NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586479 | 2mjy | 19746 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H1 LEU 1 2.325 -4.923 -11.164 2 H2 LEU 1 H2 LEU 1 2.646 -6.584 -11.318 3 H3 LEU 1 H3 LEU 1 3.409 -5.677 -10.101 4 HA LEU 1 HA LEU 1 0.855 -5.197 -9.513 5 HB2 LEU 1 HB2 LEU 1 1.043 -7.735 -11.059 6 HB3 LEU 1 HB3 LEU 1 0.055 -7.765 -9.598 7 HG LEU 1 HG LEU 1 -0.275 -5.467 -11.486 8 HD11 LEU 1 HD11 LEU 1 -2.179 -7.083 -12.443 9 HD12 LEU 1 HD12 LEU 1 -0.992 -8.316 -12.019 10 HD13 LEU 1 HD13 LEU 1 -0.566 -7.035 -13.154 11 HD21 LEU 1 HD21 LEU 1 -2.046 -7.060 -9.613 12 HD22 LEU 1 HD22 LEU 1 -2.669 -5.815 -10.697 13 HD23 LEU 1 HD23 LEU 1 -1.521 -5.386 -9.429 14 H LYS 2 H LYS 2 2.585 -4.832 -7.861 15 HA LYS 2 HA LYS 2 2.378 -6.756 -5.774 16 HB2 LYS 2 HB2 LYS 2 4.758 -7.359 -5.606 17 HB3 LYS 2 HB3 LYS 2 4.056 -7.940 -7.116 18 HG2 LYS 2 HG2 LYS 2 5.026 -5.276 -7.538 19 HG3 LYS 2 HG3 LYS 2 6.307 -6.220 -6.777 20 HD2 LYS 2 HD2 LYS 2 5.738 -8.044 -8.517 21 HD3 LYS 2 HD3 LYS 2 4.864 -6.770 -9.370 22 HE2 LYS 2 HE2 LYS 2 7.746 -7.224 -9.162 23 HE3 LYS 2 HE3 LYS 2 6.848 -6.233 -10.312 24 HZ1 LYS 2 HZ1 LYS 2 7.925 -4.608 -9.187 25 HZ2 LYS 2 HZ2 LYS 2 8.026 -5.499 -7.743 26 HZ3 LYS 2 HZ3 LYS 2 6.569 -4.739 -8.176 27 H CYS 3 H CYS 3 3.666 -6.100 -3.857 28 HA CYS 3 HA CYS 3 4.890 -3.510 -3.786 29 HB2 CYS 3 HB2 CYS 3 2.025 -3.833 -2.972 30 HB3 CYS 3 HB3 CYS 3 3.054 -2.720 -2.072 31 H TYR 4 H TYR 4 4.566 -2.881 -1.132 32 HA TYR 4 HA TYR 4 5.978 -5.103 0.138 33 HB2 TYR 4 HB2 TYR 4 5.669 -2.181 0.720 34 HB3 TYR 4 HB3 TYR 4 6.203 -3.280 1.992 35 HD1 TYR 4 HD1 TYR 4 8.172 -4.853 1.458 36 HD2 TYR 4 HD2 TYR 4 7.189 -1.403 -0.902 37 HE1 TYR 4 HE1 TYR 4 10.451 -4.868 0.490 38 HE2 TYR 4 HE2 TYR 4 9.470 -1.414 -1.871 39 HH TYR 4 HH TYR 4 11.310 -3.379 -2.218 40 H GLN 5 H GLN 5 4.324 -6.533 0.567 41 HA GLN 5 HA GLN 5 2.083 -5.633 2.232 42 HB2 GLN 5 HB2 GLN 5 1.958 -7.263 0.182 43 HB3 GLN 5 HB3 GLN 5 2.487 -8.470 1.353 44 HG2 GLN 5 HG2 GLN 5 0.568 -7.376 2.830 45 HG3 GLN 5 HG3 GLN 5 -0.069 -6.923 1.250 46 HE21 GLN 5 HE21 GLN 5 -1.807 -8.578 2.173 47 HE22 GLN 5 HE22 GLN 5 -1.568 -10.199 1.730 48 H HIS 6 H HIS 6 4.881 -7.788 2.323 49 HA HIS 6 HA HIS 6 4.550 -7.964 5.255 50 HB2 HIS 6 HB2 HIS 6 4.111 -10.099 3.704 51 HB3 HIS 6 HB3 HIS 6 5.867 -10.213 3.817 52 HD1 HIS 6 HD1 HIS 6 6.774 -11.256 5.904 53 HD2 HIS 6 HD2 HIS 6 2.850 -9.942 6.414 54 HE1 HIS 6 HE1 HIS 6 6.056 -12.020 8.210 55 H GLY 7 H GLY 7 6.076 -6.007 3.932 56 HA2 GLY 7 HA2 GLY 7 8.144 -5.018 4.248 57 HA3 GLY 7 HA3 GLY 7 8.639 -6.443 5.157 58 H LYS 8 H LYS 8 7.432 -7.670 2.405 59 HA LYS 8 HA LYS 8 9.958 -7.408 0.897 60 HB2 LYS 8 HB2 LYS 8 8.710 -10.020 0.606 61 HB3 LYS 8 HB3 LYS 8 10.380 -9.613 1.000 62 HG2 LYS 8 HG2 LYS 8 9.533 -9.060 3.355 63 HG3 LYS 8 HG3 LYS 8 8.033 -9.863 2.890 64 HD2 LYS 8 HD2 LYS 8 8.994 -11.823 3.446 65 HD3 LYS 8 HD3 LYS 8 10.089 -11.606 2.079 66 HE2 LYS 8 HE2 LYS 8 11.399 -11.942 4.112 67 HE3 LYS 8 HE3 LYS 8 11.606 -10.282 3.555 68 HZ1 LYS 8 HZ1 LYS 8 9.995 -9.542 5.151 69 HZ2 LYS 8 HZ2 LYS 8 11.189 -10.445 5.956 70 HZ3 LYS 8 HZ3 LYS 8 9.669 -11.134 5.636 71 H VAL 9 H VAL 9 9.562 -6.642 -1.070 72 HA VAL 9 HA VAL 9 7.159 -6.068 -2.222 73 HB VAL 9 HB VAL 9 9.658 -6.997 -3.658 74 HG11 VAL 9 HG11 VAL 9 8.715 -5.621 -5.531 75 HG12 VAL 9 HG12 VAL 9 7.222 -5.459 -4.606 76 HG13 VAL 9 HG13 VAL 9 7.748 -7.049 -5.162 77 HG21 VAL 9 HG21 VAL 9 10.024 -4.517 -3.869 78 HG22 VAL 9 HG22 VAL 9 10.108 -5.102 -2.208 79 HG23 VAL 9 HG23 VAL 9 8.661 -4.271 -2.778 80 H VAL 10 H VAL 10 5.554 -7.600 -1.970 81 HA VAL 10 HA VAL 10 5.877 -10.031 -3.624 82 HB VAL 10 HB VAL 10 4.329 -11.141 -1.918 83 HG11 VAL 10 HG11 VAL 10 6.358 -11.334 -0.251 84 HG12 VAL 10 HG12 VAL 10 7.203 -10.386 -1.475 85 HG13 VAL 10 HG13 VAL 10 6.515 -11.955 -1.894 86 HG21 VAL 10 HG21 VAL 10 3.617 -9.921 -0.163 87 HG22 VAL 10 HG22 VAL 10 4.448 -8.513 -0.824 88 HG23 VAL 10 HG23 VAL 10 5.284 -9.583 0.302 89 H THR 11 H THR 11 3.836 -10.952 -4.374 90 HA THR 11 HA THR 11 2.042 -8.877 -5.293 91 HB THR 11 HB THR 11 1.899 -11.875 -5.698 92 HG1 THR 11 HG1 THR 11 2.756 -10.118 -7.669 93 HG21 THR 11 HG21 THR 11 -0.179 -11.159 -6.387 94 HG22 THR 11 HG22 THR 11 0.731 -10.824 -7.861 95 HG23 THR 11 HG23 THR 11 0.381 -9.521 -6.724 96 H CYS 12 H CYS 12 0.520 -8.136 -3.952 97 HA CYS 12 HA CYS 12 -0.435 -9.423 -1.658 98 HB2 CYS 12 HB2 CYS 12 -2.225 -7.532 -3.111 99 HB3 CYS 12 HB3 CYS 12 -1.805 -7.596 -1.399 100 H HIS 13 H HIS 13 -3.276 -9.120 -1.964 101 HA HIS 13 HA HIS 13 -4.008 -11.166 -3.938 102 HB2 HIS 13 HB2 HIS 13 -3.437 -12.140 -1.582 103 HB3 HIS 13 HB3 HIS 13 -4.998 -11.462 -1.121 104 HD1 HIS 13 HD1 HIS 13 -4.584 -14.535 -1.208 105 HD2 HIS 13 HD2 HIS 13 -6.106 -12.305 -4.384 106 HE1 HIS 13 HE1 HIS 13 -5.912 -16.146 -2.642 107 H ARG 14 H ARG 14 -6.579 -11.472 -2.408 108 HA ARG 14 HA ARG 14 -8.707 -10.631 -2.784 109 HB2 ARG 14 HB2 ARG 14 -7.260 -8.300 -1.508 110 HB3 ARG 14 HB3 ARG 14 -9.011 -8.384 -1.705 111 HG2 ARG 14 HG2 ARG 14 -9.191 -10.266 -0.264 112 HG3 ARG 14 HG3 ARG 14 -7.454 -10.570 -0.318 113 HD2 ARG 14 HD2 ARG 14 -8.860 -8.239 1.005 114 HD3 ARG 14 HD3 ARG 14 -7.944 -9.517 1.798 115 HE ARG 14 HE ARG 14 -6.863 -7.148 0.635 116 HH11 ARG 14 HH21 ARG 14 -6.326 -10.536 1.079 117 HH12 ARG 14 HH22 ARG 14 -4.601 -10.417 0.988 118 HH21 ARG 14 HH11 ARG 14 -4.600 -6.981 0.514 119 HH22 ARG 14 HH12 ARG 14 -3.623 -8.403 0.667 120 H ASP 15 H ASP 15 -6.612 -10.171 -4.943 121 HA ASP 15 HA ASP 15 -6.496 -9.128 -6.991 122 HB2 ASP 15 HB2 ASP 15 -9.037 -9.809 -6.759 123 HB3 ASP 15 HB3 ASP 15 -9.272 -8.065 -6.641 124 H MET 16 H MET 16 -5.144 -7.695 -5.351 125 HA MET 16 HA MET 16 -6.194 -5.033 -4.956 126 HB2 MET 16 HB2 MET 16 -4.467 -4.782 -3.523 127 HB3 MET 16 HB3 MET 16 -4.255 -6.520 -3.709 128 HG2 MET 16 HG2 MET 16 -2.108 -5.567 -4.120 129 HG3 MET 16 HG3 MET 16 -2.752 -5.976 -5.709 130 HE1 MET 16 HE1 MET 16 -0.960 -4.570 -6.655 131 HE2 MET 16 HE2 MET 16 -0.340 -3.790 -5.203 132 HE3 MET 16 HE3 MET 16 -0.828 -2.808 -6.581 133 H LYS 17 H LYS 17 -5.761 -3.222 -6.112 134 HA LYS 17 HA LYS 17 -4.037 -3.503 -8.498 135 HB2 LYS 17 HB2 LYS 17 -6.651 -3.461 -8.813 136 HB3 LYS 17 HB3 LYS 17 -6.450 -1.729 -8.547 137 HG2 LYS 17 HG2 LYS 17 -4.933 -1.535 -10.399 138 HG3 LYS 17 HG3 LYS 17 -4.821 -3.287 -10.568 139 HD2 LYS 17 HD2 LYS 17 -7.163 -3.419 -11.227 140 HD3 LYS 17 HD3 LYS 17 -7.371 -1.690 -10.943 141 HE2 LYS 17 HE2 LYS 17 -5.340 -2.770 -12.904 142 HE3 LYS 17 HE3 LYS 17 -6.996 -2.388 -13.375 143 HZ1 LYS 17 HZ1 LYS 17 -5.976 -0.404 -13.775 144 HZ2 LYS 17 HZ2 LYS 17 -4.838 -0.594 -12.528 145 HZ3 LYS 17 HZ3 LYS 17 -6.439 -0.157 -12.162 146 H PHE 18 H PHE 18 -4.542 -1.971 -5.616 147 HA PHE 18 HA PHE 18 -2.836 0.287 -6.415 148 HB2 PHE 18 HB2 PHE 18 -5.359 0.553 -4.769 149 HB3 PHE 18 HB3 PHE 18 -4.199 1.841 -5.081 150 HD1 PHE 18 HD2 PHE 18 -3.558 2.030 -7.721 151 HD2 PHE 18 HD1 PHE 18 -7.252 0.527 -6.122 152 HE1 PHE 18 HE2 PHE 18 -4.694 2.538 -9.866 153 HE2 PHE 18 HE1 PHE 18 -8.387 1.036 -8.268 154 HZ PHE 18 HZ PHE 18 -7.108 2.041 -10.140 155 H CYS 19 H CYS 19 -1.335 0.840 -4.920 156 HA CYS 19 HA CYS 19 -1.288 -0.765 -2.444 157 HB2 CYS 19 HB2 CYS 19 0.971 0.731 -3.800 158 HB3 CYS 19 HB3 CYS 19 1.115 -0.301 -2.379 159 H TYR 20 H TYR 20 -1.247 0.234 -0.463 160 HA TYR 20 HA TYR 20 -1.294 3.190 -0.501 161 HB2 TYR 20 HB2 TYR 20 -2.982 3.154 1.247 162 HB3 TYR 20 HB3 TYR 20 -3.546 2.229 -0.143 163 HD1 TYR 20 HD1 TYR 20 -2.025 1.937 3.237 164 HD2 TYR 20 HD2 TYR 20 -4.000 -0.104 0.015 165 HE1 TYR 20 HE1 TYR 20 -2.308 -0.063 4.677 166 HE2 TYR 20 HE2 TYR 20 -4.282 -2.104 1.454 167 HH TYR 20 HH TYR 20 -4.350 -2.293 4.342 168 H HIS 21 H HIS 21 -0.327 4.269 1.156 169 HA HIS 21 HA HIS 21 1.354 2.632 2.958 170 HB2 HIS 21 HB2 HIS 21 2.289 4.337 1.107 171 HB3 HIS 21 HB3 HIS 21 2.039 5.476 2.431 172 HD1 HIS 21 HD1 HIS 21 4.746 3.845 1.169 173 HD2 HIS 21 HD2 HIS 21 3.043 3.699 4.970 174 HE1 HIS 21 HE1 HIS 21 6.560 3.026 2.735 175 H ASN 22 H ASN 22 -0.621 2.620 4.342 176 HA ASN 22 HA ASN 22 -1.603 5.032 5.495 177 HB2 ASN 22 HB2 ASN 22 -3.036 3.135 5.578 178 HB3 ASN 22 HB3 ASN 22 -1.785 2.132 6.310 179 HD21 ASN 22 HD21 ASN 22 -3.091 5.406 7.117 180 HD22 ASN 22 HD22 ASN 22 -3.400 5.032 8.744 181 H THR 23 H THR 23 -0.656 6.298 6.947 182 HA THR 23 HA THR 23 1.507 5.158 8.608 183 HB THR 23 HB THR 23 2.334 7.491 8.793 184 HG1 THR 23 HG1 THR 23 -0.063 7.933 7.572 185 HG21 THR 23 HG21 THR 23 3.553 7.182 6.914 186 HG22 THR 23 HG22 THR 23 2.127 7.261 5.880 187 HG23 THR 23 HG23 THR 23 2.564 5.743 6.663 188 H GLY 24 H GLY 24 -1.659 6.317 8.682 189 HA2 GLY 24 HA2 GLY 24 -1.773 7.722 11.116 190 HA3 GLY 24 HA3 GLY 24 -3.108 6.826 10.398 191 H MET 25 H MET 25 -3.925 5.722 12.106 192 HA MET 25 HA MET 25 -3.980 4.396 14.011 193 HB2 MET 25 HB2 MET 25 -3.502 2.933 11.833 194 HB3 MET 25 HB3 MET 25 -2.009 2.585 12.706 195 HG2 MET 25 HG2 MET 25 -3.418 2.008 14.719 196 HG3 MET 25 HG3 MET 25 -4.842 2.152 13.688 197 HE1 MET 25 HE1 MET 25 -5.245 -1.428 13.245 198 HE2 MET 25 HE2 MET 25 -5.853 0.080 12.566 199 HE3 MET 25 HE3 MET 25 -5.583 -0.050 14.303 200 HA PRO 26 HA PRO 26 -0.025 5.680 15.890 201 HB2 PRO 26 HB2 PRO 26 -1.089 6.686 18.174 202 HB3 PRO 26 HB3 PRO 26 -1.057 7.600 16.655 203 HG2 PRO 26 HG2 PRO 26 -3.308 6.188 17.965 204 HG3 PRO 26 HG3 PRO 26 -3.309 7.670 16.996 205 HD2 PRO 26 HD2 PRO 26 -4.047 5.129 16.072 206 HD3 PRO 26 HD3 PRO 26 -3.637 6.520 15.046 207 H PHE 27 H PHE 27 0.426 3.362 16.047 208 HA PHE 27 HA PHE 27 -0.193 2.270 18.727 209 HB2 PHE 27 HB2 PHE 27 -1.347 0.824 17.301 210 HB3 PHE 27 HB3 PHE 27 -0.126 0.940 16.034 211 HD1 PHE 27 HD2 PHE 27 -0.344 -0.063 19.650 212 HD2 PHE 27 HD1 PHE 27 1.289 -0.882 15.763 213 HE1 PHE 27 HE2 PHE 27 0.782 -2.081 20.549 214 HE2 PHE 27 HE1 PHE 27 2.416 -2.901 16.661 215 HZ PHE 27 HZ PHE 27 2.162 -3.500 19.054 216 H ARG 28 H ARG 28 1.526 1.888 19.968 217 HA ARG 28 HA ARG 28 4.167 2.464 19.095 218 HB2 ARG 28 HB2 ARG 28 2.848 1.655 21.587 219 HB3 ARG 28 HB3 ARG 28 4.486 1.023 21.416 220 HG2 ARG 28 HG2 ARG 28 5.394 3.223 21.105 221 HG3 ARG 28 HG3 ARG 28 3.787 3.929 20.937 222 HD2 ARG 28 HD2 ARG 28 4.060 4.416 23.149 223 HD3 ARG 28 HD3 ARG 28 3.533 2.750 23.366 224 HE ARG 28 HE ARG 28 6.226 3.781 23.738 225 HH11 ARG 28 HH21 ARG 28 4.171 1.043 23.228 226 HH12 ARG 28 HH22 ARG 28 5.293 -0.096 23.894 227 HH21 ARG 28 HH11 ARG 28 7.700 2.293 24.614 228 HH22 ARG 28 HH12 ARG 28 7.290 0.611 24.679 229 H ASN 29 H ASN 29 5.969 0.783 19.657 230 HA ASN 29 HA ASN 29 6.903 -1.334 19.386 231 HB2 ASN 29 HB2 ASN 29 4.464 -2.121 19.956 232 HB3 ASN 29 HB3 ASN 29 4.359 -2.403 18.219 233 HD21 ASN 29 HD21 ASN 29 4.350 -4.527 20.225 234 HD22 ASN 29 HD22 ASN 29 5.743 -5.462 19.965 235 H LEU 30 H LEU 30 5.606 0.744 17.180 236 HA LEU 30 HA LEU 30 7.261 -0.342 15.046 237 HB2 LEU 30 HB2 LEU 30 4.317 -0.476 15.027 238 HB3 LEU 30 HB3 LEU 30 5.037 0.216 13.573 239 HG LEU 30 HG LEU 30 5.957 -2.391 14.807 240 HD11 LEU 30 HD11 LEU 30 3.687 -2.741 14.086 241 HD12 LEU 30 HD12 LEU 30 4.734 -3.411 12.835 242 HD13 LEU 30 HD13 LEU 30 3.964 -1.843 12.593 243 HD21 LEU 30 HD21 LEU 30 7.690 -1.913 13.409 244 HD22 LEU 30 HD22 LEU 30 6.766 -0.695 12.530 245 HD23 LEU 30 HD23 LEU 30 6.576 -2.403 12.133 246 H LYS 31 H LYS 31 7.429 1.174 13.210 247 HA LYS 31 HA LYS 31 7.490 3.917 14.197 248 HB2 LYS 31 HB2 LYS 31 9.414 2.799 12.959 249 HB3 LYS 31 HB3 LYS 31 8.424 2.919 11.504 250 HG2 LYS 31 HG2 LYS 31 8.902 5.108 11.271 251 HG3 LYS 31 HG3 LYS 31 8.460 5.440 12.946 252 HD2 LYS 31 HD2 LYS 31 10.645 4.884 13.735 253 HD3 LYS 31 HD3 LYS 31 11.097 4.170 12.187 254 HE2 LYS 31 HE2 LYS 31 10.209 6.987 12.049 255 HE3 LYS 31 HE3 LYS 31 11.720 6.723 12.918 256 HZ1 LYS 31 HZ1 LYS 31 11.441 5.270 10.427 257 HZ2 LYS 31 HZ2 LYS 31 12.784 6.093 11.063 258 HZ3 LYS 31 HZ3 LYS 31 11.554 6.955 10.269 259 H LEU 32 H LEU 32 4.888 3.072 13.882 260 HA LEU 32 HA LEU 32 2.908 3.461 12.754 261 HB2 LEU 32 HB2 LEU 32 4.330 6.049 12.089 262 HB3 LEU 32 HB3 LEU 32 2.587 5.791 12.170 263 HG LEU 32 HG LEU 32 4.033 4.970 14.601 264 HD11 LEU 32 HD11 LEU 32 3.876 7.902 13.831 265 HD12 LEU 32 HD12 LEU 32 5.362 6.961 13.958 266 HD13 LEU 32 HD13 LEU 32 4.390 7.272 15.397 267 HD21 LEU 32 HD21 LEU 32 2.140 6.107 15.653 268 HD22 LEU 32 HD22 LEU 32 1.552 5.092 14.336 269 HD23 LEU 32 HD23 LEU 32 1.689 6.836 14.111 270 H ILE 33 H ILE 33 3.799 1.745 11.183 271 HA ILE 33 HA ILE 33 3.698 2.904 8.476 272 HB ILE 33 HB ILE 33 5.756 1.023 9.593 273 HG12 ILE 33 HG12 ILE 33 6.280 3.429 9.406 274 HG13 ILE 33 HG13 ILE 33 7.262 2.485 8.287 275 HG21 ILE 33 HG21 ILE 33 6.353 0.602 7.135 276 HG22 ILE 33 HG22 ILE 33 4.729 1.177 6.756 277 HG23 ILE 33 HG23 ILE 33 4.945 -0.257 7.760 278 HD11 ILE 33 HD11 ILE 33 5.091 3.008 6.723 279 HD12 ILE 33 HD12 ILE 33 6.537 4.016 6.758 280 HD13 ILE 33 HD13 ILE 33 5.130 4.460 7.723 281 H LEU 34 H LEU 34 1.706 2.218 7.909 282 HA LEU 34 HA LEU 34 1.115 -0.665 8.214 283 HB2 LEU 34 HB2 LEU 34 -0.543 1.778 8.521 284 HB3 LEU 34 HB3 LEU 34 -1.313 0.398 7.738 285 HG LEU 34 HG LEU 34 0.260 -0.215 10.179 286 HD11 LEU 34 HD11 LEU 34 -2.460 1.102 10.387 287 HD12 LEU 34 HD12 LEU 34 -0.947 1.955 10.689 288 HD13 LEU 34 HD13 LEU 34 -1.410 0.595 11.711 289 HD21 LEU 34 HD21 LEU 34 -1.163 -1.801 8.746 290 HD22 LEU 34 HD22 LEU 34 -2.568 -0.977 9.421 291 HD23 LEU 34 HD23 LEU 34 -1.459 -1.842 10.484 292 H GLN 35 H GLN 35 2.532 -0.629 6.164 293 HA GLN 35 HA GLN 35 1.261 0.338 3.756 294 HB2 GLN 35 HB2 GLN 35 3.806 0.019 4.248 295 HB3 GLN 35 HB3 GLN 35 3.504 -1.654 3.780 296 HG2 GLN 35 HG2 GLN 35 2.983 0.823 2.118 297 HG3 GLN 35 HG3 GLN 35 4.177 -0.434 1.802 298 HE21 GLN 35 HE21 GLN 35 1.424 0.566 0.494 299 HE22 GLN 35 HE22 GLN 35 0.683 -0.909 0.099 300 H GLY 36 H GLY 36 -0.056 -0.745 2.423 301 HA2 GLY 36 HA2 GLY 36 -0.124 -3.613 2.251 302 HA3 GLY 36 HA3 GLY 36 -1.515 -2.961 3.114 303 H CYS 37 H CYS 37 -1.845 -4.344 0.733 304 HA CYS 37 HA CYS 37 -2.380 -2.233 -1.259 305 HB2 CYS 37 HB2 CYS 37 -2.808 -4.992 -2.115 306 HB3 CYS 37 HB3 CYS 37 -1.850 -3.716 -2.866 307 H SER 38 H SER 38 -4.389 -2.469 -2.525 308 HA SER 38 HA SER 38 -6.568 -3.987 -1.395 309 HB2 SER 38 HB2 SER 38 -6.116 -1.688 -0.057 310 HB3 SER 38 HB3 SER 38 -7.156 -1.083 -1.343 311 HG SER 38 HG SER 38 -7.742 -3.374 0.225 312 H SER 39 H SER 39 -8.534 -3.778 -2.636 313 HA SER 39 HA SER 39 -8.050 -3.460 -5.428 314 HB2 SER 39 HB2 SER 39 -9.700 -5.039 -4.966 315 HB3 SER 39 HB3 SER 39 -10.463 -4.033 -3.739 316 HG SER 39 HG SER 39 -11.513 -4.206 -5.892 317 H SER 40 H SER 40 -9.786 -1.546 -3.001 318 HA SER 40 HA SER 40 -9.719 0.740 -4.872 319 HB2 SER 40 HB2 SER 40 -11.991 0.365 -4.908 320 HB3 SER 40 HB3 SER 40 -12.002 -0.379 -3.311 321 HG SER 40 HG SER 40 -11.708 1.685 -2.419 322 H CYS 41 H CYS 41 -7.896 1.623 -3.899 323 HA CYS 41 HA CYS 41 -7.673 1.973 -1.062 324 HB2 CYS 41 HB2 CYS 41 -5.694 1.818 -2.531 325 HB3 CYS 41 HB3 CYS 41 -6.160 3.331 -3.307 326 H SER 42 H SER 42 -7.562 4.047 0.023 327 HA SER 42 HA SER 42 -9.390 6.043 -1.172 328 HB2 SER 42 HB2 SER 42 -10.445 4.960 0.732 329 HB3 SER 42 HB3 SER 42 -9.028 5.262 1.732 330 HG SER 42 HG SER 42 -10.278 6.954 2.194 331 H GLU 43 H GLU 43 -7.555 7.123 -2.104 332 HA GLU 43 HA GLU 43 -5.260 7.964 -0.828 333 HB2 GLU 43 HB2 GLU 43 -5.787 8.278 -3.251 334 HB3 GLU 43 HB3 GLU 43 -6.856 9.609 -2.803 335 HG2 GLU 43 HG2 GLU 43 -5.069 10.914 -1.971 336 HG3 GLU 43 HG3 GLU 43 -3.977 9.532 -1.907 337 H THR 44 H THR 44 -5.114 8.913 1.094 338 HA THR 44 HA THR 44 -6.761 11.305 1.600 339 HB THR 44 HB THR 44 -6.214 9.826 4.039 340 HG1 THR 44 HG1 THR 44 -6.653 7.930 3.270 341 HG21 THR 44 HG21 THR 44 -8.535 10.298 4.453 342 HG22 THR 44 HG22 THR 44 -8.846 10.555 2.736 343 HG23 THR 44 HG23 THR 44 -7.859 11.707 3.636 344 H GLU 45 H GLU 45 -5.792 11.957 4.077 345 HA GLU 45 HA GLU 45 -3.152 12.931 3.413 346 HB2 GLU 45 HB2 GLU 45 -4.514 13.213 6.090 347 HB3 GLU 45 HB3 GLU 45 -3.353 14.301 5.329 348 HG2 GLU 45 HG2 GLU 45 -6.272 13.940 4.750 349 HG3 GLU 45 HG3 GLU 45 -5.344 15.428 4.919 350 H ASN 46 H ASN 46 -4.567 10.660 5.731 351 HA ASN 46 HA ASN 46 -1.913 9.960 6.746 352 HB2 ASN 46 HB2 ASN 46 -4.375 10.132 7.960 353 HB3 ASN 46 HB3 ASN 46 -4.207 8.398 7.692 354 HD21 ASN 46 HD21 ASN 46 -4.128 9.423 10.334 355 HD22 ASN 46 HD22 ASN 46 -2.551 9.256 10.941 356 H ASN 47 H ASN 47 -4.476 8.720 4.718 357 HA ASN 47 HA ASN 47 -2.872 6.282 4.240 358 HB2 ASN 47 HB2 ASN 47 -4.869 5.474 5.139 359 HB3 ASN 47 HB3 ASN 47 -5.838 6.721 4.357 360 HD21 ASN 47 HD21 ASN 47 -6.590 6.317 2.211 361 HD22 ASN 47 HD22 ASN 47 -6.285 4.866 1.385 362 H LYS 48 H LYS 48 -1.672 6.931 2.504 363 HA LYS 48 HA LYS 48 -2.906 8.342 0.287 364 HB2 LYS 48 HB2 LYS 48 -0.120 7.189 0.574 365 HB3 LYS 48 HB3 LYS 48 -0.664 8.269 -0.712 366 HG2 LYS 48 HG2 LYS 48 -0.142 10.021 0.606 367 HG3 LYS 48 HG3 LYS 48 -1.412 9.510 1.716 368 HD2 LYS 48 HD2 LYS 48 0.279 7.892 2.718 369 HD3 LYS 48 HD3 LYS 48 1.511 8.734 1.777 370 HE2 LYS 48 HE2 LYS 48 1.402 10.625 3.070 371 HE3 LYS 48 HE3 LYS 48 -0.324 10.439 3.379 372 HZ1 LYS 48 HZ1 LYS 48 1.952 9.163 4.737 373 HZ2 LYS 48 HZ2 LYS 48 0.443 8.382 4.715 374 HZ3 LYS 48 HZ3 LYS 48 0.593 9.926 5.408 375 H CYS 49 H CYS 49 -2.233 7.422 -1.988 376 HA CYS 49 HA CYS 49 -2.665 4.510 -2.092 377 HB2 CYS 49 HB2 CYS 49 -4.288 6.521 -3.671 378 HB3 CYS 49 HB3 CYS 49 -4.417 4.766 -3.774 379 H CYS 50 H CYS 50 -1.539 3.516 -3.656 380 HA CYS 50 HA CYS 50 -0.105 5.214 -5.609 381 HB2 CYS 50 HB2 CYS 50 0.743 2.939 -3.928 382 HB3 CYS 50 HB3 CYS 50 1.280 2.868 -5.606 383 H SER 51 H SER 51 0.624 3.703 -7.558 384 HA SER 51 HA SER 51 -1.426 1.770 -8.299 385 HB2 SER 51 HB2 SER 51 -2.514 3.801 -9.008 386 HB3 SER 51 HB3 SER 51 -1.042 4.376 -9.783 387 HG SER 51 HG SER 51 -1.728 1.897 -10.635 388 H THR 52 H THR 52 1.492 1.812 -7.851 389 HA THR 52 HA THR 52 2.255 0.582 -10.404 390 HB THR 52 HB THR 52 4.071 2.535 -8.978 391 HG1 THR 52 HG1 THR 52 1.975 3.086 -10.414 392 HG21 THR 52 HG21 THR 52 4.530 0.516 -10.892 393 HG22 THR 52 HG22 THR 52 5.646 1.788 -10.396 394 HG23 THR 52 HG23 THR 52 4.580 2.040 -11.778 395 H ASP 53 H ASP 53 3.967 -0.955 -10.211 396 HA ASP 53 HA ASP 53 3.946 -2.397 -7.752 397 HB2 ASP 53 HB2 ASP 53 6.092 -3.407 -9.122 398 HB3 ASP 53 HB3 ASP 53 4.422 -3.927 -9.346 399 H ARG 54 H ARG 54 5.232 -2.223 -6.022 400 HA ARG 54 HA ARG 54 7.003 -1.627 -4.676 401 HB2 ARG 54 HB2 ARG 54 8.201 -2.209 -7.092 402 HB3 ARG 54 HB3 ARG 54 8.746 -0.560 -6.779 403 HG2 ARG 54 HG2 ARG 54 9.667 -1.171 -4.655 404 HG3 ARG 54 HG3 ARG 54 8.881 -2.749 -4.693 405 HD2 ARG 54 HD2 ARG 54 11.418 -2.552 -5.338 406 HD3 ARG 54 HD3 ARG 54 10.360 -3.602 -6.274 407 HE ARG 54 HE ARG 54 11.382 -0.972 -7.123 408 HH11 ARG 54 HH21 ARG 54 9.586 -3.873 -7.731 409 HH12 ARG 54 HH22 ARG 54 9.550 -3.650 -9.447 410 HH21 ARG 54 HH11 ARG 54 11.335 -0.680 -9.370 411 HH22 ARG 54 HH12 ARG 54 10.539 -1.845 -10.375 412 H CYS 55 H CYS 55 4.883 0.203 -5.532 413 HA CYS 55 HA CYS 55 6.036 2.818 -5.874 414 HB2 CYS 55 HB2 CYS 55 3.723 2.117 -6.637 415 HB3 CYS 55 HB3 CYS 55 3.239 2.155 -4.942 416 H ASN 56 H ASN 56 4.860 0.876 -3.194 417 HA ASN 56 HA ASN 56 5.264 3.060 -1.294 418 HB2 ASN 56 HB2 ASN 56 4.467 1.303 0.357 419 HB3 ASN 56 HB3 ASN 56 3.303 1.761 -0.886 420 HD21 ASN 56 HD21 ASN 56 5.805 -0.073 -2.271 421 HD22 ASN 56 HD22 ASN 56 5.029 -1.583 -2.265 422 H LYS 57 H LYS 57 7.643 2.774 -2.236 423 HA LYS 57 HA LYS 57 9.452 0.886 -1.750 424 HB2 LYS 57 HB2 LYS 57 10.985 2.758 -0.816 425 HB3 LYS 57 HB3 LYS 57 10.336 2.945 -2.445 426 HG2 LYS 57 HG2 LYS 57 9.023 4.708 -1.856 427 HG3 LYS 57 HG3 LYS 57 8.593 3.990 -0.303 428 HD2 LYS 57 HD2 LYS 57 10.788 4.612 0.612 429 HD3 LYS 57 HD3 LYS 57 11.250 5.304 -0.943 430 HE2 LYS 57 HE2 LYS 57 9.039 6.704 -0.648 431 HE3 LYS 57 HE3 LYS 57 9.254 6.313 1.058 432 HZ1 LYS 57 HZ1 LYS 57 11.658 7.188 -0.271 433 HZ2 LYS 57 HZ2 LYS 57 11.009 7.660 1.227 434 HZ3 LYS 57 HZ3 LYS 57 10.441 8.368 -0.209 Start of MODEL 2 1 H1 LEU 1 H1 LEU 1 3.526 -4.595 -11.772 2 H2 LEU 1 H2 LEU 1 4.487 -5.454 -10.665 3 H3 LEU 1 H3 LEU 1 3.936 -3.893 -10.283 4 HA LEU 1 HA LEU 1 1.735 -4.587 -10.018 5 HB2 LEU 1 HB2 LEU 1 2.417 -6.405 -12.031 6 HB3 LEU 1 HB3 LEU 1 2.048 -7.417 -10.636 7 HG LEU 1 HG LEU 1 0.271 -5.262 -11.814 8 HD11 LEU 1 HD11 LEU 1 -1.205 -7.507 -11.836 9 HD12 LEU 1 HD12 LEU 1 0.394 -8.237 -11.973 10 HD13 LEU 1 HD13 LEU 1 -0.146 -7.069 -13.177 11 HD21 LEU 1 HD21 LEU 1 0.275 -6.706 -9.212 12 HD22 LEU 1 HD22 LEU 1 -1.283 -6.570 -10.027 13 HD23 LEU 1 HD23 LEU 1 -0.373 -5.117 -9.615 14 H LYS 2 H LYS 2 3.677 -4.246 -8.224 15 HA LYS 2 HA LYS 2 3.044 -6.195 -6.196 16 HB2 LYS 2 HB2 LYS 2 5.305 -6.932 -5.743 17 HB3 LYS 2 HB3 LYS 2 4.921 -7.297 -7.425 18 HG2 LYS 2 HG2 LYS 2 5.968 -4.653 -7.364 19 HG3 LYS 2 HG3 LYS 2 7.045 -5.660 -6.395 20 HD2 LYS 2 HD2 LYS 2 7.450 -7.153 -8.198 21 HD3 LYS 2 HD3 LYS 2 6.086 -6.528 -9.125 22 HE2 LYS 2 HE2 LYS 2 7.405 -4.252 -8.975 23 HE3 LYS 2 HE3 LYS 2 8.789 -5.302 -8.677 24 HZ1 LYS 2 HZ1 LYS 2 7.042 -5.186 -11.054 25 HZ2 LYS 2 HZ2 LYS 2 7.970 -6.568 -10.715 26 HZ3 LYS 2 HZ3 LYS 2 8.732 -5.073 -10.973 27 H CYS 3 H CYS 3 3.851 -5.551 -4.084 28 HA CYS 3 HA CYS 3 5.128 -2.965 -3.817 29 HB2 CYS 3 HB2 CYS 3 2.257 -3.345 -2.937 30 HB3 CYS 3 HB3 CYS 3 3.265 -1.947 -2.559 31 H TYR 4 H TYR 4 4.321 -2.432 -1.190 32 HA TYR 4 HA TYR 4 5.670 -4.633 0.204 33 HB2 TYR 4 HB2 TYR 4 5.241 -1.722 0.828 34 HB3 TYR 4 HB3 TYR 4 5.756 -2.861 2.074 35 HD1 TYR 4 HD1 TYR 4 7.741 -4.457 1.386 36 HD2 TYR 4 HD2 TYR 4 6.874 -0.699 -0.500 37 HE1 TYR 4 HE1 TYR 4 10.063 -4.353 0.529 38 HE2 TYR 4 HE2 TYR 4 9.199 -0.590 -1.355 39 HH TYR 4 HH TYR 4 11.319 -3.284 -1.252 40 H GLN 5 H GLN 5 4.012 -6.087 0.490 41 HA GLN 5 HA GLN 5 1.512 -5.263 1.724 42 HB2 GLN 5 HB2 GLN 5 1.832 -7.146 -0.022 43 HB3 GLN 5 HB3 GLN 5 2.402 -8.112 1.339 44 HG2 GLN 5 HG2 GLN 5 0.259 -7.450 2.546 45 HG3 GLN 5 HG3 GLN 5 -0.308 -6.811 1.005 46 HE21 GLN 5 HE21 GLN 5 -1.365 -8.293 -0.324 47 HE22 GLN 5 HE22 GLN 5 -1.251 -9.980 -0.176 48 H HIS 6 H HIS 6 4.379 -7.161 2.607 49 HA HIS 6 HA HIS 6 3.609 -6.846 5.445 50 HB2 HIS 6 HB2 HIS 6 4.672 -9.274 4.011 51 HB3 HIS 6 HB3 HIS 6 4.876 -9.070 5.751 52 HD1 HIS 6 HD1 HIS 6 1.850 -8.199 3.604 53 HD2 HIS 6 HD2 HIS 6 2.879 -10.695 6.781 54 HE1 HIS 6 HE1 HIS 6 -0.297 -9.301 4.377 55 H GLY 7 H GLY 7 5.157 -4.953 4.256 56 HA2 GLY 7 HA2 GLY 7 7.097 -3.793 4.767 57 HA3 GLY 7 HA3 GLY 7 7.613 -5.161 5.752 58 H LYS 8 H LYS 8 6.887 -6.770 3.157 59 HA LYS 8 HA LYS 8 9.480 -6.296 1.809 60 HB2 LYS 8 HB2 LYS 8 8.237 -8.969 1.575 61 HB3 LYS 8 HB3 LYS 8 9.929 -8.524 1.811 62 HG2 LYS 8 HG2 LYS 8 9.284 -7.854 4.187 63 HG3 LYS 8 HG3 LYS 8 7.742 -8.659 3.895 64 HD2 LYS 8 HD2 LYS 8 9.799 -10.427 3.021 65 HD3 LYS 8 HD3 LYS 8 10.254 -9.840 4.622 66 HE2 LYS 8 HE2 LYS 8 8.232 -10.614 5.599 67 HE3 LYS 8 HE3 LYS 8 7.467 -10.842 4.026 68 HZ1 LYS 8 HZ1 LYS 8 9.156 -12.563 3.560 69 HZ2 LYS 8 HZ2 LYS 8 8.143 -12.955 4.867 70 HZ3 LYS 8 HZ3 LYS 8 9.725 -12.405 5.150 71 H VAL 9 H VAL 9 9.531 -6.929 -0.478 72 HA VAL 9 HA VAL 9 7.262 -5.883 -1.881 73 HB VAL 9 HB VAL 9 9.673 -7.319 -3.014 74 HG11 VAL 9 HG11 VAL 9 7.923 -5.188 -4.264 75 HG12 VAL 9 HG12 VAL 9 7.621 -6.913 -4.476 76 HG13 VAL 9 HG13 VAL 9 9.125 -6.202 -5.061 77 HG21 VAL 9 HG21 VAL 9 9.308 -4.335 -2.673 78 HG22 VAL 9 HG22 VAL 9 10.780 -5.207 -3.099 79 HG23 VAL 9 HG23 VAL 9 10.128 -5.322 -1.464 80 H VAL 10 H VAL 10 5.448 -7.081 -1.896 81 HA VAL 10 HA VAL 10 5.673 -9.857 -2.889 82 HB VAL 10 HB VAL 10 3.300 -9.582 -1.333 83 HG11 VAL 10 HG11 VAL 10 4.500 -11.677 -1.761 84 HG12 VAL 10 HG12 VAL 10 4.376 -11.398 -0.024 85 HG13 VAL 10 HG13 VAL 10 5.895 -11.080 -0.862 86 HG21 VAL 10 HG21 VAL 10 5.846 -8.688 0.054 87 HG22 VAL 10 HG22 VAL 10 4.362 -9.145 0.889 88 HG23 VAL 10 HG23 VAL 10 4.381 -7.732 -0.165 89 H THR 11 H THR 11 3.863 -10.608 -4.116 90 HA THR 11 HA THR 11 2.665 -8.500 -5.718 91 HB THR 11 HB THR 11 2.723 -11.508 -5.904 92 HG1 THR 11 HG1 THR 11 3.620 -10.783 -7.997 93 HG21 THR 11 HG21 THR 11 1.556 -10.777 -8.224 94 HG22 THR 11 HG22 THR 11 0.853 -9.565 -7.153 95 HG23 THR 11 HG23 THR 11 0.632 -11.280 -6.809 96 H CYS 12 H CYS 12 1.025 -7.495 -4.662 97 HA CYS 12 HA CYS 12 -0.739 -8.546 -2.807 98 HB2 CYS 12 HB2 CYS 12 -1.361 -6.436 -4.889 99 HB3 CYS 12 HB3 CYS 12 -2.230 -6.693 -3.375 100 H HIS 13 H HIS 13 -2.842 -9.393 -2.920 101 HA HIS 13 HA HIS 13 -3.350 -11.460 -4.614 102 HB2 HIS 13 HB2 HIS 13 -4.747 -10.223 -2.586 103 HB3 HIS 13 HB3 HIS 13 -5.806 -9.997 -3.977 104 HD1 HIS 13 HD1 HIS 13 -6.424 -12.004 -1.606 105 HD2 HIS 13 HD2 HIS 13 -4.746 -13.056 -5.275 106 HE1 HIS 13 HE1 HIS 13 -6.899 -14.471 -1.930 107 H ARG 14 H ARG 14 -5.035 -11.706 -6.302 108 HA ARG 14 HA ARG 14 -4.505 -9.974 -8.498 109 HB2 ARG 14 HB2 ARG 14 -5.034 -12.367 -8.779 110 HB3 ARG 14 HB3 ARG 14 -6.666 -12.072 -8.176 111 HG2 ARG 14 HG2 ARG 14 -7.118 -10.557 -10.040 112 HG3 ARG 14 HG3 ARG 14 -5.463 -10.745 -10.624 113 HD2 ARG 14 HD2 ARG 14 -5.893 -13.204 -10.865 114 HD3 ARG 14 HD3 ARG 14 -7.577 -12.907 -10.443 115 HE ARG 14 HE ARG 14 -7.891 -11.898 -12.544 116 HH11 ARG 14 HH21 ARG 14 -4.584 -12.698 -11.919 117 HH12 ARG 14 HH22 ARG 14 -4.075 -12.468 -13.559 118 HH21 ARG 14 HH11 ARG 14 -7.232 -11.595 -14.697 119 HH22 ARG 14 HH12 ARG 14 -5.573 -11.840 -15.130 120 H ASP 15 H ASP 15 -6.749 -9.849 -5.923 121 HA ASP 15 HA ASP 15 -8.775 -8.325 -7.309 122 HB2 ASP 15 HB2 ASP 15 -8.295 -9.182 -4.481 123 HB3 ASP 15 HB3 ASP 15 -9.436 -7.878 -4.800 124 H MET 16 H MET 16 -6.114 -7.637 -5.069 125 HA MET 16 HA MET 16 -6.637 -4.850 -4.840 126 HB2 MET 16 HB2 MET 16 -4.240 -6.587 -4.279 127 HB3 MET 16 HB3 MET 16 -4.182 -4.837 -4.077 128 HG2 MET 16 HG2 MET 16 -5.523 -4.874 -2.231 129 HG3 MET 16 HG3 MET 16 -6.531 -6.173 -2.868 130 HE1 MET 16 HE1 MET 16 -5.184 -7.030 0.616 131 HE2 MET 16 HE2 MET 16 -6.371 -7.916 -0.340 132 HE3 MET 16 HE3 MET 16 -6.381 -6.154 -0.348 133 H LYS 17 H LYS 17 -6.251 -3.268 -6.250 134 HA LYS 17 HA LYS 17 -4.288 -3.755 -8.410 135 HB2 LYS 17 HB2 LYS 17 -7.065 -2.656 -8.490 136 HB3 LYS 17 HB3 LYS 17 -5.871 -1.992 -9.606 137 HG2 LYS 17 HG2 LYS 17 -5.319 -4.384 -10.262 138 HG3 LYS 17 HG3 LYS 17 -6.742 -4.879 -9.344 139 HD2 LYS 17 HD2 LYS 17 -8.059 -3.191 -10.743 140 HD3 LYS 17 HD3 LYS 17 -6.637 -3.093 -11.782 141 HE2 LYS 17 HE2 LYS 17 -6.830 -5.737 -11.738 142 HE3 LYS 17 HE3 LYS 17 -8.513 -5.387 -11.347 143 HZ1 LYS 17 HZ1 LYS 17 -8.680 -4.033 -13.315 144 HZ2 LYS 17 HZ2 LYS 17 -8.130 -5.583 -13.742 145 HZ3 LYS 17 HZ3 LYS 17 -7.042 -4.280 -13.676 146 H PHE 18 H PHE 18 -4.584 -2.197 -5.648 147 HA PHE 18 HA PHE 18 -2.923 0.042 -6.528 148 HB2 PHE 18 HB2 PHE 18 -5.349 0.517 -4.793 149 HB3 PHE 18 HB3 PHE 18 -4.245 1.725 -5.453 150 HD1 PHE 18 HD1 PHE 18 -4.057 1.917 -8.009 151 HD2 PHE 18 HD2 PHE 18 -7.228 -0.197 -6.029 152 HE1 PHE 18 HE1 PHE 18 -5.432 2.050 -10.070 153 HE2 PHE 18 HE2 PHE 18 -8.603 -0.065 -8.089 154 HZ PHE 18 HZ PHE 18 -7.704 1.059 -10.110 155 H CYS 19 H CYS 19 -1.358 0.516 -5.113 156 HA CYS 19 HA CYS 19 -1.327 -0.962 -2.573 157 HB2 CYS 19 HB2 CYS 19 0.953 0.563 -3.840 158 HB3 CYS 19 HB3 CYS 19 1.044 -0.668 -2.580 159 H TYR 20 H TYR 20 -1.181 0.098 -0.603 160 HA TYR 20 HA TYR 20 -1.257 3.041 -0.754 161 HB2 TYR 20 HB2 TYR 20 -2.939 3.116 0.959 162 HB3 TYR 20 HB3 TYR 20 -3.498 2.009 -0.292 163 HD1 TYR 20 HD1 TYR 20 -1.816 2.168 3.028 164 HD2 TYR 20 HD2 TYR 20 -3.944 -0.271 0.203 165 HE1 TYR 20 HE1 TYR 20 -1.999 0.368 4.721 166 HE2 TYR 20 HE2 TYR 20 -4.125 -2.075 1.898 167 HH TYR 20 HH TYR 20 -3.995 -2.445 4.207 168 H HIS 21 H HIS 21 -0.346 4.200 0.912 169 HA HIS 21 HA HIS 21 1.473 2.673 2.677 170 HB2 HIS 21 HB2 HIS 21 2.669 4.056 1.043 171 HB3 HIS 21 HB3 HIS 21 1.760 5.475 1.559 172 HD1 HIS 21 HD1 HIS 21 2.057 4.095 4.649 173 HD2 HIS 21 HD2 HIS 21 4.978 5.611 2.090 174 HE1 HIS 21 HE1 HIS 21 4.045 4.686 6.102 175 H ASN 22 H ASN 22 0.140 2.486 4.464 176 HA ASN 22 HA ASN 22 -1.219 4.842 5.494 177 HB2 ASN 22 HB2 ASN 22 -2.409 2.735 5.600 178 HB3 ASN 22 HB3 ASN 22 -1.085 1.994 6.498 179 HD21 ASN 22 HD21 ASN 22 -0.520 3.295 8.632 180 HD22 ASN 22 HD22 ASN 22 -1.854 3.845 9.526 181 H THR 23 H THR 23 -0.625 6.040 7.194 182 HA THR 23 HA THR 23 1.910 5.330 8.536 183 HB THR 23 HB THR 23 2.513 7.522 8.492 184 HG1 THR 23 HG1 THR 23 0.515 7.891 9.841 185 HG21 THR 23 HG21 THR 23 1.920 7.040 6.154 186 HG22 THR 23 HG22 THR 23 1.601 8.731 6.540 187 HG23 THR 23 HG23 THR 23 0.268 7.579 6.456 188 H GLY 24 H GLY 24 -1.461 5.918 8.938 189 HA2 GLY 24 HA2 GLY 24 -2.849 5.812 10.768 190 HA3 GLY 24 HA3 GLY 24 -1.560 4.914 11.561 191 H MET 25 H MET 25 -2.258 6.031 13.512 192 HA MET 25 HA MET 25 -1.982 8.876 13.750 193 HB2 MET 25 HB2 MET 25 -2.371 6.613 15.692 194 HB3 MET 25 HB3 MET 25 -2.034 8.246 16.267 195 HG2 MET 25 HG2 MET 25 -3.997 9.121 15.209 196 HG3 MET 25 HG3 MET 25 -4.248 7.632 14.298 197 HE1 MET 25 HE1 MET 25 -6.032 6.231 14.818 198 HE2 MET 25 HE2 MET 25 -6.217 5.392 16.355 199 HE3 MET 25 HE3 MET 25 -4.697 5.275 15.472 200 HA PRO 26 HA PRO 26 2.271 9.696 14.400 201 HB2 PRO 26 HB2 PRO 26 1.479 10.497 17.178 202 HB3 PRO 26 HB3 PRO 26 2.481 11.365 16.000 203 HG2 PRO 26 HG2 PRO 26 -0.085 12.009 16.461 204 HG3 PRO 26 HG3 PRO 26 0.679 12.196 14.874 205 HD2 PRO 26 HD2 PRO 26 -1.388 10.270 15.719 206 HD3 PRO 26 HD3 PRO 26 -0.914 10.765 14.081 207 H PHE 27 H PHE 27 4.132 9.107 15.859 208 HA PHE 27 HA PHE 27 4.588 6.532 16.289 209 HB2 PHE 27 HB2 PHE 27 6.073 8.528 16.942 210 HB3 PHE 27 HB3 PHE 27 5.291 8.434 18.519 211 HD1 PHE 27 HD1 PHE 27 7.167 6.392 16.013 212 HD2 PHE 27 HD2 PHE 27 5.996 6.848 20.121 213 HE1 PHE 27 HE1 PHE 27 8.677 4.531 16.650 214 HE2 PHE 27 HE2 PHE 27 7.506 4.986 20.758 215 HZ PHE 27 HZ PHE 27 8.848 3.828 19.022 216 H ARG 28 H ARG 28 3.317 4.977 17.069 217 HA ARG 28 HA ARG 28 2.088 5.383 19.721 218 HB2 ARG 28 HB2 ARG 28 0.691 5.143 17.252 219 HB3 ARG 28 HB3 ARG 28 0.430 3.651 18.157 220 HG2 ARG 28 HG2 ARG 28 -0.425 4.839 20.051 221 HG3 ARG 28 HG3 ARG 28 0.115 6.390 19.405 222 HD2 ARG 28 HD2 ARG 28 -2.394 5.764 19.153 223 HD3 ARG 28 HD3 ARG 28 -1.555 6.430 17.755 224 HE ARG 28 HE ARG 28 -1.791 4.373 16.697 225 HH11 ARG 28 HH21 ARG 28 -2.396 4.116 20.093 226 HH12 ARG 28 HH22 ARG 28 -2.973 2.485 20.008 227 HH21 ARG 28 HH11 ARG 28 -2.549 2.232 16.576 228 HH22 ARG 28 HH12 ARG 28 -3.060 1.418 18.018 229 H ASN 29 H ASN 29 3.487 3.235 17.337 230 HA ASN 29 HA ASN 29 3.987 1.281 19.471 231 HB2 ASN 29 HB2 ASN 29 3.504 -0.421 17.430 232 HB3 ASN 29 HB3 ASN 29 2.289 0.032 18.623 233 HD21 ASN 29 HD21 ASN 29 3.056 0.106 15.266 234 HD22 ASN 29 HD22 ASN 29 1.779 1.109 14.774 235 H LEU 30 H LEU 30 4.437 0.458 16.137 236 HA LEU 30 HA LEU 30 7.333 0.456 16.543 237 HB2 LEU 30 HB2 LEU 30 5.735 -0.590 14.197 238 HB3 LEU 30 HB3 LEU 30 7.429 -0.922 14.556 239 HG LEU 30 HG LEU 30 5.462 -1.525 16.707 240 HD11 LEU 30 HD11 LEU 30 4.277 -2.405 14.771 241 HD12 LEU 30 HD12 LEU 30 4.995 -3.752 15.655 242 HD13 LEU 30 HD13 LEU 30 5.751 -3.168 14.172 243 HD21 LEU 30 HD21 LEU 30 7.094 -3.007 17.381 244 HD22 LEU 30 HD22 LEU 30 8.112 -1.901 16.457 245 HD23 LEU 30 HD23 LEU 30 7.559 -3.409 15.727 246 H LYS 31 H LYS 31 7.866 0.576 13.673 247 HA LYS 31 HA LYS 31 8.236 3.416 13.450 248 HB2 LYS 31 HB2 LYS 31 8.880 1.062 11.684 249 HB3 LYS 31 HB3 LYS 31 9.121 2.718 11.129 250 HG2 LYS 31 HG2 LYS 31 11.205 2.196 12.068 251 HG3 LYS 31 HG3 LYS 31 10.391 3.028 13.394 252 HD2 LYS 31 HD2 LYS 31 9.562 0.452 13.795 253 HD3 LYS 31 HD3 LYS 31 11.185 0.196 13.154 254 HE2 LYS 31 HE2 LYS 31 11.768 2.157 14.871 255 HE3 LYS 31 HE3 LYS 31 10.336 1.530 15.687 256 HZ1 LYS 31 HZ1 LYS 31 11.698 0.006 16.531 257 HZ2 LYS 31 HZ2 LYS 31 12.947 0.377 15.439 258 HZ3 LYS 31 HZ3 LYS 31 11.716 -0.705 14.990 259 H LEU 32 H LEU 32 5.451 2.446 13.510 260 HA LEU 32 HA LEU 32 3.459 2.649 12.346 261 HB2 LEU 32 HB2 LEU 32 4.936 5.112 11.390 262 HB3 LEU 32 HB3 LEU 32 3.191 4.874 11.319 263 HG LEU 32 HG LEU 32 4.753 4.705 13.904 264 HD11 LEU 32 HD11 LEU 32 4.834 6.953 14.044 265 HD12 LEU 32 HD12 LEU 32 3.131 7.091 13.606 266 HD13 LEU 32 HD13 LEU 32 4.362 7.016 12.346 267 HD21 LEU 32 HD21 LEU 32 2.228 5.506 14.513 268 HD22 LEU 32 HD22 LEU 32 2.714 3.812 14.447 269 HD23 LEU 32 HD23 LEU 32 1.908 4.553 13.064 270 H ILE 33 H ILE 33 4.170 0.724 11.021 271 HA ILE 33 HA ILE 33 4.340 1.515 8.176 272 HB ILE 33 HB ILE 33 5.752 -0.754 9.588 273 HG12 ILE 33 HG12 ILE 33 6.650 1.718 9.340 274 HG13 ILE 33 HG13 ILE 33 7.725 0.357 9.017 275 HG21 ILE 33 HG21 ILE 33 6.574 -1.200 7.169 276 HG22 ILE 33 HG22 ILE 33 5.151 -0.287 6.668 277 HG23 ILE 33 HG23 ILE 33 4.963 -1.769 7.604 278 HD11 ILE 33 HD11 ILE 33 7.548 2.311 7.265 279 HD12 ILE 33 HD12 ILE 33 6.067 1.484 6.782 280 HD13 ILE 33 HD13 ILE 33 7.614 0.641 6.705 281 H LEU 34 H LEU 34 2.072 1.356 7.986 282 HA LEU 34 HA LEU 34 0.971 -1.369 8.292 283 HB2 LEU 34 HB2 LEU 34 -0.258 1.362 8.503 284 HB3 LEU 34 HB3 LEU 34 -1.260 -0.028 8.087 285 HG LEU 34 HG LEU 34 0.608 -0.237 10.423 286 HD11 LEU 34 HD11 LEU 34 -1.813 0.495 11.540 287 HD12 LEU 34 HD12 LEU 34 -1.663 1.608 10.180 288 HD13 LEU 34 HD13 LEU 34 -0.398 1.541 11.406 289 HD21 LEU 34 HD21 LEU 34 -1.219 -1.923 9.218 290 HD22 LEU 34 HD22 LEU 34 -2.147 -1.255 10.561 291 HD23 LEU 34 HD23 LEU 34 -0.626 -2.091 10.871 292 H GLN 35 H GLN 35 2.533 -0.083 6.035 293 HA GLN 35 HA GLN 35 0.945 0.502 3.833 294 HB2 GLN 35 HB2 GLN 35 2.862 -0.265 2.465 295 HB3 GLN 35 HB3 GLN 35 3.369 0.771 3.799 296 HG2 GLN 35 HG2 GLN 35 3.717 -1.403 5.129 297 HG3 GLN 35 HG3 GLN 35 3.595 -2.232 3.578 298 HE21 GLN 35 HE21 GLN 35 6.033 -2.320 5.026 299 HE22 GLN 35 HE22 GLN 35 7.198 -1.408 4.194 300 H GLY 36 H GLY 36 -0.265 -0.639 2.447 301 HA2 GLY 36 HA2 GLY 36 0.004 -3.483 2.084 302 HA3 GLY 36 HA3 GLY 36 -1.437 -3.044 2.999 303 H CYS 37 H CYS 37 -2.086 -4.255 0.782 304 HA CYS 37 HA CYS 37 -2.550 -2.172 -1.255 305 HB2 CYS 37 HB2 CYS 37 -3.280 -4.862 -2.062 306 HB3 CYS 37 HB3 CYS 37 -2.181 -3.719 -2.833 307 H SER 38 H SER 38 -4.629 -2.179 -2.347 308 HA SER 38 HA SER 38 -6.867 -3.512 -1.103 309 HB2 SER 38 HB2 SER 38 -6.389 -1.581 0.444 310 HB3 SER 38 HB3 SER 38 -6.742 -0.497 -0.899 311 HG SER 38 HG SER 38 -8.430 -1.853 0.724 312 H SER 39 H SER 39 -8.757 -3.375 -2.338 313 HA SER 39 HA SER 39 -8.320 -2.612 -5.106 314 HB2 SER 39 HB2 SER 39 -9.776 -4.610 -3.872 315 HB3 SER 39 HB3 SER 39 -11.020 -3.471 -4.378 316 HG SER 39 HG SER 39 -10.723 -4.231 -6.306 317 H SER 40 H SER 40 -9.483 -1.113 -2.330 318 HA SER 40 HA SER 40 -10.655 1.044 -3.938 319 HB2 SER 40 HB2 SER 40 -12.088 0.254 -1.438 320 HB3 SER 40 HB3 SER 40 -12.701 1.082 -2.867 321 HG SER 40 HG SER 40 -11.751 -1.381 -3.468 322 H CYS 41 H CYS 41 -8.224 1.374 -3.034 323 HA CYS 41 HA CYS 41 -8.017 2.275 -0.327 324 HB2 CYS 41 HB2 CYS 41 -6.041 1.505 -1.522 325 HB3 CYS 41 HB3 CYS 41 -6.244 2.775 -2.728 326 H SER 42 H SER 42 -8.910 4.064 0.457 327 HA SER 42 HA SER 42 -9.685 6.226 -1.345 328 HB2 SER 42 HB2 SER 42 -10.537 7.123 0.999 329 HB3 SER 42 HB3 SER 42 -11.424 5.879 0.124 330 HG SER 42 HG SER 42 -9.354 5.059 1.798 331 H GLU 43 H GLU 43 -7.768 7.245 -1.891 332 HA GLU 43 HA GLU 43 -5.536 7.862 -0.549 333 HB2 GLU 43 HB2 GLU 43 -7.165 9.877 -2.119 334 HB3 GLU 43 HB3 GLU 43 -5.449 10.020 -1.739 335 HG2 GLU 43 HG2 GLU 43 -6.094 7.440 -2.944 336 HG3 GLU 43 HG3 GLU 43 -6.525 8.789 -3.993 337 H THR 44 H THR 44 -5.070 8.641 1.404 338 HA THR 44 HA THR 44 -6.566 10.897 2.496 339 HB THR 44 HB THR 44 -6.628 9.521 4.740 340 HG1 THR 44 HG1 THR 44 -7.313 7.310 3.451 341 HG21 THR 44 HG21 THR 44 -8.507 9.967 2.613 342 HG22 THR 44 HG22 THR 44 -8.818 9.808 4.338 343 HG23 THR 44 HG23 THR 44 -8.800 8.377 3.311 344 H GLU 45 H GLU 45 -5.455 11.992 4.167 345 HA GLU 45 HA GLU 45 -2.694 12.174 3.919 346 HB2 GLU 45 HB2 GLU 45 -4.623 13.570 5.278 347 HB3 GLU 45 HB3 GLU 45 -3.700 12.846 6.595 348 HG2 GLU 45 HG2 GLU 45 -1.604 13.705 5.546 349 HG3 GLU 45 HG3 GLU 45 -2.583 14.517 4.325 350 H ASN 46 H ASN 46 -4.621 10.122 6.027 351 HA ASN 46 HA ASN 46 -2.244 9.167 7.433 352 HB2 ASN 46 HB2 ASN 46 -4.839 9.498 8.239 353 HB3 ASN 46 HB3 ASN 46 -4.796 7.772 7.884 354 HD21 ASN 46 HD21 ASN 46 -4.966 8.982 10.578 355 HD22 ASN 46 HD22 ASN 46 -3.579 8.474 11.415 356 H ASN 47 H ASN 47 -3.944 8.477 4.619 357 HA ASN 47 HA ASN 47 -2.446 6.037 4.215 358 HB2 ASN 47 HB2 ASN 47 -4.307 5.029 5.292 359 HB3 ASN 47 HB3 ASN 47 -5.452 6.039 4.416 360 HD21 ASN 47 HD21 ASN 47 -3.419 3.172 4.190 361 HD22 ASN 47 HD22 ASN 47 -3.991 2.664 2.675 362 H LYS 48 H LYS 48 -1.538 6.496 2.334 363 HA LYS 48 HA LYS 48 -3.126 7.878 0.266 364 HB2 LYS 48 HB2 LYS 48 -0.151 7.337 0.277 365 HB3 LYS 48 HB3 LYS 48 -1.034 8.449 -0.769 366 HG2 LYS 48 HG2 LYS 48 -1.453 8.907 2.114 367 HG3 LYS 48 HG3 LYS 48 0.201 9.179 1.566 368 HD2 LYS 48 HD2 LYS 48 -2.105 10.309 -0.001 369 HD3 LYS 48 HD3 LYS 48 -1.512 11.151 1.431 370 HE2 LYS 48 HE2 LYS 48 0.786 11.111 0.456 371 HE3 LYS 48 HE3 LYS 48 0.121 10.381 -1.005 372 HZ1 LYS 48 HZ1 LYS 48 -1.100 12.287 -1.490 373 HZ2 LYS 48 HZ2 LYS 48 0.400 12.892 -0.969 374 HZ3 LYS 48 HZ3 LYS 48 -0.940 12.917 0.076 375 H CYS 49 H CYS 49 -2.906 7.134 -1.977 376 HA CYS 49 HA CYS 49 -2.467 4.208 -2.161 377 HB2 CYS 49 HB2 CYS 49 -4.439 5.601 -3.932 378 HB3 CYS 49 HB3 CYS 49 -4.404 3.922 -3.396 379 H CYS 50 H CYS 50 -1.360 3.459 -3.912 380 HA CYS 50 HA CYS 50 -0.644 5.348 -6.050 381 HB2 CYS 50 HB2 CYS 50 1.737 4.531 -5.896 382 HB3 CYS 50 HB3 CYS 50 1.223 5.546 -4.549 383 H SER 51 H SER 51 0.076 4.325 -7.989 384 HA SER 51 HA SER 51 -0.432 1.417 -8.122 385 HB2 SER 51 HB2 SER 51 -1.139 2.946 -10.534 386 HB3 SER 51 HB3 SER 51 -1.989 1.618 -9.750 387 HG SER 51 HG SER 51 -3.248 3.093 -8.964 388 H THR 52 H THR 52 2.069 2.859 -7.899 389 HA THR 52 HA THR 52 3.240 2.389 -10.571 390 HB THR 52 HB THR 52 4.856 3.771 -8.521 391 HG1 THR 52 HG1 THR 52 2.345 4.628 -9.340 392 HG21 THR 52 HG21 THR 52 4.203 4.837 -11.235 393 HG22 THR 52 HG22 THR 52 5.167 3.363 -11.131 394 HG23 THR 52 HG23 THR 52 5.738 4.847 -10.366 395 H ASP 53 H ASP 53 2.621 0.460 -8.317 396 HA ASP 53 HA ASP 53 3.601 -1.334 -7.261 397 HB2 ASP 53 HB2 ASP 53 5.942 -1.313 -9.071 398 HB3 ASP 53 HB3 ASP 53 4.828 -2.622 -8.678 399 H ARG 54 H ARG 54 5.362 -2.015 -5.902 400 HA ARG 54 HA ARG 54 6.699 -1.384 -4.094 401 HB2 ARG 54 HB2 ARG 54 8.167 -2.121 -6.051 402 HB3 ARG 54 HB3 ARG 54 8.477 -0.408 -6.328 403 HG2 ARG 54 HG2 ARG 54 8.945 -0.520 -3.667 404 HG3 ARG 54 HG3 ARG 54 9.400 -2.163 -4.117 405 HD2 ARG 54 HD2 ARG 54 10.700 -0.967 -6.060 406 HD3 ARG 54 HD3 ARG 54 10.596 0.441 -5.009 407 HE ARG 54 HE ARG 54 11.629 -1.179 -3.270 408 HH11 ARG 54 HH21 ARG 54 12.213 -1.199 -6.691 409 HH12 ARG 54 HH22 ARG 54 13.802 -1.869 -6.549 410 HH21 ARG 54 HH11 ARG 54 13.712 -2.053 -3.090 411 HH22 ARG 54 HH12 ARG 54 14.650 -2.350 -4.515 412 H CYS 55 H CYS 55 4.844 0.758 -5.087 413 HA CYS 55 HA CYS 55 6.316 3.232 -4.820 414 HB2 CYS 55 HB2 CYS 55 3.972 4.217 -4.785 415 HB3 CYS 55 HB3 CYS 55 4.398 3.306 -6.234 416 H ASN 56 H ASN 56 4.147 1.282 -2.815 417 HA ASN 56 HA ASN 56 4.119 3.123 -0.615 418 HB2 ASN 56 HB2 ASN 56 3.010 1.313 0.597 419 HB3 ASN 56 HB3 ASN 56 2.312 1.481 -1.014 420 HD21 ASN 56 HD21 ASN 56 5.256 0.186 -1.657 421 HD22 ASN 56 HD22 ASN 56 4.880 -1.467 -1.584 422 H LYS 57 H LYS 57 6.682 3.129 -1.008 423 HA LYS 57 HA LYS 57 8.143 1.009 0.252 424 HB2 LYS 57 HB2 LYS 57 9.319 2.309 -1.367 425 HB3 LYS 57 HB3 LYS 57 8.884 3.820 -0.567 426 HG2 LYS 57 HG2 LYS 57 10.437 3.541 1.118 427 HG3 LYS 57 HG3 LYS 57 10.366 1.781 1.034 428 HD2 LYS 57 HD2 LYS 57 11.559 1.867 -1.152 429 HD3 LYS 57 HD3 LYS 57 11.704 3.616 -0.974 430 HE2 LYS 57 HE2 LYS 57 13.215 3.449 0.790 431 HE3 LYS 57 HE3 LYS 57 12.654 1.841 1.250 432 HZ1 LYS 57 HZ1 LYS 57 13.567 1.113 -0.988 433 HZ2 LYS 57 HZ2 LYS 57 14.699 1.488 0.223 434 HZ3 LYS 57 HZ3 LYS 57 14.383 2.600 -1.022 Start of MODEL 3 1 H1 LEU 1 H1 LEU 1 1.584 -3.679 -9.752 2 H2 LEU 1 H2 LEU 1 1.640 -4.791 -11.036 3 H3 LEU 1 H3 LEU 1 2.720 -4.938 -9.733 4 HA LEU 1 HA LEU 1 -0.065 -4.948 -8.976 5 HB2 LEU 1 HB2 LEU 1 0.941 -6.685 -11.110 6 HB3 LEU 1 HB3 LEU 1 0.289 -7.590 -9.744 7 HG LEU 1 HG LEU 1 -1.222 -5.252 -10.894 8 HD11 LEU 1 HD11 LEU 1 -0.606 -6.987 -12.680 9 HD12 LEU 1 HD12 LEU 1 -2.327 -6.668 -12.462 10 HD13 LEU 1 HD13 LEU 1 -1.604 -8.120 -11.771 11 HD21 LEU 1 HD21 LEU 1 -1.948 -7.758 -9.345 12 HD22 LEU 1 HD22 LEU 1 -3.138 -6.635 -10.005 13 HD23 LEU 1 HD23 LEU 1 -2.009 -6.094 -8.762 14 H LYS 2 H LYS 2 2.323 -4.426 -7.620 15 HA LYS 2 HA LYS 2 2.205 -6.401 -5.557 16 HB2 LYS 2 HB2 LYS 2 4.502 -7.194 -5.677 17 HB3 LYS 2 HB3 LYS 2 3.666 -7.583 -7.179 18 HG2 LYS 2 HG2 LYS 2 4.805 -4.959 -7.415 19 HG3 LYS 2 HG3 LYS 2 6.054 -6.070 -6.855 20 HD2 LYS 2 HD2 LYS 2 4.233 -6.737 -9.174 21 HD3 LYS 2 HD3 LYS 2 5.760 -5.883 -9.395 22 HE2 LYS 2 HE2 LYS 2 6.821 -7.867 -9.381 23 HE3 LYS 2 HE3 LYS 2 6.318 -8.088 -7.706 24 HZ1 LYS 2 HZ1 LYS 2 5.603 -9.896 -9.208 25 HZ2 LYS 2 HZ2 LYS 2 4.645 -8.781 -10.058 26 HZ3 LYS 2 HZ3 LYS 2 4.309 -9.125 -8.428 27 H CYS 3 H CYS 3 3.541 -5.812 -3.716 28 HA CYS 3 HA CYS 3 4.977 -3.311 -3.745 29 HB2 CYS 3 HB2 CYS 3 2.234 -3.491 -2.492 30 HB3 CYS 3 HB3 CYS 3 3.411 -2.259 -2.040 31 H TYR 4 H TYR 4 4.962 -2.651 -1.127 32 HA TYR 4 HA TYR 4 6.307 -4.941 0.079 33 HB2 TYR 4 HB2 TYR 4 6.171 -2.001 0.694 34 HB3 TYR 4 HB3 TYR 4 6.822 -3.148 1.867 35 HD1 TYR 4 HD2 TYR 4 8.556 -4.885 0.893 36 HD2 TYR 4 HD1 TYR 4 7.610 -1.106 -0.913 37 HE1 TYR 4 HE2 TYR 4 10.697 -4.943 -0.346 38 HE2 TYR 4 HE1 TYR 4 9.756 -1.163 -2.156 39 HH TYR 4 HH TYR 4 12.100 -3.794 -1.650 40 H GLN 5 H GLN 5 4.571 -6.260 0.609 41 HA GLN 5 HA GLN 5 2.560 -5.208 2.474 42 HB2 GLN 5 HB2 GLN 5 1.933 -6.631 0.467 43 HB3 GLN 5 HB3 GLN 5 2.700 -7.985 1.295 44 HG2 GLN 5 HG2 GLN 5 1.203 -7.387 3.299 45 HG3 GLN 5 HG3 GLN 5 0.292 -6.389 2.167 46 HE21 GLN 5 HE21 GLN 5 -0.890 -7.487 0.435 47 HE22 GLN 5 HE22 GLN 5 -1.184 -9.158 0.499 48 H HIS 6 H HIS 6 5.386 -7.215 2.360 49 HA HIS 6 HA HIS 6 5.146 -7.654 5.262 50 HB2 HIS 6 HB2 HIS 6 5.611 -9.738 3.142 51 HB3 HIS 6 HB3 HIS 6 6.220 -9.962 4.782 52 HD1 HIS 6 HD1 HIS 6 4.251 -9.502 6.707 53 HD2 HIS 6 HD2 HIS 6 2.997 -10.582 2.881 54 HE1 HIS 6 HE1 HIS 6 1.867 -10.326 6.940 55 H GLY 7 H GLY 7 6.642 -5.657 4.009 56 HA2 GLY 7 HA2 GLY 7 8.750 -4.739 4.307 57 HA3 GLY 7 HA3 GLY 7 9.276 -6.268 5.007 58 H LYS 8 H LYS 8 7.969 -7.422 2.396 59 HA LYS 8 HA LYS 8 10.252 -6.863 0.606 60 HB2 LYS 8 HB2 LYS 8 9.068 -9.579 0.532 61 HB3 LYS 8 HB3 LYS 8 10.748 -9.073 0.347 62 HG2 LYS 8 HG2 LYS 8 10.840 -8.608 2.799 63 HG3 LYS 8 HG3 LYS 8 9.200 -9.239 2.950 64 HD2 LYS 8 HD2 LYS 8 11.319 -10.908 1.625 65 HD3 LYS 8 HD3 LYS 8 11.231 -10.840 3.386 66 HE2 LYS 8 HE2 LYS 8 8.862 -11.503 1.620 67 HE3 LYS 8 HE3 LYS 8 9.904 -12.724 2.349 68 HZ1 LYS 8 HZ1 LYS 8 9.405 -11.507 4.521 69 HZ2 LYS 8 HZ2 LYS 8 8.178 -12.480 3.860 70 HZ3 LYS 8 HZ3 LYS 8 8.115 -10.791 3.684 71 H VAL 9 H VAL 9 9.770 -6.649 -1.540 72 HA VAL 9 HA VAL 9 7.183 -5.942 -2.329 73 HB VAL 9 HB VAL 9 9.454 -6.939 -4.066 74 HG11 VAL 9 HG11 VAL 9 7.416 -6.932 -5.340 75 HG12 VAL 9 HG12 VAL 9 8.282 -5.455 -5.763 76 HG13 VAL 9 HG13 VAL 9 6.917 -5.389 -4.646 77 HG21 VAL 9 HG21 VAL 9 10.382 -5.087 -3.025 78 HG22 VAL 9 HG22 VAL 9 8.813 -4.334 -2.739 79 HG23 VAL 9 HG23 VAL 9 9.531 -4.290 -4.349 80 H VAL 10 H VAL 10 5.560 -7.384 -1.979 81 HA VAL 10 HA VAL 10 5.733 -9.928 -3.476 82 HB VAL 10 HB VAL 10 4.220 -10.826 -1.565 83 HG11 VAL 10 HG11 VAL 10 7.180 -10.384 -1.572 84 HG12 VAL 10 HG12 VAL 10 6.273 -11.891 -1.690 85 HG13 VAL 10 HG13 VAL 10 6.445 -11.086 -0.131 86 HG21 VAL 10 HG21 VAL 10 4.596 -8.198 -0.665 87 HG22 VAL 10 HG22 VAL 10 5.650 -9.172 0.360 88 HG23 VAL 10 HG23 VAL 10 3.927 -9.538 0.267 89 H THR 11 H THR 11 3.851 -10.615 -4.470 90 HA THR 11 HA THR 11 1.950 -8.589 -5.142 91 HB THR 11 HB THR 11 1.842 -11.571 -5.659 92 HG1 THR 11 HG1 THR 11 3.596 -10.885 -6.700 93 HG21 THR 11 HG21 THR 11 0.510 -10.504 -7.699 94 HG22 THR 11 HG22 THR 11 0.212 -9.221 -6.525 95 HG23 THR 11 HG23 THR 11 -0.298 -10.873 -6.176 96 H CYS 12 H CYS 12 0.292 -7.966 -3.933 97 HA CYS 12 HA CYS 12 -0.533 -9.328 -1.584 98 HB2 CYS 12 HB2 CYS 12 -2.404 -7.407 -2.847 99 HB3 CYS 12 HB3 CYS 12 -1.810 -7.482 -1.188 100 H HIS 13 H HIS 13 -3.362 -9.048 -1.762 101 HA HIS 13 HA HIS 13 -4.102 -11.069 -3.779 102 HB2 HIS 13 HB2 HIS 13 -3.665 -12.010 -1.413 103 HB3 HIS 13 HB3 HIS 13 -5.167 -11.201 -0.969 104 HD1 HIS 13 HD1 HIS 13 -7.107 -12.752 -1.132 105 HD2 HIS 13 HD2 HIS 13 -4.244 -13.586 -4.046 106 HE1 HIS 13 HE1 HIS 13 -7.999 -14.705 -2.475 107 H ARG 14 H ARG 14 -6.742 -11.227 -2.340 108 HA ARG 14 HA ARG 14 -8.826 -10.342 -2.842 109 HB2 ARG 14 HB2 ARG 14 -7.723 -9.006 -0.822 110 HB3 ARG 14 HB3 ARG 14 -7.808 -7.675 -1.976 111 HG2 ARG 14 HG2 ARG 14 -10.253 -8.363 -2.349 112 HG3 ARG 14 HG3 ARG 14 -10.079 -9.351 -0.897 113 HD2 ARG 14 HD2 ARG 14 -9.361 -7.328 0.358 114 HD3 ARG 14 HD3 ARG 14 -9.626 -6.360 -1.089 115 HE ARG 14 HE ARG 14 -11.665 -7.423 0.676 116 HH11 ARG 14 HH21 ARG 14 -10.858 -6.258 -2.481 117 HH12 ARG 14 HH22 ARG 14 -12.478 -5.788 -2.874 118 HH21 ARG 14 HH11 ARG 14 -13.795 -6.812 0.168 119 HH22 ARG 14 HH12 ARG 14 -14.142 -6.102 -1.374 120 H ASP 15 H ASP 15 -6.675 -10.099 -4.947 121 HA ASP 15 HA ASP 15 -6.392 -9.127 -7.016 122 HB2 ASP 15 HB2 ASP 15 -9.290 -8.325 -6.680 123 HB3 ASP 15 HB3 ASP 15 -8.410 -8.524 -8.195 124 H MET 16 H MET 16 -5.468 -7.577 -4.947 125 HA MET 16 HA MET 16 -6.451 -4.967 -4.779 126 HB2 MET 16 HB2 MET 16 -4.603 -4.539 -3.528 127 HB3 MET 16 HB3 MET 16 -4.432 -6.292 -3.573 128 HG2 MET 16 HG2 MET 16 -2.298 -5.466 -4.205 129 HG3 MET 16 HG3 MET 16 -3.060 -5.930 -5.724 130 HE1 MET 16 HE1 MET 16 -1.258 -4.815 -6.664 131 HE2 MET 16 HE2 MET 16 -1.119 -3.093 -7.007 132 HE3 MET 16 HE3 MET 16 -2.389 -4.038 -7.780 133 H LYS 17 H LYS 17 -6.250 -3.177 -5.986 134 HA LYS 17 HA LYS 17 -4.792 -3.421 -8.547 135 HB2 LYS 17 HB2 LYS 17 -7.350 -1.975 -7.851 136 HB3 LYS 17 HB3 LYS 17 -6.451 -1.660 -9.335 137 HG2 LYS 17 HG2 LYS 17 -7.076 -4.502 -8.645 138 HG3 LYS 17 HG3 LYS 17 -8.381 -3.490 -9.265 139 HD2 LYS 17 HD2 LYS 17 -7.153 -2.997 -11.273 140 HD3 LYS 17 HD3 LYS 17 -5.691 -3.743 -10.628 141 HE2 LYS 17 HE2 LYS 17 -6.976 -5.919 -10.492 142 HE3 LYS 17 HE3 LYS 17 -8.274 -5.128 -11.387 143 HZ1 LYS 17 HZ1 LYS 17 -5.758 -6.130 -12.324 144 HZ2 LYS 17 HZ2 LYS 17 -6.045 -4.530 -12.818 145 HZ3 LYS 17 HZ3 LYS 17 -7.164 -5.752 -13.195 146 H PHE 18 H PHE 18 -4.705 -1.972 -5.571 147 HA PHE 18 HA PHE 18 -2.846 0.062 -6.516 148 HB2 PHE 18 HB2 PHE 18 -5.356 0.774 -4.985 149 HB3 PHE 18 HB3 PHE 18 -4.003 1.868 -5.260 150 HD1 PHE 18 HD2 PHE 18 -3.505 2.730 -7.502 151 HD2 PHE 18 HD1 PHE 18 -6.827 0.095 -6.810 152 HE1 PHE 18 HE2 PHE 18 -4.427 3.305 -9.733 153 HE2 PHE 