALA 109 22.908 5.027 15.556 265 H LYS 110 H LYS 110 19.696 6.518 16.759 266 HA LYS 110 HA LYS 110 20.887 6.438 19.418 267 HB2 LYS 110 HB2 LYS 110 18.822 8.223 18.083 268 HB3 LYS 110 HB3 LYS 110 19.361 8.468 19.750 269 HG2 LYS 110 HG2 LYS 110 21.641 8.850 19.074 270 HG3 LYS 110 HG3 LYS 110 21.308 8.372 17.404 271 HD2 LYS 110 HD2 LYS 110 19.681 10.289 17.226 272 HD3 LYS 110 HD3 LYS 110 20.201 10.837 18.820 273 HE2 LYS 110 HE2 LYS 110 21.992 10.525 16.345 274 HE3 LYS 110 HE3 LYS 110 21.282 12.035 16.911 275 HZ1 LYS 110 HZ1 LYS 110 22.545 11.793 19.000 276 HZ2 LYS 110 HZ2 LYS 110 23.270 10.430 18.448 277 HZ3 LYS 110 HZ3 LYS 110 23.548 11.866 17.718 278 H TRP 111 H TRP 111 17.654 5.610 18.248 279 HA TRP 111 HA TRP 111 16.891 4.786 21.029 280 HB2 TRP 111 HB2 TRP 111 15.239 6.196 18.900 281 HB3 TRP 111 HB3 TRP 111 14.592 5.562 20.400 282 HD1 TRP 111 HD1 TRP 111 15.832 6.514 22.714 283 HE1 TRP 111 HE1 TRP 111 16.607 8.888 23.302 284 HE3 TRP 111 HE3 TRP 111 15.987 8.491 18.013 285 HZ2 TRP 111 HZ2 TRP 111 17.339 11.299 21.894 286 HZ3 TRP 111 HZ3 TRP 111 16.847 10.806 17.650 287 HH2 TRP 111 HH2 TRP 111 17.501 12.218 19.580 288 H GLY 112 H GLY 112 17.417 3.429 18.021 289 HA2 GLY 112 HA2 GLY 112 17.350 1.078 17.840 290 HA3 GLY 112 HA3 GLY 112 15.885 0.988 18.799 291 HA PRO 113 HA PRO 113 15.094 1.869 14.073 292 HB2 PRO 113 HB2 PRO 113 15.380 -0.651 12.841 293 HB3 PRO 113 HB3 PRO 113 16.582 0.671 12.815 294 HG2 PRO 113 HG2 PRO 113 16.491 -1.719 14.621 295 HG3 PRO 113 HG3 PRO 113 17.910 -0.919 13.823 296 HD2 PRO 113 HD2 PRO 113 17.325 -0.551 16.428 297 HD3 PRO 113 HD3 PRO 113 17.970 0.771 15.406 298 H GLU 114 H GLU 114 14.265 -1.087 15.942 299 HA GLU 114 HA GLU 114 11.715 -1.481 14.710 300 HB2 GLU 114 HB2 GLU 114 12.823 -2.316 17.418 301 HB3 GLU 114 HB3 GLU 114 11.260 -2.856 16.778 302 HG2 GLU 114 HG2 GLU 114 12.419 -3.844 14.802 303 HG3 GLU 114 HG3 GLU 114 13.977 -3.378 15.496 304 H ALA 115 H ALA 115 12.737 0.351 17.565 305 HA ALA 115 HA ALA 115 10.104 1.193 18.428 306 HB1 ALA 115 HB1 ALA 115 12.096 1.285 19.885 307 HB2 ALA 115 HB2 ALA 115 12.846 2.481 18.804 308 HB3 ALA 115 HB3 ALA 115 11.376 2.902 19.700 309 H VAL 116 H VAL 116 12.616 2.806 16.408 310 HA VAL 116 HA VAL 116 11.039 5.092 15.762 311 HB VAL 116 HB VAL 116 13.365 3.807 14.312 312 HG11 VAL 116 HG11 VAL 116 13.691 6.049 13.262 313 HG12 VAL 116 HG12 VAL 116 12.182 5.281 12.732 314 HG13 VAL 116 HG13 VAL 116 12.137 6.576 13.946 315 HG21 VAL 116 HG21 VAL 116 13.227 6.205 16.197 316 HG22 VAL 116 HG22 VAL 116 13.866 4.627 16.648 317 HG23 VAL 116 HG23 VAL 116 14.668 5.567 15.396 318 H GLU 117 H GLU 117 11.303 1.944 13.972 319 HA GLU 117 HA GLU 117 9.500 2.816 11.876 320 HB2 GLU 117 HB2 GLU 117 10.419 0.085 12.846 321 HB3 GLU 117 HB3 GLU 117 9.226 0.286 11.551 322 HG2 GLU 117 HG2 GLU 117 10.771 1.618 10.223 323 HG3 GLU 117 HG3 GLU 117 11.976 1.591 11.505 324 H SER 118 H SER 118 8.955 1.684 15.156 325 HA SER 118 HA SER 118 6.061 1.306 14.806 326 HB2 SER 118 HB2 SER 118 7.565 1.728 17.394 327 HB3 SER 118 HB3 SER 118 5.903 1.170 17.153 328 HG SER 118 HG SER 118 8.298 -0.168 16.360 329 H TRP 119 H TRP 119 8.157 4.112 15.336 330 HA TRP 119 HA TRP 119 5.994 5.914 16.113 331 HB2 TRP 119 HB2 TRP 119 8.615 6.649 14.772 332 HB3 TRP 119 HB3 TRP 119 7.528 7.704 15.634 333 HD1 TRP 119 HD1 TRP 119 7.460 5.285 18.087 334 HE1 TRP 119 HE1 TRP 119 9.326 5.471 19.834 335 HE3 TRP 119 HE3 TRP 119 10.728 8.344 15.515 336 HZ2 TRP 119 HZ2 TRP 119 11.925 6.631 20.038 337 HZ3 TRP 119 HZ3 TRP 119 12.828 9.071 16.607 338 HH2 TRP 119 HH2 TRP 119 13.465 8.208 18.833 339 H ALA 120 H ALA 120 6.841 4.444 13.096 340 HA ALA 120 HA ALA 120 6.280 6.558 11.321 341 HB1 ALA 120 HB1 ALA 120 5.892 3.605 10.735 342 HB2 ALA 120 HB2 ALA 120 6.215 4.905 9.577 343 HB3 ALA 120 HB3 ALA 120 7.465 4.422 10.741 344 H THR 121 H THR 121 4.503 7.293 10.266 345 HA THR 121 HA THR 121 1.921 5.785 10.273 346 HB THR 121 HB THR 121 0.901 8.209 10.249 347 HG1 THR 121 HG1 THR 121 1.973 9.581 11.727 348 HG21 THR 121 HG21 THR 121 0.442 8.075 12.635 349 HG22 THR 121 HG22 THR 121 0.353 6.472 11.901 350 HG23 THR 121 HG23 THR 121 1.787 6.927 12.859 351 H LEU 122 H LEU 122 1.336 5.315 8.384 352 HA LEU 122 HA LEU 122 2.333 6.502 5.942 353 HB2 LEU 122 HB2 LEU 122 0.032 4.658 6.684 354 HB3 LEU 122 HB3 LEU 122 0.339 5.127 5.011 355 HG LEU 122 HG LEU 122 2.440 3.768 6.753 356 HD11 LEU 122 HD11 LEU 122 1.845 1.678 5.557 357 HD12 LEU 122 HD12 LEU 122 0.491 2.272 6.534 358 HD13 LEU 122 HD13 LEU 122 0.483 2.512 4.772 359 HD21 LEU 122 HD21 LEU 122 3.284 4.969 4.715 360 HD22 LEU 122 HD22 LEU 122 3.461 3.213 4.566 361 HD23 LEU 122 HD23 LEU 122 2.145 4.046 3.718 362 H LEU 123 H LEU 123 1.602 8.226 4.823 363 HA LEU 123 HA LEU 123 -0.803 9.686 5.825 364 HB2 LEU 123 HB2 LEU 123 1.328 10.569 3.843 365 HB3 LEU 123 HB3 LEU 123 0.059 11.565 4.536 366 HG LEU 123 HG LEU 123 2.493 10.427 5.973 367 HD11 LEU 123 HD11 LEU 123 2.752 12.492 4.600 368 HD12 LEU 123 HD12 LEU 123 1.473 13.268 5.550 369 HD13 LEU 123 HD13 LEU 123 2.990 12.785 6.333 370 HD21 LEU 123 HD21 LEU 123 1.612 11.675 7.987 371 HD22 LEU 123 HD22 LEU 123 0.063 11.876 7.145 372 HD23 LEU 123 HD23 LEU 123 0.654 10.254 7.574 373 H GLY 124 H GLY 124 -2.179 10.775 4.153 374 HA2 GLY 124 HA2 GLY 124 -2.388 9.882 1.453 375 HA3 GLY 124 HA3 GLY 124 -3.496 8.936 2.446 376 H HIS 125 H HIS 125 -4.776 10.213 0.637 377 HA HIS 125 HA HIS 125 -6.254 12.376 1.979 378 HB2 HIS 125 HB2 HIS 125 -4.534 13.515 0.812 379 HB3 HIS 125 HB3 HIS 125 -4.994 12.775 -0.731 380 HD1 HIS 125 HD1 HIS 125 -8.247 13.487 0.329 381 HD2 HIS 125 HD2 HIS 125 -4.896 15.896 -0.545 382 HE1 HIS 125 HE1 HIS 125 -9.170 15.849 -0.241 383 HE2 HIS 125 HE2 HIS 125 -7.108 17.307 -0.770 Start of MODEL 15 1 H ALA 79 H1 ALA 79 2.936 0.816 1.005 2 HA ALA 79 HA ALA 79 3.169 0.603 -1.937 3 HB1 ALA 79 HB1 ALA 79 1.249 2.139 -2.063 4 HB2 ALA 79 HB2 ALA 79 0.800 0.701 -1.149 5 HB3 ALA 79 HB3 ALA 79 1.156 2.217 -0.288 6 H ARG 80 H ARG 80 3.177 3.023 -2.836 7 HA ARG 80 HA ARG 80 5.741 4.121 -1.976 8 HB2 ARG 80 HB2 ARG 80 3.854 5.011 -4.162 9 HB3 ARG 80 HB3 ARG 80 5.505 5.592 -3.863 10 HG2 ARG 80 HG2 ARG 80 6.357 3.270 -4.055 11 HG3 ARG 80 HG3 ARG 80 4.753 2.712 -4.543 12 HD2 ARG 80 HD2 ARG 80 6.412 4.811 -6.010 13 HD3 ARG 80 HD3 ARG 80 6.302 3.100 -6.457 14 HE ARG 80 HE ARG 80 3.654 4.040 -6.369 15 HH11 ARG 80 HH21 ARG 80 6.488 4.673 -8.335 16 HH12 ARG 80 HH22 ARG 80 5.537 5.124 -9.722 17 HH21 ARG 80 HH11 ARG 80 2.499 4.657 -8.173 18 HH22 ARG 80 HH12 ARG 80 3.336 5.114 -9.625 19 H LYS 81 H LYS 81 2.748 4.760 -0.704 20 HA LYS 81 HA LYS 81 2.605 7.527 -0.255 21 HB2 LYS 81 HB2 LYS 81 1.717 5.091 1.317 22 HB3 LYS 81 HB3 LYS 81 1.655 6.675 2.076 23 HG2 LYS 81 HG2 LYS 81 -0.498 6.103 1.147 24 HG3 LYS 81 HG3 LYS 81 0.164 7.562 0.425 25 HD2 LYS 81 HD2 LYS 81 0.761 6.322 -1.628 26 HD3 LYS 81 HD3 LYS 81 0.140 4.816 -0.900 27 HE2 LYS 81 HE2 LYS 81 -2.107 5.862 -0.670 28 HE3 LYS 81 HE3 LYS 81 -1.493 7.358 -1.375 29 HZ1 LYS 81 HZ1 LYS 81 -1.643 4.732 -2.788 30 HZ2 LYS 81 HZ2 LYS 81 -2.631 6.000 -3.042 31 HZ3 LYS 81 HZ3 LYS 81 -1.056 6.111 -3.450 32 H VAL 82 H VAL 82 3.113 8.851 1.405 33 HA VAL 82 HA VAL 82 5.858 8.763 2.376 34 HB VAL 82 HB VAL 82 3.499 10.602 2.933 35 HG11 VAL 82 HG11 VAL 82 4.968 10.868 4.846 36 HG12 VAL 82 HG12 VAL 82 6.404 10.957 3.785 37 HG13 VAL 82 HG13 VAL 82 5.183 12.243 3.773 38 HG21 VAL 82 HG21 VAL 82 6.025 11.001 1.253 39 HG22 VAL 82 HG22 VAL 82 4.414 10.645 0.594 40 HG23 VAL 82 HG23 VAL 82 4.700 12.168 1.447 41 H LYS 83 H LYS 83 6.652 8.229 4.317 42 HA LYS 83 HA LYS 83 4.801 7.464 6.549 43 HB2 LYS 83 HB2 LYS 83 7.659 6.643 5.914 44 HB3 LYS 83 HB3 LYS 83 6.973 6.522 7.548 45 HG2 LYS 83 HG2 LYS 83 5.144 5.105 6.720 46 HG3 LYS 83 HG3 LYS 83 5.821 5.162 5.080 47 HD2 LYS 83 HD2 LYS 83 7.807 3.983 5.772 48 HD3 LYS 83 HD3 LYS 83 7.403 4.158 7.492 49 HE2 LYS 83 HE2 LYS 83 5.432 2.732 7.239 50 HE3 LYS 83 HE3 LYS 83 5.712 2.594 5.494 51 HZ1 LYS 83 HZ1 LYS 83 7.582 1.573 7.585 52 HZ2 LYS 83 HZ2 LYS 83 6.578 0.646 6.692 53 HZ3 LYS 83 HZ3 LYS 83 7.806 1.435 5.967 54 H GLN 84 H GLN 84 4.474 8.987 7.898 55 HA GLN 84 HA GLN 84 6.385 11.192 8.468 56 HB2 GLN 84 HB2 GLN 84 4.053 11.773 8.253 57 HB3 GLN 84 HB3 GLN 84 3.556 10.450 9.290 58 HG2 GLN 84 HG2 GLN 84 4.671 11.599 11.237 59 HG3 GLN 84 HG3 GLN 84 5.057 12.954 10.160 60 HE21 GLN 84 HE22 GLN 84 2.226 10.899 11.175 61 HE22 GLN 84 HE21 GLN 84 1.111 12.266 11.257 62 H TYR 85 H TYR 85 7.435 11.328 10.440 63 HA TYR 85 HA TYR 85 7.108 9.135 12.448 64 HB2 TYR 85 HB2 TYR 85 9.748 10.201 11.368 65 HB3 TYR 85 HB3 TYR 85 9.588 9.180 12.773 66 HD1 TYR 85 HD2 TYR 85 9.177 9.273 9.058 67 HD2 TYR 85 HD1 TYR 85 9.505 6.823 12.594 68 HE1 TYR 85 HE2 TYR 85 9.570 7.269 7.638 69 HE2 TYR 85 HE1 TYR 85 9.941 4.833 11.181 70 HH TYR 85 HH TYR 85 10.050 4.990 7.598 71 H LYS 86 H LYS 86 7.513 9.809 14.578 72 HA LYS 86 HA LYS 86 8.149 12.683 15.086 73 HB2 LYS 86 HB2 LYS 86 5.693 12.354 15.200 74 HB3 LYS 86 HB3 LYS 86 5.915 11.044 16.376 75 HG2 LYS 86 HG2 LYS 86 6.826 12.601 18.024 76 HG3 LYS 86 HG3 LYS 86 6.791 13.924 16.850 77 HD2 LYS 86 HD2 LYS 86 4.314 13.738 16.716 78 HD3 LYS 86 HD3 LYS 86 4.352 12.419 17.906 79 HE2 LYS 86 HE2 LYS 86 5.401 13.945 19.566 80 HE3 LYS 86 HE3 LYS 86 5.369 15.267 18.386 81 HZ1 LYS 86 HZ1 LYS 86 3.456 15.378 19.900 82 HZ2 LYS 86 HZ2 LYS 86 2.921 15.114 18.384 83 HZ3 LYS 86 HZ3 LYS 86 2.952 13.891 19.469 84 H ASN 87 H ASN 87 9.501 13.022 16.751 85 HA ASN 87 HA ASN 87 10.456 10.633 18.306 86 HB2 ASN 87 HB2 ASN 87 12.066 11.592 16.710 87 HB3 ASN 87 HB3 ASN 87 12.049 13.109 17.604 88 HD21 ASN 87 HD22 ASN 87 14.440 11.808 17.306 89 HD22 ASN 87 HD21 ASN 87 14.907 11.063 18.829 90 HA PRO 88 HA PRO 88 8.271 13.314 21.338 91 HB2 PRO 88 HB2 PRO 88 7.826 11.375 23.274 92 HB3 PRO 88 HB3 PRO 88 6.790 11.666 21.843 93 HG2 PRO 88 HG2 PRO 88 9.002 9.618 22.153 94 HG3 PRO 88 HG3 PRO 88 7.341 9.370 21.522 95 HD2 PRO 88 HD2 PRO 88 9.417 9.702 19.853 96 HD3 PRO 88 HD3 PRO 88 7.855 10.499 19.492 97 H HIS 89 H HIS 89 11.274 11.599 21.662 98 HA HIS 89 HA HIS 89 12.069 12.591 24.263 99 HB2 HIS 89 HB2 HIS 89 13.869 11.770 21.941 100 HB3 HIS 89 HB3 HIS 89 14.274 11.819 23.654 101 HD1 HIS 89 HD1 HIS 89 12.724 9.565 21.080 102 HD2 HIS 89 HD2 HIS 89 12.972 9.955 25.280 103 HE1 HIS 89 HE1 HIS 89 11.892 7.311 22.097 104 HE2 HIS 89 HE2 HIS 89 12.083 7.567 24.647 105 H THR 90 H THR 90 12.077 14.040 21.061 106 HA THR 90 HA THR 90 13.444 16.494 22.121 107 HB THR 90 HB THR 90 14.297 16.855 19.888 108 HG1 THR 90 HG1 THR 90 13.881 15.395 18.266 109 HG21 THR 90 HG21 THR 90 15.600 15.289 21.384 110 HG22 THR 90 HG22 THR 90 14.778 13.923 20.588 111 HG23 THR 90 HG23 THR 90 15.843 14.996 19.651 112 H GLY 91 H GLY 91 10.632 15.276 20.449 113 HA2 GLY 91 HA2 GLY 91 8.567 16.438 20.278 114 HA3 GLY 91 HA3 GLY 91 9.406 17.988 20.338 115 H GLU 92 H GLU 92 11.266 16.206 18.247 116 HA GLU 92 HA GLU 92 10.415 17.643 15.938 117 HB2 GLU 92 HB2 GLU 92 12.447 15.526 16.583 118 HB3 GLU 92 HB3 GLU 92 11.957 15.665 14.895 119 HG2 GLU 92 HG2 GLU 92 12.489 17.849 14.670 120 HG3 GLU 92 HG3 GLU 92 12.729 18.118 16.427 121 H VAL 93 H VAL 93 9.571 17.072 14.016 122 HA VAL 93 HA VAL 93 8.423 14.373 13.560 123 HB VAL 93 HB VAL 93 7.239 17.041 12.776 124 HG11 VAL 93 HG11 VAL 93 5.210 15.705 12.189 125 HG12 VAL 93 HG12 VAL 93 6.594 15.220 11.212 126 HG13 VAL 93 HG13 VAL 93 6.083 14.213 12.589 127 HG21 VAL 93 HG21 VAL 93 6.334 15.186 14.983 128 HG22 VAL 93 HG22 VAL 93 7.017 16.826 15.154 129 HG23 VAL 93 HG23 VAL 93 5.428 16.606 14.398 130 H ILE 94 H ILE 94 8.733 13.612 11.501 131 HA ILE 94 HA ILE 94 9.804 15.335 9.354 132 HB ILE 94 HB ILE 94 11.531 13.668 8.753 133 HG12 ILE 94 HG12 ILE 94 10.926 12.396 11.441 134 HG13 ILE 94 HG13 ILE 94 10.582 11.701 9.862 135 HG21 ILE 94 HG21 ILE 94 13.209 14.435 10.290 136 HG22 ILE 94 HG22 ILE 94 12.046 15.737 10.039 137 HG23 ILE 94 HG23 ILE 94 11.999 14.790 11.539 138 HD11 ILE 94 HD11 ILE 94 13.359 12.234 10.985 139 HD12 ILE 94 HD12 ILE 94 12.562 10.673 10.793 140 HD13 ILE 94 HD13 ILE 94 12.992 11.612 9.348 141 H GLU 95 H GLU 95 9.813 14.221 7.312 142 HA GLU 95 HA GLU 95 7.883 11.975 6.941 143 HB2 GLU 95 HB2 GLU 95 7.763 14.761 5.702 144 HB3 GLU 95 HB3 GLU 95 6.997 13.362 4.951 145 HG2 GLU 95 HG2 GLU 95 5.502 13.053 6.811 146 HG3 GLU 95 HG3 GLU 95 6.360 14.251 7.784 147 H THR 96 H THR 96 8.466 10.571 5.410 148 HA THR 96 HA THR 96 10.219 11.326 3.156 149 HB THR 96 HB THR 96 11.922 10.794 4.712 150 HG1 THR 96 HG1 THR 96 12.831 9.017 3.728 151 HG21 THR 96 HG21 THR 96 12.043 8.641 5.944 152 HG22 THR 96 HG22 THR 96 10.709 9.660 6.505 153 HG23 THR 96 HG23 THR 96 10.377 8.271 5.440 154 H LYS 97 H LYS 97 10.283 9.688 1.476 155 HA LYS 97 HA LYS 97 7.873 7.923 1.380 156 HB2 LYS 97 HB2 LYS 97 9.956 8.675 -0.711 157 HB3 LYS 97 HB3 LYS 97 8.608 7.562 -0.990 158 HG2 LYS 97 HG2 LYS 97 6.993 9.348 -0.352 159 HG3 LYS 97 HG3 LYS 97 8.325 10.495 -0.196 160 HD2 LYS 97 HD2 LYS 97 7.560 9.015 -2.756 161 HD3 LYS 97 HD3 LYS 97 7.104 10.676 -2.352 162 HE2 LYS 97 HE2 LYS 97 9.527 11.301 -2.232 163 HE3 LYS 97 HE3 LYS 97 9.962 9.655 -2.711 164 HZ1 LYS 97 HZ1 LYS 97 8.363 11.541 -4.370 165 HZ2 LYS 97 HZ2 LYS 97 9.926 11.148 -4.623 166 HZ3 LYS 97 HZ3 LYS 97 8.765 10.017 -4.811 167 H GLY 98 H GLY 98 10.939 7.583 2.597 168 HA2 GLY 98 HA2 GLY 98 11.395 5.420 3.640 169 HA3 GLY 98 HA3 GLY 98 10.964 4.611 2.141 170 H GLY 99 H GLY 99 12.765 7.351 1.314 171 HA2 GLY 99 HA2 GLY 99 15.113 5.833 0.550 172 HA3 GLY 99 HA3 GLY 99 14.861 7.562 0.361 173 H ASN 100 H ASN 100 17.303 7.037 0.912 174 HA ASN 100 HA ASN 100 18.065 6.754 3.673 175 HB2 ASN 100 HB2 ASN 100 19.512 6.146 1.778 176 HB3 ASN 100 HB3 ASN 100 19.579 7.832 1.263 177 HD21 ASN 100 HD22 ASN 100 21.942 7.656 1.467 178 HD22 ASN 100 HD21 ASN 100 22.661 7.767 3.067 179 H HIS 101 H HIS 101 16.679 8.244 4.741 180 HA HIS 101 HA HIS 101 17.272 11.161 4.491 181 HB2 HIS 101 HB2 HIS 101 14.926 10.245 4.316 182 HB3 HIS 101 HB3 HIS 101 15.026 9.743 6.004 183 HD1 HIS 101 HD1 HIS 101 14.959 11.791 7.813 184 HD2 HIS 101 HD2 HIS 101 14.645 12.838 3.747 185 HE1 HIS 101 HE1 HIS 101 14.423 14.319 7.768 186 HE2 HIS 101 HE2 HIS 101 14.159 14.929 5.266 187 H LYS 102 H LYS 102 19.210 11.383 5.582 188 HA LYS 102 HA LYS 102 20.302 9.981 7.619 189 HB2 LYS 102 HB2 LYS 102 21.430 11.718 6.295 190 HB3 LYS 102 HB3 LYS 102 20.557 12.984 7.150 191 HG2 LYS 102 HG2 LYS 102 22.833 12.853 7.932 192 HG3 LYS 102 HG3 LYS 102 21.744 12.428 9.247 193 HD2 LYS 102 HD2 LYS 102 22.232 10.025 8.908 194 HD3 LYS 102 HD3 LYS 102 23.277 10.404 7.534 195 HE2 LYS 102 HE2 LYS 102 23.730 11.392 10.395 196 HE3 LYS 102 HE3 LYS 102 24.449 9.922 9.735 197 HZ1 LYS 102 HZ1 LYS 102 24.954 12.679 8.705 198 HZ2 LYS 102 HZ2 LYS 102 26.002 11.764 9.548 199 HZ3 LYS 102 HZ3 LYS 102 25.569 11.313 8.041 200 H THR 103 H THR 103 18.135 12.750 8.374 201 HA THR 103 HA THR 103 18.369 12.668 11.177 202 HB THR 103 HB THR 103 15.724 13.157 9.757 203 HG1 THR 103 HG1 THR 103 17.819 15.052 9.967 204 HG21 THR 103 HG21 THR 103 17.007 14.489 12.170 205 HG22 THR 103 HG22 THR 103 15.484 14.984 11.396 206 HG23 THR 103 HG23 THR 103 15.603 13.400 12.175 207 H LEU 104 H LEU 104 16.479 10.480 9.113 208 HA LEU 104 HA LEU 104 15.004 9.251 11.347 209 HB2 LEU 104 HB2 LEU 104 14.104 9.361 8.990 210 HB3 LEU 104 HB3 LEU 104 15.451 8.362 8.441 211 HG LEU 104 HG LEU 104 14.655 6.511 9.939 212 HD11 LEU 104 HD11 LEU 104 12.360 6.607 10.804 213 HD12 LEU 104 HD12 LEU 104 13.356 7.822 11.601 214 HD13 LEU 104 HD13 LEU 104 12.219 8.302 10.320 215 HD21 LEU 104 HD21 LEU 104 12.564 7.530 7.984 216 HD22 LEU 104 HD22 LEU 104 14.030 6.625 7.536 217 HD23 LEU 104 HD23 LEU 104 12.783 5.856 8.532 218 H LYS 105 H LYS 105 17.832 8.448 9.247 219 HA LYS 105 HA LYS 105 18.534 5.994 10.445 220 HB2 LYS 105 HB2 LYS 105 19.487 7.224 8.345 221 HB3 LYS 105 HB3 LYS 105 20.604 8.000 9.508 222 HG2 LYS 105 HG2 LYS 105 21.388 5.771 10.229 223 HG3 LYS 105 HG3 LYS 105 20.243 4.999 9.112 224 HD2 LYS 105 HD2 LYS 105 21.400 6.070 7.194 225 HD3 LYS 105 HD3 LYS 105 22.565 6.816 8.317 226 HE2 LYS 105 HE2 LYS 105 23.250 4.556 9.097 227 HE3 LYS 105 HE3 LYS 105 22.095 3.815 7.986 228 HZ1 LYS 105 HZ1 LYS 105 23.361 4.797 6.125 229 HZ2 LYS 105 HZ2 LYS 105 24.435 5.466 7.162 230 HZ3 LYS 105 HZ3 LYS 105 24.329 3.847 7.027 231 H GLU 106 H GLU 106 19.578 9.283 11.363 232 HA GLU 106 HA GLU 106 21.130 8.565 13.587 233 HB2 GLU 106 HB2 GLU 106 19.491 11.008 12.864 234 HB3 GLU 106 HB3 GLU 106 20.123 10.874 14.501 235 HG2 GLU 106 HG2 GLU 106 22.397 10.499 13.594 236 HG3 GLU 106 HG3 GLU 106 21.757 10.742 11.951 237 H TRP 107 H TRP 107 17.597 9.105 13.461 238 HA TRP 107 HA TRP 107 17.202 8.588 16.257 239 HB2 TRP 107 HB2 TRP 107 15.242 8.350 13.948 240 HB3 TRP 107 HB3 TRP 107 14.817 8.273 15.642 241 HD1 TRP 107 HD1 TRP 107 17.274 10.903 15.631 242 HE1 TRP 107 HE1 TRP 107 16.265 13.237 15.398 243 HE3 TRP 107 HE3 TRP 107 12.567 9.614 14.026 244 HZ2 TRP 107 HZ2 TRP 107 13.815 14.404 14.553 245 HZ3 TRP 107 HZ3 TRP 107 10.885 11.397 13.585 246 HH2 TRP 107 HH2 TRP 107 11.511 13.805 13.822 247 H LYS 108 H LYS 108 17.136 6.376 13.445 248 HA LYS 108 HA LYS 108 16.361 4.000 14.930 249 HB2 LYS 108 HB2 LYS 108 18.047 4.254 12.384 250 HB3 LYS 108 HB3 LYS 108 17.342 2.744 13.019 251 HG2 LYS 108 HG2 LYS 108 15.058 3.746 12.779 252 HG3 LYS 108 HG3 LYS 108 15.767 5.173 12.075 253 HD2 LYS 108 HD2 LYS 108 15.485 4.209 10.068 254 HD3 LYS 108 HD3 LYS 108 16.881 3.195 10.469 255 HE2 LYS 108 HE2 LYS 108 15.284 1.572 11.562 256 HE3 LYS 108 HE3 LYS 108 13.934 2.583 11.033 257 HZ1 LYS 108 HZ1 LYS 108 14.259 0.758 9.507 258 HZ2 LYS 108 HZ2 LYS 108 14.631 2.136 8.704 259 HZ3 LYS 108 HZ3 LYS 108 15.831 1.142 9.224 260 H ALA 109 H ALA 109 19.515 5.492 14.299 261 HA ALA 109 HA ALA 109 21.082 3.454 15.611 262 HB1 ALA 109 HB1 ALA 109 21.685 6.393 15.069 263 HB2 ALA 109 HB2 ALA 109 22.872 5.134 15.469 264 HB3 ALA 109 HB3 ALA 109 21.972 5.048 13.939 265 H LYS 110 H LYS 110 19.582 6.458 16.769 266 HA LYS 110 HA LYS 110 20.819 6.150 19.439 267 HB2 LYS 110 HB2 LYS 110 19.359 8.448 18.099 268 HB3 LYS 110 HB3 LYS 110 19.873 8.476 19.787 269 HG2 LYS 110 HG2 LYS 110 22.199 7.977 19.125 270 HG3 LYS 110 HG3 LYS 110 21.756 7.997 17.424 271 HD2 LYS 110 HD2 LYS 110 21.344 10.410 19.239 272 HD3 LYS 110 HD3 LYS 110 22.882 10.062 18.444 273 HE2 LYS 110 HE2 LYS 110 21.758 10.082 16.216 274 HE3 LYS 110 HE3 LYS 110 20.234 10.532 17.009 275 HZ1 LYS 110 HZ1 LYS 110 22.733 12.149 17.215 276 HZ2 LYS 110 HZ2 LYS 110 21.585 12.463 16.105 277 HZ3 LYS 110 HZ3 LYS 110 21.246 12.611 17.715 278 H TRP 111 H TRP 111 17.629 5.549 18.216 279 HA TRP 111 HA TRP 111 16.816 4.851 21.021 280 HB2 TRP 111 HB2 TRP 111 15.167 6.209 18.866 281 HB3 TRP 111 HB3 TRP 111 14.472 5.477 20.303 282 HD1 TRP 111 HD1 TRP 111 15.134 6.498 22.706 283 HE1 TRP 111 HE1 TRP 111 15.829 8.850 23.444 284 HE3 TRP 111 HE3 TRP 111 16.380 8.403 18.160 285 HZ2 TRP 111 HZ2 TRP 111 16.850 11.266 22.200 286 HZ3 TRP 111 HZ3 TRP 111 17.302 10.724 17.956 287 HH2 TRP 111 HH2 TRP 111 17.509 12.161 19.970 288 H GLY 112 H GLY 112 17.357 3.533 17.967 289 HA2 GLY 112 HA2 GLY 112 17.401 1.176 17.766 290 HA3 GLY 112 HA3 GLY 112 15.962 1.003 18.752 291 HA PRO 113 HA PRO 113 15.092 1.830 14.037 292 HB2 PRO 113 HB2 PRO 113 15.378 -0.698 12.842 293 HB3 PRO 113 HB3 PRO 113 16.574 0.627 12.802 294 HG2 PRO 113 HG2 PRO 113 16.499 -1.757 14.621 295 HG3 PRO 113 HG3 PRO 113 17.911 -0.941 13.823 296 HD2 PRO 113 HD2 PRO 113 17.293 -0.581 16.436 297 HD3 PRO 113 HD3 PRO 113 17.973 0.728 15.413 298 H GLU 114 H GLU 114 14.272 -1.119 15.931 299 HA GLU 114 HA GLU 114 11.720 -1.515 14.703 300 HB2 GLU 114 HB2 GLU 114 12.832 -2.342 17.410 301 HB3 GLU 114 HB3 GLU 114 11.275 -2.894 16.777 302 HG2 GLU 114 HG2 GLU 114 12.437 -3.867 14.791 303 HG3 GLU 114 HG3 GLU 114 13.988 -3.396 15.481 304 H ALA 115 H ALA 115 12.748 0.323 17.550 305 HA ALA 115 HA ALA 115 10.122 1.150 18.436 306 HB1 ALA 115 HB1 ALA 115 11.404 2.870 19.692 307 HB2 ALA 115 HB2 ALA 115 12.119 1.252 19.877 308 HB3 ALA 115 HB3 ALA 115 12.867 2.438 18.789 309 H VAL 116 H VAL 116 12.600 2.769 16.377 310 HA VAL 116 HA VAL 116 11.007 5.054 15.754 311 HB VAL 116 HB VAL 116 13.326 3.769 14.291 312 HG11 VAL 116 HG11 VAL 116 12.144 5.232 12.699 313 HG12 VAL 116 HG12 VAL 116 12.084 6.534 13.907 314 HG13 VAL 116 HG13 VAL 116 13.641 6.010 13.228 315 HG21 VAL 116 HG21 VAL 116 13.221 6.222 16.098 316 HG22 VAL 116 HG22 VAL 116 13.775 4.642 16.643 317 HG23 VAL 116 HG23 VAL 116 14.647 5.482 15.368 318 H GLU 117 H GLU 117 11.274 1.908 13.973 319 HA GLU 117 HA GLU 117 9.449 2.754 11.881 320 HB2 GLU 117 HB2 GLU 117 10.380 0.034 12.875 321 HB3 GLU 117 HB3 GLU 117 9.180 0.222 11.583 322 HG2 GLU 117 HG2 GLU 117 10.712 1.540 10.234 323 HG3 GLU 117 HG3 GLU 117 11.924 1.538 11.509 324 H SER 118 H SER 118 8.929 1.665 15.174 325 HA SER 118 HA SER 118 6.031 1.275 14.844 326 HB2 SER 118 HB2 SER 118 7.543 1.706 17.420 327 HB3 SER 118 HB3 SER 118 5.882 1.149 17.195 328 HG SER 118 HG SER 118 8.264 -0.197 16.391 329 H TRP 119 H TRP 119 8.143 4.082 15.370 330 HA TRP 119 HA TRP 119 5.988 5.894 16.136 331 HB2 TRP 119 HB2 TRP 119 8.605 6.632 14.786 332 HB3 TRP 119 HB3 TRP 119 7.526 7.678 15.671 333 HD1 TRP 119 HD1 TRP 119 7.542 5.214 18.107 334 HE1 TRP 119 HE1 TRP 119 9.451 5.393 19.799 335 HE3 TRP 119 HE3 TRP 119 10.674 8.350 15.493 336 HZ2 TRP 119 HZ2 TRP 119 12.070 6.584 19.930 337 HZ3 TRP 119 HZ3 TRP 119 12.797 9.110 16.521 338 HH2 TRP 119 HH2 TRP 119 13.525 8.216 18.717 339 H ALA 120 H ALA 120 6.879 4.436 13.109 340 HA ALA 120 HA ALA 120 6.332 6.532 11.330 341 HB1 ALA 120 HB1 ALA 120 7.472 4.355 10.776 342 HB2 ALA 120 HB2 ALA 120 5.877 3.575 10.768 343 HB3 ALA 120 HB3 ALA 120 6.247 4.859 9.593 344 H THR 121 H THR 121 4.568 7.263 10.227 345 HA THR 121 HA THR 121 1.940 5.853 10.340 346 HB THR 121 HB THR 121 0.961 8.283 10.325 347 HG1 THR 121 HG1 THR 121 3.359 8.693 11.796 348 HG21 THR 121 HG21 THR 121 0.711 8.313 12.749 349 HG22 THR 121 HG22 THR 121 0.467 6.685 12.098 350 HG23 THR 121 HG23 THR 121 1.993 7.090 12.922 351 H LEU 122 H LEU 122 1.266 5.401 8.457 352 HA LEU 122 HA LEU 122 2.338 6.554 6.012 353 HB2 LEU 122 HB2 LEU 122 0.117 4.609 6.736 354 HB3 LEU 122 HB3 LEU 122 0.401 5.099 5.064 355 HG LEU 122 HG LEU 122 2.577 3.865 6.810 356 HD11 LEU 122 HD11 LEU 122 2.102 1.735 5.640 357 HD12 LEU 122 HD12 LEU 122 0.714 2.264 6.597 358 HD13 LEU 122 HD13 LEU 122 0.709 2.485 4.833 359 HD21 LEU 122 HD21 LEU 122 3.619 3.351 4.604 360 HD22 LEU 122 HD22 LEU 122 2.258 4.139 3.776 361 HD23 LEU 122 HD23 LEU 122 3.368 5.094 4.777 362 H LEU 123 H LEU 123 1.750 8.428 5.151 363 HA LEU 123 HA LEU 123 -0.733 9.800 5.971 364 HB2 LEU 123 HB2 LEU 123 1.360 10.570 3.892 365 HB3 LEU 123 HB3 LEU 123 0.102 11.612 4.541 366 HG LEU 123 HG LEU 123 2.550 10.558 6.017 367 HD11 LEU 123 HD11 LEU 123 1.554 13.378 5.446 368 HD12 LEU 123 HD12 LEU 123 3.079 12.915 6.230 369 HD13 LEU 123 HD13 LEU 123 2.812 12.535 4.523 370 HD21 LEU 123 HD21 LEU 123 0.141 12.081 7.122 371 HD22 LEU 123 HD22 LEU 123 0.753 10.494 7.659 372 HD23 LEU 123 HD23 LEU 123 1.700 11.951 7.951 373 H GLY 124 H GLY 124 -2.059 10.848 4.127 374 HA2 GLY 124 HA2 GLY 124 -3.243 8.760 2.495 375 HA3 GLY 124 HA3 GLY 124 -3.730 10.450 2.587 376 H HIS 125 H HIS 125 -0.447 10.328 1.807 377 HA HIS 125 HA HIS 125 -0.790 10.348 -1.142 378 HB2 HIS 125 HB2 HIS 125 0.529 12.614 0.343 379 HB3 HIS 125 HB3 HIS 125 0.248 12.431 -1.390 380 HD1 HIS 125 HD1 HIS 125 -2.535 12.403 -2.062 381 HD2 HIS 125 HD2 HIS 125 -1.268 14.019 1.630 382 HE1 HIS 125 HE1 HIS 125 -4.473 13.880 -1.208 383 HE2 HIS 125 HE2 HIS 125 -3.682 14.873 1.039 Start of MODEL 16 1 H ALA 79 H1 ALA 79 3.515 0.553 -0.960 2 HA ALA 79 HA ALA 79 4.446 1.070 -3.713 3 HB1 ALA 79 HB1 ALA 79 2.547 2.640 -3.931 4 HB2 ALA 79 HB2 ALA 79 1.966 1.004 -3.612 5 HB3 ALA 79 HB3 ALA 79 1.979 2.214 -2.306 6 H ARG 80 H ARG 80 4.715 3.559 -4.016 7 HA ARG 80 HA ARG 80 6.794 4.451 -2.181 8 HB2 ARG 80 HB2 ARG 80 5.710 5.700 -4.689 9 HB3 ARG 80 HB3 ARG 80 7.116 6.236 -3.733 10 HG2 ARG 80 HG2 ARG 80 8.128 3.946 -3.989 11 HG3 ARG 80 HG3 ARG 80 6.801 3.528 -5.082 12 HD2 ARG 80 HD2 ARG 80 8.593 4.153 -6.468 13 HD3 ARG 80 HD3 ARG 80 7.439 5.508 -6.492 14 HE ARG 80 HE ARG 80 9.497 5.859 -4.465 15 HH11 ARG 80 HH11 ARG 80 9.062 6.180 -7.932 16 HH12 ARG 80 HH12 ARG 80 10.339 7.355 -8.072 17 HH21 ARG 80 HH21 ARG 80 11.120 7.354 -4.719 18 HH22 ARG 80 HH22 ARG 80 11.473 8.000 -6.294 19 H LYS 81 H LYS 81 4.317 4.385 -0.797 20 HA LYS 81 HA LYS 81 3.092 7.019 -0.462 21 HB2 LYS 81 HB2 LYS 81 3.117 4.438 1.177 22 HB3 LYS 81 HB3 LYS 81 2.280 5.906 1.724 23 HG2 LYS 81 HG2 LYS 81 0.837 5.900 -0.236 24 HG3 LYS 81 HG3 LYS 81 1.703 4.518 -0.930 25 HD2 LYS 81 HD2 LYS 81 1.011 3.077 0.925 26 HD3 LYS 81 HD3 LYS 81 0.240 4.450 1.749 27 HE2 LYS 81 HE2 LYS 81 -1.376 4.714 -0.062 28 HE3 LYS 81 HE3 LYS 81 -0.595 3.447 -1.012 29 HZ1 LYS 81 HZ1 LYS 81 -1.773 2.920 1.679 30 HZ2 LYS 81 HZ2 LYS 81 -2.619 2.724 0.293 31 HZ3 LYS 81 HZ3 LYS 81 -1.285 1.807 0.581 32 H VAL 82 H VAL 82 3.230 8.369 1.289 33 HA VAL 82 HA VAL 82 5.964 8.804 2.352 34 HB VAL 82 HB VAL 82 3.385 10.385 2.678 35 HG11 VAL 82 HG11 VAL 82 4.903 12.222 3.506 36 HG12 VAL 82 HG12 VAL 82 4.770 10.865 4.628 37 HG13 VAL 82 HG13 VAL 82 6.221 11.043 3.604 38 HG21 VAL 82 HG21 VAL 82 4.459 11.987 1.157 39 HG22 VAL 82 HG22 VAL 82 5.900 10.953 1.044 40 HG23 VAL 82 HG23 VAL 82 4.346 10.404 0.376 41 H LYS 83 H LYS 83 6.635 8.381 4.352 42 HA LYS 83 HA LYS 83 4.691 7.574 6.490 43 HB2 LYS 83 HB2 LYS 83 7.577 6.744 5.972 44 HB3 LYS 83 HB3 LYS 83 6.825 6.614 7.574 45 HG2 LYS 83 HG2 LYS 83 5.064 5.172 6.711 46 HG3 LYS 83 HG3 LYS 83 5.755 5.254 5.075 47 HD2 LYS 83 HD2 LYS 83 7.766 4.125 5.765 48 HD3 LYS 83 HD3 LYS 83 7.351 4.264 7.487 49 HE2 LYS 83 HE2 LYS 83 5.433 2.773 7.208 50 HE3 LYS 83 HE3 LYS 83 5.720 2.673 5.457 51 HZ1 LYS 83 HZ1 LYS 83 7.614 1.679 7.546 52 HZ2 LYS 83 HZ2 LYS 83 6.650 0.740 6.620 53 HZ3 LYS 83 HZ3 LYS 83 7.861 1.587 5.928 54 H GLN 84 H GLN 84 4.410 9.029 7.957 55 HA GLN 84 HA GLN 84 6.365 11.200 8.499 56 HB2 GLN 84 HB2 GLN 84 3.925 11.682 8.292 57 HB3 GLN 84 HB3 GLN 84 3.596 10.601 9.633 58 HG2 GLN 84 HG2 GLN 84 4.923 12.079 11.136 59 HG3 GLN 84 HG3 GLN 84 5.278 13.146 9.776 60 HE21 GLN 84 HE22 GLN 84 3.452 14.478 8.864 61 HE22 GLN 84 HE21 GLN 84 2.015 14.673 9.862 62 H TYR 85 H TYR 85 7.372 11.347 10.507 63 HA TYR 85 HA TYR 85 7.047 9.133 12.491 64 HB2 TYR 85 HB2 TYR 85 9.691 10.236 11.441 65 HB3 TYR 85 HB3 TYR 85 9.524 9.200 12.832 66 HD1 TYR 85 HD1 TYR 85 9.079 9.302 9.111 67 HD2 TYR 85 HD2 TYR 85 9.560 6.859 12.631 68 HE1 TYR 85 HE1 TYR 85 9.497 7.321 7.675 69 HE2 TYR 85 HE2 TYR 85 10.012 4.881 11.196 70 HH TYR 85 HH TYR 85 10.016 5.060 7.612 71 H LYS 86 H LYS 86 7.399 9.817 14.619 72 HA LYS 86 HA LYS 86 8.033 12.691 15.127 73 HB2 LYS 86 HB2 LYS 86 5.581 12.346 15.236 74 HB3 LYS 86 HB3 LYS 86 5.816 11.038 16.418 75 HG2 LYS 86 HG2 LYS 86 6.707 12.623 18.061 76 HG3 LYS 86 HG3 LYS 86 6.634 13.939 16.878 77 HD2 LYS 86 HD2 LYS 86 4.166 13.690 16.753 78 HD3 LYS 86 HD3 LYS 86 4.239 12.377 17.951 79 HE2 LYS 86 HE2 LYS 86 5.246 13.948 19.599 80 HE3 LYS 86 HE3 LYS 86 5.182 15.252 18.407 81 HZ1 LYS 86 HZ1 LYS 86 3.265 15.342 19.907 82 HZ2 LYS 86 HZ2 LYS 86 2.739 15.032 18.396 83 HZ3 LYS 86 HZ3 LYS 86 2.796 13.835 19.510 84 H ASN 87 H ASN 87 9.275 13.073 16.909 85 HA ASN 87 HA ASN 87 10.364 10.659 18.342 86 HB2 ASN 87 HB2 ASN 87 11.866 11.645 16.677 87 HB3 ASN 87 HB3 ASN 87 11.850 13.180 17.544 88 HD21 ASN 87 HD22 ASN 87 14.272 12.155 17.182 89 HD22 ASN 87 HD21 ASN 87 14.862 11.357 18.633 90 HA PRO 88 HA PRO 88 8.293 12.951 21.772 91 HB2 PRO 88 HB2 PRO 88 9.202 10.318 22.973 92 HB3 PRO 88 HB3 PRO 88 7.716 11.255 23.325 93 HG2 PRO 88 HG2 PRO 88 7.621 9.139 21.634 94 HG3 PRO 88 HG3 PRO 88 6.749 10.655 21.221 95 HD2 PRO 88 HD2 PRO 88 9.368 9.627 20.150 96 HD3 PRO 88 HD3 PRO 88 8.044 10.498 19.313 97 H HIS 89 H HIS 89 11.578 11.614 21.625 98 HA HIS 89 HA HIS 89 12.539 12.644 24.133 99 HB2 HIS 89 HB2 HIS 89 14.128 12.057 21.598 100 HB3 HIS 89 HB3 HIS 89 14.768 12.192 23.230 101 HD1 HIS 89 HD1 HIS 89 13.131 9.715 20.927 102 HD2 HIS 89 HD2 HIS 89 13.950 10.220 25.043 103 HE1 HIS 89 HE1 HIS 89 12.791 7.385 22.048 104 HE2 HIS 89 HE2 HIS 89 13.308 7.717 24.549 105 H THR 90 H THR 