18 HE1 PHE 18 -7.748 0.669 -9.040 154 HZ PHE 18 HZ PHE 18 -6.548 2.275 -10.501 155 H CYS 19 H CYS 19 -1.473 0.853 -4.902 156 HA CYS 19 HA CYS 19 -1.469 -0.748 -2.420 157 HB2 CYS 19 HB2 CYS 19 0.782 0.644 -3.880 158 HB3 CYS 19 HB3 CYS 19 0.954 -0.164 -2.323 159 H TYR 20 H TYR 20 -1.207 0.297 -0.421 160 HA TYR 20 HA TYR 20 -1.264 3.246 -0.516 161 HB2 TYR 20 HB2 TYR 20 -2.927 3.237 1.313 162 HB3 TYR 20 HB3 TYR 20 -3.548 2.510 -0.166 163 HD1 TYR 20 HD2 TYR 20 -1.981 1.673 3.124 164 HD2 TYR 20 HD1 TYR 20 -4.362 0.300 -0.178 165 HE1 TYR 20 HE2 TYR 20 -2.492 -0.416 4.359 166 HE2 TYR 20 HE1 TYR 20 -4.874 -1.787 1.058 167 HH TYR 20 HH TYR 20 -4.953 -2.545 3.427 168 H HIS 21 H HIS 21 -0.170 4.302 1.042 169 HA HIS 21 HA HIS 21 1.391 2.644 2.927 170 HB2 HIS 21 HB2 HIS 21 2.536 4.090 1.090 171 HB3 HIS 21 HB3 HIS 21 2.122 5.449 2.132 172 HD1 HIS 21 HD1 HIS 21 5.088 4.365 1.622 173 HD2 HIS 21 HD2 HIS 21 2.732 3.560 4.966 174 HE1 HIS 21 HE1 HIS 21 6.684 3.760 3.494 175 H ASN 22 H ASN 22 -0.318 2.681 4.489 176 HA ASN 22 HA ASN 22 -1.342 5.167 5.487 177 HB2 ASN 22 HB2 ASN 22 -2.587 2.997 5.583 178 HB3 ASN 22 HB3 ASN 22 -1.437 2.446 6.800 179 HD21 ASN 22 HD21 ASN 22 -1.114 4.635 8.449 180 HD22 ASN 22 HD22 ASN 22 -2.601 5.101 9.121 181 H THR 23 H THR 23 -0.291 6.530 6.739 182 HA THR 23 HA THR 23 2.013 5.589 8.299 183 HB THR 23 HB THR 23 2.515 7.993 8.571 184 HG1 THR 23 HG1 THR 23 0.385 8.757 8.508 185 HG21 THR 23 HG21 THR 23 3.647 7.426 6.685 186 HG22 THR 23 HG22 THR 23 2.409 8.377 5.865 187 HG23 THR 23 HG23 THR 23 2.247 6.624 5.974 188 H GLY 24 H GLY 24 -1.259 6.602 8.651 189 HA2 GLY 24 HA2 GLY 24 -2.625 6.792 10.495 190 HA3 GLY 24 HA3 GLY 24 -1.395 5.899 11.383 191 H MET 25 H MET 25 0.424 7.109 12.251 192 HA MET 25 HA MET 25 0.876 8.753 13.879 193 HB2 MET 25 HB2 MET 25 1.581 10.855 12.587 194 HB3 MET 25 HB3 MET 25 2.368 9.341 12.141 195 HG2 MET 25 HG2 MET 25 0.929 9.073 10.224 196 HG3 MET 25 HG3 MET 25 -0.081 10.428 10.728 197 HE1 MET 25 HE1 MET 25 0.187 12.720 10.033 198 HE2 MET 25 HE2 MET 25 1.736 13.554 9.928 199 HE3 MET 25 HE3 MET 25 1.263 12.774 11.436 200 HA PRO 26 HA PRO 26 -3.381 10.730 13.691 201 HB2 PRO 26 HB2 PRO 26 -4.290 9.674 16.055 202 HB3 PRO 26 HB3 PRO 26 -4.514 8.892 14.478 203 HG2 PRO 26 HG2 PRO 26 -2.533 8.312 16.617 204 HG3 PRO 26 HG3 PRO 26 -3.403 7.199 15.548 205 HD2 PRO 26 HD2 PRO 26 -0.786 7.923 15.148 206 HD3 PRO 26 HD3 PRO 26 -1.878 7.445 13.830 207 H PHE 27 H PHE 27 -2.891 10.167 17.080 208 HA PHE 27 HA PHE 27 -2.534 13.027 17.523 209 HB2 PHE 27 HB2 PHE 27 -3.352 10.689 19.162 210 HB3 PHE 27 HB3 PHE 27 -2.543 12.009 20.006 211 HD1 PHE 27 HD2 PHE 27 -5.155 11.556 17.341 212 HD2 PHE 27 HD1 PHE 27 -3.891 13.714 20.834 213 HE1 PHE 27 HE2 PHE 27 -7.247 12.885 17.278 214 HE2 PHE 27 HE1 PHE 27 -5.984 15.042 20.770 215 HZ PHE 27 HZ PHE 27 -7.663 14.628 18.992 216 H ARG 28 H ARG 28 -0.529 10.414 17.018 217 HA ARG 28 HA ARG 28 1.728 11.852 18.224 218 HB2 ARG 28 HB2 ARG 28 0.750 9.170 19.008 219 HB3 ARG 28 HB3 ARG 28 2.490 9.314 18.763 220 HG2 ARG 28 HG2 ARG 28 0.959 11.320 20.423 221 HG3 ARG 28 HG3 ARG 28 1.597 9.832 21.124 222 HD2 ARG 28 HD2 ARG 28 3.576 11.194 19.471 223 HD3 ARG 28 HD3 ARG 28 2.999 12.216 20.784 224 HE ARG 28 HE ARG 28 3.551 9.682 21.856 225 HH11 ARG 28 HH21 ARG 28 5.163 12.341 20.337 226 HH12 ARG 28 HH22 ARG 28 6.664 12.079 21.158 227 HH21 ARG 28 HH11 ARG 28 5.517 9.333 22.938 228 HH22 ARG 28 HH12 ARG 28 6.866 10.374 22.630 229 H ASN 29 H ASN 29 3.844 10.902 17.464 230 HA ASN 29 HA ASN 29 3.973 10.882 14.674 231 HB2 ASN 29 HB2 ASN 29 5.823 10.421 16.898 232 HB3 ASN 29 HB3 ASN 29 6.242 9.518 15.443 233 HD21 ASN 29 HD21 ASN 29 7.693 11.865 16.546 234 HD22 ASN 29 HD22 ASN 29 7.646 13.055 15.338 235 H LEU 30 H LEU 30 4.403 8.117 16.893 236 HA LEU 30 HA LEU 30 3.991 5.873 16.621 237 HB2 LEU 30 HB2 LEU 30 1.819 7.040 15.539 238 HB3 LEU 30 HB3 LEU 30 2.465 6.245 14.103 239 HG LEU 30 HG LEU 30 2.703 4.164 15.667 240 HD11 LEU 30 HD11 LEU 30 1.987 5.774 17.635 241 HD12 LEU 30 HD12 LEU 30 1.428 4.102 17.611 242 HD13 LEU 30 HD13 LEU 30 0.358 5.397 17.074 243 HD21 LEU 30 HD21 LEU 30 1.176 3.840 13.959 244 HD22 LEU 30 HD22 LEU 30 0.268 5.300 14.353 245 HD23 LEU 30 HD23 LEU 30 0.070 3.846 15.333 246 H LYS 31 H LYS 31 5.852 4.899 16.087 247 HA LYS 31 HA LYS 31 6.942 5.236 13.383 248 HB2 LYS 31 HB2 LYS 31 8.031 4.467 16.029 249 HB3 LYS 31 HB3 LYS 31 8.747 3.665 14.631 250 HG2 LYS 31 HG2 LYS 31 10.004 5.687 15.025 251 HG3 LYS 31 HG3 LYS 31 9.032 5.940 13.576 252 HD2 LYS 31 HD2 LYS 31 7.710 7.511 14.575 253 HD3 LYS 31 HD3 LYS 31 7.724 6.677 16.130 254 HE2 LYS 31 HE2 LYS 31 10.116 8.165 15.018 255 HE3 LYS 31 HE3 LYS 31 8.947 8.892 16.120 256 HZ1 LYS 31 HZ1 LYS 31 11.141 7.446 16.836 257 HZ2 LYS 31 HZ2 LYS 31 9.865 6.342 17.028 258 HZ3 LYS 31 HZ3 LYS 31 9.832 7.833 17.842 259 H LEU 32 H LEU 32 4.554 3.760 13.542 260 HA LEU 32 HA LEU 32 5.499 1.002 13.041 261 HB2 LEU 32 HB2 LEU 32 3.098 2.088 14.374 262 HB3 LEU 32 HB3 LEU 32 2.801 0.746 13.269 263 HG LEU 32 HG LEU 32 5.035 0.610 15.286 264 HD11 LEU 32 HD11 LEU 32 2.828 1.147 16.418 265 HD12 LEU 32 HD12 LEU 32 3.550 -0.390 16.895 266 HD13 LEU 32 HD13 LEU 32 2.206 -0.364 15.755 267 HD21 LEU 32 HD21 LEU 32 4.430 -1.003 13.216 268 HD22 LEU 32 HD22 LEU 32 3.363 -1.705 14.433 269 HD23 LEU 32 HD23 LEU 32 5.100 -1.622 14.726 270 H ILE 33 H ILE 33 5.407 0.299 11.008 271 HA ILE 33 HA ILE 33 4.213 1.974 8.960 272 HB ILE 33 HB ILE 33 6.336 1.037 8.409 273 HG12 ILE 33 HG12 ILE 33 4.568 -0.880 6.942 274 HG13 ILE 33 HG13 ILE 33 4.251 0.846 6.758 275 HG21 ILE 33 HG21 ILE 33 5.983 -1.735 8.281 276 HG22 ILE 33 HG22 ILE 33 5.250 -1.270 9.816 277 HG23 ILE 33 HG23 ILE 33 6.932 -0.857 9.481 278 HD11 ILE 33 HD11 ILE 33 6.007 -0.448 5.195 279 HD12 ILE 33 HD12 ILE 33 7.087 -0.044 6.529 280 HD13 ILE 33 HD13 ILE 33 6.237 1.237 5.663 281 H LEU 34 H LEU 34 2.297 1.679 8.024 282 HA LEU 34 HA LEU 34 0.878 -0.876 8.493 283 HB2 LEU 34 HB2 LEU 34 -0.134 1.969 8.499 284 HB3 LEU 34 HB3 LEU 34 -1.219 0.599 8.267 285 HG LEU 34 HG LEU 34 0.254 -0.195 10.459 286 HD11 LEU 34 HD11 LEU 34 1.243 2.139 10.481 287 HD12 LEU 34 HD12 LEU 34 0.426 1.667 11.971 288 HD13 LEU 34 HD13 LEU 34 -0.377 2.743 10.828 289 HD21 LEU 34 HD21 LEU 34 -2.235 -0.264 10.069 290 HD22 LEU 34 HD22 LEU 34 -2.303 1.435 10.538 291 HD23 LEU 34 HD23 LEU 34 -1.785 0.218 11.705 292 H GLN 35 H GLN 35 2.336 -1.069 6.387 293 HA GLN 35 HA GLN 35 1.108 0.067 4.017 294 HB2 GLN 35 HB2 GLN 35 3.617 -0.459 4.391 295 HB3 GLN 35 HB3 GLN 35 3.168 -2.121 4.008 296 HG2 GLN 35 HG2 GLN 35 2.582 0.277 2.250 297 HG3 GLN 35 HG3 GLN 35 3.908 -0.855 1.996 298 HE21 GLN 35 HE21 GLN 35 2.554 -3.303 2.611 299 HE22 GLN 35 HE22 GLN 35 1.356 -3.558 1.436 300 H GLY 36 H GLY 36 -0.159 -0.944 2.565 301 HA2 GLY 36 HA2 GLY 36 -0.575 -3.756 2.429 302 HA3 GLY 36 HA3 GLY 36 -1.894 -2.977 3.298 303 H CYS 37 H CYS 37 -2.036 -4.329 0.729 304 HA CYS 37 HA CYS 37 -2.555 -2.079 -1.099 305 HB2 CYS 37 HB2 CYS 37 -2.874 -4.756 -2.208 306 HB3 CYS 37 HB3 CYS 37 -1.895 -3.408 -2.784 307 H SER 38 H SER 38 -4.483 -2.334 -2.540 308 HA SER 38 HA SER 38 -6.680 -3.967 -1.713 309 HB2 SER 38 HB2 SER 38 -6.772 -2.377 0.135 310 HB3 SER 38 HB3 SER 38 -6.762 -1.026 -0.995 311 HG SER 38 HG SER 38 -8.832 -2.449 -0.118 312 H SER 39 H SER 39 -8.619 -3.550 -2.995 313 HA SER 39 HA SER 39 -7.936 -2.733 -5.679 314 HB2 SER 39 HB2 SER 39 -10.764 -3.259 -5.040 315 HB3 SER 39 HB3 SER 39 -9.748 -3.934 -6.310 316 HG SER 39 HG SER 39 -10.425 -5.372 -4.516 317 H SER 40 H SER 40 -9.719 -1.415 -2.969 318 HA SER 40 HA SER 40 -10.129 1.058 -4.531 319 HB2 SER 40 HB2 SER 40 -12.119 -0.584 -3.108 320 HB3 SER 40 HB3 SER 40 -12.188 1.138 -2.743 321 HG SER 40 HG SER 40 -11.913 1.201 -5.234 322 H CYS 41 H CYS 41 -8.250 1.919 -3.593 323 HA CYS 41 HA CYS 41 -8.073 2.157 -0.695 324 HB2 CYS 41 HB2 CYS 41 -6.017 1.753 -1.904 325 HB3 CYS 41 HB3 CYS 41 -6.310 3.146 -2.943 326 H SER 42 H SER 42 -7.753 4.272 0.324 327 HA SER 42 HA SER 42 -9.339 6.381 -1.018 328 HB2 SER 42 HB2 SER 42 -9.951 5.116 1.346 329 HB3 SER 42 HB3 SER 42 -9.108 6.559 1.901 330 HG SER 42 HG SER 42 -10.561 7.813 0.790 331 H GLU 43 H GLU 43 -7.594 7.455 -1.939 332 HA GLU 43 HA GLU 43 -5.149 8.069 -0.789 333 HB2 GLU 43 HB2 GLU 43 -6.827 9.716 -2.695 334 HB3 GLU 43 HB3 GLU 43 -5.136 10.046 -2.319 335 HG2 GLU 43 HG2 GLU 43 -4.491 7.836 -3.149 336 HG3 GLU 43 HG3 GLU 43 -6.179 7.445 -3.469 337 H THR 44 H THR 44 -4.941 8.831 1.231 338 HA THR 44 HA THR 44 -6.178 11.422 1.846 339 HB THR 44 HB THR 44 -6.562 10.510 4.219 340 HG1 THR 44 HG1 THR 44 -5.741 8.559 4.312 341 HG21 THR 44 HG21 THR 44 -8.324 9.215 2.150 342 HG22 THR 44 HG22 THR 44 -8.278 10.969 2.327 343 HG23 THR 44 HG23 THR 44 -8.784 9.958 3.681 344 H GLU 45 H GLU 45 -5.095 12.566 3.572 345 HA GLU 45 HA GLU 45 -2.338 12.651 3.380 346 HB2 GLU 45 HB2 GLU 45 -4.279 13.584 5.468 347 HB3 GLU 45 HB3 GLU 45 -2.545 13.737 5.753 348 HG2 GLU 45 HG2 GLU 45 -3.727 15.731 4.628 349 HG3 GLU 45 HG3 GLU 45 -2.243 15.146 3.876 350 H ASN 46 H ASN 46 -4.348 10.691 5.498 351 HA ASN 46 HA ASN 46 -2.045 9.704 6.984 352 HB2 ASN 46 HB2 ASN 46 -4.692 10.063 7.633 353 HB3 ASN 46 HB3 ASN 46 -4.616 8.327 7.338 354 HD21 ASN 46 HD21 ASN 46 -5.078 8.521 9.860 355 HD22 ASN 46 HD22 ASN 46 -3.699 8.518 10.850 356 H ASN 47 H ASN 47 -4.365 8.565 4.571 357 HA ASN 47 HA ASN 47 -2.624 6.221 4.124 358 HB2 ASN 47 HB2 ASN 47 -4.446 5.149 5.050 359 HB3 ASN 47 HB3 ASN 47 -5.584 6.365 4.477 360 HD21 ASN 47 HD21 ASN 47 -6.455 6.122 2.324 361 HD22 ASN 47 HD22 ASN 47 -6.174 4.733 1.390 362 H LYS 48 H LYS 48 -1.603 6.720 2.280 363 HA LYS 48 HA LYS 48 -3.075 8.061 0.126 364 HB2 LYS 48 HB2 LYS 48 -0.160 7.258 0.240 365 HB3 LYS 48 HB3 LYS 48 -0.913 8.334 -0.936 366 HG2 LYS 48 HG2 LYS 48 -1.570 9.275 1.690 367 HG3 LYS 48 HG3 LYS 48 0.172 9.013 1.614 368 HD2 LYS 48 HD2 LYS 48 -1.296 10.477 -0.581 369 HD3 LYS 48 HD3 LYS 48 -0.701 11.317 0.852 370 HE2 LYS 48 HE2 LYS 48 1.502 11.055 0.262 371 HE3 LYS 48 HE3 LYS 48 1.216 9.501 -0.519 372 HZ1 LYS 48 HZ1 LYS 48 1.560 10.827 -2.326 373 HZ2 LYS 48 HZ2 LYS 48 0.899 12.211 -1.593 374 HZ3 LYS 48 HZ3 LYS 48 -0.123 10.986 -2.178 375 H CYS 49 H CYS 49 -2.509 7.226 -2.153 376 HA CYS 49 HA CYS 49 -2.413 4.288 -2.236 377 HB2 CYS 49 HB2 CYS 49 -4.398 5.691 -3.975 378 HB3 CYS 49 HB3 CYS 49 -4.391 4.027 -3.395 379 H CYS 50 H CYS 50 -1.139 3.546 -3.814 380 HA CYS 50 HA CYS 50 -0.485 5.357 -6.059 381 HB2 CYS 50 HB2 CYS 50 1.778 4.100 -6.018 382 HB3 CYS 50 HB3 CYS 50 1.504 5.354 -4.810 383 H SER 51 H SER 51 0.406 4.128 -7.968 384 HA SER 51 HA SER 51 -0.556 1.366 -8.160 385 HB2 SER 51 HB2 SER 51 -1.335 2.809 -10.537 386 HB3 SER 51 HB3 SER 51 -2.317 1.809 -9.471 387 HG SER 51 HG SER 51 -1.554 4.292 -8.495 388 H THR 52 H THR 52 2.077 2.277 -8.055 389 HA THR 52 HA THR 52 2.977 1.719 -10.816 390 HB THR 52 HB THR 52 4.526 3.434 -8.882 391 HG1 THR 52 HG1 THR 52 2.959 4.805 -9.181 392 HG21 THR 52 HG21 THR 52 5.895 3.881 -10.680 393 HG22 THR 52 HG22 THR 52 4.596 3.676 -11.855 394 HG23 THR 52 HG23 THR 52 5.361 2.262 -11.130 395 H ASP 53 H ASP 53 2.511 0.003 -8.394 396 HA ASP 53 HA ASP 53 3.531 -1.732 -7.283 397 HB2 ASP 53 HB2 ASP 53 5.480 -1.482 -9.587 398 HB3 ASP 53 HB3 ASP 53 5.363 -2.859 -8.494 399 H ARG 54 H ARG 54 5.287 -2.281 -5.878 400 HA ARG 54 HA ARG 54 6.604 -1.453 -4.121 401 HB2 ARG 54 HB2 ARG 54 8.916 -0.853 -5.169 402 HB3 ARG 54 HB3 ARG 54 8.293 -2.493 -5.356 403 HG2 ARG 54 HG2 ARG 54 7.358 -1.856 -7.573 404 HG3 ARG 54 HG3 ARG 54 8.076 -0.256 -7.392 405 HD2 ARG 54 HD2 ARG 54 10.158 -1.004 -7.888 406 HD3 ARG 54 HD3 ARG 54 9.961 -2.468 -6.929 407 HE ARG 54 HE ARG 54 8.451 -2.462 -9.403 408 HH11 ARG 54 HH21 ARG 54 11.449 -3.151 -7.819 409 HH12 ARG 54 HH22 ARG 54 11.955 -4.328 -8.985 410 HH21 ARG 54 HH11 ARG 54 9.106 -4.005 -10.936 411 HH22 ARG 54 HH12 ARG 54 10.627 -4.813 -10.750 412 H CYS 55 H CYS 55 4.792 0.569 -5.216 413 HA CYS 55 HA CYS 55 6.186 3.036 -5.559 414 HB2 CYS 55 HB2 CYS 55 3.888 4.017 -5.013 415 HB3 CYS 55 HB3 CYS 55 3.974 2.945 -6.412 416 H ASN 56 H ASN 56 4.825 1.345 -2.785 417 HA ASN 56 HA ASN 56 5.257 3.523 -0.951 418 HB2 ASN 56 HB2 ASN 56 4.921 1.531 0.726 419 HB3 ASN 56 HB3 ASN 56 3.557 2.125 -0.219 420 HD21 ASN 56 HD21 ASN 56 6.091 0.312 -1.848 421 HD22 ASN 56 HD22 ASN 56 5.184 -1.105 -2.074 422 H LYS 57 H LYS 57 7.475 4.036 -1.250 423 HA LYS 57 HA LYS 57 9.644 2.317 -1.178 424 HB2 LYS 57 HB2 LYS 57 9.196 5.173 -0.558 425 HB3 LYS 57 HB3 LYS 57 10.640 4.457 0.161 426 HG2 LYS 57 HG2 LYS 57 10.087 3.839 -2.705 427 HG3 LYS 57 HG3 LYS 57 10.659 5.463 -2.320 428 HD2 LYS 57 HD2 LYS 57 12.686 4.678 -1.434 429 HD3 LYS 57 HD3 LYS 57 12.053 3.052 -1.176 430 HE2 LYS 57 HE2 LYS 57 13.436 2.835 -3.084 431 HE3 LYS 57 HE3 LYS 57 11.805 2.947 -3.746 432 HZ1 LYS 57 HZ1 LYS 57 13.150 5.478 -3.334 433 HZ2 LYS 57 HZ2 LYS 57 12.214 4.942 -4.647 434 HZ3 LYS 57 HZ3 LYS 57 13.846 4.487 -4.521 Start of MODEL 4 1 H1 LEU 1 H1 LEU 1 2.880 -3.327 -10.172 2 H2 LEU 1 H2 LEU 1 3.432 -4.477 -11.293 3 H3 LEU 1 H3 LEU 1 4.029 -4.482 -9.702 4 HA LEU 1 HA LEU 1 1.185 -4.670 -9.751 5 HB2 LEU 1 HB2 LEU 1 2.696 -6.234 -11.689 6 HB3 LEU 1 HB3 LEU 1 1.860 -7.269 -10.530 7 HG LEU 1 HG LEU 1 0.459 -6.697 -12.527 8 HD11 LEU 1 HD11 LEU 1 -1.354 -6.854 -11.186 9 HD12 LEU 1 HD12 LEU 1 -1.028 -5.289 -10.442 10 HD13 LEU 1 HD13 LEU 1 -0.232 -6.739 -9.829 11 HD21 LEU 1 HD21 LEU 1 0.363 -4.569 -13.262 12 HD22 LEU 1 HD22 LEU 1 1.476 -4.097 -11.979 13 HD23 LEU 1 HD23 LEU 1 -0.265 -4.035 -11.703 14 H LYS 2 H LYS 2 3.531 -4.314 -8.013 15 HA LYS 2 HA LYS 2 2.866 -6.359 -6.059 16 HB2 LYS 2 HB2 LYS 2 5.069 -7.211 -5.753 17 HB3 LYS 2 HB3 LYS 2 4.760 -7.287 -7.488 18 HG2 LYS 2 HG2 LYS 2 5.792 -4.783 -7.297 19 HG3 LYS 2 HG3 LYS 2 6.653 -5.575 -5.978 20 HD2 LYS 2 HD2 LYS 2 7.925 -5.792 -8.068 21 HD3 LYS 2 HD3 LYS 2 7.357 -7.374 -7.530 22 HE2 LYS 2 HE2 LYS 2 6.063 -7.644 -9.365 23 HE3 LYS 2 HE3 LYS 2 5.417 -6.009 -9.243 24 HZ1 LYS 2 HZ1 LYS 2 8.183 -6.114 -10.028 25 HZ2 LYS 2 HZ2 LYS 2 6.895 -5.236 -10.703 26 HZ3 LYS 2 HZ3 LYS 2 7.141 -6.861 -11.137 27 H CYS 3 H CYS 3 3.889 -5.888 -3.942 28 HA CYS 3 HA CYS 3 5.164 -3.358 -3.507 29 HB2 CYS 3 HB2 CYS 3 2.216 -3.644 -2.971 30 HB3 CYS 3 HB3 CYS 3 3.211 -2.538 -2.026 31 H TYR 4 H TYR 4 4.990 -2.864 -0.998 32 HA TYR 4 HA TYR 4 5.957 -5.252 0.310 33 HB2 TYR 4 HB2 TYR 4 5.712 -2.368 1.162 34 HB3 TYR 4 HB3 TYR 4 6.298 -3.638 2.241 35 HD1 TYR 4 HD1 TYR 4 8.094 -5.263 1.097 36 HD2 TYR 4 HD2 TYR 4 7.307 -1.211 -0.086 37 HE1 TYR 4 HE1 TYR 4 10.323 -5.143 0.030 38 HE2 TYR 4 HE2 TYR 4 9.543 -1.088 -1.150 39 HH TYR 4 HH TYR 4 11.325 -3.635 -1.975 40 H GLN 5 H GLN 5 4.148 -6.553 0.474 41 HA GLN 5 HA GLN 5 1.865 -5.573 2.042 42 HB2 GLN 5 HB2 GLN 5 1.876 -7.095 -0.173 43 HB3 GLN 5 HB3 GLN 5 1.939 -8.368 1.047 44 HG2 GLN 5 HG2 GLN 5 -0.068 -6.101 1.099 45 HG3 GLN 5 HG3 GLN 5 -0.398 -7.678 0.384 46 HE21 GLN 5 HE21 GLN 5 -0.713 -5.943 3.248 47 HE22 GLN 5 HE22 GLN 5 -0.838 -7.248 4.326 48 H HIS 6 H HIS 6 4.626 -7.675 2.271 49 HA HIS 6 HA HIS 6 3.909 -8.243 5.073 50 HB2 HIS 6 HB2 HIS 6 4.785 -10.237 2.981 51 HB3 HIS 6 HB3 HIS 6 4.936 -10.550 4.711 52 HD1 HIS 6 HD1 HIS 6 2.469 -9.853 6.005 53 HD2 HIS 6 HD2 HIS 6 2.385 -11.225 2.071 54 HE1 HIS 6 HE1 HIS 6 0.112 -10.677 5.584 55 H GLY 7 H GLY 7 5.671 -6.261 3.981 56 HA2 GLY 7 HA2 GLY 7 7.693 -5.409 4.805 57 HA3 GLY 7 HA3 GLY 7 8.110 -7.019 5.387 58 H LYS 8 H LYS 8 7.076 -7.660 2.419 59 HA LYS 8 HA LYS 8 9.562 -6.947 1.018 60 HB2 LYS 8 HB2 LYS 8 8.529 -9.727 0.688 61 HB3 LYS 8 HB3 LYS 8 10.178 -9.115 0.548 62 HG2 LYS 8 HG2 LYS 8 10.178 -8.736 3.034 63 HG3 LYS 8 HG3 LYS 8 8.611 -9.545 3.105 64 HD2 LYS 8 HD2 LYS 8 10.886 -10.919 1.718 65 HD3 LYS 8 HD3 LYS 8 10.835 -10.923 3.481 66 HE2 LYS 8 HE2 LYS 8 8.674 -11.978 3.499 67 HE3 LYS 8 HE3 LYS 8 8.489 -11.756 1.759 68 HZ1 LYS 8 HZ1 LYS 8 10.240 -13.282 1.344 69 HZ2 LYS 8 HZ2 LYS 8 9.181 -14.026 2.444 70 HZ3 LYS 8 HZ3 LYS 8 10.651 -13.369 2.987 71 H VAL 9 H VAL 9 9.358 -6.776 -1.216 72 HA VAL 9 HA VAL 9 6.878 -6.008 -2.252 73 HB VAL 9 HB VAL 9 8.095 -6.445 -4.508 74 HG11 VAL 9 HG11 VAL 9 9.262 -4.582 -2.418 75 HG12 VAL 9 HG12 VAL 9 7.867 -4.234 -3.440 76 HG13 VAL 9 HG13 VAL 9 9.467 -4.420 -4.163 77 HG21 VAL 9 HG21 VAL 9 10.368 -6.995 -4.441 78 HG22 VAL 9 HG22 VAL 9 9.711 -8.035 -3.177 79 HG23 VAL 9 HG23 VAL 9 10.528 -6.533 -2.746 80 H VAL 10 H VAL 10 5.295 -7.572 -1.855 81 HA VAL 10 HA VAL 10 5.601 -10.086 -3.388 82 HB VAL 10 HB VAL 10 3.990 -11.082 -1.803 83 HG11 VAL 10 HG11 VAL 10 5.773 -11.692 -0.569 84 HG12 VAL 10 HG12 VAL 10 5.850 -10.101 0.185 85 HG13 VAL 10 HG13 VAL 10 6.688 -10.397 -1.339 86 HG21 VAL 10 HG21 VAL 10 2.826 -8.977 -1.199 87 HG22 VAL 10 HG22 VAL 10 4.273 -8.430 -0.352 88 HG23 VAL 10 HG23 VAL 10 3.386 -9.837 0.235 89 H THR 11 H THR 11 3.965 -10.718 -4.745 90 HA THR 11 HA THR 11 2.318 -8.723 -5.880 91 HB THR 11 HB THR 11 3.054 -10.692 -7.143 92 HG1 THR 11 HG1 THR 11 1.312 -10.242 -8.197 93 HG21 THR 11 HG21 THR 11 2.852 -12.782 -6.332 94 HG22 THR 11 HG22 THR 11 1.116 -12.575 -6.092 95 HG23 THR 11 HG23 THR 11 2.246 -12.073 -4.834 96 H CYS 12 H CYS 12 0.656 -7.792 -4.871 97 HA CYS 12 HA CYS 12 -0.723 -8.868 -2.664 98 HB2 CYS 12 HB2 CYS 12 -1.601 -6.730 -4.621 99 HB3 CYS 12 HB3 CYS 12 -2.350 -7.049 -3.056 100 H HIS 13 H HIS 13 -3.355 -8.755 -2.975 101 HA HIS 13 HA HIS 13 -4.012 -11.204 -4.230 102 HB2 HIS 13 HB2 HIS 13 -6.103 -9.144 -3.642 103 HB3 HIS 13 HB3 HIS 13 -6.138 -10.886 -3.375 104 HD1 HIS 13 HD1 HIS 13 -5.283 -7.691 -1.739 105 HD2 HIS 13 HD2 HIS 13 -4.541 -11.739 -1.073 106 HE1 HIS 13 HE1 HIS 13 -4.449 -7.883 0.644 107 H ARG 14 H ARG 14 -4.741 -11.673 -6.225 108 HA ARG 14 HA ARG 14 -4.319 -10.169 -8.446 109 HB2 ARG 14 HB2 ARG 14 -6.554 -12.144 -7.945 110 HB3 ARG 14 HB3 ARG 14 -6.162 -11.497 -9.538 111 HG2 ARG 14 HG2 ARG 14 -3.945 -12.442 -9.461 112 HG3 ARG 14 HG3 ARG 14 -4.143 -12.899 -7.767 113 HD2 ARG 14 HD2 ARG 14 -6.142 -14.309 -8.561 114 HD3 ARG 14 HD3 ARG 14 -5.515 -14.069 -10.188 115 HE ARG 14 HE ARG 14 -4.218 -15.601 -8.038 116 HH11 ARG 14 HH21 ARG 14 -4.257 -14.363 -11.273 117 HH12 ARG 14 HH22 ARG 14 -3.031 -15.443 -11.846 118 HH21 ARG 14 HH11 ARG 14 -2.607 -17.015 -8.786 119 HH22 ARG 14 HH12 ARG 14 -2.098 -16.942 -10.440 120 H ASP 15 H ASP 15 -6.929 -9.825 -6.168 121 HA ASP 15 HA ASP 15 -8.588 -8.181 -7.837 122 HB2 ASP 15 HB2 ASP 15 -8.948 -7.778 -4.980 123 HB3 ASP 15 HB3 ASP 15 -10.073 -8.429 -6.172 124 H MET 16 H MET 16 -6.489 -7.482 -5.027 125 HA MET 16 HA MET 16 -6.742 -4.672 -5.178 126 HB2 MET 16 HB2 MET 16 -4.773 -6.544 -3.910 127 HB3 MET 16 HB3 MET 16 -4.440 -4.815 -3.944 128 HG2 MET 16 HG2 MET 16 -5.594 -5.236 -1.886 129 HG3 MET 16 HG3 MET 16 -6.760 -4.466 -2.963 130 HE1 MET 16 HE1 MET 16 -7.587 -5.678 -0.537 131 HE2 MET 16 HE2 MET 16 -8.730 -6.999 -0.755 132 HE3 MET 16 HE3 MET 16 -8.981 -5.476 -1.605 133 H LYS 17 H LYS 17 -5.698 -3.156 -6.362 134 HA LYS 17 HA LYS 17 -3.460 -4.042 -8.072 135 HB2 LYS 17 HB2 LYS 17 -6.062 -3.232 -8.928 136 HB3 LYS 17 HB3 LYS 17 -4.909 -1.991 -9.419 137 HG2 LYS 17 HG2 LYS 17 -3.504 -3.671 -10.500 138 HG3 LYS 17 HG3 LYS 17 -4.567 -4.959 -9.937 139 HD2 LYS 17 HD2 LYS 17 -5.895 -2.777 -11.437 140 HD3 LYS 17 HD3 LYS 17 -4.800 -3.789 -12.378 141 HE2 LYS 17 HE2 LYS 17 -5.994 -5.804 -11.376 142 HE3 LYS 17 HE3 LYS 17 -7.201 -4.672 -10.764 143 HZ1 LYS 17 HZ1 LYS 17 -6.444 -5.098 -13.603 144 HZ2 LYS 17 HZ2 LYS 17 -7.507 -3.887 -13.063 145 HZ3 LYS 17 HZ3 LYS 17 -7.913 -5.525 -12.870 146 H PHE 18 H PHE 18 -4.597 -1.881 -5.766 147 HA PHE 18 HA PHE 18 -2.521 0.094 -6.501 148 HB2 PHE 18 HB2 PHE 18 -5.100 0.540 -4.987 149 HB3 PHE 18 HB3 PHE 18 -3.867 1.764 -5.276 150 HD1 PHE 18 HD2 PHE 18 -5.975 -0.721 -7.138 151 HD2 PHE 18 HD1 PHE 18 -4.012 3.100 -7.186 152 HE1 PHE 18 HE2 PHE 18 -6.964 -0.240 -9.362 153 HE2 PHE 18 HE1 PHE 18 -5.001 3.580 -9.409 154 HZ PHE 18 HZ PHE 18 -6.477 1.910 -10.498 155 H CYS 19 H CYS 19 -1.082 0.722 -4.964 156 HA CYS 19 HA CYS 19 -1.063 -0.848 -2.476 157 HB2 CYS 19 HB2 CYS 19 1.158 0.832 -3.665 158 HB3 CYS 19 HB3 CYS 19 1.295 -0.338 -2.352 159 H TYR 20 H TYR 20 -1.123 0.139 -0.477 160 HA TYR 20 HA TYR 20 -1.352 3.079 -0.513 161 HB2 TYR 20 HB2 TYR 20 -3.123 3.017 1.052 162 HB3 TYR 20 HB3 TYR 20 -3.522 1.799 -0.158 163 HD1 TYR 20 HD2 TYR 20 -3.284 -0.603 0.337 164 HD2 TYR 20 HD1 TYR 20 -2.450 2.393 3.298 165 HE1 TYR 20 HE2 TYR 20 -3.326 -2.341 2.107 166 HE2 TYR 20 HE1 TYR 20 -2.492 0.657 5.068 167 HH TYR 20 HH TYR 20 -2.077 -1.919 5.121 168 H HIS 21 H HIS 21 -0.540 4.228 1.150 169 HA HIS 21 HA HIS 21 1.186 2.759 3.055 170 HB2 HIS 21 HB2 HIS 21 2.235 4.280 1.196 171 HB3 HIS 21 HB3 HIS 21 1.707 5.601 2.239 172 HD1 HIS 21 HD1 HIS 21 4.711 4.172 1.653 173 HD2 HIS 21 HD2 HIS 21 2.474 4.329 5.167 174 HE1 HIS 21 HE1 HIS 21 6.343 3.822 3.558 175 H ASN 22 H ASN 22 -0.405 2.675 4.667 176 HA ASN 22 HA ASN 22 -1.817 5.039 5.499 177 HB2 ASN 22 HB2 ASN 22 -2.848 2.850 5.756 178 HB3 ASN 22 HB3 ASN 22 -1.529 2.323 6.795 179 HD21 ASN 22 HD21 ASN 22 -4.547 4.046 6.727 180 HD22 ASN 22 HD22 ASN 22 -4.554 4.505 8.361 181 H THR 23 H THR 23 -0.767 6.642 6.469 182 HA THR 23 HA THR 23 1.537 6.099 8.177 183 HB THR 23 HB THR 23 0.967 8.832 8.282 184 HG1 THR 23 HG1 THR 23 0.917 8.976 5.792 185 HG21 THR 23 HG21 THR 23 3.158 7.592 7.963 186 HG22 THR 23 HG22 THR 23 2.969 9.042 6.976 187 HG23 THR 23 HG23 THR 23 2.739 7.448 6.257 188 H GLY 24 H GLY 24 -1.802 6.394 8.488 189 HA2 GLY 24 HA2 GLY 24 -1.918 7.696 11.047 190 HA3 GLY 24 HA3 GLY 24 -3.225 6.813 10.265 191 H MET 25 H MET 25 -1.429 6.837 12.958 192 HA MET 25 HA MET 25 -1.971 4.030 13.511 193 HB2 MET 25 HB2 MET 25 0.398 3.750 14.414 194 HB3 MET 25 HB3 MET 25 0.229 3.746 12.659 195 HG2 MET 25 HG2 MET 25 0.852 6.124 12.580 196 HG3 MET 25 HG3 MET 25 0.993 6.154 14.338 197 HE1 MET 25 HE1 MET 25 3.308 7.208 12.739 198 HE2 MET 25 HE2 MET 25 4.687 6.408 13.490 199 HE3 MET 25 HE3 MET 25 3.348 6.964 14.491 200 HA PRO 26 HA PRO 26 -2.537 6.908 17.087 201 HB2 PRO 26 HB2 PRO 26 -5.114 6.216 17.636 202 HB3 PRO 26 HB3 PRO 26 -4.683 7.451 16.438 203 HG2 PRO 26 HG2 PRO 26 -5.533 4.637 16.032 204 HG3 PRO 26 HG3 PRO 26 -5.882 6.076 15.062 205 HD2 PRO 26 HD2 PRO 26 -3.965 4.174 14.414 206 HD3 PRO 26 HD3 PRO 26 -3.972 5.846 13.811 207 H PHE 27 H PHE 27 -3.540 3.534 16.674 208 HA PHE 27 HA PHE 27 -3.252 2.985 19.527 209 HB2 PHE 27 HB2 PHE 27 -4.857 1.914 17.552 210 HB3 PHE 27 HB3 PHE 27 -3.602 0.690 17.737 211 HD1 PHE 27 HD2 PHE 27 -2.890 0.425 20.391 212 HD2 PHE 27 HD1 PHE 27 -6.740 1.573 18.872 213 HE1 PHE 27 HE2 PHE 27 -3.951 -0.352 22.494 214 HE2 PHE 27 HE1 PHE 27 -7.802 0.796 20.974 215 HZ PHE 27 HZ PHE 27 -6.406 -0.166 22.786 216 H ARG 28 H ARG 28 -0.890 3.868 18.238 217 HA ARG 28 HA ARG 28 0.893 2.090 17.219 218 HB2 ARG 28 HB2 ARG 28 1.366 4.481 17.797 219 HB3 ARG 28 HB3 ARG 28 1.562 3.985 19.479 220 HG2 ARG 28 HG2 ARG 28 3.407 2.526 18.900 221 HG3 ARG 28 HG3 ARG 28 3.144 2.808 17.177 222 HD2 ARG 28 HD2 ARG 28 4.826 4.275 18.879 223 HD3 ARG 28 HD3 ARG 28 4.368 4.694 17.231 224 HE ARG 28 HE ARG 28 2.291 5.549 18.882 225 HH11 ARG 28 HH21 ARG 28 5.671 6.116 18.419 226 HH12 ARG 28 HH22 ARG 28 5.609 7.764 18.948 227 HH21 ARG 28 HH11 ARG 28 2.200 7.711 19.577 228 HH22 ARG 28 HH12 ARG 28 3.644 8.668 19.603 229 H ASN 29 H ASN 29 1.204 0.035 17.769 230 HA ASN 29 HA ASN 29 2.202 -0.632 20.390 231 HB2 ASN 29 HB2 ASN 29 -0.483 -0.664 20.310 232 HB3 ASN 29 HB3 ASN 29 -0.167 -2.275 19.666 233 HD21 ASN 29 HD21 ASN 29 1.366 -0.277 22.264 234 HD22 ASN 29 HD22 ASN 29 1.304 -1.506 23.433 235 H LEU 30 H LEU 30 3.938 -1.121 18.846 236 HA LEU 30 HA LEU 30 5.246 -2.674 17.761 237 HB2 LEU 30 HB2 LEU 30 3.707 -4.173 19.466 238 HB3 LEU 30 HB3 LEU 30 3.319 -4.890 17.901 239 HG LEU 30 HG LEU 30 5.797 -5.028 17.443 240 HD11 LEU 30 HD11 LEU 30 6.971 -5.051 19.895 241 HD12 LEU 30 HD12 LEU 30 5.795 -3.756 20.123 242 HD13 LEU 30 HD13 LEU 30 6.986 -3.649 18.826 243 HD21 LEU 30 HD21 LEU 30 4.198 -6.585 19.325 244 HD22 LEU 30 HD22 LEU 30 5.924 -6.715 19.666 245 HD23 LEU 30 HD23 LEU 30 5.304 -7.144 18.070 246 H LYS 31 H LYS 31 2.427 -1.480 16.714 247 HA LYS 31 HA LYS 31 2.455 -2.955 14.156 248 HB2 LYS 31 HB2 LYS 31 0.326 -1.482 15.665 249 HB3 LYS 31 HB3 LYS 31 0.207 -1.620 13.910 250 HG2 LYS 31 HG2 LYS 31 0.765 -4.048 15.605 251 HG3 LYS 31 HG3 LYS 31 -0.888 -3.479 15.364 252 HD2 LYS 31 HD2 LYS 31 -0.922 -4.095 13.165 253 HD3 LYS 31 HD3 LYS 31 0.771 -3.672 12.914 254 HE2 LYS 31 HE2 LYS 31 -0.243 -6.140 14.356 255 HE3 LYS 31 HE3 LYS 31 0.459 -6.105 12.739 256 HZ1 LYS 31 HZ1 LYS 31 1.755 -5.888 15.329 257 HZ2 LYS 31 HZ2 LYS 31 2.353 -4.858 14.117 258 HZ3 LYS 31 HZ3 LYS 31 2.336 -6.539 13.875 259 H LEU 32 H LEU 32 4.388 -1.690 13.571 260 HA LEU 32 HA LEU 32 3.890 1.145 13.001 261 HB2 LEU 32 HB2 LEU 32 6.461 -0.261 12.366 262 HB3 LEU 32 HB3 LEU 32 6.194 1.413 12.853 263 HG LEU 32 HG LEU 32 5.926 -1.039 14.616 264 HD11 LEU 32 HD11 LEU 32 7.856 1.302 14.614 265 HD12 LEU 32 HD12 LEU 32 8.245 -0.372 14.217 266 HD13 LEU 32 HD13 LEU 32 7.783 0.058 15.862 267 HD21 LEU 32 HD21 LEU 32 5.464 0.608 16.418 268 HD22 LEU 32 HD22 LEU 32 4.219 0.644 15.170 269 HD23 LEU 32 HD23 LEU 32 5.455 1.901 15.217 270 H ILE 33 H ILE 33 5.046 1.815 10.817 271 HA ILE 33 HA ILE 33 4.351 1.931 8.569 272 HB ILE 33 HB ILE 33 6.224 -0.346 9.054 273 HG12 ILE 33 HG12 ILE 33 6.706 2.233 8.926 274 HG13 ILE 33 HG13 ILE 33 7.798 1.110 8.113 275 HG21 ILE 33 HG21 ILE 33 4.698 0.209 6.529 276 HG22 ILE 33 HG22 ILE 33 5.181 -1.339 7.222 277 HG23 ILE 33 HG23 ILE 33 6.377 -0.321 6.418 278 HD11 ILE 33 HD11 ILE 33 6.917 3.172 6.781 279 HD12 ILE 33 HD12 ILE 33 5.424 2.245 6.651 280 HD13 ILE 33 HD13 ILE 33 6.924 1.596 5.990 281 H LEU 34 H LEU 34 2.176 1.669 8.262 282 HA LEU 34 HA LEU 34 1.094 -1.067 8.213 283 HB2 LEU 34 HB2 LEU 34 -0.057 1.645 8.629 284 HB3 LEU 34 HB3 LEU 34 -1.079 0.451 7.829 285 HG LEU 34 HG LEU 34 0.407 -0.367 10.295 286 HD11 LEU 34 HD11 LEU 34 -0.572 1.711 11.030 287 HD12 LEU 34 HD12 LEU 34 -1.608 0.411 11.621 288 HD13 LEU 34 HD13 LEU 34 -2.089 1.349 10.208 289 HD21 LEU 34 HD21 LEU 34 -2.442 -1.001 9.579 290 HD22 LEU 34 HD22 LEU 34 -1.261 -1.996 10.434 291 HD23 LEU 34 HD23 LEU 34 -1.135 -1.782 8.688 292 H GLN 35 H GLN 35 2.732 -0.766 6.146 293 HA GLN 35 HA GLN 35 1.357 0.295 3.825 294 HB2 GLN 35 HB2 GLN 35 3.966 0.059 4.375 295 HB3 GLN 35 HB3 GLN 35 3.731 -1.469 3.526 296 HG2 GLN 35 HG2 GLN 35 2.811 1.201 2.440 297 HG3 GLN 35 HG3 GLN 35 4.361 0.467 2.029 298 HE21 GLN 35 HE21 GLN 35 4.019 -2.028 1.336 299 HE22 GLN 35 HE22 GLN 35 2.753 -2.276 0.232 300 H GLY 36 H GLY 36 0.020 -0.789 2.543 301 HA2 GLY 36 HA2 GLY 36 0.271 -3.647 2.133 302 HA3 GLY 36 HA3 GLY 36 -1.187 -3.161 2.995 303 H CYS 37 H CYS 37 -2.061 -4.245 0.942 304 HA CYS 37 HA CYS 37 -2.190 -2.306 -1.280 305 HB2 CYS 37 HB2 CYS 37 -3.372 -4.954 -1.719 306 HB3 CYS 37 HB3 CYS 37 -2.242 -4.043 -2.721 307 H SER 38 H SER 38 -4.320 -2.169 -2.394 308 HA SER 38 HA SER 38 -6.700 -2.950 -1.000 309 HB2 SER 38 HB2 SER 38 -5.598 -0.831 0.204 310 HB3 SER 38 HB3 SER 38 -6.456 0.015 -1.080 311 HG SER 38 HG SER 38 -7.811 -0.249 0.699 312 H SER 39 H SER 39 -8.304 -3.090 -2.437 313 HA SER 39 HA SER 39 -7.896 -2.301 -5.155 314 HB2 SER 39 HB2 SER 39 -10.629 -2.989 -4.235 315 HB3 SER 39 HB3 SER 39 -9.717 -3.593 -5.615 316 HG SER 39 HG SER 39 -9.586 -4.347 -2.900 317 H SER 40 H SER 40 -8.846 -0.660 -6.323 318 HA SER 40 HA SER 40 -9.397 1.603 -6.494 319 HB2 SER 40 HB2 SER 40 -11.486 0.239 -6.858 320 HB3 SER 40 HB3 SER 40 -11.902 0.539 -5.172 321 HG SER 40 HG SER 40 -12.357 2.090 -7.240 322 H CYS 41 H CYS 41 -7.765 1.521 -4.388 323 HA CYS 41 HA CYS 41 -8.637 2.150 -1.849 324 HB2 CYS 41 HB2 CYS 41 -6.269 1.831 -2.454 325 HB3 CYS 41 HB3 CYS 41 -6.286 3.375 -3.307 326 H SER 42 H SER 42 -8.318 4.417 -0.825 327 HA SER 42 HA SER 42 -9.612 6.463 -2.519 328 HB2 SER 42 HB2 SER 42 -11.173 5.290 -0.858 329 HB3 SER 42 HB3 SER 42 -10.249 6.095 0.405 330 HG SER 42 HG SER 42 -12.040 7.344 -0.240 331 H GLU 43 H GLU 43 -7.439 7.295 -2.779 332 HA GLU 43 HA GLU 43 -5.502 7.976 -1.094 333 HB2 GLU 43 HB2 GLU 43 -5.740 8.767 -3.474 334 HB3 GLU 43 HB3 GLU 43 -6.757 10.075 -2.871 335 HG2 GLU 43 HG2 GLU 43 -4.182 9.710 -1.455 336 HG3 GLU 43 HG3 GLU 43 -4.058 10.268 -3.122 337 H THR 44 H THR 44 -5.397 8.766 0.895 338 HA THR 44 HA THR 44 -7.282 10.899 1.681 339 HB THR 44 HB THR 44 -6.439 9.091 3.843 340 HG1 THR 44 HG1 THR 44 -8.475 8.142 2.182 341 HG21 THR 44 HG21 THR 44 -8.918 9.288 4.313 342 HG22 THR 44 HG22 THR 44 -9.033 10.324 2.890 343 HG23 THR 44 HG23 THR 44 -8.051 10.824 4.268 344 H GLU 45 H GLU 45 -6.469 11.836 3.901 345 HA GLU 45 HA GLU 45 -3.858 12.908 3.404 346 HB2 GLU 45 HB2 GLU 45 -5.846 14.071 4.547 347 HB3 GLU 45 HB3 GLU 45 -5.382 13.172 5.992 348 HG2 GLU 45 HG2 GLU 45 -2.966 14.120 5.321 349 HG3 GLU 45 HG3 GLU 45 -3.954 15.386 4.595 350 H ASN 46 H ASN 46 -5.108 10.258 5.253 351 HA ASN 46 HA ASN 46 -2.473 9.900 6.541 352 HB2 ASN 46 HB2 ASN 46 -4.916 10.003 7.754 353 HB3 ASN 46 HB3 ASN 46 -4.736 8.271 7.493 354 HD21 ASN 46 HD21 ASN 46 -4.600 9.699 10.096 355 HD22 ASN 46 HD22 ASN 46 -3.056 9.379 10.724 356 H ASN 47 H ASN 47 -4.889 8.500 4.456 357 HA ASN 47 HA ASN 47 -3.183 6.103 4.140 358 HB2 ASN 47 HB2 ASN 47 -5.108 5.104 4.858 359 HB3 ASN 47 HB3 ASN 47 -6.127 6.438 4.322 360 HD21 ASN 47 HD21 ASN 47 -7.614 5.173 3.066 361 HD22 ASN 47 HD22 ASN 47 -7.142 4.326 1.673 362 H LYS 48 H LYS 48 -1.919 6.810 2.452 363 HA LYS 48 HA LYS 48 -3.166 7.987 0.090 364 HB2 LYS 48 HB2 LYS 48 -0.270 7.201 0.455 365 HB3 LYS 48 HB3 LYS 48 -0.938 8.349 -0.705 366 HG2 LYS 48 HG2 LYS 48 -0.844 10.023 0.799 367 HG3 LYS 48 HG3 LYS 48 -1.716 9.064 1.996 368 HD2 LYS 48 HD2 LYS 48 0.274 8.100 2.844 369 HD3 LYS 48 HD3 LYS 48 1.208 8.578 1.426 370 HE2 LYS 48 HE2 LYS 48 -0.034 10.549 3.365 371 HE3 LYS 48 HE3 LYS 48 1.641 10.005 3.456 372 HZ1 LYS 48 HZ1 LYS 48 1.667 10.717 0.975 373 HZ2 LYS 48 HZ2 LYS 48 1.836 11.889 2.193 374 HZ3 LYS 48 HZ3 LYS 48 0.338 11.673 1.419 375 H CYS 49 H CYS 49 -2.709 7.076 -2.077 376 HA CYS 49 HA CYS 49 -2.151 4.207 -2.133 377 HB2 CYS 49 HB2 CYS 49 -4.512 4.930 -3.728 378 HB3 CYS 49 HB3 CYS 49 -4.189 3.488 -2.764 379 H CYS 50 H CYS 50 -0.988 3.647 -3.829 380 HA CYS 50 HA CYS 50 -0.771 5.573 -6.062 381 HB2 CYS 50 HB2 CYS 50 1.475 5.023 -6.285 382 HB3 CYS 50 HB3 CYS 50 1.264 4.899 -4.538 383 H SER 51 H SER 51 0.352 4.073 -7.991 384 HA SER 51 HA SER 51 -1.312 1.675 -8.328 385 HB2 SER 51 HB2 SER 51 -2.238 2.364 -10.379 386 HB3 SER 51 HB3 SER 51 -2.389 3.786 -9.351 387 HG SER 51 HG SER 51 -0.140 3.329 -11.006 388 H THR 52 H THR 52 1.531 2.127 -7.828 389 HA THR 52 HA THR 52 2.614 0.899 -10.290 390 HB THR 52 HB THR 52 4.453 2.405 -8.507 391 HG1 THR 52 HG1 THR 52 3.859 4.325 -9.695 392 HG21 THR 52 HG21 THR 52 5.731 2.546 -10.418 393 HG22 THR 52 HG22 THR 52 4.325 2.665 -11.475 394 HG23 THR 52 HG23 THR 52 4.801 1.101 -10.815 395 H ASP 53 H ASP 53 5.042 0.108 -9.454 396 HA ASP 53 HA ASP 53 4.377 -1.922 -7.439 397 HB2 ASP 53 HB2 ASP 53 6.905 -2.510 -8.391 398 HB3 ASP 53 HB3 ASP 53 5.396 -3.213 -8.972 399 H ARG 54 H ARG 54 5.760 -2.362 -5.674 400 HA ARG 54 HA ARG 54 6.751 -1.485 -3.746 401 HB2 ARG 54 HB2 ARG 54 9.164 -1.214 -4.105 402 HB3 ARG 54 HB3 ARG 54 8.553 -2.607 -4.997 403 HG2 ARG 54 HG2 ARG 54 8.600 -1.436 -7.069 404 HG3 ARG 54 HG3 ARG 54 8.795 0.123 -6.268 405 HD2 ARG 54 HD2 ARG 54 11.037 -0.209 -5.855 406 HD3 ARG 54 HD3 ARG 54 10.866 -1.960 -5.751 407 HE ARG 54 HE ARG 54 11.214 -0.388 -8.198 408 HH11 ARG 54 HH21 ARG 54 10.551 -3.403 -6.640 409 HH12 ARG 54 HH22 ARG 54 10.928 -4.365 -8.031 410 HH21 ARG 54 HH11 ARG 54 11.707 -1.640 -10.029 411 HH22 ARG 54 HH12 ARG 54 11.583 -3.365 -9.952 412 H CYS 55 H CYS 55 5.113 0.487 -4.950 413 HA CYS 55 HA CYS 55 6.600 2.953 -5.166 414 HB2 CYS 55 HB2 CYS 55 4.536 3.971 -5.643 415 HB3 CYS 55 HB3 CYS 55 4.363 2.348 -6.309 416 H ASN 56 H ASN 56 4.667 1.306 -2.723 417 HA ASN 56 HA ASN 56 4.871 3.551 -0.882 418 HB2 ASN 56 HB2 ASN 56 3.756 0.771 -0.458 419 HB3 ASN 56 HB3 ASN 56 3.563 2.147 0.624 420 HD21 ASN 56 HD21 ASN 56 3.305 3.979 -1.837 421 HD22 ASN 56 HD22 ASN 56 1.711 3.729 -2.365 422 H LYS 57 H LYS 57 6.816 3.869 0.000 423 HA LYS 57 HA LYS 57 8.793 1.886 0.373 424 HB2 LYS 57 HB2 LYS 57 8.390 4.700 1.281 425 HB3 LYS 57 HB3 LYS 57 9.612 3.730 2.105 426 HG2 LYS 57 HG2 LYS 57 10.591 3.153 -0.124 427 HG3 LYS 57 HG3 LYS 57 9.439 4.258 -0.875 428 HD2 LYS 57 HD2 LYS 57 10.464 5.881 1.039 429 HD3 LYS 57 HD3 LYS 57 11.864 4.856 0.724 430 HE2 LYS 57 HE2 LYS 57 12.190 6.453 -0.914 431 HE3 LYS 57 HE3 LYS 57 11.180 5.318 -1.810 432 HZ1 LYS 57 HZ1 LYS 57 9.975 7.501 -0.233 433 HZ2 LYS 57 HZ2 LYS 57 9.310 6.632 -1.534 434 HZ3 LYS 57 HZ3 LYS 57 10.533 7.777 -1.810 Start of MODEL 5 1 H1 LEU 1 H1 LEU 1 2.224 -5.644 -11.765 2 H2 LEU 1 H2 LEU 1 1.799 -7.118 -11.037 3 H3 LEU 1 H3 LEU 1 3.237 -6.331 -10.590 4 HA LEU 1 HA LEU 1 1.751 -4.403 -9.879 5 HB2 LEU 1 HB2 LEU 1 -0.170 -6.173 -10.942 6 HB3 LEU 1 HB3 LEU 1 -0.389 -6.231 -9.192 7 HG LEU 1 HG LEU 1 -0.234 -3.677 -10.819 8 HD11 LEU 1 HD11 LEU 1 -2.301 -4.637 -11.420 9 HD12 LEU 1 HD12 LEU 1 -2.718 -3.599 -10.056 10 HD13 LEU 1 HD13 LEU 1 -2.543 -5.338 -9.819 11 HD21 LEU 1 HD21 LEU 1 -0.478 -2.531 -8.835 12 HD22 LEU 1 HD22 LEU 1 0.371 -3.946 -8.213 13 HD23 LEU 1 HD23 LEU 1 -1.384 -3.836 -8.072 14 H LYS 2 H LYS 2 3.125 -4.406 -8.155 15 HA LYS 2 HA LYS 2 2.482 -6.202 -5.953 16 HB2 LYS 2 HB2 LYS 2 4.719 -7.026 -5.645 17 HB3 LYS 2 HB3 LYS 2 4.247 -7.376 -7.308 18 HG2 LYS 2 HG2 LYS 2 5.367 -4.782 -7.353 19 HG3 LYS 2 HG3 LYS 2 6.443 -5.757 -6.352 20 HD2 LYS 2 HD2 LYS 2 5.444 -6.753 -9.024 21 HD3 LYS 2 HD3 LYS 2 6.890 -5.752 -8.891 22 HE2 LYS 2 HE2 LYS 2 8.120 -7.422 -7.951 23 HE3 LYS 2 HE3 LYS 2 6.763 -8.018 -6.995 24 HZ1 LYS 2 HZ1 LYS 2 7.768 -9.179 -9.241 25 HZ2 LYS 2 HZ2 LYS 2 6.379 -8.382 -9.808 26 HZ3 LYS 2 HZ3 LYS 2 6.258 -9.511 -8.545 27 H CYS 3 H CYS 3 3.396 -5.517 -3.935 28 HA CYS 3 HA CYS 3 4.801 -2.980 -3.810 29 HB2 CYS 3 HB2 CYS 3 2.499 -2.795 -2.058 30 HB3 CYS 3 HB3 CYS 3 3.088 -1.639 -3.254 31 H TYR 4 H TYR 4 4.207 -2.448 -1.093 32 HA TYR 4 HA TYR 4 5.626 -4.697 0.154 33 HB2 TYR 4 HB2 TYR 4 5.300 -1.794 0.842 34 HB3 TYR 4 HB3 TYR 4 5.817 -2.953 2.065 35 HD1 TYR 4 HD2 TYR 4 7.763 -4.562 1.372 36 HD2 TYR 4 HD1 TYR 4 6.894 -0.842 -0.584 37 HE1 TYR 4 HE2 TYR 4 10.067 -4.504 0.464 38 HE2 TYR 4 HE1 TYR 4 9.200 -0.780 -1.495 39 HH TYR 4 HH TYR 4 11.447 -1.748 -0.871 40 H GLN 5 H GLN 5 3.987 -6.142 0.553 41 HA GLN 5 HA GLN 5 1.659 -5.234 2.085 42 HB2 GLN 5 HB2 GLN 5 1.680 -6.917 0.050 43 HB3 GLN 5 HB3 GLN 5 2.063 -8.090 1.312 44 HG2 GLN 5 HG2 GLN 5 0.079 -7.312 2.598 45 HG3 GLN 5 HG3 GLN 5 -0.324 -6.221 1.274 46 HE21 GLN 5 HE21 GLN 5 0.708 -8.377 -0.690 47 HE22 GLN 5 HE22 GLN 5 -0.576 -9.486 -0.774 48 H HIS 6 H HIS 6 4.451 -7.394 2.387 49 HA HIS 6 HA HIS 6 3.847 -7.581 5.279 50 HB2 HIS 6 HB2 HIS 6 3.980 -9.692 3.430 51 HB3 HIS 6 HB3 HIS 6 5.494 -9.765 4.328 52 HD1 HIS 6 HD1 HIS 6 5.261 -9.883 6.999 53 HD2 HIS 6 HD2 HIS 6 1.736 -10.522 4.868 54 HE1 HIS 6 HE1 HIS 6 3.620 -10.922 8.624 55 H GLY 7 H GLY 7 5.375 -5.502 4.244 56 HA2 GLY 7 HA2 GLY 7 7.329 -4.428 4.897 57 HA3 GLY 7 HA3 GLY 7 7.861 -5.927 5.656 58 H LYS 8 H LYS 8 7.050 -7.130 2.875 59 HA LYS 8 HA LYS 8 9.555 -6.402 1.482 60 HB2 LYS 8 HB2 LYS 8 8.493 -9.134 1.079 61 HB3 LYS 8 HB3 LYS 8 10.161 -8.583 1.229 62 HG2 LYS 8 HG2 LYS 8 8.212 -8.762 3.543 63 HG3 LYS 8 HG3 LYS 8 9.411 -9.994 3.158 64 HD2 LYS 8 HD2 LYS 8 10.436 -7.216 3.354 65 HD3 LYS 8 HD3 LYS 8 9.899 -7.949 4.866 66 HE2 LYS 8 HE2 LYS 8 11.318 -9.963 4.286 67 HE3 LYS 8 HE3 LYS 8 11.978 -9.026 2.946 68 HZ1 LYS 8 HZ1 LYS 8 12.601 -8.888 5.719 69 HZ2 LYS 8 HZ2 LYS 8 12.137 -7.367 5.121 70 HZ3 LYS 8 HZ3 LYS 8 13.422 -8.212 4.398 71 H VAL 9 H VAL 9 9.509 -6.607 -0.816 72 HA VAL 9 HA VAL 9 7.069 -5.724 -1.991 73 HB VAL 9 HB VAL 9 9.610 -6.715 -3.305 74 HG11 VAL 9 HG11 VAL 9 7.764 -6.763 -4.879 75 HG12 VAL 9 HG12 VAL 9 8.752 -5.345 -5.232 76 HG13 VAL 9 HG13 VAL 9 7.229 -5.163 -4.363 77 HG21 VAL 9 HG21 VAL 9 10.027 -4.792 -1.859 78 HG22 VAL 9 HG22 VAL 9 8.643 -3.940 -2.544 79 HG23 VAL 9 HG23 VAL 9 10.061 -4.264 -3.542 80 H VAL 10 H VAL 10 5.396 -7.134 -2.000 81 HA VAL 10 HA VAL 10 5.873 -9.747 -3.306 82 HB VAL 10 HB VAL 10 4.425 -10.841 -1.815 83 HG11 VAL 10 HG11 VAL 10 6.660 -9.591 -0.873 84 HG12 VAL 10 HG12 VAL 10 5.687 -10.710 0.081 85 HG13 VAL 10 HG13 VAL 10 5.441 -8.971 0.242 86 HG21 VAL 10 HG21 VAL 10 2.531 -9.440 -1.705 87 HG22 VAL 10 HG22 VAL 10 3.477 -8.051 -1.171 88 HG23 VAL 10 HG23 VAL 10 3.168 -9.389 -0.062 89 H THR 11 H THR 11 4.140 -10.576 -4.565 90 HA THR 11 HA THR 11 2.667 -8.507 -5.944 91 HB THR 11 HB THR 11 3.598 -10.250 -7.300 92 HG1 THR 11 HG1 THR 11 1.165 -11.317 -7.522 93 HG21 THR 11 HG21 THR 11 2.838 -11.893 -5.072 94 HG22 THR 11 HG22 THR 11 3.862 -12.310 -6.446 95 HG23 THR 11 HG23 THR 11 2.118 -12.552 -6.540 96 H CYS 12 H CYS 12 0.904 -7.711 -4.959 97 HA CYS 12 HA CYS 12 -0.703 -9.120 -3.105 98 HB2 CYS 12 HB2 CYS 12 -1.634 -6.788 -4.783 99 HB3 CYS 12 HB3 CYS 12 -2.154 -7.236 -3.158 100 H HIS 13 H HIS 13 -2.960 -9.756 -3.387 101 HA HIS 13 HA HIS 13 -3.370 -11.617 -5.391 102 HB2 HIS 13 HB2 HIS 13 -5.022 -10.317 -3.352 103 HB3 HIS 13 HB3 HIS 13 -5.936 -10.814 -4.777 104 HD1 HIS 13 HD1 HIS 13 -3.800 -12.195 -1.998 105 HD2 HIS 13 HD2 HIS 13 -6.109 -13.615 -5.166 106 HE1 HIS 13 HE1 HIS 13 -4.002 -14.698 -1.671 107 H ARG 14 H ARG 14 -5.361 -11.509 -6.917 108 HA ARG 14 HA ARG 14 -4.758 -9.621 -8.956 109 HB2 ARG 14 HB2 ARG 14 -5.772 -11.979 -9.188 110 HB3 ARG 14 HB3 ARG 14 -7.312 -11.213 -8.802 111 HG2 ARG 14 HG2 ARG 14 -7.083 -9.695 -10.695 112 HG3 ARG 14 HG3 ARG 14 -5.475 -10.329 -11.046 113 HD2 ARG 14 HD2 ARG 14 -7.457 -11.255 -12.429 114 HD3 ARG 14 HD3 ARG 14 -6.316 -12.414 -11.753 115 HE ARG 14 HE ARG 14 -7.962 -13.059 -10.171 116 HH11 ARG 14 HH21 ARG 14 -8.971 -10.505 -12.278 117 HH12 ARG 14 HH22 ARG 14 -10.653 -10.673 -11.901 118 HH21 ARG 14 HH11 ARG 14 -10.165 -13.284 -9.673 119 HH22 ARG 14 HH12 ARG 14 -11.330 -12.248 -10.427 120 H ASP 15 H ASP 15 -7.385 -9.898 -6.592 121 HA ASP 15 HA ASP 15 -9.061 -7.870 -7.471 122 HB2 ASP 15 HB2 ASP 15 -8.812 -7.792 -4.592 123 HB3 ASP 15 HB3 ASP 15 -10.152 -8.371 -5.579 124 H MET 16 H MET 16 -6.371 -7.585 -5.137 125 HA MET 16 HA MET 16 -6.493 -4.811 -4.795 126 HB2 MET 16 HB2 MET 16 -4.139 -6.707 -4.650 127 HB3 MET 16 HB3 MET 16 -4.104 -5.036 -4.099 128 HG2 MET 16 HG2 MET 16 -5.268 -5.509 -2.210 129 HG3 MET 16 HG3 MET 16 -6.391 -6.566 -3.066 130 HE1 MET 16 HE1 MET 16 -6.275 -7.471 -0.732 131 HE2 MET 16 HE2 MET 16 -5.302 -8.883 -0.330 132 HE3 MET 16 HE3 MET 16 -6.453 -8.966 -1.661 133 H LYS 17 H LYS 17 -6.009 -3.163 -6.098 134 HA LYS 17 HA LYS 17 -4.234 -3.662 -8.407 135 HB2 LYS 17 HB2 LYS 17 -6.541 -1.743 -8.564 136 HB3 LYS 17 HB3 LYS 17 -5.665 -2.537 -9.874 137 HG2 LYS 17 HG2 LYS 17 -6.589 -4.734 -8.696 138 HG3 LYS 17 HG3 LYS 17 -7.823 -3.620 -8.107 139 HD2 LYS 17 HD2 LYS 17 -7.718 -2.882 -10.719 140 HD3 LYS 17 HD3 LYS 17 -7.320 -4.594 -10.859 141 HE2 LYS 17 HE2 LYS 17 -9.340 -5.074 -9.401 142 HE3 LYS 17 HE3 LYS 17 -9.781 -3.376 -9.585 143 HZ1 LYS 17 HZ1 LYS 17 -10.838 -4.108 -11.401 144 HZ2 LYS 17 HZ2 LYS 17 -9.933 -5.542 -11.493 145 HZ3 LYS 17 HZ3 LYS 17 -9.303 -4.094 -12.119 146 H PHE 18 H PHE 18 -4.654 -2.011 -5.586 147 HA PHE 18 HA PHE 18 -2.818 0.113 -6.469 148 HB2 PHE 18 HB2 PHE 18 -5.263 0.595 -4.754 149 HB3 PHE 18 HB3 PHE 18 -4.065 1.799 -5.223 150 HD1 PHE 18 HD2 PHE 18 -6.811 -0.360 -6.412 151 HD2 PHE 18 HD1 PHE 18 -3.974 2.682 -7.483 152 HE1 PHE 18 HE2 PHE 18 -8.040 0.039 -8.529 153 HE2 PHE 18 HE1 PHE 18 -5.203 3.081 -9.601 154 HZ PHE 18 HZ PHE 18 -7.236 1.760 -10.123 155 H CYS 19 H CYS 19 -1.269 0.645 -5.013 156 HA CYS 19 HA CYS 19 -1.202 -0.925 -2.523 157 HB2 CYS 19 HB2 CYS 19 1.104 0.672 -3.613 158 HB3 CYS 19 HB3 CYS 19 1.138 -0.759 -2.585 159 H TYR 20 H TYR 20 -1.179 0.083 -0.536 160 HA TYR 20 HA TYR 20 -1.266 3.037 -0.600 161 HB2 TYR 20 HB2 TYR 20 -2.872 2.984 1.213 162 HB3 TYR 20 HB3 TYR 20 -3.466 2.014 -0.127 163 HD1 TYR 20 HD2 TYR 20 -1.870 1.866 3.220 164 HD2 TYR 20 HD1 TYR 20 -3.793 -0.347 0.082 165 HE1 TYR 20 HE2 TYR 20 -2.064 -0.097 4.723 166 HE2 TYR 20 HE1 TYR 20 -3.991 -2.310 1.585 167 HH TYR 20 HH TYR 20 -3.394 -2.099 4.961 168 H HIS 21 H HIS 21 -0.268 4.179 0.991 169 HA HIS 21 HA HIS 21 1.487 2.648 2.818 170 HB2 HIS 21 HB2 HIS 21 2.509 4.036 0.839 171 HB3 HIS 21 HB3 HIS 21 2.148 5.419 1.871 172 HD1 HIS 21 HD1 HIS 21 3.010 2.249 3.592 173 HD2 HIS 21 HD2 HIS 21 5.007 5.686 2.332 174 HE1 HIS 21 HE1 HIS 21 5.263 2.234 4.749 175 H ASN 22 H ASN 22 0.663 2.822 4.815 176 HA ASN 22 HA ASN 22 -0.976 5.069 5.582 177 HB2 ASN 22 HB2 ASN 22 -1.606 2.945 6.462 178 HB3 ASN 22 HB3 ASN 22 0.022 2.641 7.069 179 HD21 ASN 22 HD21 ASN 22 0.789 4.178 8.843 180 HD22 ASN 22 HD22 ASN 22 -0.373 4.809 9.908 181 H THR 23 H THR 23 -0.529 6.663 7.050 182 HA THR 23 HA THR 23 2.300 6.937 7.872 183 HB THR 23 HB THR 23 1.073 9.490 7.832 184 HG1 THR 23 HG1 THR 23 -0.466 8.680 6.424 185 HG21 THR 23 HG21 THR 23 3.394 9.278 7.420 186 HG22 THR 23 HG22 THR 23 2.716 9.757 5.863 187 HG23 THR 23 HG23 THR 23 3.144 8.071 6.158 188 H GLY 24 H GLY 24 -1.034 6.984 8.758 189 HA2 GLY 24 HA2 GLY 24 -2.083 7.098 10.805 190 HA3 GLY 24 HA3 GLY 24 -0.505 6.810 11.529 191 H MET 25 H MET 25 -1.126 8.294 13.213 192 HA MET 25 HA MET 25 -1.000 11.133 12.389 193 HB2 MET 25 HB2 MET 25 -3.140 10.406 13.477 194 HB3 MET 25 HB3 MET 25 -2.211 10.023 14.927 195 HG2 MET 25 HG2 MET 25 -2.769 12.194 15.447 196 HG3 MET 25 HG3 MET 25 -1.306 12.516 14.518 197 HE1 MET 25 HE1 MET 25 -3.487 15.433 13.540 198 HE2 MET 25 HE2 MET 25 -2.485 14.724 14.805 199 HE3 MET 25 HE3 MET 25 -4.238 14.556 14.882 200 HA PRO 26 HA PRO 26 2.811 10.488 14.803 201 HB2 PRO 26 HB2 PRO 26 4.353 12.229 13.402 202 HB3 PRO 26 HB3 PRO 26 4.018 10.581 12.837 203 HG2 PRO 26 HG2 PRO 26 2.861 13.159 11.943 204 HG3 PRO 26 HG3 PRO 26 3.217 11.694 11.015 205 HD2 PRO 26 HD2 PRO 26 0.685 12.443 11.940 206 HD3 PRO 26 HD3 PRO 26 1.145 10.808 11.416 207 H PHE 27 H PHE 27 1.466 11.591 16.495 208 HA PHE 27 HA PHE 27 2.403 14.367 16.883 209 HB2 PHE 27 HB2 PHE 27 0.013 14.369 16.238 210 HB3 PHE 27 HB3 PHE 27 -0.340 13.305 17.600 211 HD1 PHE 27 HD1 PHE 27 0.965 16.665 16.674 212 HD2 PHE 27 HD2 PHE 27 -0.524 14.153 19.823 213 HE1 PHE 27 HE1 PHE 27 0.825 18.632 18.177 214 HE2 PHE 27 HE2 PHE 27 -0.664 16.121 21.326 215 HZ PHE 27 HZ PHE 27 0.010 18.360 20.502 216 H ARG 28 H ARG 28 4.089 13.051 18.055 217 HA ARG 28 HA ARG 28 5.050 12.423 20.044 218 HB2 ARG 28 HB2 ARG 28 4.015 14.495 20.888 219 HB3 ARG 28 HB3 ARG 28 2.529 13.610 21.232 220 HG2 ARG 28 HG2 ARG 28 3.358 12.834 23.177 221 HG3 ARG 28 HG3 ARG 28 4.821 12.252 22.381 222 HD2 ARG 28 HD2 ARG 28 4.423 15.179 22.990 223 HD3 ARG 28 HD3 ARG 28 5.097 14.077 24.188 224 HE ARG 28 HE ARG 28 6.369 14.111 21.549 225 HH11 ARG 28 HH21 ARG 28 6.326 15.081 24.871 226 HH12 ARG 28 HH22 ARG 28 8.009 15.485 24.918 227 HH21 ARG 28 HH11 ARG 28 8.578 14.637 21.603 228 HH22 ARG 28 HH12 ARG 28 9.285 15.232 23.068 229 H ASN 29 H ASN 29 3.726 10.440 18.636 230 HA ASN 29 HA ASN 29 2.817 8.710 20.840 231 HB2 ASN 29 HB2 ASN 29 1.078 7.751 19.358 232 HB3 ASN 29 HB3 ASN 29 0.789 9.453 19.715 233 HD21 ASN 29 HD21 ASN 29 1.451 7.164 17.160 234 HD22 ASN 29 HD22 ASN 29 1.458 8.289 15.889 235 H LEU 30 H LEU 30 2.323 6.436 19.337 236 HA LEU 30 HA LEU 30 5.052 5.686 18.605 237 HB2 LEU 30 HB2 LEU 30 2.842 3.706 18.462 238 HB3 LEU 30 HB3 LEU 30 4.470 3.537 19.120 239 HG LEU 30 HG LEU 30 2.258 5.144 20.434 240 HD11 LEU 30 HD11 LEU 30 3.365 2.472 21.319 241 HD12 LEU 30 HD12 LEU 30 1.925 2.609 20.310 242 HD13 LEU 30 HD13 LEU 30 1.938 3.310 21.928 243 HD21 LEU 30 HD21 LEU 30 5.094 4.406 21.166 244 HD22 LEU 30 HD22 LEU 30 3.910 4.825 22.405 245 HD23 LEU 30 HD23 LEU 30 4.342 6.001 21.165 246 H LYS 31 H LYS 31 5.690 5.833 16.561 247 HA LYS 31 HA LYS 31 3.820 6.149 14.395 248 HB2 LYS 31 HB2 LYS 31 5.932 7.338 14.315 249 HB3 LYS 31 HB3 LYS 31 6.829 5.824 14.430 250 HG2 LYS 31 HG2 LYS 31 6.542 5.349 12.229 251 HG3 LYS 31 HG3 LYS 31 4.857 5.875 12.244 252 HD2 LYS 31 HD2 LYS 31 5.554 8.217 12.136 253 HD3 LYS 31 HD3 LYS 31 7.250 7.738 12.215 254 HE2 LYS 31 HE2 LYS 31 5.860 8.143 9.884 255 HE3 LYS 31 HE3 LYS 31 7.310 7.148 10.022 256 HZ1 LYS 31 HZ1 LYS 31 4.484 6.277 10.057 257 HZ2 LYS 31 HZ2 LYS 31 5.737 5.281 10.628 258 HZ3 LYS 31 HZ3 LYS 31 5.723 5.789 9.006 259 H LEU 32 H LEU 32 2.618 4.317 14.067 260 HA LEU 32 HA LEU 32 3.980 1.738 13.817 261 HB2 LEU 32 HB2 LEU 32 1.084 2.569 13.900 262 HB3 LEU 32 HB3 LEU 32 1.575 0.930 13.465 263 HG LEU 32 HG LEU 32 2.507 2.297 15.998 264 HD11 LEU 32 HD11 LEU 32 0.050 0.634 15.450 265 HD12 LEU 32 HD12 LEU 32 0.165 2.172 16.305 266 HD13 LEU 32 HD13 LEU 32 0.777 0.697 17.056 267 HD21 LEU 32 HD21 LEU 32 2.445 -0.442 16.366 268 HD22 LEU 32 HD22 LEU 32 3.881 0.490 15.940 269 HD23 LEU 32 HD23 LEU 32 2.931 -0.295 14.677 270 H ILE 33 H ILE 33 3.601 0.373 11.952 271 HA ILE 33 HA ILE 33 3.420 1.967 9.475 272 HB ILE 33 HB ILE 33 4.683 -0.755 9.834 273 HG12 ILE 33 HG12 ILE 33 5.883 0.848 11.222 274 HG13 ILE 33 HG13 ILE 33 6.836 0.533 9.771 275 HG21 ILE 33 HG21 ILE 33 5.547 -0.438 7.660 276 HG22 ILE 33 HG22 ILE 33 5.220 1.295 7.687 277 HG23 ILE 33 HG23 ILE 33 3.888 0.148 7.534 278 HD11 ILE 33 HD11 ILE 33 5.633 2.583 8.763 279 HD12 ILE 33 HD12 ILE 33 6.872 2.889 9.979 280 HD13 ILE 33 HD13 ILE 33 5.166 2.960 10.421 281 H LEU 34 H LEU 34 1.705 1.689 8.231 282 HA LEU 34 HA LEU 34 0.266 -0.890 8.340 283 HB2 LEU 34 HB2 LEU 34 -0.703 1.751 9.012 284 HB3 LEU 34 HB3 LEU 34 -1.605 1.098 7.647 285 HG LEU 34 HG LEU 34 -1.064 -0.638 10.042 286 HD11 LEU 34 HD11 LEU 34 -2.937 1.679 9.835 287 HD12 LEU 34 HD12 LEU 34 -2.099 1.035 11.247 288 HD13 LEU 34 HD13 LEU 34 -3.528 0.213 10.618 289 HD21 LEU 34 HD21 LEU 34 -2.026 -1.520 7.879 290 HD22 LEU 34 HD22 LEU 34 -3.416 -0.465 8.135 291 HD23 LEU 34 HD23 LEU 34 -3.071 -1.761 9.279 292 H GLN 35 H GLN 35 1.778 -1.236 6.478 293 HA GLN 35 HA GLN 35 0.850 0.089 4.014 294 HB2 GLN 35 HB2 GLN 35 2.931 -0.941 3.023 295 HB3 GLN 35 HB3 GLN 35 3.226 0.260 4.281 296 HG2 GLN 35 HG2 GLN 35 3.487 -1.542 5.944 297 HG3 GLN 35 HG3 GLN 35 3.197 -2.744 4.688 298 HE21 GLN 35 HE21 GLN 35 4.827 -0.414 3.052 299 HE22 GLN 35 HE22 GLN 35 6.423 -0.936 3.295 300 H GLY 36 H GLY 36 -0.196 -1.016 2.468 301 HA2 GLY 36 HA2 GLY 36 -0.013 -3.838 2.094 302 HA3 GLY 36 HA3 GLY 36 -1.501 -3.412 2.931 303 H CYS 37 H CYS 37 -1.988 -4.561 0.638 304 HA CYS 37 HA CYS 37 -2.313 -2.440 -1.387 