90 12.190 14.192 20.989 106 HA THR 90 HA THR 90 13.278 16.760 22.108 107 HB THR 90 HB THR 90 14.084 17.270 19.880 108 HG1 THR 90 HG1 THR 90 13.862 15.871 18.237 109 HG21 THR 90 HG21 THR 90 14.908 14.405 20.532 110 HG22 THR 90 HG22 THR 90 15.840 15.608 19.612 111 HG23 THR 90 HG23 THR 90 15.565 15.846 21.349 112 H GLY 91 H GLY 91 10.536 15.273 20.603 113 HA2 GLY 91 HA2 GLY 91 8.405 16.218 20.293 114 HA3 GLY 91 HA3 GLY 91 9.081 17.846 20.412 115 H GLU 92 H GLU 92 11.115 16.177 18.329 116 HA GLU 92 HA GLU 92 10.320 17.610 16.009 117 HB2 GLU 92 HB2 GLU 92 12.276 15.422 16.668 118 HB3 GLU 92 HB3 GLU 92 11.836 15.607 14.980 119 HG2 GLU 92 HG2 GLU 92 12.513 17.718 14.757 120 HG3 GLU 92 HG3 GLU 92 12.573 18.064 16.510 121 H VAL 93 H VAL 93 9.522 17.051 14.059 122 HA VAL 93 HA VAL 93 8.380 14.362 13.574 123 HB VAL 93 HB VAL 93 7.211 17.037 12.782 124 HG11 VAL 93 HG11 VAL 93 6.079 14.216 12.481 125 HG12 VAL 93 HG12 VAL 93 5.207 15.713 12.092 126 HG13 VAL 93 HG13 VAL 93 6.625 15.259 11.146 127 HG21 VAL 93 HG21 VAL 93 5.362 16.552 14.332 128 HG22 VAL 93 HG22 VAL 93 6.252 15.121 14.909 129 HG23 VAL 93 HG23 VAL 93 6.929 16.762 15.135 130 H ILE 94 H ILE 94 8.713 13.599 11.517 131 HA ILE 94 HA ILE 94 9.811 15.309 9.385 132 HB ILE 94 HB ILE 94 11.534 13.626 8.787 133 HG12 ILE 94 HG12 ILE 94 10.916 12.388 11.496 134 HG13 ILE 94 HG13 ILE 94 10.580 11.670 9.925 135 HG21 ILE 94 HG21 ILE 94 12.063 15.701 10.030 136 HG22 ILE 94 HG22 ILE 94 12.001 14.787 11.555 137 HG23 ILE 94 HG23 ILE 94 13.217 14.397 10.320 138 HD11 ILE 94 HD11 ILE 94 13.349 12.213 11.057 139 HD12 ILE 94 HD12 ILE 94 12.545 10.652 10.885 140 HD13 ILE 94 HD13 ILE 94 12.990 11.563 9.428 141 H GLU 95 H GLU 95 9.757 14.260 7.338 142 HA GLU 95 HA GLU 95 7.934 11.933 6.985 143 HB2 GLU 95 HB2 GLU 95 7.590 14.719 5.815 144 HB3 GLU 95 HB3 GLU 95 6.908 13.281 5.030 145 HG2 GLU 95 HG2 GLU 95 5.547 12.762 6.929 146 HG3 GLU 95 HG3 GLU 95 6.327 14.001 7.915 147 H THR 96 H THR 96 8.496 10.589 5.412 148 HA THR 96 HA THR 96 10.189 11.386 3.128 149 HB THR 96 HB THR 96 11.938 10.884 4.640 150 HG1 THR 96 HG1 THR 96 12.868 9.172 3.606 151 HG21 THR 96 HG21 THR 96 12.143 8.724 5.854 152 HG22 THR 96 HG22 THR 96 10.812 9.715 6.469 153 HG23 THR 96 HG23 THR 96 10.466 8.324 5.408 154 H LYS 97 H LYS 97 10.301 9.682 1.471 155 HA LYS 97 HA LYS 97 7.908 7.885 1.421 156 HB2 LYS 97 HB2 LYS 97 9.912 8.713 -0.725 157 HB3 LYS 97 HB3 LYS 97 8.623 7.524 -0.971 158 HG2 LYS 97 HG2 LYS 97 6.914 9.200 -0.382 159 HG3 LYS 97 HG3 LYS 97 8.177 10.424 -0.163 160 HD2 LYS 97 HD2 LYS 97 8.845 10.160 -2.540 161 HD3 LYS 97 HD3 LYS 97 7.574 8.929 -2.758 162 HE2 LYS 97 HE2 LYS 97 5.845 10.600 -2.140 163 HE3 LYS 97 HE3 LYS 97 7.098 11.822 -1.900 164 HZ1 LYS 97 HZ1 LYS 97 6.500 10.500 -4.507 165 HZ2 LYS 97 HZ2 LYS 97 6.085 12.026 -4.108 166 HZ3 LYS 97 HZ3 LYS 97 7.658 11.630 -4.277 167 H GLY 98 H GLY 98 10.948 7.606 2.649 168 HA2 GLY 98 HA2 GLY 98 11.491 5.481 3.685 169 HA3 GLY 98 HA3 GLY 98 10.983 4.631 2.230 170 H GLY 99 H GLY 99 12.793 7.385 1.350 171 HA2 GLY 99 HA2 GLY 99 15.095 5.837 0.473 172 HA3 GLY 99 HA3 GLY 99 14.861 7.575 0.321 173 H ASN 100 H ASN 100 17.315 7.018 0.821 174 HA ASN 100 HA ASN 100 18.126 6.693 3.563 175 HB2 ASN 100 HB2 ASN 100 19.544 6.113 1.631 176 HB3 ASN 100 HB3 ASN 100 19.605 7.810 1.145 177 HD21 ASN 100 HD22 ASN 100 21.962 7.661 1.316 178 HD22 ASN 100 HD21 ASN 100 22.709 7.726 2.902 179 H HIS 101 H HIS 101 16.761 8.150 4.684 180 HA HIS 101 HA HIS 101 17.341 11.073 4.454 181 HB2 HIS 101 HB2 HIS 101 15.003 10.139 4.269 182 HB3 HIS 101 HB3 HIS 101 15.102 9.628 5.950 183 HD1 HIS 101 HD1 HIS 101 14.838 11.630 7.764 184 HD2 HIS 101 HD2 HIS 101 14.802 12.755 3.705 185 HE1 HIS 101 HE1 HIS 101 14.272 14.154 7.725 186 HE2 HIS 101 HE2 HIS 101 14.189 14.807 5.227 187 H LYS 102 H LYS 102 19.283 11.289 5.523 188 HA LYS 102 HA LYS 102 20.389 9.857 7.543 189 HB2 LYS 102 HB2 LYS 102 21.524 11.571 6.199 190 HB3 LYS 102 HB3 LYS 102 20.683 12.851 7.053 191 HG2 LYS 102 HG2 LYS 102 22.961 12.688 7.811 192 HG3 LYS 102 HG3 LYS 102 21.873 12.294 9.136 193 HD2 LYS 102 HD2 LYS 102 22.320 9.880 8.820 194 HD3 LYS 102 HD3 LYS 102 23.372 10.230 7.443 195 HE2 LYS 102 HE2 LYS 102 23.820 11.248 10.294 196 HE3 LYS 102 HE3 LYS 102 24.514 9.752 9.664 197 HZ1 LYS 102 HZ1 LYS 102 25.088 12.478 8.591 198 HZ2 LYS 102 HZ2 LYS 102 26.107 11.558 9.462 199 HZ3 LYS 102 HZ3 LYS 102 25.683 11.083 7.964 200 H THR 103 H THR 103 18.304 12.686 8.284 201 HA THR 103 HA THR 103 18.537 12.621 11.084 202 HB THR 103 HB THR 103 15.998 13.259 9.517 203 HG1 THR 103 HG1 THR 103 16.914 15.375 9.469 204 HG21 THR 103 HG21 THR 103 15.610 13.277 11.945 205 HG22 THR 103 HG22 THR 103 17.030 14.321 12.186 206 HG23 THR 103 HG23 THR 103 15.600 14.920 11.305 207 H LEU 104 H LEU 104 16.542 10.476 9.060 208 HA LEU 104 HA LEU 104 15.069 9.297 11.334 209 HB2 LEU 104 HB2 LEU 104 14.124 9.391 9.005 210 HB3 LEU 104 HB3 LEU 104 15.457 8.385 8.429 211 HG LEU 104 HG LEU 104 14.674 6.532 9.914 212 HD11 LEU 104 HD11 LEU 104 13.432 7.852 11.620 213 HD12 LEU 104 HD12 LEU 104 12.258 8.334 10.375 214 HD13 LEU 104 HD13 LEU 104 12.410 6.639 10.853 215 HD21 LEU 104 HD21 LEU 104 12.758 5.911 8.550 216 HD22 LEU 104 HD22 LEU 104 12.539 7.598 8.028 217 HD23 LEU 104 HD23 LEU 104 13.985 6.681 7.529 218 H LYS 105 H LYS 105 17.859 8.416 9.211 219 HA LYS 105 HA LYS 105 18.514 5.955 10.421 220 HB2 LYS 105 HB2 LYS 105 19.476 7.166 8.307 221 HB3 LYS 105 HB3 LYS 105 20.627 7.902 9.463 222 HG2 LYS 105 HG2 LYS 105 21.353 5.648 10.167 223 HG3 LYS 105 HG3 LYS 105 20.182 4.912 9.057 224 HD2 LYS 105 HD2 LYS 105 21.358 5.953 7.128 225 HD3 LYS 105 HD3 LYS 105 22.536 6.684 8.243 226 HE2 LYS 105 HE2 LYS 105 23.190 4.411 9.030 227 HE3 LYS 105 HE3 LYS 105 22.018 3.689 7.922 228 HZ1 LYS 105 HZ1 LYS 105 23.292 4.641 6.056 229 HZ2 LYS 105 HZ2 LYS 105 24.380 5.303 7.082 230 HZ3 LYS 105 HZ3 LYS 105 24.249 3.681 6.959 231 H GLU 106 H GLU 106 19.638 9.222 11.317 232 HA GLU 106 HA GLU 106 21.167 8.459 13.546 233 HB2 GLU 106 HB2 GLU 106 19.651 10.975 12.811 234 HB3 GLU 106 HB3 GLU 106 20.312 10.811 14.442 235 HG2 GLU 106 HG2 GLU 106 22.538 10.325 13.524 236 HG3 GLU 106 HG3 GLU 106 21.897 10.541 11.876 237 H TRP 107 H TRP 107 17.658 9.176 13.423 238 HA TRP 107 HA TRP 107 17.199 8.688 16.201 239 HB2 TRP 107 HB2 TRP 107 15.280 8.379 13.864 240 HB3 TRP 107 HB3 TRP 107 14.830 8.358 15.556 241 HD1 TRP 107 HD1 TRP 107 17.317 11.023 15.297 242 HE1 TRP 107 HE1 TRP 107 16.251 13.326 15.065 243 HE3 TRP 107 HE3 TRP 107 12.528 9.604 14.095 244 HZ2 TRP 107 HZ2 TRP 107 13.715 14.426 14.391 245 HZ3 TRP 107 HZ3 TRP 107 10.787 11.345 13.707 246 HH2 TRP 107 HH2 TRP 107 11.376 13.764 13.844 247 H LYS 108 H LYS 108 17.174 6.407 13.448 248 HA LYS 108 HA LYS 108 16.349 4.060 14.961 249 HB2 LYS 108 HB2 LYS 108 18.028 4.270 12.408 250 HB3 LYS 108 HB3 LYS 108 17.324 2.766 13.063 251 HG2 LYS 108 HG2 LYS 108 15.049 3.743 12.823 252 HG3 LYS 108 HG3 LYS 108 15.728 5.193 12.140 253 HD2 LYS 108 HD2 LYS 108 15.480 4.257 10.115 254 HD3 LYS 108 HD3 LYS 108 16.872 3.239 10.507 255 HE2 LYS 108 HE2 LYS 108 15.273 1.600 11.577 256 HE3 LYS 108 HE3 LYS 108 13.928 2.613 11.043 257 HZ1 LYS 108 HZ1 LYS 108 14.636 2.199 8.722 258 HZ2 LYS 108 HZ2 LYS 108 15.845 1.210 9.228 259 HZ3 LYS 108 HZ3 LYS 108 14.272 0.803 9.501 260 H ALA 109 H ALA 109 19.537 5.471 14.307 261 HA ALA 109 HA ALA 109 21.033 3.399 15.660 262 HB1 ALA 109 HB1 ALA 109 21.751 6.289 15.019 263 HB2 ALA 109 HB2 ALA 109 22.892 5.003 15.467 264 HB3 ALA 109 HB3 ALA 109 21.982 4.898 13.947 265 H LYS 110 H LYS 110 19.685 6.509 16.733 266 HA LYS 110 HA LYS 110 20.922 6.418 19.377 267 HB2 LYS 110 HB2 LYS 110 18.846 8.218 18.099 268 HB3 LYS 110 HB3 LYS 110 19.441 8.460 19.746 269 HG2 LYS 110 HG2 LYS 110 21.709 8.809 18.980 270 HG3 LYS 110 HG3 LYS 110 21.300 8.346 17.330 271 HD2 LYS 110 HD2 LYS 110 19.649 10.321 17.306 272 HD3 LYS 110 HD3 LYS 110 20.399 10.835 18.837 273 HE2 LYS 110 HE2 LYS 110 22.644 10.825 17.659 274 HE3 LYS 110 HE3 LYS 110 21.818 10.411 16.151 275 HZ1 LYS 110 HZ1 LYS 110 22.005 12.713 16.038 276 HZ2 LYS 110 HZ2 LYS 110 20.488 12.581 16.615 277 HZ3 LYS 110 HZ3 LYS 110 21.706 12.966 17.640 278 H TRP 111 H TRP 111 17.671 5.622 18.232 279 HA TRP 111 HA TRP 111 16.923 4.794 21.014 280 HB2 TRP 111 HB2 TRP 111 15.269 6.230 18.908 281 HB3 TRP 111 HB3 TRP 111 14.641 5.622 20.435 282 HD1 TRP 111 HD1 TRP 111 16.049 6.545 22.701 283 HE1 TRP 111 HE1 TRP 111 16.901 8.900 23.244 284 HE3 TRP 111 HE3 TRP 111 15.934 8.535 17.999 285 HZ2 TRP 111 HZ2 TRP 111 17.637 11.286 21.787 286 HZ3 TRP 111 HZ3 TRP 111 16.828 10.834 17.593 287 HH2 TRP 111 HH2 TRP 111 17.654 12.213 19.471 288 H GLY 112 H GLY 112 17.408 3.437 18.006 289 HA2 GLY 112 HA2 GLY 112 17.326 1.082 17.849 290 HA3 GLY 112 HA3 GLY 112 15.866 1.013 18.815 291 HA PRO 113 HA PRO 113 15.076 1.860 14.085 292 HB2 PRO 113 HB2 PRO 113 15.360 -0.663 12.862 293 HB3 PRO 113 HB3 PRO 113 16.557 0.663 12.829 294 HG2 PRO 113 HG2 PRO 113 16.477 -1.724 14.645 295 HG3 PRO 113 HG3 PRO 113 17.890 -0.926 13.836 296 HD2 PRO 113 HD2 PRO 113 17.312 -0.546 16.446 297 HD3 PRO 113 HD3 PRO 113 17.949 0.776 15.415 298 H GLU 114 H GLU 114 14.247 -1.085 15.972 299 HA GLU 114 HA GLU 114 11.700 -1.482 14.740 300 HB2 GLU 114 HB2 GLU 114 12.806 -2.313 17.448 301 HB3 GLU 114 HB3 GLU 114 11.248 -2.857 16.809 302 HG2 GLU 114 HG2 GLU 114 12.401 -3.839 14.833 303 HG3 GLU 114 HG3 GLU 114 13.960 -3.365 15.510 304 H ALA 115 H ALA 115 12.717 0.358 17.582 305 HA ALA 115 HA ALA 115 10.077 1.183 18.446 306 HB1 ALA 115 HB1 ALA 115 12.042 1.281 19.923 307 HB2 ALA 115 HB2 ALA 115 12.824 2.452 18.842 308 HB3 ALA 115 HB3 ALA 115 11.355 2.909 19.719 309 H VAL 116 H VAL 116 12.597 2.799 16.434 310 HA VAL 116 HA VAL 116 11.021 5.088 15.789 311 HB VAL 116 HB VAL 116 13.346 3.797 14.346 312 HG11 VAL 116 HG11 VAL 116 12.145 6.583 13.981 313 HG12 VAL 116 HG12 VAL 116 13.691 6.033 13.299 314 HG13 VAL 116 HG13 VAL 116 12.176 5.288 12.768 315 HG21 VAL 116 HG21 VAL 116 13.834 4.624 16.696 316 HG22 VAL 116 HG22 VAL 116 14.656 5.545 15.448 317 HG23 VAL 116 HG23 VAL 116 13.216 6.202 16.223 318 H GLU 117 H GLU 117 11.289 1.939 13.996 319 HA GLU 117 HA GLU 117 9.483 2.808 11.898 320 HB2 GLU 117 HB2 GLU 117 10.394 0.083 12.877 321 HB3 GLU 117 HB3 GLU 117 9.197 0.282 11.584 322 HG2 GLU 117 HG2 GLU 117 10.739 1.587 10.240 323 HG3 GLU 117 HG3 GLU 117 11.948 1.575 11.519 324 H SER 118 H SER 118 8.940 1.684 15.188 325 HA SER 118 HA SER 118 6.052 1.299 14.834 326 HB2 SER 118 HB2 SER 118 7.539 1.735 17.429 327 HB3 SER 118 HB3 SER 118 5.885 1.170 17.185 328 HG SER 118 HG SER 118 8.279 -0.164 16.387 329 H TRP 119 H TRP 119 8.143 4.113 15.361 330 HA TRP 119 HA TRP 119 5.979 5.921 16.121 331 HB2 TRP 119 HB2 TRP 119 8.600 6.652 14.776 332 HB3 TRP 119 HB3 TRP 119 7.520 7.709 15.633 333 HD1 TRP 119 HD1 TRP 119 7.464 5.294 18.097 334 HE1 TRP 119 HE1 TRP 119 9.335 5.479 19.827 335 HE3 TRP 119 HE3 TRP 119 10.715 8.344 15.502 336 HZ2 TRP 119 HZ2 TRP 119 11.937 6.634 20.015 337 HZ3 TRP 119 HZ3 TRP 119 12.817 9.086 16.581 338 HH2 TRP 119 HH2 TRP 119 13.471 8.215 18.807 339 H ALA 120 H ALA 120 6.852 4.437 13.110 340 HA ALA 120 HA ALA 120 6.296 6.538 11.327 341 HB1 ALA 120 HB1 ALA 120 6.247 4.871 9.588 342 HB2 ALA 120 HB2 ALA 120 7.498 4.419 10.762 343 HB3 ALA 120 HB3 ALA 120 5.931 3.577 10.760 344 H THR 121 H THR 121 4.528 7.280 10.274 345 HA THR 121 HA THR 121 1.954 5.756 10.245 346 HB THR 121 HB THR 121 0.913 8.168 10.212 347 HG1 THR 121 HG1 THR 121 1.966 9.542 11.717 348 HG21 THR 121 HG21 THR 121 0.365 6.433 11.855 349 HG22 THR 121 HG22 THR 121 1.791 6.893 12.827 350 HG23 THR 121 HG23 THR 121 0.443 8.035 12.601 351 H LEU 122 H LEU 122 1.411 5.269 8.340 352 HA LEU 122 HA LEU 122 2.400 6.475 5.906 353 HB2 LEU 122 HB2 LEU 122 0.104 4.612 6.630 354 HB3 LEU 122 HB3 LEU 122 0.425 5.073 4.959 355 HG LEU 122 HG LEU 122 2.524 3.744 6.731 356 HD11 LEU 122 HD11 LEU 122 1.943 1.635 5.578 357 HD12 LEU 122 HD12 LEU 122 0.573 2.237 6.521 358 HD13 LEU 122 HD13 LEU 122 0.590 2.446 4.757 359 HD21 LEU 122 HD21 LEU 122 3.372 4.919 4.685 360 HD22 LEU 122 HD22 LEU 122 3.549 3.160 4.547 361 HD23 LEU 122 HD23 LEU 122 2.238 3.987 3.689 362 H LEU 123 H LEU 123 1.592 8.114 4.691 363 HA LEU 123 HA LEU 123 -0.777 9.574 5.748 364 HB2 LEU 123 HB2 LEU 123 1.408 10.557 3.883 365 HB3 LEU 123 HB3 LEU 123 0.121 11.521 4.586 366 HG LEU 123 HG LEU 123 2.517 10.321 6.020 367 HD11 LEU 123 HD11 LEU 123 2.794 12.455 4.768 368 HD12 LEU 123 HD12 LEU 123 1.476 13.174 5.707 369 HD13 LEU 123 HD13 LEU 123 2.968 12.676 6.516 370 HD21 LEU 123 HD21 LEU 123 0.624 10.061 7.570 371 HD22 LEU 123 HD22 LEU 123 1.586 11.444 8.086 372 HD23 LEU 123 HD23 LEU 123 0.067 11.713 7.218 373 H GLY 124 H GLY 124 -1.555 7.411 4.456 374 HA2 GLY 124 HA2 GLY 124 -3.426 8.355 2.571 375 HA3 GLY 124 HA3 GLY 124 -2.106 7.644 1.642 376 H HIS 125 H HIS 125 -4.361 6.508 1.156 377 HA HIS 125 HA HIS 125 -4.347 3.854 2.502 378 HB2 HIS 125 HB2 HIS 125 -5.983 5.088 3.652 379 HB3 HIS 125 HB3 HIS 125 -6.779 5.595 2.155 380 HD1 HIS 125 HD1 HIS 125 -6.403 2.526 4.437 381 HD2 HIS 125 HD2 HIS 125 -8.361 3.798 0.919 382 HE1 HIS 125 HE1 HIS 125 -8.167 0.723 3.899 383 HE2 HIS 125 HE2 HIS 125 -9.359 1.505 1.748 Start of MODEL 17 1 H ALA 79 H1 ALA 79 4.099 0.417 0.931 2 HA ALA 79 HA ALA 79 3.344 0.123 -1.908 3 HB1 ALA 79 HB1 ALA 79 1.365 -0.074 -0.418 4 HB2 ALA 79 HB2 ALA 79 1.784 1.468 0.364 5 HB3 ALA 79 HB3 ALA 79 1.308 1.430 -1.344 6 H ARG 80 H ARG 80 2.966 2.263 -2.983 7 HA ARG 80 HA ARG 80 5.314 3.991 -2.697 8 HB2 ARG 80 HB2 ARG 80 3.056 4.010 -4.671 9 HB3 ARG 80 HB3 ARG 80 4.484 5.078 -4.664 10 HG2 ARG 80 HG2 ARG 80 5.982 3.076 -4.714 11 HG3 ARG 80 HG3 ARG 80 4.555 2.034 -4.809 12 HD2 ARG 80 HD2 ARG 80 5.377 2.265 -7.003 13 HD3 ARG 80 HD3 ARG 80 3.878 3.222 -6.888 14 HE ARG 80 HE ARG 80 6.204 4.861 -6.369 15 HH11 ARG 80 HH11 ARG 80 4.546 3.398 -9.090 16 HH12 ARG 80 HH12 ARG 80 5.133 4.592 -10.214 17 HH21 ARG 80 HH21 ARG 80 6.917 6.354 -7.855 18 HH22 ARG 80 HH22 ARG 80 6.461 6.211 -9.526 19 H LYS 81 H LYS 81 4.515 4.510 -0.408 20 HA LYS 81 HA LYS 81 2.920 7.060 -0.337 21 HB2 LYS 81 HB2 LYS 81 2.608 4.557 1.390 22 HB3 LYS 81 HB3 LYS 81 1.968 6.141 1.863 23 HG2 LYS 81 HG2 LYS 81 0.591 6.224 -0.187 24 HG3 LYS 81 HG3 LYS 81 1.195 4.619 -0.666 25 HD2 LYS 81 HD2 LYS 81 0.227 3.624 1.376 26 HD3 LYS 81 HD3 LYS 81 -0.357 5.222 1.891 27 HE2 LYS 81 HE2 LYS 81 -1.721 5.396 -0.181 28 HE3 LYS 81 HE3 LYS 81 -1.149 3.804 -0.700 29 HZ1 LYS 81 HZ1 LYS 81 -3.330 3.656 0.379 30 HZ2 LYS 81 HZ2 LYS 81 -2.238 2.843 1.281 31 HZ3 LYS 81 HZ3 LYS 81 -2.763 4.316 1.758 32 H VAL 82 H VAL 82 3.272 8.395 1.388 33 HA VAL 82 HA VAL 82 6.056 8.578 2.334 34 HB VAL 82 HB VAL 82 3.576 10.290 2.778 35 HG11 VAL 82 HG11 VAL 82 6.432 10.840 3.698 36 HG12 VAL 82 HG12 VAL 82 5.150 12.060 3.598 37 HG13 VAL 82 HG13 VAL 82 4.968 10.715 4.715 38 HG21 VAL 82 HG21 VAL 82 6.085 10.804 1.129 39 HG22 VAL 82 HG22 VAL 82 4.513 10.310 0.460 40 HG23 VAL 82 HG23 VAL 82 4.678 11.871 1.268 41 H LYS 83 H LYS 83 6.800 8.180 4.367 42 HA LYS 83 HA LYS 83 4.878 7.359 6.526 43 HB2 LYS 83 HB2 LYS 83 7.807 6.668 6.039 44 HB3 LYS 83 HB3 LYS 83 7.056 6.561 7.639 45 HG2 LYS 83 HG2 LYS 83 5.358 5.003 6.794 46 HG3 LYS 83 HG3 LYS 83 6.110 5.041 5.183 47 HD2 LYS 83 HD2 LYS 83 8.152 4.050 6.030 48 HD3 LYS 83 HD3 LYS 83 7.620 4.227 7.709 49 HE2 LYS 83 HE2 LYS 83 5.832 2.619 7.416 50 HE3 LYS 83 HE3 LYS 83 6.152 2.493 5.681 51 HZ1 LYS 83 HZ1 LYS 83 8.103 1.669 7.807 52 HZ2 LYS 83 HZ2 LYS 83 7.170 0.649 6.938 53 HZ3 LYS 83 HZ3 LYS 83 8.329 1.525 6.194 54 H GLN 84 H GLN 84 4.477 8.873 7.906 55 HA GLN 84 HA GLN 84 6.336 11.138 8.446 56 HB2 GLN 84 HB2 GLN 84 3.906 11.572 8.109 57 HB3 GLN 84 HB3 GLN 84 3.518 10.480 9.432 58 HG2 GLN 84 HG2 GLN 84 4.718 11.991 11.016 59 HG3 GLN 84 HG3 GLN 84 5.131 13.068 9.678 60 HE21 GLN 84 HE22 GLN 84 3.341 14.369 8.675 61 HE22 GLN 84 HE21 GLN 84 1.835 14.519 9.574 62 H TYR 85 H TYR 85 7.272 11.360 10.472 63 HA TYR 85 HA TYR 85 6.943 9.189 12.497 64 HB2 TYR 85 HB2 TYR 85 9.604 10.298 11.510 65 HB3 TYR 85 HB3 TYR 85 9.398 9.211 12.860 66 HD1 TYR 85 HD1 TYR 85 9.113 9.473 9.137 67 HD2 TYR 85 HD2 TYR 85 9.355 6.860 12.559 68 HE1 TYR 85 HE1 TYR 85 9.608 7.548 7.643 69 HE2 TYR 85 HE2 TYR 85 9.883 4.941 11.074 70 HH TYR 85 HH TYR 85 10.330 4.280 8.922 71 H LYS 86 H LYS 86 7.359 9.875 14.613 72 HA LYS 86 HA LYS 86 8.025 12.741 15.123 73 HB2 LYS 86 HB2 LYS 86 5.569 12.421 15.316 74 HB3 LYS 86 HB3 LYS 86 5.831 11.108 16.478 75 HG2 LYS 86 HG2 LYS 86 6.778 12.637 18.111 76 HG3 LYS 86 HG3 LYS 86 6.768 13.970 16.945 77 HD2 LYS 86 HD2 LYS 86 4.290 13.866 16.843 78 HD3 LYS 86 HD3 LYS 86 4.301 12.525 18.010 79 HE2 LYS 86 HE2 LYS 86 5.406 13.998 19.686 80 HE3 LYS 86 HE3 LYS 86 5.398 15.329 18.527 81 HZ1 LYS 86 HZ1 LYS 86 2.950 15.241 18.540 82 HZ2 LYS 86 HZ2 LYS 86 2.959 14.015 19.624 83 HZ3 LYS 86 HZ3 LYS 86 3.509 15.487 20.052 84 H ASN 87 H ASN 87 9.326 13.062 16.898 85 HA ASN 87 HA ASN 87 10.410 10.584 18.223 86 HB2 ASN 87 HB2 ASN 87 11.912 11.655 16.637 87 HB3 ASN 87 HB3 ASN 87 11.862 13.159 17.556 88 HD21 ASN 87 HD22 ASN 87 14.277 11.790 17.030 89 HD22 ASN 87 HD21 ASN 87 14.854 11.116 18.551 90 HA PRO 88 HA PRO 88 8.361 12.622 21.813 91 HB2 PRO 88 HB2 PRO 88 9.308 9.934 22.842 92 HB3 PRO 88 HB3 PRO 88 7.814 10.836 23.259 93 HG2 PRO 88 HG2 PRO 88 7.720 8.816 21.466 94 HG3 PRO 88 HG3 PRO 88 6.845 10.344 21.131 95 HD2 PRO 88 HD2 PRO 88 9.487 9.407 20.016 96 HD3 PRO 88 HD3 PRO 88 8.139 10.265 19.206 97 H HIS 89 H HIS 89 11.658 11.307 21.517 98 HA HIS 89 HA HIS 89 12.560 12.321 24.107 99 HB2 HIS 89 HB2 HIS 89 14.195 11.289 21.752 100 HB3 HIS 89 HB3 HIS 89 14.754 11.524 23.396 101 HD1 HIS 89 HD1 HIS 89 13.616 9.822 25.292 102 HD2 HIS 89 HD2 HIS 89 12.975 9.000 21.196 103 HE1 HIS 89 HE1 HIS 89 12.761 7.397 25.169 104 HE2 HIS 89 HE2 HIS 89 12.372 6.892 22.678 105 H THR 90 H THR 90 12.293 13.752 20.935 106 HA THR 90 HA THR 90 13.887 16.133 21.845 107 HB THR 90 HB THR 90 14.594 16.436 19.564 108 HG1 THR 90 HG1 THR 90 13.957 15.001 17.977 109 HG21 THR 90 HG21 THR 90 15.910 14.771 20.923 110 HG22 THR 90 HG22 THR 90 14.927 13.471 20.200 111 HG23 THR 90 HG23 THR 90 15.975 14.478 19.175 112 H GLY 91 H GLY 91 10.864 15.072 20.465 113 HA2 GLY 91 HA2 GLY 91 8.875 16.331 20.398 114 HA3 GLY 91 HA3 GLY 91 9.792 17.836 20.433 115 H GLU 92 H GLU 92 11.424 16.081 18.160 116 HA GLU 92 HA GLU 92 10.412 17.631 15.976 117 HB2 GLU 92 HB2 GLU 92 12.529 15.534 16.390 118 HB3 GLU 92 HB3 GLU 92 11.946 15.762 14.745 119 HG2 GLU 92 HG2 GLU 92 12.396 17.985 14.653 120 HG3 GLU 92 HG3 GLU 92 12.778 18.114 16.395 121 H VAL 93 H VAL 93 9.531 17.082 14.036 122 HA VAL 93 HA VAL 93 8.387 14.385 13.583 123 HB VAL 93 HB VAL 93 7.204 17.075 12.836 124 HG11 VAL 93 HG11 VAL 93 6.023 14.270 12.566 125 HG12 VAL 93 HG12 VAL 93 5.177 15.786 12.192 126 HG13 VAL 93 HG13 VAL 93 6.565 15.296 11.220 127 HG21 VAL 93 HG21 VAL 93 5.405 16.594 14.460 128 HG22 VAL 93 HG22 VAL 93 6.304 15.151 14.994 129 HG23 VAL 93 HG23 VAL 93 6.995 16.786 15.208 130 H ILE 94 H ILE 94 8.678 13.623 11.516 131 HA ILE 94 HA ILE 94 9.733 15.324 9.359 132 HB ILE 94 HB ILE 94 11.506 13.685 8.788 133 HG12 ILE 94 HG12 ILE 94 10.953 12.470 11.519 134 HG13 ILE 94 HG13 ILE 94 10.608 11.718 9.965 135 HG21 ILE 94 HG21 ILE 94 11.955 14.893 11.539 136 HG22 ILE 94 HG22 ILE 94 13.171 14.534 10.295 137 HG23 ILE 94 HG23 ILE 94 11.971 15.795 10.008 138 HD11 ILE 94 HD11 ILE 94 12.627 10.778 10.908 139 HD12 ILE 94 HD12 ILE 94 12.993 11.664 9.413 140 HD13 ILE 94 HD13 ILE 94 13.386 12.370 11.009 141 H GLU 95 H GLU 95 9.733 14.239 7.328 142 HA GLU 95 HA GLU 95 7.965 11.869 6.997 143 HB2 GLU 95 HB2 GLU 95 7.603 14.631 5.783 144 HB3 GLU 95 HB3 GLU 95 6.990 13.186 4.973 145 HG2 GLU 95 HG2 GLU 95 5.547 12.633 6.788 146 HG3 GLU 95 HG3 GLU 95 6.279 13.846 7.838 147 H THR 96 H THR 96 8.572 10.510 5.443 148 HA THR 96 HA THR 96 10.295 11.323 3.183 149 HB THR 96 HB THR 96 12.026 10.843 4.715 150 HG1 THR 96 HG1 THR 96 12.964 9.062 3.737 151 HG21 THR 96 HG21 THR 96 12.239 8.707 5.956 152 HG22 THR 96 HG22 THR 96 10.865 9.663 6.526 153 HG23 THR 96 HG23 THR 96 10.592 8.260 5.461 154 H LYS 97 H LYS 97 10.442 9.645 1.530 155 HA LYS 97 HA LYS 97 8.047 7.859 1.398 156 HB2 LYS 97 HB2 LYS 97 10.147 8.668 -0.657 157 HB3 LYS 97 HB3 LYS 97 8.828 7.529 -0.967 158 HG2 LYS 97 HG2 LYS 97 7.152 9.248 -0.423 159 HG3 LYS 97 HG3 LYS 97 8.442 10.425 -0.106 160 HD2 LYS 97 HD2 LYS 97 9.229 10.210 -2.447 161 HD3 LYS 97 HD3 LYS 97 7.929 9.041 -2.778 162 HE2 LYS 97 HE2 LYS 97 6.233 10.761 -2.209 163 HE3 LYS 97 HE3 LYS 97 7.514 11.925 -1.845 164 HZ1 LYS 97 HZ1 LYS 97 8.220 11.793 -4.179 165 HZ2 LYS 97 HZ2 LYS 97 7.043 10.704 -4.524 166 HZ3 LYS 97 HZ3 LYS 97 6.650 12.230 -4.099 167 H GLY 98 H GLY 98 11.092 7.547 2.668 168 HA2 GLY 98 HA2 GLY 98 11.575 5.405 3.716 169 HA3 GLY 98 HA3 GLY 98 11.118 4.572 2.236 170 H GLY 99 H GLY 99 12.912 7.287 1.346 171 HA2 GLY 99 HA2 GLY 99 15.280 5.768 0.610 172 HA3 GLY 99 HA3 GLY 99 15.014 7.500 0.393 173 H ASN 100 H ASN 100 17.454 7.011 0.977 174 HA ASN 100 HA ASN 100 18.189 6.754 3.750 175 HB2 ASN 100 HB2 ASN 100 19.672 6.162 1.880 176 HB3 ASN 100 HB3 ASN 100 19.715 7.848 1.357 177 HD21 ASN 100 HD22 ASN 100 22.072 7.734 1.603 178 HD22 ASN 100 HD21 ASN 100 22.772 7.851 3.210 179 H HIS 101 H HIS 101 16.759 8.223 4.796 180 HA HIS 101 HA HIS 101 17.327 11.147 4.535 181 HB2 HIS 101 HB2 HIS 101 14.986 10.220 4.372 182 HB3 HIS 101 HB3 HIS 101 15.089 9.730 6.061 183 HD1 HIS 101 HD1 HIS 101 14.928 11.771 7.850 184 HD2 HIS 101 HD2 HIS 101 14.801 12.832 3.780 185 HE1 HIS 101 HE1 HIS 101 14.450 14.315 7.787 186 HE2 HIS 101 HE2 HIS 101 14.297 14.929 5.280 187 H LYS 102 H LYS 102 19.267 11.389 5.611 188 HA LYS 102 HA LYS 102 20.376 9.988 7.633 189 HB2 LYS 102 HB2 LYS 102 21.488 11.716 6.274 190 HB3 LYS 102 HB3 LYS 102 20.645 12.985 7.143 191 HG2 LYS 102 HG2 LYS 102 22.932 12.836 7.880 192 HG3 LYS 102 HG3 LYS 102 21.863 12.427 9.216 193 HD2 LYS 102 HD2 LYS 102 22.316 10.023 8.891 194 HD3 LYS 102 HD3 LYS 102 23.331 10.370 7.487 195 HE2 LYS 102 HE2 LYS 102 23.859 11.373 10.332 196 HE3 LYS 102 HE3 LYS 102 24.549 9.892 9.659 197 HZ1 LYS 102 HZ1 LYS 102 25.651 11.255 7.939 198 HZ2 LYS 102 HZ2 LYS 102 25.065 12.634 8.606 199 HZ3 LYS 102 HZ3 LYS 102 26.121 11.710 9.430 200 H THR 103 H THR 103 18.236 12.780 8.371 201 HA THR 103 HA THR 103 18.488 12.722 11.174 202 HB THR 103 HB THR 103 15.847 13.213 9.743 203 HG1 THR 103 HG1 THR 103 17.958 15.092 9.988 204 HG21 THR 103 HG21 THR 103 15.707 13.451 12.170 205 HG22 THR 103 HG22 THR 103 17.110 14.536 12.180 206 HG23 THR 103 HG23 THR 103 15.591 15.035 11.394 207 H LEU 104 H LEU 104 16.532 10.548 9.151 208 HA LEU 104 HA LEU 104 15.104 9.329 11.431 209 HB2 LEU 104 HB2 LEU 104 14.171 9.466 9.050 210 HB3 LEU 104 HB3 LEU 104 15.460 8.376 8.538 211 HG LEU 104 HG LEU 104 14.552 6.701 10.275 212 HD11 LEU 104 HD11 LEU 104 13.179 8.272 11.619 213 HD12 LEU 104 HD12 LEU 104 12.156 8.582 10.193 214 HD13 LEU 104 HD13 LEU 104 12.205 6.975 10.921 215 HD21 LEU 104 HD21 LEU 104 12.806 5.891 8.814 216 HD22 LEU 104 HD22 LEU 104 12.665 7.473 8.025 217 HD23 LEU 104 HD23 LEU 104 14.146 6.503 7.833 218 H LYS 105 H LYS 105 17.879 8.535 9.253 219 HA LYS 105 HA LYS 105 18.576 6.052 10.402 220 HB2 LYS 105 HB2 LYS 105 19.521 7.299 8.321 221 HB3 LYS 105 HB3 LYS 105 20.652 8.053 9.487 222 HG2 LYS 105 HG2 LYS 105 21.436 5.807 10.167 223 HG3 LYS 105 HG3 LYS 105 20.278 5.055 9.051 224 HD2 LYS 105 HD2 LYS 105 21.422 6.142 7.128 225 HD3 LYS 105 HD3 LYS 105 22.584 6.889 8.248 226 HE2 LYS 105 HE2 LYS 105 23.306 4.642 9.011 227 HE3 LYS 105 HE3 LYS 105 22.145 3.886 7.910 228 HZ1 LYS 105 HZ1 LYS 105 24.366 3.944 6.929 229 HZ2 LYS 105 HZ2 LYS 105 23.372 4.875 6.037 230 HZ3 LYS 105 HZ3 LYS 105 24.455 5.569 7.054 231 H GLU 106 H GLU 106 19.630 9.316 11.384 232 HA GLU 106 HA GLU 106 21.185 8.526 13.595 233 HB2 GLU 106 HB2 GLU 106 19.601 11.025 12.940 234 HB3 GLU 106 HB3 GLU 106 20.301 10.843 14.551 235 HG2 GLU 106 HG2 GLU 106 22.512 10.499 13.627 236 HG3 GLU 106 HG3 GLU 106 21.876 10.636 11.966 237 H TRP 107 H TRP 107 17.663 9.207 13.488 238 HA TRP 107 HA TRP 107 17.227 8.633 16.248 239 HB2 TRP 107 HB2 TRP 107 15.298 8.390 13.912 240 HB3 TRP 107 HB3 TRP 107 14.852 8.348 15.604 241 HD1 TRP 107 HD1 TRP 107 17.347 10.979 15.474 242 HE1 TRP 107 HE1 TRP 107 16.321 13.305 15.250 243 HE3 TRP 107 HE3 TRP 107 12.581 9.652 14.073 244 HZ2 TRP 107 HZ2 TRP 107 13.838 14.451 14.495 245 HZ3 TRP 107 HZ3 TRP 107 10.884 11.424 13.671 246 HH2 TRP 107 HH2 TRP 107 11.508 13.846 13.863 247 H LYS 108 H LYS 108 17.180 6.429 13.433 248 HA LYS 108 HA LYS 108 16.341 4.052 14.886 249 HB2 LYS 108 HB2 LYS 108 18.003 4.331 12.337 250 HB3 LYS 108 HB3 LYS 108 17.290 2.809 12.944 251 HG2 LYS 108 HG2 LYS 108 15.021 3.719 12.659 252 HG3 LYS 108 HG3 LYS 108 15.654 5.271 12.196 253 HD2 LYS 108 HD2 LYS 108 15.365 4.569 10.084 254 HD3 LYS 108 HD3 LYS 108 16.902 3.731 10.308 255 HE2 LYS 108 HE2 LYS 108 15.630 1.694 11.036 256 HE3 LYS 108 HE3 LYS 108 14.106 2.574 10.788 257 HZ1 LYS 108 HZ1 LYS 108 14.687 2.741 8.401 258 HZ2 LYS 108 HZ2 LYS 108 16.093 1.935 8.637 259 HZ3 LYS 108 HZ3 LYS 108 14.670 1.172 8.855 260 H ALA 109 H ALA 109 19.535 5.467 14.252 261 HA ALA 109 HA ALA 109 21.037 3.363 15.562 262 HB1 ALA 109 HB1 ALA 109 22.002 4.901 13.899 263 HB2 ALA 109 HB2 ALA 109 21.731 6.281 14.984 264 HB3 ALA 109 HB3 ALA 109 22.877 4.998 15.439 265 H LYS 110 H LYS 110 19.695 6.457 16.698 266 HA LYS 110 HA LYS 110 20.903 6.293 19.343 267 HB2 LYS 110 HB2 LYS 110 18.845 8.133 18.085 268 HB3 LYS 110 HB3 LYS 110 19.412 8.335 19.748 269 HG2 LYS 110 HG2 LYS 110 21.678 8.724 19.044 270 HG3 LYS 110 HG3 LYS 110 21.329 8.274 17.375 271 HD2 LYS 110 HD2 LYS 110 19.681 10.197 17.270 272 HD3 LYS 110 HD3 LYS 110 20.247 10.708 18.862 273 HE2 LYS 110 HE2 LYS 110 21.952 10.477 16.318 274 HE3 LYS 110 HE3 LYS 110 21.258 11.966 16.962 275 HZ1 LYS 110 HZ1 LYS 110 22.612 11.666 18.983 276 HZ2 LYS 110 HZ2 LYS 110 23.301 10.312 18.372 277 HZ3 LYS 110 HZ3 LYS 110 23.563 11.751 17.660 278 H TRP 111 H TRP 111 17.660 5.528 18.171 279 HA TRP 111 HA TRP 111 16.887 4.632 20.930 280 HB2 TRP 111 HB2 TRP 111 15.238 6.075 18.825 281 HB3 TRP 111 HB3 TRP 111 14.590 5.395 20.307 282 HD1 TRP 111 HD1 TRP 111 15.775 6.301 22.666 283 HE1 TRP 111 HE1 TRP 111 16.589 8.638 23.323 284 HE3 TRP 111 HE3 TRP 111 16.004 8.401 18.023 285 HZ2 TRP 111 HZ2 TRP 111 17.400 11.071 21.986 286 HZ3 TRP 111 HZ3 TRP 111 16.919 10.715 17.733 287 HH2 TRP 111 HH2 TRP 111 17.597 12.049 19.701 288 H GLY 112 H GLY 112 17.404 3.387 17.861 289 HA2 GLY 112 HA2 GLY 112 17.379 1.044 17.574 290 HA3 GLY 112 HA3 GLY 112 15.948 0.881 18.578 291 HA PRO 113 HA PRO 113 14.994 1.909 13.912 292 HB2 PRO 113 HB2 PRO 113 15.191 -0.567 12.613 293 HB3 PRO 113 HB3 PRO 113 16.416 0.730 12.591 294 HG2 PRO 113 HG2 PRO 113 16.343 -1.719 14.327 295 HG3 PRO 113 HG3 PRO 113 17.740 -0.921 13.500 296 HD2 PRO 113 HD2 PRO 113 17.246 -0.608 16.144 297 HD3 PRO 113 HD3 PRO 113 17.890 0.726 15.130 298 H GLU 114 H GLU 114 14.200 -1.058 15.768 299 HA GLU 114 HA GLU 114 11.607 -1.426 14.635 300 HB2 GLU 114 HB2 GLU 114 12.804 -2.284 17.300 301 HB3 GLU 114 HB3 GLU 114 11.218 -2.807 16.716 302 HG2 GLU 114 HG2 GLU 114 12.289 -3.791 14.691 303 HG3 GLU 114 HG3 GLU 114 13.876 -3.341 15.312 304 H ALA 115 H ALA 115 12.751 0.386 17.455 305 HA ALA 115 HA ALA 115 10.160 1.245 18.422 306 HB1 ALA 115 HB1 ALA 115 12.933 2.482 18.716 307 HB2 ALA 115 HB2 ALA 115 11.501 2.938 19.657 308 HB3 ALA 115 HB3 ALA 115 12.187 1.304 19.816 309 H VAL 116 H VAL 116 12.606 2.833 16.300 310 HA VAL 116 HA VAL 116 11.037 5.147 15.754 311 HB VAL 116 HB VAL 116 13.262 3.850 14.155 312 HG11 VAL 116 HG11 VAL 116 12.022 5.349 12.663 313 HG12 VAL 116 HG12 VAL 116 12.036 6.630 13.895 314 HG13 VAL 116 HG13 VAL 116 13.551 6.110 13.126 315 HG21 VAL 116 HG21 VAL 116 13.236 6.218 16.092 316 HG22 VAL 116 HG22 VAL 116 13.901 4.637 16.477 317 HG23 VAL 116 HG23 VAL 116 14.626 5.602 15.201 318 H GLU 117 H GLU 117 11.125 1.997 13.946 319 HA GLU 117 HA GLU 117 9.222 2.942 11.976 320 HB2 GLU 117 HB2 GLU 117 10.060 0.164 12.902 321 HB3 GLU 117 HB3 GLU 117 8.779 0.403 11.719 322 HG2 GLU 117 HG2 GLU 117 11.649 1.366 11.406 323 HG3 GLU 117 HG3 GLU 117 10.947 -0.054 10.637 324 