305 HB2 CYS 37 HB2 CYS 37 -3.086 -5.159 -2.162 306 HB3 CYS 37 HB3 CYS 37 -2.028 -4.014 -2.982 307 H SER 38 H SER 38 -4.369 -2.462 -2.602 308 HA SER 38 HA SER 38 -6.687 -3.723 -1.494 309 HB2 SER 38 HB2 SER 38 -5.923 -1.571 -0.019 310 HB3 SER 38 HB3 SER 38 -6.973 -0.798 -1.203 311 HG SER 38 HG SER 38 -7.808 -3.188 -0.013 312 H SER 39 H SER 39 -8.670 -3.056 -2.606 313 HA SER 39 HA SER 39 -8.112 -2.415 -5.387 314 HB2 SER 39 HB2 SER 39 -10.252 -3.730 -3.886 315 HB3 SER 39 HB3 SER 39 -10.853 -2.654 -5.144 316 HG SER 39 HG SER 39 -8.722 -4.084 -5.998 317 H SER 40 H SER 40 -10.768 -1.328 -3.278 318 HA SER 40 HA SER 40 -10.832 1.239 -4.635 319 HB2 SER 40 HB2 SER 40 -12.886 1.578 -3.575 320 HB3 SER 40 HB3 SER 40 -12.846 -0.172 -3.763 321 HG SER 40 HG SER 40 -13.299 0.943 -1.578 322 H CYS 41 H CYS 41 -8.420 1.215 -3.608 323 HA CYS 41 HA CYS 41 -7.936 1.864 -0.968 324 HB2 CYS 41 HB2 CYS 41 -6.230 1.550 -2.813 325 HB3 CYS 41 HB3 CYS 41 -6.564 3.212 -3.299 326 H SER 42 H SER 42 -7.880 3.756 0.233 327 HA SER 42 HA SER 42 -9.490 5.976 -0.871 328 HB2 SER 42 HB2 SER 42 -9.826 4.509 1.480 329 HB3 SER 42 HB3 SER 42 -9.114 6.028 2.012 330 HG SER 42 HG SER 42 -11.590 5.644 1.447 331 H GLU 43 H GLU 43 -7.614 6.907 -1.877 332 HA GLU 43 HA GLU 43 -5.201 7.546 -0.684 333 HB2 GLU 43 HB2 GLU 43 -6.029 7.937 -3.112 334 HB3 GLU 43 HB3 GLU 43 -6.586 9.495 -2.504 335 HG2 GLU 43 HG2 GLU 43 -4.250 9.853 -1.585 336 HG3 GLU 43 HG3 GLU 43 -3.757 8.421 -2.489 337 H THR 44 H THR 44 -4.858 8.537 1.193 338 HA THR 44 HA THR 44 -6.104 11.127 1.700 339 HB THR 44 HB THR 44 -6.637 10.334 4.089 340 HG1 THR 44 HG1 THR 44 -7.294 7.922 3.628 341 HG21 THR 44 HG21 THR 44 -8.859 9.626 3.430 342 HG22 THR 44 HG22 THR 44 -8.280 9.165 1.828 343 HG23 THR 44 HG23 THR 44 -8.314 10.865 2.299 344 H GLU 45 H GLU 45 -5.028 12.319 3.400 345 HA GLU 45 HA GLU 45 -2.271 12.248 3.332 346 HB2 GLU 45 HB2 GLU 45 -2.304 13.912 4.936 347 HB3 GLU 45 HB3 GLU 45 -3.967 13.998 4.351 348 HG2 GLU 45 HG2 GLU 45 -4.608 12.398 6.195 349 HG3 GLU 45 HG3 GLU 45 -2.973 12.573 6.832 350 H ASN 46 H ASN 46 -4.452 10.656 5.624 351 HA ASN 46 HA ASN 46 -2.372 9.611 7.287 352 HB2 ASN 46 HB2 ASN 46 -4.966 9.909 7.712 353 HB3 ASN 46 HB3 ASN 46 -5.036 8.272 7.064 354 HD21 ASN 46 HD21 ASN 46 -5.741 7.787 9.411 355 HD22 ASN 46 HD22 ASN 46 -4.512 7.508 10.548 356 H ASN 47 H ASN 47 -4.323 8.300 4.629 357 HA ASN 47 HA ASN 47 -2.290 6.196 4.282 358 HB2 ASN 47 HB2 ASN 47 -3.944 4.869 5.187 359 HB3 ASN 47 HB3 ASN 47 -5.245 5.895 4.587 360 HD21 ASN 47 HD21 ASN 47 -3.527 3.001 3.984 361 HD22 ASN 47 HD22 ASN 47 -4.078 2.729 2.402 362 H LYS 48 H LYS 48 -1.345 6.635 2.417 363 HA LYS 48 HA LYS 48 -2.728 8.033 0.290 364 HB2 LYS 48 HB2 LYS 48 0.060 6.881 0.505 365 HB3 LYS 48 HB3 LYS 48 -0.536 7.750 -0.909 366 HG2 LYS 48 HG2 LYS 48 -0.840 9.023 1.786 367 HG3 LYS 48 HG3 LYS 48 0.748 9.040 1.019 368 HD2 LYS 48 HD2 LYS 48 -1.552 9.788 -0.710 369 HD3 LYS 48 HD3 LYS 48 -1.112 10.941 0.552 370 HE2 LYS 48 HE2 LYS 48 0.952 11.384 -0.375 371 HE3 LYS 48 HE3 LYS 48 1.102 9.772 -1.074 372 HZ1 LYS 48 HZ1 LYS 48 0.299 10.524 -2.976 373 HZ2 LYS 48 HZ2 LYS 48 0.264 12.097 -2.337 374 HZ3 LYS 48 HZ3 LYS 48 -1.104 11.098 -2.218 375 H CYS 49 H CYS 49 -2.274 7.128 -2.015 376 HA CYS 49 HA CYS 49 -2.681 4.223 -2.147 377 HB2 CYS 49 HB2 CYS 49 -4.534 6.249 -3.425 378 HB3 CYS 49 HB3 CYS 49 -4.598 4.505 -3.671 379 H CYS 50 H CYS 50 -1.502 3.358 -3.742 380 HA CYS 50 HA CYS 50 -0.685 5.107 -5.980 381 HB2 CYS 50 HB2 CYS 50 1.080 4.409 -4.123 382 HB3 CYS 50 HB3 CYS 50 1.125 2.918 -5.065 383 H SER 51 H SER 51 0.152 3.757 -7.862 384 HA SER 51 HA SER 51 -1.237 1.173 -8.082 385 HB2 SER 51 HB2 SER 51 -2.486 3.300 -9.073 386 HB3 SER 51 HB3 SER 51 -1.374 3.032 -10.412 387 HG SER 51 HG SER 51 -2.137 0.881 -10.502 388 H THR 52 H THR 52 1.582 2.025 -7.803 389 HA THR 52 HA THR 52 2.618 0.921 -10.347 390 HB THR 52 HB THR 52 4.344 2.608 -8.584 391 HG1 THR 52 HG1 THR 52 2.039 3.421 -9.668 392 HG21 THR 52 HG21 THR 52 4.080 2.134 -11.565 393 HG22 THR 52 HG22 THR 52 5.345 1.513 -10.505 394 HG23 THR 52 HG23 THR 52 5.243 3.242 -10.836 395 H ASP 53 H ASP 53 4.690 -0.248 -10.106 396 HA ASP 53 HA ASP 53 4.509 -2.136 -7.939 397 HB2 ASP 53 HB2 ASP 53 6.288 -3.307 -9.054 398 HB3 ASP 53 HB3 ASP 53 5.170 -2.730 -10.288 399 H ARG 54 H ARG 54 5.443 -1.968 -6.025 400 HA ARG 54 HA ARG 54 6.910 -1.407 -4.352 401 HB2 ARG 54 HB2 ARG 54 8.573 -2.184 -6.156 402 HB3 ARG 54 HB3 ARG 54 8.853 -0.468 -6.451 403 HG2 ARG 54 HG2 ARG 54 9.037 -0.502 -3.750 404 HG3 ARG 54 HG3 ARG 54 9.607 -2.132 -4.111 405 HD2 ARG 54 HD2 ARG 54 11.067 -0.926 -5.926 406 HD3 ARG 54 HD3 ARG 54 10.776 0.506 -4.944 407 HE ARG 54 HE ARG 54 12.273 -0.349 -3.400 408 HH11 ARG 54 HH21 ARG 54 11.030 -2.865 -5.419 409 HH12 ARG 54 HH22 ARG 54 12.041 -4.098 -4.744 410 HH21 ARG 54 HH11 ARG 54 13.608 -1.960 -2.508 411 HH22 ARG 54 HH12 ARG 54 13.500 -3.586 -3.094 412 H CYS 55 H CYS 55 5.018 0.538 -5.552 413 HA CYS 55 HA CYS 55 6.067 3.105 -5.782 414 HB2 CYS 55 HB2 CYS 55 3.633 2.288 -6.098 415 HB3 CYS 55 HB3 CYS 55 3.462 2.584 -4.368 416 H ASN 56 H ASN 56 4.604 1.695 -2.837 417 HA ASN 56 HA ASN 56 5.496 3.742 -1.104 418 HB2 ASN 56 HB2 ASN 56 3.768 2.485 -0.202 419 HB3 ASN 56 HB3 ASN 56 4.462 0.955 -0.736 420 HD21 ASN 56 HD21 ASN 56 6.111 3.580 1.077 421 HD22 ASN 56 HD22 ASN 56 6.453 2.624 2.439 422 H LYS 57 H LYS 57 7.424 4.134 -0.231 423 HA LYS 57 HA LYS 57 9.426 1.961 -0.168 424 HB2 LYS 57 HB2 LYS 57 9.783 3.601 -2.070 425 HB3 LYS 57 HB3 LYS 57 10.070 4.835 -0.844 426 HG2 LYS 57 HG2 LYS 57 11.896 3.468 0.105 427 HG3 LYS 57 HG3 LYS 57 11.616 2.243 -1.133 428 HD2 LYS 57 HD2 LYS 57 11.897 4.326 -2.764 429 HD3 LYS 57 HD3 LYS 57 12.816 4.969 -1.404 430 HE2 LYS 57 HE2 LYS 57 13.420 2.646 -3.171 431 HE3 LYS 57 HE3 LYS 57 14.515 3.825 -2.449 432 HZ1 LYS 57 HZ1 LYS 57 13.788 2.706 -0.252 433 HZ2 LYS 57 HZ2 LYS 57 14.951 1.944 -1.229 434 HZ3 LYS 57 HZ3 LYS 57 13.338 1.411 -1.249 Start of MODEL 6 1 H1 LEU 1 H1 LEU 1 4.052 -5.574 -10.527 2 H2 LEU 1 H2 LEU 1 2.952 -6.095 -11.714 3 H3 LEU 1 H3 LEU 1 3.573 -7.201 -10.582 4 HA LEU 1 HA LEU 1 1.964 -4.849 -9.783 5 HB2 LEU 1 HB2 LEU 1 1.048 -7.029 -11.296 6 HB3 LEU 1 HB3 LEU 1 0.591 -7.406 -9.634 7 HG LEU 1 HG LEU 1 -0.399 -5.115 -9.441 8 HD11 LEU 1 HD11 LEU 1 0.264 -3.611 -10.989 9 HD12 LEU 1 HD12 LEU 1 -0.812 -4.433 -12.120 10 HD13 LEU 1 HD13 LEU 1 0.893 -4.878 -12.043 11 HD21 LEU 1 HD21 LEU 1 -2.186 -6.451 -9.886 12 HD22 LEU 1 HD22 LEU 1 -1.341 -7.295 -11.183 13 HD23 LEU 1 HD23 LEU 1 -2.117 -5.744 -11.501 14 H LYS 2 H LYS 2 3.174 -4.608 -7.900 15 HA LYS 2 HA LYS 2 2.552 -6.384 -5.753 16 HB2 LYS 2 HB2 LYS 2 4.673 -7.319 -5.295 17 HB3 LYS 2 HB3 LYS 2 4.425 -7.583 -7.020 18 HG2 LYS 2 HG2 LYS 2 5.593 -5.072 -6.942 19 HG3 LYS 2 HG3 LYS 2 6.433 -5.939 -5.656 20 HD2 LYS 2 HD2 LYS 2 7.065 -7.711 -7.176 21 HD3 LYS 2 HD3 LYS 2 6.068 -7.026 -8.460 22 HE2 LYS 2 HE2 LYS 2 7.473 -5.060 -8.592 23 HE3 LYS 2 HE3 LYS 2 8.391 -5.567 -7.176 24 HZ1 LYS 2 HZ1 LYS 2 9.192 -7.470 -8.375 25 HZ2 LYS 2 HZ2 LYS 2 9.524 -6.069 -9.277 26 HZ3 LYS 2 HZ3 LYS 2 8.236 -7.084 -9.723 27 H CYS 3 H CYS 3 3.312 -5.604 -3.712 28 HA CYS 3 HA CYS 3 4.725 -3.050 -3.666 29 HB2 CYS 3 HB2 CYS 3 2.332 -2.954 -1.981 30 HB3 CYS 3 HB3 CYS 3 3.006 -1.730 -3.057 31 H TYR 4 H TYR 4 5.325 -2.418 -1.473 32 HA TYR 4 HA TYR 4 6.270 -4.633 0.028 33 HB2 TYR 4 HB2 TYR 4 6.269 -1.662 0.417 34 HB3 TYR 4 HB3 TYR 4 6.818 -2.732 1.709 35 HD1 TYR 4 HD2 TYR 4 8.502 -4.612 0.988 36 HD2 TYR 4 HD1 TYR 4 7.771 -1.025 -1.252 37 HE1 TYR 4 HE2 TYR 4 10.668 -4.900 -0.175 38 HE2 TYR 4 HE1 TYR 4 9.937 -1.309 -2.421 39 HH TYR 4 HH TYR 4 11.942 -2.423 -2.332 40 H GLN 5 H GLN 5 4.423 -5.823 0.557 41 HA GLN 5 HA GLN 5 2.342 -4.659 2.200 42 HB2 GLN 5 HB2 GLN 5 2.199 -6.672 0.510 43 HB3 GLN 5 HB3 GLN 5 2.738 -7.615 1.896 44 HG2 GLN 5 HG2 GLN 5 0.730 -5.935 2.911 45 HG3 GLN 5 HG3 GLN 5 0.115 -6.497 1.357 46 HE21 GLN 5 HE21 GLN 5 1.253 -7.595 4.546 47 HE22 GLN 5 HE22 GLN 5 0.605 -9.159 4.420 48 H HIS 6 H HIS 6 4.807 -7.196 2.687 49 HA HIS 6 HA HIS 6 4.693 -6.615 5.587 50 HB2 HIS 6 HB2 HIS 6 5.064 -9.161 4.052 51 HB3 HIS 6 HB3 HIS 6 5.812 -8.999 5.641 52 HD1 HIS 6 HD1 HIS 6 2.934 -6.954 5.829 53 HD2 HIS 6 HD2 HIS 6 3.516 -11.081 5.938 54 HE1 HIS 6 HE1 HIS 6 0.862 -7.943 6.898 55 H GLY 7 H GLY 7 6.216 -4.914 4.163 56 HA2 GLY 7 HA2 GLY 7 8.333 -3.999 4.176 57 HA3 GLY 7 HA3 GLY 7 8.825 -5.310 5.245 58 H LYS 8 H LYS 8 7.344 -6.536 2.508 59 HA LYS 8 HA LYS 8 9.821 -6.682 0.940 60 HB2 LYS 8 HB2 LYS 8 8.613 -9.268 0.904 61 HB3 LYS 8 HB3 LYS 8 10.221 -8.819 1.471 62 HG2 LYS 8 HG2 LYS 8 9.219 -8.160 3.664 63 HG3 LYS 8 HG3 LYS 8 7.661 -8.756 3.091 64 HD2 LYS 8 HD2 LYS 8 9.959 -10.622 2.828 65 HD3 LYS 8 HD3 LYS 8 9.394 -10.302 4.469 66 HE2 LYS 8 HE2 LYS 8 7.328 -11.262 4.096 67 HE3 LYS 8 HE3 LYS 8 7.337 -10.869 2.377 68 HZ1 LYS 8 HZ1 LYS 8 7.703 -13.298 3.132 69 HZ2 LYS 8 HZ2 LYS 8 9.292 -12.788 3.450 70 HZ3 LYS 8 HZ3 LYS 8 8.656 -12.666 1.880 71 H VAL 9 H VAL 9 9.372 -6.259 -1.118 72 HA VAL 9 HA VAL 9 6.870 -5.723 -2.160 73 HB VAL 9 HB VAL 9 8.152 -6.489 -4.400 74 HG11 VAL 9 HG11 VAL 9 8.606 -4.049 -2.672 75 HG12 VAL 9 HG12 VAL 9 7.483 -4.221 -4.018 76 HG13 VAL 9 HG13 VAL 9 9.221 -4.178 -4.319 77 HG21 VAL 9 HG21 VAL 9 10.476 -5.690 -2.687 78 HG22 VAL 9 HG22 VAL 9 10.458 -6.622 -4.184 79 HG23 VAL 9 HG23 VAL 9 9.965 -7.379 -2.669 80 H VAL 10 H VAL 10 5.323 -7.258 -1.657 81 HA VAL 10 HA VAL 10 5.661 -9.901 -2.952 82 HB VAL 10 HB VAL 10 3.885 -10.641 -1.292 83 HG11 VAL 10 HG11 VAL 10 6.530 -10.777 -1.131 84 HG12 VAL 10 HG12 VAL 10 5.520 -11.249 0.236 85 HG13 VAL 10 HG13 VAL 10 6.282 -9.659 0.210 86 HG21 VAL 10 HG21 VAL 10 3.750 -9.205 0.764 87 HG22 VAL 10 HG22 VAL 10 3.021 -8.456 -0.657 88 HG23 VAL 10 HG23 VAL 10 4.617 -7.943 -0.112 89 H THR 11 H THR 11 4.036 -10.674 -4.260 90 HA THR 11 HA THR 11 2.342 -8.764 -5.522 91 HB THR 11 HB THR 11 2.273 -11.789 -5.668 92 HG1 THR 11 HG1 THR 11 3.842 -11.599 -7.059 93 HG21 THR 11 HG21 THR 11 1.018 -11.499 -7.691 94 HG22 THR 11 HG22 THR 11 1.264 -9.753 -7.665 95 HG23 THR 11 HG23 THR 11 0.224 -10.514 -6.461 96 H CYS 12 H CYS 12 0.457 -8.012 -4.821 97 HA CYS 12 HA CYS 12 -0.876 -9.134 -2.543 98 HB2 CYS 12 HB2 CYS 12 -1.836 -7.008 -4.473 99 HB3 CYS 12 HB3 CYS 12 -2.492 -7.337 -2.870 100 H HIS 13 H HIS 13 -3.494 -9.102 -2.929 101 HA HIS 13 HA HIS 13 -4.151 -11.537 -4.047 102 HB2 HIS 13 HB2 HIS 13 -6.008 -9.156 -3.915 103 HB3 HIS 13 HB3 HIS 13 -6.444 -10.862 -3.860 104 HD1 HIS 13 HD1 HIS 13 -3.939 -8.745 -1.894 105 HD2 HIS 13 HD2 HIS 13 -6.986 -11.514 -1.244 106 HE1 HIS 13 HE1 HIS 13 -4.056 -9.106 0.610 107 H ARG 14 H ARG 14 -6.312 -11.107 -5.763 108 HA ARG 14 HA ARG 14 -4.879 -10.558 -8.259 109 HB2 ARG 14 HB2 ARG 14 -5.988 -12.568 -8.527 110 HB3 ARG 14 HB3 ARG 14 -7.344 -12.078 -7.510 111 HG2 ARG 14 HG2 ARG 14 -8.240 -10.668 -9.230 112 HG3 ARG 14 HG3 ARG 14 -6.778 -10.821 -10.205 113 HD2 ARG 14 HD2 ARG 14 -7.227 -13.129 -10.673 114 HD3 ARG 14 HD3 ARG 14 -8.511 -13.188 -9.469 115 HE ARG 14 HE ARG 14 -8.849 -11.334 -11.719 116 HH11 ARG 14 HH21 ARG 14 -9.594 -14.327 -10.149 117 HH12 ARG 14 HH22 ARG 14 -11.056 -14.589 -11.040 118 HH21 ARG 14 HH11 ARG 14 -10.765 -11.669 -12.888 119 HH22 ARG 14 HH12 ARG 14 -11.719 -13.083 -12.589 120 H ASP 15 H ASP 15 -7.558 -9.384 -6.323 121 HA ASP 15 HA ASP 15 -8.480 -7.532 -8.348 122 HB2 ASP 15 HB2 ASP 15 -9.881 -8.652 -6.486 123 HB3 ASP 15 HB3 ASP 15 -9.198 -7.418 -5.429 124 H MET 16 H MET 16 -6.823 -7.275 -5.201 125 HA MET 16 HA MET 16 -6.519 -4.543 -5.025 126 HB2 MET 16 HB2 MET 16 -4.816 -6.853 -4.155 127 HB3 MET 16 HB3 MET 16 -4.233 -5.205 -3.937 128 HG2 MET 16 HG2 MET 16 -5.846 -4.688 -2.378 129 HG3 MET 16 HG3 MET 16 -7.030 -5.789 -3.085 130 HE1 MET 16 HE1 MET 16 -7.352 -7.108 -0.031 131 HE2 MET 16 HE2 MET 16 -7.110 -5.445 -0.558 132 HE3 MET 16 HE3 MET 16 -6.014 -6.153 0.624 133 H LYS 17 H LYS 17 -5.997 -3.306 -6.745 134 HA LYS 17 HA LYS 17 -3.538 -4.012 -8.234 135 HB2 LYS 17 HB2 LYS 17 -6.180 -3.148 -9.121 136 HB3 LYS 17 HB3 LYS 17 -4.891 -2.126 -9.759 137 HG2 LYS 17 HG2 LYS 17 -3.706 -4.099 -10.601 138 HG3 LYS 17 HG3 LYS 17 -4.940 -5.154 -9.912 139 HD2 LYS 17 HD2 LYS 17 -6.409 -3.334 -11.419 140 HD3 LYS 17 HD3 LYS 17 -4.985 -3.644 -12.412 141 HE2 LYS 17 HE2 LYS 17 -5.383 -6.118 -12.039 142 HE3 LYS 17 HE3 LYS 17 -6.924 -5.686 -11.299 143 HZ1 LYS 17 HZ1 LYS 17 -7.605 -5.927 -13.430 144 HZ2 LYS 17 HZ2 LYS 17 -6.091 -5.533 -14.092 145 HZ3 LYS 17 HZ3 LYS 17 -7.120 -4.306 -13.525 146 H PHE 18 H PHE 18 -4.545 -2.139 -5.809 147 HA PHE 18 HA PHE 18 -2.693 0.046 -6.529 148 HB2 PHE 18 HB2 PHE 18 -5.199 0.415 -4.886 149 HB3 PHE 18 HB3 PHE 18 -4.119 1.667 -5.495 150 HD1 PHE 18 HD2 PHE 18 -6.297 -1.143 -6.682 151 HD2 PHE 18 HD1 PHE 18 -4.567 2.691 -7.551 152 HE1 PHE 18 HE2 PHE 18 -7.607 -1.029 -8.784 153 HE2 PHE 18 HE1 PHE 18 -5.877 2.806 -9.654 154 HZ PHE 18 HZ PHE 18 -7.397 0.945 -10.271 155 H CYS 19 H CYS 19 -1.187 0.510 -5.045 156 HA CYS 19 HA CYS 19 -1.256 -0.987 -2.513 157 HB2 CYS 19 HB2 CYS 19 1.121 0.583 -3.441 158 HB3 CYS 19 HB3 CYS 19 1.061 -0.903 -2.496 159 H TYR 20 H TYR 20 -1.435 0.047 -0.573 160 HA TYR 20 HA TYR 20 -1.504 2.997 -0.689 161 HB2 TYR 20 HB2 TYR 20 -3.203 2.999 0.970 162 HB3 TYR 20 HB3 TYR 20 -3.674 1.789 -0.217 163 HD1 TYR 20 HD2 TYR 20 -2.341 2.332 3.178 164 HD2 TYR 20 HD1 TYR 20 -3.632 -0.585 0.303 165 HE1 TYR 20 HE2 TYR 20 -2.400 0.606 4.956 166 HE2 TYR 20 HE1 TYR 20 -3.693 -2.312 2.082 167 HH TYR 20 HH TYR 20 -2.728 -1.538 5.426 168 H HIS 21 H HIS 21 -0.585 4.183 0.912 169 HA HIS 21 HA HIS 21 1.246 2.728 2.722 170 HB2 HIS 21 HB2 HIS 21 1.894 5.531 2.349 171 HB3 HIS 21 HB3 HIS 21 2.899 4.109 2.077 172 HD1 HIS 21 HD1 HIS 21 2.122 6.819 0.203 173 HD2 HIS 21 HD2 HIS 21 1.341 2.782 -0.480 174 HE1 HIS 21 HE1 HIS 21 1.774 6.570 -2.293 175 H ASN 22 H ASN 22 0.360 2.689 4.704 176 HA ASN 22 HA ASN 22 -1.200 5.017 5.594 177 HB2 ASN 22 HB2 ASN 22 -2.388 2.953 5.844 178 HB3 ASN 22 HB3 ASN 22 -1.009 2.188 6.632 179 HD21 ASN 22 HD21 ASN 22 -3.161 1.992 8.189 180 HD22 ASN 22 HD22 ASN 22 -3.195 3.164 9.417 181 H THR 23 H THR 23 -0.434 6.400 7.027 182 HA THR 23 HA THR 23 1.686 5.553 8.877 183 HB THR 23 HB THR 23 2.990 6.570 7.177 184 HG1 THR 23 HG1 THR 23 3.880 8.096 8.368 185 HG21 THR 23 HG21 THR 23 0.672 8.467 7.016 186 HG22 THR 23 HG22 THR 23 1.517 7.624 5.717 187 HG23 THR 23 HG23 THR 23 2.268 9.013 6.503 188 H GLY 24 H GLY 24 -1.292 6.438 8.779 189 HA2 GLY 24 HA2 GLY 24 -2.040 8.734 9.838 190 HA3 GLY 24 HA3 GLY 24 -2.555 7.236 10.606 191 H MET 25 H MET 25 -2.002 9.867 11.808 192 HA MET 25 HA MET 25 -0.234 8.927 13.936 193 HB2 MET 25 HB2 MET 25 1.141 10.939 13.909 194 HB3 MET 25 HB3 MET 25 1.252 10.126 12.348 195 HG2 MET 25 HG2 MET 25 0.537 11.999 11.331 196 HG3 MET 25 HG3 MET 25 -0.977 11.901 12.230 197 HE1 MET 25 HE1 MET 25 0.286 15.623 12.474 198 HE2 MET 25 HE2 MET 25 -0.975 14.548 11.877 199 HE3 MET 25 HE3 MET 25 0.632 14.492 11.159 200 HA PRO 26 HA PRO 26 -4.124 11.410 15.039 201 HB2 PRO 26 HB2 PRO 26 -4.887 9.466 16.914 202 HB3 PRO 26 HB3 PRO 26 -5.562 9.661 15.287 203 HG2 PRO 26 HG2 PRO 26 -3.539 7.741 16.279 204 HG3 PRO 26 HG3 PRO 26 -4.757 7.552 15.007 205 HD2 PRO 26 HD2 PRO 26 -2.118 7.923 14.454 206 HD3 PRO 26 HD3 PRO 26 -3.408 8.515 13.383 207 H PHE 27 H PHE 27 -4.807 11.748 17.518 208 HA PHE 27 HA PHE 27 -2.702 13.054 18.794 209 HB2 PHE 27 HB2 PHE 27 -5.052 13.514 19.316 210 HB3 PHE 27 HB3 PHE 27 -5.218 11.911 20.034 211 HD1 PHE 27 HD1 PHE 27 -2.828 14.805 20.237 212 HD2 PHE 27 HD2 PHE 27 -5.080 11.821 22.353 213 HE1 PHE 27 HE1 PHE 27 -1.959 15.676 22.390 214 HE2 PHE 27 HE2 PHE 27 -4.210 12.692 24.505 215 HZ PHE 27 HZ PHE 27 -2.649 14.619 24.524 216 H ARG 28 H ARG 28 -3.949 9.770 19.268 217 HA ARG 28 HA ARG 28 -2.116 9.192 21.420 218 HB2 ARG 28 HB2 ARG 28 -3.743 7.256 19.759 219 HB3 ARG 28 HB3 ARG 28 -3.034 6.961 21.346 220 HG2 ARG 28 HG2 ARG 28 -4.520 8.489 22.409 221 HG3 ARG 28 HG3 ARG 28 -5.029 9.179 20.868 222 HD2 ARG 28 HD2 ARG 28 -5.839 6.768 20.318 223 HD3 ARG 28 HD3 ARG 28 -5.733 6.504 22.056 224 HE ARG 28 HE ARG 28 -7.222 8.876 21.329 225 HH11 ARG 28 HH21 ARG 28 -7.292 5.456 21.850 226 HH12 ARG 28 HH22 ARG 28 -8.982 5.408 22.221 227 HH21 ARG 28 HH11 ARG 28 -9.437 8.822 21.816 228 HH22 ARG 28 HH12 ARG 28 -10.197 7.315 22.204 229 H ASN 29 H ASN 29 -0.019 8.838 21.116 230 HA ASN 29 HA ASN 29 1.414 8.678 18.823 231 HB2 ASN 29 HB2 ASN 29 1.821 7.560 21.547 232 HB3 ASN 29 HB3 ASN 29 2.879 6.960 20.271 233 HD21 ASN 29 HD21 ASN 29 3.077 9.348 18.693 234 HD22 ASN 29 HD22 ASN 29 3.909 10.515 19.602 235 H LEU 30 H LEU 30 1.180 7.451 17.072 236 HA LEU 30 HA LEU 30 1.016 4.554 17.347 237 HB2 LEU 30 HB2 LEU 30 -1.357 5.763 17.216 238 HB3 LEU 30 HB3 LEU 30 -0.984 5.751 15.491 239 HG LEU 30 HG LEU 30 -1.064 3.354 17.346 240 HD11 LEU 30 HD11 LEU 30 -2.768 2.677 15.491 241 HD12 LEU 30 HD12 LEU 30 -2.798 4.400 15.115 242 HD13 LEU 30 HD13 LEU 30 -3.278 3.840 16.716 243 HD21 LEU 30 HD21 LEU 30 -0.118 3.685 14.493 244 HD22 LEU 30 HD22 LEU 30 -0.656 2.127 15.119 245 HD23 LEU 30 HD23 LEU 30 0.735 2.936 15.842 246 H LYS 31 H LYS 31 3.132 4.736 16.411 247 HA LYS 31 HA LYS 31 3.091 5.386 13.524 248 HB2 LYS 31 HB2 LYS 31 5.243 5.725 15.604 249 HB3 LYS 31 HB3 LYS 31 5.633 5.638 13.887 250 HG2 LYS 31 HG2 LYS 31 3.812 7.464 13.596 251 HG3 LYS 31 HG3 LYS 31 3.985 7.704 15.336 252 HD2 LYS 31 HD2 LYS 31 6.464 7.978 14.975 253 HD3 LYS 31 HD3 LYS 31 6.158 7.947 13.238 254 HE2 LYS 31 HE2 LYS 31 4.522 9.859 13.613 255 HE3 LYS 31 HE3 LYS 31 5.162 9.974 15.251 256 HZ1 LYS 31 HZ1 LYS 31 7.428 10.026 14.022 257 HZ2 LYS 31 HZ2 LYS 31 6.492 11.442 14.120 258 HZ3 LYS 31 HZ3 LYS 31 6.500 10.522 12.691 259 H LEU 32 H LEU 32 2.389 3.207 13.084 260 HA LEU 32 HA LEU 32 4.625 1.284 13.212 261 HB2 LEU 32 HB2 LEU 32 1.738 0.829 13.946 262 HB3 LEU 32 HB3 LEU 32 2.794 -0.501 13.466 263 HG LEU 32 HG LEU 32 3.414 1.456 15.697 264 HD11 LEU 32 HD11 LEU 32 1.675 -0.847 15.630 265 HD12 LEU 32 HD12 LEU 32 2.036 0.225 16.982 266 HD13 LEU 32 HD13 LEU 32 3.058 -1.178 16.673 267 HD21 LEU 32 HD21 LEU 32 4.848 -0.779 14.369 268 HD22 LEU 32 HD22 LEU 32 4.928 -0.758 16.131 269 HD23 LEU 32 HD23 LEU 32 5.494 0.633 15.205 270 H ILE 33 H ILE 33 5.200 0.696 11.233 271 HA ILE 33 HA ILE 33 4.168 1.421 8.842 272 HB ILE 33 HB ILE 33 5.447 -1.217 9.575 273 HG12 ILE 33 HG12 ILE 33 6.607 1.141 9.737 274 HG13 ILE 33 HG13 ILE 33 7.466 -0.199 8.976 275 HG21 ILE 33 HG21 ILE 33 4.607 -0.076 6.912 276 HG22 ILE 33 HG22 ILE 33 4.338 -1.700 7.544 277 HG23 ILE 33 HG23 ILE 33 5.953 -1.208 7.035 278 HD11 ILE 33 HD11 ILE 33 7.215 0.661 6.850 279 HD12 ILE 33 HD12 ILE 33 7.236 2.169 7.765 280 HD13 ILE 33 HD13 ILE 33 5.701 1.474 7.245 281 H LEU 34 H LEU 34 2.287 1.176 7.827 282 HA LEU 34 HA LEU 34 0.716 -1.273 8.319 283 HB2 LEU 34 HB2 LEU 34 -0.089 1.564 8.709 284 HB3 LEU 34 HB3 LEU 34 -1.279 0.479 7.988 285 HG LEU 34 HG LEU 34 0.179 -0.589 10.341 286 HD11 LEU 34 HD11 LEU 34 -1.091 0.670 11.958 287 HD12 LEU 34 HD12 LEU 34 -2.005 1.484 10.687 288 HD13 LEU 34 HD13 LEU 34 -0.290 1.835 10.905 289 HD21 LEU 34 HD21 LEU 34 -2.194 -1.316 10.861 290 HD22 LEU 34 HD22 LEU 34 -1.564 -1.908 9.324 291 HD23 LEU 34 HD23 LEU 34 -2.686 -0.547 9.352 292 H GLN 35 H GLN 35 2.485 -0.473 6.114 293 HA GLN 35 HA GLN 35 0.933 0.368 3.874 294 HB2 GLN 35 HB2 GLN 35 2.870 -0.484 2.551 295 HB3 GLN 35 HB3 GLN 35 3.347 0.606 3.853 296 HG2 GLN 35 HG2 GLN 35 3.844 -1.351 5.291 297 HG3 GLN 35 HG3 GLN 35 3.417 -2.423 3.958 298 HE21 GLN 35 HE21 GLN 35 4.629 -0.907 1.818 299 HE22 GLN 35 HE22 GLN 35 6.312 -0.959 2.037 300 H GLY 36 H GLY 36 -0.266 -0.766 2.456 301 HA2 GLY 36 HA2 GLY 36 -0.041 -3.628 2.160 302 HA3 GLY 36 HA3 GLY 36 -1.504 -3.131 3.005 303 H CYS 37 H CYS 37 -2.211 -4.345 0.880 304 HA CYS 37 HA CYS 37 -2.416 -2.416 -1.338 305 HB2 CYS 37 HB2 CYS 37 -3.506 -5.087 -1.805 306 HB3 CYS 37 HB3 CYS 37 -2.342 -4.165 -2.755 307 H SER 38 H SER 38 -4.501 -2.311 -2.476 308 HA SER 38 HA SER 38 -6.896 -3.165 -1.134 309 HB2 SER 38 HB2 SER 38 -6.078 -1.137 0.200 310 HB3 SER 38 HB3 SER 38 -6.455 -0.182 -1.232 311 HG SER 38 HG SER 38 -8.578 -1.375 -1.056 312 H SER 39 H SER 39 -8.702 -2.976 -2.439 313 HA SER 39 HA SER 39 -8.208 -2.633 -5.239 314 HB2 SER 39 HB2 SER 39 -9.904 -4.126 -5.095 315 HB3 SER 39 HB3 SER 39 -10.425 -3.523 -3.525 316 HG SER 39 HG SER 39 -11.572 -3.106 -5.825 317 H SER 40 H SER 40 -10.335 -0.903 -2.945 318 HA SER 40 HA SER 40 -10.321 1.399 -4.795 319 HB2 SER 40 HB2 SER 40 -12.454 1.916 -4.104 320 HB3 SER 40 HB3 SER 40 -12.493 0.171 -3.870 321 HG SER 40 HG SER 40 -12.766 0.551 -1.832 322 H CYS 41 H CYS 41 -8.022 1.419 -3.587 323 HA CYS 41 HA CYS 41 -7.802 2.352 -0.962 324 HB2 CYS 41 HB2 CYS 41 -5.881 1.626 -2.358 325 HB3 CYS 41 HB3 CYS 41 -6.042 3.105 -3.306 326 H SER 42 H SER 42 -8.480 4.153 -0.018 327 HA SER 42 HA SER 42 -9.280 6.431 -1.694 328 HB2 SER 42 HB2 SER 42 -10.937 5.577 -0.088 329 HB3 SER 42 HB3 SER 42 -9.805 5.856 1.234 330 HG SER 42 HG SER 42 -11.480 7.575 0.051 331 H GLU 43 H GLU 43 -7.087 7.108 -2.107 332 HA GLU 43 HA GLU 43 -5.008 7.633 -0.495 333 HB2 GLU 43 HB2 GLU 43 -5.249 8.308 -2.916 334 HB3 GLU 43 HB3 GLU 43 -6.093 9.752 -2.355 335 HG2 GLU 43 HG2 GLU 43 -4.085 10.241 -0.896 336 HG3 GLU 43 HG3 GLU 43 -3.249 8.930 -1.726 337 H THR 44 H THR 44 -4.548 8.776 1.280 338 HA THR 44 HA THR 44 -5.981 11.186 1.974 339 HB THR 44 HB THR 44 -6.137 9.297 4.214 340 HG1 THR 44 HG1 THR 44 -8.070 8.362 3.232 341 HG21 THR 44 HG21 THR 44 -7.116 11.693 3.846 342 HG22 THR 44 HG22 THR 44 -8.102 10.481 4.665 343 HG23 THR 44 HG23 THR 44 -8.387 10.846 2.963 344 H GLU 45 H GLU 45 -4.974 12.351 3.664 345 HA GLU 45 HA GLU 45 -2.259 12.402 3.783 346 HB2 GLU 45 HB2 GLU 45 -4.183 13.037 6.032 347 HB3 GLU 45 HB3 GLU 45 -2.486 13.515 6.003 348 HG2 GLU 45 HG2 GLU 45 -2.802 14.944 4.142 349 HG3 GLU 45 HG3 GLU 45 -4.355 14.213 3.739 350 H ASN 46 H ASN 46 -4.399 10.435 5.805 351 HA ASN 46 HA ASN 46 -2.213 9.308 7.322 352 HB2 ASN 46 HB2 ASN 46 -4.282 9.464 8.478 353 HB3 ASN 46 HB3 ASN 46 -5.165 8.710 7.153 354 HD21 ASN 46 HD21 ASN 46 -5.697 7.365 9.356 355 HD22 ASN 46 HD22 ASN 46 -4.746 5.972 9.548 356 H ASN 47 H ASN 47 -4.428 8.170 4.782 357 HA ASN 47 HA ASN 47 -2.499 6.009 4.197 358 HB2 ASN 47 HB2 ASN 47 -4.264 4.759 5.013 359 HB3 ASN 47 HB3 ASN 47 -5.473 5.923 4.475 360 HD21 ASN 47 HD21 ASN 47 -5.710 6.079 1.985 361 HD22 ASN 47 HD22 ASN 47 -5.530 4.639 1.103 362 H LYS 48 H LYS 48 -1.533 6.464 2.341 363 HA LYS 48 HA LYS 48 -2.882 8.083 0.324 364 HB2 LYS 48 HB2 LYS 48 -0.108 6.870 0.355 365 HB3 LYS 48 HB3 LYS 48 -0.719 8.004 -0.851 366 HG2 LYS 48 HG2 LYS 48 0.303 9.499 0.586 367 HG3 LYS 48 HG3 LYS 48 -1.297 9.437 1.323 368 HD2 LYS 48 HD2 LYS 48 -0.563 7.835 2.966 369 HD3 LYS 48 HD3 LYS 48 0.984 7.624 2.146 370 HE2 LYS 48 HE2 LYS 48 0.858 10.365 2.567 371 HE3 LYS 48 HE3 LYS 48 0.147 9.697 4.036 372 HZ1 LYS 48 HZ1 LYS 48 2.392 9.703 4.502 373 HZ2 LYS 48 HZ2 LYS 48 2.841 9.268 2.922 374 HZ3 LYS 48 HZ3 LYS 48 2.152 8.114 3.962 375 H CYS 49 H CYS 49 -1.886 7.096 -2.025 376 HA CYS 49 HA CYS 49 -2.588 4.276 -2.252 377 HB2 CYS 49 HB2 CYS 49 -4.193 6.389 -3.710 378 HB3 CYS 49 HB3 CYS 49 -4.391 4.642 -3.846 379 H CYS 50 H CYS 50 -1.294 3.374 -3.723 380 HA CYS 50 HA CYS 50 -0.151 5.108 -5.831 381 HB2 CYS 50 HB2 CYS 50 1.098 3.144 -4.008 382 HB3 CYS 50 HB3 CYS 50 1.603 3.042 -5.694 383 H SER 51 H SER 51 0.579 3.800 -7.770 384 HA SER 51 HA SER 51 -0.888 1.339 -8.259 385 HB2 SER 51 HB2 SER 51 -2.399 2.113 -9.816 386 HB3 SER 51 HB3 SER 51 -2.342 3.509 -8.744 387 HG SER 51 HG SER 51 -2.049 4.051 -10.967 388 H THR 52 H THR 52 1.893 2.145 -8.168 389 HA THR 52 HA THR 52 2.642 1.454 -10.937 390 HB THR 52 HB THR 52 4.461 3.192 -9.338 391 HG1 THR 52 HG1 THR 52 1.962 3.850 -9.784 392 HG21 THR 52 HG21 THR 52 5.253 3.830 -11.449 393 HG22 THR 52 HG22 THR 52 3.735 3.422 -12.247 394 HG23 THR 52 HG23 THR 52 4.817 2.141 -11.701 395 H ASP 53 H ASP 53 2.317 -0.046 -8.345 396 HA ASP 53 HA ASP 53 3.423 -1.637 -7.099 397 HB2 ASP 53 HB2 ASP 53 5.504 -2.425 -8.815 398 HB3 ASP 53 HB3 ASP 53 3.911 -3.165 -8.663 399 H ARG 54 H ARG 54 5.528 -2.268 -6.102 400 HA ARG 54 HA ARG 54 7.191 -1.477 -4.678 401 HB2 ARG 54 HB2 ARG 54 8.257 -2.180 -6.909 402 HB3 ARG 54 HB3 ARG 54 8.389 -0.455 -7.252 403 HG2 ARG 54 HG2 ARG 54 9.906 -0.088 -5.517 404 HG3 ARG 54 HG3 ARG 54 9.383 -1.516 -4.623 405 HD2 ARG 54 HD2 ARG 54 10.716 -2.932 -5.829 406 HD3 ARG 54 HD3 ARG 54 10.522 -2.013 -7.319 407 HE ARG 54 HE ARG 54 12.043 -0.455 -5.549 408 HH11 ARG 54 HH21 ARG 54 12.208 -3.451 -7.276 409 HH12 ARG 54 HH22 ARG 54 13.934 -3.426 -7.430 410 HH21 ARG 54 HH11 ARG 54 14.305 -0.415 -5.749 411 HH22 ARG 54 HH12 ARG 54 15.120 -1.706 -6.568 412 H CYS 55 H CYS 55 5.005 0.489 -5.478 413 HA CYS 55 HA CYS 55 6.223 3.082 -5.581 414 HB2 CYS 55 HB2 CYS 55 3.843 2.363 -6.321 415 HB3 CYS 55 HB3 CYS 55 3.427 2.538 -4.617 416 H ASN 56 H ASN 56 4.457 1.318 -3.044 417 HA ASN 56 HA ASN 56 4.742 3.165 -0.987 418 HB2 ASN 56 HB2 ASN 56 4.567 1.114 0.513 419 HB3 ASN 56 HB3 ASN 56 3.266 1.339 -0.653 420 HD21 ASN 56 HD21 ASN 56 6.035 0.444 -2.351 421 HD22 ASN 56 HD22 ASN 56 5.746 -1.226 -2.449 422 H LYS 57 H LYS 57 6.760 4.108 -0.869 423 HA LYS 57 HA LYS 57 9.075 4.227 -0.604 424 HB2 LYS 57 HB2 LYS 57 7.779 3.817 1.689 425 HB3 LYS 57 HB3 LYS 57 8.741 2.339 1.681 426 HG2 LYS 57 HG2 LYS 57 10.791 3.551 1.619 427 HG3 LYS 57 HG3 LYS 57 9.975 5.059 1.204 428 HD2 LYS 57 HD2 LYS 57 10.568 5.120 3.561 429 HD3 LYS 57 HD3 LYS 57 8.815 4.980 3.422 430 HE2 LYS 57 HE2 LYS 57 8.780 2.855 4.270 431 HE3 LYS 57 HE3 LYS 57 10.320 2.423 3.522 432 HZ1 LYS 57 HZ1 LYS 57 11.245 2.739 5.496 433 HZ2 LYS 57 HZ2 LYS 57 9.807 3.366 6.149 434 HZ3 LYS 57 HZ3 LYS 57 10.901 4.394 5.355 Start of MODEL 7 1 H1 LEU 1 H1 LEU 1 2.294 -2.490 -9.611 2 H2 LEU 1 H2 LEU 1 2.855 -3.063 -11.108 3 H3 LEU 1 H3 LEU 1 3.728 -3.393 -9.688 4 HA LEU 1 HA LEU 1 0.944 -4.291 -9.844 5 HB2 LEU 1 HB2 LEU 1 3.305 -5.576 -11.246 6 HB3 LEU 1 HB3 LEU 1 1.802 -6.426 -10.887 7 HG LEU 1 HG LEU 1 1.414 -3.820 -12.201 8 HD11 LEU 1 HD11 LEU 1 3.359 -4.334 -13.467 9 HD12 LEU 1 HD12 LEU 1 2.017 -4.900 -14.459 10 HD13 LEU 1 HD13 LEU 1 2.966 -6.052 -13.520 11 HD21 LEU 1 HD21 LEU 1 0.495 -6.524 -13.156 12 HD22 LEU 1 HD22 LEU 1 -0.337 -4.972 -13.263 13 HD23 LEU 1 HD23 LEU 1 -0.220 -5.805 -11.713 14 H LYS 2 H LYS 2 2.962 -3.455 -7.806 15 HA LYS 2 HA LYS 2 2.577 -5.590 -5.971 16 HB2 LYS 2 HB2 LYS 2 4.965 -6.202 -5.659 17 HB3 LYS 2 HB3 LYS 2 4.337 -6.689 -7.234 18 HG2 LYS 2 HG2 LYS 2 5.322 -4.025 -7.490 19 HG3 LYS 2 HG3 LYS 2 6.559 -4.970 -6.661 20 HD2 LYS 2 HD2 LYS 2 6.287 -6.733 -8.454 21 HD3 LYS 2 HD3 LYS 2 5.259 -5.594 -9.325 22 HE2 LYS 2 HE2 LYS 2 7.017 -4.266 -9.929 23 HE3 LYS 2 HE3 LYS 2 7.859 -4.515 -8.399 24 HZ1 LYS 2 HZ1 LYS 2 9.093 -6.077 -9.330 25 HZ2 LYS 2 HZ2 LYS 2 8.372 -5.743 -10.832 26 HZ3 LYS 2 HZ3 LYS 2 7.722 -6.945 -9.822 27 H CYS 3 H CYS 3 3.898 -5.211 -3.930 28 HA CYS 3 HA CYS 3 4.967 -2.572 -3.505 29 HB2 CYS 3 HB2 CYS 3 2.926 -2.709 -1.543 30 HB3 CYS 3 HB3 CYS 3 3.105 -1.524 -2.835 31 H TYR 4 H TYR 4 5.093 -2.316 -0.898 32 HA TYR 4 HA TYR 4 6.378 -4.806 -0.014 33 HB2 TYR 4 HB2 TYR 4 6.719 -1.916 0.724 34 HB3 TYR 4 HB3 TYR 4 7.305 -3.191 1.788 35 HD1 TYR 4 HD2 TYR 4 8.793 -5.024 0.730 36 HD2 TYR 4 HD1 TYR 4 8.007 -1.233 -1.124 37 HE1 TYR 4 HE2 TYR 4 10.791 -5.315 -0.705 38 HE2 TYR 4 HE1 TYR 4 10.007 -1.521 -2.563 39 HH TYR 4 HH TYR 4 12.383 -3.164 -2.097 40 H GLN 5 H GLN 5 4.706 -5.989 0.798 41 HA GLN 5 HA GLN 5 2.912 -4.785 2.773 42 HB2 GLN 5 HB2 GLN 5 2.000 -6.314 1.045 43 HB3 GLN 5 HB3 GLN 5 2.985 -7.617 1.710 44 HG2 GLN 5 HG2 GLN 5 1.776 -7.675 3.725 45 HG3 GLN 5 HG3 GLN 5 1.118 -6.057 3.484 46 HE21 GLN 5 HE21 GLN 5 0.739 -9.459 2.600 47 HE22 GLN 5 HE22 GLN 5 -0.756 -9.270 1.819 48 H HIS 6 H HIS 6 5.314 -7.398 2.563 49 HA HIS 6 HA HIS 6 5.539 -7.298 5.514 50 HB2 HIS 6 HB2 HIS 6 4.544 -9.432 4.223 51 HB3 HIS 6 HB3 HIS 6 6.262 -9.804 4.087 52 HD1 HIS 6 HD1 HIS 6 3.510 -9.384 6.603 53 HD2 HIS 6 HD2 HIS 6 7.561 -10.366 6.560 54 HE1 HIS 6 HE1 HIS 6 4.059 -10.260 8.915 55 H GLY 7 H GLY 7 7.104 -5.597 4.138 56 HA2 GLY 7 HA2 GLY 7 9.337 -4.973 4.094 57 HA3 GLY 7 HA3 GLY 7 9.754 -6.568 4.716 58 H LYS 8 H LYS 8 8.373 -8.039 2.666 59 HA LYS 8 HA LYS 8 10.375 -7.819 0.549 60 HB2 LYS 8 HB2 LYS 8 8.247 -9.868 0.361 61 HB3 LYS 8 HB3 LYS 8 9.989 -10.029 0.147 62 HG2 LYS 8 HG2 LYS 8 10.019 -9.541 2.756 63 HG3 LYS 8 HG3 LYS 8 8.369 -10.157 2.660 64 HD2 LYS 8 HD2 LYS 8 9.566 -12.053 1.198 65 HD3 LYS 8 HD3 LYS 8 10.957 -11.572 2.167 66 HE2 LYS 8 HE2 LYS 8 8.314 -12.144 3.499 67 HE3 LYS 8 HE3 LYS 8 9.397 -13.465 3.064 68 HZ1 LYS 8 HZ1 LYS 8 10.088 -12.938 5.176 69 HZ2 LYS 8 HZ2 LYS 8 9.825 -11.271 4.978 70 HZ3 LYS 8 HZ3 LYS 8 11.161 -12.018 4.238 71 H VAL 9 H VAL 9 9.382 -8.400 -1.733 72 HA VAL 9 HA VAL 9 7.353 -6.339 -2.239 73 HB VAL 9 HB VAL 9 8.996 -7.891 -4.252 74 HG11 VAL 9 HG11 VAL 9 8.465 -5.477 -5.351 75 HG12 VAL 9 HG12 VAL 9 7.039 -5.656 -4.329 76 HG13 VAL 9 HG13 VAL 9 7.408 -6.874 -5.552 77 HG21 VAL 9 HG21 VAL 9 9.574 -5.098 -3.257 78 HG22 VAL 9 HG22 VAL 9 10.627 -6.171 -4.177 79 HG23 VAL 9 HG23 VAL 9 10.286 -6.512 -2.481 80 H VAL 10 H VAL 10 5.330 -7.093 -2.054 81 HA VAL 10 HA VAL 10 4.711 -9.801 -3.022 82 HB VAL 10 HB VAL 10 2.489 -9.365 -1.913 83 HG11 VAL 10 HG11 VAL 10 5.113 -9.305 -0.437 84 HG12 VAL 10 HG12 VAL 10 3.983 -10.645 -0.628 85 HG13 VAL 10 HG13 VAL 10 3.590 -9.307 0.451 86 HG21 VAL 10 HG21 VAL 10 3.694 -7.121 -0.389 87 HG22 VAL 10 HG22 VAL 10 2.021 -7.372 -0.888 88 HG23 VAL 10 HG23 VAL 10 3.200 -6.744 -2.039 89 H THR 11 H THR 11 3.191 -10.200 -4.614 90 HA THR 11 HA THR 11 2.608 -7.907 -6.359 91 HB THR 11 HB THR 11 2.617 -10.888 -6.840 92 HG1 THR 11 HG1 THR 11 4.493 -9.171 -6.898 93 HG21 THR 11 HG21 THR 11 0.965 -10.405 -8.332 94 HG22 THR 11 HG22 THR 11 2.295 -9.762 -9.296 95 HG23 THR 11 HG23 THR 11 1.315 -8.676 -8.310 96 H CYS 12 H CYS 12 0.931 -7.379 -4.596 97 HA CYS 12 HA CYS 12 -1.341 -8.803 -4.035 98 HB2 CYS 12 HB2 CYS 12 -1.727 -5.947 -4.793 99 HB3 CYS 12 HB3 CYS 12 -2.264 -6.813 -3.353 100 H HIS 13 H HIS 13 -2.891 -9.720 -5.223 101 HA HIS 13 HA HIS 13 -3.818 -8.458 -7.681 102 HB2 HIS 13 HB2 HIS 13 -1.820 -10.011 -8.201 103 HB3 HIS 13 HB3 HIS 13 -2.929 -11.331 -7.827 104 HD1 HIS 13 HD1 HIS 13 -2.946 -8.190 -10.008 105 HD2 HIS 13 HD2 HIS 13 -4.400 -12.097 -10.027 106 HE1 HIS 13 HE1 HIS 13 -4.107 -8.511 -12.236 107 H ARG 14 H ARG 14 -5.174 -10.755 -8.659 108 HA ARG 14 HA ARG 14 -7.171 -11.861 -8.422 109 HB2 ARG 14 HB2 ARG 14 -6.785 -11.993 -5.455 110 HB3 ARG 14 HB3 ARG 14 -7.412 -13.218 -6.558 111 HG2 ARG 14 HG2 ARG 14 -5.040 -13.239 -7.580 112 HG3 ARG 14 HG3 ARG 14 -4.546 -12.389 -6.117 113 HD2 ARG 14 HD2 ARG 14 -6.177 -14.539 -5.269 114 HD3 ARG 14 HD3 ARG 14 -5.079 -15.200 -6.477 115 HE ARG 14 HE ARG 14 -4.375 -14.294 -3.845 116 HH11 ARG 14 HH21 ARG 14 -3.313 -14.600 -7.124 117 HH12 ARG 14 HH22 ARG 14 -1.631 -14.673 -6.718 118 HH21 ARG 14 HH11 ARG 14 -2.171 -14.389 -3.304 119 HH22 ARG 14 HH12 ARG 14 -0.984 -14.555 -4.555 120 H ASP 15 H ASP 15 -6.543 -8.900 -7.099 121 HA ASP 15 HA ASP 15 -9.122 -7.898 -7.295 122 HB2 ASP 15 HB2 ASP 15 -8.770 -9.446 -4.913 123 HB3 ASP 15 HB3 ASP 15 -8.952 -7.753 -4.459 124 H MET 16 H MET 16 -6.344 -7.716 -5.063 125 HA MET 16 HA MET 16 -6.392 -4.937 -4.677 126 HB2 MET 16 HB2 MET 16 -4.060 -6.866 -4.622 127 HB3 MET 16 HB3 MET 16 -4.031 -5.224 -3.988 128 HG2 MET 16 HG2 MET 16 -5.195 -5.794 -2.124 129 HG3 MET 16 HG3 MET 16 -6.300 -6.829 -3.027 130 HE1 MET 16 HE1 MET 16 -6.444 -8.453 -1.190 131 HE2 MET 16 HE2 MET 16 -5.295 -7.644 -0.127 132 HE3 MET 16 HE3 MET 16 -5.118 -9.365 -0.455 133 H LYS 17 H LYS 17 -5.949 -3.309 -6.016 134 HA LYS 17 HA LYS 17 -4.206 -3.836 -8.347 135 HB2 LYS 17 HB2 LYS 17 -6.732 -3.620 -8.819 136 HB3 LYS 17 HB3 LYS 17 -6.522 -1.913 -8.428 137 HG2 LYS 17 HG2 LYS 17 -5.839 -1.597 -10.551 138 HG3 LYS 17 HG3 LYS 17 -4.394 -2.528 -10.153 139 HD2 LYS 17 HD2 LYS 17 -5.350 -3.625 -12.043 140 HD3 LYS 17 HD3 LYS 17 -5.786 -4.620 -10.652 141 HE2 LYS 17 HE2 LYS 17 -7.947 -4.393 -11.236 142 HE3 LYS 17 HE3 LYS 17 -7.819 -2.672 -10.874 143 HZ1 LYS 17 HZ1 LYS 17 -6.846 -3.683 -13.456 144 HZ2 LYS 17 HZ2 LYS 17 -7.443 -2.143 -13.058 145 HZ3 LYS 17 HZ3 LYS 17 -8.512 -3.453 -13.233 146 H PHE 18 H PHE 18 -4.743 -2.033 -5.560 147 HA PHE 18 HA PHE 18 -2.802 -0.005 -6.467 148 HB2 PHE 18 HB2 PHE 18 -5.264 0.535 -4.793 149 HB3 PHE 18 HB3 PHE 18 -4.029 1.715 -5.222 150 HD1 PHE 18 HD2 PHE 18 -3.496 1.879 -7.821 151 HD2 PHE 18 HD1 PHE 18 -7.150 0.351 -6.156 152 HE1 PHE 18 HE2 PHE 18 -4.657 2.314 -9.969 153 HE2 PHE 18 HE1 PHE 18 -8.311 0.787 -8.304 154 HZ PHE 18 HZ PHE 18 -7.064 1.768 -10.211 155 H CYS 19 H CYS 19 -1.252 0.546 -5.008 156 HA CYS 19 HA CYS 19 -1.221 -0.985 -2.492 157 HB2 CYS 19 HB2 CYS 19 1.052 0.545 -3.785 158 HB3 CYS 19 HB3 CYS 19 1.165 -0.593 -2.443 159 H TYR 20 H TYR 20 -1.086 0.054 -0.507 160 HA TYR 20 HA TYR 20 -1.202 3.002 -0.606 161 HB2 TYR 20 HB2 TYR 20 -3.007 3.078 0.867 162 HB3 TYR 20 HB3 TYR 20 -3.413 1.703 -0.162 163 HD1 TYR 20 HD1 TYR 20 -2.007 2.695 3.129 164 HD2 TYR 20 HD2 TYR 20 -3.473 -0.532 0.701 165 HE1 TYR 20 HE1 TYR 20 -2.038 1.212 5.116 166 HE2 TYR 20 HE2 TYR 20 -3.503 -2.014 2.689 167 HH TYR 20 HH TYR 20 -1.903 -1.660 5.269 168 H HIS 21 H HIS 21 -0.628 4.092 1.371 169 HA HIS 21 HA HIS 21 1.070 2.544 3.213 170 HB2 HIS 21 HB2 HIS 21 2.337 3.794 1.288 171 HB3 HIS 21 HB3 HIS 21 1.979 5.234 2.241 172 HD1 HIS 21 HD1 HIS 21 2.335 4.229 5.076 173 HD2 HIS 21 HD2 HIS 21 4.953 3.211 1.997 174 HE1 HIS 21 HE1 HIS 21 4.513 3.559 6.181 175 H ASN 22 H ASN 22 -0.314 2.776 4.943 176 HA ASN 22 HA ASN 22 -1.473 5.364 5.556 177 HB2 ASN 22 HB2 ASN 22 -2.937 3.629 6.090 178 HB3 ASN 22 HB3 ASN 22 -1.654 2.623 6.757 179 HD21 ASN 22 HD21 ASN 22 -4.236 4.539 7.684 180 HD22 ASN 22 HD22 ASN 22 -3.723 4.938 9.252 181 H THR 23 H THR 23 -0.183 6.865 6.388 182 HA THR 23 HA THR 23 1.775 6.055 8.450 183 HB THR 23 HB THR 23 2.838 8.307 7.866 184 HG1 THR 23 HG1 THR 23 0.663 8.385 6.345 185 HG21 THR 23 HG21 THR 23 4.137 6.624 7.027 186 HG22 THR 23 HG22 THR 23 3.522 7.218 5.486 187 HG23 THR 23 HG23 THR 23 2.773 5.817 6.254 188 H GLY 24 H GLY 24 -1.224 6.962 8.430 189 HA2 GLY 24 HA2 GLY 24 -1.772 9.345 9.540 190 HA3 GLY 24 HA3 GLY 24 -2.494 7.864 10.165 191 H MET 25 H MET 25 -0.500 10.494 10.867 192 HA MET 25 HA MET 25 1.442 9.998 12.560 193 HB2 MET 25 HB2 MET 25 0.468 11.685 14.186 194 HB3 MET 25 HB3 MET 25 0.565 12.216 12.507 195 HG2 MET 25 HG2 MET 25 -1.639 12.691 12.660 196 HG3 MET 25 HG3 MET 25 -1.913 10.948 12.661 197 HE1 MET 25 HE1 MET 25 -4.368 12.114 15.368 198 HE2 MET 25 HE2 MET 25 -4.115 11.497 13.736 199 HE3 MET 25 HE3 MET 25 -3.853 13.206 14.075 200 HA PRO 26 HA PRO 26 -0.435 6.467 14.817 201 HB2 PRO 26 HB2 PRO 26 2.394 6.432 15.769 202 HB3 PRO 26 HB3 PRO 26 1.382 5.095 15.191 203 HG2 PRO 26 HG2 PRO 26 3.310 6.148 13.678 204 HG3 PRO 26 HG3 PRO 26 1.790 5.559 12.985 205 HD2 PRO 26 HD2 PRO 26 2.710 8.367 13.385 206 HD3 PRO 26 HD3 PRO 26 1.620 7.699 12.149 207 H PHE 27 H PHE 27 0.371 5.871 17.325 208 HA PHE 27 HA PHE 27 -0.047 8.391 18.819 209 HB2 PHE 27 HB2 PHE 27 -1.719 6.231 18.763 210 HB3 PHE 27 HB3 PHE 27 -0.722 5.861 20.169 211 HD1 PHE 27 HD2 PHE 27 -0.436 7.650 21.967 212 HD2 PHE 27 HD1 PHE 27 -3.399 7.899 18.867 213 HE1 PHE 27 HE2 PHE 27 -1.691 9.320 23.302 214 HE2 PHE 27 HE1 PHE 27 -4.655 9.570 20.203 215 HZ PHE 27 HZ PHE 27 -3.800 10.281 22.420 216 H ARG 28 H ARG 28 2.519 7.209 18.014 217 HA ARG 28 HA ARG 28 4.564 6.622 18.901 218 HB2 ARG 28 HB2 ARG 28 3.328 8.621 20.665 219 HB3 ARG 28 HB3 ARG 28 4.601 7.675 21.434 220 HG2 ARG 28 HG2 ARG 28 5.507 9.701 20.324 221 HG3 ARG 28 HG3 ARG 28 6.144 8.219 19.606 222 HD2 ARG 28 HD2 ARG 28 3.639 9.144 18.379 223 HD3 ARG 28 HD3 ARG 28 4.975 10.277 18.197 224 HE ARG 28 HE ARG 28 4.740 7.672 16.961 225 HH11 ARG 28 HH21 ARG 28 6.860 10.174 18.068 226 HH12 ARG 28 HH22 ARG 28 8.149 9.748 16.992 227 HH21 ARG 28 HH11 ARG 28 6.427 7.106 15.549 228 HH22 ARG 28 HH12 ARG 28 7.904 8.010 15.567 229 H ASN 29 H ASN 29 4.934 4.542 19.339 230 HA ASN 29 HA ASN 29 4.554 3.505 21.977 231 HB2 ASN 29 HB2 ASN 29 2.484 3.012 19.975 232 HB3 ASN 29 HB3 ASN 29 3.168 1.525 20.631 233 HD21 ASN 29 HD21 ASN 29 3.237 1.408 23.106 234 HD22 ASN 29 HD22 ASN 29 1.994 2.178 23.968 235 H LEU 30 H LEU 30 4.803 2.428 18.582 236 HA LEU 30 HA LEU 30 7.411 1.267 19.130 237 HB2 LEU 30 HB2 LEU 30 5.747 -0.507 19.762 238 HB3 LEU 30 HB3 LEU 30 5.180 -0.493 18.092 239 HG LEU 30 HG LEU 30 7.409 -1.107 17.294 240 HD11 LEU 30 HD11 LEU 30 9.003 -0.197 18.703 241 HD12 LEU 30 HD12 LEU 30 8.993 -1.856 19.303 242 HD13 LEU 30 HD13 LEU 30 8.097 -0.601 20.161 243 HD21 LEU 30 HD21 LEU 30 7.590 -3.284 18.899 244 HD22 LEU 30 HD22 LEU 30 6.366 -3.119 17.639 245 HD23 LEU 30 HD23 LEU 30 5.964 -2.738 19.314 246 H LYS 31 H LYS 31 5.116 2.666 17.100 247 HA LYS 31 HA LYS 31 5.316 3.525 14.970 248 HB2 LYS 31 HB2 LYS 31 7.894 3.413 15.771 249 HB3 LYS 31 HB3 LYS 31 7.944 2.272 14.427 250 HG2 LYS 31 HG2 LYS 31 6.959 3.947 12.933 251 HG3 LYS 31 HG3 LYS 31 6.831 5.088 14.272 252 HD2 LYS 31 HD2 LYS 31 9.174 5.338 14.440 253 HD3 LYS 31 HD3 LYS 31 9.483 3.871 13.512 254 HE2 LYS 31 HE2 LYS 31 9.565 6.391 12.457 255 HE3 LYS 31 HE3 LYS 31 9.252 4.934 11.513 256 HZ1 LYS 31 HZ1 LYS 31 7.056 6.364 12.869 257 HZ2 LYS 31 HZ2 LYS 31 6.979 5.300 11.547 258 HZ3 LYS 31 HZ3 LYS 31 7.606 6.866 11.346 259 H LEU 32 H LEU 32 3.734 1.489 15.043 260 HA LEU 32 HA LEU 32 4.594 -0.785 13.500 261 HB2 LEU 32 HB2 LEU 32 1.706 -0.080 13.855 262 HB3 LEU 32 HB3 LEU 32 2.487 -1.660 13.898 263 HG LEU 32 HG LEU 32 3.721 -0.486 16.003 264 HD11 LEU 32 HD11 LEU 32 1.908 1.444 15.414 265 HD12 LEU 32 HD12 LEU 32 2.492 1.135 17.048 266 HD13 LEU 32 HD13 LEU 32 0.954 0.455 16.519 267 HD21 LEU 32 HD21 LEU 32 2.660 -2.639 16.154 268 HD22 LEU 32 HD22 LEU 32 1.062 -1.936 15.905 269 HD23 LEU 32 HD23 LEU 32 1.935 -1.631 17.407 270 H ILE 33 H ILE 33 4.941 -0.710 11.385 271 HA ILE 33 HA ILE 33 4.018 1.421 9.727 272 HB ILE 33 HB ILE 33 5.550 -1.110 9.318 273 HG12 ILE 33 HG12 ILE 33 6.547 1.141 9.946 274 HG13 ILE 33 HG13 ILE 33 7.217 0.410 8.488 275 HG21 ILE 33 HG21 ILE 33 4.152 0.477 7.154 276 HG22 ILE 33 HG22 ILE 33 4.080 -1.261 7.438 277 HG23 ILE 33 HG23 ILE 33 5.565 -0.529 6.831 278 HD11 ILE 33 HD11 ILE 33 6.560 2.166 7.242 279 HD12 ILE 33 HD12 ILE 33 6.060 2.972 8.728 280 HD13 ILE 33 HD13 ILE 33 4.901 2.009 7.815 281 H LEU 34 H LEU 34 2.241 1.582 8.492 282 HA LEU 34 HA LEU 34 0.461 -0.776 8.342 283 HB2 LEU 34 HB2 LEU 34 -0.183 2.172 8.528 284 HB3 LEU 34 HB3 LEU 34 -1.379 0.942 8.119 285 HG LEU 34 HG LEU 34 0.162 0.168 10.460 286 HD11 LEU 34 HD11 LEU 34 -0.786 1.892 11.979 287 HD12 LEU 34 HD12 LEU 34 -1.382 2.777 10.574 288 HD13 LEU 34 HD13 LEU 34 0.353 2.586 10.825 289 HD21 LEU 34 HD21 LEU 34 -2.785 0.819 10.192 290 HD22 LEU 34 HD22 LEU 34 -2.031 -0.286 11.340 291 HD23 LEU 34 HD23 LEU 34 -2.083 -0.695 9.625 292 H GLN 35 H GLN 35 1.706 -1.339 6.400 293 HA GLN 35 HA GLN 35 0.773 0.199 4.052 294 HB2 GLN 35 HB2 GLN 35 3.162 0.553 4.315 295 HB3 GLN 35 HB3 GLN 35 3.436 -1.185 4.447 296 HG2 GLN 35 HG2 GLN 35 2.499 -1.468 2.152 297 HG3 GLN 35 HG3 GLN 35 2.356 0.284 2.025 298 HE21 GLN 35 HE21 GLN 35 4.979 0.377 3.747 299 HE22 GLN 35 HE22 GLN 35 6.194 0.126 2.589 300 H GLY 36 H GLY 36 -0.338 -0.934 2.591 301 HA2 GLY 36 HA2 GLY 36 0.133 -3.727 2.081 302 HA3 GLY 36 HA3 GLY 36 -1.372 -3.442 2.950 303 H CYS 37 H CYS 37 -1.942 -4.537 0.712 304 HA CYS 37 HA CYS 37 -2.349 -2.435 -1.316 305 HB2 CYS 37 HB2 CYS 37 -3.085 -5.189 -2.017 306 HB3 CYS 37 HB3 CYS 37 -2.119 -4.017 -2.913 307 H SER 38 H SER 38 -4.416 -2.501 -2.495 308 HA SER 38 HA SER 38 -6.699 -3.753 -1.278 309 HB2 SER 38 HB2 SER 38 -6.006 -1.611 0.129 310 HB3 SER 38 HB3 SER 38 -6.856 -0.774 -1.166 311 HG SER 38 HG SER 38 -8.294 -1.336 0.484 312 H SER 39 H SER 39 -8.424 -3.794 -2.655 313 HA SER 39 HA SER 39 -7.981 -3.083 -5.379 314 HB2 SER 39 HB2 SER 39 -10.770 -3.558 -4.600 315 HB3 SER 39 HB3 SER 39 -9.771 -4.401 -5.781 316 HG SER 39 HG SER 39 -9.177 -5.791 -4.292 317 H SER 40 H SER 40 -9.883 -1.680 -2.748 318 HA SER 40 HA SER 40 -10.289 0.721 -4.428 319 HB2 SER 40 HB2 SER 40 -12.342 -0.827 -3.786 320 HB3 SER 40 HB3 SER 40 -12.227 0.043 -2.259 321 HG SER 40 HG SER 40 -12.968 0.917 -4.777 322 H CYS 41 H CYS 41 -8.323 1.538 -3.465 323 HA CYS 41 HA CYS 41 -8.227 1.959 -0.602 324 HB2 CYS 41 HB2 CYS 41 -6.165 1.575 -1.894 325 HB3 CYS 41 HB3 CYS 41 -6.465 3.051 -2.810 326 H SER 42 H SER 42 -8.110 4.075 0.385 327 HA SER 42 HA SER 42 -9.732 6.079 -1.066 328 HB2 SER 42 HB2 SER 42 -9.935 4.955 1.611 329 HB3 SER 42 HB3 SER 42 -9.846 6.714 1.641 330 HG SER 42 HG SER 42 -11.978 6.130 1.353 331 H GLU 43 H GLU 43 -7.824 7.008 -1.996 332 HA GLU 43 HA GLU 43 -5.495 7.820 -0.904 333 HB2 GLU 43 HB2 GLU 43 -6.685 8.400 -3.216 334 HB3 GLU 43 HB3 GLU 43 -6.971 9.936 -2.397 335 HG2 GLU 43 HG2 GLU 43 -4.262 8.598 -2.627 336 HG3 GLU 43 HG3 GLU 43 -4.821 9.898 -3.677 337 H THR 44 H THR 44 -4.836 9.034 0.753 338 HA THR 44 HA THR 44 -6.297 11.361 1.637 339 HB THR 44 HB THR 44 -6.112 10.062 4.063 340 HG1 THR 44 HG1 THR 44 -7.577 8.209 2.765 341 HG21 THR 44 HG21 THR 44 -8.683 9.729 3.592 342 HG22 THR 44 HG22 THR 44 -8.324 10.629 2.120 343 HG23 THR 44 HG23 THR 44 -8.011 11.355 3.695 344 H GLU 45 H GLU 45 -5.038 12.719 2.920 345 HA GLU 45 HA GLU 45 -2.332 12.805 2.621 346 HB2 GLU 45 HB2 GLU 45 -4.090 14.379 3.912 347 HB3 GLU 45 HB3 GLU 45 -3.300 13.637 5.304 348 HG2 GLU 45 HG2 GLU 45 -1.081 14.223 4.154 349 HG3 GLU 45 HG3 GLU 45 -2.035 15.253 3.088 350 H ASN 46 H ASN 46 -4.114 11.121 5.176 351 HA ASN 46 HA ASN 46 -1.697 10.127 6.425 352 HB2 ASN 46 HB2 ASN 46 -3.366 10.405 8.007 353 HB3 ASN 46 HB3 ASN 46 -4.639 9.874 6.910 354 HD21 ASN 46 HD21 ASN 46 -5.302 8.362 8.704 355 HD22 ASN 46 HD22 ASN 46 -4.457 6.903 8.900 356 H ASN 47 H ASN 47 -4.410 8.756 4.573 357 HA ASN 47 HA ASN 47 -2.786 6.337 4.103 358 HB2 ASN 47 HB2 ASN 47 -4.714 5.424 4.904 359 HB3 ASN 47 HB3 ASN 47 -5.685 6.827 4.466 360 HD21 ASN 47 HD21 ASN 47 -4.002 4.017 2.963 361 HD22 ASN 47 HD22 ASN 47 -5.091 3.875 1.669 362 H LYS 48 H LYS 48 -1.628 6.692 2.289 363 HA LYS 48 HA LYS 48 -2.937 7.977 -0.011 364 HB2 LYS 48 HB2 LYS 48 -0.050 7.330 0.604 365 HB3 LYS 48 HB3 LYS 48 -0.593 7.955 -0.955 366 HG2 LYS 48 HG2 LYS 48 -1.532 9.934 0.139 367 HG3 LYS 48 HG3 LYS 48 -1.060 9.308 1.718 368 HD2 LYS 48 HD2 LYS 48 0.596 10.936 0.962 369 HD3 LYS 48 HD3 LYS 48 1.319 9.327 0.978 370 HE2 LYS 48 HE2 LYS 48 1.618 9.325 -1.267 371 HE3 LYS 48 HE3 LYS 48 0.008 9.980 -1.565 372 HZ1 LYS 48 HZ1 LYS 48 0.847 12.002 -1.809 373 HZ2 LYS 48 HZ2 LYS 48 2.402 11.321 -1.762 374 HZ3 LYS 48 HZ3 LYS 48 1.688 11.913 -0.339 375 H CYS 49 H CYS 49 -2.768 7.022 -2.127 376 HA CYS 49 HA CYS 49 -2.318 4.106 -2.114 377 HB2 CYS 49 HB2 CYS 49 -4.544 5.189 -3.771 378 HB3 CYS 49 HB3 CYS 49 -4.367 3.606 -3.013 379 H CYS 50 H CYS 50 -0.870 3.573 -3.593 380 HA CYS 50 HA CYS 50 -0.609 5.274 -5.999 381 HB2 CYS 50 HB2 CYS 50 1.719 4.628 -6.102 382 HB3 CYS 50 HB3 CYS 50 1.382 5.238 -4.483 383 H SER 51 H SER 51 -0.314 4.244 -8.005 384 HA SER 51 HA SER 51 -1.206 1.425 -8.034 385 HB2 SER 51 HB2 SER 51 -1.420 3.179 -10.437 386 HB3 SER 51 HB3 SER 51 -2.448 1.843 -9.931 387 HG SER 51 HG SER 51 -3.551 3.728 -9.530 388 H THR 52 H THR 52 1.551 2.225 -7.717 389 HA THR 52 HA THR 52 2.644 1.147 -10.245 390 HB THR 52 HB THR 52 4.411 2.790 -8.523 391 HG1 THR 52 HG1 THR 52 2.049 3.686 -9.602 392 HG21 THR 52 HG21 THR 52 5.078 3.603 -10.825 393 HG22 THR 52 HG22 THR 52 3.908 2.462 -11.490 394 HG23 THR 52 HG23 THR 52 5.289 1.871 -10.566 395 H ASP 53 H ASP 53 5.315 1.036 -9.085 396 HA ASP 53 HA ASP 53 4.915 -1.285 -7.300 397 HB2 ASP 53 HB2 ASP 53 7.410 -0.725 -8.894 398 HB3 ASP 53 HB3 ASP 53 6.868 -2.254 -8.201 399 H ARG 54 H ARG 54 6.202 -1.504 -5.460 400 HA ARG 54 HA ARG 54 7.027 -0.558 -3.500 401 HB2 ARG 54 HB2 ARG 54 9.380 0.189 -3.812 402 HB3 ARG 54 HB3 ARG 54 9.035 -1.340 -4.621 403 HG2 ARG 54 HG2 ARG 54 8.828 -0.246 -6.762 404 HG3 ARG 54 HG3 ARG 54 8.917 1.348 -6.012 405 HD2 ARG 54 HD2 ARG 54 11.214 0.744 -5.179 406 HD3 ARG 54 HD3 ARG 54 11.116 -0.731 -6.134 407 HE ARG 54 HE ARG 54 11.583 1.939 -7.134 408 HH11 ARG 54 HH21 ARG 54 10.359 -1.227 -7.810 409 HH12 ARG 54 HH22 ARG 54 10.613 -1.111 -9.520 410 HH21 ARG 54 HH11 ARG 54 11.919 2.098 -9.377 411 HH22 ARG 54 HH12 ARG 54 11.494 0.771 -10.405 412 H CYS 55 H CYS 55 5.214 1.206 -5.006 413 HA CYS 55 HA CYS 55 6.349 3.873 -4.717 414 HB2 CYS 55 HB2 CYS 55 3.944 4.520 -5.381 415 HB3 CYS 55 HB3 CYS 55 4.928 3.690 -6.588 416 H ASN 56 H ASN 56 4.810 1.624 -2.736 417 HA ASN 56 HA ASN 56 3.009 2.870 -1.152 418 HB2 ASN 56 HB2 ASN 56 4.016 1.635 0.788 419 HB3 ASN 56 HB3 ASN 56 3.728 0.633 -0.635 420 HD21 ASN 56 HD21 ASN 56 6.244 2.093 1.372 421 HD22 ASN 56 HD22 ASN 56 7.544 1.280 0.641 422 H LYS 57 H LYS 57 6.539 3.256 -0.861 423 HA LYS 57 HA LYS 57 6.694 4.958 1.291 424 HB2 LYS 57 HB2 LYS 57 8.572 6.037 -0.388 425 HB3 LYS 57 HB3 LYS 57 8.817 4.596 0.599 426 HG2 LYS 57 HG2 LYS 57 8.286 3.141 -1.209 427 HG3 LYS 57 HG3 LYS 57 7.614 4.458 -2.170 428 HD2 LYS 57 HD2 LYS 57 9.781 4.032 -3.080 429 HD3 LYS 57 HD3 LYS 57 9.943 5.503 -2.121 430 HE2 LYS 57 HE2 LYS 57 10.378 3.288 -0.377 431 HE3 LYS 57 HE3 LYS 57 11.355 3.030 -1.824 432 HZ1 LYS 57 HZ1 LYS 57 12.467 4.366 -0.079 433 HZ2 LYS 57 HZ2 LYS 57 11.291 5.573 -0.295 434 HZ3 LYS 57 HZ3 LYS 57 12.341 5.167 -1.567 Start of MODEL 8 1 H1 LEU 1 H1 LEU 1 2.662 -6.029 -11.449 2 H2 LEU 1 H2 LEU 1 3.880 -5.554 -10.365 3 H3 LEU 1 H3 LEU 1 3.228 -4.430 -11.459 4 HA LEU 1 HA LEU 1 1.969 -3.804 -9.731 5 HB2 LEU 1 HB2 LEU 1 0.722 -6.246 -10.930 6 HB3 LEU 1 HB3 LEU 1 -0.030 -5.545 -9.498 7 HG LEU 1 HG LEU 1 0.026 -3.308 -10.690 8 HD11 LEU 1 HD11 LEU 1 0.385 -3.278 -13.076 9 HD12 LEU 1 HD12 LEU 1 0.538 -5.034 -13.128 10 HD13 LEU 1 HD13 LEU 1 1.785 -4.062 -12.344 11 HD21 LEU 1 HD21 LEU 1 -1.596 -5.681 -11.545 12 HD22 LEU 1 HD22 LEU 1 -1.804 -4.159 -12.411 13 HD23 LEU 1 HD23 LEU 1 -2.107 -4.235 -10.675 14 H LYS 2 H LYS 2 3.395 -3.957 -7.962 15 HA LYS 2 HA LYS 2 2.616 -5.923 -5.977 16 HB2 LYS 2 HB2 LYS 2 4.654 -7.015 -5.703 17 HB3 LYS 2 HB3 LYS 2 4.545 -6.882 -7.457 18 HG2 LYS 2 HG2 LYS 2 5.770 -4.581 -7.060 19 HG3 LYS 2 HG3 LYS 2 6.266 -5.337 -5.547 20 HD2 LYS 2 HD2 LYS 2 7.968 -6.180 -6.806 21 HD3 LYS 2 HD3 LYS 2 6.756 -7.359 -7.309 22 HE2 LYS 2 HE2 LYS 2 6.248 -6.120 -9.299 23 HE3 LYS 2 HE3 LYS 2 7.177 -4.727 -8.743 24 HZ1 LYS 2 HZ1 LYS 2 8.086 -7.192 -9.962 25 HZ2 LYS 2 HZ2 LYS 2 9.015 -6.661 -8.642 26 HZ3 LYS 2 HZ3 LYS 2 8.784 -5.646 -9.985 27 H CYS 3 H CYS 3 3.527 -5.445 -3.861 28 HA CYS 3 HA CYS 3 4.896 -2.905 -3.517 29 HB2 CYS 3 HB2 CYS 3 2.753 -2.640 -1.743 30 HB3 CYS 3 HB3 CYS 3 3.033 -1.695 -3.205 31 H TYR 4 H TYR 4 4.874 -2.455 -0.974 32 HA TYR 4 HA TYR 4 6.023 -4.851 0.202 33 HB2 TYR 4 HB2 TYR 4 5.953 -1.944 0.958 34 HB3 TYR 4 HB3 TYR 4 6.486 -3.167 2.112 35 HD1 TYR 4 HD1 TYR 4 8.179 -4.963 1.082 36 HD2 TYR 4 HD2 TYR 4 7.563 -0.990 -0.428 37 HE1 TYR 4 HE1 TYR 4 10.396 -5.039 -0.021 38 HE2 TYR 4 HE2 TYR 4 9.782 -1.065 -1.532 39 HH TYR 4 HH TYR 4 11.403 -2.633 -2.297 40 H GLN 5 H GLN 5 4.242 -6.147 0.606 41 HA GLN 5 HA GLN 5 2.151 -5.119 2.391 42 HB2 GLN 5 HB2 GLN 5 1.417 -6.391 0.436 43 HB3 GLN 5 HB3 GLN 5 2.400 -7.764 0.945 44 HG2 GLN 5 HG2 GLN 5 0.828 -8.456 2.403 45 HG3 GLN 5 HG3 GLN 5 0.677 -6.843 3.098 46 HE21 GLN 5 HE21 GLN 5 -1.025 -9.173 1.348 47 HE22 GLN 5 HE22 GLN 5 -2.216 -8.164 0.680 48 H HIS 6 H HIS 6 4.783 -7.468 2.306 49 HA HIS 6 HA HIS 6 4.426 -7.834 5.214 50 HB2 HIS 6 HB2 HIS 6 4.048 -9.820 3.271 51 HB3 HIS 6 HB3 HIS 6 5.638 -10.148 3.958 52 HD1 HIS 6 HD1 HIS 6 2.006 -10.171 4.770 53 HD2 HIS 6 HD2 HIS 6 5.609 -10.678 6.803 54 HE1 HIS 6 HE1 HIS 6 1.421 -11.154 7.030 55 H GLY 7 H GLY 7 6.169 -6.017 3.733 56 HA2 GLY 7 HA2 GLY 7 8.296 -5.224 4.348 57 HA3 GLY 7 HA3 GLY 7 8.686 -6.821 4.976 58 H LYS 8 H LYS 8 7.391 -7.583 2.134 59 HA LYS 8 HA LYS 8 9.833 -7.080 0.559 60 HB2 LYS 8 HB2 LYS 8 8.611 -9.727 0.156 61 HB3 LYS 8 HB3 LYS 8 10.312 -9.273 0.263 62 HG2 LYS 8 HG2 LYS 8 10.149 -9.117 2.700 63 HG3 LYS 8 HG3 LYS 8 8.425 -9.482 2.627 64 HD2 LYS 8 HD2 LYS 8 9.187 -11.616 3.005 65 HD3 LYS 8 HD3 LYS 8 9.360 -11.597 1.248 66 HE2 LYS 8 HE2 LYS 8 11.483 -12.302 1.878 67 HE3 LYS 8 HE3 LYS 8 11.726 -10.556 1.807 68 HZ1 LYS 8 HZ1 LYS 8 11.197 -12.200 4.219 69 HZ2 LYS 8 HZ2 LYS 8 11.168 -10.502 4.215 70 HZ3 LYS 8 HZ3 LYS 8 12.607 -11.329 3.855 71 H VAL 9 H VAL 9 9.296 -6.133 -1.296 72 HA VAL 9 HA VAL 9 6.835 -5.545 -2.271 73 HB VAL 9 HB VAL 9 8.153 -6.004 -4.619 74 HG11 VAL 9 HG11 VAL 9 7.217 -3.864 -3.639 75 HG12 VAL 9 HG12 VAL 9 8.732 -3.670 -4.520 76 HG13 VAL 9 HG13 VAL 9 8.733 -3.687 -2.757 77 HG21 VAL 9 HG21 VAL 9 10.011 -6.955 -3.024 78 HG22 VAL 9 HG22 VAL 9 10.346 -5.254 -2.703 79 HG23 VAL 9 HG23 VAL 9 10.475 -5.883 -4.344 80 H VAL 10 H VAL 10 5.326 -7.195 -1.952 81 HA VAL 10 HA VAL 10 5.686 -9.614 -3.610 82 HB VAL 10 HB VAL 10 3.876 -10.575 -2.157 83 HG11 VAL 10 HG11 VAL 10 6.615 -10.200 -1.646 84 HG12 VAL 10 HG12 VAL 10 5.561 -11.407 -0.911 85 HG13 VAL 10 HG13 VAL 10 5.811 -9.854 -0.115 86 HG21 VAL 10 HG21 VAL 10 3.295 -8.038 -1.485 87 HG22 VAL 10 HG22 VAL 10 4.403 -8.417 -0.166 88 HG23 VAL 10 HG23 VAL 10 2.954 -9.393 -0.408 89 H THR 11 H THR 11 4.136 -10.232 -5.073 90 HA THR 11 HA THR 11 2.541 -8.188 -6.241 91 HB THR 11 HB THR 11 2.263 -11.163 -6.690 92 HG1 THR 11 HG1 THR 11 4.242 -11.034 -7.339 93 HG21 THR 11 HG21 THR 11 1.210 -8.730 -7.921 94 HG22 THR 11 HG22 THR 11 0.683 -10.401 -8.113 95 HG23 THR 11 HG23 THR 11 2.021 -9.780 -9.082 96 H CYS 12 H CYS 12 1.080 -7.391 -4.730 97 HA CYS 12 HA CYS 12 -0.502 -8.643 -2.919 98 HB2 CYS 12 HB2 CYS 12 -1.435 -6.485 -4.827 99 HB3 CYS 12 HB3 CYS 12 -2.175 -6.886 -3.275 100 H HIS 13 H HIS 13 -2.757 -9.357 -2.975 101 HA HIS 13 HA HIS 13 -3.262 -11.525 -4.529 102 HB2 HIS 13 HB2 HIS 13 -5.163 -9.544 -3.290 103 HB3 HIS 13 HB3 HIS 13 -5.726 -11.004 -4.098 104 HD1 HIS 13 HD1 HIS 13 -4.832 -9.869 -0.848 105 HD2 HIS 13 HD2 HIS 13 -4.140 -13.397 -2.959 106 HE1 HIS 13 HE1 HIS 13 -4.232 -11.629 0.873 107 H ARG 14 H ARG 14 -4.985 -11.839 -6.202 108 HA ARG 14 HA ARG 14 -4.369 -10.308 -8.524 109 HB2 ARG 14 HB2 ARG 14 -6.350 -12.481 -7.894 110 HB3 ARG 14 HB3 ARG 14 -6.393 -11.648 -9.448 111 HG2 ARG 14 HG2 ARG 14 -3.684 -12.438 -8.682 112 HG3 ARG 14 HG3 ARG 14 -4.775 -13.817 -8.820 113 HD2 ARG 14 HD2 ARG 14 -3.653 -13.232 -10.980 114 HD3 ARG 14 HD3 ARG 14 -5.411 -13.161 -11.066 115 HE ARG 14 HE ARG 14 -5.268 -10.838 -11.317 116 HH11 ARG 14 HH21 ARG 14 -2.222 -12.250 -10.473 117 HH12 ARG 14 HH22 ARG 14 -1.311 -10.813 -10.793 118 HH21 ARG 14 HH11 ARG 14 -4.079 -8.949 -11.735 119 HH22 ARG 14 HH12 ARG 14 -2.362 -8.945 -11.506 120 H ASP 15 H ASP 15 -6.740 -10.026 -6.030 121 HA ASP 15 HA ASP 15 -8.570 -8.393 -7.567 122 HB2 ASP 15 HB2 ASP 15 -9.507 -9.717 -5.796 123 HB3 ASP 15 HB3 ASP 15 -8.375 -9.046 -4.622 124 H MET 16 H MET 16 -6.186 -7.860 -4.976 125 HA MET 16 HA MET 16 -6.551 -5.067 -4.773 126 HB2 MET 16 HB2 MET 16 -4.245 -6.892 -4.092 127 HB3 MET 16 HB3 MET 16 -4.207 -5.159 -3.780 128 HG2 MET 16 HG2 MET 16 -5.632 -5.324 -2.024 129 HG3 MET 16 HG3 MET 16 -6.680 -6.462 -2.872 130 HE1 MET 16 HE1 MET 16 -6.260 -6.400 -0.060 131 HE2 MET 16 HE2 MET 16 -4.540 -6.291 0.304 132 HE3 MET 16 HE3 MET 16 -5.418 -7.773 0.674 133 H LYS 17 H LYS 17 -6.211 -3.614 -6.323 134 HA LYS 17 HA LYS 17 -3.997 -4.084 -8.230 135 HB2 LYS 17 HB2 LYS 17 -6.555 -4.002 -8.960 136 HB3 LYS 17 HB3 LYS 17 -6.255 -2.264 -8.922 137 HG2 LYS 17 HG2 LYS 17 -4.070 -2.953 -10.263 138 HG3 LYS 17 HG3 LYS 17 -5.050 -4.356 -10.689 139 HD2 LYS 17 HD2 LYS 17 -6.874 -2.420 -11.113 140 HD3 LYS 17 HD3 LYS 17 -5.406 -1.499 -11.440 141 HE2 LYS 17 HE2 LYS 17 -4.726 -3.537 -12.910 142 HE3 LYS 17 HE3 LYS 17 -6.438 -3.957 -12.844 143 HZ1 LYS 17 HZ1 LYS 17 -5.482 -2.374 -14.691 144 HZ2 LYS 17 HZ2 LYS 17 -5.728 -1.194 -13.493 145 HZ3 LYS 17 HZ3 LYS 17 -7.031 -2.138 -14.042 146 H PHE 18 H PHE 18 -4.639 -2.402 -5.567 147 HA PHE 18 HA PHE 18 -3.017 -0.105 -6.453 148 HB2 PHE 18 HB2 PHE 18 -5.410 0.159 -4.628 149 HB3 PHE 18 HB3 PHE 18 -4.394 1.458 -5.246 150 HD1 PHE 18 HD2 PHE 18 -4.293 1.821 -7.779 151 HD2 PHE 18 HD1 PHE 18 -7.266 -0.621 -5.871 152 HE1 PHE 18 HE2 PHE 18 -5.727 1.993 -9.795 153 HE2 PHE 18 HE1 PHE 18 -8.701 -0.449 -7.886 154 HZ PHE 18 HZ PHE 18 -7.931 0.859 -9.848 155 H CYS 19 H CYS 19 -1.403 0.374 -5.113 156 HA CYS 19 HA CYS 19 -1.270 -1.058 -2.537 157 HB2 CYS 19 HB2 CYS 19 0.975 0.334 -4.018 158 HB3 CYS 19 HB3 CYS 19 1.122 -0.766 -2.647 159 H TYR 20 H TYR 20 -0.764 0.114 -0.622 160 HA TYR 20 HA TYR 20 -0.693 3.030 -0.900 161 HB2 TYR 20 HB2 TYR 20 -2.486 3.389 0.648 162 HB3 TYR 20 HB3 TYR 20 -3.078 2.299 -0.602 163 HD1 TYR 20 HD1 TYR 20 -3.231 -0.157 -0.147 164 HD2 TYR 20 HD2 TYR 20 -2.273 2.684 2.929 165 HE1 TYR 20 HE1 TYR 20 -3.768 -1.849 1.584 166 HE2 TYR 20 HE2 TYR 20 -2.810 0.990 4.660 167 HH TYR 20 HH TYR 20 -4.524 -1.329 4.490 168 H HIS 21 H HIS 21 0.154 4.151 0.859 169 HA HIS 21 HA HIS 21 1.620 2.472 2.806 170 HB2 HIS 21 HB2 HIS 21 2.771 4.072 0.968 171 HB3 HIS 21 HB3 HIS 21 2.524 5.246 2.260 172 HD1 HIS 21 HD1 HIS 21 3.350 1.564 2.693 173 HD2 HIS 21 HD2 HIS 21 5.085 5.295 3.368 174 HE1 HIS 21 HE1 HIS 21 5.486 1.138 3.984 175 H ASN 22 H ASN 22 0.387 2.528 4.610 176 HA ASN 22 HA ASN 22 -1.139 4.836 5.374 177 HB2 ASN 22 HB2 ASN 22 -1.815 2.505 5.919 178 HB3 ASN 22 HB3 ASN 22 -0.437 2.393 7.013 179 HD21 ASN 22 HD21 ASN 22 -3.720 3.350 6.806 180 HD22 ASN 22 HD22 ASN 22 -3.805 4.186 8.281 181 H THR 23 H THR 23 -0.680 6.390 6.834 182 HA THR 23 HA THR 23 1.886 6.219 8.283 183 HB THR 23 HB THR 23 1.835 8.837 7.859 184 HG1 THR 23 HG1 THR 23 0.127 7.702 5.976 185 HG21 THR 23 HG21 THR 23 3.685 7.426 7.200 186 HG22 THR 23 HG22 THR 23 3.238 8.420 5.813 187 HG23 THR 23 HG23 THR 23 2.741 6.728 5.883 188 H GLY 24 H GLY 24 -1.326 6.276 8.609 189 HA2 GLY 24 HA2 GLY 24 -2.294 8.220 10.163 190 HA3 GLY 24 HA3 GLY 24 -2.537 6.534 10.598 191 H MET 25 H MET 25 -0.528 5.551 11.716 192 HA MET 25 HA MET 25 0.646 5.460 13.695 193 HB2 MET 25 HB2 MET 25 2.179 6.753 12.140 194 HB3 MET 25 HB3 MET 25 1.595 8.221 12.923 195 HG2 MET 25 HG2 MET 25 2.238 6.456 15.022 196 HG3 MET 25 HG3 MET 25 3.564 6.321 13.867 197 HE1 MET 25 HE1 MET 25 2.276 7.854 16.764 198 HE2 MET 25 HE2 MET 25 3.417 9.161 17.073 199 HE3 MET 25 HE3 MET 25 4.012 7.519 16.836 200 HA PRO 26 HA PRO 26 -2.636 8.272 15.661 201 HB2 PRO 26 HB2 PRO 26 -3.061 5.714 17.125 202 HB3 PRO 26 HB3 PRO 26 -4.253 6.846 16.459 203 HG2 PRO 26 HG2 PRO 26 -3.728 4.498 15.296 204 HG3 PRO 26 HG3 PRO 26 -4.137 5.945 14.359 205 HD2 PRO 26 HD2 PRO 26 -1.487 4.615 14.709 206 HD3 PRO 26 HD3 PRO 26 -2.118 5.535 13.325 207 H PHE 27 H PHE 27 -2.811 8.743 18.033 208 HA PHE 27 HA PHE 27 -0.242 9.050 19.202 209 HB2 PHE 27 HB2 PHE 27 -2.950 9.307 20.535 210 HB3 PHE 27 HB3 PHE 27 -1.428 10.001 21.099 211 HD1 PHE 27 HD2 PHE 27 -4.092 10.204 18.558 212 HD2 PHE 27 HD1 PHE 27 -0.412 11.911 19.970 213 HE1 PHE 27 HE2 PHE 27 -4.466 12.195 17.127 214 HE2 PHE 27 HE1 PHE 27 -0.786 13.902 18.539 215 HZ PHE 27 HZ PHE 27 -2.813 14.043 17.116 216 H ARG 28 H ARG 28 -1.852 8.315 21.872 217 HA ARG 28 HA ARG 28 -0.336 6.156 22.667 218 HB2 ARG 28 HB2 ARG 28 -2.240 7.668 23.866 219 HB3 ARG 28 HB3 ARG 28 -3.117 6.150 23.673 220 HG2 ARG 28 HG2 ARG 28 -0.829 5.128 24.580 221 HG3 ARG 28 HG3 ARG 28 -0.672 6.734 25.291 222 HD2 ARG 28 HD2 ARG 28 -3.136 6.355 26.072 223 HD3 ARG 28 HD3 ARG 28 -2.788 4.653 25.780 224 HE ARG 28 HE ARG 28 -1.783 6.260 27.949 225 HH11 ARG 28 HH21 ARG 28 -1.174 3.574 25.852 226 HH12 ARG 28 HH22 ARG 28 -0.130 2.762 26.970 227 HH21 ARG 28 HH11 ARG 28 -0.415 5.200 29.418 228 HH22 ARG 28 HH12 ARG 28 0.300 3.683 28.987 229 H ASN 29 H ASN 29 -0.170 4.682 20.920 230 HA ASN 29 HA ASN 29 -2.290 2.681 20.915 231 HB2 ASN 29 HB2 ASN 29 -1.399 4.117 18.407 232 HB3 ASN 29 HB3 ASN 29 -2.324 2.615 18.411 233 HD21 ASN 29 HD21 ASN 29 -4.576 2.811 18.588 234 HD22 ASN 29 HD22 ASN 29 -5.382 4.248 19.000 235 H LEU 30 H LEU 30 -1.322 1.246 18.680 236 HA LEU 30 HA LEU 30 1.512 0.747 19.186 237 HB2 LEU 30 HB2 LEU 30 -0.260 -0.671 20.675 238 HB3 LEU 30 HB3 LEU 30 -0.136 -1.705 19.252 239 HG LEU 30 HG LEU 30 2.462 -1.236 19.564 240 HD11 LEU 30 HD11 LEU 30 1.503 0.162 21.721 241 HD12 LEU 30 HD12 LEU 30 3.135 -0.497 21.608 242 HD13 LEU 30 HD13 LEU 30 1.876 -1.399 22.451 243 HD21 LEU 30 HD21 LEU 30 0.985 -3.150 21.394 244 HD22 LEU 30 HD22 LEU 30 2.617 -3.339 20.752 245 HD23 LEU 30 HD23 LEU 30 1.226 -3.436 19.671 246 H LYS 31 H LYS 31 -1.272 0.665 17.223 247 HA LYS 31 HA LYS 31 -0.233 -1.124 15.208 248 HB2 LYS 31 HB2 LYS 31 -2.570 0.798 15.228 249 HB3 LYS 31 HB3 LYS 31 -2.178 -0.259 13.871 250 HG2 LYS 31 HG2 LYS 31 -2.510 -1.372 16.652 251 HG3 LYS 31 HG3 LYS 31 -3.906 -1.115 15.606 252 HD2 LYS 31 HD2 LYS 31 -2.649 -2.450 13.828 253 HD3 LYS 31 HD3 LYS 31 -1.521 -2.905 15.106 254 HE2 LYS 31 HE2 LYS 31 -2.938 -4.544 15.714 255 HE3 LYS 31 HE3 LYS 31 -4.118 -3.311 16.159 256 HZ1 LYS 31 HZ1 LYS 31 -4.501 -3.309 13.574 257 HZ2 LYS 31 HZ2 LYS 31 -5.289 -4.426 14.583 258 HZ3 LYS 31 HZ3 LYS 31 -3.910 -4.892 13.706 259 H LEU 32 H LEU 32 1.862 -0.031 14.992 260 HA LEU 32 HA LEU 32 2.155 2.610 14.065 261 HB2 LEU 32 HB2 LEU 32 3.979 0.280 13.442 262 HB3 LEU 32 HB3 LEU 32 4.406 1.991 13.486 263 HG LEU 32 HG LEU 32 3.164 0.882 15.948 264 HD11 LEU 32 HD11 LEU 32 5.517 0.115 16.649 265 HD12 LEU 32 HD12 LEU 32 5.895 0.093 14.926 266 HD13 LEU 32 HD13 LEU 32 4.624 -0.951 15.564 267 HD21 LEU 32 HD21 LEU 32 5.706 2.460 15.803 268 HD22 LEU 32 HD22 LEU 32 4.388 2.568 16.970 269 HD23 LEU 32 HD23 LEU 32 4.199 3.261 15.360 270 H ILE 33 H ILE 33 3.818 2.102 11.749 271 HA ILE 33 HA ILE 33 2.339 2.798 9.648 272 HB ILE 33 HB ILE 33 4.584 0.778 9.675 273 HG12 ILE 33 HG12 ILE 33 4.424 3.720 8.935 274 HG13 ILE 33 HG13 ILE 33 5.105 3.078 10.431 275 HG21 ILE 33 HG21 ILE 33 3.008 1.978 7.405 276 HG22 ILE 33 HG22 ILE 33 3.545 0.311 7.619 277 HG23 ILE 33 HG23 ILE 33 4.707 1.563 7.183 278 HD11 ILE 33 HD11 ILE 33 6.478 3.502 8.028 279 HD12 ILE 33 HD12 ILE 33 6.242 1.756 8.104 280 HD13 ILE 33 HD13 ILE 33 7.063 2.593 9.423 281 H LEU 34 H LEU 34 0.926 1.965 8.202 282 HA LEU 34 HA LEU 34 0.119 -0.854 8.551 283 HB2 LEU 34 HB2 LEU 34 -1.477 1.617 8.783 284 HB3 LEU 34 HB3 LEU 34 -2.207 0.349 7.801 285 HG LEU 34 HG LEU 34 -0.987 -0.493 10.384 286 HD11 LEU 34 HD11 LEU 34 -3.286 1.396 10.130 287 HD12 LEU 34 HD12 LEU 34 -2.075 1.264 11.406 288 HD13 LEU 34 HD13 LEU 34 -3.404 0.107 11.328 289 HD21 LEU 34 HD21 LEU 34 -3.741 -1.227 9.554 290 HD22 LEU 34 HD22 LEU 34 -2.434 -2.252 10.147 291 HD23 LEU 34 HD23 LEU 34 -2.451 -1.734 8.462 292 H GLN 35 H GLN 35 1.868 -0.572 6.694 293 HA GLN 35 HA GLN 35 0.836 0.290 4.145 294 HB2 GLN 35 HB2 GLN 35 2.911 -0.710 3.251 295 HB3 GLN 35 HB3 GLN 35 3.242 0.355 4.619 296 HG2 GLN 35 HG2 GLN 35 3.295 -1.615 6.123 297 HG3 GLN 35 HG3 GLN 35 3.011 -2.667 4.738 298 HE21 GLN 35 HE21 GLN 35 4.729 -1.311 2.846 299 HE22 GLN 35 HE22 GLN 35 6.332 -1.520 3.365 300 H GLY 36 H GLY 36 0.003 -0.923 2.511 301 HA2 GLY 36 HA2 GLY 36 0.094 -3.710 2.239 302 HA3 GLY 36 HA3 GLY 36 -1.380 -3.310 3.117 303 H CYS 37 H CYS 37 -2.082 -4.427 0.937 304 HA CYS 37 HA CYS 37 -2.383 -2.360 -1.152 305 HB2 CYS 37 HB2 CYS 37 -3.291 -5.095 -1.760 306 HB3 CYS 37 HB3 CYS 37 -2.302 -3.994 -2.718 307 H SER 38 H SER 38 -4.503 -2.447 -2.333 308 HA SER 38 HA SER 38 -6.814 -3.512 -1.047 309 HB2 SER 38 HB2 SER 38 -5.934 -1.384 0.328 310 HB3 SER 38 HB3 SER 38 -6.873 -0.543 -0.903 311 HG SER 38 HG SER 38 -8.494 -1.056 0.337 312 H SER 39 H SER 39 -8.330 -3.728 -2.561 313 HA SER 39 HA SER 39 -7.957 -2.799 -5.206 314 HB2 SER 39 HB2 SER 39 -10.044 -4.285 -3.727 315 HB3 SER 39 HB3 SER 39 -10.588 -3.431 -5.168 316 HG SER 39 HG SER 39 -9.864 -5.328 -5.936 317 H SER 40 H SER 40 -9.787 -1.554 -2.473 318 HA SER 40 HA SER 40 -10.517 0.796 -4.117 319 HB2 SER 40 HB2 SER 40 -12.053 -0.253 -1.735 320 HB3 SER 40 HB3 SER 40 -12.537 1.034 -2.834 321 HG SER 40 HG SER 40 -12.170 -0.809 -4.467 322 H CYS 41 H CYS 41 -8.064 0.799 -2.939 323 HA CYS 41 HA CYS 41 -7.765 1.627 -0.325 324 HB2 CYS 41 HB2 CYS 41 -5.853 1.254 -1.789 325 HB3 CYS 41 HB3 CYS 41 -6.306 2.644 -2.775 326 H SER 42 H SER 42 -8.344 3.367 0.829 327 HA SER 42 HA SER 42 -9.833 5.487 -0.518 328 HB2 SER 42 HB2 SER 42 -11.039 5.066 1.359 329 HB3 SER 42 HB3 SER 42 -9.655 4.406 2.224 330 HG SER 42 HG SER 42 -10.620 6.993 2.082 331 H GLU 43 H GLU 43 -8.196 6.651 -1.557 332 HA GLU 43 HA GLU 43 -5.760 7.485 -0.599 333 HB2 GLU 43 HB2 GLU 43 -7.734 9.005 -2.315 334 HB3 GLU 43 HB3 GLU 43 -6.058 9.497 -2.069 335 HG2 GLU 43 HG2 GLU 43 -5.282 7.344 -2.976 336 HG3 GLU 43 HG3 GLU 43 -6.953 6.835 -3.210 337 H THR 44 H THR 44 -5.189 8.542 1.187 338 HA THR 44 HA THR 44 -6.552 10.950 2.000 339 HB THR 44 HB THR 44 -6.459 9.060 4.257 340 HG1 THR 44 HG1 THR 44 -7.313 7.622 2.862 341 HG21 THR 44 HG21 THR 44 -8.764 10.739 3.285 342 HG22 THR 44 HG22 THR 44 -7.387 11.472 4.108 343 HG23 THR 44 HG23 THR 44 -8.368 10.263 4.937 344 H GLU 45 H GLU 45 -5.372 12.163 3.512 345 HA GLU 45 HA GLU 45 -2.648 12.181 3.359 346 HB2 GLU 45 HB2 GLU 45 -4.291 12.980 5.774 347 HB3 GLU 45 HB3 GLU 45 -2.642 13.505 5.431 348 HG2 GLU 45 HG2 GLU 45 -3.757 14.200 3.103 349 HG3 GLU 45 HG3 GLU 45 -5.197 14.301 4.114 350 H ASN 46 H ASN 46 -4.632 10.325 5.614 351 HA ASN 46 HA ASN 46 -2.382 9.320 7.109 352 HB2 ASN 46 HB2 ASN 46 -4.479 9.481 8.258 353 HB3 ASN 46 HB3 ASN 46 -5.303 8.554 7.007 354 HD21 ASN 46 HD21 ASN 46 -5.552 7.566 9.569 355 HD22 ASN 46 HD22 ASN 46 -4.585 6.185 9.773 356 H ASN 47 H ASN 47 -4.422 8.183 4.470 357 HA ASN 47 HA ASN 47 -2.533 5.947 4.067 358 HB2 ASN 47 HB2 ASN 47 -4.326 4.694 4.743 359 HB3 ASN 47 HB3 ASN 47 -5.498 5.927 4.288 360 HD21 ASN 47 HD21 ASN 47 -6.808 5.119 2.647 361 HD22 ASN 47 HD22 ASN 47 -6.264 4.180 1.341 362 H LYS 48 H LYS 48 -1.418 6.502 2.288 363 HA LYS 48 HA LYS 48 -2.810 7.875 0.089 364 HB2 LYS 48 HB2 LYS 48 0.146 7.301 0.348 365 HB3 LYS 48 HB3 LYS 48 -0.633 8.435 -0.754 366 HG2 LYS 48 HG2 LYS 48 -1.191 8.802 2.147 367 HG3 LYS 48 HG3 LYS 48 0.432 9.217 1.592 368 HD2 LYS 48 HD2 LYS 48 -2.015 10.195 0.124 369 HD3 LYS 48 HD3 LYS 48 -1.370 11.074 1.512 370 HE2 LYS 48 HE2 LYS 48 0.611 10.259 -0.543 371 HE3 LYS 48 HE3 LYS 48 -0.532 11.512 -1.027 372 HZ1 LYS 48 HZ1 LYS 48 0.065 12.561 1.217 373 HZ2 LYS 48 HZ2 LYS 48 1.186 12.691 -0.052 374 HZ3 LYS 48 HZ3 LYS 48 1.423 11.547 1.181 375 H CYS 49 H CYS 49 -3.228 6.921 -1.814 376 HA CYS 49 HA CYS 49 -2.443 4.096 -2.127 377 HB2 CYS 49 HB2 CYS 49 -4.484 5.477 -3.835 378 HB3 CYS 49 HB3 CYS 49 -4.374 3.775 -3.384 379 H CYS 50 H CYS 50 -1.118 3.467 -3.700 380 HA CYS 50 HA CYS 50 -0.334 5.452 -5.747 381 HB2 CYS 50 HB2 CYS 50 1.293 4.261 -3.886 382 HB3 CYS 50 HB3 CYS 50 1.488 3.192 -5.274 383 H SER 51 H SER 51 0.845 4.063 -7.626 384 HA SER 51 HA SER 51 -0.683 1.659 -8.268 385 HB2 SER 51 HB2 SER 51 -1.093 2.776 -10.609 386 HB3 SER 51 HB3 SER 51 -2.207 3.084 -9.280 387 HG SER 51 HG SER 51 -1.687 5.068 -9.993 388 H THR 52 H THR 52 2.151 2.542 -7.772 389 HA THR 52 HA THR 52 3.287 1.461 -10.277 390 HB THR 52 HB THR 52 4.944 3.295 -8.623 391 HG1 THR 52 HG1 THR 52 3.705 4.759 -10.419 392 HG21 THR 52 HG21 THR 52 5.412 1.984 -10.900 393 HG22 THR 52 HG22 THR 52 6.092 3.585 -10.604 394 HG23 THR 52 HG23 THR 52 4.641 3.413 -11.590 395 H ASP 53 H ASP 53 4.941 -0.018 -10.062 396 HA ASP 53 HA ASP 53 5.034 -1.539 -7.670 397 HB2 ASP 53 HB2 ASP 53 7.271 -2.318 -9.022 398 HB3 ASP 53 HB3 ASP 53 5.650 -2.927 -9.353 399 H ARG 54 H ARG 54 6.073 -1.075 -5.847 400 HA ARG 54 HA ARG 54 7.959 -0.596 -4.530 401 HB2 ARG 54 HB2 ARG 54 9.216 -0.688 -6.857 402 HB3 ARG 54 HB3 ARG 54 9.180 1.066 -6.696 403 HG2 ARG 54 HG2 ARG 54 11.200 0.474 -5.639 404 HG3 ARG 54 HG3 ARG 54 10.075 0.660 -4.295 405 HD2 ARG 54 HD2 ARG 54 10.338 -1.494 -3.702 406 HD3 ARG 54 HD3 ARG 54 9.950 -2.038 -5.330 407 HE ARG 54 HE ARG 54 12.270 -2.007 -5.855 408 HH11 ARG 54 HH21 ARG 54 11.535 -1.033 -2.614 409 HH12 ARG 54 HH22 ARG 54 13.161 -1.213 -2.046 410 HH21 ARG 54 HH11 ARG 54 14.404 -2.241 -5.114 411 HH22 ARG 54 HH12 ARG 54 14.784 -1.897 -3.460 412 H CYS 55 H CYS 55 5.479 1.011 -5.310 413 HA CYS 55 HA CYS 55 6.131 3.773 -5.075 414 HB2 CYS 55 HB2 CYS 55 3.742 2.160 -5.313 415 HB3 CYS 55 HB3 CYS 55 3.522 3.422 -4.100 416 H ASN 56 H ASN 56 4.881 1.398 -2.732 417 HA ASN 56 HA ASN 56 5.223 3.279 -0.540 418 HB2 ASN 56 HB2 ASN 56 4.660 0.708 0.469 419 HB3 ASN 56 HB3 ASN 56 3.538 2.054 0.277 420 HD21 ASN 56 HD21 ASN 56 3.338 2.218 -2.527 421 HD22 ASN 56 HD22 ASN 56 2.663 0.780 -3.127 422 H LYS 57 H LYS 57 6.354 2.483 1.470 423 HA LYS 57 HA LYS 57 8.840 1.049 0.746 424 HB2 LYS 57 HB2 LYS 57 9.200 3.479 1.112 425 HB3 LYS 57 HB3 LYS 57 8.543 3.309 2.740 426 HG2 LYS 57 HG2 LYS 57 10.401 2.210 3.525 427 HG3 LYS 57 HG3 LYS 57 10.728 1.436 1.975 428 HD2 LYS 57 HD2 LYS 57 11.545 3.570 1.063 429 HD3 LYS 57 HD3 LYS 57 11.193 4.367 2.597 430 HE2 LYS 57 HE2 LYS 57 12.794 2.899 3.748 431 HE3 LYS 57 HE3 LYS 57 13.132 2.065 2.231 432 HZ1 LYS 57 HZ1 LYS 57 13.443 4.755 1.708 433 HZ2 LYS 57 HZ2 LYS 57 14.673 3.590 1.851 434 HZ3 LYS 57 HZ3 LYS 57 14.200 4.503 3.205 Start of MODEL 9 1 H1 LEU 1 H1 LEU 1 0.984 -7.286 -10.584 2 H2 LEU 1 H2 LEU 1 1.911 -6.383 -11.685 3 H3 LEU 1 H3 LEU 1 0.246 -6.087 -11.530 4 HA LEU 1 HA LEU 1 2.092 -4.611 -10.335 5 HB2 LEU 1 HB2 LEU 1 0.296 -3.875 -8.837 6 HB3 LEU 1 HB3 LEU 1 -0.352 -4.187 -10.448 7 HG LEU 1 HG LEU 1 -0.389 -6.610 -8.861 8 HD11 LEU 1 HD11 LEU 1 -2.239 -5.756 -7.316 9 HD12 LEU 1 HD12 LEU 1 -1.667 -4.130 -7.694 10 HD13 LEU 1 HD13 LEU 1 -0.595 -5.278 -6.891 11 HD21 LEU 1 HD21 LEU 1 -2.590 -6.756 -9.706 12 HD22 LEU 1 HD22 LEU 1 -1.735 -5.843 -10.949 13 HD23 LEU 1 HD23 LEU 1 -2.767 -5.003 -9.791 14 H LYS 2 H LYS 2 2.480 -4.272 -7.937 15 HA LYS 2 HA LYS 2 2.393 -6.406 -6.090 16 HB2 LYS 2 HB2 LYS 2 4.637 -7.197 -6.109 17 HB3 LYS 2 HB3 LYS 2 4.081 -7.284 -7.779 18 HG2 LYS 2 HG2 LYS 2 5.081 -4.707 -7.582 19 HG3 LYS 2 HG3 LYS 2 6.211 -5.647 -6.607 20 HD2 LYS 2 HD2 LYS 2 5.357 -6.503 -9.382 21 HD3 LYS 2 HD3 LYS 2 6.766 -5.481 -9.094 22 HE2 LYS 2 HE2 LYS 2 7.980 -7.182 -8.148 23 HE3 LYS 2 HE3 LYS 2 6.555 -7.947 -7.444 24 HZ1 LYS 2 HZ1 LYS 2 7.369 -8.010 -10.298 25 HZ2 LYS 2 HZ2 LYS 2 5.918 -8.654 -9.695 26 HZ3 LYS 2 HZ3 LYS 2 7.407 -9.308 -9.207 27 H CYS 3 H CYS 3 3.688 -5.912 -4.124 28 HA CYS 3 HA CYS 3 5.007 -3.394 -3.856 29 HB2 CYS 3 HB2 CYS 3 2.108 -3.586 -3.138 30 HB3 CYS 3 HB3 CYS 3 3.178 -2.573 -2.167 31 H TYR 4 H TYR 4 4.843 -2.830 -1.273 32 HA TYR 4 HA TYR 4 6.017 -5.172 -0.016 33 HB2 TYR 4 HB2 TYR 4 5.856 -2.254 0.691 34 HB3 TYR 4 HB3 TYR 4 6.387 -3.449 1.872 35 HD1 TYR 4 HD1 TYR 4 8.284 -5.046 1.197 36 HD2 TYR 4 HD2 TYR 4 7.351 -1.445 -0.949 37 HE1 TYR 4 HE1 TYR 4 10.534 -5.080 0.162 38 HE2 TYR 4 HE2 TYR 4 9.604 -1.478 -1.982 39 HH TYR 4 HH TYR 4 11.991 -2.598 -1.152 40 H GLN 5 H GLN 5 4.327 -6.516 0.437 41 HA GLN 5 HA GLN 5 2.055 -5.529 1.984 42 HB2 GLN 5 HB2 GLN 5 2.074 -7.350 0.069 43 HB3 GLN 5 HB3 GLN 5 2.475 -8.430 1.405 44 HG2 GLN 5 HG2 GLN 5 0.497 -7.560 2.652 45 HG3 GLN 5 HG3 GLN 5 0.068 -6.598 1.238 46 HE21 GLN 5 HE21 GLN 5 -1.727 -8.578 2.185 47 HE22 GLN 5 HE22 GLN 5 -1.786 -9.847 1.059 48 H HIS 6 H HIS 6 4.720 -7.860 2.357 49 HA HIS 6 HA HIS 6 4.310 -7.708 5.286 50 HB2 HIS 6 HB2 HIS 6 4.733 -10.032 3.488 51 HB3 HIS 6 HB3 HIS 6 5.600 -10.058 5.023 52 HD1 HIS 6 HD1 HIS 6 2.668 -11.397 3.798 53 HD2 HIS 6 HD2 HIS 6 3.412 -8.970 7.105 54 HE1 HIS 6 HE1 HIS 6 0.712 -11.716 5.376 55 H GLY 7 H GLY 7 5.866 -5.796 4.242 56 HA2 GLY 7 HA2 GLY 7 7.937 -4.844 4.655 57 HA3 GLY 7 HA3 GLY 7 8.443 -6.362 5.392 58 H LYS 8 H LYS 8 7.276 -7.441 2.630 59 HA LYS 8 HA LYS 8 9.719 -6.903 1.059 60 HB2 LYS 8 HB2 LYS 8 8.489 -9.580 0.786 61 HB3 LYS 8 HB3 LYS 8 10.189 -9.107 0.788 62 HG2 LYS 8 HG2 LYS 8 9.815 -8.583 3.306 63 HG3 LYS 8 HG3 LYS 8 8.362 -9.568 3.142 64 HD2 LYS 8 HD2 LYS 8 9.543 -11.515 2.907 65 HD3 LYS 8 HD3 LYS 8 10.861 -10.737 2.031 66 HE2 LYS 8 HE2 LYS 8 11.639 -11.466 4.240 67 HE3 LYS 8 HE3 LYS 8 11.637 -9.705 4.149 68 HZ1 LYS 8 HZ1 LYS 8 9.709 -9.567 5.423 69 HZ2 LYS 8 HZ2 LYS 8 10.620 -10.772 6.200 70 HZ3 LYS 8 HZ3 LYS 8 9.315 -11.201 5.198 71 H VAL 9 H VAL 9 9.479 -7.037 -1.213 72 HA VAL 9 HA VAL 9 6.953 -6.112 -2.169 73 HB VAL 9 HB VAL 9 9.373 -7.033 -3.735 74 HG11 VAL 9 HG11 VAL 9 7.428 -6.926 -5.161 75 HG12 VAL 9 HG12 VAL 9 8.373 -5.466 -5.453 76 HG13 VAL 9 HG13 VAL 9 6.925 -5.395 -4.448 77 HG21 VAL 9 HG21 VAL 9 10.165 -5.258 -2.423 78 HG22 VAL 9 HG22 VAL 9 8.600 -4.442 -2.411 79 HG23 VAL 9 HG23 VAL 9 9.595 -4.423 -3.868 80 H VAL 10 H VAL 10 5.286 -7.519 -2.153 81 HA VAL 10 HA VAL 10 5.648 -10.048 -3.639 82 HB VAL 10 HB VAL 10 3.840 -10.936 -2.005 83 HG11 VAL 10 HG11 VAL 10 6.763 -10.501 -1.461 84 HG12 VAL 10 HG12 VAL 10 5.917 -11.994 -1.867 85 HG13 VAL 10 HG13 VAL 10 5.765 -11.306 -0.250 86 HG21 VAL 10 HG21 VAL 10 5.018 -9.210 0.073 87 HG22 VAL 10 HG22 VAL 10 3.346 -9.728 -0.142 88 HG23 VAL 10 HG23 VAL 10 3.967 -8.355 -1.057 89 H THR 11 H THR 11 3.946 -10.663 -4.948 90 HA THR 11 HA THR 11 2.237 -8.595 -5.897 91 HB THR 11 HB THR 11 2.155 -11.579 -6.402 92 HG1 THR 11 HG1 THR 11 3.087 -10.646 -8.450 93 HG21 THR 11 HG21 THR 11 0.020 -10.442 -6.918 94 HG22 THR 11 HG22 THR 11 0.838 -10.972 -8.387 95 HG23 THR 11 HG23 THR 11 0.890 -9.275 -7.911 96 H CYS 12 H CYS 12 0.538 -7.845 -4.808 97 HA CYS 12 HA CYS 12 -0.761 -9.220 -2.702 98 HB2 CYS 12 HB2 CYS 12 -2.003 -6.992 -4.307 99 HB3 CYS 12 HB3 CYS 12 -2.222 -7.366 -2.597 100 H HIS 13 H HIS 13 -3.376 -9.205 -2.923 101 HA HIS 13 HA HIS 13 -3.963 -11.434 -4.587 102 HB2 HIS 13 HB2 HIS 13 -5.117 -10.495 -2.377 103 HB3 HIS 13 HB3 HIS 13 -6.171 -9.718 -3.557 104 HD1 HIS 13 HD1 HIS 13 -8.016 -11.140 -4.461 105 HD2 HIS 13 HD2 HIS 13 -4.920 -13.451 -2.894 106 HE1 HIS 13 HE1 HIS 13 -8.780 -13.552 -4.599 107 H ARG 14 H ARG 14 -5.659 -11.489 -6.241 108 HA ARG 14 HA ARG 14 -5.150 -9.684 -8.344 109 HB2 ARG 14 HB2 ARG 14 -7.494 -11.556 -7.935 110 HB3 ARG 14 HB3 ARG 14 -7.079 -10.765 -9.456 111 HG2 ARG 14 HG2 ARG 14 -5.449 -12.264 -9.896 112 HG3 ARG 14 HG3 ARG 14 -4.783 -12.119 -8.270 113 HD2 ARG 14 HD2 ARG 14 -6.406 -13.684 -7.396 114 HD3 ARG 14 HD3 ARG 14 -7.267 -13.719 -8.933 115 HE ARG 14 HE ARG 14 -5.679 -15.219 -9.724 116 HH11 ARG 14 HH21 ARG 14 -4.569 -13.609 -6.870 117 HH12 ARG 14 HH22 ARG 14 -3.150 -14.588 -6.702 118 HH21 ARG 14 HH11 ARG 14 -3.820 -16.508 -9.511 119 HH22 ARG 14 HH12 ARG 14 -2.726 -16.229 -8.197 120 H ASP 15 H ASP 15 -7.529 -9.701 -5.784 121 HA ASP 15 HA ASP 15 -9.346 -7.827 -6.856 122 HB2 ASP 15 HB2 ASP 15 -8.639 -8.288 -3.949 123 HB3 ASP 15 HB3 ASP 15 -10.110 -7.534 -4.561 124 H MET 16 H MET 16 -6.542 -7.401 -4.701 125 HA MET 16 HA MET 16 -6.760 -4.551 -4.634 126 HB2 MET 16 HB2 MET 16 -4.553 -6.466 -3.865 127 HB3 MET 16 HB3 MET 16 -4.452 -4.723 -3.630 128 HG2 MET 16 HG2 MET 16 -5.368 -5.254 -1.596 129 HG3 MET 16 HG3 MET 16 -6.868 -5.165 -2.520 130 HE1 MET 16 HE1 MET 16 -6.695 -8.076 0.201 131 HE2 MET 16 HE2 MET 16 -8.009 -7.114 -0.471 132 HE3 MET 16 HE3 MET 16 -6.520 -6.323 0.042 133 H LYS 17 H LYS 17 -6.014 -3.095 -6.042 134 HA LYS 17 HA LYS 17 -4.005 -3.956 -8.033 135 HB2 LYS 17 HB2 LYS 17 -6.574 -2.438 -8.448 136 HB3 LYS 17 HB3 LYS 17 -5.235 -2.311 -9.589 137 HG2 LYS 17 HG2 LYS 17 -5.249 -4.763 -9.883 138 HG3 LYS 17 HG3 LYS 17 -6.591 -4.890 -8.745 139 HD2 LYS 17 HD2 LYS 17 -7.835 -4.788 -10.668 140 HD3 LYS 17 HD3 LYS 17 -7.621 -3.053 -10.434 141 HE2 LYS 17 HE2 LYS 17 -5.424 -3.372 -11.795 142 HE3 LYS 17 HE3 LYS 17 -6.152 -4.894 -12.312 143 HZ1 LYS 17 HZ1 LYS 17 -8.000 -3.747 -13.214 144 HZ2 LYS 17 HZ2 LYS 17 -6.611 -2.952 -13.784 145 HZ3 LYS 17 HZ3 LYS 17 -7.523 -2.274 -12.523 146 H PHE 18 H PHE 18 -4.530 -2.041 -5.462 147 HA PHE 18 HA PHE 18 -2.606 -0.023 -6.421 148 HB2 PHE 18 HB2 PHE 18 -5.082 0.597 -4.794 149 HB3 PHE 18 HB3 PHE 18 -3.843 1.751 -5.285 150 HD1 PHE 18 HD1 PHE 18 -6.229 -0.763 -6.703 151 HD2 PHE 18 HD2 PHE 18 -4.045 2.882 -7.330 152 HE1 PHE 18 HE1 PHE 18 -7.391 -0.439 -8.871 153 HE2 PHE 18 HE2 PHE 18 -5.206 3.205 -9.497 154 HZ PHE 18 HZ PHE 18 -6.879 1.544 -10.267 155 H CYS 19 H CYS 19 -1.156 0.696 -4.907 156 HA CYS 19 HA CYS 19 -1.068 -0.849 -2.407 157 HB2 CYS 19 HB2 CYS 19 1.119 0.885 -3.563 158 HB3 CYS 19 HB3 CYS 19 1.268 -0.385 -2.348 159 H TYR 20 H TYR 20 -1.263 0.136 -0.437 160 HA TYR 20 HA TYR 20 -1.516 3.079 -0.497 161 HB2 TYR 20 HB2 TYR 20 -3.223 2.971 1.151 162 HB3 TYR 20 HB3 TYR 20 -3.637 1.765 -0.063 163 HD1 TYR 20 HD2 TYR 20 -3.164 -0.660 0.368 164 HD2 TYR 20 HD1 TYR 20 -2.669 2.348 3.394 165 HE1 TYR 20 HE2 TYR 20 -3.148 -2.420 2.117 166 HE2 TYR 20 HE1 TYR 20 -2.654 0.589 5.142 167 HH TYR 20 HH TYR 20 -2.322 -2.720 4.413 168 H HIS 21 H HIS 21 -0.700 4.263 1.184 169 HA HIS 21 HA HIS 21 1.142 2.831 3.001 170 HB2 HIS 21 HB2 HIS 21 2.150 4.268 1.098 171 HB3 HIS 21 HB3 HIS 21 1.594 5.649 2.045 172 HD1 HIS 21 HD1 HIS 21 4.569 5.420 1.791 173 HD2 HIS 21 HD2 HIS 21 2.468 3.453 4.807 174 HE1 HIS 21 HE1 HIS 21 6.236 4.954 3.640 175 H ASN 22 H ASN 22 -0.519 2.773 4.602 176 HA ASN 22 HA ASN 22 -1.663 5.265 5.538 177 HB2 ASN 22 HB2 ASN 22 -2.965 3.164 5.577 178 HB3 ASN 22 HB3 ASN 22 -1.811 2.482 6.721 179 HD21 ASN 22 HD21 ASN 22 -2.189 5.824 7.265 180 HD22 ASN 22 HD22 ASN 22 -3.308 5.730 8.539 181 H THR 23 H THR 23 -0.837 6.540 7.063 182 HA THR 23 HA THR 23 1.336 5.459 8.757 183 HB THR 23 HB THR 23 2.092 7.895 8.852 184 HG1 THR 23 HG1 THR 23 0.644 8.136 6.457 185 HG21 THR 23 HG21 THR 23 3.364 7.676 6.826 186 HG22 THR 23 HG22 THR 23 2.145 6.626 6.106 187 HG23 THR 23 HG23 THR 23 3.121 6.047 7.456 188 H GLY 24 H GLY 24 -1.810 6.512 8.767 189 HA2 GLY 24 HA2 GLY 24 -1.839 8.073 11.173 190 HA3 GLY 24 HA3 GLY 24 -3.238 7.360 10.376 191 H MET 25 H MET 25 -3.845 6.976 12.688 192 HA MET 25 HA MET 25 -3.920 5.684 14.616 193 HB2 MET 25 HB2 MET 25 -3.854 3.753 12.305 194 HB3 MET 25 HB3 MET 25 -4.049 3.192 13.966 195 HG2 MET 25 HG2 MET 25 -6.176 3.980 14.114 196 HG3 MET 25 HG3 MET 25 -5.788 5.461 13.239 197 HE1 MET 25 HE1 MET 25 -8.701 3.139 12.220 198 HE2 MET 25 HE2 MET 25 -8.571 4.682 11.381 199 HE3 MET 25 HE3 MET 25 -8.185 4.586 13.098 200 HA PRO 26 HA PRO 26 0.694 4.871 14.647 201 HB2 PRO 26 HB2 PRO 26 1.232 6.577 16.736 202 HB3 PRO 26 HB3 PRO 26 1.292 7.054 15.030 203 HG2 PRO 26 HG2 PRO 26 -0.825 7.534 17.055 204 HG3 PRO 26 HG3 PRO 26 -0.256 8.577 15.742 205 HD2 PRO 26 HD2 PRO 26 -2.582 7.125 15.607 206 HD3 PRO 26 HD3 PRO 26 -1.632 7.584 14.176 207 H PHE 27 H PHE 27 -1.978 4.241 16.434 208 HA PHE 27 HA PHE 27 -2.446 3.080 18.377 209 HB2 PHE 27 HB2 PHE 27 -0.948 1.556 16.614 210 HB3 PHE 27 HB3 PHE 27 -0.114 1.334 18.153 211 HD1 PHE 27 HD2 PHE 27 -2.066 1.330 20.195 212 HD2 PHE 27 HD1 PHE 27 -2.441 -0.180 16.191 213 HE1 PHE 27 HE2 PHE 27 -3.859 -0.211 20.945 214 HE2 PHE 27 HE1 PHE 27 -4.233 -1.722 16.941 215 HZ PHE 27 HZ PHE 27 -4.942 -1.738 19.318 216 H ARG 28 H ARG 28 -2.119 4.394 20.115 217 HA ARG 28 HA ARG 28 -1.084 5.336 21.942 218 HB2 ARG 28 HB2 ARG 28 0.442 2.729 21.755 219 HB3 ARG 28 HB3 ARG 28 0.462 3.806 23.152 220 HG2 ARG 28 HG2 ARG 28 -2.194 2.949 22.077 221 HG3 ARG 28 HG3 ARG 28 -1.260 1.780 23.011 222 HD2 ARG 28 HD2 ARG 28 -1.202 3.202 24.922 223 HD3 ARG 28 HD3 ARG 28 -1.768 4.590 23.997 224 HE ARG 28 HE ARG 28 -3.668 2.445 23.955 225 HH11 ARG 28 HH21 ARG 28 -2.371 5.038 25.843 226 HH12 ARG 28 HH22 ARG 28 -3.815 5.271 26.769 227 HH21 ARG 28 HH11 ARG 28 -5.567 2.745 25.165 228 HH22 ARG 28 HH12 ARG 28 -5.626 3.972 26.385 229 H ASN 29 H ASN 29 1.767 3.607 20.747 230 HA ASN 29 HA ASN 29 2.988 6.130 19.888 231 HB2 ASN 29 HB2 ASN 29 5.054 5.557 21.221 232 HB3 ASN 29 HB3 ASN 29 3.667 6.068 22.183 233 HD21 ASN 29 HD21 ASN 29 3.281 2.919 20.843 234 HD22 ASN 29 HD22 ASN 29 3.675 2.039 22.240 235 H LEU 30 H LEU 30 5.538 5.309 19.459 236 HA LEU 30 HA LEU 30 6.915 3.962 18.174 237 HB2 LEU 30 HB2 LEU 30 5.129 2.129 19.169 238 HB3 LEU 30 HB3 LEU 30 4.895 1.964 17.428 239 HG LEU 30 HG LEU 30 7.488 1.921 17.299 240 HD11 LEU 30 HD11 LEU 30 6.957 1.466 20.239 241 HD12 LEU 30 HD12 LEU 30 8.109 2.575 19.495 242 HD13 LEU 30 HD13 LEU 30 8.404 0.836 19.451 243 HD21 LEU 30 HD21 LEU 30 5.623 -0.225 18.238 244 HD22 LEU 30 HD22 LEU 30 7.349 -0.585 18.199 245 HD23 LEU 30 HD23 LEU 30 6.515 -0.102 16.721 246 H LYS 31 H LYS 31 7.199 3.439 15.889 247 HA LYS 31 HA LYS 31 5.405 5.063 14.220 248 HB2 LYS 31 HB2 LYS 31 7.352 4.607 12.524 249 HB3 LYS 31 HB3 LYS 31 7.580 5.783 13.819 250 HG2 LYS 31 HG2 LYS 31 8.635 3.998 15.206 251 HG3 LYS 31 HG3 LYS 31 8.488 2.890 13.841 252 HD2 LYS 31 HD2 LYS 31 9.783 5.513 13.290 253 HD3 LYS 31 HD3 LYS 31 10.700 4.371 14.271 254 HE2 LYS 31 HE2 LYS 31 10.408 2.638 12.540 255 HE3 LYS 31 HE3 LYS 31 9.485 3.775 11.557 256 HZ1 LYS 31 HZ1 LYS 31 11.487 4.209 10.676 257 HZ2 LYS 31 HZ2 LYS 31 12.342 3.619 12.021 258 HZ3 LYS 31 HZ3 LYS 31 11.692 5.189 12.045 259 H LEU 32 H LEU 32 4.113 2.847 14.842 260 HA LEU 32 HA LEU 32 4.533 0.484 13.470 261 HB2 LEU 32 HB2 LEU 32 2.151 1.903 14.528 262 HB3 LEU 32 HB3 LEU 32 1.847 0.621 13.355 263 HG LEU 32 HG LEU 32 3.704 0.190 15.694 264 HD11 LEU 32 HD11 LEU 32 1.827 -0.737 16.949 265 HD12 LEU 32 HD12 LEU 32 0.722 -0.366 15.626 266 HD13 LEU 32 HD13 LEU 32 1.475 0.942 16.538 267 HD21 LEU 32 HD21 LEU 32 2.732 -2.190 15.253 268 HD22 LEU 32 HD22 LEU 32 3.919 -1.547 14.119 269 HD23 LEU 32 HD23 LEU 32 2.204 -1.516 13.711 270 H ILE 33 H ILE 33 4.615 -0.053 11.389 271 HA ILE 33 HA ILE 33 3.774 1.908 9.379 272 HB ILE 33 HB ILE 33 6.040 0.906 9.228 273 HG12 ILE 33 HG12 ILE 33 5.760 0.071 6.827 274 HG13 ILE 33 HG13 ILE 33 4.024 0.277 7.061 275 HG21 ILE 33 HG21 ILE 33 6.393 -1.390 8.976 276 HG22 ILE 33 HG22 ILE 33 4.743 -1.685 8.430 277 HG23 ILE 33 HG23 ILE 33 5.063 -1.360 10.133 278 HD11 ILE 33 HD11 ILE 33 5.614 2.605 7.907 279 HD12 ILE 33 HD12 ILE 33 4.154 2.538 6.918 280 HD13 ILE 33 HD13 ILE 33 5.732 2.250 6.183 281 H LEU 34 H LEU 34 1.953 1.681 8.232 282 HA LEU 34 HA LEU 34 0.602 -0.951 8.296 283 HB2 LEU 34 HB2 LEU 34 -0.453 1.845 8.528 284 HB3 LEU 34 HB3 LEU 34 -1.475 0.587 7.829 285 HG LEU 34 HG LEU 34 -1.019 -0.821 9.862 286 HD11 LEU 34 HD11 LEU 34 0.908 -0.082 10.890 287 HD12 LEU 34 HD12 LEU 34 -0.273 0.821 11.839 288 HD13 LEU 34 HD13 LEU 34 0.585 1.610 10.516 289 HD21 LEU 34 HD21 LEU 34 -2.441 0.610 11.398 290 HD22 LEU 34 HD22 LEU 34 -3.097 0.404 9.774 291 HD23 LEU 34 HD23 LEU 34 -2.291 1.909 10.215 292 H GLN 35 H GLN 35 2.374 -0.814 6.356 293 HA GLN 35 HA GLN 35 1.181 0.307 3.939 294 HB2 GLN 35 HB2 GLN 35 3.789 -0.098 4.768 295 HB3 GLN 35 HB3 GLN 35 3.528 -1.395 3.604 296 HG2 GLN 35 HG2 GLN 35 2.685 0.276 1.968 297 HG3 GLN 35 HG3 GLN 35 3.034 1.556 3.127 298 HE21 GLN 35 HE21 GLN 35 4.783 2.588 2.045 299 HE22 GLN 35 HE22 GLN 35 6.239 1.800 1.669 300 H GLY 36 H GLY 36 0.260 -0.871 2.323 301 HA2 GLY 36 HA2 GLY 36 0.526 -3.668 1.975 302 HA3 GLY 36 HA3 GLY 36 -0.954 -3.327 2.866 303 H CYS 37 H CYS 37 -1.902 -4.336 0.873 304 HA CYS 37 HA CYS 37 -2.173 -2.335 -1.284 305 HB2 CYS 37 HB2 CYS 37 -3.070 -5.057 -1.885 306 HB3 CYS 37 HB3 CYS 37 -2.051 -3.972 -2.829 307 H SER 38 H SER 38 -4.271 -2.318 -2.384 308 HA SER 38 HA SER 38 -6.590 -3.447 -1.171 309 HB2 SER 38 HB2 SER 38 -5.923 -1.636 0.494 310 HB3 SER 38 HB3 SER 38 -6.305 -0.469 -0.766 311 HG SER 38 HG SER 38 -8.216 -2.404 -0.413 312 H SER 39 H SER 39 -8.457 -3.065 -2.387 313 HA SER 39 HA SER 39 -7.962 -2.232 -5.106 314 HB2 SER 39 HB2 SER 39 -9.825 -3.905 -3.772 315 HB3 SER 39 HB3 SER 39 -10.748 -2.647 -4.589 316 HG SER 39 HG SER 39 -10.067 -4.645 -5.800 317 H SER 40 H SER 40 -10.140 -1.140 -2.495 318 HA SER 40 HA SER 40 -10.551 1.372 -3.984 319 HB2 SER 40 HB2 SER 40 -12.442 -0.214 -2.949 320 HB3 SER 40 HB3 SER 40 -12.110 0.766 -1.524 321 HG SER 40 HG SER 40 -12.977 2.432 -2.484 322 H CYS 41 H CYS 41 -8.076 1.136 -2.802 323 HA CYS 41 HA CYS 41 -7.688 1.921 -0.202 324 HB2 CYS 41 HB2 CYS 41 -5.799 1.485 -1.631 325 HB3 CYS 41 HB3 CYS 41 -6.226 2.832 -2.687 326 H SER 42 H SER 42 -8.524 3.525 0.956 327 HA SER 42 HA SER 42 -9.794 5.788 -0.301 328 HB2 SER 42 HB2 SER 42 -10.029 4.477 2.161 329 HB3 SER 42 HB3 SER 42 -9.397 6.072 2.557 330 HG SER 42 HG SER 42 -11.577 6.307 2.435 331 H GLU 43 H GLU 43 -8.135 6.905 -1.364 332 HA GLU 43 HA GLU 43 -5.677 7.664 -0.261 333 HB2 GLU 43 HB2 GLU 43 -6.430 7.854 -2.688 334 HB3 GLU 43 HB3 GLU 43 -7.258 9.338 -2.214 335 HG2 GLU 43 HG2 GLU 43 -4.824 9.778 -1.102 336 HG3 GLU 43 HG3 GLU 43 -4.356 8.795 -2.489 337 H THR 44 H THR 44 -5.039 9.260 1.084 338 HA THR 44 HA THR 44 -6.706 11.548 1.657 339 HB THR 44 HB THR 44 -6.285 10.576 4.243 340 HG1 THR 44 HG1 THR 44 -6.938 8.569 2.401 341 HG21 THR 44 HG21 THR 44 -8.211 11.885 3.494 342 HG22 THR 44 HG22 THR 44 -8.764 10.394 4.256 343 HG23 THR 44 HG23 THR 44 -8.764 10.537 2.499 344 H GLU 45 H GLU 45 -5.576 12.251 4.111 345 HA GLU 45 HA GLU 45 -2.920 13.041 3.238 346 HB2 GLU 45 HB2 GLU 45 -4.899 14.207 4.824 347 HB3 GLU 45 HB3 GLU 45 -3.616 13.787 5.960 348 HG2 GLU 45 HG2 GLU 45 -1.987 14.866 4.326 349 HG3 GLU 45 HG3 GLU 45 -3.395 15.494 3.472 350 H ASN 46 H ASN 46 -4.393 10.832 5.497 351 HA ASN 46 HA ASN 46 -1.752 10.151 6.613 352 HB2 ASN 46 HB2 ASN 46 -4.152 10.565 7.883 353 HB3 ASN 46 HB3 ASN 46 -4.113 8.810 7.728 354 HD21 ASN 46 HD21 ASN 46 -3.834 10.175 10.273 355 HD22 ASN 46 HD22 ASN 46 -2.270 9.861 10.851 356 H ASN 47 H ASN 47 -4.302 9.046 4.573 357 HA ASN 47 HA ASN 47 -2.884 6.480 4.206 358 HB2 ASN 47 HB2 ASN 47 -4.845 5.790 5.302 359 HB3 ASN 47 HB3 ASN 47 -5.834 7.000 4.486 360 HD21 ASN 47 HD21 ASN 47 -3.499 5.259 2.549 361 HD22 ASN 47 HD22 ASN 47 -4.617 4.261 1.753 362 H LYS 48 H LYS 48 -1.892 6.750 2.292 363 HA LYS 48 HA LYS 48 -3.347 8.116 0.125 364 HB2 LYS 48 HB2 LYS 48 -0.440 7.291 0.220 365 HB3 LYS 48 HB3 LYS 48 -1.205 8.351 -0.964 366 HG2 LYS 48 HG2 LYS 48 -1.920 9.698 1.214 367 HG3 LYS 48 HG3 LYS 48 -0.501 8.896 1.891 368 HD2 LYS 48 HD2 LYS 48 -0.424 10.398 -0.734 369 HD3 LYS 48 HD3 LYS 48 -0.072 11.168 0.815 370 HE2 LYS 48 HE2 LYS 48 1.682 9.433 1.227 371 HE3 LYS 48 HE3 LYS 48 1.384 8.796 -0.391 372 HZ1 LYS 48 HZ1 LYS 48 1.981 11.653 -0.025 373 HZ2 LYS 48 HZ2 LYS 48 2.236 10.668 -1.385 374 HZ3 LYS 48 HZ3 LYS 48 3.246 10.524 -0.027 375 H CYS 49 H CYS 49 -2.380 7.150 -2.119 376 HA CYS 49 HA CYS 49 -2.486 4.232 -2.143 377 HB2 CYS 49 HB2 CYS 49 -4.456 5.741 -3.847 378 HB3 CYS 49 HB3 CYS 49 -4.432 4.023 -3.442 379 H CYS 50 H CYS 50 -1.098 3.499 -3.601 380 HA CYS 50 HA CYS 50 -0.283 5.280 -5.820 381 HB2 CYS 50 HB2 CYS 50 1.348 4.331 -3.868 382 HB3 CYS 50 HB3 CYS 50 1.482 3.028 -5.045 383 H SER 51 H SER 51 0.902 3.695 -7.537 384 HA SER 51 HA SER 51 -0.368 1.162 -7.949 385 HB2 SER 51 HB2 SER 51 -1.482 1.926 -10.127 386 HB3 SER 51 HB3 SER 51 -2.298 2.353 -8.626 387 HG SER 51 HG SER 51 -1.257 4.401 -8.769 388 H THR 52 H THR 52 2.270 2.566 -7.957 389 HA THR 52 HA THR 52 3.117 1.941 -10.720 390 HB THR 52 HB THR 52 4.678 3.542 -8.693 391 HG1 THR 52 HG1 THR 52 3.797 5.356 -9.759 392 HG21 THR 52 HG21 THR 52 5.222 4.429 -11.257 393 HG22 THR 52 HG22 THR 52 5.023 2.691 -11.476 394 HG23 THR 52 HG23 THR 52 6.217 3.304 -10.333 395 H ASP 53 H ASP 53 2.691 0.051 -8.450 396 HA ASP 53 HA ASP 53 3.724 -1.763 -7.481 397 HB2 ASP 53 HB2 ASP 53 5.845 -1.418 -9.601 398 HB3 ASP 53 HB3 ASP 53 5.325 -2.907 -8.816 399 H ARG 54 H ARG 54 5.482 -2.396 -6.120 400 HA ARG 54 HA ARG 54 6.766 -1.643 -4.296 401 HB2 ARG 54 HB2 ARG 54 9.032 -1.708 -4.947 402 HB3 ARG 54 HB3 ARG 54 8.205 -2.660 -6.178 403 HG2 ARG 54 HG2 ARG 54 8.025 -0.330 -7.416 404 HG3 ARG 54 HG3 ARG 54 9.400 0.081 -6.391 405 HD2 ARG 54 HD2 ARG 54 9.323 -2.434 -8.066 406 HD3 ARG 54 HD3 ARG 54 9.956 -0.910 -8.681 407 HE ARG 54 HE ARG 54 11.090 -1.852 -6.158 408 HH11 ARG 54 HH21 ARG 54 11.294 -1.597 -9.606 409 HH12 ARG 54 HH22 ARG 54 13.002 -1.880 -9.662 410 HH21 ARG 54 HH11 ARG 54 13.330 -2.225 -6.229 411 HH22 ARG 54 HH12 ARG 54 14.153 -2.234 -7.753 412 H CYS 55 H CYS 55 5.024 0.439 -5.229 413 HA CYS 55 HA CYS 55 6.570 2.886 -5.375 414 HB2 CYS 55 HB2 CYS 55 4.504 2.774 -6.628 415 HB3 CYS 55 HB3 CYS 55 3.598 2.345 -5.178 416 H ASN 56 H ASN 56 4.443 1.281 -3.020 417 HA ASN 56 HA ASN 56 4.701 3.323 -1.036 418 HB2 ASN 56 HB2 ASN 56 3.613 1.752 0.455 419 HB3 ASN 56 HB3 ASN 56 2.812 1.702 -1.114 420 HD21 ASN 56 HD21 ASN 56 2.493 -0.531 0.492 421 HD22 ASN 56 HD22 ASN 56 3.417 -1.823 -0.102 422 H LYS 57 H LYS 57 6.903 3.735 -0.758 423 HA LYS 57 HA LYS 57 9.083 2.241 -0.527 424 HB2 LYS 57 HB2 LYS 57 8.151 4.345 1.428 425 HB3 LYS 57 HB3 LYS 57 9.764 3.635 1.491 426 HG2 LYS 57 HG2 LYS 57 10.108 4.317 -0.892 427 HG3 LYS 57 HG3 LYS 57 8.546 5.135 -0.845 428 HD2 LYS 57 HD2 LYS 57 9.560 6.291 1.303 429 HD3 LYS 57 HD3 LYS 57 11.097 5.844 0.563 430 HE2 LYS 57 HE2 LYS 57 9.955 6.890 -1.603 431 HE3 LYS 57 HE3 LYS 57 9.022 7.773 -0.395 432 HZ1 LYS 57 HZ1 LYS 57 10.755 9.066 0.022 433 HZ2 LYS 57 HZ2 LYS 57 11.581 8.336 -1.271 434 HZ3 LYS 57 HZ3 LYS 57 11.764 7.733 0.307 Start of MODEL 10 1 H1 LEU 1 H1 LEU 1 2.992 -4.721 -9.890 2 H2 LEU 1 H2 LEU 1 1.794 -3.521 -9.802 3 H3 LEU 1 H3 LEU 1 1.827 -4.597 -11.116 4 HA LEU 1 HA LEU 1 0.214 -4.917 -9.048 5 HB2 LEU 1 HB2 LEU 1 0.026 -7.243 -9.746 6 HB3 LEU 1 HB3 LEU 1 0.316 -6.245 -11.170 7 HG LEU 1 HG LEU 1 2.852 -7.001 -10.056 8 HD11 LEU 1 HD11 LEU 1 2.765 -9.377 -10.081 9 HD12 LEU 1 HD12 LEU 1 1.152 -9.389 -10.792 10 HD13 LEU 1 HD13 LEU 1 1.374 -8.882 -9.118 11 HD21 LEU 1 HD21 LEU 1 3.275 -7.715 -12.275 12 HD22 LEU 1 HD22 LEU 1 2.099 -6.412 -12.457 13 HD23 LEU 1 HD23 LEU 1 1.577 -8.093 -12.566 14 H LYS 2 H LYS 2 2.406 -4.082 -7.622 15 HA LYS 2 HA LYS 2 2.561 -6.067 -5.571 16 HB2 LYS 2 HB2 LYS 2 4.839 -6.673 -5.695 17 HB3 LYS 2 HB3 LYS 2 4.246 -6.838 -7.346 18 HG2 LYS 2 HG2 LYS 2 5.006 -4.199 -7.288 19 HG3 LYS 2 HG3 LYS 2 6.213 -4.944 -6.239 20 HD2 LYS 2 HD2 LYS 2 6.368 -6.742 -8.142 21 HD3 LYS 2 HD3 LYS 2 5.642 -5.483 -9.140 22 HE2 LYS 2 HE2 LYS 2 7.485 -3.939 -8.186 23 HE3 LYS 2 HE3 LYS 2 8.282 -5.430 -7.684 24 HZ1 LYS 2 HZ1 LYS 2 7.804 -4.385 -10.369 25 HZ2 LYS 2 HZ2 LYS 2 7.730 -6.071 -10.166 26 HZ3 LYS 2 HZ3 LYS 2 9.145 -5.224 -9.755 27 H CYS 3 H CYS 3 3.664 -5.325 -3.686 28 HA CYS 3 HA CYS 3 4.824 -2.689 -3.617 29 HB2 CYS 3 HB2 CYS 3 2.775 -2.548 -1.643 30 HB3 CYS 3 HB3 CYS 3 3.029 -1.496 -3.033 31 H TYR 4 H TYR 4 4.854 -2.120 -1.008 32 HA TYR 4 HA TYR 4 6.182 -4.477 0.145 33 HB2 TYR 4 HB2 TYR 4 6.459 -1.516 0.575 34 HB3 TYR 4 HB3 TYR 4 7.047 -2.659 1.783 35 HD1 TYR 4 HD1 TYR 4 8.636 -4.514 1.029 36 HD2 TYR 4 HD2 TYR 4 7.704 -1.094 -1.395 37 HE1 TYR 4 HE1 TYR 4 10.649 -4.943 -0.348 38 HE2 TYR 4 HE2 TYR 4 9.721 -1.521 -2.773 39 HH TYR 4 HH TYR 4 11.405 -4.414 -2.712 40 H GLN 5 H GLN 5 4.506 -5.606 1.026 41 HA GLN 5 HA GLN 5 2.640 -4.270 2.835 42 HB2 GLN 5 HB2 GLN 5 1.806 -5.983 1.262 43 HB3 GLN 5 HB3 GLN 5 2.846 -7.182 2.032 44 HG2 GLN 5 HG2 GLN 5 1.688 -6.685 4.210 45 HG3 GLN 5 HG3 GLN 5 0.561 -5.663 3.317 46 HE21 GLN 5 HE21 GLN 5 -0.607 -7.783 4.607 47 HE22 GLN 5 HE22 GLN 5 -1.021 -9.009 3.509 48 H HIS 6 H HIS 6 4.948 -6.990 2.978 49 HA HIS 6 HA HIS 6 5.285 -6.425 5.861 50 HB2 HIS 6 HB2 HIS 6 3.977 -8.576 5.168 51 HB3 HIS 6 HB3 HIS 6 5.572 -9.197 4.746 52 HD1 HIS 6 HD1 HIS 6 4.236 -10.584 7.049 53 HD2 HIS 6 HD2 HIS 6 6.568 -7.171 7.590 54 HE1 HIS 6 HE1 HIS 6 4.985 -10.604 9.469 55 H GLY 7 H GLY 7 6.884 -5.311 3.821 56 HA2 GLY 7 HA2 GLY 7 9.179 -4.879 3.701 57 HA3 GLY 7 HA3 GLY 7 9.480 -6.346 4.626 58 H LYS 8 H LYS 8 7.816 -8.010 2.881 59 HA LYS 8 HA LYS 8 9.779 -8.383 0.732 60 HB2 LYS 8 HB2 LYS 8 7.651 -10.362 0.875 61 HB3 LYS 8 HB3 LYS 8 9.397 -10.583 0.993 62 HG2 LYS 8 HG2 LYS 8 9.212 -9.668 3.374 63 HG3 LYS 8 HG3 LYS 8 7.465 -9.859 3.203 64 HD2 LYS 8 HD2 LYS 8 9.262 -12.166 2.527 65 HD3 LYS 8 HD3 LYS 8 8.902 -11.821 4.219 66 HE2 LYS 8 HE2 LYS 8 6.673 -11.963 2.205 67 HE3 LYS 8 HE3 LYS 8 7.329 -13.443 2.904 68 HZ1 LYS 8 HZ1 LYS 8 6.364 -13.027 4.854 69 HZ2 LYS 8 HZ2 LYS 8 5.414 -11.888 4.024 70 HZ3 LYS 8 HZ3 LYS 8 6.815 -11.392 4.847 71 H VAL 9 H VAL 9 9.340 -7.325 -1.098 72 HA VAL 9 HA VAL 9 7.107 -6.083 -1.963 73 HB VAL 9 HB VAL 9 8.914 -7.767 -3.714 74 HG11 VAL 9 HG11 VAL 9 7.294 -7.177 -5.224 75 HG12 VAL 9 HG12 VAL 9 8.167 -5.644 -5.218 76 HG13 VAL 9 HG13 VAL 9 6.716 -5.837 -4.236 77 HG21 VAL 9 HG21 VAL 9 9.091 -4.803 -3.137 78 HG22 VAL 9 HG22 VAL 9 10.304 -5.840 -3.890 79 HG23 VAL 9 HG23 VAL 9 9.957 -5.995 -2.168 80 H VAL 10 H VAL 10 5.170 -7.039 -1.390 81 HA VAL 10 HA VAL 10 4.521 -9.740 -2.164 82 HB VAL 10 HB VAL 10 2.220 -9.082 -1.379 83 HG11 VAL 10 HG11 VAL 10 4.095 -9.990 0.100 84 HG12 VAL 10 HG12 VAL 10 2.831 -9.087 0.935 85 HG13 VAL 10 HG13 VAL 10 4.384 -8.324 0.597 86 HG21 VAL 10 HG21 VAL 10 3.352 -6.585 -0.227 87 HG22 VAL 10 HG22 VAL 10 1.714 -6.924 -0.785 88 HG23 VAL 10 HG23 VAL 10 2.982 -6.549 -1.951 89 H THR 11 H THR 11 3.265 -10.412 -3.870 90 HA THR 11 HA THR 11 2.925 -8.467 -6.034 91 HB THR 11 HB THR 11 4.020 -10.537 -6.641 92 HG1 THR 11 HG1 THR 11 2.579 -11.194 -8.263 93 HG21 THR 11 HG21 THR 11 3.323 -12.080 -4.992 94 HG22 THR 11 HG22 THR 11 2.583 -12.674 -6.480 95 HG23 THR 11 HG23 THR 11 1.615 -11.775 -5.310 96 H CYS 12 H CYS 12 1.151 -7.788 -4.181 97 HA CYS 12 HA CYS 12 -1.255 -8.992 -3.843 98 HB2 CYS 12 HB2 CYS 12 -1.602 -6.206 -4.691 99 HB3 CYS 12 HB3 CYS 12 -1.973 -6.976 -3.151 100 H HIS 13 H HIS 13 -2.847 -9.744 -5.093 101 HA HIS 13 HA HIS 13 -3.529 -8.547 -7.624 102 HB2 HIS 13 HB2 HIS 13 -1.443 -10.163 -7.892 103 HB3 HIS 13 HB3 HIS 13 -2.696 -11.401 -7.885 104 HD1 HIS 13 HD1 HIS 13 -2.993 -11.992 -10.302 105 HD2 HIS 13 HD2 HIS 13 -2.853 -7.866 -9.722 106 HE1 HIS 13 HE1 HIS 13 -3.489 -10.936 -12.550 107 H ARG 14 H ARG 14 -4.877 -10.625 -8.798 108 HA ARG 14 HA ARG 14 -6.859 -11.782 -8.728 109 HB2 ARG 14 HB2 ARG 14 -5.509 -13.153 -7.074 110 HB3 ARG 14 HB3 ARG 14 -6.292 -12.223 -5.795 111 HG2 ARG 14 HG2 ARG 14 -7.552 -14.277 -6.159 112 HG3 ARG 14 HG3 ARG 14 -8.512 -12.907 -6.720 113 HD2 ARG 14 HD2 ARG 14 -6.703 -14.155 -8.718 114 HD3 ARG 14 HD3 ARG 14 -8.096 -15.110 -8.223 115 HE ARG 14 HE ARG 14 -9.308 -12.821 -8.775 116 HH11 ARG 14 HH21 ARG 14 -6.714 -14.417 -10.417 117 HH12 ARG 14 HH22 ARG 14 -7.132 -13.790 -11.976 118 HH21 ARG 14 HH11 ARG 14 -9.861 -11.994 -10.817 119 HH22 ARG 14 HH12 ARG 14 -8.913 -12.416 -12.203 120 H ASP 15 H ASP 15 -6.246 -9.101 -6.742 121 HA ASP 15 HA ASP 15 -8.973 -8.225 -6.898 122 HB2 ASP 15 HB2 ASP 15 -9.034 -9.844 -4.968 123 HB3 ASP 15 HB3 ASP 15 -7.910 -8.781 -4.124 124 H MET 16 H MET 16 -6.038 -7.806 -4.908 125 HA MET 16 HA MET 16 -6.331 -5.008 -4.619 126 HB2 MET 16 HB2 MET 16 -3.804 -6.662 -4.460 127 HB3 MET 16 HB3 MET 16 -4.058 -5.058 -3.781 128 HG2 MET 16 HG2 MET 16 -5.060 -5.904 -1.948 129 HG3 MET 16 HG3 MET 16 -6.146 -6.887 -2.932 130 HE1 MET 16 HE1 MET 16 -4.784 -8.219 -0.016 131 HE2 MET 16 HE2 MET 16 -5.188 -9.704 -0.874 132 HE3 MET 16 HE3 MET 16 -6.201 -8.277 -1.075 133 H LYS 17 H LYS 17 -5.925 -3.412 -5.984 134 HA LYS 17 HA LYS 17 -4.115 -3.912 -8.267 135 HB2 LYS 17 HB2 LYS 17 -6.485 -3.918 -9.001 136 HB3 LYS 17 HB3 LYS 17 -6.677 -2.299 -8.330 137 HG2 LYS 17 HG2 LYS 17 -5.621 -1.328 -10.082 138 HG3 LYS 17 HG3 LYS 17 -4.345 -2.546 -10.093 139 HD2 LYS 17 HD2 LYS 17 -5.678 -4.066 -11.371 140 HD3 LYS 17 HD3 LYS 17 -7.132 -3.097 -11.131 141 HE2 LYS 17 HE2 LYS 17 -4.716 -1.922 -12.493 142 HE3 LYS 17 HE3 LYS 17 -5.878 -2.887 -13.402 143 HZ1 LYS 17 HZ1 LYS 17 -7.143 -1.092 -13.536 144 HZ2 LYS 17 HZ2 LYS 17 -6.094 -0.209 -12.533 145 HZ3 LYS 17 HZ3 LYS 17 -7.350 -1.129 -11.852 146 H PHE 18 H PHE 18 -4.813 -2.102 -5.540 147 HA PHE 18 HA PHE 18 -3.035 0.073 -6.453 148 HB2 PHE 18 HB2 PHE 18 -5.417 0.376 -4.614 149 HB3 PHE 18 HB3 PHE 18 -4.338 1.662 -5.150 150 HD1 PHE 18 HD2 PHE 18 -6.875 -0.805 -6.278 151 HD2 PHE 18 HD1 PHE 18 -4.557 2.660 -7.316 152 HE1 PHE 18 HE2 PHE 18 -8.248 -0.498 -8.321 153 HE2 PHE 18 HE1 PHE 18 -5.930 2.968 -9.356 154 HZ PHE 18 HZ PHE 18 -7.777 1.390 -9.859 155 H CYS 19 H CYS 19 -1.428 0.636 -5.070 156 HA CYS 19 HA CYS 19 -1.229 -0.916 -2.572 157 HB2 CYS 19 HB2 CYS 19 0.942 0.610 -4.032 158 HB3 CYS 19 HB3 CYS 19 1.157 -0.460 -2.648 159 H TYR 20 H TYR 20 -1.035 0.111 -0.597 160 HA TYR 20 HA TYR 20 -1.162 3.062 -0.676 161 HB2 TYR 20 HB2 TYR 20 -2.683 2.969 1.259 162 HB3 TYR 20 HB3 TYR 20 -3.365 2.158 -0.147 163 HD1 TYR 20 HD1 TYR 20 -1.467 1.532 3.011 164 HD2 TYR 20 HD2 TYR 20 -4.012 -0.107 -0.038 165 HE1 TYR 20 HE1 TYR 20 -1.703 -0.556 4.329 166 HE2 TYR 20 HE2 TYR 20 -4.245 -2.194 1.281 167 HH TYR 20 HH TYR 20 -2.245 -2.942 3.911 168 H HIS 21 H HIS 21 -0.215 4.199 0.995 169 HA HIS 21 HA HIS 21 1.664 2.660 2.689 170 HB2 HIS 21 HB2 HIS 21 2.579 4.173 0.780 171 HB3 HIS 21 HB3 HIS 21 2.124 5.509 1.837 172 HD1 HIS 21 HD1 HIS 21 4.953 3.524 1.108 173 HD2 HIS 21 HD2 HIS 21 3.236 4.845 4.671 174 HE1 HIS 21 HE1 HIS 21 6.755 3.353 2.880 175 H ASN 22 H ASN 22 0.086 2.577 4.375 176 HA ASN 22 HA ASN 22 -1.223 4.844 5.432 177 HB2 ASN 22 HB2 ASN 22 -1.774 2.401 5.868 178 HB3 ASN 22 