H SER 118 H SER 118 8.836 1.699 15.268 325 HA SER 118 HA SER 118 5.961 1.371 15.106 326 HB2 SER 118 HB2 SER 118 7.303 0.320 16.813 327 HB3 SER 118 HB3 SER 118 7.613 1.906 17.563 328 HG SER 118 HG SER 118 5.820 0.769 18.511 329 H TRP 119 H TRP 119 8.086 4.191 15.515 330 HA TRP 119 HA TRP 119 5.950 6.055 16.223 331 HB2 TRP 119 HB2 TRP 119 8.579 6.736 14.880 332 HB3 TRP 119 HB3 TRP 119 7.524 7.794 15.767 333 HD1 TRP 119 HD1 TRP 119 7.467 5.377 18.222 334 HE1 TRP 119 HE1 TRP 119 9.390 5.483 19.903 335 HE3 TRP 119 HE3 TRP 119 10.731 8.357 15.569 336 HZ2 TRP 119 HZ2 TRP 119 12.007 6.649 20.074 337 HZ3 TRP 119 HZ3 TRP 119 12.864 9.056 16.606 338 HH2 TRP 119 HH2 TRP 119 13.532 8.205 18.835 339 H ALA 120 H ALA 120 6.760 4.454 13.263 340 HA ALA 120 HA ALA 120 6.282 6.592 11.454 341 HB1 ALA 120 HB1 ALA 120 7.512 4.432 10.949 342 HB2 ALA 120 HB2 ALA 120 5.928 3.644 10.825 343 HB3 ALA 120 HB3 ALA 120 6.351 4.960 9.716 344 H THR 121 H THR 121 4.513 7.249 10.305 345 HA THR 121 HA THR 121 1.981 5.662 10.275 346 HB THR 121 HB THR 121 0.879 8.040 10.150 347 HG1 THR 121 HG1 THR 121 1.864 9.522 11.561 348 HG21 THR 121 HG21 THR 121 1.782 6.922 12.832 349 HG22 THR 121 HG22 THR 121 0.395 8.001 12.541 350 HG23 THR 121 HG23 THR 121 0.379 6.361 11.894 351 H LEU 122 H LEU 122 1.448 5.135 8.381 352 HA LEU 122 HA LEU 122 2.564 6.288 5.956 353 HB2 LEU 122 HB2 LEU 122 0.420 4.247 6.643 354 HB3 LEU 122 HB3 LEU 122 0.753 4.702 4.967 355 HG LEU 122 HG LEU 122 2.930 3.655 6.826 356 HD11 LEU 122 HD11 LEU 122 2.617 1.458 5.737 357 HD12 LEU 122 HD12 LEU 122 1.168 1.943 6.631 358 HD13 LEU 122 HD13 LEU 122 1.200 2.087 4.860 359 HD21 LEU 122 HD21 LEU 122 2.682 3.757 3.777 360 HD22 LEU 122 HD22 LEU 122 3.678 4.858 4.746 361 HD23 LEU 122 HD23 LEU 122 4.072 3.133 4.691 362 H LEU 123 H LEU 123 1.884 8.056 4.938 363 HA LEU 123 HA LEU 123 -0.681 9.335 5.673 364 HB2 LEU 123 HB2 LEU 123 1.473 10.246 3.727 365 HB3 LEU 123 HB3 LEU 123 0.128 11.199 4.337 366 HG LEU 123 HG LEU 123 2.574 10.262 5.889 367 HD11 LEU 123 HD11 LEU 123 1.425 13.018 5.306 368 HD12 LEU 123 HD12 LEU 123 2.928 12.657 6.182 369 HD13 LEU 123 HD13 LEU 123 2.797 12.279 4.459 370 HD21 LEU 123 HD21 LEU 123 0.046 11.618 6.934 371 HD22 LEU 123 HD22 LEU 123 0.698 10.043 7.448 372 HD23 LEU 123 HD23 LEU 123 1.571 11.528 7.830 373 H GLY 124 H GLY 124 -2.100 10.210 3.944 374 HA2 GLY 124 HA2 GLY 124 -2.098 9.274 1.249 375 HA3 GLY 124 HA3 GLY 124 -3.148 8.235 2.209 376 H HIS 125 H HIS 125 -4.464 9.361 0.329 377 HA HIS 125 HA HIS 125 -6.203 11.393 1.566 378 HB2 HIS 125 HB2 HIS 125 -4.559 12.664 0.417 379 HB3 HIS 125 HB3 HIS 125 -4.904 11.847 -1.116 380 HD1 HIS 125 HD1 HIS 125 -8.235 12.251 -0.141 381 HD2 HIS 125 HD2 HIS 125 -5.126 14.966 -1.010 382 HE1 HIS 125 HE1 HIS 125 -9.379 14.498 -0.777 383 HE2 HIS 125 HE2 HIS 125 -7.464 16.147 -1.305 Start of MODEL 18 1 H ALA 79 H1 ALA 79 4.734 0.474 0.599 2 HA ALA 79 HA ALA 79 5.266 0.411 -2.303 3 HB1 ALA 79 HB1 ALA 79 2.864 1.597 -0.807 4 HB2 ALA 79 HB2 ALA 79 3.124 1.618 -2.567 5 HB3 ALA 79 HB3 ALA 79 2.854 0.086 -1.741 6 H ARG 80 H ARG 80 4.910 2.853 -3.123 7 HA ARG 80 HA ARG 80 7.158 4.359 -1.989 8 HB2 ARG 80 HB2 ARG 80 5.370 4.967 -4.345 9 HB3 ARG 80 HB3 ARG 80 6.850 5.821 -3.865 10 HG2 ARG 80 HG2 ARG 80 8.131 3.707 -4.009 11 HG3 ARG 80 HG3 ARG 80 6.711 2.878 -4.653 12 HD2 ARG 80 HD2 ARG 80 8.077 5.291 -5.928 13 HD3 ARG 80 HD3 ARG 80 8.327 3.600 -6.405 14 HE ARG 80 HE ARG 80 5.565 4.017 -6.568 15 HH11 ARG 80 HH12 ARG 80 8.381 5.291 -8.213 16 HH12 ARG 80 HH11 ARG 80 7.498 5.598 -9.682 17 HH21 ARG 80 HH21 ARG 80 4.491 4.453 -8.462 18 HH22 ARG 80 HH22 ARG 80 5.342 5.144 -9.809 19 H LYS 81 H LYS 81 4.024 4.358 -0.967 20 HA LYS 81 HA LYS 81 3.304 7.028 -0.498 21 HB2 LYS 81 HB2 LYS 81 2.844 4.473 1.107 22 HB3 LYS 81 HB3 LYS 81 2.169 6.040 1.597 23 HG2 LYS 81 HG2 LYS 81 1.010 6.257 -0.578 24 HG3 LYS 81 HG3 LYS 81 1.636 4.671 -1.074 25 HD2 LYS 81 HD2 LYS 81 0.411 3.582 0.776 26 HD3 LYS 81 HD3 LYS 81 -0.093 5.155 1.393 27 HE2 LYS 81 HE2 LYS 81 -1.973 4.245 0.260 28 HE3 LYS 81 HE3 LYS 81 -1.366 5.583 -0.721 29 HZ1 LYS 81 HZ1 LYS 81 -0.849 2.690 -1.254 30 HZ2 LYS 81 HZ2 LYS 81 -1.916 3.618 -2.062 31 HZ3 LYS 81 HZ3 LYS 81 -0.323 3.925 -2.198 32 H VAL 82 H VAL 82 3.410 8.380 1.251 33 HA VAL 82 HA VAL 82 6.087 8.692 2.393 34 HB VAL 82 HB VAL 82 3.527 10.291 2.774 35 HG11 VAL 82 HG11 VAL 82 6.363 10.916 3.717 36 HG12 VAL 82 HG12 VAL 82 5.051 12.102 3.642 37 HG13 VAL 82 HG13 VAL 82 4.912 10.737 4.734 38 HG21 VAL 82 HG21 VAL 82 4.608 11.931 1.307 39 HG22 VAL 82 HG22 VAL 82 6.056 10.911 1.181 40 HG23 VAL 82 HG23 VAL 82 4.509 10.375 0.471 41 H LYS 83 H LYS 83 6.792 8.190 4.367 42 HA LYS 83 HA LYS 83 4.878 7.371 6.530 43 HB2 LYS 83 HB2 LYS 83 7.808 6.682 6.029 44 HB3 LYS 83 HB3 LYS 83 7.060 6.567 7.629 45 HG2 LYS 83 HG2 LYS 83 5.371 5.007 6.804 46 HG3 LYS 83 HG3 LYS 83 6.094 5.054 5.177 47 HD2 LYS 83 HD2 LYS 83 8.169 4.090 5.995 48 HD3 LYS 83 HD3 LYS 83 7.641 4.233 7.680 49 HE2 LYS 83 HE2 LYS 83 5.864 2.614 7.360 50 HE3 LYS 83 HE3 LYS 83 6.206 2.508 5.625 51 HZ1 LYS 83 HZ1 LYS 83 8.146 1.690 7.768 52 HZ2 LYS 83 HZ2 LYS 83 7.228 0.661 6.878 53 HZ3 LYS 83 HZ3 LYS 83 8.387 1.554 6.155 54 H GLN 84 H GLN 84 4.482 8.881 7.894 55 HA GLN 84 HA GLN 84 6.309 11.167 8.461 56 HB2 GLN 84 HB2 GLN 84 3.968 11.702 8.184 57 HB3 GLN 84 HB3 GLN 84 3.469 10.366 9.208 58 HG2 GLN 84 HG2 GLN 84 4.497 11.540 11.184 59 HG3 GLN 84 HG3 GLN 84 4.893 12.905 10.121 60 HE21 GLN 84 HE22 GLN 84 2.066 10.805 11.045 61 HE22 GLN 84 HE21 GLN 84 0.925 12.149 11.088 62 H TYR 85 H TYR 85 7.305 11.345 10.461 63 HA TYR 85 HA TYR 85 6.954 9.167 12.484 64 HB2 TYR 85 HB2 TYR 85 9.624 10.267 11.523 65 HB3 TYR 85 HB3 TYR 85 9.401 9.174 12.861 66 HD1 TYR 85 HD1 TYR 85 9.127 9.456 9.136 67 HD2 TYR 85 HD2 TYR 85 9.363 6.836 12.552 68 HE1 TYR 85 HE1 TYR 85 9.624 7.533 7.638 69 HE2 TYR 85 HE2 TYR 85 9.900 4.922 11.062 70 HH TYR 85 HH TYR 85 10.346 4.264 8.908 71 H LYS 86 H LYS 86 7.350 9.847 14.606 72 HA LYS 86 HA LYS 86 8.005 12.716 15.128 73 HB2 LYS 86 HB2 LYS 86 5.557 12.375 15.311 74 HB3 LYS 86 HB3 LYS 86 5.820 11.055 16.469 75 HG2 LYS 86 HG2 LYS 86 6.750 12.584 18.112 76 HG3 LYS 86 HG3 LYS 86 6.718 13.923 16.954 77 HD2 LYS 86 HD2 LYS 86 4.234 13.763 16.856 78 HD3 LYS 86 HD3 LYS 86 4.285 12.431 18.036 79 HE2 LYS 86 HE2 LYS 86 5.374 13.940 19.692 80 HE3 LYS 86 HE3 LYS 86 5.329 15.262 18.516 81 HZ1 LYS 86 HZ1 LYS 86 2.917 13.910 19.639 82 HZ2 LYS 86 HZ2 LYS 86 3.451 15.393 20.058 83 HZ3 LYS 86 HZ3 LYS 86 2.887 15.132 18.550 84 H ASN 87 H ASN 87 9.293 13.041 16.911 85 HA ASN 87 HA ASN 87 10.408 10.571 18.221 86 HB2 ASN 87 HB2 ASN 87 11.892 11.672 16.635 87 HB3 ASN 87 HB3 ASN 87 11.826 13.165 17.570 88 HD21 ASN 87 HD22 ASN 87 14.253 11.828 17.019 89 HD22 ASN 87 HD21 ASN 87 14.839 11.140 18.530 90 HA PRO 88 HA PRO 88 8.356 12.550 21.842 91 HB2 PRO 88 HB2 PRO 88 9.339 9.856 22.821 92 HB3 PRO 88 HB3 PRO 88 7.840 10.734 23.270 93 HG2 PRO 88 HG2 PRO 88 7.745 8.746 21.439 94 HG3 PRO 88 HG3 PRO 88 6.852 10.274 21.134 95 HD2 PRO 88 HD2 PRO 88 9.498 9.376 19.993 96 HD3 PRO 88 HD3 PRO 88 8.132 10.233 19.202 97 H HIS 89 H HIS 89 11.666 11.281 21.504 98 HA HIS 89 HA HIS 89 12.557 12.278 24.110 99 HB2 HIS 89 HB2 HIS 89 14.194 11.270 21.744 100 HB3 HIS 89 HB3 HIS 89 14.765 11.506 23.388 101 HD1 HIS 89 HD1 HIS 89 13.645 9.795 25.292 102 HD2 HIS 89 HD2 HIS 89 12.995 8.969 21.196 103 HE1 HIS 89 HE1 HIS 89 12.794 7.370 25.170 104 HE2 HIS 89 HE2 HIS 89 12.404 6.864 22.675 105 H THR 90 H THR 90 12.253 13.733 20.957 106 HA THR 90 HA THR 90 13.836 16.117 21.879 107 HB THR 90 HB THR 90 14.557 16.438 19.605 108 HG1 THR 90 HG1 THR 90 13.937 15.046 17.994 109 HG21 THR 90 HG21 THR 90 14.881 13.467 20.198 110 HG22 THR 90 HG22 THR 90 15.946 14.490 19.206 111 HG23 THR 90 HG23 THR 90 15.861 14.747 20.958 112 H GLY 91 H GLY 91 10.822 15.048 20.479 113 HA2 GLY 91 HA2 GLY 91 8.832 16.299 20.406 114 HA3 GLY 91 HA3 GLY 91 9.741 17.809 20.458 115 H GLU 92 H GLU 92 11.387 16.047 18.186 116 HA GLU 92 HA GLU 92 10.392 17.613 16.004 117 HB2 GLU 92 HB2 GLU 92 12.492 15.501 16.409 118 HB3 GLU 92 HB3 GLU 92 11.905 15.745 14.761 119 HG2 GLU 92 HG2 GLU 92 12.373 17.956 14.678 120 HG3 GLU 92 HG3 GLU 92 12.754 18.076 16.421 121 H VAL 93 H VAL 93 9.493 17.080 14.070 122 HA VAL 93 HA VAL 93 8.345 14.381 13.602 123 HB VAL 93 HB VAL 93 7.148 17.070 12.882 124 HG11 VAL 93 HG11 VAL 93 5.987 14.258 12.613 125 HG12 VAL 93 HG12 VAL 93 5.126 15.767 12.256 126 HG13 VAL 93 HG13 VAL 93 6.511 15.292 11.266 127 HG21 VAL 93 HG21 VAL 93 6.282 15.136 15.040 128 HG22 VAL 93 HG22 VAL 93 6.965 16.773 15.255 129 HG23 VAL 93 HG23 VAL 93 5.365 16.571 14.517 130 H ILE 94 H ILE 94 8.615 13.636 11.534 131 HA ILE 94 HA ILE 94 9.687 15.349 9.387 132 HB ILE 94 HB ILE 94 11.443 13.687 8.813 133 HG12 ILE 94 HG12 ILE 94 10.858 12.466 11.536 134 HG13 ILE 94 HG13 ILE 94 10.503 11.728 9.975 135 HG21 ILE 94 HG21 ILE 94 13.106 14.507 10.340 136 HG22 ILE 94 HG22 ILE 94 11.926 15.787 10.062 137 HG23 ILE 94 HG23 ILE 94 11.888 14.867 11.581 138 HD11 ILE 94 HD11 ILE 94 13.301 12.339 11.019 139 HD12 ILE 94 HD12 ILE 94 12.511 10.765 10.942 140 HD13 ILE 94 HD13 ILE 94 12.894 11.611 9.436 141 H GLU 95 H GLU 95 9.697 14.256 7.350 142 HA GLU 95 HA GLU 95 7.876 11.929 6.978 143 HB2 GLU 95 HB2 GLU 95 7.664 14.682 5.684 144 HB3 GLU 95 HB3 GLU 95 6.945 13.240 4.973 145 HG2 GLU 95 HG2 GLU 95 5.452 12.932 6.825 146 HG3 GLU 95 HG3 GLU 95 6.273 14.170 7.786 147 H THR 96 H THR 96 8.511 10.553 5.434 148 HA THR 96 HA THR 96 10.275 11.358 3.202 149 HB THR 96 HB THR 96 11.977 10.840 4.754 150 HG1 THR 96 HG1 THR 96 12.895 9.042 3.784 151 HG21 THR 96 HG21 THR 96 12.129 8.705 6.001 152 HG22 THR 96 HG22 THR 96 10.737 9.663 6.530 153 HG23 THR 96 HG23 THR 96 10.494 8.267 5.450 154 H LYS 97 H LYS 97 10.377 9.734 1.509 155 HA LYS 97 HA LYS 97 7.987 7.941 1.366 156 HB2 LYS 97 HB2 LYS 97 10.068 8.777 -0.697 157 HB3 LYS 97 HB3 LYS 97 8.761 7.631 -1.011 158 HG2 LYS 97 HG2 LYS 97 7.078 9.345 -0.402 159 HG3 LYS 97 HG3 LYS 97 8.379 10.529 -0.156 160 HD2 LYS 97 HD2 LYS 97 9.072 10.258 -2.532 161 HD3 LYS 97 HD3 LYS 97 7.752 9.093 -2.776 162 HE2 LYS 97 HE2 LYS 97 6.094 10.845 -2.150 163 HE3 LYS 97 HE3 LYS 97 7.408 12.000 -1.887 164 HZ1 LYS 97 HZ1 LYS 97 6.411 12.261 -4.097 165 HZ2 LYS 97 HZ2 LYS 97 7.968 11.805 -4.257 166 HZ3 LYS 97 HZ3 LYS 97 6.766 10.722 -4.505 167 H GLY 98 H GLY 98 11.034 7.602 2.615 168 HA2 GLY 98 HA2 GLY 98 11.502 5.445 3.633 169 HA3 GLY 98 HA3 GLY 98 11.026 4.631 2.141 170 H GLY 99 H GLY 99 12.862 7.320 1.257 171 HA2 GLY 99 HA2 GLY 99 15.232 5.782 0.543 172 HA3 GLY 99 HA3 GLY 99 14.975 7.511 0.332 173 H ASN 100 H ASN 100 17.414 6.999 0.961 174 HA ASN 100 HA ASN 100 18.062 6.726 3.758 175 HB2 ASN 100 HB2 ASN 100 19.591 6.089 1.924 176 HB3 ASN 100 HB3 ASN 100 19.700 7.776 1.416 177 HD21 ASN 100 HD22 ASN 100 22.055 7.520 1.737 178 HD22 ASN 100 HD21 ASN 100 22.690 7.648 3.371 179 H HIS 101 H HIS 101 16.633 8.232 4.742 180 HA HIS 101 HA HIS 101 17.251 11.141 4.515 181 HB2 HIS 101 HB2 HIS 101 14.908 10.217 4.401 182 HB3 HIS 101 HB3 HIS 101 15.044 9.715 6.078 183 HD1 HIS 101 HD1 HIS 101 14.826 11.720 7.894 184 HD2 HIS 101 HD2 HIS 101 14.740 12.848 3.834 185 HE1 HIS 101 HE1 HIS 101 14.290 14.251 7.860 186 HE2 HIS 101 HE2 HIS 101 14.176 14.908 5.361 187 H LYS 102 H LYS 102 19.228 11.347 5.541 188 HA LYS 102 HA LYS 102 20.386 9.930 7.523 189 HB2 LYS 102 HB2 LYS 102 21.142 12.031 6.080 190 HB3 LYS 102 HB3 LYS 102 20.804 12.938 7.536 191 HG2 LYS 102 HG2 LYS 102 22.878 10.774 7.059 192 HG3 LYS 102 HG3 LYS 102 23.128 12.469 7.455 193 HD2 LYS 102 HD2 LYS 102 22.021 11.893 9.752 194 HD3 LYS 102 HD3 LYS 102 22.256 10.201 9.266 195 HE2 LYS 102 HE2 LYS 102 24.183 10.559 10.458 196 HE3 LYS 102 HE3 LYS 102 24.744 10.914 8.820 197 HZ1 LYS 102 HZ1 LYS 102 24.402 13.316 9.350 198 HZ2 LYS 102 HZ2 LYS 102 23.876 12.920 10.863 199 HZ3 LYS 102 HZ3 LYS 102 25.435 12.635 10.422 200 H THR 103 H THR 103 18.318 12.755 8.355 201 HA THR 103 HA THR 103 18.592 12.657 11.141 202 HB THR 103 HB THR 103 16.027 13.301 9.625 203 HG1 THR 103 HG1 THR 103 16.936 15.422 9.585 204 HG21 THR 103 HG21 THR 103 15.650 14.948 11.421 205 HG22 THR 103 HG22 THR 103 15.690 13.307 12.069 206 HG23 THR 103 HG23 THR 103 17.103 14.368 12.271 207 H LEU 104 H LEU 104 16.545 10.534 9.143 208 HA LEU 104 HA LEU 104 15.146 9.313 11.432 209 HB2 LEU 104 HB2 LEU 104 14.201 9.441 9.047 210 HB3 LEU 104 HB3 LEU 104 15.480 8.338 8.543 211 HG LEU 104 HG LEU 104 14.559 6.690 10.304 212 HD11 LEU 104 HD11 LEU 104 12.213 6.986 10.939 213 HD12 LEU 104 HD12 LEU 104 13.190 8.294 11.611 214 HD13 LEU 104 HD13 LEU 104 12.172 8.574 10.172 215 HD21 LEU 104 HD21 LEU 104 12.694 7.444 8.024 216 HD22 LEU 104 HD22 LEU 104 14.169 6.461 7.857 217 HD23 LEU 104 HD23 LEU 104 12.820 5.873 8.836 218 H LYS 105 H LYS 105 17.921 8.514 9.256 219 HA LYS 105 HA LYS 105 18.613 6.017 10.389 220 HB2 LYS 105 HB2 LYS 105 19.553 7.293 8.317 221 HB3 LYS 105 HB3 LYS 105 20.675 8.039 9.492 222 HG2 LYS 105 HG2 LYS 105 21.469 5.790 10.144 223 HG3 LYS 105 HG3 LYS 105 20.333 5.053 8.989 224 HD2 LYS 105 HD2 LYS 105 21.511 6.181 7.112 225 HD3 LYS 105 HD3 LYS 105 22.571 7.005 8.258 226 HE2 LYS 105 HE2 LYS 105 23.829 5.212 7.359 227 HE3 LYS 105 HE3 LYS 105 23.448 4.778 9.026 228 HZ1 LYS 105 HZ1 LYS 105 22.012 3.752 6.616 229 HZ2 LYS 105 HZ2 LYS 105 23.114 2.915 7.474 230 HZ3 LYS 105 HZ3 LYS 105 21.688 3.301 8.158 231 H GLU 106 H GLU 106 19.728 9.271 11.359 232 HA GLU 106 HA GLU 106 21.215 8.426 13.596 233 HB2 GLU 106 HB2 GLU 106 19.805 11.008 12.888 234 HB3 GLU 106 HB3 GLU 106 20.404 10.790 14.535 235 HG2 GLU 106 HG2 GLU 106 22.636 10.207 13.667 236 HG3 GLU 106 HG3 GLU 106 22.039 10.479 12.009 237 H TRP 107 H TRP 107 17.718 9.200 13.449 238 HA TRP 107 HA TRP 107 17.226 8.665 16.211 239 HB2 TRP 107 HB2 TRP 107 15.336 8.406 13.844 240 HB3 TRP 107 HB3 TRP 107 14.859 8.360 15.534 241 HD1 TRP 107 HD1 TRP 107 17.372 11.009 15.352 242 HE1 TRP 107 HE1 TRP 107 16.327 13.322 15.136 243 HE3 TRP 107 HE3 TRP 107 12.581 9.640 14.077 244 HZ2 TRP 107 HZ2 TRP 107 13.807 14.448 14.448 245 HZ3 TRP 107 HZ3 TRP 107 10.857 11.398 13.707 246 HH2 TRP 107 HH2 TRP 107 11.471 13.822 13.886 247 H LYS 108 H LYS 108 17.212 6.427 13.428 248 HA LYS 108 HA LYS 108 16.340 4.071 14.888 249 HB2 LYS 108 HB2 LYS 108 18.031 4.330 12.353 250 HB3 LYS 108 HB3 LYS 108 17.313 2.810 12.967 251 HG2 LYS 108 HG2 LYS 108 15.049 3.715 12.660 252 HG3 LYS 108 HG3 LYS 108 15.674 5.264 12.203 253 HD2 LYS 108 HD2 LYS 108 15.396 4.556 10.087 254 HD3 LYS 108 HD3 LYS 108 16.938 3.727 10.315 255 HE2 LYS 108 HE2 LYS 108 15.669 1.689 11.055 256 HE3 LYS 108 HE3 LYS 108 14.143 2.558 10.791 257 HZ1 LYS 108 HZ1 LYS 108 14.728 2.715 8.411 258 HZ2 LYS 108 HZ2 LYS 108 16.145 1.931 8.653 259 HZ3 LYS 108 HZ3 LYS 108 14.728 1.151 8.867 260 H ALA 109 H ALA 109 19.549 5.461 14.295 261 HA ALA 109 HA ALA 109 21.009 3.348 15.632 262 HB1 ALA 109 HB1 ALA 109 22.003 4.879 13.958 263 HB2 ALA 109 HB2 ALA 109 21.760 6.251 15.061 264 HB3 ALA 109 HB3 ALA 109 22.881 4.950 15.504 265 H LYS 110 H LYS 110 19.694 6.470 16.733 266 HA LYS 110 HA LYS 110 20.883 6.319 19.390 267 HB2 LYS 110 HB2 LYS 110 18.827 8.154 18.130 268 HB3 LYS 110 HB3 LYS 110 19.410 8.359 19.787 269 HG2 LYS 110 HG2 LYS 110 21.681 8.727 19.053 270 HG3 LYS 110 HG3 LYS 110 21.292 8.288 17.392 271 HD2 LYS 110 HD2 LYS 110 19.656 10.252 17.355 272 HD3 LYS 110 HD3 LYS 110 20.348 10.747 18.918 273 HE2 LYS 110 HE2 LYS 110 22.622 10.786 17.821 274 HE3 LYS 110 HE3 LYS 110 21.857 10.376 16.280 275 HZ1 LYS 110 HZ1 LYS 110 20.478 12.523 16.730 276 HZ2 LYS 110 HZ2 LYS 110 21.666 12.920 17.788 277 HZ3 LYS 110 HZ3 LYS 110 21.997 12.674 16.183 278 H TRP 111 H TRP 111 17.637 5.576 18.195 279 HA TRP 111 HA TRP 111 16.850 4.685 20.950 280 HB2 TRP 111 HB2 TRP 111 15.212 6.119 18.821 281 HB3 TRP 111 HB3 TRP 111 14.564 5.474 20.324 282 HD1 TRP 111 HD1 TRP 111 15.827 6.394 22.644 283 HE1 TRP 111 HE1 TRP 111 16.697 8.728 23.251 284 HE3 TRP 111 HE3 TRP 111 15.952 8.440 17.970 285 HZ2 TRP 111 HZ2 TRP 111 17.534 11.115 21.860 286 HZ3 TRP 111 HZ3 TRP 111 16.884 10.735 17.631 287 HH2 TRP 111 HH2 TRP 111 17.646 12.080 19.561 288 H GLY 112 H GLY 112 17.372 3.422 17.894 289 HA2 GLY 112 HA2 GLY 112 17.352 1.075 17.627 290 HA3 GLY 112 HA3 GLY 112 15.910 0.923 18.617 291 HA PRO 113 HA PRO 113 15.006 1.918 13.939 292 HB2 PRO 113 HB2 PRO 113 15.223 -0.560 12.650 293 HB3 PRO 113 HB3 PRO 113 16.449 0.738 12.646 294 HG2 PRO 113 HG2 PRO 113 16.344 -1.698 14.388 295 HG3 PRO 113 HG3 PRO 113 17.762 -0.916 13.577 296 HD2 PRO 113 HD2 PRO 113 17.243 -0.579 16.211 297 HD3 PRO 113 HD3 PRO 113 17.890 0.747 15.192 298 H GLU 114 H GLU 114 14.192 -1.036 15.805 299 HA GLU 114 HA GLU 114 11.602 -1.413 14.661 300 HB2 GLU 114 HB2 GLU 114 12.794 -2.252 17.332 301 HB3 GLU 114 HB3 GLU 114 11.212 -2.787 16.735 302 HG2 GLU 114 HG2 GLU 114 12.306 -3.770 14.726 303 HG3 GLU 114 HG3 GLU 114 13.884 -3.311 15.363 304 H ALA 115 H ALA 115 12.744 0.422 17.468 305 HA ALA 115 HA ALA 115 10.148 1.283 18.417 306 HB1 ALA 115 HB1 ALA 115 12.168 1.351 19.824 307 HB2 ALA 115 HB2 ALA 115 12.914 2.527 18.722 308 HB3 ALA 115 HB3 ALA 115 11.476 2.981 19.655 309 H VAL 116 H VAL 116 12.604 2.840 16.291 310 HA VAL 116 HA VAL 116 11.040 5.156 15.713 311 HB VAL 116 HB VAL 116 13.287 3.852 14.152 312 HG11 VAL 116 HG11 VAL 116 12.056 5.332 12.629 313 HG12 VAL 116 HG12 VAL 116 12.044 6.625 13.850 314 HG13 VAL 116 HG13 VAL 116 13.570 6.109 13.107 315 HG21 VAL 116 HG21 VAL 116 13.907 4.663 16.465 316 HG22 VAL 116 HG22 VAL 116 14.629 5.636 15.191 317 HG23 VAL 116 HG23 VAL 116 13.223 6.230 16.070 318 H GLU 117 H GLU 117 11.155 1.995 13.906 319 HA GLU 117 HA GLU 117 9.237 2.923 11.941 320 HB2 GLU 117 HB2 GLU 117 10.089 0.152 12.885 321 HB3 GLU 117 HB3 GLU 117 8.804 0.380 11.704 322 HG2 GLU 117 HG2 GLU 117 11.673 1.332 11.374 323 HG3 GLU 117 HG3 GLU 117 10.956 -0.077 10.604 324 H SER 118 H SER 118 8.884 1.702 15.241 325 HA SER 118 HA SER 118 5.981 1.387 15.111 326 HB2 SER 118 HB2 SER 118 7.639 1.897 17.580 327 HB3 SER 118 HB3 SER 118 5.966 1.344 17.461 328 HG SER 118 HG SER 118 8.282 -0.042 16.544 329 H TRP 119 H TRP 119 8.121 4.187 15.427 330 HA TRP 119 HA TRP 119 5.979 6.037 16.188 331 HB2 TRP 119 HB2 TRP 119 8.605 6.739 14.854 332 HB3 TRP 119 HB3 TRP 119 7.533 7.788 15.732 333 HD1 TRP 119 HD1 TRP 119 7.481 5.367 18.190 334 HE1 TRP 119 HE1 TRP 119 9.392 5.487 19.879 335 HE3 TRP 119 HE3 TRP 119 10.740 8.357 15.544 336 HZ2 TRP 119 HZ2 TRP 119 12.000 6.682 20.064 337 HZ3 TRP 119 HZ3 TRP 119 12.869 9.069 16.585 338 HH2 TRP 119 HH2 TRP 119 13.526 8.227 18.820 339 H ALA 120 H ALA 120 6.771 4.444 13.211 340 HA ALA 120 HA ALA 120 6.290 6.582 11.409 341 HB1 ALA 120 HB1 ALA 120 7.501 4.422 10.894 342 HB2 ALA 120 HB2 ALA 120 5.913 3.631 10.806 343 HB3 ALA 120 HB3 ALA 120 6.322 4.937 9.678 344 H THR 121 H THR 121 4.546 7.214 10.222 345 HA THR 121 HA THR 121 1.961 5.731 10.298 346 HB THR 121 HB THR 121 0.901 8.123 10.214 347 HG1 THR 121 HG1 THR 121 3.264 8.655 11.703 348 HG21 THR 121 HG21 THR 121 1.940 7.058 12.862 349 HG22 THR 121 HG22 THR 121 0.607 8.212 12.636 350 HG23 THR 121 HG23 THR 121 0.446 6.556 12.031 351 H LEU 122 H LEU 122 1.423 5.180 8.404 352 HA LEU 122 HA LEU 122 2.551 6.314 5.964 353 HB2 LEU 122 HB2 LEU 122 0.464 4.224 6.692 354 HB3 LEU 122 HB3 LEU 122 0.748 4.665 5.004 355 HG LEU 122 HG LEU 122 2.993 3.710 6.838 356 HD11 LEU 122 HD11 LEU 122 2.716 1.488 5.760 357 HD12 LEU 122 HD12 LEU 122 1.283 1.938 6.691 358 HD13 LEU 122 HD13 LEU 122 1.262 2.076 4.923 359 HD21 LEU 122 HD21 LEU 122 2.684 3.794 3.788 360 HD22 LEU 122 HD22 LEU 122 3.681 4.906 4.737 361 HD23 LEU 122 HD23 LEU 122 4.098 3.185 4.667 362 H LEU 123 H LEU 123 1.829 8.079 4.934 363 HA LEU 123 HA LEU 123 -0.696 9.345 5.761 364 HB2 LEU 123 HB2 LEU 123 1.410 10.279 3.779 365 HB3 LEU 123 HB3 LEU 123 0.086 11.236 4.431 366 HG LEU 123 HG LEU 123 2.544 10.235 5.923 367 HD11 LEU 123 HD11 LEU 123 2.935 12.614 6.266 368 HD12 LEU 123 HD12 LEU 123 2.729 12.294 4.537 369 HD13 LEU 123 HD13 LEU 123 1.407 13.024 5.465 370 HD21 LEU 123 HD21 LEU 123 0.033 11.562 7.049 371 HD22 LEU 123 HD22 LEU 123 0.716 9.979 7.513 372 HD23 LEU 123 HD23 LEU 123 1.580 11.468 7.907 373 H GLY 124 H GLY 124 -1.457 7.072 4.694 374 HA2 GLY 124 HA2 GLY 124 -2.000 7.245 1.800 375 HA3 GLY 124 HA3 GLY 124 -2.384 5.907 2.886 376 H HIS 125 H HIS 125 -3.645 8.489 4.468 377 HA HIS 125 HA HIS 125 -6.168 8.795 2.980 378 HB2 HIS 125 HB2 HIS 125 -6.465 6.778 4.194 379 HB3 HIS 125 HB3 HIS 125 -6.090 7.566 5.735 380 HD1 HIS 125 HD1 HIS 125 -8.131 10.115 4.487 381 HD2 HIS 125 HD2 HIS 125 -8.829 6.071 5.462 382 HE1 HIS 125 HE1 HIS 125 -10.683 9.893 4.908 383 HE2 HIS 125 HE2 HIS 125 -11.090 7.418 5.511 Start of MODEL 19 1 H ALA 79 H1 ALA 79 2.078 0.805 -0.816 2 HA ALA 79 HA ALA 79 3.267 1.083 -3.507 3 HB1 ALA 79 HB1 ALA 79 0.821 1.554 -3.543 4 HB2 ALA 79 HB2 ALA 79 1.031 2.754 -2.249 5 HB3 ALA 79 HB3 ALA 79 1.767 3.018 -3.838 6 H ARG 80 H ARG 80 4.125 3.410 -3.799 7 HA ARG 80 HA ARG 80 6.189 3.878 -1.783 8 HB2 ARG 80 HB2 ARG 80 5.639 5.252 -4.418 9 HB3 ARG 80 HB3 ARG 80 7.053 5.471 -3.359 10 HG2 ARG 80 HG2 ARG 80 7.555 3.056 -3.504 11 HG3 ARG 80 HG3 ARG 80 6.242 2.850 -4.676 12 HD2 ARG 80 HD2 ARG 80 7.337 4.450 -6.209 13 HD3 ARG 80 HD3 ARG 80 8.658 4.673 -5.041 14 HE ARG 80 HE ARG 80 8.437 1.897 -5.571 15 HH11 ARG 80 HH21 ARG 80 9.382 4.757 -7.362 16 HH12 ARG 80 HH22 ARG 80 10.453 3.862 -8.406 17 HH21 ARG 80 HH11 ARG 80 9.803 0.811 -6.953 18 HH22 ARG 80 HH12 ARG 80 10.675 1.681 -8.176 19 H LYS 81 H LYS 81 3.706 4.407 -0.616 20 HA LYS 81 HA LYS 81 3.036 7.247 -0.479 21 HB2 LYS 81 HB2 LYS 81 2.355 4.774 1.172 22 HB3 LYS 81 HB3 LYS 81 1.884 6.399 1.712 23 HG2 LYS 81 HG2 LYS 81 0.640 6.785 -0.367 24 HG3 LYS 81 HG3 LYS 81 1.128 5.194 -0.984 25 HD2 LYS 81 HD2 LYS 81 -0.065 4.089 0.880 26 HD3 LYS 81 HD3 LYS 81 -0.538 5.673 1.530 27 HE2 LYS 81 HE2 LYS 81 -1.746 6.177 -0.587 28 HE3 LYS 81 HE3 LYS 81 -1.281 4.608 -1.239 29 HZ1 LYS 81 HZ1 LYS 81 -2.569 3.550 0.557 30 HZ2 LYS 81 HZ2 LYS 81 -2.999 5.006 1.169 31 HZ3 LYS 81 HZ3 LYS 81 -3.531 4.544 -0.302 32 H VAL 82 H VAL 82 3.279 8.610 1.245 33 HA VAL 82 HA VAL 82 5.978 8.776 2.354 34 HB VAL 82 HB VAL 82 3.468 10.458 2.752 35 HG11 VAL 82 HG11 VAL 82 5.020 12.218 3.649 36 HG12 VAL 82 HG12 VAL 82 4.830 10.843 4.729 37 HG13 VAL 82 HG13 VAL 82 6.307 11.004 3.736 38 HG21 VAL 82 HG21 VAL 82 4.623 12.079 1.301 39 HG22 VAL 82 HG22 VAL 82 6.021 11.002 1.177 40 HG23 VAL 82 HG23 VAL 82 4.464 10.532 0.459 41 H LYS 83 H LYS 83 6.672 8.364 4.365 42 HA LYS 83 HA LYS 83 4.732 7.546 6.509 43 HB2 LYS 83 HB2 LYS 83 7.612 6.707 5.978 44 HB3 LYS 83 HB3 LYS 83 6.869 6.588 7.584 45 HG2 LYS 83 HG2 LYS 83 5.089 5.151 6.725 46 HG3 LYS 83 HG3 LYS 83 5.784 5.225 5.089 47 HD2 LYS 83 HD2 LYS 83 7.785 4.075 5.796 48 HD3 LYS 83 HD3 LYS 83 7.360 4.229 7.510 49 HE2 LYS 83 HE2 LYS 83 5.429 2.767 7.239 50 HE3 LYS 83 HE3 LYS 83 5.710 2.652 5.490 51 HZ1 LYS 83 HZ1 LYS 83 6.607 0.712 6.662 52 HZ2 LYS 83 HZ2 LYS 83 7.827 1.530 5.956 53 HZ3 LYS 83 HZ3 LYS 83 7.595 1.639 7.574 54 H GLN 84 H GLN 84 4.439 9.015 7.957 55 HA GLN 84 HA GLN 84 6.390 11.197 8.504 56 HB2 GLN 84 HB2 GLN 84 3.951 11.681 8.259 57 HB3 GLN 84 HB3 GLN 84 3.608 10.603 9.604 58 HG2 GLN 84 HG2 GLN 84 4.916 12.100 11.113 59 HG3 GLN 84 HG3 GLN 84 5.289 13.154 9.746 60 HE21 GLN 84 HE22 GLN 84 3.491 14.501 8.823 61 HE22 GLN 84 HE21 GLN 84 2.036 14.695 9.788 62 H TYR 85 H TYR 85 7.383 11.356 10.511 63 HA TYR 85 HA TYR 85 7.054 9.147 12.503 64 HB2 TYR 85 HB2 TYR 85 9.690 10.243 11.445 65 HB3 TYR 85 HB3 TYR 85 9.532 9.207 12.835 66 HD1 TYR 85 HD2 TYR 85 9.110 9.313 9.116 67 HD2 TYR 85 HD1 TYR 85 9.511 6.852 12.641 68 HE1 TYR 85 HE2 TYR 85 9.515 7.327 7.688 69 HE2 TYR 85 HE1 TYR 85 9.948 4.873 11.208 70 HH TYR 85 HH TYR 85 10.020 5.056 7.632 71 H LYS 86 H LYS 86 7.373 9.834 14.637 72 HA LYS 86 HA LYS 86 8.049 12.705 15.124 73 HB2 LYS 86 HB2 LYS 86 5.601 12.369 15.263 74 HB3 LYS 86 HB3 LYS 86 5.845 11.078 16.468 75 HG2 LYS 86 HG2 LYS 86 6.771 12.682 18.066 76 HG3 LYS 86 HG3 LYS 86 6.686 13.980 16.863 77 HD2 LYS 86 HD2 LYS 86 4.206 13.732 16.784 78 HD3 LYS 86 HD3 LYS 86 4.309 12.442 18.004 79 HE2 LYS 86 HE2 LYS 86 5.345 14.041 19.604 80 HE3 LYS 86 HE3 LYS 86 5.252 15.323 18.388 81 HZ1 LYS 86 HZ1 LYS 86 2.810 15.099 18.436 82 HZ2 LYS 86 HZ2 LYS 86 2.894 13.914 19.558 83 HZ3 LYS 86 HZ3 LYS 86 3.364 15.430 19.930 84 H ASN 87 H ASN 87 9.394 13.066 16.799 85 HA ASN 87 HA ASN 87 10.441 10.690 18.302 86 HB2 ASN 87 HB2 ASN 87 11.969 11.653 16.647 87 HB3 ASN 87 HB3 ASN 87 11.948 13.192 17.507 88 HD21 ASN 87 HD22 ASN 87 14.364 12.094 17.181 89 HD22 ASN 87 HD21 ASN 87 14.914 11.317 18.661 90 HA PRO 88 HA PRO 88 8.369 13.324 21.442 91 HB2 PRO 88 HB2 PRO 88 8.026 11.347 23.372 92 HB3 PRO 88 HB3 PRO 88 6.913 11.690 22.017 93 HG2 PRO 88 HG2 PRO 88 9.099 9.601 22.153 94 HG3 PRO 88 HG3 PRO 88 7.410 9.406 21.583 95 HD2 PRO 88 HD2 PRO 88 9.430 9.749 19.842 96 HD3 PRO 88 HD3 PRO 88 7.864 10.578 19.557 97 H HIS 89 H HIS 89 11.426 11.690 21.620 98 HA HIS 89 HA HIS 89 12.304 12.660 24.193 99 HB2 HIS 89 HB2 HIS 89 13.992 12.068 21.720 100 HB3 HIS 89 HB3 HIS 89 14.555 12.164 23.387 101 HD1 HIS 89 HD1 HIS 89 13.040 9.740 20.959 102 HD2 HIS 89 HD2 HIS 89 13.578 10.196 25.127 103 HE1 HIS 89 HE1 HIS 89 12.575 7.416 22.031 104 HE2 HIS 89 HE2 HIS 89 12.917 7.715 24.565 105 H THR 90 H THR 90 12.119 14.223 21.032 106 HA THR 90 HA THR 90 13.188 16.771 22.208 107 HB THR 90 HB THR 90 14.036 17.306 19.996 108 HG1 THR 90 HG1 THR 90 13.838 15.923 18.327 109 HG21 THR 90 HG21 THR 90 14.844 14.435 20.633 110 HG22 THR 90 HG22 THR 90 15.792 15.645 19.740 111 HG23 THR 90 HG23 THR 90 15.492 15.871 21.470 112 H GLY 91 H GLY 91 10.513 15.312 20.529 113 HA2 GLY 91 HA2 GLY 91 8.364 16.292 20.262 114 HA3 GLY 91 HA3 GLY 91 9.062 17.909 20.368 115 H GLU 92 H GLU 92 11.111 16.223 18.334 116 HA GLU 92 HA GLU 92 10.350 17.630 15.988 117 HB2 GLU 92 HB2 GLU 92 12.293 15.452 16.714 118 HB3 GLU 92 HB3 GLU 92 11.880 15.594 15.020 119 HG2 GLU 92 HG2 GLU 92 12.569 17.703 14.749 120 HG3 GLU 92 HG3 GLU 92 12.581 18.094 16.491 121 H VAL 93 H VAL 93 9.565 17.062 14.035 122 HA VAL 93 HA VAL 93 8.417 14.372 13.560 123 HB VAL 93 HB VAL 93 7.257 17.044 12.741 124 HG11 VAL 93 HG11 VAL 93 6.661 15.237 11.144 125 HG12 VAL 93 HG12 VAL 93 6.107 14.221 12.501 126 HG13 VAL 93 HG13 VAL 93 5.242 15.717 12.077 127 HG21 VAL 93 HG21 VAL 93 5.401 16.572 14.319 128 HG22 VAL 93 HG22 VAL 93 6.305 15.153 14.903 129 HG23 VAL 93 HG23 VAL 93 6.973 16.798 15.111 130 H ILE 94 H ILE 94 8.768 13.597 11.513 131 HA ILE 94 HA ILE 94 9.858 15.302 9.368 132 HB ILE 94 HB ILE 94 11.579 13.622 8.774 133 HG12 ILE 94 HG12 ILE 94 10.960 12.360 11.466 134 HG13 ILE 94 HG13 ILE 94 10.636 11.654 9.886 135 HG21 ILE 94 HG21 ILE 94 12.058 14.762 11.547 136 HG22 ILE 94 HG22 ILE 94 13.266 14.388 10.301 137 HG23 ILE 94 HG23 ILE 94 12.112 15.691 10.034 138 HD11 ILE 94 HD11 ILE 94 12.600 10.640 10.854 139 HD12 ILE 94 HD12 ILE 94 13.043 11.548 9.399 140 HD13 ILE 94 HD13 ILE 94 13.402 12.202 11.028 141 H GLU 95 H GLU 95 9.823 14.225 7.327 142 HA GLU 95 HA GLU 95 7.972 11.921 6.980 143 HB2 GLU 95 HB2 GLU 95 7.663 14.708 5.818 144 HB3 GLU 95 HB3 GLU 95 6.985 13.289 5.000 145 HG2 GLU 95 HG2 GLU 95 5.595 12.740 6.881 146 HG3 GLU 95 HG3 GLU 95 6.370 13.964 7.888 147 H THR 96 H THR 96 8.527 10.562 5.409 148 HA THR 96 HA THR 96 10.236 11.350 3.134 149 HB THR 96 HB THR 96 11.969 10.832 4.653 150 HG1 THR 96 HG1 THR 96 12.881 9.073 3.645 151 HG21 THR 96 HG21 THR 96 12.150 8.658 5.864 152 HG22 THR 96 HG22 THR 96 10.836 9.669 6.475 153 HG23 THR 96 HG23 THR 96 10.473 8.285 5.412 154 H LYS 97 H LYS 97 10.319 9.670 1.466 155 HA LYS 97 HA LYS 97 7.897 7.914 1.402 156 HB2 LYS 97 HB2 LYS 97 9.940 8.691 -0.724 157 HB3 LYS 97 HB3 LYS 97 8.610 7.548 -0.986 158 HG2 LYS 97 HG2 LYS 97 6.966 9.283 -0.344 159 HG3 LYS 97 HG3 LYS 97 8.270 10.470 -0.178 160 HD2 LYS 97 HD2 LYS 97 7.531 8.984 -2.745 161 HD3 LYS 97 HD3 LYS 97 7.029 10.627 -2.326 162 HE2 LYS 97 HE2 LYS 97 9.435 11.318 -2.219 163 HE3 LYS 97 HE3 LYS 97 9.912 9.693 -2.720 164 HZ1 LYS 97 HZ1 LYS 97 8.239 11.549 -4.342 165 HZ2 LYS 97 HZ2 LYS 97 9.812 11.214 -4.618 166 HZ3 LYS 97 HZ3 LYS 97 8.688 10.048 -4.809 167 H GLY 98 H GLY 98 10.963 7.574 