HB3 ASN 22 -0.424 2.393 7.001 179 HD21 ASN 22 HD21 ASN 22 -3.758 3.090 6.711 180 HD22 ASN 22 HD22 ASN 22 -3.942 3.940 8.168 181 H THR 23 H THR 23 -0.519 6.464 6.665 182 HA THR 23 HA THR 23 2.188 6.251 7.829 183 HB THR 23 HB THR 23 1.500 8.914 7.958 184 HG1 THR 23 HG1 THR 23 -0.145 9.056 6.650 185 HG21 THR 23 HG21 THR 23 2.994 9.112 5.952 186 HG22 THR 23 HG22 THR 23 2.920 7.359 5.782 187 HG23 THR 23 HG23 THR 23 3.648 8.076 7.219 188 H GLY 24 H GLY 24 -1.156 6.580 8.540 189 HA2 GLY 24 HA2 GLY 24 -1.226 7.940 10.947 190 HA3 GLY 24 HA3 GLY 24 -2.285 6.590 10.549 191 H MET 25 H MET 25 -1.050 7.326 13.124 192 HA MET 25 HA MET 25 0.603 4.920 13.577 193 HB2 MET 25 HB2 MET 25 0.560 7.007 15.662 194 HB3 MET 25 HB3 MET 25 1.920 6.098 15.000 195 HG2 MET 25 HG2 MET 25 1.520 7.515 12.851 196 HG3 MET 25 HG3 MET 25 0.614 8.586 13.917 197 HE1 MET 25 HE1 MET 25 3.562 6.523 13.378 198 HE2 MET 25 HE2 MET 25 4.939 7.266 14.187 199 HE3 MET 25 HE3 MET 25 4.375 7.915 12.649 200 HA PRO 26 HA PRO 26 -2.845 3.511 16.015 201 HB2 PRO 26 HB2 PRO 26 -1.656 1.368 17.195 202 HB3 PRO 26 HB3 PRO 26 -2.125 1.382 15.483 203 HG2 PRO 26 HG2 PRO 26 0.554 1.778 16.715 204 HG3 PRO 26 HG3 PRO 26 0.107 0.904 15.241 205 HD2 PRO 26 HD2 PRO 26 1.171 3.446 15.239 206 HD3 PRO 26 HD3 PRO 26 0.130 2.810 13.947 207 H PHE 27 H PHE 27 -3.210 2.760 18.387 208 HA PHE 27 HA PHE 27 -2.459 4.859 20.128 209 HB2 PHE 27 HB2 PHE 27 -3.245 2.464 21.552 210 HB3 PHE 27 HB3 PHE 27 -4.109 3.993 21.378 211 HD1 PHE 27 HD1 PHE 27 -5.019 4.380 18.844 212 HD2 PHE 27 HD2 PHE 27 -4.320 0.577 20.717 213 HE1 PHE 27 HE1 PHE 27 -6.602 3.310 17.264 214 HE2 PHE 27 HE2 PHE 27 -5.903 -0.492 19.136 215 HZ PHE 27 HZ PHE 27 -7.044 0.874 17.409 216 H ARG 28 H ARG 28 -1.399 1.465 19.925 217 HA ARG 28 HA ARG 28 0.499 1.686 22.047 218 HB2 ARG 28 HB2 ARG 28 0.009 -0.331 19.863 219 HB3 ARG 28 HB3 ARG 28 1.396 -0.472 20.944 220 HG2 ARG 28 HG2 ARG 28 0.052 -0.772 22.843 221 HG3 ARG 28 HG3 ARG 28 -1.360 -0.047 22.073 222 HD2 ARG 28 HD2 ARG 28 -0.125 -2.646 21.140 223 HD3 ARG 28 HD3 ARG 28 -1.440 -2.573 22.308 224 HE ARG 28 HE ARG 28 -2.515 -1.163 20.335 225 HH11 ARG 28 HH21 ARG 28 -0.597 -4.042 20.241 226 HH12 ARG 28 HH22 ARG 28 -1.336 -4.652 18.798 227 HH21 ARG 28 HH11 ARG 28 -3.487 -1.957 18.443 228 HH22 ARG 28 HH12 ARG 28 -2.973 -3.473 17.780 229 H ASN 29 H ASN 29 2.576 2.333 22.017 230 HA ASN 29 HA ASN 29 3.597 3.754 19.768 231 HB2 ASN 29 HB2 ASN 29 4.119 4.055 22.295 232 HB3 ASN 29 HB3 ASN 29 5.309 2.780 22.037 233 HD21 ASN 29 HD21 ASN 29 4.275 5.838 20.397 234 HD22 ASN 29 HD22 ASN 29 5.856 6.337 20.034 235 H LEU 30 H LEU 30 2.948 0.980 19.187 236 HA LEU 30 HA LEU 30 5.595 0.134 18.198 237 HB2 LEU 30 HB2 LEU 30 3.508 -1.602 19.528 238 HB3 LEU 30 HB3 LEU 30 4.846 -2.247 18.576 239 HG LEU 30 HG LEU 30 6.216 -0.571 20.191 240 HD11 LEU 30 HD11 LEU 30 3.770 -0.285 21.286 241 HD12 LEU 30 HD12 LEU 30 5.251 -0.207 22.242 242 HD13 LEU 30 HD13 LEU 30 4.316 -1.702 22.183 243 HD21 LEU 30 HD21 LEU 30 5.393 -3.443 20.429 244 HD22 LEU 30 HD22 LEU 30 6.315 -2.724 21.750 245 HD23 LEU 30 HD23 LEU 30 6.989 -2.760 20.121 246 H LYS 31 H LYS 31 5.450 -1.347 16.340 247 HA LYS 31 HA LYS 31 4.760 -1.701 14.177 248 HB2 LYS 31 HB2 LYS 31 3.062 -2.989 15.744 249 HB3 LYS 31 HB3 LYS 31 1.924 -1.796 15.117 250 HG2 LYS 31 HG2 LYS 31 2.287 -2.484 12.863 251 HG3 LYS 31 HG3 LYS 31 3.717 -3.420 13.303 252 HD2 LYS 31 HD2 LYS 31 0.949 -4.044 14.356 253 HD3 LYS 31 HD3 LYS 31 1.623 -4.796 12.910 254 HE2 LYS 31 HE2 LYS 31 3.665 -5.089 14.749 255 HE3 LYS 31 HE3 LYS 31 2.222 -5.318 15.735 256 HZ1 LYS 31 HZ1 LYS 31 3.365 -7.206 14.174 257 HZ2 LYS 31 HZ2 LYS 31 2.098 -6.648 13.191 258 HZ3 LYS 31 HZ3 LYS 31 1.769 -7.247 14.746 259 H LEU 32 H LEU 32 5.310 0.742 14.071 260 HA LEU 32 HA LEU 32 2.996 2.456 13.630 261 HB2 LEU 32 HB2 LEU 32 5.919 3.090 13.181 262 HB3 LEU 32 HB3 LEU 32 4.589 4.237 13.355 263 HG LEU 32 HG LEU 32 4.383 2.673 15.638 264 HD11 LEU 32 HD11 LEU 32 6.607 2.548 16.593 265 HD12 LEU 32 HD12 LEU 32 7.305 3.338 15.179 266 HD13 LEU 32 HD13 LEU 32 6.632 1.714 15.039 267 HD21 LEU 32 HD21 LEU 32 5.969 5.245 15.415 268 HD22 LEU 32 HD22 LEU 32 5.015 4.687 16.789 269 HD23 LEU 32 HD23 LEU 32 4.210 5.191 15.304 270 H ILE 33 H ILE 33 3.664 0.073 11.909 271 HA ILE 33 HA ILE 33 3.751 1.504 9.321 272 HB ILE 33 HB ILE 33 4.913 -1.188 10.062 273 HG12 ILE 33 HG12 ILE 33 6.102 1.156 10.371 274 HG13 ILE 33 HG13 ILE 33 6.992 -0.206 9.687 275 HG21 ILE 33 HG21 ILE 33 3.847 -1.476 7.924 276 HG22 ILE 33 HG22 ILE 33 5.567 -1.239 7.611 277 HG23 ILE 33 HG23 ILE 33 4.434 0.088 7.357 278 HD11 ILE 33 HD11 ILE 33 6.717 0.598 7.461 279 HD12 ILE 33 HD12 ILE 33 7.163 2.014 8.415 280 HD13 ILE 33 HD13 ILE 33 5.480 1.756 7.953 281 H LEU 34 H LEU 34 2.057 1.188 8.010 282 HA LEU 34 HA LEU 34 0.404 -1.212 8.320 283 HB2 LEU 34 HB2 LEU 34 -0.416 1.548 9.027 284 HB3 LEU 34 HB3 LEU 34 -1.569 0.625 8.064 285 HG LEU 34 HG LEU 34 -0.330 -0.832 10.335 286 HD11 LEU 34 HD11 LEU 34 -2.027 1.622 10.655 287 HD12 LEU 34 HD12 LEU 34 -0.668 1.071 11.634 288 HD13 LEU 34 HD13 LEU 34 -2.237 0.277 11.776 289 HD21 LEU 34 HD21 LEU 34 -2.206 -1.549 8.672 290 HD22 LEU 34 HD22 LEU 34 -3.253 -0.526 9.656 291 HD23 LEU 34 HD23 LEU 34 -2.428 -1.905 10.384 292 H GLN 35 H GLN 35 2.085 -0.871 6.269 293 HA GLN 35 HA GLN 35 0.560 0.309 4.053 294 HB2 GLN 35 HB2 GLN 35 2.651 -0.092 2.746 295 HB3 GLN 35 HB3 GLN 35 2.887 0.967 4.137 296 HG2 GLN 35 HG2 GLN 35 3.690 -0.978 5.455 297 HG3 GLN 35 HG3 GLN 35 3.509 -1.999 4.032 298 HE21 GLN 35 HE21 GLN 35 5.890 -0.570 5.715 299 HE22 GLN 35 HE22 GLN 35 6.952 -0.140 4.463 300 H GLY 36 H GLY 36 -0.270 -0.880 2.406 301 HA2 GLY 36 HA2 GLY 36 0.413 -3.637 1.957 302 HA3 GLY 36 HA3 GLY 36 -1.155 -3.451 2.738 303 H CYS 37 H CYS 37 -1.948 -4.462 0.720 304 HA CYS 37 HA CYS 37 -2.254 -2.442 -1.416 305 HB2 CYS 37 HB2 CYS 37 -2.714 -5.270 -2.100 306 HB3 CYS 37 HB3 CYS 37 -1.925 -4.006 -3.036 307 H SER 38 H SER 38 -4.251 -2.729 -2.708 308 HA SER 38 HA SER 38 -6.471 -4.188 -1.714 309 HB2 SER 38 HB2 SER 38 -6.054 -2.252 0.013 310 HB3 SER 38 HB3 SER 38 -6.825 -1.255 -1.218 311 HG SER 38 HG SER 38 -7.867 -3.628 -0.049 312 H SER 39 H SER 39 -8.511 -3.539 -2.820 313 HA SER 39 HA SER 39 -7.908 -2.744 -5.559 314 HB2 SER 39 HB2 SER 39 -10.709 -3.244 -5.014 315 HB3 SER 39 HB3 SER 39 -9.611 -4.103 -6.091 316 HG SER 39 HG SER 39 -10.331 -5.456 -4.419 317 H SER 40 H SER 40 -9.960 -1.693 -2.864 318 HA SER 40 HA SER 40 -10.345 0.882 -4.268 319 HB2 SER 40 HB2 SER 40 -12.428 -0.473 -3.913 320 HB3 SER 40 HB3 SER 40 -12.160 -0.336 -2.178 321 HG SER 40 HG SER 40 -12.541 1.766 -4.051 322 H CYS 41 H CYS 41 -8.183 1.312 -3.241 323 HA CYS 41 HA CYS 41 -7.914 1.534 -0.425 324 HB2 CYS 41 HB2 CYS 41 -5.956 1.440 -1.861 325 HB3 CYS 41 HB3 CYS 41 -6.442 2.931 -2.669 326 H SER 42 H SER 42 -8.144 3.280 0.942 327 HA SER 42 HA SER 42 -9.858 5.446 -0.079 328 HB2 SER 42 HB2 SER 42 -9.667 3.968 2.444 329 HB3 SER 42 HB3 SER 42 -9.796 5.712 2.659 330 HG SER 42 HG SER 42 -11.672 5.698 1.464 331 H GLU 43 H GLU 43 -8.173 6.695 -1.008 332 HA GLU 43 HA GLU 43 -5.787 7.481 0.130 333 HB2 GLU 43 HB2 GLU 43 -6.657 8.034 -2.188 334 HB3 GLU 43 HB3 GLU 43 -7.573 9.343 -1.440 335 HG2 GLU 43 HG2 GLU 43 -5.493 10.300 -0.540 336 HG3 GLU 43 HG3 GLU 43 -4.567 8.987 -1.264 337 H THR 44 H THR 44 -5.126 9.051 1.551 338 HA THR 44 HA THR 44 -6.725 11.133 2.576 339 HB THR 44 HB THR 44 -6.444 9.422 4.892 340 HG1 THR 44 HG1 THR 44 -6.773 7.743 3.430 341 HG21 THR 44 HG21 THR 44 -7.874 11.431 4.719 342 HG22 THR 44 HG22 THR 44 -8.819 10.007 5.153 343 HG23 THR 44 HG23 THR 44 -8.857 10.619 3.500 344 H GLU 45 H GLU 45 -5.489 12.544 3.726 345 HA GLU 45 HA GLU 45 -2.804 12.669 3.601 346 HB2 GLU 45 HB2 GLU 45 -4.624 13.590 5.821 347 HB3 GLU 45 HB3 GLU 45 -2.899 13.958 5.814 348 HG2 GLU 45 HG2 GLU 45 -3.962 14.515 3.208 349 HG3 GLU 45 HG3 GLU 45 -4.978 15.307 4.411 350 H ASN 46 H ASN 46 -4.609 10.523 5.631 351 HA ASN 46 HA ASN 46 -2.267 9.825 7.239 352 HB2 ASN 46 HB2 ASN 46 -4.500 9.998 8.308 353 HB3 ASN 46 HB3 ASN 46 -5.065 8.672 7.293 354 HD21 ASN 46 HD21 ASN 46 -4.999 8.471 10.168 355 HD22 ASN 46 HD22 ASN 46 -3.845 7.297 10.581 356 H ASN 47 H ASN 47 -4.376 8.444 4.760 357 HA ASN 47 HA ASN 47 -2.348 6.345 4.320 358 HB2 ASN 47 HB2 ASN 47 -4.243 5.317 5.462 359 HB3 ASN 47 HB3 ASN 47 -5.353 5.997 4.274 360 HD21 ASN 47 HD21 ASN 47 -4.802 5.326 1.897 361 HD22 ASN 47 HD22 ASN 47 -4.284 3.726 1.670 362 H LYS 48 H LYS 48 -1.507 6.580 2.361 363 HA LYS 48 HA LYS 48 -3.094 7.907 0.269 364 HB2 LYS 48 HB2 LYS 48 -0.157 7.209 0.178 365 HB3 LYS 48 HB3 LYS 48 -1.027 8.356 -0.841 366 HG2 LYS 48 HG2 LYS 48 -0.513 9.973 0.635 367 HG3 LYS 48 HG3 LYS 48 -1.537 9.157 1.816 368 HD2 LYS 48 HD2 LYS 48 0.293 7.919 2.704 369 HD3 LYS 48 HD3 LYS 48 1.331 8.332 1.338 370 HE2 LYS 48 HE2 LYS 48 0.341 10.183 3.518 371 HE3 LYS 48 HE3 LYS 48 2.009 9.734 3.164 372 HZ1 LYS 48 HZ1 LYS 48 1.649 11.859 2.230 373 HZ2 LYS 48 HZ2 LYS 48 0.190 11.380 1.502 374 HZ3 LYS 48 HZ3 LYS 48 1.669 10.767 0.933 375 H CYS 49 H CYS 49 -2.761 7.074 -1.983 376 HA CYS 49 HA CYS 49 -2.414 4.154 -2.088 377 HB2 CYS 49 HB2 CYS 49 -4.656 5.405 -3.621 378 HB3 CYS 49 HB3 CYS 49 -4.464 3.741 -3.076 379 H CYS 50 H CYS 50 -1.062 3.620 -3.665 380 HA CYS 50 HA CYS 50 -0.496 5.576 -5.780 381 HB2 CYS 50 HB2 CYS 50 1.026 3.471 -4.403 382 HB3 CYS 50 HB3 CYS 50 1.267 3.498 -6.150 383 H SER 51 H SER 51 0.462 3.866 -7.743 384 HA SER 51 HA SER 51 -1.554 1.888 -8.375 385 HB2 SER 51 HB2 SER 51 -2.906 3.187 -9.603 386 HB3 SER 51 HB3 SER 51 -1.902 4.591 -9.248 387 HG SER 51 HG SER 51 -1.204 4.472 -11.216 388 H THR 52 H THR 52 1.419 2.298 -8.111 389 HA THR 52 HA THR 52 2.157 1.124 -10.720 390 HB THR 52 HB THR 52 4.172 2.697 -9.174 391 HG1 THR 52 HG1 THR 52 3.054 4.437 -9.411 392 HG21 THR 52 HG21 THR 52 5.308 2.662 -11.152 393 HG22 THR 52 HG22 THR 52 3.847 2.900 -12.109 394 HG23 THR 52 HG23 THR 52 4.251 1.295 -11.501 395 H ASP 53 H ASP 53 4.811 0.561 -10.048 396 HA ASP 53 HA ASP 53 4.397 -1.665 -8.189 397 HB2 ASP 53 HB2 ASP 53 7.018 -1.335 -9.509 398 HB3 ASP 53 HB3 ASP 53 6.009 -2.771 -9.345 399 H ARG 54 H ARG 54 5.605 -1.973 -6.333 400 HA ARG 54 HA ARG 54 6.445 -1.086 -4.346 401 HB2 ARG 54 HB2 ARG 54 8.880 -0.606 -4.602 402 HB3 ARG 54 HB3 ARG 54 8.383 -2.110 -5.377 403 HG2 ARG 54 HG2 ARG 54 8.413 -1.111 -7.551 404 HG3 ARG 54 HG3 ARG 54 8.558 0.513 -6.875 405 HD2 ARG 54 HD2 ARG 54 10.794 0.176 -6.226 406 HD3 ARG 54 HD3 ARG 54 10.647 -1.578 -6.296 407 HE ARG 54 HE ARG 54 10.343 -0.150 -8.829 408 HH11 ARG 54 HH21 ARG 54 12.338 -1.927 -6.628 409 HH12 ARG 54 HH22 ARG 54 13.506 -2.368 -7.828 410 HH21 ARG 54 HH11 ARG 54 11.872 -0.728 -10.407 411 HH22 ARG 54 HH12 ARG 54 13.242 -1.690 -9.967 412 H CYS 55 H CYS 55 4.736 0.791 -5.348 413 HA CYS 55 HA CYS 55 6.001 3.354 -5.675 414 HB2 CYS 55 HB2 CYS 55 3.693 2.629 -6.553 415 HB3 CYS 55 HB3 CYS 55 3.121 2.908 -4.908 416 H ASN 56 H ASN 56 4.705 1.485 -3.019 417 HA ASN 56 HA ASN 56 4.777 3.704 -1.152 418 HB2 ASN 56 HB2 ASN 56 4.648 0.934 -0.125 419 HB3 ASN 56 HB3 ASN 56 3.648 2.330 0.267 420 HD21 ASN 56 HD21 ASN 56 1.525 1.881 -0.318 421 HD22 ASN 56 HD22 ASN 56 1.056 1.097 -1.748 422 H LYS 57 H LYS 57 7.251 3.398 -2.379 423 HA LYS 57 HA LYS 57 9.493 3.218 -1.911 424 HB2 LYS 57 HB2 LYS 57 8.310 3.409 0.856 425 HB3 LYS 57 HB3 LYS 57 10.049 3.267 0.599 426 HG2 LYS 57 HG2 LYS 57 10.193 5.330 -0.492 427 HG3 LYS 57 HG3 LYS 57 8.481 5.335 -0.917 428 HD2 LYS 57 HD2 LYS 57 8.691 6.920 0.849 429 HD3 LYS 57 HD3 LYS 57 8.012 5.475 1.600 430 HE2 LYS 57 HE2 LYS 57 10.972 6.122 1.552 431 HE3 LYS 57 HE3 LYS 57 9.905 6.494 2.905 432 HZ1 LYS 57 HZ1 LYS 57 10.301 4.445 3.616 433 HZ2 LYS 57 HZ2 LYS 57 11.095 4.015 2.178 434 HZ3 LYS 57 HZ3 LYS 57 9.407 3.865 2.298 Start of MODEL 11 1 H1 LEU 1 H1 LEU 1 2.378 -5.648 -10.362 2 H2 LEU 1 H2 LEU 1 2.728 -3.988 -10.293 3 H3 LEU 1 H3 LEU 1 1.484 -4.554 -11.301 4 HA LEU 1 HA LEU 1 0.805 -3.482 -9.113 5 HB2 LEU 1 HB2 LEU 1 -0.109 -6.255 -9.931 6 HB3 LEU 1 HB3 LEU 1 -0.978 -5.229 -8.789 7 HG LEU 1 HG LEU 1 -0.232 -3.983 -11.385 8 HD11 LEU 1 HD11 LEU 1 -2.522 -5.019 -12.211 9 HD12 LEU 1 HD12 LEU 1 -2.099 -6.313 -11.091 10 HD13 LEU 1 HD13 LEU 1 -1.016 -5.912 -12.424 11 HD21 LEU 1 HD21 LEU 1 -2.982 -3.935 -10.256 12 HD22 LEU 1 HD22 LEU 1 -2.002 -2.612 -10.887 13 HD23 LEU 1 HD23 LEU 1 -1.722 -3.213 -9.254 14 H LYS 2 H LYS 2 3.182 -3.958 -8.122 15 HA LYS 2 HA LYS 2 2.726 -5.865 -5.907 16 HB2 LYS 2 HB2 LYS 2 5.056 -6.454 -5.920 17 HB3 LYS 2 HB3 LYS 2 4.453 -6.644 -7.566 18 HG2 LYS 2 HG2 LYS 2 5.297 -3.945 -7.319 19 HG3 LYS 2 HG3 LYS 2 6.574 -4.942 -6.622 20 HD2 LYS 2 HD2 LYS 2 6.413 -6.391 -8.709 21 HD3 LYS 2 HD3 LYS 2 5.392 -5.129 -9.401 22 HE2 LYS 2 HE2 LYS 2 7.292 -4.101 -10.053 23 HE3 LYS 2 HE3 LYS 2 7.581 -3.745 -8.351 24 HZ1 LYS 2 HZ1 LYS 2 8.852 -5.678 -10.067 25 HZ2 LYS 2 HZ2 LYS 2 8.393 -6.302 -8.555 26 HZ3 LYS 2 HZ3 LYS 2 9.420 -4.952 -8.644 27 H CYS 3 H CYS 3 3.724 -5.305 -3.893 28 HA CYS 3 HA CYS 3 4.878 -2.660 -3.584 29 HB2 CYS 3 HB2 CYS 3 2.736 -2.876 -1.659 30 HB3 CYS 3 HB3 CYS 3 3.079 -1.576 -2.801 31 H TYR 4 H TYR 4 4.937 -2.302 -0.971 32 HA TYR 4 HA TYR 4 6.261 -4.731 0.028 33 HB2 TYR 4 HB2 TYR 4 6.546 -1.805 0.646 34 HB3 TYR 4 HB3 TYR 4 7.122 -3.024 1.783 35 HD1 TYR 4 HD1 TYR 4 8.694 -4.841 0.916 36 HD2 TYR 4 HD2 TYR 4 7.823 -1.249 -1.269 37 HE1 TYR 4 HE1 TYR 4 10.725 -5.189 -0.462 38 HE2 TYR 4 HE2 TYR 4 9.855 -1.593 -2.648 39 HH TYR 4 HH TYR 4 11.308 -4.128 -3.178 40 H GLN 5 H GLN 5 4.594 -5.911 0.846 41 HA GLN 5 HA GLN 5 2.799 -4.641 2.798 42 HB2 GLN 5 HB2 GLN 5 1.843 -6.064 0.990 43 HB3 GLN 5 HB3 GLN 5 2.703 -7.445 1.670 44 HG2 GLN 5 HG2 GLN 5 1.313 -7.593 3.485 45 HG3 GLN 5 HG3 GLN 5 1.070 -5.849 3.570 46 HE21 GLN 5 HE21 GLN 5 -1.289 -6.865 3.854 47 HE22 GLN 5 HE22 GLN 5 -2.180 -7.009 2.417 48 H HIS 6 H HIS 6 5.366 -7.028 2.572 49 HA HIS 6 HA HIS 6 5.370 -7.185 5.517 50 HB2 HIS 6 HB2 HIS 6 5.579 -9.516 3.601 51 HB3 HIS 6 HB3 HIS 6 5.930 -9.612 5.326 52 HD1 HIS 6 HD1 HIS 6 3.360 -10.651 3.339 53 HD2 HIS 6 HD2 HIS 6 3.382 -8.026 6.577 54 HE1 HIS 6 HE1 HIS 6 0.989 -10.591 4.230 55 H GLY 7 H GLY 7 7.016 -5.502 4.033 56 HA2 GLY 7 HA2 GLY 7 9.273 -4.917 4.218 57 HA3 GLY 7 HA3 GLY 7 9.628 -6.554 4.768 58 H LYS 8 H LYS 8 8.369 -7.938 2.633 59 HA LYS 8 HA LYS 8 10.395 -7.542 0.557 60 HB2 LYS 8 HB2 LYS 8 8.385 -9.729 0.364 61 HB3 LYS 8 HB3 LYS 8 10.116 -9.755 0.026 62 HG2 LYS 8 HG2 LYS 8 10.235 -9.307 2.668 63 HG3 LYS 8 HG3 LYS 8 8.684 -10.145 2.611 64 HD2 LYS 8 HD2 LYS 8 9.656 -12.084 1.611 65 HD3 LYS 8 HD3 LYS 8 11.163 -11.234 1.262 66 HE2 LYS 8 HE2 LYS 8 11.456 -10.930 3.758 67 HE3 LYS 8 HE3 LYS 8 10.088 -12.020 3.982 68 HZ1 LYS 8 HZ1 LYS 8 11.806 -13.494 4.026 69 HZ2 LYS 8 HZ2 LYS 8 12.778 -12.587 2.968 70 HZ3 LYS 8 HZ3 LYS 8 11.481 -13.504 2.362 71 H VAL 9 H VAL 9 9.346 -8.249 -1.736 72 HA VAL 9 HA VAL 9 7.259 -6.229 -2.194 73 HB VAL 9 HB VAL 9 8.481 -7.602 -4.507 74 HG11 VAL 9 HG11 VAL 9 8.465 -5.375 -5.405 75 HG12 VAL 9 HG12 VAL 9 8.280 -4.665 -3.800 76 HG13 VAL 9 HG13 VAL 9 6.951 -5.572 -4.523 77 HG21 VAL 9 HG21 VAL 9 10.590 -6.271 -4.263 78 HG22 VAL 9 HG22 VAL 9 10.429 -7.531 -3.039 79 HG23 VAL 9 HG23 VAL 9 10.094 -5.851 -2.623 80 H VAL 10 H VAL 10 5.296 -7.106 -1.886 81 HA VAL 10 HA VAL 10 4.718 -9.809 -2.835 82 HB VAL 10 HB VAL 10 2.478 -9.379 -1.795 83 HG11 VAL 10 HG11 VAL 10 3.273 -9.624 0.448 84 HG12 VAL 10 HG12 VAL 10 4.749 -8.723 0.096 85 HG13 VAL 10 HG13 VAL 10 4.516 -10.334 -0.583 86 HG21 VAL 10 HG21 VAL 10 3.482 -7.008 -0.357 87 HG22 VAL 10 HG22 VAL 10 1.880 -7.322 -1.026 88 HG23 VAL 10 HG23 VAL 10 3.172 -6.730 -2.071 89 H THR 11 H THR 11 3.057 -10.270 -4.340 90 HA THR 11 HA THR 11 2.597 -8.078 -6.253 91 HB THR 11 HB THR 11 1.867 -10.819 -7.048 92 HG1 THR 11 HG1 THR 11 4.385 -10.879 -7.397 93 HG21 THR 11 HG21 THR 11 3.657 -8.689 -8.251 94 HG22 THR 11 HG22 THR 11 1.934 -8.875 -8.581 95 HG23 THR 11 HG23 THR 11 3.066 -10.133 -9.075 96 H CYS 12 H CYS 12 0.941 -7.438 -4.490 97 HA CYS 12 HA CYS 12 -1.374 -8.757 -3.873 98 HB2 CYS 12 HB2 CYS 12 -1.595 -5.905 -4.759 99 HB3 CYS 12 HB3 CYS 12 -2.290 -6.695 -3.343 100 H HIS 13 H HIS 13 -3.092 -9.531 -4.953 101 HA HIS 13 HA HIS 13 -3.881 -8.414 -7.518 102 HB2 HIS 13 HB2 HIS 13 -2.013 -10.391 -7.624 103 HB3 HIS 13 HB3 HIS 13 -3.502 -11.335 -7.674 104 HD1 HIS 13 HD1 HIS 13 -3.835 -11.857 -10.101 105 HD2 HIS 13 HD2 HIS 13 -2.816 -7.859 -9.500 106 HE1 HIS 13 HE1 HIS 13 -4.009 -10.725 -12.360 107 H ARG 14 H ARG 14 -5.351 -10.753 -8.307 108 HA ARG 14 HA ARG 14 -7.403 -11.735 -7.999 109 HB2 ARG 14 HB2 ARG 14 -6.261 -12.792 -6.060 110 HB3 ARG 14 HB3 ARG 14 -6.780 -11.441 -5.052 111 HG2 ARG 14 HG2 ARG 14 -8.976 -12.116 -5.032 112 HG3 ARG 14 HG3 ARG 14 -8.886 -12.804 -6.654 113 HD2 ARG 14 HD2 ARG 14 -7.966 -14.808 -5.900 114 HD3 ARG 14 HD3 ARG 14 -7.324 -14.078 -4.432 115 HE ARG 14 HE ARG 14 -10.086 -13.888 -4.233 116 HH11 ARG 14 HH21 ARG 14 -7.686 -16.352 -4.600 117 HH12 ARG 14 HH22 ARG 14 -8.596 -17.560 -3.756 118 HH21 ARG 14 HH11 ARG 14 -11.288 -15.467 -3.123 119 HH22 ARG 14 HH12 ARG 14 -10.635 -17.058 -2.919 120 H ASP 15 H ASP 15 -6.662 -8.643 -7.045 121 HA ASP 15 HA ASP 15 -9.055 -7.458 -7.612 122 HB2 ASP 15 HB2 ASP 15 -9.735 -7.019 -5.065 123 HB3 ASP 15 HB3 ASP 15 -10.382 -8.377 -5.984 124 H MET 16 H MET 16 -6.506 -7.473 -5.147 125 HA MET 16 HA MET 16 -6.439 -4.677 -4.720 126 HB2 MET 16 HB2 MET 16 -4.212 -6.703 -4.406 127 HB3 MET 16 HB3 MET 16 -4.282 -5.105 -3.668 128 HG2 MET 16 HG2 MET 16 -5.941 -5.713 -2.167 129 HG3 MET 16 HG3 MET 16 -6.568 -6.982 -3.218 130 HE1 MET 16 HE1 MET 16 -5.641 -8.833 -0.062 131 HE2 MET 16 HE2 MET 16 -6.718 -7.603 -0.716 132 HE3 MET 16 HE3 MET 16 -5.334 -7.121 0.261 133 H LYS 17 H LYS 17 -6.184 -3.327 -6.416 134 HA LYS 17 HA LYS 17 -3.957 -3.884 -8.283 135 HB2 LYS 17 HB2 LYS 17 -6.508 -2.323 -8.762 136 HB3 LYS 17 HB3 LYS 17 -5.200 -2.521 -9.929 137 HG2 LYS 17 HG2 LYS 17 -5.545 -5.083 -9.467 138 HG3 LYS 17 HG3 LYS 17 -7.133 -4.573 -8.892 139 HD2 LYS 17 HD2 LYS 17 -7.502 -3.397 -11.061 140 HD3 LYS 17 HD3 LYS 17 -5.959 -4.031 -11.635 141 HE2 LYS 17 HE2 LYS 17 -6.980 -6.350 -10.906 142 HE3 LYS 17 HE3 LYS 17 -8.515 -5.498 -11.070 143 HZ1 LYS 17 HZ1 LYS 17 -6.574 -5.192 -13.228 144 HZ2 LYS 17 HZ2 LYS 17 -8.269 -5.279 -13.294 145 HZ3 LYS 17 HZ3 LYS 17 -7.351 -6.694 -13.097 146 H PHE 18 H PHE 18 -4.383 -2.257 -5.617 147 HA PHE 18 HA PHE 18 -2.681 -0.035 -6.477 148 HB2 PHE 18 HB2 PHE 18 -5.235 0.373 -4.906 149 HB3 PHE 18 HB3 PHE 18 -4.039 1.616 -5.268 150 HD1 PHE 18 HD1 PHE 18 -6.461 -0.754 -6.806 151 HD2 PHE 18 HD2 PHE 18 -3.984 2.707 -7.385 152 HE1 PHE 18 HE1 PHE 18 -7.544 -0.346 -9.000 153 HE2 PHE 18 HE2 PHE 18 -5.065 3.115 -9.579 154 HZ PHE 18 HZ PHE 18 -6.845 1.587 -10.387 155 H CYS 19 H CYS 19 -1.211 0.565 -4.962 156 HA CYS 19 HA CYS 19 -1.208 -0.972 -2.450 157 HB2 CYS 19 HB2 CYS 19 1.082 0.670 -3.529 158 HB3 CYS 19 HB3 CYS 19 1.137 -0.655 -2.367 159 H TYR 20 H TYR 20 -1.116 0.074 -0.455 160 HA TYR 20 HA TYR 20 -1.333 3.015 -0.569 161 HB2 TYR 20 HB2 TYR 20 -3.130 3.032 0.948 162 HB3 TYR 20 HB3 TYR 20 -3.524 1.753 -0.194 163 HD1 TYR 20 HD1 TYR 20 -1.948 2.370 3.132 164 HD2 TYR 20 HD2 TYR 20 -3.883 -0.461 0.544 165 HE1 TYR 20 HE1 TYR 20 -2.059 0.740 4.998 166 HE2 TYR 20 HE2 TYR 20 -3.992 -2.092 2.410 167 HH TYR 20 HH TYR 20 -2.255 -2.151 4.904 168 H HIS 21 H HIS 21 -0.488 4.169 1.088 169 HA HIS 21 HA HIS 21 1.205 2.680 3.007 170 HB2 HIS 21 HB2 HIS 21 2.374 4.069 1.193 171 HB3 HIS 21 HB3 HIS 21 1.742 5.487 2.031 172 HD1 HIS 21 HD1 HIS 21 4.725 3.668 1.895 173 HD2 HIS 21 HD2 HIS 21 2.394 4.999 5.084 174 HE1 HIS 21 HE1 HIS 21 6.236 3.690 3.926 175 H ASN 22 H ASN 22 -0.344 2.638 4.642 176 HA ASN 22 HA ASN 22 -1.750 5.011 5.450 177 HB2 ASN 22 HB2 ASN 22 -2.862 2.945 5.828 178 HB3 ASN 22 HB3 ASN 22 -1.464 2.263 6.658 179 HD21 ASN 22 HD21 ASN 22 -3.211 1.921 8.426 180 HD22 ASN 22 HD22 ASN 22 -3.470 3.203 9.507 181 H THR 23 H THR 23 -0.945 6.608 6.609 182 HA THR 23 HA THR 23 1.439 6.135 8.269 183 HB THR 23 HB THR 23 1.803 8.499 8.191 184 HG1 THR 23 HG1 THR 23 -0.624 8.822 6.796 185 HG21 THR 23 HG21 THR 23 0.769 7.561 5.499 186 HG22 THR 23 HG22 THR 23 2.396 7.297 6.129 187 HG23 THR 23 HG23 THR 23 1.848 8.932 5.759 188 H GLY 24 H GLY 24 -1.936 6.600 8.430 189 HA2 GLY 24 HA2 GLY 24 -3.397 7.109 10.154 190 HA3 GLY 24 HA3 GLY 24 -2.332 6.039 11.061 191 H MET 25 H MET 25 -3.082 7.491 12.847 192 HA MET 25 HA MET 25 -2.188 10.201 12.959 193 HB2 MET 25 HB2 MET 25 -2.489 9.054 15.577 194 HB3 MET 25 HB3 MET 25 -3.530 10.216 14.753 195 HG2 MET 25 HG2 MET 25 -4.561 8.279 13.503 196 HG3 MET 25 HG3 MET 25 -3.647 7.196 14.553 197 HE1 MET 25 HE1 MET 25 -7.245 8.697 14.292 198 HE2 MET 25 HE2 MET 25 -7.514 7.318 15.355 199 HE3 MET 25 HE3 MET 25 -6.448 7.153 13.962 200 HA PRO 26 HA PRO 26 1.963 10.303 14.333 201 HB2 PRO 26 HB2 PRO 26 1.018 10.884 17.114 202 HB3 PRO 26 HB3 PRO 26 2.236 11.729 16.138 203 HG2 PRO 26 HG2 PRO 26 -0.235 12.700 16.485 204 HG3 PRO 26 HG3 PRO 26 0.673 12.933 14.983 205 HD2 PRO 26 HD2 PRO 26 -1.689 11.220 15.487 206 HD3 PRO 26 HD3 PRO 26 -1.078 11.875 13.953 207 H PHE 27 H PHE 27 0.330 9.171 17.293 208 HA PHE 27 HA PHE 27 0.716 7.345 18.636 209 HB2 PHE 27 HB2 PHE 27 0.533 6.370 15.868 210 HB3 PHE 27 HB3 PHE 27 1.361 5.268 16.969 211 HD1 PHE 27 HD1 PHE 27 -1.810 7.003 16.242 212 HD2 PHE 27 HD2 PHE 27 0.207 4.263 18.864 213 HE1 PHE 27 HE1 PHE 27 -3.990 6.321 17.206 214 HE2 PHE 27 HE2 PHE 27 -1.973 3.581 19.829 215 HZ PHE 27 HZ PHE 27 -4.072 4.610 18.999 216 H ARG 28 H ARG 28 2.337 5.913 19.494 217 HA ARG 28 HA ARG 28 5.004 5.957 18.364 218 HB2 ARG 28 HB2 ARG 28 4.568 8.145 19.754 219 HB3 ARG 28 HB3 ARG 28 4.790 7.071 21.136 220 HG2 ARG 28 HG2 ARG 28 6.978 6.383 20.301 221 HG3 ARG 28 HG3 ARG 28 6.754 7.350 18.842 222 HD2 ARG 28 HD2 ARG 28 7.007 8.358 21.686 223 HD3 ARG 28 HD3 ARG 28 8.128 8.629 20.355 224 HE ARG 28 HE ARG 28 5.593 9.994 20.795 225 HH11 ARG 28 HH21 ARG 28 8.184 9.191 18.648 226 HH12 ARG 28 HH22 ARG 28 7.902 10.527 17.584 227 HH21 ARG 28 HH11 ARG 28 5.215 11.750 19.403 228 HH22 ARG 28 HH12 ARG 28 6.219 11.975 18.010 229 H ASN 29 H ASN 29 5.024 3.738 18.424 230 HA ASN 29 HA ASN 29 5.148 2.547 21.116 231 HB2 ASN 29 HB2 ASN 29 4.026 0.490 19.957 232 HB3 ASN 29 HB3 ASN 29 3.019 1.813 20.539 233 HD21 ASN 29 HD21 ASN 29 2.975 3.704 18.660 234 HD22 ASN 29 HD22 ASN 29 2.558 3.101 17.129 235 H LEU 30 H LEU 30 5.154 0.759 18.108 236 HA LEU 30 HA LEU 30 8.082 0.567 18.134 237 HB2 LEU 30 HB2 LEU 30 6.472 -1.391 19.316 238 HB3 LEU 30 HB3 LEU 30 6.888 -2.050 17.735 239 HG LEU 30 HG LEU 30 8.954 -0.834 19.580 240 HD11 LEU 30 HD11 LEU 30 8.835 -2.661 20.885 241 HD12 LEU 30 HD12 LEU 30 9.192 -3.668 19.482 242 HD13 LEU 30 HD13 LEU 30 7.519 -3.302 19.902 243 HD21 LEU 30 HD21 LEU 30 8.918 -1.968 16.900 244 HD22 LEU 30 HD22 LEU 30 10.026 -2.852 17.948 245 HD23 LEU 30 HD23 LEU 30 10.219 -1.113 17.730 246 H LYS 31 H LYS 31 5.357 -1.139 16.581 247 HA LYS 31 HA LYS 31 6.663 -0.867 13.991 248 HB2 LYS 31 HB2 LYS 31 3.993 -2.140 14.618 249 HB3 LYS 31 HB3 LYS 31 4.985 -2.382 13.180 250 HG2 LYS 31 HG2 LYS 31 6.748 -3.411 14.530 251 HG3 LYS 31 HG3 LYS 31 5.823 -3.110 16.002 252 HD2 LYS 31 HD2 LYS 31 4.216 -4.722 15.484 253 HD3 LYS 31 HD3 LYS 31 4.565 -4.658 13.756 254 HE2 LYS 31 HE2 LYS 31 6.805 -5.677 14.223 255 HE3 LYS 31 HE3 LYS 31 6.328 -5.857 15.911 256 HZ1 LYS 31 HZ1 LYS 31 4.741 -7.419 15.392 257 HZ2 LYS 31 HZ2 LYS 31 5.965 -7.801 14.276 258 HZ3 LYS 31 HZ3 LYS 31 4.601 -6.918 13.778 259 H LEU 32 H LEU 32 6.506 1.386 13.651 260 HA LEU 32 HA LEU 32 3.839 2.578 13.505 261 HB2 LEU 32 HB2 LEU 32 6.634 3.681 13.206 262 HB3 LEU 32 HB3 LEU 32 5.195 4.638 12.851 263 HG LEU 32 HG LEU 32 5.323 3.178 15.461 264 HD11 LEU 32 HD11 LEU 32 6.941 5.591 14.675 265 HD12 LEU 32 HD12 LEU 32 7.428 4.197 15.640 266 HD13 LEU 32 HD13 LEU 32 6.356 5.417 16.329 267 HD21 LEU 32 HD21 LEU 32 3.967 5.072 16.182 268 HD22 LEU 32 HD22 LEU 32 3.300 4.437 14.677 269 HD23 LEU 32 HD23 LEU 32 4.270 5.910 14.660 270 H ILE 33 H ILE 33 4.460 0.452 11.665 271 HA ILE 33 HA ILE 33 4.345 1.959 9.122 272 HB ILE 33 HB ILE 33 5.799 -0.575 9.818 273 HG12 ILE 33 HG12 ILE 33 7.015 1.578 9.814 274 HG13 ILE 33 HG13 ILE 33 7.585 0.527 8.519 275 HG21 ILE 33 HG21 ILE 33 4.425 -1.250 7.960 276 HG22 ILE 33 HG22 ILE 33 6.037 -0.918 7.324 277 HG23 ILE 33 HG23 ILE 33 4.744 0.261 7.106 278 HD11 ILE 33 HD11 ILE 33 5.573 1.856 7.242 279 HD12 ILE 33 HD12 ILE 33 7.259 2.371 7.217 280 HD13 ILE 33 HD13 ILE 33 6.132 3.099 8.361 281 H LEU 34 H LEU 34 2.558 1.641 7.949 282 HA LEU 34 HA LEU 34 0.980 -0.811 8.410 283 HB2 LEU 34 HB2 LEU 34 0.007 2.045 8.424 284 HB3 LEU 34 HB3 LEU 34 -1.074 0.682 8.134 285 HG LEU 34 HG LEU 34 0.616 0.153 10.425 286 HD11 LEU 34 HD11 LEU 34 0.660 2.612 10.633 287 HD12 LEU 34 HD12 LEU 34 -0.308 1.889 11.918 288 HD13 LEU 34 HD13 LEU 34 -1.101 2.653 10.540 289 HD21 LEU 34 HD21 LEU 34 -1.484 -0.408 11.435 290 HD22 LEU 34 HD22 LEU 34 -1.627 -0.862 9.737 291 HD23 LEU 34 HD23 LEU 34 -2.373 0.627 10.318 292 H GLN 35 H GLN 35 2.274 -1.293 6.404 293 HA GLN 35 HA GLN 35 1.210 -0.004 3.995 294 HB2 GLN 35 HB2 GLN 35 3.751 -0.817 4.674 295 HB3 GLN 35 HB3 GLN 35 3.181 -2.144 3.662 296 HG2 GLN 35 HG2 GLN 35 4.169 -0.546 2.182 297 HG3 GLN 35 HG3 GLN 35 2.424 -0.394 1.991 298 HE21 GLN 35 HE21 GLN 35 3.577 0.853 4.989 299 HE22 GLN 35 HE22 GLN 35 3.559 2.496 4.561 300 H GLY 36 H GLY 36 0.063 -1.103 2.457 301 HA2 GLY 36 HA2 GLY 36 -0.270 -3.918 2.365 302 HA3 GLY 36 HA3 GLY 36 -1.634 -3.184 3.204 303 H CYS 37 H CYS 37 -1.991 -4.554 0.812 304 HA CYS 37 HA CYS 37 -2.245 -2.495 -1.265 305 HB2 CYS 37 HB2 CYS 37 -3.166 -5.261 -1.787 306 HB3 CYS 37 HB3 CYS 37 -2.201 -4.181 -2.795 307 H SER 38 H SER 38 -4.308 -2.604 -2.581 308 HA SER 38 HA SER 38 -6.715 -3.517 -1.342 309 HB2 SER 38 HB2 SER 38 -6.052 -1.495 0.071 310 HB3 SER 38 HB3 SER 38 -6.377 -0.519 -1.358 311 HG SER 38 HG SER 38 -8.220 -2.380 -0.274 312 H SER 39 H SER 39 -8.630 -2.902 -2.587 313 HA SER 39 HA SER 39 -7.933 -2.483 -5.407 314 HB2 SER 39 HB2 SER 39 -9.273 -4.431 -5.041 315 HB3 SER 39 HB3 SER 39 -10.406 -3.539 -4.029 316 HG SER 39 HG SER 39 -10.719 -2.209 -6.004 317 H SER 40 H SER 40 -9.424 -0.898 -2.736 318 HA SER 40 HA SER 40 -10.155 1.345 -4.505 319 HB2 SER 40 HB2 SER 40 -12.103 -0.200 -3.551 320 HB3 SER 40 HB3 SER 40 -11.865 0.804 -2.124 321 HG SER 40 HG SER 40 -11.833 2.484 -4.069 322 H CYS 41 H CYS 41 -7.786 0.971 -2.926 323 HA CYS 41 HA CYS 41 -7.572 1.949 -0.432 324 HB2 CYS 41 HB2 CYS 41 -5.596 1.493 -1.751 325 HB3 CYS 41 HB3 CYS 41 -5.956 2.842 -2.829 326 H SER 42 H SER 42 -8.155 3.705 0.684 327 HA SER 42 HA SER 42 -9.516 5.872 -0.701 328 HB2 SER 42 HB2 SER 42 -9.750 6.642 1.796 329 HB3 SER 42 HB3 SER 42 -10.699 5.281 1.206 330 HG SER 42 HG SER 42 -9.086 3.902 2.048 331 H GLU 43 H GLU 43 -7.724 6.846 -1.767 332 HA GLU 43 HA GLU 43 -5.337 7.684 -0.618 333 HB2 GLU 43 HB2 GLU 43 -5.850 7.786 -3.043 334 HB3 GLU 43 HB3 GLU 43 -6.933 9.143 -2.735 335 HG2 GLU 43 HG2 GLU 43 -4.883 10.235 -1.575 336 HG3 GLU 43 HG3 GLU 43 -3.938 9.026 -2.444 337 H THR 44 H THR 44 -4.847 9.108 0.911 338 HA THR 44 HA THR 44 -6.343 11.562 1.247 339 HB THR 44 HB THR 44 -6.587 10.928 3.792 340 HG1 THR 44 HG1 THR 44 -5.564 8.851 3.344 341 HG21 THR 44 HG21 THR 44 -8.873 10.400 3.390 342 HG22 THR 44 HG22 THR 44 -8.506 9.676 1.824 343 HG23 THR 44 HG23 THR 44 -8.386 11.423 2.038 344 H GLU 45 H GLU 45 -5.457 12.545 3.524 345 HA GLU 45 HA GLU 45 -2.668 12.963 3.065 346 HB2 GLU 45 HB2 GLU 45 -4.757 14.145 4.662 347 HB3 GLU 45 HB3 GLU 45 -3.318 13.894 5.650 348 HG2 GLU 45 HG2 GLU 45 -1.961 14.992 3.847 349 HG3 GLU 45 HG3 GLU 45 -3.465 15.363 3.004 350 H ASN 46 H ASN 46 -4.545 11.024 5.321 351 HA ASN 46 HA ASN 46 -2.173 10.208 6.805 352 HB2 ASN 46 HB2 ASN 46 -4.826 10.439 7.483 353 HB3 ASN 46 HB3 ASN 46 -4.659 8.703 7.233 354 HD21 ASN 46 HD21 ASN 46 -5.113 9.637 9.844 355 HD22 ASN 46 HD22 ASN 46 -3.700 9.447 10.766 356 H ASN 47 H ASN 47 -4.594 8.761 4.645 357 HA ASN 47 HA ASN 47 -2.749 6.498 4.207 358 HB2 ASN 47 HB2 ASN 47 -5.724 6.675 4.419 359 HB3 ASN 47 HB3 ASN 47 -5.022 5.463 3.355 360 HD21 ASN 47 HD21 ASN 47 -3.879 6.690 6.545 361 HD22 ASN 47 HD22 ASN 47 -3.860 5.162 7.285 362 H LYS 48 H LYS 48 -1.756 6.631 2.308 363 HA LYS 48 HA LYS 48 -3.009 8.138 0.119 364 HB2 LYS 48 HB2 LYS 48 -0.200 7.044 0.390 365 HB3 LYS 48 HB3 LYS 48 -0.787 8.069 -0.922 366 HG2 LYS 48 HG2 LYS 48 -0.702 9.955 0.349 367 HG3 LYS 48 HG3 LYS 48 -1.311 9.126 1.783 368 HD2 LYS 48 HD2 LYS 48 0.986 9.829 2.189 369 HD3 LYS 48 HD3 LYS 48 0.933 8.070 2.075 370 HE2 LYS 48 HE2 LYS 48 1.391 9.564 -0.459 371 HE3 LYS 48 HE3 LYS 48 2.718 9.541 0.703 372 HZ1 LYS 48 HZ1 LYS 48 3.186 7.495 0.049 373 HZ2 LYS 48 HZ2 LYS 48 1.870 7.495 -1.025 374 HZ3 LYS 48 HZ3 LYS 48 1.662 6.967 0.575 375 H CYS 49 H CYS 49 -2.140 7.135 -2.125 376 HA CYS 49 HA CYS 49 -2.448 4.236 -2.227 377 HB2 CYS 49 HB2 CYS 49 -4.356 5.947 -3.817 378 HB3 CYS 49 HB3 CYS 49 -4.401 4.202 -3.570 379 H CYS 50 H CYS 50 -1.227 3.422 -3.817 380 HA CYS 50 HA CYS 50 -0.636 5.063 -6.179 381 HB2 CYS 50 HB2 CYS 50 1.810 4.228 -5.912 382 HB3 CYS 50 HB3 CYS 50 1.281 5.608 -4.950 383 H SER 51 H SER 51 0.084 3.849 -7.996 384 HA SER 51 HA SER 51 -0.073 0.920 -7.752 385 HB2 SER 51 HB2 SER 51 -2.267 1.304 -8.456 386 HB3 SER 51 HB3 SER 51 -1.812 2.687 -9.448 387 HG SER 51 HG SER 51 -2.199 0.888 -10.755 388 H THR 52 H THR 52 2.241 2.460 -8.033 389 HA THR 52 HA THR 52 2.985 2.017 -10.861 390 HB THR 52 HB THR 52 4.743 3.623 -9.091 391 HG1 THR 52 HG1 THR 52 3.337 5.447 -9.562 392 HG21 THR 52 HG21 THR 52 4.911 3.072 -11.648 393 HG22 THR 52 HG22 THR 52 5.279 4.705 -11.089 394 HG23 THR 52 HG23 THR 52 3.710 4.353 -11.814 395 H ASP 53 H ASP 53 2.912 0.087 -8.554 396 HA ASP 53 HA ASP 53 4.197 -1.604 -7.674 397 HB2 ASP 53 HB2 ASP 53 6.195 -1.198 -9.865 398 HB3 ASP 53 HB3 ASP 53 5.561 -2.699 -9.193 399 H ARG 54 H ARG 54 5.515 -1.594 -5.973 400 HA ARG 54 HA ARG 54 7.137 -0.950 -4.480 401 HB2 ARG 54 HB2 ARG 54 8.499 -0.357 -7.106 402 HB3 ARG 54 HB3 ARG 54 9.300 -0.106 -5.554 403 HG2 ARG 54 HG2 ARG 54 8.947 -2.455 -4.957 404 HG3 ARG 54 HG3 ARG 54 8.071 -2.724 -6.464 405 HD2 ARG 54 HD2 ARG 54 10.094 -3.345 -7.284 406 HD3 ARG 54 HD3 ARG 54 10.398 -1.613 -7.385 407 HE ARG 54 HE ARG 54 11.177 -2.151 -4.866 408 HH11 ARG 54 HH21 ARG 54 11.760 -3.730 -7.889 409 HH12 ARG 54 HH22 ARG 54 13.321 -4.327 -7.433 410 HH21 ARG 54 HH11 ARG 54 13.222 -2.929 -4.261 411 HH22 ARG 54 HH12 ARG 54 14.149 -3.871 -5.380 412 H CYS 55 H CYS 55 5.040 0.946 -5.320 413 HA CYS 55 HA CYS 55 6.164 3.569 -5.475 414 HB2 CYS 55 HB2 CYS 55 3.874 4.336 -5.082 415 HB3 CYS 55 HB3 CYS 55 3.883 3.030 -6.267 416 H ASN 56 H ASN 56 4.967 1.530 -2.847 417 HA ASN 56 HA ASN 56 5.484 3.617 -0.871 418 HB2 ASN 56 HB2 ASN 56 4.820 1.501 0.629 419 HB3 ASN 56 HB3 ASN 56 3.611 2.510 -0.163 420 HD21 ASN 56 HD21 ASN 56 5.788 0.007 -1.569 421 HD22 ASN 56 HD22 ASN 56 4.528 -0.945 -2.191 422 H LYS 57 H LYS 57 7.825 3.620 -1.449 423 HA LYS 57 HA LYS 57 9.265 1.415 -0.100 424 HB2 LYS 57 HB2 LYS 57 11.173 1.928 -1.523 425 HB3 LYS 57 HB3 LYS 57 9.752 1.628 -2.525 426 HG2 LYS 57 HG2 LYS 57 9.375 4.158 -2.495 427 HG3 LYS 57 HG3 LYS 57 11.001 4.291 -1.827 428 HD2 LYS 57 HD2 LYS 57 11.719 2.807 -3.830 429 HD3 LYS 57 HD3 LYS 57 10.161 3.251 -4.529 430 HE2 LYS 57 HE2 LYS 57 12.547 4.965 -3.972 431 HE3 LYS 57 HE3 LYS 57 11.459 4.974 -5.360 432 HZ1 LYS 57 HZ1 LYS 57 11.360 6.815 -3.491 433 HZ2 LYS 57 HZ2 LYS 57 10.327 5.678 -2.764 434 HZ3 LYS 57 HZ3 LYS 57 9.969 6.291 -4.307 Start of MODEL 12 1 H1 LEU 1 H1 LEU 1 0.769 -6.270 -10.974 2 H2 LEU 1 H2 LEU 1 2.392 -6.748 -10.822 3 H3 LEU 1 H3 LEU 1 1.962 -5.534 -11.929 4 HA LEU 1 HA LEU 1 2.768 -4.255 -10.235 5 HB2 LEU 1 HB2 LEU 1 0.033 -4.262 -10.624 6 HB3 LEU 1 HB3 LEU 1 0.173 -4.401 -8.870 7 HG LEU 1 HG LEU 1 1.894 -2.481 -9.050 8 HD11 LEU 1 HD11 LEU 1 0.406 -1.855 -11.593 9 HD12 LEU 1 HD12 LEU 1 1.892 -2.805 -11.638 10 HD13 LEU 1 HD13 LEU 1 1.913 -1.161 -10.996 11 HD21 LEU 1 HD21 LEU 1 -0.090 -0.803 -9.366 12 HD22 LEU 1 HD22 LEU 1 -0.138 -1.931 -8.011 13 HD23 LEU 1 HD23 LEU 1 -1.080 -2.260 -9.466 14 H LYS 2 H LYS 2 3.048 -3.882 -7.885 15 HA LYS 2 HA LYS 2 2.460 -5.962 -6.010 16 HB2 LYS 2 HB2 LYS 2 4.708 -6.788 -5.648 17 HB3 LYS 2 HB3 LYS 2 4.276 -7.038 -7.339 18 HG2 LYS 2 HG2 LYS 2 5.417 -4.424 -7.090 19 HG3 LYS 2 HG3 LYS 2 6.490 -5.572 -6.288 20 HD2 LYS 2 HD2 LYS 2 5.356 -6.116 -9.035 21 HD3 LYS 2 HD3 LYS 2 6.854 -5.211 -8.811 22 HE2 LYS 2 HE2 LYS 2 7.884 -7.073 -7.659 23 HE3 LYS 2 HE3 LYS 2 6.362 -7.964 -7.644 24 HZ1 LYS 2 HZ1 LYS 2 7.875 -7.163 -10.071 25 HZ2 LYS 2 HZ2 LYS 2 6.409 -8.020 -10.056 26 HZ3 LYS 2 HZ3 LYS 2 7.815 -8.726 -9.416 27 H CYS 3 H CYS 3 3.303 -5.502 -3.879 28 HA CYS 3 HA CYS 3 4.677 -2.986 -3.442 29 HB2 CYS 3 HB2 CYS 3 2.306 -2.951 -1.791 30 HB3 CYS 3 HB3 CYS 3 2.927 -1.708 -2.878 31 H TYR 4 H TYR 4 4.610 -2.580 -0.899 32 HA TYR 4 HA TYR 4 5.725 -4.986 0.260 33 HB2 TYR 4 HB2 TYR 4 5.510 -2.117 1.139 34 HB3 TYR 4 HB3 TYR 4 6.033 -3.376 2.259 35 HD1 TYR 4 HD2 TYR 4 7.822 -5.074 1.209 36 HD2 TYR 4 HD1 TYR 4 7.161 -1.039 -0.106 37 HE1 TYR 4 HE2 TYR 4 10.087 -5.030 0.208 38 HE2 TYR 4 HE1 TYR 4 9.428 -0.995 -1.108 39 HH TYR 4 HH TYR 4 11.675 -2.302 -0.630 40 H GLN 5 H GLN 5 3.944 -6.342 0.477 41 HA GLN 5 HA GLN 5 1.695 -5.490 2.132 42 HB2 GLN 5 HB2 GLN 5 1.752 -7.118 0.005 43 HB3 GLN 5 HB3 GLN 5 1.986 -8.321 1.274 44 HG2 GLN 5 HG2 GLN 5 -0.004 -6.989 2.427 45 HG3 GLN 5 HG3 GLN 5 -0.362 -6.540 0.760 46 HE21 GLN 5 HE21 GLN 5 -2.304 -7.886 0.700 47 HE22 GLN 5 HE22 GLN 5 -2.200 -9.579 0.664 48 H HIS 6 H HIS 6 4.418 -7.753 2.258 49 HA HIS 6 HA HIS 6 3.925 -8.045 5.161 50 HB2 HIS 6 HB2 HIS 6 4.695 -10.121 3.122 51 HB3 HIS 6 HB3 HIS 6 5.058 -10.337 4.833 52 HD1 HIS 6 HD1 HIS 6 1.927 -8.775 3.347 53 HD2 HIS 6 HD2 HIS 6 3.049 -12.123 5.563 54 HE1 HIS 6 HE1 HIS 6 -0.218 -9.931 4.033 55 H GLY 7 H GLY 7 5.508 -6.004 4.292 56 HA2 GLY 7 HA2 GLY 7 7.565 -5.090 4.835 57 HA3 GLY 7 HA3 GLY 7 8.030 -6.651 5.505 58 H LYS 8 H LYS 8 6.960 -7.495 2.599 59 HA LYS 8 HA LYS 8 9.476 -6.896 1.178 60 HB2 LYS 8 HB2 LYS 8 8.372 -9.541 0.592 61 HB3 LYS 8 HB3 LYS 8 10.033 -9.068 0.949 62 HG2 LYS 8 HG2 LYS 8 9.345 -8.864 3.381 63 HG3 LYS 8 HG3 LYS 8 7.814 -9.618 2.931 64 HD2 LYS 8 HD2 LYS 8 8.999 -11.516 3.493 65 HD3 LYS 8 HD3 LYS 8 9.458 -11.393 1.795 66 HE2 LYS 8 HE2 LYS 8 11.470 -10.067 2.495 67 HE3 LYS 8 HE3 LYS 8 11.041 -10.388 4.175 68 HZ1 LYS 8 HZ1 LYS 8 10.971 -12.810 2.793 69 HZ2 LYS 8 HZ2 LYS 8 12.050 -12.334 4.015 70 HZ3 LYS 8 HZ3 LYS 8 12.427 -12.043 2.384 71 H VAL 9 H VAL 9 9.165 -6.184 -0.847 72 HA VAL 9 HA VAL 9 6.653 -5.583 -1.893 73 HB VAL 9 HB VAL 9 8.071 -5.647 -4.146 74 HG11 VAL 9 HG11 VAL 9 7.511 -3.512 -3.518 75 HG12 VAL 9 HG12 VAL 9 9.213 -3.455 -3.060 76 HG13 VAL 9 HG13 VAL 9 7.982 -3.772 -1.837 77 HG21 VAL 9 HG21 VAL 9 10.359 -5.808 -3.896 78 HG22 VAL 9 HG22 VAL 9 9.873 -6.884 -2.586 79 HG23 VAL 9 HG23 VAL 9 10.325 -5.215 -2.235 80 H VAL 10 H VAL 10 5.179 -7.223 -2.005 81 HA VAL 10 HA VAL 10 5.881 -9.520 -3.733 82 HB VAL 10 HB VAL 10 4.022 -10.707 -2.464 83 HG11 VAL 10 HG11 VAL 10 6.757 -10.096 -1.688 84 HG12 VAL 10 HG12 VAL 10 5.881 -11.623 -1.571 85 HG13 VAL 10 HG13 VAL 10 5.759 -10.435 -0.273 86 HG21 VAL 10 HG21 VAL 10 2.902 -9.630 -0.822 87 HG22 VAL 10 HG22 VAL 10 3.628 -8.141 -1.425 88 HG23 VAL 10 HG23 VAL 10 4.398 -9.025 -0.108 89 H THR 11 H THR 11 4.033 -10.449 -4.924 90 HA THR 11 HA THR 11 2.583 -8.378 -6.290 91 HB THR 11 HB THR 11 2.230 -11.369 -6.546 92 HG1 THR 11 HG1 THR 11 4.336 -9.797 -7.090 93 HG21 THR 11 HG21 THR 11 0.609 -10.652 -7.953 94 HG22 THR 11 HG22 THR 11 1.934 -10.174 -9.015 95 HG23 THR 11 HG23 THR 11 1.205 -8.991 -7.928 96 H CYS 12 H CYS 12 1.082 -7.420 -4.964 97 HA CYS 12 HA CYS 12 -0.560 -8.583 -3.073 98 HB2 CYS 12 HB2 CYS 12 -1.309 -6.341 -4.966 99 HB3 CYS 12 HB3 CYS 12 -2.072 -6.690 -3.415 100 H HIS 13 H HIS 13 -2.717 -9.355 -3.112 101 HA HIS 13 HA HIS 13 -3.395 -11.367 -4.746 102 HB2 HIS 13 HB2 HIS 13 -4.922 -9.510 -3.082 103 HB3 HIS 13 HB3 HIS 13 -5.872 -10.183 -4.407 104 HD1 HIS 13 HD1 HIS 13 -4.871 -10.945 -1.052 105 HD2 HIS 13 HD2 HIS 13 -5.438 -13.214 -4.504 106 HE1 HIS 13 HE1 HIS 13 -5.140 -13.346 -0.294 107 H ARG 14 H ARG 14 -5.030 -11.577 -6.479 108 HA ARG 14 HA ARG 14 -4.308 -10.075 -8.758 109 HB2 ARG 14 HB2 ARG 14 -6.696 -11.189 -9.462 110 HB3 ARG 14 HB3 ARG 14 -5.153 -12.043 -9.499 111 HG2 ARG 14 HG2 ARG 14 -5.540 -13.069 -7.398 112 HG3 ARG 14 HG3 ARG 14 -6.840 -11.945 -6.997 113 HD2 ARG 14 HD2 ARG 14 -8.022 -12.918 -9.100 114 HD3 ARG 14 HD3 ARG 14 -6.874 -14.244 -8.941 115 HE ARG 14 HE ARG 14 -8.071 -13.799 -6.431 116 HH11 ARG 14 HH21 ARG 14 -8.840 -14.859 -9.631 117 HH12 ARG 14 HH22 ARG 14 -10.123 -15.907 -9.125 118 HH21 ARG 14 HH11 ARG 14 -9.752 -15.169 -5.757 119 HH22 ARG 14 HH12 ARG 14 -10.640 -16.082 -6.930 120 H ASP 15 H ASP 15 -7.009 -9.821 -6.500 121 HA ASP 15 HA ASP 15 -8.443 -7.857 -8.014 122 HB2 ASP 15 HB2 ASP 15 -8.683 -9.150 -5.377 123 HB3 ASP 15 HB3 ASP 15 -9.290 -7.496 -5.445 124 H MET 16 H MET 16 -6.090 -7.758 -5.379 125 HA MET 16 HA MET 16 -6.240 -4.955 -4.919 126 HB2 MET 16 HB2 MET 16 -4.178 -7.067 -4.298 127 HB3 MET 16 HB3 MET 16 -3.934 -5.372 -3.883 128 HG2 MET 16 HG2 MET 16 -5.690 -5.354 -2.346 129 HG3 MET 16 HG3 MET 16 -6.496 -6.728 -3.102 130 HE1 MET 16 HE1 MET 16 -6.587 -7.758 -0.209 131 HE2 MET 16 HE2 MET 16 -6.103 -6.065 -0.275 132 HE3 MET 16 HE3 MET 16 -5.159 -7.208 0.678 133 H LYS 17 H LYS 17 -5.880 -3.573 -6.567 134 HA LYS 17 HA LYS 17 -3.434 -3.984 -8.182 135 HB2 LYS 17 HB2 LYS 17 -6.199 -3.354 -8.961 136 HB3 LYS 17 HB3 LYS 17 -4.982 -2.314 -9.701 137 HG2 LYS 17 HG2 LYS 17 -3.960 -4.068 -10.821 138 HG3 LYS 17 HG3 LYS 17 -4.479 -5.266 -9.635 139 HD2 LYS 17 HD2 LYS 17 -5.810 -5.693 -11.557 140 HD3 LYS 17 HD3 LYS 17 -6.869 -4.807 -10.460 141 HE2 LYS 17 HE2 LYS 17 -6.199 -2.688 -11.657 142 HE3 LYS 17 HE3 LYS 17 -5.359 -3.693 -12.838 143 HZ1 LYS 17 HZ1 LYS 17 -7.591 -4.907 -13.012 144 HZ2 LYS 17 HZ2 LYS 17 -7.441 -3.391 -13.765 145 HZ3 LYS 17 HZ3 LYS 17 -8.250 -3.528 -12.277 146 H PHE 18 H PHE 18 -4.282 -2.402 -5.635 147 HA PHE 18 HA PHE 18 -2.811 0.032 -6.382 148 HB2 PHE 18 HB2 PHE 18 -5.321 0.145 -4.713 149 HB3 PHE 18 HB3 PHE 18 -4.389 1.494 -5.359 150 HD1 PHE 18 HD2 PHE 18 -6.545 -1.389 -6.303 151 HD2 PHE 18 HD1 PHE 18 -4.728 2.288 -7.581 152 HE1 PHE 18 HE2 PHE 18 -7.901 -1.439 -8.379 153 HE2 PHE 18 HE1 PHE 18 -6.085 2.237 -9.657 154 HZ PHE 18 HZ PHE 18 -7.671 0.373 -10.056 155 H CYS 19 H CYS 19 -1.302 0.523 -4.928 156 HA CYS 19 HA CYS 19 -1.309 -0.948 -2.383 157 HB2 CYS 19 HB2 CYS 19 1.022 0.664 -3.366 158 HB3 CYS 19 HB3 CYS 19 1.012 -0.787 -2.365 159 H TYR 20 H TYR 20 -1.250 0.112 -0.424 160 HA TYR 20 HA TYR 20 -1.495 3.051 -0.568 161 HB2 TYR 20 HB2 TYR 20 -3.136 2.993 1.181 162 HB3 TYR 20 HB3 TYR 20 -3.639 1.854 -0.066 163 HD1 TYR 20 HD2 TYR 20 -3.424 -0.579 0.279 164 HD2 TYR 20 HD1 TYR 20 -2.359 2.230 3.349 165 HE1 TYR 20 HE2 TYR 20 -3.414 -2.411 1.952 166 HE2 TYR 20 HE1 TYR 20 -2.349 0.400 5.021 167 HH TYR 20 HH TYR 20 -3.726 -2.143 4.968 168 H HIS 21 H HIS 21 -0.574 4.270 1.016 169 HA HIS 21 HA HIS 21 1.303 2.851 2.810 170 HB2 HIS 21 HB2 HIS 21 1.862 5.681 2.388 171 HB3 HIS 21 HB3 HIS 21 2.926 4.290 2.204 172 HD1 HIS 21 HD1 HIS 21 2.181 6.876 0.194 173 HD2 HIS 21 HD2 HIS 21 1.424 2.813 -0.336 174 HE1 HIS 21 HE1 HIS 21 1.889 6.521 -2.296 175 H ASN 22 H ASN 22 -0.307 2.663 4.450 176 HA ASN 22 HA ASN 22 -1.576 5.043 5.490 177 HB2 ASN 22 HB2 ASN 22 -2.827 2.996 5.601 178 HB3 ASN 22 HB3 ASN 22 -1.512 2.177 6.442 179 HD21 ASN 22 HD21 ASN 22 -4.446 3.055 7.211 180 HD22 ASN 22 HD22 ASN 22 -4.228 3.747 8.745 181 H THR 23 H THR 23 -0.891 6.310 7.084 182 HA THR 23 HA THR 23 1.515 5.473 8.585 183 HB THR 23 HB THR 23 1.290 8.207 8.919 184 HG1 THR 23 HG1 THR 23 -0.283 7.690 6.985 185 HG21 THR 23 HG21 THR 23 3.211 8.300 7.383 186 HG22 THR 23 HG22 THR 23 2.817 6.689 6.785 187 HG23 THR 23 HG23 THR 23 3.338 6.906 8.456 188 H GLY 24 H GLY 24 -1.788 6.391 8.776 189 HA2 GLY 24 HA2 GLY 24 -3.217 6.799 10.542 190 HA3 GLY 24 HA3 GLY 24 -2.233 5.599 11.374 191 H MET 25 H MET 25 -1.231 6.247 13.167 192 HA MET 25 HA MET 25 -0.822 9.150 13.561 193 HB2 MET 25 HB2 MET 25 -1.182 7.070 15.724 194 HB3 MET 25 HB3 MET 25 -1.180 8.824 15.910 195 HG2 MET 25 HG2 MET 25 -3.131 8.075 13.924 196 HG3 MET 25 HG3 MET 25 -3.410 7.154 15.401 197 HE1 MET 25 HE1 MET 25 -4.858 7.915 17.109 198 HE2 MET 25 HE2 MET 25 -4.647 9.446 17.956 199 HE3 MET 25 HE3 MET 25 -3.292 8.329 17.820 200 HA PRO 26 HA PRO 26 3.375 7.340 13.677 201 HB2 PRO 26 HB2 PRO 26 4.589 9.314 12.260 202 HB3 PRO 26 HB3 PRO 26 3.711 7.981 11.484 203 HG2 PRO 26 HG2 PRO 26 2.897 10.800 11.890 204 HG3 PRO 26 HG3 PRO 26 2.516 9.688 10.565 205 HD2 PRO 26 HD2 PRO 26 0.804 10.328 12.692 206 HD3 PRO 26 HD3 PRO 26 0.621 8.939 11.601 207 H PHE 27 H PHE 27 1.849 9.579 15.356 208 HA PHE 27 HA PHE 27 4.255 10.911 16.428 209 HB2 PHE 27 HB2 PHE 27 1.337 11.616 16.396 210 HB3 PHE 27 HB3 PHE 27 2.392 12.290 17.639 211 HD1 PHE 27 HD1 PHE 27 4.585 13.421 16.849 212 HD2 PHE 27 HD2 PHE 27 1.271 12.576 14.251 213 HE1 PHE 27 HE1 PHE 27 5.432 15.092 15.225 214 HE2 PHE 27 HE2 PHE 27 2.119 14.246 12.625 215 HZ PHE 27 HZ PHE 27 4.200 15.505 13.112 216 H ARG 28 H ARG 28 2.442 8.233 16.973 217 HA ARG 28 HA ARG 28 2.473 8.450 19.904 218 HB2 ARG 28 HB2 ARG 28 0.525 7.486 18.374 219 HB3 ARG 28 HB3 ARG 28 1.485 6.010 18.498 220 HG2 ARG 28 HG2 ARG 28 1.493 6.286 20.987 221 HG3 ARG 28 HG3 ARG 28 0.404 7.660 20.800 222 HD2 ARG 28 HD2 ARG 28 -0.705 5.547 19.276 223 HD3 ARG 28 HD3 ARG 28 -0.228 4.849 20.822 224 HE ARG 28 HE ARG 28 -2.249 6.924 20.399 225 HH11 ARG 28 HH21 ARG 28 -0.286 5.052 22.547 226 HH12 ARG 28 HH22 ARG 28 -1.278 5.349 23.935 227 HH21 ARG 28 HH11 ARG 28 -3.554 7.321 22.215 228 HH22 ARG 28 HH12 ARG 28 -3.127 6.635 23.748 229 H ASN 29 H ASN 29 3.688 6.394 17.272 230 HA ASN 29 HA ASN 29 5.942 5.623 18.984 231 HB2 ASN 29 HB2 ASN 29 3.915 3.910 18.942 232 HB3 ASN 29 HB3 ASN 29 4.646 3.446 17.407 233 HD21 ASN 29 HD21 ASN 29 4.917 1.388 18.974 234 HD22 ASN 29 HD22 ASN 29 6.407 1.313 19.785 235 H LEU 30 H LEU 30 4.510 6.175 15.900 236 HA LEU 30 HA LEU 30 5.447 6.581 13.842 237 HB2 LEU 30 HB2 LEU 30 7.209 7.728 15.276 238 HB3 LEU 30 HB3 LEU 30 8.149 6.241 15.147 239 HG LEU 30 HG LEU 30 7.131 7.135 12.557 240 HD11 LEU 30 HD11 LEU 30 9.140 8.912 13.969 241 HD12 LEU 30 HD12 LEU 30 7.448 9.344 13.722 242 HD13 LEU 30 HD13 LEU 30 8.510 9.114 12.333 243 HD21 LEU 30 HD21 LEU 30 9.603 6.891 12.041 244 HD22 LEU 30 HD22 LEU 30 8.844 5.449 12.715 245 HD23 LEU 30 HD23 LEU 30 9.843 6.480 13.738 246 H LYS 31 H LYS 31 6.873 3.958 15.731 247 HA LYS 31 HA LYS 31 7.610 2.460 13.354 248 HB2 LYS 31 HB2 LYS 31 8.864 2.442 15.593 249 HB3 LYS 31 HB3 LYS 31 7.564 1.401 16.176 250 HG2 LYS 31 HG2 LYS 31 8.042 0.027 13.997 251 HG3 LYS 31 HG3 LYS 31 9.596 0.860 14.028 252 HD2 LYS 31 HD2 LYS 31 8.422 -0.917 16.181 253 HD3 LYS 31 HD3 LYS 31 9.884 -1.203 15.235 254 HE2 LYS 31 HE2 LYS 31 10.655 1.096 16.247 255 HE3 LYS 31 HE3 LYS 31 9.431 0.755 17.469 256 HZ1 LYS 31 HZ1 LYS 31 11.733 -0.966 16.728 257 HZ2 LYS 31 HZ2 LYS 31 10.495 -1.432 17.792 258 HZ3 LYS 31 HZ3 LYS 31 11.514 -0.133 18.189 259 H LEU 32 H LEU 32 5.053 2.895 12.966 260 HA LEU 32 HA LEU 32 3.762 0.318 13.617 261 HB2 LEU 32 HB2 LEU 32 2.748 3.086 14.023 262 HB3 LEU 32 HB3 LEU 32 1.601 1.889 13.418 263 HG LEU 32 HG LEU 32 3.355 1.433 15.845 264 HD11 LEU 32 HD11 LEU 32 0.469 2.359 15.685 265 HD12 LEU 32 HD12 LEU 32 1.832 3.311 16.274 266 HD13 LEU 32 HD13 LEU 32 1.302 1.885 17.165 267 HD21 LEU 32 HD21 LEU 32 2.618 -0.680 15.517 268 HD22 LEU 32 HD22 LEU 32 1.480 -0.163 14.273 269 HD23 LEU 32 HD23 LEU 32 1.021 -0.092 15.974 270 H ILE 33 H ILE 33 5.256 0.922 11.290 271 HA ILE 33 HA ILE 33 4.052 1.904 9.065 272 HB ILE 33 HB ILE 33 5.720 -0.572 9.447 273 HG12 ILE 33 HG12 ILE 33 6.520 1.914 9.619 274 HG13 ILE 33 HG13 ILE 33 7.474 0.780 8.663 275 HG21 ILE 33 HG21 ILE 33 5.947 -0.370 6.859 276 HG22 ILE 33 HG22 ILE 33 4.400 0.472 6.948 277 HG23 ILE 33 HG23 ILE 33 4.532 -1.193 7.514 278 HD11 ILE 33 HD11 ILE 33 5.266 2.187 7.248 279 HD12 ILE 33 HD12 ILE 33 6.871 1.741 6.666 280 HD13 ILE 33 HD13 ILE 33 6.667 3.161 7.694 281 H LEU 34 H LEU 34 2.224 1.565 7.989 282 HA LEU 34 HA LEU 34 0.836 -1.025 8.334 283 HB2 LEU 34 HB2 LEU 34 -0.233 1.780 8.468 284 HB3 LEU 34 HB3 LEU 34 -1.280 0.450 7.977 285 HG LEU 34 HG LEU 34 0.385 0.011 10.404 286 HD11 LEU 34 HD11 LEU 34 -1.437 1.162 11.766 287 HD12 LEU 34 HD12 LEU 34 -1.952 1.932 10.265 288 HD13 LEU 34 HD13 LEU 34 -0.337 2.241 10.907 289 HD21 LEU 34 HD21 LEU 34 -1.260 -1.516 10.891 290 HD22 LEU 34 HD22 LEU 34 -1.553 -1.404 9.155 291 HD23 LEU 34 HD23 LEU 34 -2.547 -0.477 10.280 292 H GLN 35 H GLN 35 2.468 -1.002 6.297 293 HA GLN 35 HA GLN 35 1.229 0.101 3.911 294 HB2 GLN 35 HB2 GLN 35 3.828 -0.562 4.662 295 HB3 GLN 35 HB3 GLN 35 3.393 -1.784 3.473 296 HG2 GLN 35 HG2 GLN 35 4.265 -0.002 2.183 297 HG3 GLN 35 HG3 GLN 35 2.517 0.179 2.048 298 HE21 GLN 35 HE21 GLN 35 4.914 2.205 2.098 299 HE22 GLN 35 HE22 GLN 35 4.394 3.374 3.213 300 H GLY 36 H GLY 36 0.145 -1.035 2.361 301 HA2 GLY 36 HA2 GLY 36 0.143 -3.875 2.141 302 HA3 GLY 36 HA3 GLY 36 -1.296 -3.325 2.995 303 H CYS 37 H CYS 37 -2.124 -4.476 0.909 304 HA CYS 37 HA CYS 37 -2.376 -2.449 -1.231 305 HB2 CYS 37 HB2 CYS 37 -3.079 -5.245 -1.863 306 HB3 CYS 37 HB3 CYS 37 -2.209 -4.053 -2.827 307 H SER 38 H SER 38 -4.438 -2.620 -2.472 308 HA SER 38 HA SER 38 -6.725 -3.778 -1.134 309 HB2 SER 38 HB2 SER 38 -6.007 -1.384 -0.107 310 HB3 SER 38 HB3 SER 38 -7.027 -0.847 -1.437 311 HG SER 38 HG SER 38 -7.698 -2.711 0.602 312 H SER 39 H SER 39 -8.772 -3.217 -2.301 313 HA SER 39 HA SER 39 -8.215 -3.018 -5.186 314 HB2 SER 39 HB2 SER 39 -10.901 -3.668 -4.854 315 HB3 SER 39 HB3 SER 39 -9.596 -4.789 -5.229 316 HG SER 39 HG SER 39 -9.969 -5.611 -3.341 317 H SER 40 H SER 40 -10.391 -1.758 -2.674 318 HA SER 40 HA SER 40 -11.069 0.487 -4.472 319 HB2 SER 40 HB2 SER 40 -12.819 -1.157 -3.242 320 HB3 SER 40 HB3 SER 40 -12.623 0.057 -1.982 321 HG SER 40 HG SER 40 -13.283 0.527 -4.707 322 H CYS 41 H CYS 41 -8.643 0.745 -3.419 323 HA CYS 41 HA CYS 41 -8.066 1.637 -0.954 324 HB2 CYS 41 HB2 CYS 41 -6.207 2.020 -2.161 325 HB3 CYS 41 HB3 CYS 41 -7.125 2.295 -3.638 326 H SER 42 H SER 42 -7.747 3.945 -0.191 327 HA SER 42 HA SER 42 -9.932 5.747 -0.956 328 HB2 SER 42 HB2 SER 42 -10.896 4.472 0.870 329 HB3 SER 42 HB3 SER 42 -9.457 4.722 1.854 330 