2.598 168 HA2 GLY 98 HA2 GLY 98 11.433 5.415 3.639 169 HA3 GLY 98 HA3 GLY 98 10.964 4.598 2.153 170 H GLY 99 H GLY 99 12.786 7.322 1.304 171 HA2 GLY 99 HA2 GLY 99 15.121 5.773 0.518 172 HA3 GLY 99 HA3 GLY 99 14.873 7.503 0.310 173 H ASN 100 H ASN 100 17.317 6.985 0.871 174 HA ASN 100 HA ASN 100 18.079 6.718 3.634 175 HB2 ASN 100 HB2 ASN 100 19.535 6.118 1.728 176 HB3 ASN 100 HB3 ASN 100 19.602 7.812 1.235 177 HD21 ASN 100 HD22 ASN 100 21.955 7.664 1.448 178 HD22 ASN 100 HD21 ASN 100 22.675 7.744 3.049 179 H HIS 101 H HIS 101 16.689 8.192 4.703 180 HA HIS 101 HA HIS 101 17.283 11.113 4.449 181 HB2 HIS 101 HB2 HIS 101 14.940 10.207 4.285 182 HB3 HIS 101 HB3 HIS 101 15.041 9.711 5.975 183 HD1 HIS 101 HD1 HIS 101 14.934 11.761 7.778 184 HD2 HIS 101 HD2 HIS 101 14.732 12.822 3.705 185 HE1 HIS 101 HE1 HIS 101 14.448 14.304 7.723 186 HE2 HIS 101 HE2 HIS 101 14.257 14.915 5.219 187 H LYS 102 H LYS 102 19.229 11.330 5.535 188 HA LYS 102 HA LYS 102 20.321 9.918 7.562 189 HB2 LYS 102 HB2 LYS 102 21.450 11.644 6.220 190 HB3 LYS 102 HB3 LYS 102 20.622 12.919 7.104 191 HG2 LYS 102 HG2 LYS 102 22.900 12.729 7.844 192 HG3 LYS 102 HG3 LYS 102 21.822 12.311 9.172 193 HD2 LYS 102 HD2 LYS 102 22.258 9.906 8.805 194 HD3 LYS 102 HD3 LYS 102 23.280 10.272 7.407 195 HE2 LYS 102 HE2 LYS 102 23.821 11.223 10.267 196 HE3 LYS 102 HE3 LYS 102 24.491 9.742 9.573 197 HZ1 LYS 102 HZ1 LYS 102 25.038 12.497 8.563 198 HZ2 LYS 102 HZ2 LYS 102 26.083 11.539 9.370 199 HZ3 LYS 102 HZ3 LYS 102 25.603 11.122 7.868 200 H THR 103 H THR 103 18.198 12.724 8.314 201 HA THR 103 HA THR 103 18.440 12.657 11.112 202 HB THR 103 HB THR 103 15.792 13.154 9.696 203 HG1 THR 103 HG1 THR 103 17.901 15.035 9.909 204 HG21 THR 103 HG21 THR 103 17.092 14.487 12.104 205 HG22 THR 103 HG22 THR 103 15.574 14.998 11.336 206 HG23 THR 103 HG23 THR 103 15.675 13.413 12.118 207 H LEU 104 H LEU 104 16.497 10.475 9.078 208 HA LEU 104 HA LEU 104 15.031 9.279 11.335 209 HB2 LEU 104 HB2 LEU 104 14.102 9.371 8.994 210 HB3 LEU 104 HB3 LEU 104 15.442 8.375 8.432 211 HG LEU 104 HG LEU 104 14.660 6.518 9.911 212 HD11 LEU 104 HD11 LEU 104 12.232 8.314 10.369 213 HD12 LEU 104 HD12 LEU 104 12.386 6.609 10.834 214 HD13 LEU 104 HD13 LEU 104 13.408 7.814 11.618 215 HD21 LEU 104 HD21 LEU 104 13.978 6.662 7.529 216 HD22 LEU 104 HD22 LEU 104 12.741 5.896 8.541 217 HD23 LEU 104 HD23 LEU 104 12.532 7.580 8.016 218 H LYS 105 H LYS 105 17.831 8.433 9.218 219 HA LYS 105 HA LYS 105 18.515 5.975 10.426 220 HB2 LYS 105 HB2 LYS 105 19.472 7.194 8.314 221 HB3 LYS 105 HB3 LYS 105 20.608 7.950 9.476 222 HG2 LYS 105 HG2 LYS 105 21.356 5.697 10.184 223 HG3 LYS 105 HG3 LYS 105 20.189 4.951 9.073 224 HD2 LYS 105 HD2 LYS 105 21.353 6.000 7.144 225 HD3 LYS 105 HD3 LYS 105 22.523 6.743 8.257 226 HE2 LYS 105 HE2 LYS 105 23.207 4.476 9.045 227 HE3 LYS 105 HE3 LYS 105 22.037 3.742 7.942 228 HZ1 LYS 105 HZ1 LYS 105 24.271 3.769 6.978 229 HZ2 LYS 105 HZ2 LYS 105 23.290 4.711 6.073 230 HZ3 LYS 105 HZ3 LYS 105 24.375 5.389 7.099 231 H GLU 106 H GLU 106 19.575 9.258 11.332 232 HA GLU 106 HA GLU 106 21.141 8.531 13.553 233 HB2 GLU 106 HB2 GLU 106 19.530 11.000 12.855 234 HB3 GLU 106 HB3 GLU 106 20.236 10.857 14.468 235 HG2 GLU 106 HG2 GLU 106 22.453 10.501 13.533 236 HG3 GLU 106 HG3 GLU 106 21.800 10.619 11.877 237 H TRP 107 H TRP 107 17.609 9.181 13.453 238 HA TRP 107 HA TRP 107 17.187 8.656 16.227 239 HB2 TRP 107 HB2 TRP 107 15.255 8.368 13.901 240 HB3 TRP 107 HB3 TRP 107 14.811 8.333 15.592 241 HD1 TRP 107 HD1 TRP 107 17.291 10.993 15.398 242 HE1 TRP 107 HE1 TRP 107 16.245 13.304 15.157 243 HE3 TRP 107 HE3 TRP 107 12.533 9.602 14.067 244 HZ2 TRP 107 HZ2 TRP 107 13.737 14.420 14.408 245 HZ3 TRP 107 HZ3 TRP 107 10.811 11.351 13.648 246 HH2 TRP 107 HH2 TRP 107 11.412 13.771 13.801 247 H LYS 108 H LYS 108 17.150 6.404 13.449 248 HA LYS 108 HA LYS 108 16.345 4.044 14.947 249 HB2 LYS 108 HB2 LYS 108 18.017 4.279 12.400 250 HB3 LYS 108 HB3 LYS 108 17.320 2.771 13.043 251 HG2 LYS 108 HG2 LYS 108 15.033 3.767 12.805 252 HG3 LYS 108 HG3 LYS 108 15.733 5.204 12.109 253 HD2 LYS 108 HD2 LYS 108 15.441 4.249 10.101 254 HD3 LYS 108 HD3 LYS 108 16.843 3.239 10.487 255 HE2 LYS 108 HE2 LYS 108 15.272 1.594 11.571 256 HE3 LYS 108 HE3 LYS 108 13.907 2.602 11.069 257 HZ1 LYS 108 HZ1 LYS 108 14.230 0.798 9.525 258 HZ2 LYS 108 HZ2 LYS 108 14.577 2.192 8.732 259 HZ3 LYS 108 HZ3 LYS 108 15.794 1.209 9.220 260 H ALA 109 H ALA 109 19.524 5.483 14.291 261 HA ALA 109 HA ALA 109 21.049 3.430 15.640 262 HB1 ALA 109 HB1 ALA 109 21.990 4.949 13.951 263 HB2 ALA 109 HB2 ALA 109 21.710 6.345 15.014 264 HB3 ALA 109 HB3 ALA 109 22.874 5.087 15.486 265 H LYS 110 H LYS 110 19.667 6.525 16.722 266 HA LYS 110 HA LYS 110 20.885 6.429 19.372 267 HB2 LYS 110 HB2 LYS 110 18.831 8.232 18.071 268 HB3 LYS 110 HB3 LYS 110 19.402 8.473 19.730 269 HG2 LYS 110 HG2 LYS 110 21.667 8.839 19.009 270 HG3 LYS 110 HG3 LYS 110 21.309 8.358 17.347 271 HD2 LYS 110 HD2 LYS 110 19.664 10.285 17.223 272 HD3 LYS 110 HD3 LYS 110 20.250 10.830 18.798 273 HE2 LYS 110 HE2 LYS 110 21.925 10.537 16.236 274 HE3 LYS 110 HE3 LYS 110 21.252 12.039 16.869 275 HZ1 LYS 110 HZ1 LYS 110 23.306 10.386 18.271 276 HZ2 LYS 110 HZ2 LYS 110 23.560 11.819 17.536 277 HZ3 LYS 110 HZ3 LYS 110 22.638 11.756 18.876 278 H TRP 111 H TRP 111 17.643 5.605 18.223 279 HA TRP 111 HA TRP 111 16.904 4.768 21.014 280 HB2 TRP 111 HB2 TRP 111 15.217 6.167 18.911 281 HB3 TRP 111 HB3 TRP 111 14.597 5.511 20.420 282 HD1 TRP 111 HD1 TRP 111 15.774 6.491 22.735 283 HE1 TRP 111 HE1 TRP 111 16.580 8.856 23.326 284 HE3 TRP 111 HE3 TRP 111 16.009 8.443 18.036 285 HZ2 TRP 111 HZ2 TRP 111 17.394 11.243 21.914 286 HZ3 TRP 111 HZ3 TRP 111 16.923 10.742 17.669 287 HH2 TRP 111 HH2 TRP 111 17.603 12.144 19.595 288 H GLY 112 H GLY 112 17.397 3.446 17.973 289 HA2 GLY 112 HA2 GLY 112 17.360 1.086 17.786 290 HA3 GLY 112 HA3 GLY 112 15.908 0.976 18.764 291 HA PRO 113 HA PRO 113 15.068 1.849 14.051 292 HB2 PRO 113 HB2 PRO 113 15.359 -0.652 12.813 293 HB3 PRO 113 HB3 PRO 113 16.562 0.669 12.794 294 HG2 PRO 113 HG2 PRO 113 16.483 -1.734 14.582 295 HG3 PRO 113 HG3 PRO 113 17.894 -0.919 13.784 296 HD2 PRO 113 HD2 PRO 113 17.305 -0.569 16.399 297 HD3 PRO 113 HD3 PRO 113 17.954 0.757 15.383 298 H GLU 114 H GLU 114 14.271 -1.112 15.920 299 HA GLU 114 HA GLU 114 11.717 -1.520 14.702 300 HB2 GLU 114 HB2 GLU 114 12.846 -2.350 17.405 301 HB3 GLU 114 HB3 GLU 114 11.286 -2.894 16.773 302 HG2 GLU 114 HG2 GLU 114 12.420 -3.880 14.798 303 HG3 GLU 114 HG3 GLU 114 13.988 -3.402 15.458 304 H ALA 115 H ALA 115 12.747 0.317 17.556 305 HA ALA 115 HA ALA 115 10.124 1.132 18.447 306 HB1 ALA 115 HB1 ALA 115 11.400 2.858 19.707 307 HB2 ALA 115 HB2 ALA 115 12.107 1.231 19.888 308 HB3 ALA 115 HB3 ALA 115 12.865 2.423 18.810 309 H VAL 116 H VAL 116 12.599 2.774 16.404 310 HA VAL 116 HA VAL 116 11.007 5.062 15.804 311 HB VAL 116 HB VAL 116 13.329 3.791 14.330 312 HG11 VAL 116 HG11 VAL 116 13.635 6.037 13.286 313 HG12 VAL 116 HG12 VAL 116 12.141 5.262 12.749 314 HG13 VAL 116 HG13 VAL 116 12.086 6.552 13.970 315 HG21 VAL 116 HG21 VAL 116 14.637 5.535 15.419 316 HG22 VAL 116 HG22 VAL 116 13.200 6.200 16.195 317 HG23 VAL 116 HG23 VAL 116 13.814 4.623 16.671 318 H GLU 117 H GLU 117 11.240 1.912 14.013 319 HA GLU 117 HA GLU 117 9.448 2.797 11.916 320 HB2 GLU 117 HB2 GLU 117 10.349 0.066 12.892 321 HB3 GLU 117 HB3 GLU 117 9.148 0.269 11.603 322 HG2 GLU 117 HG2 GLU 117 10.689 1.568 10.248 323 HG3 GLU 117 HG3 GLU 117 11.901 1.573 11.518 324 H SER 118 H SER 118 8.885 1.649 15.196 325 HA SER 118 HA SER 118 6.014 1.276 14.850 326 HB2 SER 118 HB2 SER 118 7.264 0.174 16.584 327 HB3 SER 118 HB3 SER 118 7.541 1.726 17.406 328 HG SER 118 HG SER 118 5.690 0.552 18.215 329 H TRP 119 H TRP 119 8.114 4.093 15.430 330 HA TRP 119 HA TRP 119 5.979 5.933 16.144 331 HB2 TRP 119 HB2 TRP 119 8.599 6.643 14.795 332 HB3 TRP 119 HB3 TRP 119 7.539 7.702 15.677 333 HD1 TRP 119 HD1 TRP 119 7.530 5.214 18.101 334 HE1 TRP 119 HE1 TRP 119 9.426 5.386 19.805 335 HE3 TRP 119 HE3 TRP 119 10.690 8.377 15.524 336 HZ2 TRP 119 HZ2 TRP 119 12.021 6.583 19.982 337 HZ3 TRP 119 HZ3 TRP 119 12.802 9.117 16.582 338 HH2 TRP 119 HH2 TRP 119 13.501 8.217 18.780 339 H ALA 120 H ALA 120 6.850 4.439 13.150 340 HA ALA 120 HA ALA 120 6.313 6.542 11.348 341 HB1 ALA 120 HB1 ALA 120 5.903 3.586 10.781 342 HB2 ALA 120 HB2 ALA 120 6.265 4.873 9.612 343 HB3 ALA 120 HB3 ALA 120 7.488 4.382 10.795 344 H THR 121 H THR 121 4.540 7.274 10.279 345 HA THR 121 HA THR 121 1.964 5.754 10.260 346 HB THR 121 HB THR 121 0.931 8.173 10.201 347 HG1 THR 121 HG1 THR 121 1.955 9.562 11.689 348 HG21 THR 121 HG21 THR 121 1.766 6.897 12.825 349 HG22 THR 121 HG22 THR 121 0.433 8.058 12.578 350 HG23 THR 121 HG23 THR 121 0.348 6.452 11.840 351 H LEU 122 H LEU 122 1.420 5.266 8.358 352 HA LEU 122 HA LEU 122 2.418 6.463 5.925 353 HB2 LEU 122 HB2 LEU 122 0.121 4.616 6.658 354 HB3 LEU 122 HB3 LEU 122 0.432 5.091 4.984 355 HG LEU 122 HG LEU 122 2.525 3.728 6.731 356 HD11 LEU 122 HD11 LEU 122 0.570 2.239 6.485 357 HD12 LEU 122 HD12 LEU 122 0.595 2.468 4.730 358 HD13 LEU 122 HD13 LEU 122 1.943 1.639 5.535 359 HD21 LEU 122 HD21 LEU 122 3.555 3.174 4.536 360 HD22 LEU 122 HD22 LEU 122 2.247 4.029 3.696 361 HD23 LEU 122 HD23 LEU 122 3.391 4.930 4.708 362 H LEU 123 H LEU 123 1.708 8.181 4.815 363 HA LEU 123 HA LEU 123 -0.769 9.587 5.719 364 HB2 LEU 123 HB2 LEU 123 1.445 10.586 3.884 365 HB3 LEU 123 HB3 LEU 123 0.110 11.519 4.546 366 HG LEU 123 HG LEU 123 2.516 10.416 6.050 367 HD11 LEU 123 HD11 LEU 123 2.917 12.789 6.500 368 HD12 LEU 123 HD12 LEU 123 2.800 12.518 4.759 369 HD13 LEU 123 HD13 LEU 123 1.439 13.238 5.639 370 HD21 LEU 123 HD21 LEU 123 1.541 11.548 8.072 371 HD22 LEU 123 HD22 LEU 123 0.029 11.799 7.178 372 HD23 LEU 123 HD23 LEU 123 0.592 10.154 7.560 373 H GLY 124 H GLY 124 -2.060 10.658 3.944 374 HA2 GLY 124 HA2 GLY 124 -1.976 9.798 1.223 375 HA3 GLY 124 HA3 GLY 124 -3.155 8.817 2.101 376 H HIS 125 H HIS 125 -4.288 10.082 0.188 377 HA HIS 125 HA HIS 125 -5.924 12.201 1.407 378 HB2 HIS 125 HB2 HIS 125 -4.132 13.383 0.397 379 HB3 HIS 125 HB3 HIS 125 -4.462 12.660 -1.186 380 HD1 HIS 125 HD1 HIS 125 -7.797 13.293 -0.358 381 HD2 HIS 125 HD2 HIS 125 -4.441 15.776 -0.962 382 HE1 HIS 125 HE1 HIS 125 -8.724 15.648 -0.941 383 HE2 HIS 125 HE2 HIS 125 -6.660 17.150 -1.314 Start of MODEL 20 1 H ALA 79 H1 ALA 79 0.823 2.332 -2.017 2 HA ALA 79 HA ALA 79 2.836 1.102 -2.541 3 HB1 ALA 79 HB1 ALA 79 2.212 0.393 -4.817 4 HB2 ALA 79 HB2 ALA 79 2.361 2.069 -5.397 5 HB3 ALA 79 HB3 ALA 79 3.788 1.188 -4.803 6 H ARG 80 H ARG 80 4.511 2.136 -1.736 7 HA ARG 80 HA ARG 80 5.993 3.740 -1.088 8 HB2 ARG 80 HB2 ARG 80 5.756 4.545 -3.984 9 HB3 ARG 80 HB3 ARG 80 7.088 4.895 -2.857 10 HG2 ARG 80 HG2 ARG 80 7.413 2.472 -2.477 11 HG3 ARG 80 HG3 ARG 80 6.186 2.113 -3.706 12 HD2 ARG 80 HD2 ARG 80 7.521 3.312 -5.413 13 HD3 ARG 80 HD3 ARG 80 8.769 3.652 -4.190 14 HE ARG 80 HE ARG 80 8.329 0.849 -4.214 15 HH11 ARG 80 HH11 ARG 80 9.679 3.231 -6.405 16 HH12 ARG 80 HH12 ARG 80 10.723 2.067 -7.171 17 HH21 ARG 80 HH21 ARG 80 9.677 -0.584 -5.225 18 HH22 ARG 80 HH22 ARG 80 10.724 -0.045 -6.505 19 H LYS 81 H LYS 81 3.290 4.574 -0.471 20 HA LYS 81 HA LYS 81 3.194 7.514 -0.629 21 HB2 LYS 81 HB2 LYS 81 1.690 5.446 1.036 22 HB3 LYS 81 HB3 LYS 81 1.479 7.192 1.266 23 HG2 LYS 81 HG2 LYS 81 0.918 7.407 -1.171 24 HG3 LYS 81 HG3 LYS 81 0.940 5.636 -1.296 25 HD2 LYS 81 HD2 LYS 81 -0.832 5.528 0.463 26 HD3 LYS 81 HD3 LYS 81 -0.891 7.303 0.485 27 HE2 LYS 81 HE2 LYS 81 -1.469 5.564 -1.962 28 HE3 LYS 81 HE3 LYS 81 -2.702 6.171 -0.858 29 HZ1 LYS 81 HZ1 LYS 81 -2.513 7.626 -2.765 30 HZ2 LYS 81 HZ2 LYS 81 -2.023 8.457 -1.450 31 HZ3 LYS 81 HZ3 LYS 81 -0.925 7.889 -2.526 32 H VAL 82 H VAL 82 3.321 8.896 1.125 33 HA VAL 82 HA VAL 82 5.906 8.854 2.367 34 HB VAL 82 HB VAL 82 3.479 10.623 2.852 35 HG11 VAL 82 HG11 VAL 82 4.882 10.913 4.811 36 HG12 VAL 82 HG12 VAL 82 6.353 11.033 3.807 37 HG13 VAL 82 HG13 VAL 82 5.114 12.302 3.762 38 HG21 VAL 82 HG21 VAL 82 4.453 10.750 0.538 39 HG22 VAL 82 HG22 VAL 82 4.700 12.248 1.439 40 HG23 VAL 82 HG23 VAL 82 6.043 11.104 1.250 41 H LYS 83 H LYS 83 6.623 8.336 4.334 42 HA LYS 83 HA LYS 83 4.724 7.515 6.511 43 HB2 LYS 83 HB2 LYS 83 7.626 6.783 5.936 44 HB3 LYS 83 HB3 LYS 83 6.894 6.609 7.544 45 HG2 LYS 83 HG2 LYS 83 5.161 5.130 6.657 46 HG3 LYS 83 HG3 LYS 83 5.857 5.254 5.028 47 HD2 LYS 83 HD2 LYS 83 7.888 4.152 5.709 48 HD3 LYS 83 HD3 LYS 83 7.461 4.276 7.431 49 HE2 LYS 83 HE2 LYS 83 5.581 2.755 7.155 50 HE3 LYS 83 HE3 LYS 83 5.833 2.687 5.402 51 HZ1 LYS 83 HZ1 LYS 83 6.805 0.743 6.498 52 HZ2 LYS 83 HZ2 LYS 83 7.999 1.618 5.812 53 HZ3 LYS 83 HZ3 LYS 83 7.766 1.672 7.435 54 H GLN 84 H GLN 84 4.387 9.018 7.925 55 HA GLN 84 HA GLN 84 6.313 11.219 8.477 56 HB2 GLN 84 HB2 GLN 84 3.878 11.692 8.224 57 HB3 GLN 84 HB3 GLN 84 3.525 10.595 9.559 58 HG2 GLN 84 HG2 GLN 84 4.820 12.078 11.091 59 HG3 GLN 84 HG3 GLN 84 5.192 13.153 9.741 60 HE21 GLN 84 HE22 GLN 84 3.406 14.490 8.813 61 HE22 GLN 84 HE21 GLN 84 1.936 14.672 9.759 62 H TYR 85 H TYR 85 7.310 11.381 10.486 63 HA TYR 85 HA TYR 85 6.993 9.163 12.467 64 HB2 TYR 85 HB2 TYR 85 9.634 10.272 11.441 65 HB3 TYR 85 HB3 TYR 85 9.463 9.230 12.826 66 HD1 TYR 85 HD1 TYR 85 9.025 9.349 9.100 67 HD2 TYR 85 HD2 TYR 85 9.541 6.891 12.606 68 HE1 TYR 85 HE1 TYR 85 9.443 7.360 7.659 69 HE2 TYR 85 HE2 TYR 85 10.004 4.924 11.178 70 HH TYR 85 HH TYR 85 10.177 4.121 8.993 71 H LYS 86 H LYS 86 7.369 9.825 14.603 72 HA LYS 86 HA LYS 86 8.019 12.685 15.144 73 HB2 LYS 86 HB2 LYS 86 5.566 12.352 15.284 74 HB3 LYS 86 HB3 LYS 86 5.809 11.029 16.443 75 HG2 LYS 86 HG2 LYS 86 6.727 12.560 18.103 76 HG3 LYS 86 HG3 LYS 86 6.711 13.897 16.945 77 HD2 LYS 86 HD2 LYS 86 4.225 13.745 16.814 78 HD3 LYS 86 HD3 LYS 86 4.259 12.407 17.978 79 HE2 LYS 86 HE2 LYS 86 5.306 13.904 19.669 80 HE3 LYS 86 HE3 LYS 86 5.297 15.234 18.503 81 HZ1 LYS 86 HZ1 LYS 86 2.853 13.884 19.561 82 HZ2 LYS 86 HZ2 LYS 86 3.376 15.364 19.999 83 HZ3 LYS 86 HZ3 LYS 86 2.846 15.109 18.477 84 H ASN 87 H ASN 87 9.286 13.008 16.934 85 HA ASN 87 HA ASN 87 10.420 10.541 18.229 86 HB2 ASN 87 HB2 ASN 87 11.875 11.685 16.640 87 HB3 ASN 87 HB3 ASN 87 11.799 13.165 17.591 88 HD21 ASN 87 HD22 ASN 87 14.234 11.888 17.006 89 HD22 ASN 87 HD21 ASN 87 14.858 11.196 18.501 90 HA PRO 88 HA PRO 88 8.363 12.513 21.864 91 HB2 PRO 88 HB2 PRO 88 9.328 9.812 22.828 92 HB3 PRO 88 HB3 PRO 88 7.841 10.698 23.287 93 HG2 PRO 88 HG2 PRO 88 7.732 8.717 21.446 94 HG3 PRO 88 HG3 PRO 88 6.836 10.246 21.161 95 HD2 PRO 88 HD2 PRO 88 9.453 9.343 19.975 96 HD3 PRO 88 HD3 PRO 88 8.096 10.234 19.220 97 H HIS 89 H HIS 89 11.665 11.230 21.512 98 HA HIS 89 HA HIS 89 12.573 12.193 24.121 99 HB2 HIS 89 HB2 HIS 89 14.204 11.222 21.733 100 HB3 HIS 89 HB3 HIS 89 14.781 11.449 23.374 101 HD1 HIS 89 HD1 HIS 89 13.734 9.707 25.264 102 HD2 HIS 89 HD2 HIS 89 12.967 8.935 21.185 103 HE1 HIS 89 HE1 HIS 89 12.905 7.270 25.132 104 HE2 HIS 89 HE2 HIS 89 12.425 6.805 22.650 105 H THR 90 H THR 90 12.273 13.691 20.985 106 HA THR 90 HA THR 90 13.828 16.077 21.946 107 HB THR 90 HB THR 90 14.563 16.435 19.683 108 HG1 THR 90 HG1 THR 90 13.955 15.075 18.045 109 HG21 THR 90 HG21 THR 90 15.883 14.750 21.026 110 HG22 THR 90 HG22 THR 90 14.918 13.463 20.263 111 HG23 THR 90 HG23 THR 90 15.967 14.494 19.274 112 H GLY 91 H GLY 91 10.826 15.001 20.537 113 HA2 GLY 91 HA2 GLY 91 8.828 16.239 20.446 114 HA3 GLY 91 HA3 GLY 91 9.727 17.756 20.507 115 H GLU 92 H GLU 92 11.402 16.015 18.237 116 HA GLU 92 HA GLU 92 10.417 17.574 16.050 117 HB2 GLU 92 HB2 GLU 92 12.495 15.444 16.466 118 HB3 GLU 92 HB3 GLU 92 11.921 15.688 14.821 119 HG2 GLU 92 HG2 GLU 92 12.430 17.886 14.716 120 HG3 GLU 92 HG3 GLU 92 12.767 18.034 16.469 121 H VAL 93 H VAL 93 9.544 17.048 14.108 122 HA VAL 93 HA VAL 93 8.391 14.358 13.627 123 HB VAL 93 HB VAL 93 7.211 17.049 12.882 124 HG11 VAL 93 HG11 VAL 93 6.032 14.244 12.635 125 HG12 VAL 93 HG12 VAL 93 5.186 15.752 12.240 126 HG13 VAL 93 HG13 VAL 93 6.577 15.254 11.276 127 HG21 VAL 93 HG21 VAL 93 6.997 16.771 15.255 128 HG22 VAL 93 HG22 VAL 93 5.412 16.577 14.501 129 HG23 VAL 93 HG23 VAL 93 6.309 15.137 15.046 130 H ILE 94 H ILE 94 8.700 13.612 11.554 131 HA ILE 94 HA ILE 94 9.774 15.343 9.424 132 HB ILE 94 HB ILE 94 11.510 13.689 8.812 133 HG12 ILE 94 HG12 ILE 94 10.916 12.404 11.501 134 HG13 ILE 94 HG13 ILE 94 10.575 11.707 9.918 135 HG21 ILE 94 HG21 ILE 94 11.984 14.817 11.590 136 HG22 ILE 94 HG22 ILE 94 13.192 14.448 10.344 137 HG23 ILE 94 HG23 ILE 94 12.024 15.748 10.076 138 HD11 ILE 94 HD11 ILE 94 12.976 11.627 9.393 139 HD12 ILE 94 HD12 ILE 94 13.349 12.256 11.027 140 HD13 ILE 94 HD13 ILE 94 12.555 10.689 10.837 141 H GLU 95 H GLU 95 9.765 14.256 7.368 142 HA GLU 95 HA GLU 95 7.911 11.956 7.010 143 HB2 GLU 95 HB2 GLU 95 7.630 14.750 5.849 144 HB3 GLU 95 HB3 GLU 95 6.960 13.337 5.023 145 HG2 GLU 95 HG2 GLU 95 5.542 12.786 6.876 146 HG3 GLU 95 HG3 GLU 95 6.313 13.997 7.908 147 H THR 96 H THR 96 8.480 10.586 5.454 148 HA THR 96 HA THR 96 10.218 11.362 3.195 149 HB THR 96 HB THR 96 11.931 10.833 4.739 150 HG1 THR 96 HG1 THR 96 12.845 9.070 3.729 151 HG21 THR 96 HG21 THR 96 12.074 8.655 5.944 152 HG22 THR 96 HG22 THR 96 10.745 9.661 6.532 153 HG23 THR 96 HG23 THR 96 10.404 8.286 5.452 154 H LYS 97 H LYS 97 10.294 9.692 1.518 155 HA LYS 97 HA LYS 97 7.865 7.943 1.439 156 HB2 LYS 97 HB2 LYS 97 9.951 8.667 -0.660 157 HB3 LYS 97 HB3 LYS 97 8.606 7.544 -0.923 158 HG2 LYS 97 HG2 LYS 97 6.973 9.328 -0.403 159 HG3 LYS 97 HG3 LYS 97 8.294 10.465 -0.115 160 HD2 LYS 97 HD2 LYS 97 7.412 10.884 -2.298 161 HD3 LYS 97 HD3 LYS 97 9.031 10.191 -2.485 162 HE2 LYS 97 HE2 LYS 97 8.028 7.969 -2.996 163 HE3 LYS 97 HE3 LYS 97 6.411 8.629 -2.734 164 HZ1 LYS 97 HZ1 LYS 97 8.294 9.526 -4.869 165 HZ2 LYS 97 HZ2 LYS 97 6.979 8.588 -5.106 166 HZ3 LYS 97 HZ3 LYS 97 6.795 10.135 -4.632 167 H GLY 98 H GLY 98 10.954 7.588 2.633 168 HA2 GLY 98 HA2 GLY 98 11.372 5.451 3.735 169 HA3 GLY 98 HA3 GLY 98 10.876 4.602 2.277 170 H GLY 99 H GLY 99 12.783 7.262 1.357 171 HA2 GLY 99 HA2 GLY 99 15.066 5.625 0.602 172 HA3 GLY 99 HA3 GLY 99 14.879 7.360 0.379 173 H ASN 100 H ASN 100 17.312 6.758 0.951 174 HA ASN 100 HA ASN 100 18.038 6.495 3.724 175 HB2 ASN 100 HB2 ASN 100 19.483 5.803 1.844 176 HB3 ASN 100 HB3 ASN 100 19.622 7.482 1.316 177 HD21 ASN 100 HD22 ASN 100 21.975 7.173 1.559 178 HD22 ASN 100 HD21 ASN 100 22.678 7.286 3.164 179 H HIS 101 H HIS 101 16.710 8.037 4.762 180 HA HIS 101 HA HIS 101 17.331 10.933 4.414 181 HB2 HIS 101 HB2 HIS 101 14.995 10.041 4.270 182 HB3 HIS 101 HB3 HIS 101 15.084 9.557 5.961 183 HD1 HIS 101 HD1 HIS 101 14.851 11.586 7.753 184 HD2 HIS 101 HD2 HIS 101 14.786 12.653 3.679 185 HE1 HIS 101 HE1 HIS 101 14.307 14.113 7.683 186 HE2 HIS 101 HE2 HIS 101 14.197 14.730 5.176 187 H LYS 102 H LYS 102 19.277 11.180 5.470 188 HA LYS 102 HA LYS 102 20.451 9.888 7.510 189 HB2 LYS 102 HB2 LYS 102 21.470 11.664 6.132 190 HB3 LYS 102 HB3 LYS 102 20.554 12.893 6.991 191 HG2 LYS 102 HG2 LYS 102 22.824 12.915 7.738 192 HG3 LYS 102 HG3 LYS 102 21.809 12.388 9.072 193 HD2 LYS 102 HD2 LYS 102 22.505 10.037 8.724 194 HD3 LYS 102 HD3 LYS 102 23.425 10.521 7.275 195 HE2 LYS 102 HE2 LYS 102 24.811 12.047 8.712 196 HE3 LYS 102 HE3 LYS 102 23.939 11.481 10.135 197 HZ1 LYS 102 HZ1 LYS 102 24.816 9.231 9.689 198 HZ2 LYS 102 HZ2 LYS 102 25.605 9.760 8.352 199 HZ3 LYS 102 HZ3 LYS 102 26.046 10.290 9.827 200 H THR 103 H THR 103 18.303 12.667 8.264 201 HA THR 103 HA THR 103 18.558 12.611 11.053 202 HB THR 103 HB THR 103 16.007 13.229 9.505 203 HG1 THR 103 HG1 THR 103 16.918 15.345 9.409 204 HG21 THR 103 HG21 THR 103 15.618 14.918 11.254 205 HG22 THR 103 HG22 THR 103 15.656 13.292 11.946 206 HG23 THR 103 HG23 THR 103 17.065 14.355 12.130 207 H LEU 104 H LEU 104 16.522 10.475 9.065 208 HA LEU 104 HA LEU 104 15.083 9.301 11.356 209 HB2 LEU 104 HB2 LEU 104 14.117 9.385 9.037 210 HB3 LEU 104 HB3 LEU 104 15.441 8.369 8.460 211 HG LEU 104 HG LEU 104 14.652 6.532 9.983 212 HD11 LEU 104 HD11 LEU 104 12.383 6.669 10.907 213 HD12 LEU 104 HD12 LEU 104 13.420 7.884 11.661 214 HD13 LEU 104 HD13 LEU 104 12.246 8.359 10.408 215 HD21 LEU 104 HD21 LEU 104 13.979 6.654 7.598 216 HD22 LEU 104 HD22 LEU 104 12.744 5.900 8.624 217 HD23 LEU 104 HD23 LEU 104 12.528 7.573 8.072 218 H LYS 105 H LYS 105 17.860 8.419 9.214 219 HA LYS 105 HA LYS 105 18.498 5.953 10.427 220 HB2 LYS 105 HB2 LYS 105 19.457 7.191 8.305 221 HB3 LYS 105 HB3 LYS 105 20.663 7.822 9.463 222 HG2 LYS 105 HG2 LYS 105 21.243 5.481 10.083 223 HG3 LYS 105 HG3 LYS 105 20.023 4.883 8.946 224 HD2 LYS 105 HD2 LYS 105 21.246 6.029 7.082 225 HD3 LYS 105 HD3 LYS 105 22.527 6.478 8.210 226 HE2 LYS 105 HE2 LYS 105 21.638 3.617 7.565 227 HE3 LYS 105 HE3 LYS 105 22.986 4.440 6.788 228 HZ1 LYS 105 HZ1 LYS 105 22.847 3.780 9.692 229 HZ2 LYS 105 HZ2 LYS 105 23.790 3.054 8.577 230 HZ3 LYS 105 HZ3 LYS 105 24.080 4.600 8.972 231 H GLU 106 H GLU 106 19.648 9.218 11.300 232 HA GLU 106 HA GLU 106 21.178 8.458 13.532 233 HB2 GLU 106 HB2 GLU 106 19.671 10.983 12.794 234 HB3 GLU 106 HB3 GLU 106 20.327 10.819 14.423 235 HG2 GLU 106 HG2 GLU 106 22.552 10.324 13.505 236 HG3 GLU 106 HG3 GLU 106 21.915 10.537 11.857 237 H TRP 107 H TRP 107 17.665 9.176 13.413 238 HA TRP 107 HA TRP 107 17.213 8.702 16.195 239 HB2 TRP 107 HB2 TRP 107 15.286 8.384 13.864 240 HB3 TRP 107 HB3 TRP 107 14.843 8.385 15.556 241 HD1 TRP 107 HD1 TRP 107 17.347 11.024 15.270 242 HE1 TRP 107 HE1 TRP 107 16.299 13.336 15.025 243 HE3 TRP 107 HE3 TRP 107 12.539 9.639 14.102 244 HZ2 TRP 107 HZ2 TRP 107 13.784 14.453 14.343 245 HZ3 TRP 107 HZ3 TRP 107 10.816 11.394 13.708 246 HH2 TRP 107 HH2 TRP 107 11.433 13.817 13.831 247 H LYS 108 H LYS 108 17.177 6.412 13.457 248 HA LYS 108 HA LYS 108 16.356 4.075 14.978 249 HB2 LYS 108 HB2 LYS 108 18.041 4.277 12.430 250 HB3 LYS 108 HB3 LYS 108 17.330 2.774 13.084 251 HG2 LYS 108 HG2 LYS 108 15.056 3.765 12.833 252 HG3 LYS 108 HG3 LYS 108 15.757 5.197 12.131 253 HD2 LYS 108 HD2 LYS 108 15.489 4.229 10.120 254 HD3 LYS 108 HD3 LYS 108 16.882 3.218 10.529 255 HE2 LYS 108 HE2 LYS 108 15.272 1.603 11.622 256 HE3 LYS 108 HE3 LYS 108 13.932 2.610 11.066 257 HZ1 LYS 108 HZ1 LYS 108 14.662 2.147 8.752 258 HZ2 LYS 108 HZ2 LYS 108 15.856 1.165 9.295 259 HZ3 LYS 108 HZ3 LYS 108 14.281 0.770 9.558 260 H ALA 109 H ALA 109 19.544 5.489 14.321 261 HA ALA 109 HA ALA 109 21.039 3.430 15.691 262 HB1 ALA 109 HB1 ALA 109 21.754 6.324 15.058 263 HB2 ALA 109 HB2 ALA 109 22.896 5.040 15.510 264 HB3 ALA 109 HB3 ALA 109 21.998 4.930 13.983 265 H LYS 110 H LYS 110 19.681 6.541 16.745 266 HA LYS 110 HA LYS 110 20.906 6.455 19.394 267 HB2 LYS 110 HB2 LYS 110 18.852 8.277 18.098 268 HB3 LYS 110 HB3 LYS 110 19.450 8.522 19.742 269 HG2 LYS 110 HG2 LYS 110 21.723 8.850 18.975 270 HG3 LYS 110 HG3 LYS 110 21.305 8.371 17.332 271 HD2 LYS 110 HD2 LYS 110 19.679 10.351 17.286 272 HD3 LYS 110 HD3 LYS 110 20.425 10.878 18.811 273 HE2 LYS 110 HE2 LYS 110 22.671 10.827 17.638 274 HE3 LYS 110 HE3 LYS 110 21.833 10.416 16.131 275 HZ1 LYS 110 HZ1 LYS 110 22.047 12.714 16.003 276 HZ2 LYS 110 HZ2 LYS 110 20.535 12.606 16.586 277 HZ3 LYS 110 HZ3 LYS 110 21.758 12.981 17.608 278 H TRP 111 H TRP 111 17.656 5.685 18.238 279 HA TRP 111 HA TRP 111 16.879 4.874 21.018 280 HB2 TRP 111 HB2 TRP 111 15.244 6.306 18.896 281 HB3 TRP 111 HB3 TRP 111 14.603 5.704 20.421 282 HD1 TRP 111 HD1 TRP 111 15.943 6.641 22.701 283 HE1 TRP 111 HE1 TRP 111 16.850 8.973 23.234 284 HE3 TRP 111 HE3 TRP 111 15.960 8.598 17.988 285 HZ2 TRP 111 HZ2 TRP 111 17.670 11.335 21.780 286 HZ3 TRP 111 HZ3 TRP 111 16.908 10.873 17.578 287 HH2 TRP 111 HH2 TRP 111 17.747 12.243 19.462 288 H GLY 112 H GLY 112 17.388 3.510 18.013 289 HA2 GLY 112 HA2 GLY 112 17.330 1.158 17.868 290 HA3 GLY 112 HA3 GLY 112 15.868 1.075 18.831 291 HA PRO 113 HA PRO 113 15.077 1.862 14.086 292 HB2 PRO 113 HB2 PRO 113 15.377 -0.670 12.903 293 HB3 PRO 113 HB3 PRO 113 16.574 0.655 12.852 294 HG2 PRO 113 HG2 PRO 113 16.501 -1.712 14.689 295 HG3 PRO 113 HG3 PRO 113 17.910 -0.897 13.882 296 HD2 PRO 113 HD2 PRO 113 17.301 -0.513 16.495 297 HD3 PRO 113 HD3 PRO 113 17.955 0.795 15.460 298 H GLU 114 H GLU 114 14.272 -1.063 15.996 299 HA GLU 114 HA GLU 114 11.730 -1.495 14.765 300 HB2 GLU 114 HB2 GLU 114 12.839 -2.290 17.485 301 HB3 GLU 114 HB3 GLU 114 11.285 -2.857 16.853 302 HG2 GLU 114 HG2 GLU 114 12.457 -3.854 14.887 303 HG3 GLU 114 HG3 GLU 114 14.009 -3.368 15.574 304 H ALA 115 H ALA 115 12.732 0.379 17.599 305 HA ALA 115 HA ALA 115 10.091 1.196 18.459 306 HB1 ALA 115 HB1 ALA 115 12.078 1.328 19.924 307 HB2 ALA 115 HB2 ALA 115 12.821 2.502 18.831 308 HB3 ALA 115 HB3 ALA 115 11.347 2.939 19.711 309 H VAL 116 H VAL 116 12.599 2.815 16.432 310 HA VAL 116 HA VAL 116 11.023 5.097 15.790 311 HB VAL 116 HB VAL 116 13.357 3.808 14.360 312 HG11 VAL 116 HG11 VAL 116 12.188 5.258 12.750 313 HG12 VAL 116 HG12 VAL 116 12.138 6.575 13.945 314 HG13 VAL 116 HG13 VAL 116 13.691 6.026 13.282 315 HG21 VAL 116 HG21 VAL 116 13.214 6.246 16.189 316 HG22 VAL 116 HG22 VAL 116 13.799 4.672 16.707 317 HG23 VAL 116 HG23 VAL 116 14.656 5.554 15.452 318 H GLU 117 H GLU 117 11.264 1.932 14.021 319 HA GLU 117 HA GLU 117 9.494 2.824 11.900 320 HB2 GLU 117 HB2 GLU 117 10.365 0.084 12.901 321 HB3 GLU 117 HB3 GLU 117 9.188 0.290 11.593 322 HG2 GLU 117 HG2 GLU 117 10.767 1.586 10.269 323 HG3 GLU 117 HG3 GLU 117 11.958 1.548 11.562 324 H SER 118 H SER 118 8.895 1.658 15.177 325 HA SER 118 HA SER 118 6.032 1.280 14.799 326 HB2 SER 118 HB2 SER 118 7.268 0.207 16.565 327 HB3 SER 118 HB3 SER 118 7.523 1.777 17.371 328 HG SER 118 HG SER 118 5.670 0.590 18.163 329 H TRP 119 H TRP 119 8.115 4.107 15.377 330 HA TRP 119 HA TRP 119 5.981 5.950 16.077 331 HB2 TRP 119 HB2 TRP 119 8.620 6.641 14.756 332 HB3 TRP 119 HB3 TRP 119 7.547 7.708 15.606 333 HD1 TRP 119 HD1 TRP 119 7.484 5.252 18.059 334 HE1 TRP 119 HE1 TRP 119 9.356 5.420 19.794 335 HE3 TRP 119 HE3 TRP 119 10.714 8.344 15.499 336 HZ2 TRP 119 HZ2 TRP 119 11.926 6.663 20.035 337 HZ3 TRP 119 HZ3 TRP 119 12.805 9.101 16.588 338 HH2 TRP 119 HH2 TRP 119 13.444 8.263 18.832 339 H ALA 120 H ALA 120 6.862 4.440 13.087 340 HA ALA 120 HA ALA 120 6.303 6.543 11.282 341 HB1 ALA 120 HB1 ALA 120 7.517 4.402 10.732 342 HB2 ALA 120 HB2 ALA 120 5.946 3.579 10.707 343 HB3 ALA 120 HB3 ALA 120 6.286 4.875 9.550 344 H THR 121 H THR 121 4.515 7.275 10.249 345 HA THR 121 HA THR 121 1.960 5.717 10.228 346 HB THR 121 HB THR 121 0.892 8.120 10.237 347 HG1 THR 121 HG1 THR 121 1.942 9.514 11.699 348 HG21 THR 121 HG21 THR 121 1.846 6.853 12.827 349 HG22 THR 121 HG22 THR 121 0.481 7.985 12.633 350 HG23 THR 121 HG23 THR 121 0.407 6.377 11.893 351 H LEU 122 H LEU 122 1.330 5.285 8.334 352 HA LEU 122 HA LEU 122 2.399 6.512 5.923 353 HB2 LEU 122 HB2 LEU 122 0.210 4.508 6.596 354 HB3 LEU 122 HB3 LEU 122 0.505 5.008 4.927 355 HG LEU 122 HG LEU 122 2.691 3.816 6.686 356 HD11 LEU 122 HD11 LEU 122 0.856 2.178 6.468 357 HD12 LEU 122 HD12 LEU 122 0.857 2.397 4.703 358 HD13 LEU 122 HD13 LEU 122 2.263 1.676 5.517 359 HD21 LEU 122 HD21 LEU 122 3.748 3.328 4.489 360 HD22 LEU 122 HD22 LEU 122 2.378 4.069 3.650 361 HD23 LEU 122 HD23 LEU 122 3.452 5.064 4.648 362 H LEU 123 H LEU 123 1.715 8.367 4.997 363 HA LEU 123 HA LEU 123 -0.778 9.667 5.860 364 HB2 LEU 123 HB2 LEU 123 1.288 10.528 3.790 365 HB3 LEU 123 HB3 LEU 123 -0.013 11.513 4.457 366 HG LEU 123 HG LEU 123 2.458 10.502 5.917 367 HD11 LEU 123 HD11 LEU 123 2.914 12.881 6.190 368 HD12 LEU 123 HD12 LEU 123 2.692 12.513 4.468 369 HD13 LEU 123 HD13 LEU 123 1.395 13.303 5.380 370 HD21 LEU 123 HD21 LEU 123 0.013 11.943 7.039 371 HD22 LEU 123 HD22 LEU 123 0.651 10.358 7.542 372 HD23 LEU 123 HD23 LEU 123 1.565 11.822 7.880 373 H GLY 124 H GLY 124 -1.635 7.427 4.944 374 HA2 GLY 124 HA2 GLY 124 -3.115 7.913 2.439 375 HA3 GLY 124 HA3 GLY 124 -1.912 6.614 2.393 376 H HIS 125 H HIS 125 -4.168 7.641 4.987 377 HA HIS 125 HA HIS 125 -5.553 5.021 4.932 378 HB2 HIS 125 HB2 HIS 125 -5.209 4.595 7.233 379 HB3 HIS 125 HB3 HIS 125 -3.628 4.874 6.534 380 HD1 HIS 125 HD1 HIS 125 -2.257 6.985 7.565 381 HD2 HIS 125 HD2 HIS 125 -6.241 6.480 8.895 382 HE1 HIS 125 HE1 HIS 125 -2.581 8.600 9.552 383 HE2 HIS 125 HE2 HIS 125 -5.003 8.284 10.358
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