HG SER 42 HG SER 42 -9.988 6.801 2.126 331 H GLU 43 H GLU 43 -7.551 6.371 -1.768 332 HA GLU 43 HA GLU 43 -5.495 7.378 -0.449 333 HB2 GLU 43 HB2 GLU 43 -6.239 7.818 -2.904 334 HB3 GLU 43 HB3 GLU 43 -6.927 9.307 -2.255 335 HG2 GLU 43 HG2 GLU 43 -4.317 9.063 -1.158 336 HG3 GLU 43 HG3 GLU 43 -4.180 8.728 -2.884 337 H THR 44 H THR 44 -4.912 9.104 0.853 338 HA THR 44 HA THR 44 -6.744 11.165 1.625 339 HB THR 44 HB THR 44 -6.091 9.624 4.034 340 HG1 THR 44 HG1 THR 44 -6.632 8.030 2.344 341 HG21 THR 44 HG21 THR 44 -7.549 11.619 3.981 342 HG22 THR 44 HG22 THR 44 -8.424 10.200 4.557 343 HG23 THR 44 HG23 THR 44 -8.659 10.771 2.905 344 H GLU 45 H GLU 45 -5.760 12.008 3.973 345 HA GLU 45 HA GLU 45 -3.090 12.863 3.259 346 HB2 GLU 45 HB2 GLU 45 -3.267 14.206 5.362 347 HB3 GLU 45 HB3 GLU 45 -4.590 14.495 4.232 348 HG2 GLU 45 HG2 GLU 45 -6.117 13.761 5.716 349 HG3 GLU 45 HG3 GLU 45 -5.207 12.280 6.004 350 H ASN 46 H ASN 46 -4.579 10.670 5.558 351 HA ASN 46 HA ASN 46 -1.980 10.115 6.805 352 HB2 ASN 46 HB2 ASN 46 -4.541 10.307 7.842 353 HB3 ASN 46 HB3 ASN 46 -4.283 8.568 7.729 354 HD21 ASN 46 HD21 ASN 46 -1.237 9.179 8.034 355 HD22 ASN 46 HD22 ASN 46 -1.054 9.402 9.706 356 H ASN 47 H ASN 47 -4.166 8.953 4.458 357 HA ASN 47 HA ASN 47 -2.617 6.456 4.208 358 HB2 ASN 47 HB2 ASN 47 -4.561 5.510 4.984 359 HB3 ASN 47 HB3 ASN 47 -5.564 6.837 4.403 360 HD21 ASN 47 HD21 ASN 47 -6.992 5.942 2.905 361 HD22 ASN 47 HD22 ASN 47 -6.543 4.887 1.653 362 H LYS 48 H LYS 48 -1.478 6.719 2.387 363 HA LYS 48 HA LYS 48 -2.668 8.196 0.147 364 HB2 LYS 48 HB2 LYS 48 0.143 7.119 0.439 365 HB3 LYS 48 HB3 LYS 48 -0.430 8.272 -0.766 366 HG2 LYS 48 HG2 LYS 48 0.066 9.940 0.668 367 HG3 LYS 48 HG3 LYS 48 -1.192 9.330 1.743 368 HD2 LYS 48 HD2 LYS 48 0.376 7.897 2.886 369 HD3 LYS 48 HD3 LYS 48 1.640 8.258 1.710 370 HE2 LYS 48 HE2 LYS 48 1.870 9.548 3.852 371 HE3 LYS 48 HE3 LYS 48 1.721 10.575 2.425 372 HZ1 LYS 48 HZ1 LYS 48 -0.223 11.377 3.121 373 HZ2 LYS 48 HZ2 LYS 48 0.189 10.751 4.645 374 HZ3 LYS 48 HZ3 LYS 48 -0.803 9.857 3.596 375 H CYS 49 H CYS 49 -2.061 7.262 -2.097 376 HA CYS 49 HA CYS 49 -2.215 4.328 -2.156 377 HB2 CYS 49 HB2 CYS 49 -4.291 6.219 -3.225 378 HB3 CYS 49 HB3 CYS 49 -4.065 4.617 -3.928 379 H CYS 50 H CYS 50 -1.256 3.408 -3.885 380 HA CYS 50 HA CYS 50 -0.412 5.141 -6.113 381 HB2 CYS 50 HB2 CYS 50 1.386 4.638 -4.260 382 HB3 CYS 50 HB3 CYS 50 1.477 3.073 -5.064 383 H SER 51 H SER 51 0.102 3.985 -8.055 384 HA SER 51 HA SER 51 -1.080 1.276 -8.164 385 HB2 SER 51 HB2 SER 51 -2.664 2.446 -9.360 386 HB3 SER 51 HB3 SER 51 -1.517 3.676 -9.883 387 HG SER 51 HG SER 51 -2.084 2.289 -11.596 388 H THR 52 H THR 52 1.745 2.281 -7.886 389 HA THR 52 HA THR 52 2.857 1.073 -10.347 390 HB THR 52 HB THR 52 4.555 2.724 -8.530 391 HG1 THR 52 HG1 THR 52 3.785 4.509 -9.989 392 HG21 THR 52 HG21 THR 52 5.616 3.301 -10.658 393 HG22 THR 52 HG22 THR 52 4.345 2.458 -11.542 394 HG23 THR 52 HG23 THR 52 5.462 1.550 -10.522 395 H ASP 53 H ASP 53 4.868 -0.167 -10.042 396 HA ASP 53 HA ASP 53 4.601 -1.971 -7.795 397 HB2 ASP 53 HB2 ASP 53 7.001 -2.440 -9.291 398 HB3 ASP 53 HB3 ASP 53 5.533 -3.413 -9.231 399 H ARG 54 H ARG 54 5.712 -1.902 -5.941 400 HA ARG 54 HA ARG 54 7.258 -1.292 -4.353 401 HB2 ARG 54 HB2 ARG 54 9.079 -0.364 -6.566 402 HB3 ARG 54 HB3 ARG 54 9.508 -1.056 -5.001 403 HG2 ARG 54 HG2 ARG 54 8.291 -3.178 -5.794 404 HG3 ARG 54 HG3 ARG 54 8.345 -2.465 -7.406 405 HD2 ARG 54 HD2 ARG 54 10.740 -2.402 -7.391 406 HD3 ARG 54 HD3 ARG 54 10.803 -2.798 -5.677 407 HE ARG 54 HE ARG 54 9.466 -4.846 -7.154 408 HH11 ARG 54 HH21 ARG 54 12.554 -3.476 -6.415 409 HH12 ARG 54 HH22 ARG 54 13.422 -4.957 -6.651 410 HH21 ARG 54 HH11 ARG 54 10.592 -6.791 -7.465 411 HH22 ARG 54 HH12 ARG 54 12.310 -6.835 -7.246 412 H CYS 55 H CYS 55 5.254 0.543 -5.264 413 HA CYS 55 HA CYS 55 6.402 3.171 -5.509 414 HB2 CYS 55 HB2 CYS 55 4.085 2.309 -6.323 415 HB3 CYS 55 HB3 CYS 55 3.574 2.620 -4.664 416 H ASN 56 H ASN 56 4.949 1.247 -2.930 417 HA ASN 56 HA ASN 56 5.135 3.372 -0.985 418 HB2 ASN 56 HB2 ASN 56 4.509 1.508 0.611 419 HB3 ASN 56 HB3 ASN 56 3.353 1.815 -0.683 420 HD21 ASN 56 HD21 ASN 56 6.187 0.330 -1.886 421 HD22 ASN 56 HD22 ASN 56 5.603 -1.263 -1.949 422 H LYS 57 H LYS 57 6.185 2.618 1.218 423 HA LYS 57 HA LYS 57 8.463 0.989 1.250 424 HB2 LYS 57 HB2 LYS 57 9.426 2.529 -0.371 425 HB3 LYS 57 HB3 LYS 57 9.045 3.903 0.669 426 HG2 LYS 57 HG2 LYS 57 11.430 3.165 0.859 427 HG3 LYS 57 HG3 LYS 57 10.558 3.082 2.391 428 HD2 LYS 57 HD2 LYS 57 10.372 0.736 2.302 429 HD3 LYS 57 HD3 LYS 57 10.694 0.685 0.570 430 HE2 LYS 57 HE2 LYS 57 13.015 1.700 1.228 431 HE3 LYS 57 HE3 LYS 57 12.626 1.097 2.839 432 HZ1 LYS 57 HZ1 LYS 57 12.930 -1.007 2.207 433 HZ2 LYS 57 HZ2 LYS 57 13.764 -0.356 0.877 434 HZ3 LYS 57 HZ3 LYS 57 12.130 -0.795 0.727 Start of MODEL 13 1 H1 LEU 1 H1 LEU 1 2.434 -6.891 -11.158 2 H2 LEU 1 H2 LEU 1 3.568 -6.240 -10.073 3 H3 LEU 1 H3 LEU 1 2.859 -5.252 -11.261 4 HA LEU 1 HA LEU 1 1.472 -4.631 -9.638 5 HB2 LEU 1 HB2 LEU 1 0.394 -7.433 -10.079 6 HB3 LEU 1 HB3 LEU 1 -0.518 -6.034 -9.511 7 HG LEU 1 HG LEU 1 0.949 -5.876 -12.127 8 HD11 LEU 1 HD11 LEU 1 -0.266 -7.819 -12.604 9 HD12 LEU 1 HD12 LEU 1 -1.400 -6.555 -13.081 10 HD13 LEU 1 HD13 LEU 1 -1.592 -7.371 -11.530 11 HD21 LEU 1 HD21 LEU 1 -0.106 -3.874 -11.055 12 HD22 LEU 1 HD22 LEU 1 -1.665 -4.694 -11.135 13 HD23 LEU 1 HD23 LEU 1 -0.818 -4.265 -12.621 14 H LYS 2 H LYS 2 2.712 -4.419 -7.774 15 HA LYS 2 HA LYS 2 2.079 -6.195 -5.628 16 HB2 LYS 2 HB2 LYS 2 4.453 -6.838 -5.122 17 HB3 LYS 2 HB3 LYS 2 3.787 -7.613 -6.559 18 HG2 LYS 2 HG2 LYS 2 5.342 -5.031 -6.736 19 HG3 LYS 2 HG3 LYS 2 6.152 -6.598 -6.754 20 HD2 LYS 2 HD2 LYS 2 4.302 -7.116 -8.614 21 HD3 LYS 2 HD3 LYS 2 4.364 -5.363 -8.804 22 HE2 LYS 2 HE2 LYS 2 7.026 -5.969 -8.671 23 HE3 LYS 2 HE3 LYS 2 6.391 -7.402 -9.478 24 HZ1 LYS 2 HZ1 LYS 2 6.137 -4.576 -10.324 25 HZ2 LYS 2 HZ2 LYS 2 5.187 -5.819 -10.986 26 HZ3 LYS 2 HZ3 LYS 2 6.877 -5.854 -11.160 27 H CYS 3 H CYS 3 3.742 -5.605 -3.707 28 HA CYS 3 HA CYS 3 4.810 -2.975 -3.671 29 HB2 CYS 3 HB2 CYS 3 2.732 -2.593 -1.808 30 HB3 CYS 3 HB3 CYS 3 2.969 -1.740 -3.331 31 H TYR 4 H TYR 4 5.027 -2.236 -1.247 32 HA TYR 4 HA TYR 4 6.285 -4.433 0.141 33 HB2 TYR 4 HB2 TYR 4 6.021 -1.481 0.656 34 HB3 TYR 4 HB3 TYR 4 6.680 -2.562 1.882 35 HD1 TYR 4 HD2 TYR 4 8.385 -4.403 0.748 36 HD2 TYR 4 HD1 TYR 4 7.611 -0.422 -0.666 37 HE1 TYR 4 HE2 TYR 4 10.566 -4.396 -0.421 38 HE2 TYR 4 HE1 TYR 4 9.798 -0.414 -1.835 39 HH TYR 4 HH TYR 4 11.392 -2.128 -2.761 40 H GLN 5 H GLN 5 4.514 -5.775 0.611 41 HA GLN 5 HA GLN 5 2.398 -4.748 2.338 42 HB2 GLN 5 HB2 GLN 5 2.290 -6.573 0.386 43 HB3 GLN 5 HB3 GLN 5 2.630 -7.651 1.741 44 HG2 GLN 5 HG2 GLN 5 0.737 -6.239 2.930 45 HG3 GLN 5 HG3 GLN 5 0.249 -5.895 1.272 46 HE21 GLN 5 HE21 GLN 5 0.174 -8.280 3.777 47 HE22 GLN 5 HE22 GLN 5 -0.525 -9.526 2.862 48 H HIS 6 H HIS 6 5.046 -7.120 2.491 49 HA HIS 6 HA HIS 6 4.806 -7.026 5.437 50 HB2 HIS 6 HB2 HIS 6 4.533 -9.279 3.738 51 HB3 HIS 6 HB3 HIS 6 6.081 -9.449 4.567 52 HD1 HIS 6 HD1 HIS 6 2.387 -9.022 5.278 53 HD2 HIS 6 HD2 HIS 6 5.886 -10.015 7.314 54 HE1 HIS 6 HE1 HIS 6 1.678 -9.806 7.578 55 H GLY 7 H GLY 7 6.424 -5.289 3.860 56 HA2 GLY 7 HA2 GLY 7 8.536 -4.378 4.309 57 HA3 GLY 7 HA3 GLY 7 9.018 -5.906 5.040 58 H LYS 8 H LYS 8 7.631 -6.892 2.300 59 HA LYS 8 HA LYS 8 9.976 -6.419 0.580 60 HB2 LYS 8 HB2 LYS 8 8.877 -9.156 0.487 61 HB3 LYS 8 HB3 LYS 8 10.551 -8.606 0.405 62 HG2 LYS 8 HG2 LYS 8 10.488 -8.150 2.854 63 HG3 LYS 8 HG3 LYS 8 8.852 -8.810 2.908 64 HD2 LYS 8 HD2 LYS 8 10.026 -10.725 3.428 65 HD3 LYS 8 HD3 LYS 8 10.047 -10.857 1.669 66 HE2 LYS 8 HE2 LYS 8 12.303 -11.193 2.696 67 HE3 LYS 8 HE3 LYS 8 12.255 -9.836 1.572 68 HZ1 LYS 8 HZ1 LYS 8 13.226 -9.661 4.037 69 HZ2 LYS 8 HZ2 LYS 8 11.612 -9.222 4.336 70 HZ3 LYS 8 HZ3 LYS 8 12.540 -8.347 3.214 71 H VAL 9 H VAL 9 9.372 -5.809 -1.390 72 HA VAL 9 HA VAL 9 6.824 -5.351 -2.267 73 HB VAL 9 HB VAL 9 9.055 -6.291 -4.082 74 HG11 VAL 9 HG11 VAL 9 7.894 -5.267 -5.791 75 HG12 VAL 9 HG12 VAL 9 7.155 -4.078 -4.718 76 HG13 VAL 9 HG13 VAL 9 6.529 -5.725 -4.771 77 HG21 VAL 9 HG21 VAL 9 8.579 -3.644 -2.695 78 HG22 VAL 9 HG22 VAL 9 9.556 -3.776 -4.157 79 HG23 VAL 9 HG23 VAL 9 10.046 -4.624 -2.691 80 H VAL 10 H VAL 10 5.294 -6.904 -1.886 81 HA VAL 10 HA VAL 10 5.644 -9.463 -3.335 82 HB VAL 10 HB VAL 10 4.069 -10.408 -1.595 83 HG11 VAL 10 HG11 VAL 10 6.872 -9.503 -1.175 84 HG12 VAL 10 HG12 VAL 10 6.200 -11.133 -1.146 85 HG13 VAL 10 HG13 VAL 10 6.011 -10.077 0.253 86 HG21 VAL 10 HG21 VAL 10 4.002 -9.105 0.555 87 HG22 VAL 10 HG22 VAL 10 3.115 -8.335 -0.760 88 HG23 VAL 10 HG23 VAL 10 4.711 -7.739 -0.303 89 H THR 11 H THR 11 3.803 -10.361 -4.334 90 HA THR 11 HA THR 11 1.960 -8.396 -5.377 91 HB THR 11 HB THR 11 1.884 -11.385 -5.803 92 HG1 THR 11 HG1 THR 11 3.205 -10.863 -7.639 93 HG21 THR 11 HG21 THR 11 0.501 -9.045 -6.887 94 HG22 THR 11 HG22 THR 11 0.080 -10.753 -7.006 95 HG23 THR 11 HG23 THR 11 1.232 -10.048 -8.139 96 H CYS 12 H CYS 12 0.362 -7.734 -4.077 97 HA CYS 12 HA CYS 12 -0.743 -9.147 -1.928 98 HB2 CYS 12 HB2 CYS 12 -1.407 -6.709 -3.445 99 HB3 CYS 12 HB3 CYS 12 -2.771 -7.475 -2.630 100 H HIS 13 H HIS 13 -3.471 -9.059 -2.175 101 HA HIS 13 HA HIS 13 -4.143 -11.552 -3.173 102 HB2 HIS 13 HB2 HIS 13 -5.728 -9.091 -2.526 103 HB3 HIS 13 HB3 HIS 13 -6.526 -10.485 -3.248 104 HD1 HIS 13 HD1 HIS 13 -3.672 -10.685 -0.768 105 HD2 HIS 13 HD2 HIS 13 -7.765 -11.467 -0.929 106 HE1 HIS 13 HE1 HIS 13 -4.258 -11.887 1.383 107 H ARG 14 H ARG 14 -5.964 -11.833 -4.874 108 HA ARG 14 HA ARG 14 -4.897 -10.860 -7.409 109 HB2 ARG 14 HB2 ARG 14 -5.807 -13.289 -6.691 110 HB3 ARG 14 HB3 ARG 14 -7.301 -12.603 -7.329 111 HG2 ARG 14 HG2 ARG 14 -6.250 -12.118 -9.452 112 HG3 ARG 14 HG3 ARG 14 -4.666 -12.575 -8.825 113 HD2 ARG 14 HD2 ARG 14 -5.350 -14.878 -8.584 114 HD3 ARG 14 HD3 ARG 14 -7.021 -14.474 -8.969 115 HE ARG 14 HE ARG 14 -6.442 -14.595 -11.205 116 HH11 ARG 14 HH21 ARG 14 -3.643 -14.041 -9.250 117 HH12 ARG 14 HH22 ARG 14 -2.528 -14.138 -10.573 118 HH21 ARG 14 HH11 ARG 14 -4.989 -14.725 -12.946 119 HH22 ARG 14 HH12 ARG 14 -3.291 -14.525 -12.667 120 H ASP 15 H ASP 15 -6.957 -9.594 -5.238 121 HA ASP 15 HA ASP 15 -8.797 -8.527 -7.292 122 HB2 ASP 15 HB2 ASP 15 -9.209 -8.480 -4.299 123 HB3 ASP 15 HB3 ASP 15 -10.395 -8.133 -5.556 124 H MET 16 H MET 16 -6.359 -7.747 -4.957 125 HA MET 16 HA MET 16 -6.966 -4.908 -4.964 126 HB2 MET 16 HB2 MET 16 -4.794 -6.578 -3.697 127 HB3 MET 16 HB3 MET 16 -4.845 -4.820 -3.583 128 HG2 MET 16 HG2 MET 16 -7.169 -5.004 -2.658 129 HG3 MET 16 HG3 MET 16 -6.972 -6.755 -2.637 130 HE1 MET 16 HE1 MET 16 -7.800 -6.563 -0.583 131 HE2 MET 16 HE2 MET 16 -7.285 -5.487 0.713 132 HE3 MET 16 HE3 MET 16 -6.646 -7.127 0.633 133 H LYS 17 H LYS 17 -6.235 -3.531 -6.428 134 HA LYS 17 HA LYS 17 -3.870 -4.298 -8.033 135 HB2 LYS 17 HB2 LYS 17 -6.207 -2.559 -8.859 136 HB3 LYS 17 HB3 LYS 17 -4.830 -2.998 -9.870 137 HG2 LYS 17 HG2 LYS 17 -5.452 -5.423 -9.497 138 HG3 LYS 17 HG3 LYS 17 -6.938 -4.851 -8.738 139 HD2 LYS 17 HD2 LYS 17 -7.599 -3.706 -10.782 140 HD3 LYS 17 HD3 LYS 17 -6.067 -4.127 -11.550 141 HE2 LYS 17 HE2 LYS 17 -7.716 -5.704 -12.328 142 HE3 LYS 17 HE3 LYS 17 -6.661 -6.557 -11.200 143 HZ1 LYS 17 HZ1 LYS 17 -8.376 -6.967 -9.885 144 HZ2 LYS 17 HZ2 LYS 17 -9.409 -6.298 -11.056 145 HZ3 LYS 17 HZ3 LYS 17 -8.790 -5.324 -9.809 146 H PHE 18 H PHE 18 -5.017 -2.182 -5.712 147 HA PHE 18 HA PHE 18 -3.061 -0.099 -6.491 148 HB2 PHE 18 HB2 PHE 18 -5.462 0.228 -4.683 149 HB3 PHE 18 HB3 PHE 18 -4.394 1.502 -5.270 150 HD1 PHE 18 HD1 PHE 18 -6.990 -0.950 -6.244 151 HD2 PHE 18 HD2 PHE 18 -4.566 2.358 -7.520 152 HE1 PHE 18 HE1 PHE 18 -8.380 -0.719 -8.284 153 HE2 PHE 18 HE2 PHE 18 -5.957 2.589 -9.561 154 HZ PHE 18 HZ PHE 18 -7.864 1.050 -9.943 155 H CYS 19 H CYS 19 -1.467 0.408 -5.116 156 HA CYS 19 HA CYS 19 -1.351 -1.087 -2.574 157 HB2 CYS 19 HB2 CYS 19 0.907 0.234 -4.102 158 HB3 CYS 19 HB3 CYS 19 1.062 -0.816 -2.695 159 H TYR 20 H TYR 20 -0.772 0.034 -0.644 160 HA TYR 20 HA TYR 20 -0.633 2.954 -0.848 161 HB2 TYR 20 HB2 TYR 20 -2.385 3.300 0.783 162 HB3 TYR 20 HB3 TYR 20 -3.030 2.330 -0.539 163 HD1 TYR 20 HD1 TYR 20 -1.572 2.119 2.883 164 HD2 TYR 20 HD2 TYR 20 -3.899 0.158 -0.148 165 HE1 TYR 20 HE1 TYR 20 -2.166 0.333 4.494 166 HE2 TYR 20 HE2 TYR 20 -4.493 -1.627 1.466 167 HH TYR 20 HH TYR 20 -4.252 -1.373 4.664 168 H HIS 21 H HIS 21 0.025 4.005 1.129 169 HA HIS 21 HA HIS 21 1.529 2.235 2.961 170 HB2 HIS 21 HB2 HIS 21 2.786 3.744 1.168 171 HB3 HIS 21 HB3 HIS 21 2.509 4.993 2.379 172 HD1 HIS 21 HD1 HIS 21 5.095 2.867 1.487 173 HD2 HIS 21 HD2 HIS 21 3.198 3.542 5.137 174 HE1 HIS 21 HE1 HIS 21 6.704 2.094 3.284 175 H ASN 22 H ASN 22 -0.196 2.343 4.474 176 HA ASN 22 HA ASN 22 -1.355 4.777 5.351 177 HB2 ASN 22 HB2 ASN 22 -1.378 1.954 6.191 178 HB3 ASN 22 HB3 ASN 22 -1.633 3.109 7.498 179 HD21 ASN 22 HD21 ASN 22 -2.704 2.892 4.046 180 HD22 ASN 22 HD22 ASN 22 -4.333 3.221 4.390 181 H THR 23 H THR 23 -0.810 6.183 6.938 182 HA THR 23 HA THR 23 1.789 5.734 8.276 183 HB THR 23 HB THR 23 1.700 8.290 8.535 184 HG1 THR 23 HG1 THR 23 -0.543 8.388 7.932 185 HG21 THR 23 HG21 THR 23 2.561 8.619 6.241 186 HG22 THR 23 HG22 THR 23 1.893 7.055 5.774 187 HG23 THR 23 HG23 THR 23 3.195 7.137 6.960 188 H GLY 24 H GLY 24 -1.590 6.271 8.720 189 HA2 GLY 24 HA2 GLY 24 -2.908 6.365 10.607 190 HA3 GLY 24 HA3 GLY 24 -1.554 5.629 11.462 191 H MET 25 H MET 25 -2.452 7.097 13.199 192 HA MET 25 HA MET 25 -2.353 9.873 13.115 193 HB2 MET 25 HB2 MET 25 -1.675 8.070 15.452 194 HB3 MET 25 HB3 MET 25 -2.100 9.779 15.559 195 HG2 MET 25 HG2 MET 25 -4.289 9.242 14.453 196 HG3 MET 25 HG3 MET 25 -3.867 7.532 14.550 197 HE1 MET 25 HE1 MET 25 -6.237 8.431 15.264 198 HE2 MET 25 HE2 MET 25 -6.614 9.168 16.821 199 HE3 MET 25 HE3 MET 25 -6.492 7.415 16.690 200 HA PRO 26 HA PRO 26 1.969 10.723 12.735 201 HB2 PRO 26 HB2 PRO 26 2.003 13.292 13.659 202 HB3 PRO 26 HB3 PRO 26 1.356 12.841 12.070 203 HG2 PRO 26 HG2 PRO 26 -0.085 13.446 14.600 204 HG3 PRO 26 HG3 PRO 26 -0.511 13.855 12.929 205 HD2 PRO 26 HD2 PRO 26 -1.654 11.772 14.320 206 HD3 PRO 26 HD3 PRO 26 -1.521 11.820 12.548 207 H PHE 27 H PHE 27 3.308 9.664 14.109 208 HA PHE 27 HA PHE 27 3.559 10.712 16.857 209 HB2 PHE 27 HB2 PHE 27 3.016 7.936 15.971 210 HB3 PHE 27 HB3 PHE 27 4.228 8.126 17.239 211 HD1 PHE 27 HD2 PHE 27 0.719 8.944 16.295 212 HD2 PHE 27 HD1 PHE 27 3.613 8.720 19.461 213 HE1 PHE 27 HE2 PHE 27 -1.078 9.311 17.964 214 HE2 PHE 27 HE1 PHE 27 1.816 9.087 21.130 215 HZ PHE 27 HZ PHE 27 -0.529 9.382 20.382 216 H ARG 28 H ARG 28 5.668 9.451 17.806 217 HA ARG 28 HA ARG 28 7.787 9.789 15.767 218 HB2 ARG 28 HB2 ARG 28 8.211 10.436 18.672 219 HB3 ARG 28 HB3 ARG 28 9.129 10.982 17.267 220 HG2 ARG 28 HG2 ARG 28 6.559 11.883 16.733 221 HG3 ARG 28 HG3 ARG 28 6.724 12.132 18.472 222 HD2 ARG 28 HD2 ARG 28 8.721 13.441 18.172 223 HD3 ARG 28 HD3 ARG 28 8.807 13.023 16.463 224 HE ARG 28 HE ARG 28 7.233 14.678 16.038 225 HH11 ARG 28 HH21 ARG 28 7.317 13.864 19.400 226 HH12 ARG 28 HH22 ARG 28 6.242 15.136 19.877 227 HH21 ARG 28 HH11 ARG 28 5.821 16.348 16.655 228 HH22 ARG 28 HH12 ARG 28 5.395 16.542 18.323 229 H ASN 29 H ASN 29 6.267 7.602 17.670 230 HA ASN 29 HA ASN 29 8.296 6.186 18.983 231 HB2 ASN 29 HB2 ASN 29 6.773 4.377 19.108 232 HB3 ASN 29 HB3 ASN 29 5.767 5.824 19.110 233 HD21 ASN 29 HD21 ASN 29 4.426 3.615 18.289 234 HD22 ASN 29 HD22 ASN 29 4.246 3.581 16.602 235 H LEU 30 H LEU 30 7.670 6.574 15.635 236 HA LEU 30 HA LEU 30 8.646 5.700 13.747 237 HB2 LEU 30 HB2 LEU 30 10.668 6.304 15.366 238 HB3 LEU 30 HB3 LEU 30 10.887 4.554 15.346 239 HG LEU 30 HG LEU 30 10.605 4.834 12.745 240 HD11 LEU 30 HD11 LEU 30 11.279 6.954 11.870 241 HD12 LEU 30 HD12 LEU 30 11.733 7.548 13.467 242 HD13 LEU 30 HD13 LEU 30 10.032 7.303 13.068 243 HD21 LEU 30 HD21 LEU 30 13.046 5.123 12.550 244 HD22 LEU 30 HD22 LEU 30 12.655 4.064 13.903 245 HD23 LEU 30 HD23 LEU 30 13.112 5.740 14.201 246 H LYS 31 H LYS 31 6.726 4.073 15.012 247 HA LYS 31 HA LYS 31 7.544 1.478 13.972 248 HB2 LYS 31 HB2 LYS 31 7.382 2.053 16.825 249 HB3 LYS 31 HB3 LYS 31 6.296 0.748 16.353 250 HG2 LYS 31 HG2 LYS 31 9.119 0.769 15.326 251 HG3 LYS 31 HG3 LYS 31 8.787 0.189 16.958 252 HD2 LYS 31 HD2 LYS 31 6.964 -0.854 14.879 253 HD3 LYS 31 HD3 LYS 31 8.641 -1.378 14.724 254 HE2 LYS 31 HE2 LYS 31 7.296 -1.479 17.409 255 HE3 LYS 31 HE3 LYS 31 7.001 -2.761 16.234 256 HZ1 LYS 31 HZ1 LYS 31 9.027 -2.814 17.920 257 HZ2 LYS 31 HZ2 LYS 31 9.774 -1.968 16.650 258 HZ3 LYS 31 HZ3 LYS 31 9.113 -3.507 16.375 259 H LEU 32 H LEU 32 5.835 2.964 12.666 260 HA LEU 32 HA LEU 32 3.212 1.744 13.248 261 HB2 LEU 32 HB2 LEU 32 3.753 4.630 12.527 262 HB3 LEU 32 HB3 LEU 32 2.155 3.886 12.457 263 HG LEU 32 HG LEU 32 3.677 3.506 14.983 264 HD11 LEU 32 HD11 LEU 32 2.971 5.741 15.811 265 HD12 LEU 32 HD12 LEU 32 2.439 6.159 14.182 266 HD13 LEU 32 HD13 LEU 32 4.148 5.866 14.504 267 HD21 LEU 32 HD21 LEU 32 0.882 4.519 14.852 268 HD22 LEU 32 HD22 LEU 32 1.568 3.241 15.854 269 HD23 LEU 32 HD23 LEU 32 1.165 2.918 14.167 270 H ILE 33 H ILE 33 3.805 0.203 11.615 271 HA ILE 33 HA ILE 33 3.769 1.306 8.873 272 HB ILE 33 HB ILE 33 5.848 0.100 9.439 273 HG12 ILE 33 HG12 ILE 33 5.251 -1.879 7.648 274 HG13 ILE 33 HG13 ILE 33 3.938 -0.744 7.342 275 HG21 ILE 33 HG21 ILE 33 4.420 -2.506 9.530 276 HG22 ILE 33 HG22 ILE 33 4.300 -1.501 10.974 277 HG23 ILE 33 HG23 ILE 33 5.882 -1.993 10.372 278 HD11 ILE 33 HD11 ILE 33 5.491 1.054 6.921 279 HD12 ILE 33 HD12 ILE 33 6.002 -0.329 5.952 280 HD13 ILE 33 HD13 ILE 33 6.853 0.065 7.446 281 H LEU 34 H LEU 34 1.686 1.239 8.248 282 HA LEU 34 HA LEU 34 0.239 -1.320 8.579 283 HB2 LEU 34 HB2 LEU 34 -0.634 1.509 8.856 284 HB3 LEU 34 HB3 LEU 34 -1.767 0.395 8.088 285 HG LEU 34 HG LEU 34 -1.420 -1.169 10.042 286 HD11 LEU 34 HD11 LEU 34 -0.609 0.341 12.106 287 HD12 LEU 34 HD12 LEU 34 0.329 1.116 10.829 288 HD13 LEU 34 HD13 LEU 34 0.523 -0.608 11.144 289 HD21 LEU 34 HD21 LEU 34 -2.949 0.028 11.483 290 HD22 LEU 34 HD22 LEU 34 -3.346 0.460 9.819 291 HD23 LEU 34 HD23 LEU 34 -2.430 1.581 10.827 292 H GLN 35 H GLN 35 2.097 -0.225 6.456 293 HA GLN 35 HA GLN 35 0.704 0.447 4.125 294 HB2 GLN 35 HB2 GLN 35 2.696 -0.172 2.930 295 HB3 GLN 35 HB3 GLN 35 3.200 0.541 4.464 296 HG2 GLN 35 HG2 GLN 35 3.411 -1.737 5.427 297 HG3 GLN 35 HG3 GLN 35 2.977 -2.421 3.862 298 HE21 GLN 35 HE21 GLN 35 5.288 -3.405 4.263 299 HE22 GLN 35 HE22 GLN 35 6.594 -2.500 3.665 300 H GLY 36 H GLY 36 -0.389 -0.673 2.631 301 HA2 GLY 36 HA2 GLY 36 -0.154 -3.499 2.251 302 HA3 GLY 36 HA3 GLY 36 -1.626 -3.086 3.126 303 H CYS 37 H CYS 37 -2.233 -4.228 0.884 304 HA CYS 37 HA CYS 37 -2.612 -2.104 -1.131 305 HB2 CYS 37 HB2 CYS 37 -3.201 -4.939 -1.790 306 HB3 CYS 37 HB3 CYS 37 -2.492 -3.675 -2.791 307 H SER 38 H SER 38 -4.663 -2.332 -2.411 308 HA SER 38 HA SER 38 -6.936 -3.520 -1.067 309 HB2 SER 38 HB2 SER 38 -6.257 -1.060 -0.128 310 HB3 SER 38 HB3 SER 38 -7.341 -0.620 -1.444 311 HG SER 38 HG SER 38 -8.758 -1.026 0.099 312 H SER 39 H SER 39 -8.960 -3.160 -2.279 313 HA SER 39 HA SER 39 -8.408 -3.067 -5.150 314 HB2 SER 39 HB2 SER 39 -11.177 -3.516 -4.560 315 HB3 SER 39 HB3 SER 39 -10.003 -4.633 -5.252 316 HG SER 39 HG SER 39 -11.105 -4.772 -2.897 317 H SER 40 H SER 40 -10.000 -1.240 -2.647 318 HA SER 40 HA SER 40 -10.644 0.841 -4.638 319 HB2 SER 40 HB2 SER 40 -12.414 0.397 -2.258 320 HB3 SER 40 HB3 SER 40 -12.779 1.205 -3.779 321 HG SER 40 HG SER 40 -12.017 -1.419 -4.045 322 H CYS 41 H CYS 41 -8.342 0.535 -2.905 323 HA CYS 41 HA CYS 41 -8.111 1.716 -0.541 324 HB2 CYS 41 HB2 CYS 41 -6.232 1.201 -2.167 325 HB3 CYS 41 HB3 CYS 41 -6.511 2.795 -2.864 326 H SER 42 H SER 42 -8.851 3.462 0.469 327 HA SER 42 HA SER 42 -10.063 5.613 -1.108 328 HB2 SER 42 HB2 SER 42 -10.974 4.357 1.096 329 HB3 SER 42 HB3 SER 42 -10.117 5.696 1.857 330 HG SER 42 HG SER 42 -12.280 5.726 0.055 331 H GLU 43 H GLU 43 -7.973 6.435 -1.831 332 HA GLU 43 HA GLU 43 -5.784 7.254 -0.549 333 HB2 GLU 43 HB2 GLU 43 -7.459 8.964 -2.400 334 HB3 GLU 43 HB3 GLU 43 -5.801 9.345 -1.930 335 HG2 GLU 43 HG2 GLU 43 -6.248 6.589 -2.922 336 HG3 GLU 43 HG3 GLU 43 -6.428 7.870 -4.120 337 H THR 44 H THR 44 -5.113 8.746 0.939 338 HA THR 44 HA THR 44 -6.859 10.823 1.920 339 HB THR 44 HB THR 44 -6.144 9.300 4.253 340 HG1 THR 44 HG1 THR 44 -6.345 7.609 2.577 341 HG21 THR 44 HG21 THR 44 -7.894 10.923 4.326 342 HG22 THR 44 HG22 THR 44 -8.682 9.355 4.501 343 HG23 THR 44 HG23 THR 44 -8.721 10.193 2.950 344 H GLU 45 H GLU 45 -5.788 11.854 3.950 345 HA GLU 45 HA GLU 45 -3.081 12.489 3.232 346 HB2 GLU 45 HB2 GLU 45 -4.395 14.269 4.120 347 HB3 GLU 45 HB3 GLU 45 -4.860 13.315 5.529 348 HG2 GLU 45 HG2 GLU 45 -1.957 13.873 4.975 349 HG3 GLU 45 HG3 GLU 45 -2.953 15.085 5.780 350 H ASN 46 H ASN 46 -4.621 10.331 5.475 351 HA ASN 46 HA ASN 46 -2.093 9.819 6.878 352 HB2 ASN 46 HB2 ASN 46 -4.692 9.960 7.782 353 HB3 ASN 46 HB3 ASN 46 -4.432 8.224 7.633 354 HD21 ASN 46 HD21 ASN 46 -1.937 10.667 8.421 355 HD22 ASN 46 HD22 ASN 46 -1.610 10.059 9.972 356 H ASN 47 H ASN 47 -3.928 8.705 4.283 357 HA ASN 47 HA ASN 47 -2.285 6.290 4.093 358 HB2 ASN 47 HB2 ASN 47 -4.208 5.318 5.062 359 HB3 ASN 47 HB3 ASN 47 -5.298 6.341 4.126 360 HD21 ASN 47 HD21 ASN 47 -6.089 3.902 3.711 361 HD22 ASN 47 HD22 ASN 47 -5.448 3.181 2.314 362 H LYS 48 H LYS 48 -1.274 6.527 2.216 363 HA LYS 48 HA LYS 48 -2.723 7.813 -0.020 364 HB2 LYS 48 HB2 LYS 48 0.241 7.288 0.064 365 HB3 LYS 48 HB3 LYS 48 -0.640 8.457 -0.916 366 HG2 LYS 48 HG2 LYS 48 0.035 9.921 0.706 367 HG3 LYS 48 HG3 LYS 48 -1.375 9.290 1.554 368 HD2 LYS 48 HD2 LYS 48 -0.083 7.886 2.924 369 HD3 LYS 48 HD3 LYS 48 1.295 7.919 1.825 370 HE2 LYS 48 HE2 LYS 48 1.791 9.306 3.766 371 HE3 LYS 48 HE3 LYS 48 1.611 10.335 2.345 372 HZ1 LYS 48 HZ1 LYS 48 -0.738 10.667 3.025 373 HZ2 LYS 48 HZ2 LYS 48 0.393 11.306 4.120 374 HZ3 LYS 48 HZ3 LYS 48 -0.400 9.845 4.470 375 H CYS 49 H CYS 49 -3.051 6.770 -1.929 376 HA CYS 49 HA CYS 49 -2.163 3.948 -2.073 377 HB2 CYS 49 HB2 CYS 49 -4.472 4.994 -3.665 378 HB3 CYS 49 HB3 CYS 49 -4.172 3.364 -3.065 379 H CYS 50 H CYS 50 -0.849 3.393 -3.673 380 HA CYS 50 HA CYS 50 -0.424 5.296 -5.886 381 HB2 CYS 50 HB2 CYS 50 1.504 4.612 -4.341 382 HB3 CYS 50 HB3 CYS 50 1.407 3.027 -5.109 383 H SER 51 H SER 51 0.308 4.149 -7.964 384 HA SER 51 HA SER 51 -1.273 1.689 -8.381 385 HB2 SER 51 HB2 SER 51 -2.617 2.805 -9.788 386 HB3 SER 51 HB3 SER 51 -1.684 4.281 -9.556 387 HG SER 51 HG SER 51 -0.576 3.869 -11.326 388 H THR 52 H THR 52 1.649 2.331 -7.956 389 HA THR 52 HA THR 52 2.661 1.047 -10.421 390 HB THR 52 HB THR 52 4.557 2.606 -8.774 391 HG1 THR 52 HG1 THR 52 3.158 4.156 -10.547 392 HG21 THR 52 HG21 THR 52 5.442 3.175 -10.958 393 HG22 THR 52 HG22 THR 52 3.993 2.556 -11.750 394 HG23 THR 52 HG23 THR 52 5.096 1.447 -10.936 395 H ASP 53 H ASP 53 5.173 0.398 -9.623 396 HA ASP 53 HA ASP 53 4.649 -1.713 -7.670 397 HB2 ASP 53 HB2 ASP 53 7.279 -1.334 -9.056 398 HB3 ASP 53 HB3 ASP 53 6.488 -2.827 -8.554 399 H ARG 54 H ARG 54 6.028 -2.092 -5.860 400 HA ARG 54 HA ARG 54 6.823 -1.219 -3.847 401 HB2 ARG 54 HB2 ARG 54 9.125 0.074 -5.002 402 HB3 ARG 54 HB3 ARG 54 9.039 -1.444 -4.110 403 HG2 ARG 54 HG2 ARG 54 8.329 -2.597 -6.200 404 HG3 ARG 54 HG3 ARG 54 8.527 -1.080 -7.077 405 HD2 ARG 54 HD2 ARG 54 10.598 -2.905 -5.958 406 HD3 ARG 54 HD3 ARG 54 10.614 -1.969 -7.449 407 HE ARG 54 HE ARG 54 10.779 -0.013 -5.634 408 HH11 ARG 54 HH21 ARG 54 12.358 -3.087 -5.840 409 HH12 ARG 54 HH22 ARG 54 13.799 -2.555 -5.038 410 HH21 ARG 54 HH11 ARG 54 12.667 0.689 -4.580 411 HH22 ARG 54 HH12 ARG 54 13.974 -0.418 -4.327 412 H CYS 55 H CYS 55 5.068 0.623 -5.430 413 HA CYS 55 HA CYS 55 6.178 3.226 -4.592 414 HB2 CYS 55 HB2 CYS 55 5.538 3.218 -6.907 415 HB3 CYS 55 HB3 CYS 55 3.966 2.512 -6.525 416 H ASN 56 H ASN 56 4.359 0.881 -3.286 417 HA ASN 56 HA ASN 56 1.962 1.635 -2.415 418 HB2 ASN 56 HB2 ASN 56 2.686 0.925 -0.051 419 HB3 ASN 56 HB3 ASN 56 2.895 -0.251 -1.347 420 HD21 ASN 56 HD21 ASN 56 4.471 0.677 1.311 421 HD22 ASN 56 HD22 ASN 56 6.082 0.589 0.785 422 H LYS 57 H LYS 57 4.951 3.306 -1.647 423 HA LYS 57 HA LYS 57 4.456 4.944 0.416 424 HB2 LYS 57 HB2 LYS 57 5.489 5.826 -2.289 425 HB3 LYS 57 HB3 LYS 57 5.649 6.757 -0.799 426 HG2 LYS 57 HG2 LYS 57 6.552 3.924 -0.697 427 HG3 LYS 57 HG3 LYS 57 7.547 5.036 -1.639 428 HD2 LYS 57 HD2 LYS 57 7.657 6.565 0.313 429 HD3 LYS 57 HD3 LYS 57 6.713 5.410 1.254 430 HE2 LYS 57 HE2 LYS 57 8.600 4.301 1.769 431 HE3 LYS 57 HE3 LYS 57 8.869 3.977 0.056 432 HZ1 LYS 57 HZ1 LYS 57 10.455 5.500 1.629 433 HZ2 LYS 57 HZ2 LYS 57 9.511 6.668 0.832 434 HZ3 LYS 57 HZ3 LYS 57 10.423 5.550 -0.067 Start of MODEL 14 1 H1 LEU 1 H1 LEU 1 1.649 -7.233 -10.344 2 H2 LEU 1 H2 LEU 1 2.920 -7.183 -11.471 3 H3 LEU 1 H3 LEU 1 1.632 -6.080 -11.588 4 HA LEU 1 HA LEU 1 3.962 -5.484 -10.468 5 HB2 LEU 1 HB2 LEU 1 2.716 -3.660 -9.309 6 HB3 LEU 1 HB3 LEU 1 2.185 -3.885 -10.976 7 HG LEU 1 HG LEU 1 0.610 -5.648 -9.442 8 HD11 LEU 1 HD11 LEU 1 -0.415 -4.130 -7.784 9 HD12 LEU 1 HD12 LEU 1 0.775 -2.891 -8.185 10 HD13 LEU 1 HD13 LEU 1 1.291 -4.398 -7.428 11 HD21 LEU 1 HD21 LEU 1 0.080 -2.938 -10.693 12 HD22 LEU 1 HD22 LEU 1 -1.199 -3.974 -10.058 13 HD23 LEU 1 HD23 LEU 1 -0.209 -4.525 -11.409 14 H LYS 2 H LYS 2 3.543 -4.450 -7.897 15 HA LYS 2 HA LYS 2 2.693 -6.419 -6.028 16 HB2 LYS 2 HB2 LYS 2 5.022 -6.916 -5.139 17 HB3 LYS 2 HB3 LYS 2 4.600 -7.702 -6.660 18 HG2 LYS 2 HG2 LYS 2 5.708 -5.110 -7.226 19 HG3 LYS 2 HG3 LYS 2 6.802 -5.981 -6.151 20 HD2 LYS 2 HD2 LYS 2 6.519 -7.981 -7.726 21 HD3 LYS 2 HD3 LYS 2 5.771 -6.853 -8.856 22 HE2 LYS 2 HE2 LYS 2 7.805 -5.445 -8.786 23 HE3 LYS 2 HE3 LYS 2 8.555 -6.595 -7.680 24 HZ1 LYS 2 HZ1 LYS 2 7.615 -8.077 -9.810 25 HZ2 LYS 2 HZ2 LYS 2 9.234 -7.710 -9.451 26 HZ3 LYS 2 HZ3 LYS 2 8.346 -6.713 -10.501 27 H CYS 3 H CYS 3 3.958 -5.899 -3.802 28 HA CYS 3 HA CYS 3 4.840 -3.233 -3.400 29 HB2 CYS 3 HB2 CYS 3 2.159 -3.268 -3.835 30 HB3 CYS 3 HB3 CYS 3 2.210 -3.484 -2.085 31 H TYR 4 H TYR 4 4.755 -2.676 -0.976 32 HA TYR 4 HA TYR 4 5.792 -4.948 0.460 33 HB2 TYR 4 HB2 TYR 4 5.450 -2.030 1.127 34 HB3 TYR 4 HB3 TYR 4 6.019 -3.202 2.317 35 HD1 TYR 4 HD1 TYR 4 7.846 -4.924 1.222 36 HD2 TYR 4 HD2 TYR 4 7.123 -0.869 0.003 37 HE1 TYR 4 HE1 TYR 4 10.117 -4.815 0.245 38 HE2 TYR 4 HE2 TYR 4 9.400 -0.758 -0.973 39 HH TYR 4 HH TYR 4 11.720 -3.368 -0.523 40 H GLN 5 H GLN 5 4.047 -6.318 0.722 41 HA GLN 5 HA GLN 5 1.749 -5.350 2.276 42 HB2 GLN 5 HB2 GLN 5 1.635 -6.880 0.153 43 HB3 GLN 5 HB3 GLN 5 2.041 -8.167 1.288 44 HG2 GLN 5 HG2 GLN 5 0.123 -7.509 2.708 45 HG3 GLN 5 HG3 GLN 5 -0.296 -6.252 1.544 46 HE21 GLN 5 HE21 GLN 5 0.956 -8.887 -0.154 47 HE22 GLN 5 HE22 GLN 5 -0.509 -9.643 -0.560 48 H HIS 6 H HIS 6 4.586 -7.358 2.520 49 HA HIS 6 HA HIS 6 4.018 -7.746 5.380 50 HB2 HIS 6 HB2 HIS 6 4.886 -9.912 3.453 51 HB3 HIS 6 HB3 HIS 6 4.893 -10.078 5.209 52 HD1 HIS 6 HD1 HIS 6 2.297 -8.941 6.091 53 HD2 HIS 6 HD2 HIS 6 2.593 -11.185 2.591 54 HE1 HIS 6 HE1 HIS 6 -0.032 -9.806 5.596 55 H GLY 7 H GLY 7 5.673 -5.794 4.335 56 HA2 GLY 7 HA2 GLY 7 7.761 -4.922 4.835 57 HA3 GLY 7 HA3 GLY 7 8.173 -6.457 5.595 58 H LYS 8 H LYS 8 6.969 -7.146 2.598 59 HA LYS 8 HA LYS 8 9.506 -6.791 1.168 60 HB2 LYS 8 HB2 LYS 8 8.500 -9.447 0.672 61 HB3 LYS 8 HB3 LYS 8 10.096 -8.953 1.235 62 HG2 LYS 8 HG2 LYS 8 9.308 -8.857 3.537 63 HG3 LYS 8 HG3 LYS 8 7.658 -9.204 3.019 64 HD2 LYS 8 HD2 LYS 8 9.850 -11.111 2.274 65 HD3 LYS 8 HD3 LYS 8 9.192 -11.155 3.909 66 HE2 LYS 8 HE2 LYS 8 7.104 -10.991 1.867 67 HE3 LYS 8 HE3 LYS 8 8.104 -12.433 1.699 68 HZ1 LYS 8 HZ1 LYS 8 7.741 -12.869 4.076 69 HZ2 LYS 8 HZ2 LYS 8 6.293 -12.879 3.186 70 HZ3 LYS 8 HZ3 LYS 8 6.690 -11.539 4.152 71 H VAL 9 H VAL 9 9.125 -6.130 -0.851 72 HA VAL 9 HA VAL 9 6.620 -5.618 -1.905 73 HB VAL 9 HB VAL 9 7.875 -5.665 -4.153 74 HG11 VAL 9 HG11 VAL 9 8.039 -3.488 -3.613 75 HG12 VAL 9 HG12 VAL 9 9.529 -3.842 -2.738 76 HG13 VAL 9 HG13 VAL 9 7.980 -3.887 -1.896 77 HG21 VAL 9 HG21 VAL 9 10.236 -6.003 -2.285 78 HG22 VAL 9 HG22 VAL 9 10.282 -5.853 -4.041 79 HG23 VAL 9 HG23 VAL 9 9.602 -7.301 -3.298 80 H VAL 10 H VAL 10 5.171 -7.303 -1.773 81 HA VAL 10 HA VAL 10 5.817 -9.724 -3.347 82 HB VAL 10 HB VAL 10 4.113 -10.873 -1.995 83 HG11 VAL 10 HG11 VAL 10 6.578 -9.687 -0.979 84 HG12 VAL 10 HG12 VAL 10 5.955 -11.323 -0.767 85 HG13 VAL 10 HG13 VAL 10 5.433 -10.034 0.317 86 HG21 VAL 10 HG21 VAL 10 3.462 -9.457 0.142 87 HG22 VAL 10 HG22 VAL 10 2.533 -9.286 -1.347 88 HG23 VAL 10 HG23 VAL 10 3.758 -8.088 -0.930 89 H THR 11 H THR 11 4.163 -10.616 -4.685 90 HA THR 11 HA THR 11 2.632 -8.614 -6.064 91 HB THR 11 HB THR 11 2.933 -11.597 -6.383 92 HG1 THR 11 HG1 THR 11 4.419 -10.947 -7.687 93 HG21 THR 11 HG21 THR 11 0.846 -11.537 -7.289 94 HG22 THR 11 HG22 THR 11 1.663 -10.771 -8.652 95 HG23 THR 11 HG23 THR 11 0.857 -9.779 -7.436 96 H CYS 12 H CYS 12 1.165 -7.862 -4.451 97 HA CYS 12 HA CYS 12 -0.529 -9.254 -2.826 98 HB2 CYS 12 HB2 CYS 12 -1.454 -6.920 -4.516 99 HB3 CYS 12 HB3 CYS 12 -2.037 -7.389 -2.919 100 H HIS 13 H HIS 13 -2.983 -9.561 -3.188 101 HA HIS 13 HA HIS 13 -3.347 -11.582 -5.118 102 HB2 HIS 13 HB2 HIS 13 -4.696 -11.025 -2.934 103 HB3 HIS 13 HB3 HIS 13 -5.687 -10.062 -4.031 104 HD1 HIS 13 HD1 HIS 13 -7.484 -11.322 -5.216 105 HD2 HIS 13 HD2 HIS 13 -4.396 -13.842 -3.994 106 HE1 HIS 13 HE1 HIS 13 -8.186 -13.672 -5.845 107 H ARG 14 H ARG 14 -5.088 -11.563 -6.798 108 HA ARG 14 HA ARG 14 -4.535 -9.587 -8.754 109 HB2 ARG 14 HB2 ARG 14 -5.902 -12.076 -8.630 110 HB3 ARG 14 HB3 ARG 14 -7.028 -10.894 -9.299 111 HG2 ARG 14 HG2 ARG 14 -5.084 -10.161 -10.821 112 HG3 ARG 14 HG3 ARG 14 -4.295 -11.660 -10.330 113 HD2 ARG 14 HD2 ARG 14 -6.989 -12.290 -11.018 114 HD3 ARG 14 HD3 ARG 14 -6.329 -11.292 -12.310 115 HE ARG 14 HE ARG 14 -4.423 -13.255 -11.644 116 HH11 ARG 14 HH21 ARG 14 -7.585 -12.924 -13.006 117 HH12 ARG 14 HH22 ARG 14 -7.446 -14.321 -14.019 118 HH21 ARG 14 HH11 ARG 14 -4.232 -15.090 -12.971 119 HH22 ARG 14 HH12 ARG 14 -5.547 -15.548 -14.000 120 H ASP 15 H ASP 15 -6.966 -9.895 -6.273 121 HA ASP 15 HA ASP 15 -8.853 -8.041 -7.270 122 HB2 ASP 15 HB2 ASP 15 -8.456 -9.573 -4.884 123 HB3 ASP 15 HB3 ASP 15 -8.807 -7.906 -4.428 124 H MET 16 H MET 16 -5.968 -7.663 -5.243 125 HA MET 16 HA MET 16 -6.364 -4.858 -4.795 126 HB2 MET 16 HB2 MET 16 -4.010 -6.710 -4.413 127 HB3 MET 16 HB3 MET 16 -3.947 -4.991 -4.034 128 HG2 MET 16 HG2 MET 16 -5.190 -5.238 -2.154 129 HG3 MET 16 HG3 MET 16 -6.307 -6.357 -2.935 130 HE1 MET 16 HE1 MET 16 -6.098 -7.434 -0.231 131 HE2 MET 16 HE2 MET 16 -5.668 -9.091 -0.646 132 HE3 MET 16 HE3 MET 16 -6.730 -8.171 -1.709 133 H LYS 17 H LYS 17 -6.208 -3.401 -6.383 134 HA LYS 17 HA LYS 17 -4.062 -3.756 -8.388 135 HB2 LYS 17 HB2 LYS 17 -6.917 -3.225 -8.727 136 HB3 LYS 17 HB3 LYS 17 -5.900 -2.038 -9.547 137 HG2 LYS 17 HG2 LYS 17 -4.586 -3.988 -10.511 138 HG3 LYS 17 HG3 LYS 17 -5.849 -5.047 -9.881 139 HD2 LYS 17 HD2 LYS 17 -7.526 -3.997 -11.248 140 HD3 LYS 17 HD3 LYS 17 -6.418 -2.706 -11.715 141 HE2 LYS 17 HE2 LYS 17 -5.653 -3.941 -13.433 142 HE3 LYS 17 HE3 LYS 17 -5.213 -5.246 -12.331 143 HZ1 LYS 17 HZ1 LYS 17 -7.900 -5.452 -12.458 144 HZ2 LYS 17 HZ2 LYS 17 -6.808 -6.378 -13.373 145 HZ3 LYS 17 HZ3 LYS 17 -7.513 -4.985 -14.042 146 H PHE 18 H PHE 18 -4.382 -2.299 -5.706 147 HA PHE 18 HA PHE 18 -3.006 0.125 -6.547 148 HB2 PHE 18 HB2 PHE 18 -5.457 0.320 -4.789 149 HB3 PHE 18 HB3 PHE 18 -4.466 1.647 -5.391 150 HD1 PHE 18 HD1 PHE 18 -4.542 2.314 -7.755 151 HD2 PHE 18 HD2 PHE 18 -7.019 -0.851 -6.242 152 HE1 PHE 18 HE1 PHE 18 -5.921 2.408 -9.815 153 HE2 PHE 18 HE2 PHE 18 -8.398 -0.758 -8.300 154 HZ PHE 18 HZ PHE 18 -7.849 0.872 -10.087 155 H CYS 19 H CYS 19 -1.462 0.669 -5.125 156 HA CYS 19 HA CYS 19 -1.312 -0.879 -2.631 157 HB2 CYS 19 HB2 CYS 19 0.616 -0.883 -4.269 158 HB3 CYS 19 HB3 CYS 19 0.847 0.821 -3.886 159 H TYR 20 H TYR 20 -0.810 0.203 -0.641 160 HA TYR 20 HA TYR 20 -1.157 3.113 -0.707 161 HB2 TYR 20 HB2 TYR 20 -2.893 3.124 0.930 162 HB3 TYR 20 HB3 TYR 20 -3.389 2.028 -0.352 163 HD1 TYR 20 HD1 TYR 20 -3.385 -0.409 -0.004 164 HD2 TYR 20 HD2 TYR 20 -2.274 2.306 3.134 165 HE1 TYR 20 HE1 TYR 20 -3.621 -2.233 1.659 166 HE2 TYR 20 HE2 TYR 20 -2.506 0.480 4.795 167 HH TYR 20 HH TYR 20 -3.725 -1.670 4.999 168 H HIS 21 H HIS 21 -0.260 4.235 0.956 169 HA HIS 21 HA HIS 21 1.458 2.680 2.798 170 HB2 HIS 21 HB2 HIS 21 2.737 4.014 1.174 171 HB3 HIS 21 HB3 HIS 21 1.880 5.466 1.685 172 HD1 HIS 21 HD1 HIS 21 2.721 6.648 3.753 173 HD2 HIS 21 HD2 HIS 21 4.423 2.869 3.293 174 HE1 HIS 21 HE1 HIS 21 4.524 6.455 5.521 175 H ASN 22 H ASN 22 0.018 2.552 4.513 176 HA ASN 22 HA ASN 22 -1.233 4.994 5.495 177 HB2 ASN 22 HB2 ASN 22 -2.581 2.971 5.479 178 HB3 ASN 22 HB3 ASN 22 -1.384 2.136 6.468 179 HD21 ASN 22 HD21 ASN 22 -2.575 1.860 8.409 180 HD22 ASN 22 HD22 ASN 22 -3.214 3.151 9.306 181 H THR 23 H THR 23 -0.534 6.178 7.145 182 HA THR 23 HA THR 23 1.916 5.335 8.520 183 HB THR 23 HB THR 23 1.555 7.815 9.433 184 HG1 THR 23 HG1 THR 23 0.672 8.904 7.431 185 HG21 THR 23 HG21 THR 23 2.575 6.935 6.728 186 HG22 THR 23 HG22 THR 23 3.505 7.246 8.193 187 HG23 THR 23 HG23 THR 23 2.769 8.586 7.315 188 H GLY 24 H GLY 24 -1.466 6.046 9.085 189 HA2 GLY 24 HA2 GLY 24 -2.818 5.721 10.919 190 HA3 GLY 24 HA3 GLY 24 -1.601 4.582 11.487 191 H MET 25 H MET 25 -3.179 6.504 13.034 192 HA MET 25 HA MET 25 -1.003 7.645 14.565 193 HB2 MET 25 HB2 MET 25 -1.605 9.332 12.716 194 HB3 MET 25 HB3 MET 25 -3.118 9.560 13.591 195 HG2 MET 25 HG2 MET 25 -1.360 9.750 15.646 196 HG3 MET 25 HG3 MET 25 -0.364 10.378 14.332 197 HE1 MET 25 HE1 MET 25 -0.510 13.296 14.142 198 HE2 MET 25 HE2 MET 25 -0.028 12.243 15.470 199 HE3 MET 25 HE3 MET 25 -1.106 13.602 15.780 200 HA PRO 26 HA PRO 26 -5.034 6.465 16.720 201 HB2 PRO 26 HB2 PRO 26 -4.133 4.202 17.965 202 HB3 PRO 26 HB3 PRO 26 -4.889 4.197 16.361 203 HG2 PRO 26 HG2 PRO 26 -2.016 4.032 17.101 204 HG3 PRO 26 HG3 PRO 26 -2.897 3.218 15.798 205 HD2 PRO 26 HD2 PRO 26 -1.301 5.429 15.407 206 HD3 PRO 26 HD3 PRO 26 -2.663 4.997 14.350 207 H PHE 27 H PHE 27 -2.361 5.060 18.529 208 HA PHE 27 HA PHE 27 -2.945 6.438 20.912 209 HB2 PHE 27 HB2 PHE 27 -0.663 4.784 19.925 210 HB3 PHE 27 HB3 PHE 27 -0.432 5.738 21.391 211 HD1 PHE 27 HD1 PHE 27 -1.972 5.416 23.347 212 HD2 PHE 27 HD2 PHE 27 -2.056 2.839 19.910 213 HE1 PHE 27 HE1 PHE 27 -3.233 3.723 24.648 214 HE2 PHE 27 HE2 PHE 27 -3.318 1.146 21.212 215 HZ PHE 27 HZ PHE 27 -3.906 1.587 23.580 216 H ARG 28 H ARG 28 0.341 6.716 19.794 217 HA ARG 28 HA ARG 28 0.070 9.662 19.838 218 HB2 ARG 28 HB2 ARG 28 2.391 7.942 20.744 219 HB3 ARG 28 HB3 ARG 28 2.419 9.704 20.655 220 HG2 ARG 28 HG2 ARG 28 0.195 9.455 22.099 221 HG3 ARG 28 HG3 ARG 28 0.947 7.924 22.552 222 HD2 ARG 28 HD2 ARG 28 2.950 9.073 23.305 223 HD3 ARG 28 HD3 ARG 28 2.328 10.615 22.722 224 HE ARG 28 HE ARG 28 1.432 9.169 25.113 225 HH11 ARG 28 HH21 ARG 28 1.110 11.799 22.887 226 HH12 ARG 28 HH22 ARG 28 0.163 12.774 23.961 227 HH21 ARG 28 HH11 ARG 28 0.189 10.441 26.527 228 HH22 ARG 28 HH12 ARG 28 -0.359 12.005 26.022 229 H ASN 29 H ASN 29 2.233 10.602 18.781 230 HA ASN 29 HA ASN 29 2.062 10.308 16.054 231 HB2 ASN 29 HB2 ASN 29 3.368 12.053 17.399 232 HB3 ASN 29 HB3 ASN 29 4.686 10.882 17.423 233 HD21 ASN 29 HD21 ASN 29 3.192 13.341 15.540 234 HD22 ASN 29 HD22 ASN 29 4.037 13.056 14.096 235 H LEU 30 H LEU 30 4.839 9.025 17.892 236 HA LEU 30 HA LEU 30 6.281 7.294 17.369 237 HB2 LEU 30 HB2 LEU 30 3.530 6.267 17.542 238 HB3 LEU 30 HB3 LEU 30 4.646 5.206 16.681 239 HG LEU 30 HG LEU 30 4.545 4.817 19.179 240 HD11 LEU 30 HD11 LEU 30 7.319 5.652 18.870 241 HD12 LEU 30 HD12 LEU 30 6.722 4.843 17.422 242 HD13 LEU 30 HD13 LEU 30 6.650 4.024 18.982 243 HD21 LEU 30 HD21 LEU 30 4.574 7.525 19.371 244 HD22 LEU 30 HD22 LEU 30 6.290 7.185 19.598 245 HD23 LEU 30 HD23 LEU 30 5.098 6.462 20.677 246 H LYS 31 H LYS 31 6.211 5.206 15.625 247 HA LYS 31 HA LYS 31 5.851 6.428 12.959 248 HB2 LYS 31 HB2 LYS 31 8.249 6.536 13.721 249 HB3 LYS 31 HB3 LYS 31 8.248 4.772 13.763 250 HG2 LYS 31 HG2 LYS 31 7.380 4.923 11.322 251 HG3 LYS 31 HG3 LYS 31 7.939 6.595 11.379 252 HD2 LYS 31 HD2 LYS 31 9.818 4.448 12.295 253 HD3 LYS 31 HD3 LYS 31 9.553 4.644 10.563 254 HE2 LYS 31 HE2 LYS 31 10.066 7.106 12.176 255 HE3 LYS 31 HE3 LYS 31 11.431 6.040 11.843 256 HZ1 LYS 31 HZ1 LYS 31 10.185 6.188 9.452 257 HZ2 LYS 31 HZ2 LYS 31 11.532 7.116 9.910 258 HZ3 LYS 31 HZ3 LYS 31 9.966 7.757 10.059 259 H LEU 32 H LEU 32 3.885 4.872 13.724 260 HA LEU 32 HA LEU 32 4.377 2.067 13.239 261 HB2 LEU 32 HB2 LEU 32 2.051 3.755 13.975 262 HB3 LEU 32 HB3 LEU 32 1.689 2.274 13.091 263 HG LEU 32 HG LEU 32 3.200 1.072 14.776 264 HD11 LEU 32 HD11 LEU 32 3.760 2.162 16.802 265 HD12 LEU 32 HD12 LEU 32 2.661 3.505 16.482 266 HD13 LEU 32 HD13 LEU 32 4.153 3.345 15.554 267 HD21 LEU 32 HD21 LEU 32 0.588 1.298 14.739 268 HD22 LEU 32 HD22 LEU 32 0.837 2.348 16.134 269 HD23 LEU 32 HD23 LEU 32 1.373 0.669 16.188 270 H ILE 33 H ILE 33 4.451 1.100 11.318 271 HA ILE 33 HA ILE 33 3.412 2.567 8.979 272 HB ILE 33 HB ILE 33 5.909 1.633 9.313 273 HG12 ILE 33 HG12 ILE 33 4.348 1.544 6.715 274 HG13 ILE 33 HG13 ILE 33 5.048 2.996 7.433 275 HG21 ILE 33 HG21 ILE 33 4.480 -0.599 7.847 276 HG22 ILE 33 HG22 ILE 33 5.043 -0.720 9.514 277 HG23 ILE 33 HG23 ILE 33 6.203 -0.497 8.206 278 HD11 ILE 33 HD11 ILE 33 6.406 0.706 6.085 279 HD12 ILE 33 HD12 ILE 33 7.246 1.470 7.433 280 HD13 ILE 33 HD13 ILE 33 6.783 2.427 6.027 281 H LEU 34 H LEU 34 1.668 1.819 7.970 282 HA LEU 34 HA LEU 34 0.919 -1.012 8.377 283 HB2 LEU 34 HB2 LEU 34 -0.655 1.474 8.735 284 HB3 LEU 34 HB3 LEU 34 -1.478 0.147 7.914 285 HG LEU 34 HG LEU 34 -0.705 -1.359 9.808 286 HD11 LEU 34 HD11 LEU 34 0.366 1.276 10.680 287 HD12 LEU 34 HD12 LEU 34 0.987 -0.347 10.982 288 HD13 LEU 34 HD13 LEU 34 -0.365 0.270 11.931 289 HD21 LEU 34 HD21 LEU 34 -2.433 0.961 10.713 290 HD22 LEU 34 HD22 LEU 34 -2.522 -0.718 11.246 291 HD23 LEU 34 HD23 LEU 34 -3.005 -0.287 9.606 292 H GLN 35 H GLN 35 2.494 -0.521 6.291 293 HA GLN 35 HA GLN 35 1.121 0.289 3.924 294 HB2 GLN 35 HB2 GLN 35 3.134 -1.163 2.924 295 HB3 GLN 35 HB3 GLN 35 3.373 0.460 3.574 296 HG2 GLN 35 HG2 GLN 35 4.928 -1.476 4.393 297 HG3 GLN 35 HG3 GLN 35 4.291 -0.329 5.571 298 HE21 GLN 35 HE21 GLN 35 3.575 -3.555 4.140 299 HE22 GLN 35 HE22 GLN 35 2.809 -4.160 5.529 300 H GLY 36 H GLY 36 0.102 -0.887 2.381 301 HA2 GLY 36 HA2 GLY 36 0.133 -3.730 2.207 302 HA3 GLY 36 HA3 GLY 36 -1.323 -3.178 3.030 303 H CYS 37 H CYS 37 -1.866 -4.458 0.792 304 HA CYS 37 HA CYS 37 -2.138 -2.430 -1.335 305 HB2 CYS 37 HB2 CYS 37 -2.988 -5.119 -2.058 306 HB3 CYS 37 HB3 CYS 37 -1.792 -4.077 -2.828 307 H SER 38 H SER 38 -4.190 -2.513 -2.588 308 HA SER 38 HA SER 38 -6.534 -3.653 -1.413 309 HB2 SER 38 HB2 SER 38 -6.139 -1.826 0.201 310 HB3 SER 38 HB3 SER 38 -6.165 -0.662 -1.120 311 HG SER 38 HG SER 38 -8.288 -1.081 -1.448 312 H SER 39 H SER 39 -8.235 -3.624 -2.825 313 HA SER 39 HA SER 39 -7.688 -2.820 -5.532 314 HB2 SER 39 HB2 SER 39 -10.440 -3.587 -4.723 315 HB3 SER 39 HB3 SER 39 -9.476 -4.124 -6.094 316 HG SER 39 HG SER 39 -8.240 -4.906 -3.892 317 H SER 40 H SER 40 -8.901 -1.243 -2.817 318 HA SER 40 HA SER 40 -9.734 1.033 -4.434 319 HB2 SER 40 HB2 SER 40 -11.891 0.226 -4.308 320 HB3 SER 40 HB3 SER 40 -11.603 -0.616 -2.788 321 HG SER 40 HG SER 40 -12.904 1.349 -2.667 322 H CYS 41 H CYS 41 -7.495 1.096 -3.087 323 HA CYS 41 HA CYS 41 -7.406 1.598 -0.376 324 HB2 CYS 41 HB2 CYS 41 -5.333 1.536 -1.463 325 HB3 CYS 41 HB3 CYS 41 -5.834 2.698 -2.691 326 H SER 42 H SER 42 -7.458 3.510 0.880 327 HA SER 42 HA SER 42 -9.324 5.532 -0.171 328 HB2 SER 42 HB2 SER 42 -8.887 4.282 2.444 329 HB3 SER 42 HB3 SER 42 -9.057 6.033 2.520 330 HG SER 42 HG SER 42 -10.980 4.334 2.349 331 H GLU 43 H GLU 43 -7.784 6.766 -1.324 332 HA GLU 43 HA GLU 43 -5.348 7.715 -0.300 333 HB2 GLU 43 HB2 GLU 43 -5.859 7.861 -2.669 334 HB3 GLU 43 HB3 GLU 43 -7.210 8.946 -2.342 335 HG2 GLU 43 HG2 GLU 43 -5.700 10.644 -1.473 336 HG3 GLU 43 HG3 GLU 43 -4.326 9.553 -1.642 337 H THR 44 H THR 44 -4.945 9.064 1.322 338 HA THR 44 HA THR 44 -6.656 11.380 1.774 339 HB THR 44 HB THR 44 -6.081 9.924 4.272 340 HG1 THR 44 HG1 THR 44 -6.983 8.514 2.330 341 HG21 THR 44 HG21 THR 44 -8.363 10.697 4.778 342 HG22 THR 44 HG22 THR 44 -8.554 11.234 3.108 343 HG23 THR 44 HG23 THR 44 -7.376 12.021 4.159 344 H GLU 45 H GLU 45 -5.460 11.613 4.515 345 HA GLU 45 HA GLU 45 -2.919 12.780 3.642 346 HB2 GLU 45 HB2 GLU 45 -2.988 13.713 6.045 347 HB3 GLU 45 HB3 GLU 45 -4.177 14.326 4.894 348 HG2 GLU 45 HG2 GLU 45 -5.908 12.967 5.797 349 HG3 GLU 45 HG3 GLU 45 -4.762 11.972 6.695 350 H ASN 46 H ASN 46 -4.187 10.425 5.962 351 HA ASN 46 HA ASN 46 -1.482 9.754 6.848 352 HB2 ASN 46 HB2 ASN 46 -3.813 9.852 8.217 353 HB3 ASN 46 HB3 ASN 46 -3.790 8.146 7.772 354 HD21 ASN 46 HD21 ASN 46 -0.935 10.205 8.441 355 HD22 ASN 46 HD22 ASN 46 -0.419 9.316 9.791 356 H ASN 47 H ASN 47 -4.072 8.531 4.850 357 HA ASN 47 HA ASN 47 -2.389 6.202 4.172 358 HB2 ASN 47 HB2 ASN 47 -4.257 5.237 5.203 359 HB3 ASN 47 HB3 ASN 47 -5.363 6.424 4.515 360 HD21 ASN 47 HD21 ASN 47 -6.710 5.189 3.159 361 HD22 ASN 47 HD22 ASN 47 -6.142 4.129 1.962 362 H LYS 48 H LYS 48 -1.492 6.527 2.264 363 HA LYS 48 HA LYS 48 -3.014 8.014 0.216 364 HB2 LYS 48 HB2 LYS 48 -0.089 7.285 0.084 365 HB3 LYS 48 HB3 LYS 48 -0.946 8.535 -0.819 366 HG2 LYS 48 HG2 LYS 48 -0.377 10.004 0.789 367 HG3 LYS 48 HG3 LYS 48 -1.415 9.112 1.902 368 HD2 LYS 48 HD2 LYS 48 0.399 7.740 2.642 369 HD3 LYS 48 HD3 LYS 48 1.440 8.292 1.329 370 HE2 LYS 48 HE2 LYS 48 1.087 10.659 2.348 371 HE3 LYS 48 HE3 LYS 48 0.560 9.790 3.789 372 HZ1 LYS 48 HZ1 LYS 48 3.205 9.821 2.507 373 HZ2 LYS 48 HZ2 LYS 48 2.732 8.466 3.415 374 HZ3 LYS 48 HZ3 LYS 48 2.804 9.999 4.145 375 H CYS 49 H CYS 49 -2.949 7.249 -1.989 376 HA CYS 49 HA CYS 49 -2.740 4.299 -2.165 377 HB2 CYS 49 HB2 CYS 49 -4.538 6.021 -3.869 378 HB3 CYS 49 HB3 CYS 49 -4.593 4.274 -3.644 379 H CYS 50 H CYS 50 -1.589 3.446 -3.811 380 HA CYS 50 HA CYS 50 -0.388 5.329 -5.748 381 HB2 CYS 50 HB2 CYS 50 0.860 3.529 -3.896 382 HB3 CYS 50 HB3 CYS 50 1.210 2.991 -5.539 383 H SER 51 H SER 51 0.712 3.686 -7.532 384 HA SER 51 HA SER 51 -1.118 1.575 -8.314 385 HB2 SER 51 HB2 SER 51 -0.997 4.211 -9.765 386 HB3 SER 51 HB3 SER 51 -1.432 2.725 -10.604 387 HG SER 51 HG SER 51 -3.318 2.842 -9.701 388 H THR 52 H THR 52 1.761 2.039 -7.706 389 HA THR 52 HA THR 52 2.837 0.840 -10.175 390 HB THR 52 HB THR 52 4.253 2.948 -8.526 391 HG1 THR 52 HG1 THR 52 2.495 3.101 -10.558 392 HG21 THR 52 HG21 THR 52 4.995 1.301 -10.940 393 HG22 THR 52 HG22 THR 52 5.899 1.519 -9.442 394 HG23 THR 52 HG23 THR 52 5.783 2.842 -10.601 395 H ASP 53 H ASP 53 4.893 -0.325 -9.782 396 HA ASP 53 HA ASP 53 4.663 -1.975 -7.437 397 HB2 ASP 53 HB2 ASP 53 7.036 -2.708 -8.519 398 HB3 ASP 53 HB3 ASP 53 5.479 -3.302 -9.093 399 H ARG 54 H ARG 54 5.833 -1.911 -5.594 400 HA ARG 54 HA ARG 54 7.305 -1.173 -3.991 401 HB2 ARG 54 HB2 ARG 54 8.999 -1.696 -5.783 402 HB3 ARG 54 HB3 ARG 54 8.905 -0.006 -6.278 403 HG2 ARG 54 HG2 ARG 54 10.001 0.748 -4.408 404 HG3 ARG 54 HG3 ARG 54 9.339 -0.521 -3.379 405 HD2 ARG 54 HD2 ARG 54 11.764 -0.831 -3.727 406 HD3 ARG 54 HD3 ARG 54 10.844 -2.166 -4.414 407 HE ARG 54 HE ARG 54 11.558 -1.505 -6.527 408 HH11 ARG 54 HH21 ARG 54 12.122 0.973 -4.178 409 HH12 ARG 54 HH22 ARG 54 13.045 1.972 -5.251 410 HH21 ARG 54 HH11 ARG 54 12.764 -0.201 -7.939 411 HH22 ARG 54 HH12 ARG 54 13.407 1.307 -7.381 412 H CYS 55 H CYS 55 5.048 0.430 -4.817 413 HA CYS 55 HA CYS 55 5.910 3.194 -4.850 414 HB2 CYS 55 HB2 CYS 55 3.610 1.882 -5.637 415 HB3 CYS 55 HB3 CYS 55 3.110 2.696 -4.155 416 H ASN 56 H ASN 56 4.324 1.006 -2.542 417 HA ASN 56 HA ASN 56 4.290 2.973 -0.436 418 HB2 ASN 56 HB2 ASN 56 3.404 1.202 0.938 419 HB3 ASN 56 HB3 ASN 56 2.622 1.119 -0.636 420 HD21 ASN 56 HD21 ASN 56 5.557 0.053 -1.456 421 HD22 ASN 56 HD22 ASN 56 5.408 -1.605 -1.123 422 H LYS 57 H LYS 57 5.253 2.264 1.756 423 HA LYS 57 HA LYS 57 7.955 1.138 1.368 424 HB2 LYS 57 HB2 LYS 57 7.653 3.779 1.619 425 HB3 LYS 57 HB3 LYS 57 7.598 3.352 3.330 426 HG2 LYS 57 HG2 LYS 57 9.885 3.579 3.059 427 HG3 LYS 57 HG3 LYS 57 9.706 1.868 2.664 428 HD2 LYS 57 HD2 LYS 57 10.867 2.509 0.790 429 HD3 LYS 57 HD3 LYS 57 9.245 2.913 0.227 430 HE2 LYS 57 HE2 LYS 57 10.385 4.902 -0.201 431 HE3 LYS 57 HE3 LYS 57 9.720 5.219 1.402 432 HZ1 LYS 57 HZ1 LYS 57 11.992 4.040 2.066 433 HZ2 LYS 57 HZ2 LYS 57 11.860 5.718 1.837 434 HZ3 LYS 57 HZ3 LYS 57 12.473 4.735 0.594 Start of MODEL 15 1 H1 LEU 1 H1 LEU 1 2.101 -4.543 -10.152 2 H2 LEU 1 H2 LEU 1 1.077 -4.619 -8.799 3 H3 LEU 1 H3 LEU 1 0.432 -4.757 -10.365 4 HA LEU 1 HA LEU 1 0.502 -6.946 -9.980 5 HB2 LEU 1 HB2 LEU 1 3.137 -6.016 -10.924 6 HB3 LEU 1 HB3 LEU 1 3.147 -7.637 -10.224 7 HG LEU 1 HG LEU 1 2.674 -7.698 -12.658 8 HD11 LEU 1 HD11 LEU 1 1.261 -8.968 -10.591 9 HD12 LEU 1 HD12 LEU 1 1.356 -9.488 -12.273 10 HD13 LEU 1 HD13 LEU 1 0.023 -8.463 -11.741 11 HD21 LEU 1 HD21 LEU 1 1.055 -5.456 -12.006 12 HD22 LEU 1 HD22 LEU 1 -0.039 -6.722 -12.565 13 HD23 LEU 1 HD23 LEU 1 1.289 -6.187 -13.595 14 H LYS 2 H LYS 2 2.712 -5.112 -7.980 15 HA LYS 2 HA LYS 2 2.094 -6.754 -5.688 16 HB2 LYS 2 HB2 LYS 2 4.423 -7.367 -5.181 17 HB3 LYS 2 HB3 LYS 2 3.885 -8.099 -6.693 18 HG2 LYS 2 HG2 LYS 2 4.957 -5.511 -7.286 19 HG3 LYS 2 HG3 LYS 2 6.118 -6.370 -6.275 20 HD2 LYS 2 HD2 LYS 2 6.145 -8.255 -7.790 21 HD3 LYS 2 HD3 LYS 2 4.828 -7.568 -8.740 22 HE2 LYS 2 HE2 LYS 2 6.938 -5.625 -8.512 23 HE3 LYS 2 HE3 LYS 2 7.613 -7.149 -9.091 24 HZ1 LYS 2 HZ1 LYS 2 6.067 -7.203 -10.866 25 HZ2 LYS 2 HZ2 LYS 2 6.743 -5.645 -10.857 26 HZ3 LYS 2 HZ3 LYS 2 5.181 -5.899 -10.239 27 H CYS 3 H CYS 3 3.380 -5.953 -3.741 28 HA CYS 3 HA CYS 3 4.533 -3.333 -3.845 29 HB2 CYS 3 HB2 CYS 3 1.960 -3.019 -4.094 30 HB3 CYS 3 HB3 CYS 3 1.911 -3.431 -2.379 31 H TYR 4 H TYR 4 3.975 -2.515 -1.242 32 HA TYR 4 HA TYR 4 5.491 -4.506 0.258 33 HB2 TYR 4 HB2 TYR 4 4.875 -1.598 0.602 34 HB3 TYR 4 HB3 TYR 4 5.365 -2.550 2.005 35 HD1 TYR 4 HD2 TYR 4 7.526 -3.869 1.899 36 HD2 TYR 4 HD1 TYR 4 6.457 -0.924 -1.037 37 HE1 TYR 4 HE2 TYR 4 9.886 -3.756 1.157 38 HE2 TYR 4 HE1 TYR 4 8.818 -0.811 -1.784 39 HH TYR 4 HH TYR 4 11.027 -3.024 -1.243 40 H GLN 5 H GLN 5 3.976 -6.080 0.692 41 HA GLN 5 HA GLN 5 1.508 -5.354 2.079 42 HB2 GLN 5 HB2 GLN 5 1.662 -7.148 0.269 43 HB3 GLN 5 HB3 GLN 5 2.487 -8.141 1.471 44 HG2 GLN 5 HG2 GLN 5 0.479 -7.594 3.009 45 HG3 GLN 5 HG3 GLN 5 -0.337 -7.087 1.530 46 HE21 GLN 5 HE21 GLN 5 2.012 -9.763 1.709 47 HE22 GLN 5 HE22 GLN 5 0.891 -10.984 1.340 48 H HIS 6 H HIS 6 4.527 -7.112 2.691 49 HA HIS 6 HA HIS 6 3.968 -6.881 5.581 50 HB2 HIS 6 HB2 HIS 6 3.896 -9.279 4.226 51 HB3 HIS 6 HB3 HIS 6 5.552 -9.232 4.829 52 HD1 HIS 6 HD1 HIS 6 5.653 -8.440 7.520 53 HD2 HIS 6 HD2 HIS 6 2.134 -10.197 6.135 54 HE1 HIS 6 HE1 HIS 6 4.397 -9.242 9.569 55 H GLY 7 H GLY 7 5.472 -5.041 4.154 56 HA2 GLY 7 HA2 GLY 7 7.456 -3.893 4.499 57 HA3 GLY 7 HA3 GLY 7 7.987 -5.206 5.546 58 H LYS 8 H LYS 8 6.960 -6.607 2.742 59 HA LYS 8 HA LYS 8 9.556 -6.317 1.378 60 HB2 LYS 8 HB2 LYS 8 8.404 -9.045 1.430 61 HB3 LYS 8 HB3 LYS 8 10.089 -8.527 1.492 62 HG2 LYS 8 HG2 LYS 8 9.653 -7.718 3.853 63 HG3 LYS 8 HG3 LYS 8 8.083 -8.518 3.761 64 HD2 LYS 8 HD2 LYS 8 10.783 -9.858 3.411 65 HD3 LYS 8 HD3 LYS 8 9.732 -10.002 4.821 66 HE2 LYS 8 HE2 LYS 8 9.088 -11.899 3.665 67 HE3 LYS 8 HE3 LYS 8 7.954 -10.736 2.979 68 HZ1 LYS 8 HZ1 LYS 8 9.589 -10.350 1.183 69 HZ2 LYS 8 HZ2 LYS 8 8.982 -11.936 1.210 70 HZ3 LYS 8 HZ3 LYS 8 10.537 -11.609 1.808 71 H VAL 9 H VAL 9 9.222 -5.793 -0.677 72 HA VAL 9 HA VAL 9 6.844 -5.517 -1.989 73 HB VAL 9 HB VAL 9 9.506 -6.330 -3.177 74 HG11 VAL 9 HG11 VAL 9 7.919 -6.762 -4.876 75 HG12 VAL 9 HG12 VAL 9 8.457 -5.115 -5.209 76 HG13 VAL 9 HG13 VAL 9 6.913 -5.394 -4.404 77 HG21 VAL 9 HG21 VAL 9 8.191 -3.716 -2.456 78 HG22 VAL 9 HG22 VAL 9 9.394 -3.784 -3.744 79 HG23 VAL 9 HG23 VAL 9 9.829 -4.262 -2.103 80 H VAL 10 H VAL 10 5.303 -7.088 -1.843 81 HA VAL 10 HA VAL 10 5.912 -9.631 -3.209 82 HB VAL 10 HB VAL 10 4.459 -10.783 -1.497 83 HG11 VAL 10 HG11 VAL 10 6.697 -11.276 -1.162 84 HG12 VAL 10 HG12 VAL 10 6.342 -10.445 0.352 85 HG13 VAL 10 HG13 VAL 10 7.148 -9.582 -0.959 86 HG21 VAL 10 HG21 VAL 10 5.006 -8.785 0.559 87 HG22 VAL 10 HG22 VAL 10 3.496 -9.615 0.182 88 HG23 VAL 10 HG23 VAL 10 3.943 -8.155 -0.700 89 H THR 11 H THR 11 4.028 -10.728 -4.049 90 HA THR 11 HA THR 11 2.124 -8.887 -5.174 91 HB THR 11 HB THR 11 2.112 -11.908 -5.315 92 HG1 THR 11 HG1 THR 11 3.600 -11.752 -6.808 93 HG21 THR 11 HG21 THR 11 0.334 -11.637 -6.663 94 HG22 THR 11 HG22 THR 11 1.236 -10.502 -7.669 95 HG23 THR 11 HG23 THR 11 0.336 -9.918 -6.269 96 H CYS 12 H CYS 12 0.536 -8.115 -3.924 97 HA CYS 12 HA CYS 12 -0.494 -9.320 -1.610 98 HB2 CYS 12 HB2 CYS 12 -1.106 -7.008 -3.265 99 HB3 CYS 12 HB3 CYS 12 -2.569 -7.762 -2.632 100 H HIS 13 H HIS 13 -3.270 -9.285 -1.912 101 HA HIS 13 HA HIS 13 -3.784 -11.449 -3.853 102 HB2 HIS 13 HB2 HIS 13 -3.530 -11.950 -1.196 103 HB3 HIS 13 HB3 HIS 13 -5.256 -11.609 -1.300 104 HD1 HIS 13 HD1 HIS 13 -6.187 -12.841 -3.800 105 HD2 HIS 13 HD2 HIS 13 -3.220 -14.669 -1.513 106 HE1 HIS 13 HE1 HIS 13 -6.183 -15.287 -4.455 107 H ARG 14 H ARG 14 -6.500 -11.706 -2.663 108 HA ARG 14 HA ARG 14 -8.568 -10.975 -3.438 109 HB2 ARG 14 HB2 ARG 14 -7.685 -8.350 -2.245 110 HB3 ARG 14 HB3 ARG 14 -9.295 -9.070 -2.244 111 HG2 ARG 14 HG2 ARG 14 -8.824 -9.962 -0.231 112 HG3 ARG 14 HG3 ARG 14 -7.618 -10.977 -1.021 113 HD2 ARG 14 HD2 ARG 14 -5.881 -9.385 -0.621 114 HD3 ARG 14 HD3 ARG 14 -7.034 -8.143 -0.146 115 HE ARG 14 HE ARG 14 -7.021 -10.548 1.502 116 HH11 ARG 14 HH21 ARG 14 -5.891 -7.323 0.960 117 HH12 ARG 14 HH22 ARG 14 -5.460 -7.047 2.615 118 HH21 ARG 14 HH11 ARG 14 -6.459 -10.194 3.676 119 HH22 ARG 14 HH12 ARG 14 -5.783 -8.671 4.152 120 H ASP 15 H ASP 15 -6.139 -10.412 -5.208 121 HA ASP 15 HA ASP 15 -5.692 -9.347 -7.190 122 HB2 ASP 15 HB2 ASP 15 -8.616 -9.655 -7.049 123 HB3 ASP 15 HB3 ASP 15 -8.062 -8.412 -8.167 124 H MET 16 H MET 16 -4.876 -7.781 -5.333 125 HA MET 16 HA MET 16 -6.181 -5.295 -4.995 126 HB2 MET 16 HB2 MET 16 -4.412 -4.774 -3.671 127 HB3 MET 16 HB3 MET 16 -4.021 -6.483 -3.844 128 HG2 MET 16 HG2 MET 16 -2.008 -5.350 -4.393 129 HG3 MET 16 HG3 MET 16 -2.707 -5.793 -5.949 130 HE1 MET 16 HE1 MET 16 -0.991 -3.725 -6.997 131 HE2 MET 16 HE2 MET 16 -0.520 -3.799 -5.301 132 HE3 MET 16 HE3 MET 16 -0.861 -2.239 -6.046 133 H LYS 17 H LYS 17 -6.040 -3.394 -6.085 134 HA LYS 17 HA LYS 17 -4.541 -3.426 -8.633 135 HB2 LYS 17 HB2 LYS 17 -7.269 -3.329 -8.385 136 HB3 LYS 17 HB3 LYS 17 -6.854 -1.617 -8.480 137 HG2 LYS 17 HG2 LYS 17 -5.941 -3.749 -10.436 138 HG3 LYS 17 HG3 LYS 17 -7.230 -2.581 -10.730 139 HD2 LYS 17 HD2 LYS 17 -5.533 -0.750 -10.287 140 HD3 LYS 17 HD3 LYS 17 -4.291 -2.001 -10.299 141 HE2 LYS 17 HE2 LYS 17 -5.403 -2.672 -12.592 142 HE3 LYS 17 HE3 LYS 17 -6.001 -1.013 -12.557 143 HZ1 LYS 17 HZ1 LYS 17 -4.002 -0.687 -13.555 144 HZ2 LYS 17 HZ2 LYS 17 -3.257 -2.001 -12.778 145 HZ3 LYS 17 HZ3 LYS 17 -3.506 -0.544 -11.940 146 H PHE 18 H PHE 18 -4.668 -2.070 -5.622 147 HA PHE 18 HA PHE 18 -3.095 0.230 -6.499 148 HB2 PHE 18 HB2 PHE 18 -5.558 0.519 -4.766 149 HB3 PHE 18 HB3 PHE 18 -4.420 1.806 -5.163 150 HD1 PHE 18 HD1 PHE 18 -3.881 1.904 -7.835 151 HD2 PHE 18 HD2 PHE 18 -7.499 0.446 -6.038 152 HE1 PHE 18 HE1 PHE 18 -5.102 2.322 -9.953 153 HE2 PHE 18 HE2 PHE 18 -8.720 0.864 -8.155 154 HZ PHE 18 HZ PHE 18 -7.521 1.803 -10.113 155 H CYS 19 H CYS 19 -1.572 0.857 -5.035 156 HA CYS 19 HA CYS 19 -1.370 -0.777 -2.591 157 HB2 CYS 19 HB2 CYS 19 0.543 -0.749 -4.248 158 HB3 CYS 19 HB3 CYS 19 0.778 0.949 -3.836 159 H TYR 20 H TYR 20 -0.834 0.263 -0.583 160 HA TYR 20 HA TYR 20 -1.190 3.174 -0.569 161 HB2 TYR 20 HB2 TYR 20 -2.827 3.078 1.233 162 HB3 TYR 20 HB3 TYR 20 -3.411 2.212 -0.182 163 HD1 TYR 20 HD1 TYR 20 -2.029 1.851 3.219 164 HD2 TYR 20 HD2 TYR 20 -3.694 -0.196 -0.169 165 HE1 TYR 20 HE1 TYR 20 -2.310 -0.193 4.590 166 HE2 TYR 20 HE2 TYR 20 -3.969 -2.242 1.206 167 HH TYR 20 HH TYR 20 -2.896 -2.331 4.604 168 H HIS 21 H HIS 21 -0.008 4.224 0.847 169 HA HIS 21 HA HIS 21 1.710 2.653 2.659 170 HB2 HIS 21 HB2 HIS 21 2.629 4.288 0.853 171 HB3 HIS 21 HB3 HIS 21 2.124 5.553 1.974 172 HD1 HIS 21 HD1 HIS 21 5.107 5.248 1.484 173 HD2 HIS 21 HD2 HIS 21 3.101 3.183 4.499 174 HE1 HIS 21 HE1 HIS 21 6.854 4.620 3.206 175 H ASN 22 H ASN 22 0.126 2.435 4.310 176 HA ASN 22 HA ASN 22 -1.289 4.607 5.439 177 HB2 ASN 22 HB2 ASN 22 -1.841 2.171 5.727 178 HB3 ASN 22 HB3 ASN 22 -0.476 2.052 6.835 179 HD21 ASN 22 HD21 ASN 22 -3.803 2.917 6.597 180 HD22 ASN 22 HD22 ASN 22 -3.964 3.585 8.149 181 H THR 23 H THR 23 -0.698 6.149 6.824 182 HA THR 23 HA THR 23 1.726 5.769 8.450 183 HB THR 23 HB THR 23 2.516 7.030 6.557 184 HG1 THR 23 HG1 THR 23 1.931 8.958 8.530 185 HG21 THR 23 HG21 THR 23 -0.080 7.880 6.310 186 HG22 THR 23 HG22 THR 23 1.286 8.573 5.436 187 HG23 THR 23 HG23 THR 23 0.714 9.330 6.923 188 H GLY 24 H GLY 24 -1.459 6.280 8.464 189 HA2 GLY 24 HA2 GLY 24 -2.372 8.382 9.763 190 HA3 GLY 24 HA3 GLY 24 -2.734 6.775 10.387 191 H MET 25 H MET 25 -2.296 9.392 11.771 192 HA MET 25 HA MET 25 -0.094 8.533 13.550 193 HB2 MET 25 HB2 MET 25 -0.888 11.266 12.587 194 HB3 MET 25 HB3 MET 25 -0.030 11.067 14.115 195 HG2 MET 25 HG2 MET 25 1.126 9.511 11.903 196 HG3 MET 25 HG3 MET 25 1.179 11.255 11.646 197 HE1 MET 25 HE1 MET 25 4.149 8.893 13.724 198 HE2 MET 25 HE2 MET 25 3.840 9.327 12.045 199 HE3 MET 25 HE3 MET 25 2.693 8.306 12.909 200 HA PRO 26 HA PRO 26 -4.083 8.695 15.927 201 HB2 PRO 26 HB2 PRO 26 -3.805 6.247 17.114 202 HB3 PRO 26 HB3 PRO 26 -4.575 6.484 15.534 203 HG2 PRO 26 HG2 PRO 26 -1.845 5.513 16.182 204 HG3 PRO 26 HG3 PRO 26 -2.947 5.014 14.889 205 HD2 PRO 26 HD2 PRO 26 -0.805 6.709 14.510 206 HD3 PRO 26 HD3 PRO 26 -2.244 6.684 13.469 207 H PHE 27 H PHE 27 -3.968 7.412 18.451 208 HA PHE 27 HA PHE 27 -2.139 9.217 19.836 209 HB2 PHE 27 HB2 PHE 27 -3.998 7.309 21.216 210 HB3 PHE 27 HB3 PHE 27 -3.465 8.910 21.727 211 HD1 PHE 27 HD1 PHE 27 -3.903 10.550 19.346 212 HD2 PHE 27 HD2 PHE 27 -6.337 7.424 21.003 213 HE1 PHE 27 HE1 PHE 27 -5.910 11.558 18.296 214 HE2 PHE 27 HE2 PHE 27 -8.345 8.432 19.953 215 HZ PHE 27 HZ PHE 27 -8.131 10.498 18.600 216 H ARG 28 H ARG 28 -0.782 8.471 21.580 217 HA ARG 28 HA ARG 28 0.935 7.165 22.375 218 HB2 ARG 28 HB2 ARG 28 -1.438 5.739 22.647 219 HB3 ARG 28 HB3 ARG 28 -0.329 4.585 21.906 220 HG2 ARG 28 HG2 ARG 28 1.352 5.103 23.659 221 HG3 ARG 28 HG3 ARG 28 0.198 6.200 24.419 222 HD2 ARG 28 HD2 ARG 28 -0.912 4.499 25.399 223 HD3 ARG 28 HD3 ARG 28 -0.978 3.586 23.894 224 HE ARG 28 HE ARG 28 1.605 3.271 24.689 225 HH11 ARG 28 HH21 ARG 28 -1.471 2.907 26.232 226 HH12 ARG 28 HH22 ARG 28 -0.945 1.639 27.288 227 HH21 ARG 28 HH11 ARG 28 2.301 1.607 26.071 228 HH22 ARG 28 HH12 ARG 28 1.189 0.902 27.196 229 H ASN 29 H ASN 29 2.721 5.990 21.707 230 HA ASN 29 HA ASN 29 4.164 4.925 20.263 231 HB2 ASN 29 HB2 ASN 29 1.849 3.613 19.818 232 HB3 ASN 29 HB3 ASN 29 2.093 4.336 18.230 233 HD21 ASN 29 HD21 ASN 29 4.386 2.954 20.657 234 HD22 ASN 29 HD22 ASN 29 5.128 1.896 19.558 235 H LEU 30 H LEU 30 5.159 5.218 18.137 236 HA LEU 30 HA LEU 30 4.188 7.508 16.587 237 HB2 LEU 30 HB2 LEU 30 6.924 7.975 16.731 238 HB3 LEU 30 HB3 LEU 30 5.667 8.900 17.552 239 HG LEU 30 HG LEU 30 5.805 7.266 19.460 240 HD11 LEU 30 HD11 LEU 30 8.443 6.286 18.925 241 HD12 LEU 30 HD12 LEU 30 7.409 5.857 17.562 242 HD13 LEU 30 HD13 LEU 30 6.969 5.357 19.195 243 HD21 LEU 30 HD21 LEU 30 8.365 8.036 19.918 244 HD22 LEU 30 HD22 LEU 30 6.991 9.133 20.066 245 HD23 LEU 30 HD23 LEU 30 7.956 9.123 18.590 246 H LYS 31 H LYS 31 4.975 7.574 14.459 247 HA LYS 31 HA LYS 31 5.600 6.617 12.465 248 HB2 LYS 31 HB2 LYS 31 7.830 6.663 14.129 249 HB3 LYS 31 HB3 LYS 31 7.805 5.017 13.500 250 HG2 LYS 31 HG2 LYS 31 7.667 5.868 11.204 251 HG3 LYS 31 HG3 LYS 31 7.621 7.526 11.805 252 HD2 LYS 31 HD2 LYS 31 9.854 7.193 12.842 253 HD3 LYS 31 HD3 LYS 31 9.904 5.563 12.171 254 HE2 LYS 31 HE2 LYS 31 10.784 7.893 10.906 255 HE3 LYS 31 HE3 LYS 31 10.522 6.326 10.140 256 HZ1 LYS 31 HZ1 LYS 31 8.061 7.150 10.110 257 HZ2 LYS 31 HZ2 LYS 31 9.151 7.645 8.905 258 HZ3 LYS 31 HZ3 LYS 31 8.780 8.684 10.196 259 H LEU 32 H LEU 32 3.643 5.313 12.523 260 HA LEU 32 HA LEU 32 4.063 2.489 13.246 261 HB2 LEU 32 HB2 LEU 32 1.815 4.278 13.371 262 HB3 LEU 32 HB3 LEU 32 1.414 2.909 12.334 263 HG LEU 32 HG LEU 32 2.679 2.591 15.066 264 HD11 LEU 32 HD11 LEU 32 0.644 2.690 16.065 265 HD12 LEU 32 HD12 LEU 32 -0.144 1.836 14.739 266 HD13 LEU 32 HD13 LEU 32 0.141 3.572 14.624 267 HD21 LEU 32 HD21 LEU 32 2.564 0.815 13.030 268 HD22 LEU 32 HD22 LEU 32 0.991 0.513 13.768 269 HD23 LEU 32 HD23 LEU 32 2.463 0.331 14.723 270 H ILE 33 H ILE 33 3.935 0.857 11.755 271 HA ILE 33 HA ILE 33 3.910 1.704 8.927 272 HB ILE 33 HB ILE 33 5.283 -0.533 10.389 273 HG12 ILE 33 HG12 ILE 33 6.240 1.838 9.850 274 HG13 ILE 33 HG13 ILE 33 7.238 0.426 9.498 275 HG21 ILE 33 HG21 ILE 33 4.563 -1.859 8.653 276 HG22 ILE 33 HG22 ILE 33 5.914 -1.078 7.830 277 HG23 ILE 33 HG23 ILE 33 4.271 -0.485 7.587 278 HD11 ILE 33 HD11 ILE 33 7.033 0.676 7.230 279 HD12 ILE 33 HD12 ILE 33 6.752 2.360 7.676 280 HD13 ILE 33 HD13 ILE 33 5.386 1.296 7.343 281 H LEU 34 H LEU 34 1.993 1.382 8.005 282 HA LEU 34 HA LEU 34 0.671 -1.220 8.416 283 HB2 LEU 34 HB2 LEU 34 -0.405 1.474 8.969 284 HB3 LEU 34 HB3 LEU 34 -1.468 0.419 8.038 285 HG LEU 34 HG LEU 34 -0.093 -0.620 10.505 286 HD11 LEU 34 HD11 LEU 34 -2.522 -0.009 11.475 287 HD12 LEU 34 HD12 LEU 34 -2.355 1.315 10.323 288 HD13 LEU 34 HD13 LEU 34 -1.158 1.101 11.601 289 HD21 LEU 34 HD21 LEU 34 -1.722 -1.754 8.576 290 HD22 LEU 34 HD22 LEU 34 -2.861 -1.376 9.868 291 HD23 LEU 34 HD23 LEU 34 -1.463 -2.402 10.196 292 H GLN 35 H GLN 35 2.389 -0.439 6.299 293 HA GLN 35 HA GLN 35 0.870 0.443 4.035 294 HB2 GLN 35 HB2 GLN 35 2.874 -0.296 2.743 295 HB3 GLN 35 HB3 GLN 35 3.270 0.789 4.077 296 HG2 GLN 35 HG2 GLN 35 3.435 -1.577 5.367 297 HG3 GLN 35 HG3 GLN 35 3.873 -2.102 3.743 298 HE21 GLN 35 HE21 GLN 35 5.775 -1.019 2.725 299 HE22 GLN 35 HE22 GLN 35 6.955 -0.297 3.709 300 H GLY 36 H GLY 36 -0.165 -0.716 2.493 301 HA2 GLY 36 HA2 GLY 36 0.176 -3.552 2.160 302 HA3 GLY 36 HA3 GLY 36 -1.337 -3.145 2.965 303 H CYS 37 H CYS 37 -1.842 -4.355 0.749 304 HA CYS 37 HA CYS 37 -2.314 -2.257 -1.284 305 HB2 CYS 37 HB2 CYS 37 -2.602 -4.933 -2.322 306 HB3 CYS 37 HB3 CYS 37 -1.527 -3.642 -2.858 307 H SER 38 H SER 38 -4.301 -2.490 -2.536 308 HA SER 38 HA SER 38 -6.386 -4.239 -1.644 309 HB2 SER 38 HB2 SER 38 -6.145 -2.329 0.143 310 HB3 SER 38 HB3 SER 38 -6.978 -1.358 -1.066 311 HG SER 38 HG SER 38 -8.741 -2.530 -0.808 312 H SER 39 H SER 39 -8.162 -4.212 -3.014 313 HA SER 39 HA SER 39 -7.720 -3.068 -5.606 314 HB2 SER 39 HB2 SER 39 -8.870 -5.043 -5.833 315 HB3 SER 39 HB3 SER 39 -9.775 -4.812 -4.340 316 HG SER 39 HG SER 39 -11.250 -3.732 -5.404 317 H SER 40 H SER 40 -8.227 -1.360 -3.103 318 HA SER 40 HA SER 40 -9.541 0.780 -4.392 319 HB2 SER 40 HB2 SER 40 -11.678 0.048 -4.129 320 HB3 SER 40 HB3 SER 40 -11.242 -1.085 -2.853 321 HG SER 40 HG SER 40 -11.939 0.366 -1.516 322 H CYS 41 H CYS 41 -7.675 1.795 -3.542 323 HA CYS 41 HA CYS 41 -7.301 1.908 -0.662 324 HB2 CYS 41 HB2 CYS 41 -5.305 1.860 -1.996 325 HB3 CYS 41 HB3 CYS 41 -5.856 3.222 -2.970 326 H SER 42 H SER 42 -6.945 4.118 0.335 327 HA SER 42 HA SER 42 -9.009 6.006 -0.632 328 HB2 SER 42 HB2 SER 42 -9.777 4.903 1.403 329 HB3 SER 42 HB3 SER 42 -8.274 5.313 2.223 330 HG SER 42 HG SER 42 -9.751 7.359 1.016 331 H GLU 43 H GLU 43 -7.629 7.402 -1.693 332 HA GLU 43 HA GLU 43 -5.112 8.258 -0.843 333 HB2 GLU 43 HB2 GLU 43 -6.923 10.190 -2.235 334 HB3 GLU 43 HB3 GLU 43 -5.220 9.845 -2.523 335 HG2 GLU 43 HG2 GLU 43 -5.903 8.572 -4.254 336 HG3 GLU 43 HG3 GLU 43 -6.476 7.420 -3.054 337 H THR 44 H THR 44 -5.001 8.749 1.334 338 HA THR 44 HA THR 44 -6.115 11.350 2.081 339 HB THR 44 HB THR 44 -6.649 10.169 4.389 340 HG1 THR 44 HG1 THR 44 -6.025 8.119 3.818 341 HG21 THR 44 HG21 THR 44 -8.994 9.718 3.445 342 HG22 THR 44 HG22 THR 44 -8.336 10.216 1.887 343 HG23 THR 44 HG23 THR 44 -8.355 11.349 3.238 344 H GLU 45 H GLU 45 -4.843 12.471 3.516 345 HA GLU 45 HA GLU 45 -2.150 12.082 3.681 346 HB2 GLU 45 HB2 GLU 45 -3.961 13.283 5.791 347 HB3 GLU 45 HB3 GLU 45 -2.205 13.451 5.774 348 HG2 GLU 45 HG2 GLU 45 -2.390 14.434 3.467 349 HG3 GLU 45 HG3 GLU 45 -4.143 14.413 3.653 350 H ASN 46 H ASN 46 -4.624 10.393 5.420 351 HA ASN 46 HA ASN 46 -2.844 9.277 7.409 352 HB2 ASN 46 HB2 ASN 46 -5.553 9.626 7.291 353 HB3 ASN 46 HB3 ASN 46 -5.406 7.914 6.899 354 HD21 ASN 46 HD21 ASN 46 -4.526 10.343 9.378 355 HD22 ASN 46 HD22 ASN 46 -4.342 9.217 10.636 356 H ASN 47 H ASN 47 -4.434 8.194 4.433 357 HA ASN 47 HA ASN 47 -2.455 6.021 4.245 358 HB2 ASN 47 HB2 ASN 47 -4.362 4.857 5.041 359 HB3 ASN 47 HB3 ASN 47 -5.451 5.775 4.002 360 HD21 ASN 47 HD21 ASN 47 -4.554 5.576 1.498 361 HD22 ASN 47 HD22 ASN 47 -4.285 3.970 1.023 362 H LYS 48 H LYS 48 -1.301 6.628 2.519 363 HA LYS 48 HA LYS 48 -2.455 8.092 0.319 364 HB2 LYS 48 HB2 LYS 48 0.268 6.802 0.621 365 HB3 LYS 48 HB3 LYS 48 -0.201 7.906 -0.672 366 HG2 LYS 48 HG2 LYS 48 -0.666 8.803 2.136 367 HG3 LYS 48 HG3 LYS 48 0.997 8.787 1.554 368 HD2 LYS 48 HD2 LYS 48 -1.097 9.983 -0.215 369 HD3 LYS 48 HD3 LYS 48 -0.563 10.911 1.187 370 HE2 LYS 48 HE2 LYS 48 1.564 11.203 0.362 371 HE3 LYS 48 HE3 LYS 48 1.557 9.661 -0.493 372 HZ1 LYS 48 HZ1 LYS 48 0.936 10.691 -2.334 373 HZ2 LYS 48 HZ2 LYS 48 1.047 12.186 -1.535 374 HZ3 LYS 48 HZ3 LYS 48 -0.428 11.344 -1.569 375 H CYS 49 H CYS 49 -2.217 7.332 -1.960 376 HA CYS 49 HA CYS 49 -2.593 4.408 -2.197 377 HB2 CYS 49 HB2 CYS 49 -4.189 6.469 -3.729 378 HB3 CYS 49 HB3 CYS 49 -4.424 4.722 -3.720 379 H CYS 50 H CYS 50 -1.566 3.457 -3.856 380 HA CYS 50 HA CYS 50 -0.222 5.205 -5.825 381 HB2 CYS 50 HB2 CYS 50 1.726 4.268 -5.231 382 HB3 CYS 50 HB3 CYS 50 0.896 3.303 -4.014 383 H SER 51 H SER 51 0.465 3.693 -7.806 384 HA SER 51 HA SER 51 -1.614 1.741 -8.434 385 HB2 SER 51 HB2 SER 51 -2.818 3.541 -9.274 386 HB3 SER 51 HB3 SER 51 -1.370 4.424 -9.747 387 HG SER 51 HG SER 51 -1.745 3.588 -11.637 388 H THR 52 H THR 52 1.292 1.690 -8.064 389 HA THR 52 HA THR 52 1.970 0.435 -10.625 390 HB THR 52 HB THR 52 4.012 2.192 -9.309 391 HG1 THR 52 HG1 THR 52 2.674 3.767 -9.745 392 HG21 THR 52 HG21 THR 52 4.749 2.311 -11.741 393 HG22 THR 52 HG22 THR 52 3.523 1.091 -12.082 394 HG23 THR 52 HG23 THR 52 4.860 0.717 -10.994 395 H ASP 53 H ASP 53 3.516 -1.215 -10.451 396 HA ASP 53 HA ASP 53 3.599 -2.545 -7.927 397 HB2 ASP 53 HB2 ASP 53 5.531 -3.768 -9.458 398 HB3 ASP 53 HB3 ASP 53 3.819 -4.191 -9.454 399 H ARG 54 H ARG 54 5.043 -2.398 -6.327 400 HA ARG 54 HA ARG 54 6.991 -1.935 -5.188 401 HB2 ARG 54 HB2 ARG 54 8.027 -2.901 -7.352 402 HB3 ARG 54 HB3 ARG 54 8.321 -1.217 -7.790 403 HG2 ARG 54 HG2 ARG 54 9.172 -1.348 -5.149 404 HG3 ARG 54 HG3 ARG 54 9.698 -2.890 -5.825 405 HD2 ARG 54 HD2 ARG 54 10.263 -0.161 -7.016 406 HD3 ARG 54 HD3 ARG 54 11.424 -1.154 -6.137 407 HE ARG 54 HE ARG 54 10.770 -2.849 -8.060 408 HH11 ARG 54 HH21 ARG 54 11.266 0.572 -8.197 409 HH12 ARG 54 HH22 ARG 54 11.821 0.565 -9.838 410 HH21 ARG 54 HH11 ARG 54 11.493 -2.867 -10.211 411 HH22 ARG 54 HH12 ARG 54 11.947 -1.384 -10.980 412 H CYS 55 H CYS 55 4.939 0.066 -5.897 413 HA CYS 55 HA CYS 55 6.333 2.545 -6.384 414 HB2 CYS 55 HB2 CYS 55 4.054 3.515 -5.670 415 HB3 CYS 55 HB3 CYS 55 4.106 2.549 -7.144 416 H ASN 56 H ASN 56 4.541 1.253 -3.568 417 HA ASN 56 HA ASN 56 5.438 3.280 -1.791 418 HB2 ASN 56 HB2 ASN 56 3.492 2.157 -1.109 419 HB3 ASN 56 HB3 ASN 56 4.192 0.568 -1.411 420 HD21 ASN 56 HD21 ASN 56 3.605 2.900 1.023 421 HD22 ASN 56 HD22 ASN 56 4.606 2.236 2.222 422 H LYS 57 H LYS 57 6.758 2.796 0.191 423 HA LYS 57 HA LYS 57 8.955 0.907 -0.377 424 HB2 LYS 57 HB2 LYS 57 10.571 2.584 0.437 425 HB3 LYS 57 HB3 LYS 57 9.720 3.153 -0.999 426 HG2 LYS 57 HG2 LYS 57 8.412 3.804 1.574 427 HG3 LYS 57 HG3 LYS 57 9.956 4.609 1.293 428 HD2 LYS 57 HD2 LYS 57 8.031 4.551 -0.982 429 HD3 LYS 57 HD3 LYS 57 7.641 5.610 0.374 430 HE2 LYS 57 HE2 LYS 57 9.608 6.876 0.116 431 HE3 LYS 57 HE3 LYS 57 10.399 5.619 -0.836 432 HZ1 LYS 57 HZ1 LYS 57 9.728 6.785 -2.591 433 HZ2 LYS 57 HZ2 LYS 57 8.635 7.717 -1.683 434 HZ3 LYS 57 HZ3 LYS 57 8.172 6.192 -2.271 Start of MODEL 16 1 H1 LEU 1 H1 LEU 1 1.633 -6.839 -10.420 2 H2 LEU 1 H2 LEU 1 2.568 -5.683 -11.242 3 H3 LEU 1 H3 LEU 1 0.881 -5.715 -11.443 4 HA LEU 1 HA LEU 1 2.056 -4.013 -9.825 5 HB2 LEU 1 HB2 LEU 1 -0.573 -5.244 -10.056 6 HB3 LEU 1 HB3 LEU 1 -0.250 -4.719 -8.403 7 HG LEU 1 HG LEU 1 0.397 -2.881 -10.688 8 HD11 LEU 1 HD11 LEU 1 -2.307 -3.652 -9.669 9 HD12 LEU 1 HD12 LEU 1 -1.816 -3.173 -11.293 10 HD13 LEU 1 HD13 LEU 1 -2.013 -1.952 -10.036 11 HD21 LEU 1 HD21 LEU 1 -0.446 -2.552 -7.793 12 HD22 LEU 1 HD22 LEU 1 -0.217 -1.205 -8.908 13 HD23 LEU 1 HD23 LEU 1 1.150 -2.233 -8.474 14 H LYS 2 H LYS 2 2.878 -3.841 -7.776 15 HA LYS 2 HA LYS 2 2.598 -5.962 -5.840 16 HB2 LYS 2 HB2 LYS 2 4.924 -6.593 -5.709 17 HB3 LYS 2 HB3 LYS 2 4.384 -6.827 -7.371 18 HG2 LYS 2 HG2 LYS 2 5.246 -4.170 -7.301 19 HG3 LYS 2 HG3 LYS 2 6.441 -5.040 -6.339 20 HD2 LYS 2 HD2 LYS 2 6.431 -6.765 -8.282 21 HD3 LYS 2 HD3 LYS 2 5.669 -5.478 -9.218 22 HE2 LYS 2 HE2 LYS 2 7.576 -3.970 -8.547 23 HE3 LYS 2 HE3 LYS 2 8.362 -5.377 -7.835 24 HZ1 LYS 2 HZ1 LYS 2 8.542 -6.410 -9.911 25 HZ2 LYS 2 HZ2 LYS 2 8.987 -4.796 -10.198 26 HZ3 LYS 2 HZ3 LYS 2 7.444 -5.347 -10.647 27 H CYS 3 H CYS 3 3.763 -5.467 -3.820 28 HA CYS 3 HA CYS 3 4.959 -2.912 -3.406 29 HB2 CYS 3 HB2 CYS 3 2.694 -2.696 -1.709 30 HB3 CYS 3 HB3 CYS 3 3.165 -1.625 -3.027 31 H TYR 4 H TYR 4 4.474 -2.518 -0.742 32 HA TYR 4 HA TYR 4 5.672 -4.935 0.408 33 HB2 TYR 4 HB2 TYR 4 5.589 -2.048 1.255 34 HB3 TYR 4 HB3 TYR 4 6.090 -3.323 2.366 35 HD1 TYR 4 HD2 TYR 4 7.880 -5.000 1.474 36 HD2 TYR 4 HD1 TYR 4 7.159 -1.121 -0.223 37 HE1 TYR 4 HE2 TYR 4 10.119 -5.047 0.416 38 HE2 TYR 4 HE1 TYR 4 9.399 -1.167 -1.284 39 HH TYR 4 HH TYR 4 11.031 -3.172 -2.044 40 H GLN 5 H GLN 5 3.924 -6.241 0.752 41 HA GLN 5 HA GLN 5 1.697 -5.222 2.369 42 HB2 GLN 5 HB2 GLN 5 1.607 -6.808 0.222 43 HB3 GLN 5 HB3 GLN 5 1.792 -8.052 1.458 44 HG2 GLN 5 HG2 GLN 5 -0.313 -5.873 1.494 45 HG3 GLN 5 HG3 GLN 5 -0.595 -7.542 1.004 46 HE21 GLN 5 HE21 GLN 5 0.391 -9.163 2.829 47 HE22 GLN 5 HE22 GLN 5 -0.075 -8.770 4.413 48 H HIS 6 H HIS 6 4.516 -7.231 2.597 49 HA HIS 6 HA HIS 6 3.946 -7.651 5.449 50 HB2 HIS 6 HB2 HIS 6 3.393 -9.689 3.835 51 HB3 HIS 6 HB3 HIS 6 5.136 -9.936 3.942 52 HD1 HIS 6 HD1 HIS 6 5.703 -11.511 5.775 53 HD2 HIS 6 HD2 HIS 6 2.391 -9.175 6.751 54 HE1 HIS 6 HE1 HIS 6 4.990 -12.215 8.102 55 H GLY 7 H GLY 7 5.637 -5.736 4.505 56 HA2 GLY 7 HA2 GLY 7 7.754 -4.961 5.074 57 HA3 GLY 7 HA3 GLY 7 8.168 -6.585 5.619 58 H LYS 8 H LYS 8 7.290 -7.789 3.070 59 HA LYS 8 HA LYS 8 9.646 -7.044 1.450 60 HB2 LYS 8 HB2 LYS 8 8.226 -9.595 0.931 61 HB3 LYS 8 HB3 LYS 8 9.955 -9.249 0.954 62 HG2 LYS 8 HG2 LYS 8 9.731 -8.985 3.486 63 HG3 LYS 8 HG3 LYS 8 8.124 -9.696 3.318 64 HD2 LYS 8 HD2 LYS 8 8.951 -11.772 2.714 65 HD3 LYS 8 HD3 LYS 8 10.434 -11.101 2.035 66 HE2 LYS 8 HE2 LYS 8 11.510 -11.096 4.049 67 HE3 LYS 8 HE3 LYS 8 10.050 -10.673 4.942 68 HZ1 LYS 8 HZ1 LYS 8 10.510 -13.343 3.740 69 HZ2 LYS 8 HZ2 LYS 8 9.288 -12.896 4.833 70 HZ3 LYS 8 HZ3 LYS 8 10.907 -12.965 5.346 71 H VAL 9 H VAL 9 9.385 -7.343 -0.919 72 HA VAL 9 HA VAL 9 7.000 -5.990 -1.823 73 HB VAL 9 HB VAL 9 9.422 -7.068 -3.280 74 HG11 VAL 9 HG11 VAL 9 7.627 -7.140 -4.861 75 HG12 VAL 9 HG12 VAL 9 8.490 -5.634 -5.175 76 HG13 VAL 9 HG13 VAL 9 6.968 -5.610 -4.284 77 HG21 VAL 9 HG21 VAL 9 8.519 -4.393 -2.239 78 HG22 VAL 9 HG22 VAL 9 9.595 -4.471 -3.634 79 HG23 VAL 9 HG23 VAL 9 10.098 -5.164 -2.093 80 H VAL 10 H VAL 10 5.199 -7.250 -1.753 81 HA VAL 10 HA VAL 10 5.327 -9.875 -3.109 82 HB VAL 10 HB VAL 10 2.890 -9.764 -1.795 83 HG11 VAL 10 HG11 VAL 10 3.861 -11.450 -0.361 84 HG12 VAL 10 HG12 VAL 10 5.489 -10.844 -0.670 85 HG13 VAL 10 HG13 VAL 10 4.583 -11.632 -1.961 86 HG21 VAL 10 HG21 VAL 10 5.058 -8.514 -0.075 87 HG22 VAL 10 HG22 VAL 10 3.488 -9.066 0.510 88 HG23 VAL 10 HG23 VAL 10 3.582 -7.715 -0.619 89 H THR 11 H THR 11 3.536 -10.463 -4.484 90 HA THR 11 HA THR 11 2.489 -8.136 -5.927 91 HB THR 11 HB THR 11 2.694 -11.063 -6.622 92 HG1 THR 11 HG1 THR 11 4.294 -10.384 -7.821 93 HG21 THR 11 HG21 THR 11 1.825 -10.033 -8.904 94 HG22 THR 11 HG22 THR 11 1.064 -8.862 -7.828 95 HG23 THR 11 HG23 THR 11 0.686 -10.578 -7.673 96 H CYS 12 H CYS 12 0.806 -7.506 -4.499 97 HA CYS 12 HA CYS 12 -1.182 -9.194 -3.469 98 HB2 CYS 12 HB2 CYS 12 -1.871 -6.425 -4.398 99 HB3 CYS 12 HB3 CYS 12 -2.350 -7.259 -2.918 100 H HIS 13 H HIS 13 -3.499 -9.246 -4.211 101 HA HIS 13 HA HIS 13 -4.185 -8.712 -6.909 102 HB2 HIS 13 HB2 HIS 13 -2.495 -10.747 -6.948 103 HB3 HIS 13 HB3 HIS 13 -3.934 -11.661 -6.495 104 HD1 HIS 13 HD1 HIS 13 -2.526 -11.855 -9.334 105 HD2 HIS 13 HD2 HIS 13 -5.895 -9.564 -8.457 106 HE1 HIS 13 HE1 HIS 13 -3.733 -11.487 -11.530 107 H ARG 14 H ARG 14 -5.799 -11.210 -7.110 108 HA ARG 14 HA ARG 14 -7.905 -11.930 -6.552 109 HB2 ARG 14 HB2 ARG 14 -6.475 -11.618 -4.091 110 HB3 ARG 14 HB3 ARG 14 -8.142 -11.104 -3.841 111 HG2 ARG 14 HG2 ARG 14 -7.458 -13.685 -5.255 112 HG3 ARG 14 HG3 ARG 14 -7.656 -13.602 -3.505 113 HD2 ARG 14 HD2 ARG 14 -9.865 -12.228 -4.604 114 HD3 ARG 14 HD3 ARG 14 -9.686 -13.699 -5.554 115 HE ARG 14 HE ARG 14 -10.540 -13.533 -2.818 116 HH11 ARG 14 HH21 ARG 14 -8.842 -15.429 -5.162 117 HH12 ARG 14 HH22 ARG 14 -9.149 -16.937 -4.367 118 HH21 ARG 14 HH11 ARG 14 -10.947 -15.506 -1.770 119 HH22 ARG 14 HH12 ARG 14 -10.342 -16.981 -2.446 120 H ASP 15 H ASP 15 -6.941 -8.748 -6.427 121 HA ASP 15 HA ASP 15 -9.133 -7.510 -7.358 122 HB2 ASP 15 HB2 ASP 15 -9.554 -8.251 -4.529 123 HB3 ASP 15 HB3 ASP 15 -9.973 -6.591 -4.949 124 H MET 16 H MET 16 -6.753 -7.325 -4.768 125 HA MET 16 HA MET 16 -6.525 -4.541 -4.562 126 HB2 MET 16 HB2 MET 16 -4.496 -6.745 -4.151 127 HB3 MET 16 HB3 MET 16 -4.214 -5.060 -3.721 128 HG2 MET 16 HG2 MET 16 -5.775 -5.089 -2.005 129 HG3 MET 16 HG3 MET 16 -6.711 -6.389 -2.741 130 HE1 MET 16 HE1 MET 16 -5.686 -7.259 0.719 131 HE2 MET 16 HE2 MET 16 -6.487 -8.459 -0.292 132 HE3 MET 16 HE3 MET 16 -6.920 -6.759 -0.447 133 H LYS 17 H LYS 17 -6.125 -3.175 -6.181 134 HA LYS 17 HA LYS 17 -4.114 -3.953 -8.209 135 HB2 LYS 17 HB2 LYS 17 -6.792 -2.714 -8.451 136 HB3 LYS 17 HB3 LYS 17 -5.526 -2.014 -9.461 137 HG2 LYS 17 HG2 LYS 17 -4.971 -4.291 -10.299 138 HG3 LYS 17 HG3 LYS 17 -6.303 -4.944 -9.344 139 HD2 LYS 17 HD2 LYS 17 -7.605 -4.551 -11.150 140 HD3 LYS 17 HD3 LYS 17 -7.477 -2.842 -10.734 141 HE2 LYS 17 HE2 LYS 17 -5.577 -2.556 -12.194 142 HE3 LYS 17 HE3 LYS 17 -5.469 -4.293 -12.477 143 HZ1 LYS 17 HZ1 LYS 17 -6.567 -3.286 -14.322 144 HZ2 LYS 17 HZ2 LYS 17 -7.669 -2.483 -13.308 145 HZ3 LYS 17 HZ3 LYS 17 -7.720 -4.175 -13.454 146 H PHE 18 H PHE 18 -4.695 -1.977 -5.615 147 HA PHE 18 HA PHE 18 -2.691 -0.019 -6.553 148 HB2 PHE 18 HB2 PHE 18 -5.208 0.586 -4.993 149 HB3 PHE 18 HB3 PHE 18 -3.913 1.739 -5.303 150 HD1 PHE 18 HD1 PHE 18 -6.273 -0.576 -7.060 151 HD2 PHE 18 HD2 PHE 18 -3.900 2.997 -7.291 152 HE1 PHE 18 HE1 PHE 18 -7.255 -0.067 -9.279 153 HE2 PHE 18 HE2 PHE 18 -4.882 3.506 -9.509 154 HZ PHE 18 HZ PHE 18 -6.560 1.975 -10.505 155 H CYS 19 H CYS 19 -1.178 0.588 -5.074 156 HA CYS 19 HA CYS 19 -1.163 -0.926 -2.555 157 HB2 CYS 19 HB2 CYS 19 1.139 0.617 -3.747 158 HB3 CYS 19 HB3 CYS 19 1.199 -0.641 -2.517 159 H TYR 20 H TYR 20 -1.383 0.078 -0.643 160 HA TYR 20 HA TYR 20 -1.495 3.026 -0.685 161 HB2 TYR 20 HB2 TYR 20 -3.091 2.937 1.059 162 HB3 TYR 20 HB3 TYR 20 -3.572 1.672 -0.071 163 HD1 TYR 20 HD2 TYR 20 -1.667 2.284 3.079 164 HD2 TYR 20 HD1 TYR 20 -3.692 -0.592 0.612 165 HE1 TYR 20 HE2 TYR 20 -1.470 0.596 4.883 166 HE2 TYR 20 HE1 TYR 20 -3.495 -2.280 2.418 167 HH TYR 20 HH TYR 20 -3.175 -2.395 4.799 168 H HIS 21 H HIS 21 -0.677 4.193 1.096 169 HA HIS 21 HA HIS 21 1.399 2.762 2.647 170 HB2 HIS 21 HB2 HIS 21 2.274 4.322 0.866 171 HB3 HIS 21 HB3 HIS 21 1.510 5.648 1.742 172 HD1 HIS 21 HD1 HIS 21 3.067 2.797 3.614 173 HD2 HIS 21 HD2 HIS 21 4.028 6.717 2.567 174 HE1 HIS 21 HE1 HIS 21 5.106 3.426 4.979 175 H ASN 22 H ASN 22 -0.236 2.457 4.295 176 HA ASN 22 HA ASN 22 -1.456 4.751 5.538 177 HB2 ASN 22 HB2 ASN 22 -2.487 2.459 5.450 178 HB3 ASN 22 HB3 ASN 22 -1.273 1.937 6.617 179 HD21 ASN 22 HD21 ASN 22 -1.141 3.919 8.476 180 HD22 ASN 22 HD22 ASN 22 -2.662 4.229 9.164 181 H THR 23 H THR 23 -0.629 6.008 7.042 182 HA THR 23 HA THR 23 1.869 5.191 8.370 183 HB THR 23 HB THR 23 1.771 7.706 9.074 184 HG1 THR 23 HG1 THR 23 -0.179 8.344 8.426 185 HG21 THR 23 HG21 THR 23 2.649 6.339 6.658 186 HG22 THR 23 HG22 THR 23 3.476 7.573 7.608 187 HG23 THR 23 HG23 THR 23 2.322 8.046 6.361 188 H GLY 24 H GLY 24 -1.485 5.724 8.922 189 HA2 GLY 24 HA2 GLY 24 -2.787 5.749 10.828 190 HA3 GLY 24 HA3 GLY 24 -1.621 4.570 11.420 191 H MET 25 H MET 25 -2.735 6.101 13.293 192 HA MET 25 HA MET 25 -0.540 7.402 14.519 193 HB2 MET 25 HB2 MET 25 -1.443 9.067 12.676 194 HB3 MET 25 HB3 MET 25 -2.676 9.399 13.893 195 HG2 MET 25 HG2 MET 25 -1.041 10.069 15.505 196 HG3 MET 25 HG3 MET 25 0.282 9.441 14.522 197 HE1 MET 25 HE1 MET 25 -2.166 13.236 14.066 198 HE2 MET 25 HE2 MET 25 -1.352 12.755 15.552 199 HE3 MET 25 HE3 MET 25 -2.603 11.722 14.867 200 HA PRO 26 HA PRO 26 -4.304 6.297 17.083 201 HB2 PRO 26 HB2 PRO 26 -3.371 4.016 18.230 202 HB3 PRO 26 HB3 PRO 26 -4.201 4.030 16.662 203 HG2 PRO 26 HG2 PRO 26 -1.302 3.814 17.269 204 HG3 PRO 26 HG3 PRO 26 -2.252 3.037 15.993 205 HD2 PRO 26 HD2 PRO 26 -0.639 5.270 15.614 206 HD3 PRO 26 HD3 PRO 26 -1.983 4.803 14.551 207 H PHE 27 H PHE 27 -0.856 5.930 17.884 208 HA PHE 27 HA PHE 27 -1.340 7.443 20.372 209 HB2 PHE 27 HB2 PHE 27 -0.239 4.726 20.070 210 HB3 PHE 27 HB3 PHE 27 0.715 5.800 21.092 211 HD1 PHE 27 HD2 PHE 27 -0.395 6.984 23.025 212 HD2 PHE 27 HD1 PHE 27 -2.342 3.869 20.797 213 HE1 PHE 27 HE2 PHE 27 -2.034 6.692 24.864 214 HE2 PHE 27 HE1 PHE 27 -3.979 3.576 22.636 215 HZ PHE 27 HZ PHE 27 -3.825 4.988 24.670 216 H ARG 28 H ARG 28 0.747 8.283 21.301 217 HA ARG 28 HA ARG 28 2.192 9.692 19.265 218 HB2 ARG 28 HB2 ARG 28 3.628 10.209 21.477 219 HB3 ARG 28 HB3 ARG 28 2.094 11.011 21.134 220 HG2 ARG 28 HG2 ARG 28 0.895 9.614 22.610 221 HG3 ARG 28 HG3 ARG 28 2.175 8.402 22.642 222 HD2 ARG 28 HD2 ARG 28 3.487 9.623 24.111 223 HD3 ARG 28 HD3 ARG 28 2.804 11.165 23.603 224 HE ARG 28 HE ARG 28 0.789 9.616 24.852 225 HH11 ARG 28 HH21 ARG 28 3.717 11.335 25.520 226 HH12 ARG 28 HH22 ARG 28 3.275 11.734 27.147 227 HH21 ARG 28 HH11 ARG 28 0.202 10.134 26.984 228 HH22 ARG 28 HH12 ARG 28 1.284 11.053 27.975 229 H ASN 29 H ASN 29 3.814 8.864 18.116 230 HA ASN 29 HA ASN 29 5.521 7.448 17.470 231 HB2 ASN 29 HB2 ASN 29 6.480 7.770 20.313 232 HB3 ASN 29 HB3 ASN 29 7.447 7.562 18.853 233 HD21 ASN 29 HD21 ASN 29 8.492 9.665 19.690 234 HD22 ASN 29 HD22 ASN 29 7.754 11.129 19.252 235 H LEU 30 H LEU 30 3.490 5.865 17.778 236 HA LEU 30 HA LEU 30 4.615 3.452 18.932 237 HB2 LEU 30 HB2 LEU 30 3.127 4.883 20.661 238 HB3 LEU 30 HB3 LEU 30 1.843 3.980 19.856 239 HG LEU 30 HG LEU 30 3.228 1.882 20.262 240 HD11 LEU 30 HD11 LEU 30 5.113 3.820 21.109 241 HD12 LEU 30 HD12 LEU 30 5.274 2.066 21.184 242 HD13 LEU 30 HD13 LEU 30 4.613 2.950 22.559 243 HD21 LEU 30 HD21 LEU 30 1.550 1.807 21.792 244 HD22 LEU 30 HD22 LEU 30 1.724 3.516 22.194 245 HD23 LEU 30 HD23 LEU 30 2.778 2.322 22.949 246 H LYS 31 H LYS 31 4.057 1.728 17.731 247 HA LYS 31 HA LYS 31 3.203 0.599 15.903 248 HB2 LYS 31 HB2 LYS 31 0.687 1.646 17.221 249 HB3 LYS 31 HB3 LYS 31 0.710 0.397 15.977 250 HG2 LYS 31 HG2 LYS 31 2.575 -0.581 17.712 251 HG3 LYS 31 HG3 LYS 31 1.477 0.232 18.829 252 HD2 LYS 31 HD2 LYS 31 0.654 -1.796 16.729 253 HD3 LYS 31 HD3 LYS 31 0.797 -2.117 18.457 254 HE2 LYS 31 HE2 LYS 31 -0.811 0.196 18.228 255 HE3 LYS 31 HE3 LYS 31 -1.410 -0.937 17.016 256 HZ1 LYS 31 HZ1 LYS 31 -0.924 -2.466 19.236 257 HZ2 LYS 31 HZ2 LYS 31 -2.444 -1.958 18.672 258 HZ3 LYS 31 HZ3 LYS 31 -1.626 -1.052 19.854 259 H LEU 32 H LEU 32 3.709 1.443 13.960 260 HA LEU 32 HA LEU 32 1.814 3.315 12.751 261 HB2 LEU 32 HB2 LEU 32 4.031 4.478 11.827 262 HB3 LEU 32 HB3 LEU 32 3.256 5.009 13.315 263 HG LEU 32 HG LEU 32 5.342 2.834 13.357 264 HD11 LEU 32 HD11 LEU 32 6.801 4.366 12.520 265 HD12 LEU 32 HD12 LEU 32 6.706 5.075 14.132 266 HD13 LEU 32 HD13 LEU 32 5.709 5.716 12.827 267 HD21 LEU 32 HD21 LEU 32 5.463 4.594 15.580 268 HD22 LEU 32 HD22 LEU 32 4.863 2.938 15.559 269 HD23 LEU 32 HD23 LEU 32 3.753 4.280 15.289 270 H ILE 33 H ILE 33 3.027 3.834 10.405 271 HA ILE 33 HA ILE 33 3.175 2.919 8.300 272 HB ILE 33 HB ILE 33 5.330 1.800 9.968 273 HG12 ILE 33 HG12 ILE 33 6.711 2.924 8.375 274 HG13 ILE 33 HG13 ILE 33 5.408 2.982 7.188 275 HG21 ILE 33 HG21 ILE 33 4.446 0.558 7.371 276 HG22 ILE 33 HG22 ILE 33 4.923 -0.245 8.865 277 HG23 ILE 33 HG23 ILE 33 6.141 0.532 7.855 278 HD11 ILE 33 HD11 ILE 33 4.375 4.761 8.207 279 HD12 ILE 33 HD12 ILE 33 6.016 5.078 8.767 280 HD13 ILE 33 HD13 ILE 33 4.868 4.256 9.821 281 H LEU 34 H LEU 34 1.647 1.765 7.361 282 HA LEU 34 HA LEU 34 1.287 -1.046 8.152 283 HB2 LEU 34 HB2 LEU 34 -0.611 1.105 8.538 284 HB3 LEU 34 HB3 LEU 34 -1.266 -0.110 7.441 285 HG LEU 34 HG LEU 34 0.099 -0.971 9.980 286 HD11 LEU 34 HD11 LEU 34 -2.696 0.133 9.668 287 HD12 LEU 34 HD12 LEU 34 -1.475 0.573 10.864 288 HD13 LEU 34 HD13 LEU 34 -2.277 -0.995 10.959 289 HD21 LEU 34 HD21 LEU 34 -2.198 -2.095 8.344 290 HD22 LEU 34 HD22 LEU 34 -1.432 -2.878 9.724 291 HD23 LEU 34 HD23 LEU 34 -0.522 -2.630 8.235 292 H GLN 35 H GLN 35 2.602 0.393 5.904 293 HA GLN 35 HA GLN 35 1.360 0.560 3.525 294 HB2 GLN 35 HB2 GLN 35 3.489 -1.035 2.806 295 HB3 GLN 35 HB3 GLN 35 3.551 0.711 3.039 296 HG2 GLN 35 HG2 GLN 35 4.452 0.531 5.183 297 HG3 GLN 35 HG3 GLN 35 3.855 -1.114 5.404 298 HE21 GLN 35 HE21 GLN 35 5.921 -2.091 5.828 299 HE22 GLN 35 HE22 GLN 35 7.146 -2.175 4.656 300 H GLY 36 H GLY 36 0.114 -0.643 2.249 301 HA2 GLY 36 HA2 GLY 36 0.328 -3.507 2.077 302 HA3 GLY 36 HA3 GLY 36 -1.115 -2.989 2.944 303 H CYS 37 H CYS 37 -1.928 -4.264 0.914 304 HA CYS 37 HA CYS 37 -2.197 -2.421 -1.375 305 HB2 CYS 37 HB2 CYS 37 -3.267 -5.116 -1.732 306 HB3 CYS 37 HB3 CYS 37 -2.140 -4.209 -2.741 307 H SER 38 H SER 38 -4.320 -2.397 -2.464 308 HA SER 38 HA SER 38 -6.686 -3.286 -1.177 309 HB2 SER 38 HB2 SER 38 -5.956 -1.511 0.443 310 HB3 SER 38 HB3 SER 38 -6.123 -0.331 -0.854 311 HG SER 38 HG SER 38 -8.298 -1.930 -0.684 312 H SER 39 H SER 39 -8.586 -2.699 -2.344 313 HA SER 39 HA SER 39 -8.053 -2.077 -5.119 314 HB2 SER 39 HB2 SER 39 -10.858 -2.173 -4.525 315 HB3 SER 39 HB3 SER 39 -9.884 -3.320 -5.439 316 HG SER 39 HG SER 39 -10.976 -4.022 -3.384 317 H SER 40 H SER 40 -10.853 -0.860 -3.354 318 HA SER 40 HA SER 40 -10.658 1.695 -4.652 319 HB2 SER 40 HB2 SER 40 -12.527 0.409 -2.713 320 HB3 SER 40 HB3 SER 40 -12.539 2.167 -2.840 321 HG SER 40 HG SER 40 -13.185 0.208 -4.734 322 H CYS 41 H CYS 41 -8.292 1.303 -3.309 323 HA CYS 41 HA CYS 41 -7.898 2.093 -0.749 324 HB2 CYS 41 HB2 CYS 41 -6.065 1.655 -2.350 325 HB3 CYS 41 HB3 CYS 41 -6.390 3.203 -3.131 326 H SER 42 H SER 42 -7.857 4.002 0.429 327 HA SER 42 HA SER 42 -9.347 6.235 -0.795 328 HB2 SER 42 HB2 SER 42 -9.307 5.026 1.905 329 HB3 SER 42 HB3 SER 42 -9.409 6.784 1.853 330 HG SER 42 HG SER 42 -11.401 5.268 1.634 331 H GLU 43 H GLU 43 -7.384 7.052 -1.780 332 HA GLU 43 HA GLU 43 -5.005 7.707 -0.572 333 HB2 GLU 43 HB2 GLU 43 -5.658 8.090 -2.989 334 HB3 GLU 43 HB3 GLU 43 -6.463 9.567 -2.457 335 HG2 GLU 43 HG2 GLU 43 -3.774 9.367 -1.361 336 HG3 GLU 43 HG3 GLU 43 -3.759 9.302 -3.123 337 H THR 44 H THR 44 -4.620 8.736 1.282 338 HA THR 44 HA THR 44 -5.975 11.276 1.814 339 HB THR 44 HB THR 44 -5.824 9.780 4.275 340 HG1 THR 44 HG1 THR 44 -7.656 8.389 3.535 341 HG21 THR 44 HG21 THR 44 -8.028 10.598 4.550 342 HG22 THR 44 HG22 THR 44 -8.306 10.671 2.809 343 HG23 THR 44 HG23 THR 44 -7.223 11.831 3.580 344 H GLU 45 H GLU 45 -5.038 11.934 4.213 345 HA GLU 45 HA GLU 45 -2.275 12.457 3.737 346 HB2 GLU 45 HB2 GLU 45 -4.235 13.051 5.907 347 HB3 GLU 45 HB3 GLU 45 -2.518 13.183 6.287 348 HG2 GLU 45 HG2 GLU 45 -2.159 14.826 4.618 349 HG3 GLU 45 HG3 GLU 45 -3.691 14.470 3.823 350 H ASN 46 H ASN 46 -4.016 10.330 5.988 351 HA ASN 46 HA ASN 46 -1.514 9.225 6.993 352 HB2 ASN 46 HB2 ASN 46 -3.408 9.634 8.533 353 HB3 ASN 46 HB3 ASN 46 -4.377 8.473 7.627 354 HD21 ASN 46 HD21 ASN 46 -3.798 6.187 7.795 355 HD22 ASN 46 HD22 ASN 46 -2.756 5.633 9.014 356 H ASN 47 H ASN 47 -4.225 8.308 4.934 357 HA ASN 47 HA ASN 47 -2.768 5.832 4.235 358 HB2 ASN 47 HB2 ASN 47 -4.708 4.993 5.179 359 HB3 ASN 47 HB3 ASN 47 -5.682 6.363 4.647 360 HD21 ASN 47 HD21 ASN 47 -3.605 3.912 2.982 361 HD22 ASN 47 HD22 ASN 47 -4.761 3.535 1.797 362 H LYS 48 H LYS 48 -1.687 6.411 2.431 363 HA LYS 48 HA LYS 48 -2.966 8.035 0.384 364 HB2 LYS 48 HB2 LYS 48 -0.230 6.752 0.538 365 HB3 LYS 48 HB3 LYS 48 -0.774 7.793 -0.778 366 HG2 LYS 48 HG2 LYS 48 0.107 9.458 0.505 367 HG3 LYS 48 HG3 LYS 48 -1.417 9.329 1.378 368 HD2 LYS 48 HD2 LYS 48 -0.387 7.722 2.944 369 HD3 LYS 48 HD3 LYS 48 1.144 7.863 2.077 370 HE2 LYS 48 HE2 LYS 48 -0.125 10.401 2.978 371 HE3 LYS 48 HE3 LYS 48 0.568 9.371 4.230 372 HZ1 LYS 48 HZ1 LYS 48 2.383 9.425 2.135 373 HZ2 LYS 48 HZ2 LYS 48 2.548 10.140 3.667 374 HZ3 LYS 48 HZ3 LYS 48 1.896 11.031 2.376 375 H CYS 49 H CYS 49 -2.089 7.065 -1.951 376 HA CYS 49 HA CYS 49 -2.746 4.241 -2.236 377 HB2 CYS 49 HB2 CYS 49 -4.456 6.338 -3.593 378 HB3 CYS 49 HB3 CYS 49 -4.640 4.588 -3.701 379 H CYS 50 H CYS 50 -1.484 3.427 -3.787 380 HA CYS 50 HA CYS 50 -0.786 5.091 -6.099 381 HB2 CYS 50 HB2 CYS 50 1.568 4.776 -5.855 382 HB3 CYS 50 HB3 CYS 50 0.979 5.366 -4.301 383 H SER 51 H SER 51 0.628 3.713 -7.645 384 HA SER 51 HA SER 51 0.129 0.854 -7.533 385 HB2 SER 51 HB2 SER 51 -0.800 1.527 -10.097 386 HB3 SER 51 HB3 SER 51 -1.749 0.883 -8.759 387 HG SER 51 HG SER 51 -2.512 2.822 -8.365 388 H THR 52 H THR 52 2.376 2.837 -7.722 389 HA THR 52 HA THR 52 3.509 2.155 -10.347 390 HB THR 52 HB THR 52 4.997 3.858 -8.414 391 HG1 THR 52 HG1 THR 52 2.762 4.495 -8.288 392 HG21 THR 52 HG21 THR 52 4.411 4.658 -11.209 393 HG22 THR 52 HG22 THR 52 5.356 3.182 -11.011 394 HG23 THR 52 HG23 THR 52 5.935 4.697 -10.320 395 H ASP 53 H ASP 53 3.200 0.313 -7.973 396 HA ASP 53 HA ASP 53 4.386 -1.441 -7.086 397 HB2 ASP 53 HB2 ASP 53 6.799 -0.670 -8.684 398 HB3 ASP 53 HB3 ASP 53 6.200 -2.276 -8.271 399 H ARG 54 H ARG 54 5.731 -1.800 -5.335 400 HA ARG 54 HA ARG 54 6.629 -1.009 -3.326 401 HB2 ARG 54 HB2 ARG 54 8.815 0.114 -5.036 402 HB3 ARG 54 HB3 ARG 54 8.933 -0.828 -3.550 403 HG2 ARG 54 HG2 ARG 54 8.273 -2.851 -4.702 404 HG3 ARG 54 HG3 ARG 54 7.920 -1.950 -6.177 405 HD2 ARG 54 HD2 ARG 54 10.448 -3.010 -5.261 406 HD3 ARG 54 HD3 ARG 54 10.045 -2.298 -6.821 407 HE ARG 54 HE ARG 54 11.183 -0.894 -4.512 408 HH11 ARG 54 HH21 ARG 54 9.852 -0.841 -7.706 409 HH12 ARG 54 HH22 ARG 54 10.495 0.719 -8.097 410 HH21 ARG 54 HH11 ARG 54 12.027 1.152 -5.015 411 HH22 ARG 54 HH12 ARG 54 11.727 1.848 -6.573 412 H CYS 55 H CYS 55 4.904 0.946 -4.796 413 HA CYS 55 HA CYS 55 6.157 3.512 -4.178 414 HB2 CYS 55 HB2 CYS 55 4.016 4.431 -5.127 415 HB3 CYS 55 HB3 CYS 55 4.933 3.424 -6.249 416 H ASN 56 H ASN 56 4.437 1.196 -2.519 417 HA ASN 56 HA ASN 56 2.589 2.716 -1.015 418 HB2 ASN 56 HB2 ASN 56 2.675 0.856 0.594 419 HB3 ASN 56 HB3 ASN 56 2.557 0.260 -1.060 420 HD21 ASN 56 HD21 ASN 56 4.891 0.796 1.602 421 HD22 ASN 56 HD22 ASN 56 6.016 -0.349 1.051 422 H LYS 57 H LYS 57 5.647 3.468 -1.307 423 HA LYS 57 HA LYS 57 6.010 4.180 1.541 424 HB2 LYS 57 HB2 LYS 57 8.502 4.432 0.462 425 HB3 LYS 57 HB3 LYS 57 7.920 2.984 1.284 426 HG2 LYS 57 HG2 LYS 57 7.404 1.892 -0.745 427 HG3 LYS 57 HG3 LYS 57 7.440 3.398 -1.665 428 HD2 LYS 57 HD2 LYS 57 9.481 2.269 -2.185 429 HD3 LYS 57 HD3 LYS 57 9.913 3.555 -1.058 430 HE2 LYS 57 HE2 LYS 57 9.302 0.727 -0.171 431 HE3 LYS 57 HE3 LYS 57 10.933 1.286 -0.542 432 HZ1 LYS 57 HZ1 LYS 57 10.101 3.219 1.082 433 HZ2 LYS 57 HZ2 LYS 57 10.920 1.833 1.623 434 HZ3 LYS 57 HZ3 LYS 57 9.226 1.914 1.719 Start of MODEL 17 1 H1 LEU 1 H1 LEU 1 3.035 -7.061 -10.490 2 H2 LEU 1 H2 LEU 1 3.437 -5.543 -9.840 3 H3 LEU 1 H3 LEU 1 2.439 -5.646 -11.210 4 HA LEU 1 HA LEU 1 1.050 -5.172 -9.359 5 HB2 LEU 1 HB2 LEU 1 0.880 -8.129 -10.011 6 HB3 LEU 1 HB3 LEU 1 -0.437 -7.103 -9.440 7 HG LEU 1 HG LEU 1 1.041 -6.293 -11.917 8 HD11 LEU 1 HD11 LEU 1 -1.068 -7.683 -12.941 9 HD12 LEU 1 HD12 LEU 1 -0.622 -8.718 -11.585 10 HD13 LEU 1 HD13 LEU 1 0.568 -8.330 -12.827 11 HD21 LEU 1 HD21 LEU 1 -1.899 -6.176 -11.745 12 HD22 LEU 1 HD22 LEU 1 -0.748 -4.914 -12.186 13 HD23 LEU 1 HD23 LEU 1 -1.070 -5.259 -10.486 14 H LYS 2 H LYS 2 2.993 -4.962 -7.775 15 HA LYS 2 HA LYS 2 2.365 -6.575 -5.465 16 HB2 LYS 2 HB2 LYS 2 4.531 -7.538 -5.123 17 HB3 LYS 2 HB3 LYS 2 4.037 -7.962 -6.762 18 HG2 LYS 2 HG2 LYS 2 5.314 -5.475 -7.016 19 HG3 LYS 2 HG3 LYS 2 6.317 -6.389 -5.888 20 HD2 LYS 2 HD2 LYS 2 5.377 -7.388 -8.594 21 HD3 LYS 2 HD3 LYS 2 6.998 -6.790 -8.237 22 HE2 LYS 2 HE2 LYS 2 6.025 -8.883 -6.394 23 HE3 LYS 2 HE3 LYS 2 6.267 -9.418 -8.057 24 HZ1 LYS 2 HZ1 LYS 2 8.308 -9.687 -6.907 25 HZ2 LYS 2 HZ2 LYS 2 8.248 -8.110 -6.279 26 HZ3 LYS 2 HZ3 LYS 2 8.498 -8.357 -7.941 27 H CYS 3 H CYS 3 3.382 -5.749 -3.521 28 HA CYS 3 HA CYS 3 4.932 -3.307 -3.707 29 HB2 CYS 3 HB2 CYS 3 2.116 -3.273 -2.599 30 HB3 CYS 3 HB3 CYS 3 3.284 -1.962 -2.427 31 H TYR 4 H TYR 4 4.816 -2.323 -1.252 32 HA TYR 4 HA TYR 4 6.039 -4.390 0.344 33 HB2 TYR 4 HB2 TYR 4 5.564 -1.442 0.774 34 HB3 TYR 4 HB3 TYR 4 6.324 -2.477 1.984 35 HD1 TYR 4 HD1 TYR 4 8.231 -4.063 1.023 36 HD2 TYR 4 HD2 TYR 4 6.949 -0.383 -0.779 37 HE1 TYR 4 HE1 TYR 4 10.381 -3.911 -0.190 38 HE2 TYR 4 HE2 TYR 4 9.105 -0.225 -1.995 39 HH TYR 4 HH TYR 4 11.360 -1.051 -1.850 40 H GLN 5 H GLN 5 4.410 -5.803 0.847 41 HA GLN 5 HA GLN 5 2.150 -4.776 2.434 42 HB2 GLN 5 HB2 GLN 5 1.935 -6.384 0.380 43 HB3 GLN 5 HB3 GLN 5 2.401 -7.625 1.544 44 HG2 GLN 5 HG2 GLN 5 0.508 -6.180 2.938 45 HG3 GLN 5 HG3 GLN 5 -0.127 -6.155 1.295 46 HE21 GLN 5 HE21 GLN 5 -1.853 -7.678 1.816 47 HE22 GLN 5 HE22 GLN 5 -1.522 -9.317 2.113 48 H HIS 6 H HIS 6 5.140 -6.396 2.749 49 HA HIS 6 HA HIS 6 4.647 -6.779 5.600 50 HB2 HIS 6 HB2 HIS 6 5.207 -9.026 3.681 51 HB3 HIS 6 HB3 HIS 6 5.731 -9.126 5.363 52 HD1 HIS 6 HD1 HIS 6 3.089 -10.331 3.492 53 HD2 HIS 6 HD2 HIS 6 3.179 -8.062 6.988 54 HE1 HIS 6 HE1 HIS 6 0.843 -10.656 4.615 55 H GLY 7 H GLY 7 6.279 -4.973 4.070 56 HA2 GLY 7 HA2 GLY 7 8.362 -4.034 4.659 57 HA3 GLY 7 HA3 GLY 7 8.866 -5.600 5.289 58 H LYS 8 H LYS 8 7.857 -6.934 2.805 59 HA LYS 8 HA LYS 8 10.027 -6.106 0.971 60 HB2 LYS 8 HB2 LYS 8 9.124 -8.929 0.920 61 HB3 LYS 8 HB3 LYS 8 10.745 -8.257 0.742 62 HG2 LYS 8 HG2 LYS 8 10.491 -7.637 3.271 63 HG3 LYS 8 HG3 LYS 8 9.220 -8.862 3.263 64 HD2 LYS 8 HD2 LYS 8 11.984 -9.413 2.168 65 HD3 LYS 8 HD3 LYS 8 11.578 -9.674 3.864 66 HE2 LYS 8 HE2 LYS 8 10.372 -11.539 3.409 67 HE3 LYS 8 HE3 LYS 8 9.613 -10.809 1.995 68 HZ1 LYS 8 HZ1 LYS 8 12.298 -11.153 1.390 69 HZ2 LYS 8 HZ2 LYS 8 10.973 -11.993 0.738 70 HZ3 LYS 8 HZ3 LYS 8 11.783 -12.604 2.101 71 H VAL 9 H VAL 9 9.528 -5.924 -1.161 72 HA VAL 9 HA VAL 9 6.925 -5.457 -1.999 73 HB VAL 9 HB VAL 9 8.034 -6.091 -4.342 74 HG11 VAL 9 HG11 VAL 9 8.465 -3.742 -2.516 75 HG12 VAL 9 HG12 VAL 9 7.500 -3.843 -3.989 76 HG13 VAL 9 HG13 VAL 9 9.260 -3.780 -4.090 77 HG21 VAL 9 HG21 VAL 9 10.365 -6.192 -4.338 78 HG22 VAL 9 HG22 VAL 9 9.985 -7.092 -2.870 79 HG23 VAL 9 HG23 VAL 9 10.497 -5.407 -2.764 80 H VAL 10 H VAL 10 5.413 -7.005 -1.541 81 HA VAL 10 HA VAL 10 5.814 -9.649 -2.811 82 HB VAL 10 HB VAL 10 4.268 -10.547 -1.099 83 HG11 VAL 10 HG11 VAL 10 5.932 -9.786 0.900 84 HG12 VAL 10 HG12 VAL 10 6.888 -9.286 -0.496 85 HG13 VAL 10 HG13 VAL 10 6.382 -10.968 -0.328 86 HG21 VAL 10 HG21 VAL 10 4.175 -8.788 0.945 87 HG22 VAL 10 HG22 VAL 10 2.905 -8.889 -0.275 88 HG23 VAL 10 HG23 VAL 10 4.156 -7.653 -0.406 89 H THR 11 H THR 11 4.011 -10.630 -3.799 90 HA THR 11 HA THR 11 2.236 -8.761 -5.100 91 HB THR 11 HB THR 11 2.391 -11.783 -5.240 92 HG1 THR 11 HG1 THR 11 3.450 -11.281 -7.219 93 HG21 THR 11 HG21 THR 11 1.298 -10.507 -7.567 94 HG22 THR 11 HG22 THR 11 0.388 -9.989 -6.148 95 HG23 THR 11 HG23 THR 11 0.547 -11.706 -6.516 96 H CYS 12 H CYS 12 0.367 -8.096 -4.259 97 HA CYS 12 HA CYS 12 -0.790 -9.221 -1.925 98 HB2 CYS 12 HB2 CYS 12 -2.386 -7.547 -3.830 99 HB3 CYS 12 HB3 CYS 12 -2.368 -7.523 -2.068 100 H HIS 13 H HIS 13 -3.583 -9.012 -2.868 101 HA HIS 13 HA HIS 13 -3.938 -11.781 -3.602 102 HB2 HIS 13 HB2 HIS 13 -5.420 -10.150 -2.103 103 HB3 HIS 13 HB3 HIS 13 -6.209 -9.850 -3.652 104 HD1 HIS 13 HD1 HIS 13 -5.592 -12.548 -1.111 105 HD2 HIS 13 HD2 HIS 13 -7.626 -12.078 -4.720 106 HE1 HIS 13 HE1 HIS 13 -7.063 -14.592 -1.376 107 H ARG 14 H ARG 14 -5.943 -11.992 -5.295 108 HA ARG 14 HA ARG 14 -4.813 -11.018 -7.813 109 HB2 ARG 14 HB2 ARG 14 -6.766 -13.175 -7.065 110 HB3 ARG 14 HB3 ARG 14 -6.694 -12.580 -8.724 111 HG2 ARG 14 HG2 ARG 14 -4.269 -13.067 -8.788 112 HG3 ARG 14 HG3 ARG 14 -4.358 -13.690 -7.140 113 HD2 ARG 14 HD2 ARG 14 -4.525 -15.351 -9.174 114 HD3 ARG 14 HD3 ARG 14 -5.563 -15.576 -7.768 115 HE ARG 14 HE ARG 14 -6.655 -13.953 -9.942 116 HH11 ARG 14 HH21 ARG 14 -6.402 -17.002 -8.330 117 HH12 ARG 14 HH22 ARG 14 -7.862 -17.641 -9.011 118 HH21 ARG 14 HH11 ARG 14 -8.572 -14.784 -10.842 119 HH22 ARG 14 HH12 ARG 14 -9.089 -16.385 -10.432 120 H ASP 15 H ASP 15 -6.739 -9.645 -5.687 121 HA ASP 15 HA ASP 15 -8.631 -8.594 -7.705 122 HB2 ASP 15 HB2 ASP 15 -9.757 -9.760 -5.861 123 HB3 ASP 15 HB3 ASP 15 -8.938 -8.722 -4.696 124 H MET 16 H MET 16 -6.537 -7.766 -4.967 125 HA MET 16 HA MET 16 -6.938 -4.988 -4.980 126 HB2 MET 16 HB2 MET 16 -4.661 -6.751 -4.103 127 HB3 MET 16 HB3 MET 16 -4.561 -4.995 -3.980 128 HG2 MET 16 HG2 MET 16 -5.406 -5.786 -1.875 129 HG3 MET 16 HG3 MET 16 -6.766 -5.058 -2.730 130 HE1 MET 16 HE1 MET 16 -8.615 -7.025 -0.955 131 HE2 MET 16 HE2 MET 16 -7.023 -6.467 -0.448 132 HE3 MET 16 HE3 MET 16 -7.402 -8.186 -0.399 133 H LYS 17 H LYS 17 -6.138 -3.357 -6.193 134 HA LYS 17 HA LYS 17 -4.066 -3.996 -8.198 135 HB2 LYS 17 HB2 LYS 17 -6.792 -2.843 -8.619 136 HB3 LYS 17 HB3 LYS 17 -5.468 -2.273 -9.635 137 HG2 LYS 17 HG2 LYS 17 -4.927 -4.669 -10.165 138 HG3 LYS 17 HG3 LYS 17 -6.385 -5.140 -9.290 139 HD2 LYS 17 HD2 LYS 17 -7.349 -3.181 -10.954 140 HD3 LYS 17 HD3 LYS 17 -6.112 -3.931 -11.963 141 HE2 LYS 17 HE2 LYS 17 -7.189 -6.178 -11.121 142 HE3 LYS 17 HE3 LYS 17 -8.586 -5.156 -10.780 143 HZ1 LYS 17 HZ1 LYS 17 -8.086 -4.310 -13.191 144 HZ2 LYS 17 HZ2 LYS 17 -9.001 -5.718 -12.932 145 HZ3 LYS 17 HZ3 LYS 17 -7.359 -5.835 -13.352 146 H PHE 18 H PHE 18 -4.984 -2.103 -5.639 147 HA PHE 18 HA PHE 18 -3.194 0.094 -6.496 148 HB2 PHE 18 HB2 PHE 18 -5.551 0.406 -4.634 149 HB3 PHE 18 HB3 PHE 18 -4.558 1.681 -5.339 150 HD1 PHE 18 HD1 PHE 18 -7.107 -0.906 -6.054 151 HD2 PHE 18 HD2 PHE 18 -4.870 2.408 -7.622 152 HE1 PHE 18 HE1 PHE 18 -8.597 -0.838 -8.034 153 HE2 PHE 18 HE2 PHE 18 -6.359 2.475 -9.604 154 HZ PHE 18 HZ PHE 18 -8.223 0.852 -9.810 155 H CYS 19 H CYS 19 -1.578 0.598 -5.140 156 HA CYS 19 HA CYS 19 -1.408 -0.919 -2.621 157 HB2 CYS 19 HB2 CYS 19 0.740 0.524 -4.189 158 HB3 CYS 19 HB3 CYS 19 0.999 -0.391 -2.706 159 H TYR 20 H TYR 20 -1.185 0.113 -0.665 160 HA TYR 20 HA TYR 20 -1.192 3.063 -0.751 161 HB2 TYR 20 HB2 TYR 20 -2.853 3.164 0.963 162 HB3 TYR 20 HB3 TYR 20 -3.459 2.070 -0.278 163 HD1 TYR 20 HD2 TYR 20 -3.307 -0.413 0.061 164 HD2 TYR 20 HD1 TYR 20 -2.353 2.392 3.171 165 HE1 TYR 20 HE2 TYR 20 -3.487 -2.223 1.748 166 HE2 TYR 20 HE1 TYR 20 -2.531 0.583 4.857 167 HH TYR 20 HH TYR 20 -2.232 -2.172 4.635 168 H HIS 21 H HIS 21 -0.176 4.131 0.891 169 HA HIS 21 HA HIS 21 1.534 2.475 2.655 170 HB2 HIS 21 HB2 HIS 21 2.621 3.954 0.835 171 HB3 HIS 21 HB3 HIS 21 2.138 5.316 1.846 172 HD1 HIS 21 HD1 HIS 21 2.691 2.850 4.249 173 HD2 HIS 21 HD2 HIS 21 5.294 5.038 1.839 174 HE1 HIS 21 HE1 HIS 21 4.957 2.762 5.377 175 H ASN 22 H ASN 22 0.034 2.406 4.358 176 HA ASN 22 HA ASN 22 -1.070 4.869 5.411 177 HB2 ASN 22 HB2 ASN 22 -2.407 2.826 5.478 178 HB3 ASN 22 HB3 ASN 22 -1.177 2.035 6.462 179 HD21 ASN 22 HD21 ASN 22 -4.021 3.930 6.616 180 HD22 ASN 22 HD22 ASN 22 -3.921 4.359 8.255 181 H THR 23 H THR 23 -0.150 6.134 6.865 182 HA THR 23 HA THR 23 2.214 5.140 8.315 183 HB THR 23 HB THR 23 2.246 7.768 8.834 184 HG1 THR 23 HG1 THR 23 1.437 8.879 7.068 185 HG21 THR 23 HG21 THR 23 3.094 6.611 6.165 186 HG22 THR 23 HG22 THR 23 3.979 6.376 7.673 187 HG23 THR 23 HG23 THR 23 3.808 7.994 6.993 188 H GLY 24 H GLY 24 -1.072 6.017 8.714 189 HA2 GLY 24 HA2 GLY 24 -2.412 6.331 10.567 190 HA3 GLY 24 HA3 GLY 24 -1.350 5.142 11.314 191 H MET 25 H MET 25 0.438 5.854 12.554 192 HA MET 25 HA MET 25 0.257 8.685 13.393 193 HB2 MET 25 HB2 MET 25 0.934 6.221 15.013 194 HB3 MET 25 HB3 MET 25 1.125 7.872 15.605 195 HG2 MET 25 HG2 MET 25 -1.514 7.215 14.412 196 HG3 MET 25 HG3 MET 25 -1.145 6.440 15.953 197 HE1 MET 25 HE1 MET 25 -3.526 9.320 16.834 198 HE2 MET 25 HE2 MET 25 -3.402 7.715 16.120 199 HE3 MET 25 HE3 MET 25 -3.387 9.137 15.079 200 HA PRO 26 HA PRO 26 4.459 9.069 12.092 201 HB2 PRO 26 HB2 PRO 26 5.229 11.167 13.688 202 HB3 PRO 26 HB3 PRO 26 4.216 11.350 12.244 203 HG2 PRO 26 HG2 PRO 26 3.430 11.287 15.111 204 HG3 PRO 26 HG3 PRO 26 2.796 12.278 13.786 205 HD2 PRO 26 HD2 PRO 26 1.498 10.064 14.735 206 HD3 PRO 26 HD3 PRO 26 1.362 10.619 13.051 207 H PHE 27 H PHE 27 6.042 7.691 12.629 208 HA PHE 27 HA PHE 27 6.479 6.204 14.794 209 HB2 PHE 27 HB2 PHE 27 8.792 7.673 13.523 210 HB3 PHE 27 HB3 PHE 27 8.798 6.063 14.243 211 HD1 PHE 27 HD2 PHE 27 7.712 4.166 13.109 212 HD2 PHE 27 HD1 PHE 27 7.878 8.061 11.307 213 HE1 PHE 27 HE2 PHE 27 7.089 3.179 10.921 214 HE2 PHE 27 HE1 PHE 27 7.254 7.074 9.118 215 HZ PHE 27 HZ PHE 27 6.860 4.633 8.926 216 H ARG 28 H ARG 28 5.967 6.980 16.796 217 HA ARG 28 HA ARG 28 7.651 9.183 17.831 218 HB2 ARG 28 HB2 ARG 28 4.936 9.217 17.675 219 HB3 ARG 28 HB3 ARG 28 5.165 8.533 19.285 220 HG2 ARG 28 HG2 ARG 28 5.155 10.863 19.670 221 HG3 ARG 28 HG3 ARG 28 6.871 10.454 19.631 222 HD2 ARG 28 HD2 ARG 28 6.462 10.921 17.002 223 HD3 ARG 28 HD3 ARG 28 5.248 12.000 17.682 224 HE ARG 28 HE ARG 28 8.111 12.329 17.819 225 HH11 ARG 28 HH21 ARG 28 5.061 12.984 19.318 226 HH12 ARG 28 HH22 ARG 28 5.612 14.408 20.134 227 HH21 ARG 28 HH11 ARG 28 8.840 14.197 18.883 228 HH22 ARG 28 HH12 ARG 28 7.752 15.095 19.887 229 H ASN 29 H ASN 29 6.289 5.999 18.402 230 HA ASN 29 HA ASN 29 8.422 5.323 20.201 231 HB2 ASN 29 HB2 ASN 29 5.682 5.916 21.267 232 HB3 ASN 29 HB3 ASN 29 6.663 4.661 22.023 233 HD21 ASN 29 HD21 ASN 29 9.230 5.722 21.916 234 HD22 ASN 29 HD22 ASN 29 9.296 7.184 22.776 235 H LEU 30 H LEU 30 6.924 4.459 17.719 236 HA LEU 30 HA LEU 30 7.174 1.666 18.086 237 HB2 LEU 30 HB2 LEU 30 4.749 1.080 17.767 238 HB3 LEU 30 HB3 LEU 30 5.126 1.775 19.343 239 HG LEU 30 HG LEU 30 4.581 3.976 17.678 240 HD11 LEU 30 HD11 LEU 30 2.682 1.662 17.224 241 HD12 LEU 30 HD12 LEU 30 3.521 2.625 16.008 242 HD13 LEU 30 HD13 LEU 30 2.219 3.342 16.956 243 HD21 LEU 30 HD21 LEU 30 3.059 2.509 19.838 244 HD22 LEU 30 HD22 LEU 30 2.431 3.989 19.111 245 HD23 LEU 30 HD23 LEU 30 3.971 4.013 19.971 246 H LYS 31 H LYS 31 5.916 0.514 16.153 247 HA LYS 31 HA LYS 31 6.250 2.219 13.759 248 HB2 LYS 31 HB2 LYS 31 7.022 -0.685 14.129 249 HB3 LYS 31 HB3 LYS 31 7.046 0.168 12.585 250 HG2 LYS 31 HG2 LYS 31 8.428 1.635 14.710 251 HG3 LYS 31 HG3 LYS 31 9.147 0.057 14.390 252 HD2 LYS 31 HD2 LYS 31 9.135 0.638 11.935 253 HD3 LYS 31 HD3 LYS 31 8.637 2.270 12.386 254 HE2 LYS 31 HE2 LYS 31 11.184 0.868 13.247 255 HE3 LYS 31 HE3 LYS 31 11.063 2.216 12.116 256 HZ1 LYS 31 HZ1 LYS 31 10.891 3.674 13.770 257 HZ2 LYS 31 HZ2 LYS 31 11.434 2.430 14.794 258 HZ3 LYS 31 HZ3 LYS 31 9.770 2.730 14.623 259 H LEU 32 H LEU 32 3.909 2.563 14.074 260 HA LEU 32 HA LEU 32 2.053 0.416 13.857 261 HB2 LEU 32 HB2 LEU 32 1.957 3.253 14.187 262 HB3 LEU 32 HB3 LEU 32 0.899 2.817 12.845 263 HG LEU 32 HG LEU 32 0.854 1.513 15.583 264 HD11 LEU 32 HD11 LEU 32 -1.586 2.792 15.045 265 HD12 LEU 32 HD12 LEU 32 -0.349 3.951 14.555 266 HD13 LEU 32 HD13 LEU 32 -0.358 3.312 16.199 267 HD21 LEU 32 HD21 LEU 32 -0.274 -0.114 14.493 268 HD22 LEU 32 HD22 LEU 32 -0.261 0.810 12.991 269 HD23 LEU 32 HD23 LEU 32 -1.540 1.070 14.177 270 H ILE 33 H ILE 33 4.158 0.363 11.829 271 HA ILE 33 HA ILE 33 3.507 1.220 9.310 272 HB ILE 33 HB ILE 33 5.532 -0.096 9.875 273 HG12 ILE 33 HG12 ILE 33 5.069 -1.798 7.808 274 HG13 ILE 33 HG13 ILE 33 3.747 -0.655 7.572 275 HG21 ILE 33 HG21 ILE 33 5.466 -2.365 10.386 276 HG22 ILE 33 HG22 ILE 33 3.908 -2.602 9.594 277 HG23 ILE 33 HG23 ILE 33 3.986 -1.806 11.166 278 HD11 ILE 33 HD11 ILE 33 5.423 1.212 7.719 279 HD12 ILE 33 HD12 ILE 33 5.668 0.150 6.333 280 HD13 ILE 33 HD13 ILE 33 6.701 -0.003 7.755 281 H LEU 34 H LEU 34 1.866 0.899 7.926 282 HA LEU 34 HA LEU 34 0.216 -1.521 8.213 283 HB2 LEU 34 HB2 LEU 34 -0.663 1.302 8.553 284 HB3 LEU 34 HB3 LEU 34 -1.742 0.215 7.679 285 HG LEU 34 HG LEU 34 -0.555 -0.841 10.192 286 HD11 LEU 34 HD11 LEU 34 -1.122 1.431 10.889 287 HD12 LEU 34 HD12 LEU 34 -2.312 0.306 11.544 288 HD13 LEU 34 HD13 LEU 34 -2.712 1.292 10.137 289 HD21 LEU 34 HD21 LEU 34 -2.889 -1.732 10.389 290 HD22 LEU 34 HD22 LEU 34 -2.102 -2.192 8.878 291 HD23 LEU 34 HD23 LEU 34 -3.296 -0.894 8.891 292 H GLN 35 H GLN 35 2.246 -0.485 6.260 293 HA GLN 35 HA GLN 35 0.918 0.310 3.877 294 HB2 GLN 35 HB2 GLN 35 3.030 -0.351 2.756 295 HB3 GLN 35 HB3 GLN 35 3.316 0.663 4.171 296 HG2 GLN 35 HG2 GLN 35 3.696 -1.410 5.517 297 HG3 GLN 35 HG3 GLN 35 3.551 -2.355 4.037 298 HE21 GLN 35 HE21 GLN 35 5.980 -2.313 5.583 299 HE22 GLN 35 HE22 GLN 35 7.178 -1.552 4.652 300 H GLY 36 H GLY 36 -0.117 -0.846 2.357 301 HA2 GLY 36 HA2 GLY 36 0.349 -3.641 1.906 302 HA3 GLY 36 HA3 GLY 36 -1.162 -3.357 2.762 303 H CYS 37 H CYS 37 -2.333 -4.174 0.952 304 HA CYS 37 HA CYS 37 -2.490 -2.256 -1.290 305 HB2 CYS 37 HB2 CYS 37 -3.347 -5.028 -1.819 306 HB3 CYS 37 HB3 CYS 37 -2.442 -3.913 -2.840 307 H SER 38 H SER 38 -4.610 -2.358 -2.443 308 HA SER 38 HA SER 38 -6.893 -3.340 -0.962 309 HB2 SER 38 HB2 SER 38 -6.522 -1.303 0.290 310 HB3 SER 38 HB3 SER 38 -6.361 -0.369 -1.195 311 HG SER 38 HG SER 38 -8.639 -1.676 -1.351 312 H SER 39 H SER 39 -8.971 -2.592 -2.089 313 HA SER 39 HA SER 39 -8.500 -2.730 -4.992 314 HB2 SER 39 HB2 SER 39 -10.074 -4.329 -4.813 315 HB3 SER 39 HB3 SER 39 -10.481 -3.844 -3.170 316 HG SER 39 HG SER 39 -11.250 -2.159 -5.254 317 H SER 40 H SER 40 -9.538 -0.619 -2.513 318 HA SER 40 HA SER 40 -10.186 1.427 -4.507 319 HB2 SER 40 HB2 SER 40 -12.034 0.592 -2.264 320 HB3 SER 40 HB3 SER 40 -12.189 2.114 -3.139 321 HG SER 40 HG SER 40 -12.322 0.838 -5.070 322 H CYS 41 H CYS 41 -7.857 1.204 -3.038 323 HA CYS 41 HA CYS 41 -7.457 2.233 -0.607 324 HB2 CYS 41 HB2 CYS 41 -5.619 1.826 -2.167 325 HB3 CYS 41 HB3 CYS 41 -6.091 3.233 -3.118 326 H SER 42 H SER 42 -7.678 4.119 0.513 327 HA SER 42 HA SER 42 -9.208 6.260 -0.826 328 HB2 SER 42 HB2 SER 42 -9.381 4.986 1.790 329 HB3 SER 42 HB3 SER 42 -9.299 6.742 1.907 330 HG SER 42 HG SER 42 -11.009 5.389 0.097 331 H GLU 43 H GLU 43 -7.121 7.022 -1.706 332 HA GLU 43 HA GLU 43 -4.860 7.812 -0.480 333 HB2 GLU 43 HB2 GLU 43 -5.863 8.358 -2.884 334 HB3 GLU 43 HB3 GLU 43 -6.171 9.923 -2.129 335 HG2 GLU 43 HG2 GLU 43 -3.626 9.456 -1.284 336 HG3 GLU 43 HG3 GLU 43 -3.599 8.649 -2.851 337 H THR 44 H THR 44 -4.301 9.003 1.216 338 HA THR 44 HA THR 44 -5.737 11.407 1.937 339 HB THR 44 HB THR 44 -5.669 9.985 4.379 340 HG1 THR 44 HG1 THR 44 -7.391 8.538 2.831 341 HG21 THR 44 HG21 THR 44 -7.858 10.906 2.513 342 HG22 THR 44 HG22 THR 44 -7.281 11.690 3.984 343 HG23 THR 44 HG23 THR 44 -8.204 10.191 4.087 344 H GLU 45 H GLU 45 -4.759 12.280 4.085 345 HA GLU 45 HA GLU 45 -1.983 12.597 3.705 346 HB2 GLU 45 HB2 GLU 45 -3.531 14.206 4.883 347 HB3 GLU 45 HB3 GLU 45 -3.495 13.118 6.271 348 HG2 GLU 45 HG2 GLU 45 -1.649 14.246 6.922 349 HG3 GLU 45 HG3 GLU 45 -0.815 13.393 5.624 350 H ASN 46 H ASN 46 -3.857 10.513 5.859 351 HA ASN 46 HA ASN 46 -1.431 9.446 7.082 352 HB2 ASN 46 HB2 ASN 46 -3.983 9.826 8.024 353 HB3 ASN 46 HB3 ASN 46 -3.975 8.101 7.661 354 HD21 ASN 46 HD21 ASN 46 -0.884 8.237 8.164 355 HD22 ASN 46 HD22 ASN 46 -0.774 8.165 9.856 356 H ASN 47 H ASN 47 -3.953 8.501 4.813 357 HA ASN 47 HA ASN 47 -2.381 6.078 4.180 358 HB2 ASN 47 HB2 ASN 47 -4.296 5.189 5.196 359 HB3 ASN 47 HB3 ASN 47 -5.350 6.415 4.496 360 HD21 ASN 47 HD21 ASN 47 -5.794 6.236 2.121 361 HD22 ASN 47 HD22 ASN 47 -5.657 4.725 1.359 362 H LYS 48 H LYS 48 -1.393 6.561 2.322 363 HA LYS 48 HA LYS 48 -2.726 8.195 0.308 364 HB2 LYS 48 HB2 LYS 48 0.007 6.892 0.282 365 HB3 LYS 48 HB3 LYS 48 -0.588 8.074 -0.885 366 HG2 LYS 48 HG2 LYS 48 -0.224 9.814 0.520 367 HG3 LYS 48 HG3 LYS 48 -0.878 8.941 1.907 368 HD2 LYS 48 HD2 LYS 48 1.476 9.345 2.317 369 HD3 LYS 48 HD3 LYS 48 1.263 7.623 1.998 370 HE2 LYS 48 HE2 LYS 48 3.188 8.442 0.739 371 HE3 LYS 48 HE3 LYS 48 1.892 8.022 -0.382 372 HZ1 LYS 48 HZ1 LYS 48 3.181 10.380 -0.348 373 HZ2 LYS 48 HZ2 LYS 48 1.802 10.739 0.578 374 HZ3 LYS 48 HZ3 LYS 48 1.634 10.138 -1.001 375 H CYS 49 H CYS 49 -1.822 7.189 -2.043 376 HA CYS 49 HA CYS 49 -2.648 4.387 -2.245 377 HB2 CYS 49 HB2 CYS 49 -4.046 6.597 -3.773 378 HB3 CYS 49 HB3 CYS 49 -4.333 4.865 -3.952 379 H CYS 50 H CYS 50 -1.651 3.338 -3.859 380 HA CYS 50 HA CYS 50 -0.009 4.938 -5.729 381 HB2 CYS 50 HB2 CYS 50 0.667 2.715 -3.958 382 HB3 CYS 50 HB3 CYS 50 1.150 2.430 -5.628 383 H SER 51 H SER 51 0.808 2.949 -7.415 384 HA SER 51 HA SER 51 -1.691 1.783 -8.467 385 HB2 SER 51 HB2 SER 51 0.343 3.462 -9.920 386 HB3 SER 51 HB3 SER 51 -0.682 2.318 -10.780 387 HG SER 51 HG SER 51 -2.263 3.677 -10.578 388 H THR 52 H THR 52 0.454 0.595 -6.915 389 HA THR 52 HA THR 52 1.450 -1.476 -6.879 390 HB THR 52 HB THR 52 -0.244 -1.623 -9.053 391 HG1 THR 52 HG1 THR 52 0.950 -3.190 -7.296 392 HG21 THR 52 HG21 THR 52 0.937 -2.644 -10.863 393 HG22 THR 52 HG22 THR 52 2.427 -2.740 -9.925 394 HG23 THR 52 HG23 THR 52 1.833 -1.176 -10.478 395 H ASP 53 H ASP 53 3.426 -2.556 -7.703 396 HA ASP 53 HA ASP 53 5.565 -2.554 -8.598 397 HB2 ASP 53 HB2 ASP 53 4.288 -0.923 -10.358 398 HB3 ASP 53 HB3 ASP 53 5.452 0.201 -9.659 399 H ARG 54 H ARG 54 5.562 -2.256 -6.087 400 HA ARG 54 HA ARG 54 6.319 -1.131 -4.194 401 HB2 ARG 54 HB2 ARG 54 8.701 -0.576 -4.393 402 HB3 ARG 54 HB3 ARG 54 8.347 -2.102 -5.203 403 HG2 ARG 54 HG2 ARG 54 8.402 -1.082 -7.362 404 HG3 ARG 54 HG3 ARG 54 8.377 0.541 -6.671 405 HD2 ARG 54 HD2 ARG 54 10.615 0.559 -6.436 406 HD3 ARG 54 HD3 ARG 54 10.600 -1.001 -5.620 407 HE ARG 54 HE ARG 54 11.030 -2.042 -7.677 408 HH11 ARG 54 HH21 ARG 54 10.340 1.330 -8.023 409 HH12 ARG 54 HH22 ARG 54 10.857 1.409 -9.674 410 HH21 ARG 54 HH11 ARG 54 11.707 -1.949 -9.843 411 HH22 ARG 54 HH12 ARG 54 11.632 -0.447 -10.705 412 H CYS 55 H CYS 55 4.807 0.523 -6.250 413 HA CYS 55 HA CYS 55 5.897 3.115 -6.385 414 HB2 CYS 55 HB2 CYS 55 4.104 2.690 -7.842 415 HB3 CYS 55 HB3 CYS 55 3.094 2.038 -6.553 416 H ASN 56 H ASN 56 4.515 1.378 -3.768 417 HA ASN 56 HA ASN 56 3.503 3.538 -2.235 418 HB2 ASN 56 HB2 ASN 56 3.815 0.722 -1.925 419 HB3 ASN 56 HB3 ASN 56 4.536 1.500 -0.516 420 HD21 ASN 56 HD21 ASN 56 1.684 2.436 -2.521 421 HD22 ASN 56 HD22 ASN 56 0.603 2.481 -1.213 422 H LYS 57 H LYS 57 6.440 3.409 -3.411 423 HA LYS 57 HA LYS 57 7.899 4.094 -0.956 424 HB2 LYS 57 HB2 LYS 57 9.896 3.847 -2.216 425 HB3 LYS 57 HB3 LYS 57 8.851 2.520 -2.724 426 HG2 LYS 57 HG2 LYS 57 8.101 3.915 -4.662 427 HG3 LYS 57 HG3 LYS 57 9.274 5.143 -4.186 428 HD2 LYS 57 HD2 LYS 57 10.553 2.554 -4.286 429 HD3 LYS 57 HD3 LYS 57 9.737 2.878 -5.815 430 HE2 LYS 57 HE2 LYS 57 10.835 5.192 -5.739 431 HE3 LYS 57 HE3 LYS 57 11.847 4.553 -4.444 432 HZ1 LYS 57 HZ1 LYS 57 12.432 4.348 -7.045 433 HZ2 LYS 57 HZ2 LYS 57 11.642 2.867 -6.786 434 HZ3 LYS 57 HZ3 LYS 57 13.004 3.280 -5.858 Start of MODEL 18 1 H1 LEU 1 H1 LEU 1 -0.328 -3.347 -8.355 2 H2 LEU 1 H2 LEU 1 0.360 -3.600 -9.888 3 H3 LEU 1 H3 LEU 1 1.325 -3.698 -8.493 4 HA LEU 1 HA LEU 1 -0.985 -5.480 -8.669 5 HB2 LEU 1 HB2 LEU 1 0.271 -5.463 -10.919 6 HB3 LEU 1 HB3 LEU 1 1.623 -6.165 -10.030 7 HG LEU 1 HG LEU 1 -0.340 -7.781 -9.149 8 HD11 LEU 1 HD11 LEU 1 -1.774 -6.323 -10.918 9 HD12 LEU 1 HD12 LEU 1 -2.129 -8.014 -10.561 10 HD13 LEU 1 HD13 LEU 1 -1.186 -7.594 -11.991 11 HD21 LEU 1 HD21 LEU 1 1.477 -8.879 -10.072 12 HD22 LEU 1 HD22 LEU 1 1.480 -7.877 -11.522 13 HD23 LEU 1 HD23 LEU 1 0.289 -9.167 -11.343 14 H LYS 2 H LYS 2 2.082 -4.388 -7.545 15 HA LYS 2 HA LYS 2 1.930 -6.226 -5.285 16 HB2 LYS 2 HB2 LYS 2 3.940 -7.321 -5.604 17 HB3 LYS 2 HB3 LYS 2 3.382 -7.181 -7.270 18 HG2 LYS 2 HG2 LYS 2 4.665 -4.930 -7.298 19 HG3 LYS 2 HG3 LYS 2 5.468 -5.532 -5.848 20 HD2 LYS 2 HD2 LYS 2 6.874 -6.222 -7.629 21 HD3 LYS 2 HD3 LYS 2 5.948 -7.664 -7.213 22 HE2 LYS 2 HE2 LYS 2 5.241 -7.765 -9.346 23 HE3 LYS 2 HE3 LYS 2 4.381 -6.246 -9.090 24 HZ1 LYS 2 HZ1 LYS 2 5.823 -5.212 -10.388 25 HZ2 LYS 2 HZ2 LYS 2 6.574 -6.696 -10.728 26 HZ3 LYS 2 HZ3 LYS 2 7.129 -5.736 -9.442 27 H CYS 3 H CYS 3 3.450 -5.642 -3.564 28 HA CYS 3 HA CYS 3 4.912 -3.179 -3.698 29 HB2 CYS 3 HB2 CYS 3 3.026 -2.657 -1.620 30 HB3 CYS 3 HB3 CYS 3 3.342 -1.713 -3.076 31 H TYR 4 H TYR 4 5.166 -2.471 -1.135 32 HA TYR 4 HA TYR 4 6.408 -4.825 0.062 33 HB2 TYR 4 HB2 TYR 4 6.626 -1.865 0.464 34 HB3 TYR 4 HB3 TYR 4 7.164 -2.958 1.737 35 HD1 TYR 4 HD2 TYR 4 8.856 -4.760 1.172 36 HD2 TYR 4 HD1 TYR 4 7.934 -1.519 -1.487 37 HE1 TYR 4 HE2 TYR 4 10.960 -5.179 -0.066 38 HE2 TYR 4 HE1 TYR 4 10.037 -1.938 -2.728 39 HH TYR 4 HH TYR 4 11.623 -3.725 -3.106 40 H GLN 5 H GLN 5 4.721 -5.980 0.906 41 HA GLN 5 HA GLN 5 2.832 -4.665 2.706 42 HB2 GLN 5 HB2 GLN 5 2.279 -6.524 0.976 43 HB3 GLN 5 HB3 GLN 5 2.919 -7.622 2.198 44 HG2 GLN 5 HG2 GLN 5 1.347 -6.618 3.861 45 HG3 GLN 5 HG3 GLN 5 0.653 -5.644 2.566 46 HE21 GLN 5 HE21 GLN 5 0.654 -8.798 4.035 47 HE22 GLN 5 HE22 GLN 5 -0.434 -9.524 2.953 48 H HIS 6 H HIS 6 5.410 -7.110 2.846 49 HA HIS 6 HA HIS 6 5.411 -6.766 5.786 50 HB2 HIS 6 HB2 HIS 6 4.614 -9.061 4.614 51 HB3 HIS 6 HB3 HIS 6 6.351 -9.356 4.695 52 HD1 HIS 6 HD1 HIS 6 4.549 -7.292 7.276 53 HD2 HIS 6 HD2 HIS 6 6.191 -11.108 6.918 54 HE1 HIS 6 HE1 HIS 6 4.571 -8.284 9.607 55 H GLY 7 H GLY 7 6.993 -5.164 4.229 56 HA2 GLY 7 HA2 GLY 7 9.190 -4.427 4.263 57 HA3 GLY 7 HA3 GLY 7 9.623 -5.880 5.160 58 H LYS 8 H LYS 8 7.908 -6.963 2.613 59 HA LYS 8 HA LYS 8 10.213 -7.064 0.774 60 HB2 LYS 8 HB2 LYS 8 8.552 -9.509 0.970 61 HB3 LYS 8 HB3 LYS 8 10.290 -9.340 0.717 62 HG2 LYS 8 HG2 LYS 8 10.477 -8.625 3.137 63 HG3 LYS 8 HG3 LYS 8 8.785 -9.080 3.331 64 HD2 LYS 8 HD2 LYS 8 9.261 -11.299 3.331 65 HD3 LYS 8 HD3 LYS 8 10.419 -11.138 2.009 66 HE2 LYS 8 HE2 LYS 8 12.069 -10.187 3.621 67 HE3 LYS 8 HE3 LYS 8 10.920 -10.478 4.926 68 HZ1 LYS 8 HZ1 LYS 8 12.142 -12.386 4.997 69 HZ2 LYS 8 HZ2 LYS 8 12.446 -12.404 3.325 70 HZ3 LYS 8 HZ3 LYS 8 10.924 -12.870 3.920 71 H VAL 9 H VAL 9 9.622 -7.603 -1.432 72 HA VAL 9 HA VAL 9 7.201 -6.284 -2.240 73 HB VAL 9 HB VAL 9 9.092 -7.915 -3.950 74 HG11 VAL 9 HG11 VAL 9 7.499 -5.490 -4.759 75 HG12 VAL 9 HG12 VAL 9 6.751 -7.087 -4.757 76 HG13 VAL 9 HG13 VAL 9 8.154 -6.773 -5.777 77 HG21 VAL 9 HG21 VAL 9 9.298 -5.180 -2.753 78 HG22 VAL 9 HG22 VAL 9 9.892 -5.412 -4.396 79 HG23 VAL 9 HG23 VAL 9 10.569 -6.359 -3.073 80 H VAL 10 H VAL 10 5.339 -7.330 -1.789 81 HA VAL 10 HA VAL 10 5.145 -10.178 -2.568 82 HB VAL 10 HB VAL 10 3.624 -10.532 -0.855 83 HG11 VAL 10 HG11 VAL 10 5.157 -8.197 0.303 84 HG12 VAL 10 HG12 VAL 10 5.922 -9.746 -0.044 85 HG13 VAL 10 HG13 VAL 10 4.611 -9.655 1.133 86 HG21 VAL 10 HG21 VAL 10 2.001 -8.837 -1.429 87 HG22 VAL 10 HG22 VAL 10 3.110 -7.546 -0.967 88 HG23 VAL 10 HG23 VAL 10 2.426 -8.603 0.268 89 H THR 11 H THR 11 3.413 -10.876 -3.811 90 HA THR 11 HA THR 11 2.082 -8.761 -5.355 91 HB THR 11 HB THR 11 3.308 -10.537 -6.582 92 HG1 THR 11 HG1 THR 11 1.259 -11.247 -7.746 93 HG21 THR 11 HG21 THR 11 2.458 -12.246 -4.708 94 HG22 THR 11 HG22 THR 11 2.861 -12.782 -6.339 95 HG23 THR 11 HG23 THR 11 1.177 -12.506 -5.894 96 H CYS 12 H CYS 12 0.346 -8.118 -4.160 97 HA CYS 12 HA CYS 12 -1.295 -9.707 -2.554 98 HB2 CYS 12 HB2 CYS 12 -2.649 -7.515 -3.990 99 HB3 CYS 12 HB3 CYS 12 -2.495 -7.808 -2.257 100 H HIS 13 H HIS 13 -3.853 -9.600 -3.230 101 HA HIS 13 HA HIS 13 -4.251 -11.761 -4.959 102 HB2 HIS 13 HB2 HIS 13 -6.046 -9.663 -3.786 103 HB3 HIS 13 HB3 HIS 13 -6.681 -10.793 -4.980 104 HD1 HIS 13 HD1 HIS 13 -4.728 -13.167 -3.947 105 HD2 HIS 13 HD2 HIS 13 -7.426 -10.972 -1.649 106 HE1 HIS 13 HE1 HIS 13 -5.273 -14.593 -1.926 107 H ARG 14 H ARG 14 -5.743 -11.642 -6.920 108 HA ARG 14 HA ARG 14 -4.456 -10.099 -8.944 109 HB2 ARG 14 HB2 ARG 14 -6.881 -11.886 -8.901 110 HB3 ARG 14 HB3 ARG 14 -6.414 -11.000 -10.353 111 HG2 ARG 14 HG2 ARG 14 -4.157 -12.370 -9.080 112 HG3 ARG 14 HG3 ARG 14 -5.426 -13.476 -9.601 113 HD2 ARG 14 HD2 ARG 14 -5.212 -12.889 -11.839 114 HD3 ARG 14 HD3 ARG 14 -4.548 -11.301 -11.466 115 HE ARG 14 HE ARG 14 -3.070 -13.815 -11.614 116 HH11 ARG 14 HH21 ARG 14 -3.188 -10.487 -10.676 117 HH12 ARG 14 HH22 ARG 14 -1.467 -10.293 -10.636 118 HH21 ARG 14 HH11 ARG 14 -0.811 -13.570 -11.563 119 HH22 ARG 14 HH12 ARG 14 -0.121 -12.039 -11.140 120 H ASP 15 H ASP 15 -7.134 -9.539 -6.851 121 HA ASP 15 HA ASP 15 -8.471 -7.595 -8.492 122 HB2 ASP 15 HB2 ASP 15 -8.655 -8.397 -5.596 123 HB3 ASP 15 HB3 ASP 15 -9.536 -7.001 -6.215 124 H MET 16 H MET 16 -6.722 -7.229 -5.398 125 HA MET 16 HA MET 16 -6.513 -4.508 -5.287 126 HB2 MET 16 HB2 MET 16 -4.717 -6.725 -4.391 127 HB3 MET 16 HB3 MET 16 -4.159 -5.062 -4.248 128 HG2 MET 16 HG2 MET 16 -5.674 -4.547 -2.618 129 HG3 MET 16 HG3 MET 16 -6.927 -5.570 -3.320 130 HE1 MET 16 HE1 MET 16 -6.902 -7.053 0.054 131 HE2 MET 16 HE2 MET 16 -7.728 -7.538 -1.425 132 HE3 MET 16 HE3 MET 16 -7.516 -5.826 -1.062 133 H LYS 17 H LYS 17 -5.850 -3.081 -6.746 134 HA LYS 17 HA LYS 17 -3.504 -3.766 -8.413 135 HB2 LYS 17 HB2 LYS 17 -5.923 -3.493 -9.476 136 HB3 LYS 17 HB3 LYS 17 -5.517 -1.779 -9.367 137 HG2 LYS 17 HG2 LYS 17 -3.195 -2.736 -10.381 138 HG3 LYS 17 HG3 LYS 17 -4.327 -3.899 -11.070 139 HD2 LYS 17 HD2 LYS 17 -5.586 -2.181 -12.153 140 HD3 LYS 17 HD3 LYS 17 -4.773 -0.912 -11.236 141 HE2 LYS 17 HE2 LYS 17 -2.599 -1.757 -12.327 142 HE3 LYS 17 HE3 LYS 17 -3.642 -2.637 -13.443 143 HZ1 LYS 17 HZ1 LYS 17 -3.023 0.147 -13.357 144 HZ2 LYS 17 HZ2 LYS 17 -4.701 -0.119 -13.347 145 HZ3 LYS 17 HZ3 LYS 17 -3.744 -0.758 -14.597 146 H PHE 18 H PHE 18 -4.503 -1.945 -5.893 147 HA PHE 18 HA PHE 18 -2.611 0.221 -6.565 148 HB2 PHE 18 HB2 PHE 18 -5.147 0.526 -4.953 149 HB3 PHE 18 HB3 PHE 18 -3.998 1.802 -5.345 150 HD1 PHE 18 HD2 PHE 18 -6.375 -0.647 -6.850 151 HD2 PHE 18 HD1 PHE 18 -4.085 2.942 -7.423 152 HE1 PHE 18 HE2 PHE 18 -7.548 -0.239 -8.997 153 HE2 PHE 18 HE1 PHE 18 -5.259 3.350 -9.568 154 HZ PHE 18 HZ PHE 18 -6.991 1.759 -10.357 155 H CYS 19 H CYS 19 -1.114 0.700 -5.071 156 HA CYS 19 HA CYS 19 -1.152 -0.882 -2.585 157 HB2 CYS 19 HB2 CYS 19 1.160 0.624 -3.817 158 HB3 CYS 19 HB3 CYS 19 1.237 -0.502 -2.465 159 H TYR 20 H TYR 20 -1.334 0.098 -0.639 160 HA TYR 20 HA TYR 20 -1.318 3.052 -0.650 161 HB2 TYR 20 HB2 TYR 20 -3.057 3.056 0.972 162 HB3 TYR 20 HB3 TYR 20 -3.550 1.918 -0.281 163 HD1 TYR 20 HD1 TYR 20 -3.350 -0.536 0.101 164 HD2 TYR 20 HD2 TYR 20 -2.537 2.321 3.204 165 HE1 TYR 20 HE1 TYR 20 -3.515 -2.334 1.801 166 HE2 TYR 20 HE2 TYR 20 -2.701 0.522 4.904 167 HH TYR 20 HH TYR 20 -2.454 -1.950 4.991 168 H HIS 21 H HIS 21 -0.529 4.153 1.125 169 HA HIS 21 HA HIS 21 1.161 2.585 2.978 170 HB2 HIS 21 HB2 HIS 21 2.254 4.045 1.046 171 HB3 HIS 21 HB3 HIS 21 1.939 5.356 2.180 172 HD1 HIS 21 HD1 HIS 21 4.843 4.352 1.509 173 HD2 HIS 21 HD2 HIS 21 2.613 3.150 4.820 174 HE1 HIS 21 HE1 HIS 21 6.507 3.545 3.239 175 H ASN 22 H ASN 22 0.059 2.716 4.866 176 HA ASN 22 HA ASN 22 -1.399 5.128 5.571 177 HB2 ASN 22 HB2 ASN 22 -1.625 2.420 6.228 178 HB3 ASN 22 HB3 ASN 22 -1.105 3.201 7.720 179 HD21 ASN 22 HD21 ASN 22 -3.871 2.294 6.209 180 HD22 ASN 22 HD22 ASN 22 -4.918 3.518 6.745 181 H THR 23 H THR 23 -0.723 6.715 6.875 182 HA THR 23 HA THR 23 1.925 6.410 8.146 183 HB THR 23 HB THR 23 2.324 8.658 7.772 184 HG1 THR 23 HG1 THR 23 0.093 9.056 8.760 185 HG21 THR 23 HG21 THR 23 0.352 7.902 5.599 186 HG22 THR 23 HG22 THR 23 2.078 7.544 5.601 187 HG23 THR 23 HG23 THR 23 1.524 9.215 5.495 188 H GLY 24 H GLY 24 -1.417 6.748 8.753 189 HA2 GLY 24 HA2 GLY 24 -2.614 6.837 10.719 190 HA3 GLY 24 HA3 GLY 24 -1.104 6.517 11.566 191 H MET 25 H MET 25 -2.030 8.031 13.162 192 HA MET 25 HA MET 25 -1.592 10.851 12.381 193 HB2 MET 25 HB2 MET 25 -3.694 9.535 13.986 194 HB3 MET 25 HB3 MET 25 -3.056 11.036 14.659 195 HG2 MET 25 HG2 MET 25 -3.768 10.926 11.746 196 HG3 MET 25 HG3 MET 25 -5.051 11.117 12.939 197 HE1 MET 25 HE1 MET 25 -5.878 13.480 13.461 198 HE2 MET 25 HE2 MET 25 -5.685 13.167 11.738 199 HE3 MET 25 HE3 MET 25 -5.201 14.726 12.404 200 HA PRO 26 HA PRO 26 1.998 9.940 15.086 201 HB2 PRO 26 HB2 PRO 26 2.374 12.825 14.396 202 HB3 PRO 26 HB3 PRO 26 3.553 11.500 14.388 203 HG2 PRO 26 HG2 PRO 26 2.501 12.449 12.130 204 HG3 PRO 26 HG3 PRO 26 2.882 10.731 12.337 205 HD2 PRO 26 HD2 PRO 26 0.225 12.071 12.286 206 HD3 PRO 26 HD3 PRO 26 0.658 10.404 11.849 207 H PHE 27 H PHE 27 0.329 9.813 16.833 208 HA PHE 27 HA PHE 27 0.392 12.259 18.492 209 HB2 PHE 27 HB2 PHE 27 -1.916 10.829 17.468 210 HB3 PHE 27 HB3 PHE 27 -1.912 10.845 19.232 211 HD1 PHE 27 HD1 PHE 27 -1.481 13.083 16.262 212 HD2 PHE 27 HD2 PHE 27 -2.575 12.771 20.404 213 HE1 PHE 27 HE1 PHE 27 -2.216 15.452 16.247 214 HE2 PHE 27 HE2 PHE 27 -3.311 15.139 20.388 215 HZ PHE 27 HZ PHE 27 -3.131 16.480 18.311 216 H ARG 28 H ARG 28 -1.112 9.168 19.239 217 HA ARG 28 HA ARG 28 0.766 8.862 21.485 218 HB2 ARG 28 HB2 ARG 28 -0.969 7.095 22.187 219 HB3 ARG 28 HB3 ARG 28 -1.460 8.787 22.270 220 HG2 ARG 28 HG2 ARG 28 -2.766 8.634 20.316 221 HG3 ARG 28 HG3 ARG 28 -1.956 7.161 19.781 222 HD2 ARG 28 HD2 ARG 28 -4.284 6.824 20.734 223 HD3 ARG 28 HD3 ARG 28 -3.020 5.851 21.480 224 HE ARG 28 HE ARG 28 -3.660 8.405 22.764 225 HH11 ARG 28 HH21 ARG 28 -3.956 4.961 22.626 226 HH12 ARG 28 HH22 ARG 28 -4.463 4.800 24.274 227 HH21 ARG 28 HH11 ARG 28 -4.325 8.203 24.925 228 HH22 ARG 28 HH12 ARG 28 -4.672 6.636 25.576 229 H ASN 29 H ASN 29 2.431 7.531 21.186 230 HA ASN 29 HA ASN 29 3.751 5.861 20.299 231 HB2 ASN 29 HB2 ASN 29 1.858 4.694 21.730 232 HB3 ASN 29 HB3 ASN 29 1.340 4.098 20.153 233 HD21 ASN 29 HD21 ASN 29 2.344 2.193 19.503 234 HD22 ASN 29 HD22 ASN 29 3.848 1.645 20.070 235 H LEU 30 H LEU 30 3.689 4.018 18.491 236 HA LEU 30 HA LEU 30 2.417 5.211 16.100 237 HB2 LEU 30 HB2 LEU 30 5.086 3.789 16.170 238 HB3 LEU 30 HB3 LEU 30 4.365 4.642 14.805 239 HG LEU 30 HG LEU 30 5.063 5.964 17.440 240 HD11 LEU 30 HD11 LEU 30 6.615 5.579 14.894 241 HD12 LEU 30 HD12 LEU 30 7.171 5.454 16.563 242 HD13 LEU 30 HD13 LEU 30 6.855 7.039 15.855 243 HD21 LEU 30 HD21 LEU 30 4.983 7.811 15.329 244 HD22 LEU 30 HD22 LEU 30 3.767 7.607 16.589 245 HD23 LEU 30 HD23 LEU 30 3.596 6.756 15.053 246 H LYS 31 H LYS 31 1.343 3.864 14.759 247 HA LYS 31 HA LYS 31 0.878 1.147 15.678 248 HB2 LYS 31 HB2 LYS 31 -0.271 2.591 13.279 249 HB3 LYS 31 HB3 LYS 31 -0.870 1.092 13.991 250 HG2 LYS 31 HG2 LYS 31 -0.887 2.652 16.191 251 HG3 LYS 31 HG3 LYS 31 -1.142 3.891 14.961 252 HD2 LYS 31 HD2 LYS 31 -3.103 2.793 14.131 253 HD3 LYS 31 HD3 LYS 31 -2.768 1.341 15.075 254 HE2 LYS 31 HE2 LYS 31 -4.533 3.090 15.952 255 HE3 LYS 31 HE3 LYS 31 -3.412 2.333 17.084 256 HZ1 LYS 31 HZ1 LYS 31 -1.919 4.333 16.478 257 HZ2 LYS 31 HZ2 LYS 31 -3.191 4.552 17.582 258 HZ3 LYS 31 HZ3 LYS 31 -3.367 5.055 15.967 259 H LEU 32 H LEU 32 3.511 1.448 14.870 260 HA LEU 32 HA LEU 32 5.110 0.697 13.376 261 HB2 LEU 32 HB2 LEU 32 3.028 -1.473 13.490 262 HB3 LEU 32 HB3 LEU 32 4.503 -1.667 12.543 263 HG LEU 32 HG LEU 32 4.630 -0.779 15.418 264 HD11 LEU 32 HD11 LEU 32 4.051 -3.490 14.318 265 HD12 LEU 32 HD12 LEU 32 3.579 -2.780 15.862 266 HD13 LEU 32 HD13 LEU 32 5.218 -3.389 15.636 267 HD21 LEU 32 HD21 LEU 32 6.676 -2.571 14.344 268 HD22 LEU 32 HD22 LEU 32 6.862 -0.989 15.103 269 HD23 LEU 32 HD23 LEU 32 6.506 -1.104 13.380 270 H ILE 33 H ILE 33 5.120 -0.688 11.078 271 HA ILE 33 HA ILE 33 4.216 1.237 9.164 272 HB ILE 33 HB ILE 33 6.264 -0.437 9.125 273 HG12 ILE 33 HG12 ILE 33 6.005 -0.365 6.520 274 HG13 ILE 33 HG13 ILE 33 4.559 0.582 6.868 275 HG21 ILE 33 HG21 ILE 33 5.865 -2.451 7.898 276 HG22 ILE 33 HG22 ILE 33 4.209 -1.972 7.521 277 HG23 ILE 33 HG23 ILE 33 4.646 -2.410 9.173 278 HD11 ILE 33 HD11 ILE 33 6.430 1.734 8.536 279 HD12 ILE 33 HD12 ILE 33 5.960 2.363 6.955 280 HD13 ILE 33 HD13 ILE 33 7.388 1.338 7.108 281 H LEU 34 H LEU 34 2.350 1.301 8.079 282 HA LEU 34 HA LEU 34 0.638 -1.112 8.114 283 HB2 LEU 34 HB2 LEU 34 0.060 1.707 8.817 284 HB3 LEU 34 HB3 LEU 34 -1.170 0.879 7.862 285 HG LEU 34 HG LEU 34 -0.026 -0.641 10.147 286 HD11 LEU 34 HD11 LEU 34 -0.272 1.409 11.315 287 HD12 LEU 34 HD12 LEU 34 -1.770 0.535 11.635 288 HD13 LEU 34 HD13 LEU 34 -1.742 1.828 10.435 289 HD21 LEU 34 HD21 LEU 34 -2.433 -1.294 10.342 290 HD22 LEU 34 HD22 LEU 34 -1.775 -1.603 8.736 291 HD23 LEU 34 HD23 LEU 34 -2.806 -0.199 9.011 292 H GLN 35 H GLN 35 2.320 -0.957 6.056 293 HA GLN 35 HA GLN 35 0.895 0.356 3.838 294 HB2 GLN 35 HB2 GLN 35 2.976 -0.300 2.542 295 HB3 GLN 35 HB3 GLN 35 3.224 0.873 3.836 296 HG2 GLN 35 HG2 GLN 35 3.980 -0.903 5.341 297 HG3 GLN 35 HG3 GLN 35 3.676 -2.112 4.094 298 HE21 GLN 35 HE21 GLN 35 6.298 -1.601 5.286 299 HE22 GLN 35 HE22 GLN 35 7.307 -1.041 4.041 300 H GLY 36 H GLY 36 -0.133 -0.780 2.282 301 HA2 GLY 36 HA2 GLY 36 0.408 -3.530 1.698 302 HA3 GLY 36 HA3 GLY 36 -1.060 -3.351 2.655 303 H CYS 37 H CYS 37 -1.860 -4.375 0.539 304 HA CYS 37 HA CYS 37 -2.320 -2.341 -1.537 305 HB2 CYS 37 HB2 CYS 37 -3.364 -4.989 -2.111 306 HB3 CYS 37 HB3 CYS 37 -2.227 -4.008 -3.034 307 H SER 38 H SER 38 -4.459 -2.178 -2.489 308 HA SER 38 HA SER 38 -6.754 -3.270 -1.192 309 HB2 SER 38 HB2 SER 38 -5.840 -1.506 0.468 310 HB3 SER 38 HB3 SER 38 -6.441 -0.322 -0.690 311 HG SER 38 HG SER 38 -8.097 -2.445 0.094 312 H SER 39 H SER 39 -8.331 -3.284 -2.651 313 HA SER 39 HA SER 39 -8.056 -1.881 -5.138 314 HB2 SER 39 HB2 SER 39 -9.358 -3.591 -5.778 315 HB3 SER 39 HB3 SER 39 -9.624 -4.049 -4.099 316 HG SER 39 HG SER 39 -11.418 -2.837 -4.041 317 H SER 40 H SER 40 -9.734 -0.452 -6.033 318 HA SER 40 HA SER 40 -10.666 1.674 -5.861 319 HB2 SER 40 HB2 SER 40 -12.596 0.155 -5.706 320 HB3 SER 40 HB3 SER 40 -12.400 0.075 -3.958 321 HG SER 40 HG SER 40 -12.468 2.565 -4.331 322 H CYS 41 H CYS 41 -8.422 1.657 -4.330 323 HA CYS 41 HA CYS 41 -8.804 2.321 -1.597 324 HB2 CYS 41 HB2 CYS 41 -6.641 1.593 -2.605 325 HB3 CYS 41 HB3 CYS 41 -6.546 3.149 -3.427 326 H SER 42 H SER 42 -8.997 4.282 -0.571 327 HA SER 42 HA SER 42 -9.733 6.560 -2.299 328 HB2 SER 42 HB2 SER 42 -10.852 5.443 0.134 329 HB3 SER 42 HB3 SER 42 -10.484 7.154 0.325 330 HG SER 42 HG SER 42 -12.507 6.045 -0.966 331 H GLU 43 H GLU 43 -7.582 7.279 -2.637 332 HA GLU 43 HA GLU 43 -5.532 7.674 -0.902 333 HB2 GLU 43 HB2 GLU 43 -5.631 8.341 -3.347 334 HB3 GLU 43 HB3 GLU 43 -6.410 9.835 -2.821 335 HG2 GLU 43 HG2 GLU 43 -4.399 10.048 -1.188 336 HG3 GLU 43 HG3 GLU 43 -3.619 8.863 -2.235 337 H THR 44 H THR 44 -5.338 8.602 1.021 338 HA THR 44 HA THR 44 -6.932 11.014 1.615 339 HB THR 44 HB THR 44 -7.088 10.099 3.994 340 HG1 THR 44 HG1 THR 44 -5.528 8.425 3.586 341 HG21 THR 44 HG21 THR 44 -9.174 9.975 3.104 342 HG22 THR 44 HG22 THR 44 -8.834 8.250 2.976 343 HG23 THR 44 HG23 THR 44 -8.587 9.304 1.583 344 H GLU 45 H GLU 45 -6.044 11.878 3.886 345 HA GLU 45 HA GLU 45 -3.315 12.611 3.389 346 HB2 GLU 45 HB2 GLU 45 -5.356 13.833 4.672 347 HB3 GLU 45 HB3 GLU 45 -4.485 13.163 6.051 348 HG2 GLU 45 HG2 GLU 45 -2.366 14.132 4.908 349 HG3 GLU 45 HG3 GLU 45 -3.498 15.103 3.969 350 H ASN 46 H ASN 46 -4.971 10.442 5.618 351 HA ASN 46 HA ASN 46 -2.484 9.764 6.984 352 HB2 ASN 46 HB2 ASN 46 -4.402 9.886 8.403 353 HB3 ASN 46 HB3 ASN 46 -5.349 8.866 7.321 354 HD21 ASN 46 HD21 ASN 46 -5.227 7.972 9.912 355 HD22 ASN 46 HD22 ASN 46 -4.169 6.651 10.049 356 H ASN 47 H ASN 47 -4.782 8.366 4.711 357 HA ASN 47 HA ASN 47 -2.889 6.139 4.255 358 HB2 ASN 47 HB2 ASN 47 -4.634 4.878 4.981 359 HB3 ASN 47 HB3 ASN 47 -5.810 6.156 4.692 360 HD21 ASN 47 HD21 ASN 47 -3.722 3.886 2.806 361 HD22 ASN 47 HD22 ASN 47 -4.865 3.638 1.576 362 H LYS 48 H LYS 48 -1.850 6.601 2.405 363 HA LYS 48 HA LYS 48 -3.338 7.891 0.218 364 HB2 LYS 48 HB2 LYS 48 -0.373 7.347 0.283 365 HB3 LYS 48 HB3 LYS 48 -1.248 8.532 -0.686 366 HG2 LYS 48 HG2 LYS 48 -1.982 9.546 1.582 367 HG3 LYS 48 HG3 LYS 48 -0.674 8.587 2.275 368 HD2 LYS 48 HD2 LYS 48 -0.127 10.321 -0.117 369 HD3 LYS 48 HD3 LYS 48 -0.197 11.046 1.488 370 HE2 LYS 48 HE2 LYS 48 1.782 10.134 2.112 371 HE3 LYS 48 HE3 LYS 48 1.384 8.572 1.397 372 HZ1 LYS 48 HZ1 LYS 48 2.279 9.144 -0.590 373 HZ2 LYS 48 HZ2 LYS 48 3.249 10.123 0.404 374 HZ3 LYS 48 HZ3 LYS 48 1.924 10.794 -0.420 375 H CYS 49 H CYS 49 -3.132 7.069 -1.951 376 HA CYS 49 HA CYS 49 -2.584 4.165 -2.036 377 HB2 CYS 49 HB2 CYS 49 -4.593 5.420 -3.861 378 HB3 CYS 49 HB3 CYS 49 -4.481 3.756 -3.288 379 H CYS 50 H CYS 50 -1.333 3.439 -3.627 380 HA CYS 50 HA CYS 50 -0.367 5.384 -5.626 381 HB2 CYS 50 HB2 CYS 50 1.109 3.917 -3.857 382 HB3 CYS 50 HB3 CYS 50 1.110 2.852 -5.262 383 H SER 51 H SER 51 0.370 4.196 -7.717 384 HA SER 51 HA SER 51 -1.477 1.998 -8.360 385 HB2 SER 51 HB2 SER 51 -2.290 3.059 -10.326 386 HB3 SER 51 HB3 SER 51 -2.419 4.265 -9.048 387 HG SER 51 HG SER 51 -1.446 5.173 -10.868 388 H THR 52 H THR 52 1.490 2.394 -7.933 389 HA THR 52 HA THR 52 2.345 1.178 -10.485 390 HB THR 52 HB THR 52 4.349 2.680 -8.891 391 HG1 THR 52 HG1 THR 52 2.103 3.783 -10.087 392 HG21 THR 52 HG21 THR 52 4.576 1.362 -11.144 393 HG22 THR 52 HG22 THR 52 5.389 2.918 -10.971 394 HG23 THR 52 HG23 THR 52 3.865 2.812 -11.852 395 H ASP 53 H ASP 53 4.121 -0.326 -10.289 396 HA ASP 53 HA ASP 53 3.886 -1.988 -7.962 397 HB2 ASP 53 HB2 ASP 53 5.978 -2.207 -10.127 398 HB3 ASP 53 HB3 ASP 53 5.352 -3.489 -9.090 399 H ARG 54 H ARG 54 5.335 -2.315 -6.317 400 HA ARG 54 HA ARG 54 6.914 -1.705 -4.766 401 HB2 ARG 54 HB2 ARG 54 8.249 -2.546 -6.897 402 HB3 ARG 54 HB3 ARG 54 8.765 -0.859 -6.951 403 HG2 ARG 54 HG2 ARG 54 9.557 -0.989 -4.645 404 HG3 ARG 54 HG3 ARG 54 8.968 -2.647 -4.512 405 HD2 ARG 54 HD2 ARG 54 11.513 -1.850 -5.358 406 HD3 ARG 54 HD3 ARG 54 10.819 -3.463 -5.493 407 HE ARG 54 HE ARG 54 9.855 -2.118 -7.686 408 HH11 ARG 54 HH21 ARG 54 12.958 -2.755 -6.301 409 HH12 ARG 54 HH22 ARG 54 13.791 -2.759 -7.820 410 HH21 ARG 54 HH11 ARG 54 10.941 -2.126 -9.689 411 HH22 ARG 54 HH12 ARG 54 12.651 -2.406 -9.736 412 H CYS 55 H CYS 55 5.042 0.305 -5.389 413 HA CYS 55 HA CYS 55 6.483 2.809 -5.710 414 HB2 CYS 55 HB2 CYS 55 4.357 2.878 -6.699 415 HB3 CYS 55 HB3 CYS 55 3.595 2.057 -5.338 416 H ASN 56 H ASN 56 5.265 0.811 -3.143 417 HA ASN 56 HA ASN 56 5.613 2.942 -1.161 418 HB2 ASN 56 HB2 ASN 56 4.609 1.379 0.414 419 HB3 ASN 56 HB3 ASN 56 3.611 1.490 -1.034 420 HD21 ASN 56 HD21 ASN 56 5.595 -0.191 -2.603 421 HD22 ASN 56 HD22 ASN 56 5.333 -1.779 -2.063 422 H LYS 57 H LYS 57 7.894 3.140 -1.299 423 HA LYS 57 HA LYS 57 10.012 2.768 -0.482 424 HB2 LYS 57 HB2 LYS 57 8.548 1.861 1.505 425 HB3 LYS 57 HB3 LYS 57 9.108 0.287 0.935 426 HG2 LYS 57 HG2 LYS 57 10.773 0.880 2.474 427 HG3 LYS 57 HG3 LYS 57 11.471 1.406 0.942 428 HD2 LYS 57 HD2 LYS 57 9.905 3.572 1.793 429 HD3 LYS 57 HD3 LYS 57 10.714 2.999 3.252 430 HE2 LYS 57 HE2 LYS 57 12.888 3.119 2.128 431 HE3 LYS 57 HE3 LYS 57 12.105 3.622 0.630 432 HZ1 LYS 57 HZ1 LYS 57 12.909 5.553 1.736 433 HZ2 LYS 57 HZ2 LYS 57 12.173 5.102 3.200 434 HZ3 LYS 57 HZ3 LYS 57 11.218 5.558 1.870 Start of MODEL 19 1 H1 LEU 1 H1 LEU 1 -0.540 -3.544 -9.267 2 H2 LEU 1 H2 LEU 1 1.143 -3.596 -9.495 3 H3 LEU 1 H3 LEU 1 0.493 -3.682 -7.927 4 HA LEU 1 HA LEU 1 -0.738 -5.759 -8.989 5 HB2 LEU 1 HB2 LEU 1 0.871 -5.056 -11.059 6 HB3 LEU 1 HB3 LEU 1 1.940 -6.163 -10.197 7 HG LEU 1 HG LEU 1 -0.146 -7.727 -10.106 8 HD11 LEU 1 HD11 LEU 1 -0.922 -6.431 -12.672 9 HD12 LEU 1 HD12 LEU 1 -1.435 -5.627 -11.189 10 HD13 LEU 1 HD13 LEU 1 -1.920 -7.293 -11.501 11 HD21 LEU 1 HD21 LEU 1 0.391 -8.484 -12.506 12 HD22 LEU 1 HD22 LEU 1 1.748 -8.402 -11.381 13 HD23 LEU 1 HD23 LEU 1 1.505 -7.117 -12.564 14 H LYS 2 H LYS 2 1.816 -4.272 -7.369 15 HA LYS 2 HA LYS 2 1.935 -6.291 -5.364 16 HB2 LYS 2 HB2 LYS 2 4.212 -7.025 -5.638 17 HB3 LYS 2 HB3 LYS 2 3.362 -7.324 -7.153 18 HG2 LYS 2 HG2 LYS 2 4.349 -4.690 -7.345 19 HG3 LYS 2 HG3 LYS 2 5.668 -5.643 -6.664 20 HD2 LYS 2 HD2 LYS 2 5.082 -7.366 -8.524 21 HD3 LYS 2 HD3 LYS 2 4.235 -6.020 -9.287 22 HE2 LYS 2 HE2 LYS 2 6.213 -5.359 -10.136 23 HE3 LYS 2 HE3 LYS 2 6.715 -4.966 -8.492 24 HZ1 LYS 2 HZ1 LYS 2 7.469 -7.261 -8.231 25 HZ2 LYS 2 HZ2 LYS 2 8.274 -6.481 -9.508 26 HZ3 LYS 2 HZ3 LYS 2 7.034 -7.596 -9.836 27 H CYS 3 H CYS 3 3.348 -5.675 -3.588 28 HA CYS 3 HA CYS 3 4.729 -3.162 -3.621 29 HB2 CYS 3 HB2 CYS 3 2.807 -2.690 -1.599 30 HB3 CYS 3 HB3 CYS 3 3.041 -1.784 -3.094 31 H TYR 4 H TYR 4 4.528 -2.564 -0.887 32 HA TYR 4 HA TYR 4 6.035 -4.808 0.224 33 HB2 TYR 4 HB2 TYR 4 5.717 -1.915 0.967 34 HB3 TYR 4 HB3 TYR 4 6.418 -3.070 2.099 35 HD1 TYR 4 HD1 TYR 4 8.405 -4.464 1.342 36 HD2 TYR 4 HD2 TYR 4 6.988 -1.046 -0.834 37 HE1 TYR 4 HE1 TYR 4 10.567 -4.332 0.146 38 HE2 TYR 4 HE2 TYR 4 9.154 -0.911 -2.034 39 HH TYR 4 HH TYR 4 11.876 -2.964 -1.142 40 H GLN 5 H GLN 5 4.505 -6.277 0.805 41 HA GLN 5 HA GLN 5 2.435 -5.402 2.724 42 HB2 GLN 5 HB2 GLN 5 1.728 -6.640 0.645 43 HB3 GLN 5 HB3 GLN 5 2.586 -8.048 1.271 44 HG2 GLN 5 HG2 GLN 5 1.029 -7.135 3.422 45 HG3 GLN 5 HG3 GLN 5 -0.024 -7.018 2.014 46 HE21 GLN 5 HE21 GLN 5 -0.240 -9.055 0.670 47 HE22 GLN 5 HE22 GLN 5 -0.070 -10.557 1.443 48 H HIS 6 H HIS 6 5.290 -7.328 2.362 49 HA HIS 6 HA HIS 6 5.094 -8.085 5.209 50 HB2 HIS 6 HB2 HIS 6 5.659 -9.849 2.847 51 HB3 HIS 6 HB3 HIS 6 6.390 -10.215 4.411 52 HD1 HIS 6 HD1 HIS 6 4.095 -9.424 6.289 53 HD2 HIS 6 HD2 HIS 6 3.538 -11.655 2.812 54 HE1 HIS 6 HE1 HIS 6 1.925 -10.694 6.592 55 H GLY 7 H GLY 7 6.464 -5.863 3.988 56 HA2 GLY 7 HA2 GLY 7 8.495 -4.821 4.452 57 HA3 GLY 7 HA3 GLY 7 9.119 -6.361 5.041 58 H LYS 8 H LYS 8 7.917 -7.416 2.353 59 HA LYS 8 HA LYS 8 10.139 -6.551 0.608 60 HB2 LYS 8 HB2 LYS 8 9.190 -9.349 0.356 61 HB3 LYS 8 HB3 LYS 8 10.820 -8.689 0.196 62 HG2 LYS 8 HG2 LYS 8 10.753 -8.306 2.727 63 HG3 LYS 8 HG3 LYS 8 9.317 -9.331 2.739 64 HD2 LYS 8 HD2 LYS 8 11.193 -10.769 3.179 65 HD3 LYS 8 HD3 LYS 8 10.691 -11.083 1.517 66 HE2 LYS 8 HE2 LYS 8 12.584 -8.899 1.577 67 HE3 LYS 8 HE3 LYS 8 13.257 -10.304 2.405 68 HZ1 LYS 8 HZ1 LYS 8 13.775 -10.513 0.118 69 HZ2 LYS 8 HZ2 LYS 8 12.177 -10.179 -0.354 70 HZ3 LYS 8 HZ3 LYS 8 12.545 -11.637 0.438 71 H VAL 9 H VAL 9 9.652 -6.363 -1.563 72 HA VAL 9 HA VAL 9 7.035 -5.737 -2.297 73 HB VAL 9 HB VAL 9 9.011 -6.750 -4.318 74 HG11 VAL 9 HG11 VAL 9 7.914 -5.294 -5.755 75 HG12 VAL 9 HG12 VAL 9 7.456 -4.194 -4.455 76 HG13 VAL 9 HG13 VAL 9 6.589 -5.714 -4.669 77 HG21 VAL 9 HG21 VAL 9 9.823 -4.244 -4.159 78 HG22 VAL 9 HG22 VAL 9 10.503 -5.457 -3.074 79 HG23 VAL 9 HG23 VAL 9 9.237 -4.373 -2.502 80 H VAL 10 H VAL 10 5.455 -7.222 -1.951 81 HA VAL 10 HA VAL 10 5.680 -9.740 -3.485 82 HB VAL 10 HB VAL 10 4.451 -10.890 -1.668 83 HG11 VAL 10 HG11 VAL 10 7.044 -9.519 -0.896 84 HG12 VAL 10 HG12 VAL 10 6.876 -11.071 -1.715 85 HG13 VAL 10 HG13 VAL 10 6.359 -10.899 -0.038 86 HG21 VAL 10 HG21 VAL 10 4.630 -9.547 0.592 87 HG22 VAL 10 HG22 VAL 10 3.273 -9.248 -0.494 88 HG23 VAL 10 HG23 VAL 10 4.645 -8.140 -0.471 89 H THR 11 H THR 11 3.637 -10.671 -4.113 90 HA THR 11 HA THR 11 1.744 -8.657 -4.935 91 HB THR 11 HB THR 11 2.025 -10.294 -6.569 92 HG1 THR 11 HG1 THR 11 -0.017 -10.664 -6.741 93 HG21 THR 11 HG21 THR 11 1.804 -12.792 -5.857 94 HG22 THR 11 HG22 THR 11 2.130 -12.186 -4.233 95 HG23 THR 11 HG23 THR 11 3.313 -11.946 -5.520 96 H CYS 12 H CYS 12 0.431 -7.864 -3.411 97 HA CYS 12 HA CYS 12 -0.419 -9.183 -1.083 98 HB2 CYS 12 HB2 CYS 12 -2.329 -7.221 -2.099 99 HB3 CYS 12 HB3 CYS 12 -1.372 -7.199 -0.618 100 H HIS 13 H HIS 13 -3.216 -8.743 -1.077 101 HA HIS 13 HA HIS 13 -4.280 -11.179 -1.662 102 HB2 HIS 13 HB2 HIS 13 -6.085 -8.924 -2.298 103 HB3 HIS 13 HB3 HIS 13 -6.297 -10.255 -1.162 104 HD1 HIS 13 HD1 HIS 13 -4.829 -10.041 1.120 105 HD2 HIS 13 HD2 HIS 13 -5.285 -6.548 -1.109 106 HE1 HIS 13 HE1 HIS 13 -4.238 -8.123 2.666 107 H ARG 14 H ARG 14 -5.581 -12.024 -3.372 108 HA ARG 14 HA ARG 14 -4.538 -11.363 -5.996 109 HB2 ARG 14 HB2 ARG 14 -6.587 -13.426 -5.147 110 HB3 ARG 14 HB3 ARG 14 -5.843 -13.310 -6.742 111 HG2 ARG 14 HG2 ARG 14 -3.590 -13.429 -5.409 112 HG3 ARG 14 HG3 ARG 14 -4.593 -14.115 -4.129 113 HD2 ARG 14 HD2 ARG 14 -5.509 -15.634 -6.082 114 HD3 ARG 14 HD3 ARG 14 -3.986 -15.210 -6.854 115 HE ARG 14 HE ARG 14 -2.826 -16.348 -5.107 116 HH11 ARG 14 HH21 ARG 14 -6.280 -16.450 -4.838 117 HH12 ARG 14 HH22 ARG 14 -6.288 -17.771 -3.719 118 HH21 ARG 14 HH11 ARG 14 -2.838 -18.078 -3.638 119 HH22 ARG 14 HH12 ARG 14 -4.344 -18.691 -3.040 120 H ASP 15 H ASP 15 -6.001 -9.230 -4.910 121 HA ASP 15 HA ASP 15 -7.985 -8.885 -6.988 122 HB2 ASP 15 HB2 ASP 15 -8.995 -10.028 -4.788 123 HB3 ASP 15 HB3 ASP 15 -9.070 -8.343 -4.274 124 H MET 16 H MET 16 -5.632 -7.722 -4.960 125 HA MET 16 HA MET 16 -6.570 -5.035 -4.600 126 HB2 MET 16 HB2 MET 16 -4.649 -4.714 -3.412 127 HB3 MET 16 HB3 MET 16 -4.629 -6.476 -3.411 128 HG2 MET 16 HG2 MET 16 -2.455 -5.867 -4.125 129 HG3 MET 16 HG3 MET 16 -3.304 -6.282 -5.612 130 HE1 MET 16 HE1 MET 16 -1.283 -5.112 -6.690 131 HE2 MET 16 HE2 MET 16 -0.599 -4.388 -5.236 132 HE3 MET 16 HE3 MET 16 -0.940 -3.377 -6.637 133 H LYS 17 H LYS 17 -6.243 -3.260 -5.841 134 HA LYS 17 HA LYS 17 -4.738 -3.621 -8.362 135 HB2 LYS 17 HB2 LYS 17 -7.380 -2.216 -7.918 136 HB3 LYS 17 HB3 LYS 17 -6.420 -2.052 -9.389 137 HG2 LYS 17 HG2 LYS 17 -6.482 -4.570 -9.604 138 HG3 LYS 17 HG3 LYS 17 -7.639 -4.592 -8.273 139 HD2 LYS 17 HD2 LYS 17 -9.211 -4.369 -9.895 140 HD3 LYS 17 HD3 LYS 17 -8.716 -2.677 -9.927 141 HE2 LYS 17 HE2 LYS 17 -7.899 -4.910 -11.773 142 HE3 LYS 17 HE3 LYS 17 -8.530 -3.314 -12.181 143 HZ1 LYS 17 HZ1 LYS 17 -6.121 -3.156 -10.662 144 HZ2 LYS 17 HZ2 LYS 17 -6.499 -2.457 -12.163 145 HZ3 LYS 17 HZ3 LYS 17 -5.895 -4.043 -12.089 146 H PHE 18 H PHE 18 -4.596 -2.189 -5.495 147 HA PHE 18 HA PHE 18 -2.958 0.001 -6.472 148 HB2 PHE 18 HB2 PHE 18 -5.414 0.546 -4.795 149 HB3 PHE 18 HB3 PHE 18 -4.167 1.725 -5.189 150 HD1 PHE 18 HD1 PHE 18 -6.759 -0.504 -6.669 151 HD2 PHE 18 HD2 PHE 18 -4.131 2.836 -7.293 152 HE1 PHE 18 HE1 PHE 18 -7.888 -0.018 -8.823 153 HE2 PHE 18 HE2 PHE 18 -5.259 3.323 -9.446 154 HZ PHE 18 HZ PHE 18 -7.139 1.896 -10.212 155 H CYS 19 H CYS 19 -1.374 0.520 -5.072 156 HA CYS 19 HA CYS 19 -1.349 -0.918 -2.495 157 HB2 CYS 19 HB2 CYS 19 0.968 0.377 -3.964 158 HB3 CYS 19 HB3 CYS 19 1.069 -0.654 -2.537 159 H TYR 20 H TYR 20 -1.095 0.231 -0.569 160 HA TYR 20 HA TYR 20 -0.818 3.147 -0.830 161 HB2 TYR 20 HB2 TYR 20 -2.655 3.581 0.626 162 HB3 TYR 20 HB3 TYR 20 -3.241 2.461 -0.602 163 HD1 TYR 20 HD2 TYR 20 -1.833 2.605 2.854 164 HD2 TYR 20 HD1 TYR 20 -4.136 0.360 0.006 165 HE1 TYR 20 HE2 TYR 20 -2.439 0.980 4.627 166 HE2 TYR 20 HE1 TYR 20 -4.742 -1.267 1.779 167 HH TYR 20 HH TYR 20 -3.271 -1.146 4.964 168 H HIS 21 H HIS 21 0.066 4.212 0.909 169 HA HIS 21 HA HIS 21 1.401 2.477 2.898 170 HB2 HIS 21 HB2 HIS 21 2.685 4.016 1.155 171 HB3 HIS 21 HB3 HIS 21 2.334 5.261 2.354 172 HD1 HIS 21 HD1 HIS 21 5.249 4.363 1.940 173 HD2 HIS 21 HD2 HIS 21 2.700 2.660 4.766 174 HE1 HIS 21 HE1 HIS 21 6.733 3.313 3.703 175 H ASN 22 H ASN 22 -0.030 2.497 4.582 176 HA ASN 22 HA ASN 22 -1.357 4.924 5.408 177 HB2 ASN 22 HB2 ASN 22 -2.582 2.907 5.727 178 HB3 ASN 22 HB3 ASN 22 -1.230 2.136 6.555 179 HD21 ASN 22 HD21 ASN 22 -2.068 5.506 7.220 180 HD22 ASN 22 HD22 ASN 22 -2.670 5.229 8.783 181 H THR 23 H THR 23 -0.806 6.285 7.012 182 HA THR 23 HA THR 23 1.724 5.737 8.432 183 HB THR 23 HB THR 23 2.061 8.101 8.564 184 HG1 THR 23 HG1 THR 23 0.481 9.521 8.239 185 HG21 THR 23 HG21 THR 23 2.421 6.947 6.326 186 HG22 THR 23 HG22 THR 23 2.208 8.696 6.250 187 HG23 THR 23 HG23 THR 23 0.873 7.626 5.824 188 H GLY 24 H GLY 24 -1.657 6.324 8.777 189 HA2 GLY 24 HA2 GLY 24 -3.041 6.309 10.617 190 HA3 GLY 24 HA3 GLY 24 -1.704 5.584 11.505 191 H MET 25 H MET 25 -3.642 8.306 11.194 192 HA MET 25 HA MET 25 -1.680 10.131 12.388 193 HB2 MET 25 HB2 MET 25 -3.844 10.478 10.615 194 HB3 MET 25 HB3 MET 25 -4.328 11.246 12.127 195 HG2 MET 25 HG2 MET 25 -1.720 11.746 10.659 196 HG3 MET 25 HG3 MET 25 -3.109 12.832 10.678 197 HE1 MET 25 HE1 MET 25 -0.751 14.160 11.243 198 HE2 MET 25 HE2 MET 25 0.236 12.847 11.882 199 HE3 MET 25 HE3 MET 25 -0.082 14.266 12.878 200 HA PRO 26 HA PRO 26 -5.507 9.904 15.541 201 HB2 PRO 26 HB2 PRO 26 -5.896 6.965 15.148 202 HB3 PRO 26 HB3 PRO 26 -7.091 8.222 15.524 203 HG2 PRO 26 HG2 PRO 26 -6.886 7.190 13.080 204 HG3 PRO 26 HG3 PRO 26 -7.264 8.902 13.339 205 HD2 PRO 26 HD2 PRO 26 -4.723 7.660 12.400 206 HD3 PRO 26 HD3 PRO 26 -5.402 9.259 12.029 207 H PHE 27 H PHE 27 -4.353 10.080 17.371 208 HA PHE 27 HA PHE 27 -3.083 9.518 19.204 209 HB2 PHE 27 HB2 PHE 27 -3.169 6.663 18.223 210 HB3 PHE 27 HB3 PHE 27 -2.940 7.237 19.875 211 HD1 PHE 27 HD2 PHE 27 -4.874 8.771 20.818 212 HD2 PHE 27 HD1 PHE 27 -5.310 6.040 17.531 213 HE1 PHE 27 HE2 PHE 27 -7.328 8.739 21.171 214 HE2 PHE 27 HE1 PHE 27 -7.765 6.007 17.885 215 HZ PHE 27 HZ PHE 27 -8.774 7.357 19.705 216 H ARG 28 H ARG 28 -0.944 8.196 19.735 217 HA ARG 28 HA ARG 28 0.915 8.800 17.527 218 HB2 ARG 28 HB2 ARG 28 1.002 9.133 20.430 219 HB3 ARG 28 HB3 ARG 28 2.443 8.345 19.788 220 HG2 ARG 28 HG2 ARG 28 2.717 10.794 19.785 221 HG3 ARG 28 HG3 ARG 28 2.701 10.166 18.136 222 HD2 ARG 28 HD2 ARG 28 0.803 11.279 17.620 223 HD3 ARG 28 HD3 ARG 28 0.023 10.803 19.126 224 HE ARG 28 HE ARG 28 1.917 12.736 19.788 225 HH11 ARG 28 HH21 ARG 28 -0.920 12.423 17.833 226 HH12 ARG 28 HH22 ARG 28 -1.391 14.081 18.004 227 HH21 ARG 28 HH11 ARG 28 1.309 14.913 20.015 228 HH22 ARG 28 HH12 ARG 28 -0.125 15.493 19.236 229 H ASN 29 H ASN 29 0.799 6.509 20.267 230 HA ASN 29 HA ASN 29 1.727 4.386 20.432 231 HB2 ASN 29 HB2 ASN 29 -0.319 4.450 18.301 232 HB3 ASN 29 HB3 ASN 29 0.726 3.030 18.305 233 HD21 ASN 29 HD21 ASN 29 -1.810 4.709 20.069 234 HD22 ASN 29 HD22 ASN 29 -2.030 3.515 21.255 235 H LEU 30 H LEU 30 3.387 6.319 18.950 236 HA LEU 30 HA LEU 30 5.457 6.190 17.929 237 HB2 LEU 30 HB2 LEU 30 5.066 3.597 18.783 238 HB3 LEU 30 HB3 LEU 30 5.297 3.402 17.045 239 HG LEU 30 HG LEU 30 7.346 4.872 17.245 240 HD11 LEU 30 HD11 LEU 30 7.419 6.038 19.197 241 HD12 LEU 30 HD12 LEU 30 8.101 4.555 19.866 242 HD13 LEU 30 HD13 LEU 30 6.376 4.886 20.030 243 HD21 LEU 30 HD21 LEU 30 7.756 2.541 17.059 244 HD22 LEU 30 HD22 LEU 30 7.127 2.218 18.673 245 HD23 LEU 30 HD23 LEU 30 8.679 3.033 18.479 246 H LYS 31 H LYS 31 6.219 4.763 15.654 247 HA LYS 31 HA LYS 31 4.277 5.796 13.681 248 HB2 LYS 31 HB2 LYS 31 7.256 5.327 13.407 249 HB3 LYS 31 HB3 LYS 31 6.196 5.948 12.140 250 HG2 LYS 31 HG2 LYS 31 5.905 7.992 13.189 251 HG3 LYS 31 HG3 LYS 31 6.177 7.323 14.797 252 HD2 LYS 31 HD2 LYS 31 8.600 6.935 14.064 253 HD3 LYS 31 HD3 LYS 31 8.235 7.969 12.682 254 HE2 LYS 31 HE2 LYS 31 7.592 9.796 14.182 255 HE3 LYS 31 HE3 LYS 31 7.869 8.764 15.585 256 HZ1 LYS 31 HZ1 LYS 31 9.813 10.009 15.352 257 HZ2 LYS 31 HZ2 LYS 31 9.852 9.821 13.664 258 HZ3 LYS 31 HZ3 LYS 31 10.205 8.504 14.678 259 H LEU 32 H LEU 32 3.417 3.489 14.494 260 HA LEU 32 HA LEU 32 4.533 1.124 13.494 261 HB2 LEU 32 HB2 LEU 32 1.937 2.000 14.530 262 HB3 LEU 32 HB3 LEU 32 1.809 0.707 13.338 263 HG LEU 32 HG LEU 32 3.626 -0.511 14.643 264 HD11 LEU 32 HD11 LEU 32 3.369 1.963 16.200 265 HD12 LEU 32 HD12 LEU 32 4.674 0.777 16.184 266 HD13 LEU 32 HD13 LEU 32 3.250 0.507 17.188 267 HD21 LEU 32 HD21 LEU 32 1.236 -0.019 16.401 268 HD22 LEU 32 HD22 LEU 32 2.032 -1.543 16.011 269 HD23 LEU 32 HD23 LEU 32 1.011 -0.751 14.812 270 H ILE 33 H ILE 33 4.822 0.402 11.486 271 HA ILE 33 HA ILE 33 3.804 1.878 9.226 272 HB ILE 33 HB ILE 33 6.080 0.606 9.495 273 HG12 ILE 33 HG12 ILE 33 5.762 -0.026 6.915 274 HG13 ILE 33 HG13 ILE 33 4.286 0.916 7.129 275 HG21 ILE 33 HG21 ILE 33 6.074 -1.670 8.754 276 HG22 ILE 33 HG22 ILE 33 4.371 -1.588 8.302 277 HG23 ILE 33 HG23 ILE 33 4.834 -1.562 10.003 278 HD11 ILE 33 HD11 ILE 33 5.543 2.833 7.903 279 HD12 ILE 33 HD12 ILE 33 6.263 2.287 6.389 280 HD13 ILE 33 HD13 ILE 33 7.039 1.899 7.924 281 H LEU 34 H LEU 34 2.043 1.435 8.042 282 HA LEU 34 HA LEU 34 0.749 -1.197 8.382 283 HB2 LEU 34 HB2 LEU 34 -0.365 1.512 8.861 284 HB3 LEU 34 HB3 LEU 34 -1.412 0.363 8.027 285 HG LEU 34 HG LEU 34 0.062 -0.630 10.422 286 HD11 LEU 34 HD11 LEU 34 -1.668 0.276 11.933 287 HD12 LEU 34 HD12 LEU 34 -2.373 1.172 10.589 288 HD13 LEU 34 HD13 LEU 34 -0.755 1.575 11.164 289 HD21 LEU 34 HD21 LEU 34 -1.676 -1.810 8.807 290 HD22 LEU 34 HD22 LEU 34 -2.857 -0.991 9.828 291 HD23 LEU 34 HD23 LEU 34 -1.715 -2.129 10.541 292 H GLN 35 H GLN 35 2.442 -0.643 6.285 293 HA GLN 35 HA GLN 35 1.042 0.367 3.991 294 HB2 GLN 35 HB2 GLN 35 2.996 -0.867 2.791 295 HB3 GLN 35 HB3 GLN 35 3.365 0.537 3.793 296 HG2 GLN 35 HG2 GLN 35 4.153 -0.799 5.579 297 HG3 GLN 35 HG3 GLN 35 3.395 -2.255 4.935 298 HE21 GLN 35 HE21 GLN 35 5.108 -0.071 2.762 299 HE22 GLN 35 HE22 GLN 35 6.439 -1.090 2.497 300 H GLY 36 H GLY 36 -0.380 -0.647 2.750 301 HA2 GLY 36 HA2 GLY 36 -0.249 -3.511 2.304 302 HA3 GLY 36 HA3 GLY 36 -1.669 -2.970 3.193 303 H CYS 37 H CYS 37 -2.015 -4.201 0.776 304 HA CYS 37 HA CYS 37 -2.617 -1.989 -1.088 305 HB2 CYS 37 HB2 CYS 37 -2.790 -4.761 -2.078 306 HB3 CYS 37 HB3 CYS 37 -2.064 -3.338 -2.828 307 H SER 38 H SER 38 -4.554 -2.501 -2.527 308 HA SER 38 HA SER 38 -6.632 -4.183 -1.535 309 HB2 SER 38 HB2 SER 38 -6.418 -2.066 0.080 310 HB3 SER 38 HB3 SER 38 -7.403 -1.328 -1.180 311 HG SER 38 HG SER 38 -8.851 -3.098 -0.934 312 H SER 39 H SER 39 -8.784 -3.590 -2.606 313 HA SER 39 HA SER 39 -8.238 -3.077 -5.411 314 HB2 SER 39 HB2 SER 39 -9.725 -4.894 -4.975 315 HB3 SER 39 HB3 SER 39 -10.715 -3.914 -3.898 316 HG SER 39 HG SER 39 -11.784 -3.320 -5.594 317 H SER 40 H SER 40 -10.132 -1.613 -2.790 318 HA SER 40 HA SER 40 -10.405 0.812 -4.465 319 HB2 SER 40 HB2 SER 40 -12.559 -0.423 -3.963 320 HB3 SER 40 HB3 SER 40 -12.301 -0.028 -2.266 321 HG SER 40 HG SER 40 -11.945 2.214 -3.432 322 H CYS 41 H CYS 41 -8.413 1.617 -3.620 323 HA CYS 41 HA CYS 41 -8.194 2.066 -0.753 324 HB2 CYS 41 HB2 CYS 41 -6.186 1.480 -2.043 325 HB3 CYS 41 HB3 CYS 41 -6.396 2.924 -3.033 326 H SER 42 H SER 42 -8.535 3.964 0.288 327 HA SER 42 HA SER 42 -9.618 6.183 -1.329 328 HB2 SER 42 HB2 SER 42 -10.298 5.032 1.299 329 HB3 SER 42 HB3 SER 42 -10.279 6.792 1.244 330 HG SER 42 HG SER 42 -11.480 5.461 -0.882 331 H GLU 43 H GLU 43 -7.735 7.284 -1.844 332 HA GLU 43 HA GLU 43 -5.504 7.801 -0.356 333 HB2 GLU 43 HB2 GLU 43 -6.776 10.064 -1.867 334 HB3 GLU 43 HB3 GLU 43 -5.075 9.610 -1.768 335 HG2 GLU 43 HG2 GLU 43 -5.559 8.781 -3.865 336 HG3 GLU 43 HG3 GLU 43 -5.983 7.374 -2.896 337 H THR 44 H THR 44 -4.923 9.087 1.336 338 HA THR 44 HA THR 44 -6.518 11.253 2.299 339 HB THR 44 HB THR 44 -6.537 9.601 4.586 340 HG1 THR 44 HG1 THR 44 -8.044 7.992 3.553 341 HG21 THR 44 HG21 THR 44 -8.193 11.270 4.278 342 HG22 THR 44 HG22 THR 44 -9.065 9.743 4.141 343 HG23 THR 44 HG23 THR 44 -8.637 10.649 2.689 344 H GLU 45 H GLU 45 -5.435 12.490 3.813 345 HA GLU 45 HA GLU 45 -2.707 12.575 3.855 346 HB2 GLU 45 HB2 GLU 45 -2.866 13.948 5.855 347 HB3 GLU 45 HB3 GLU 45 -4.206 14.334 4.777 348 HG2 GLU 45 HG2 GLU 45 -5.584 12.641 6.100 349 HG3 GLU 45 HG3 GLU 45 -4.271 12.634 7.278 350 H ASN 46 H ASN 46 -4.727 10.332 5.499 351 HA ASN 46 HA ASN 46 -2.573 9.473 7.297 352 HB2 ASN 46 HB2 ASN 46 -4.757 9.631 8.319 353 HB3 ASN 46 HB3 ASN 46 -5.470 8.639 7.049 354 HD21 ASN 46 HD21 ASN 46 -6.048 7.400 9.229 355 HD22 ASN 46 HD22 ASN 46 -4.941 6.197 9.689 356 H ASN 47 H ASN 47 -4.464 8.415 4.530 357 HA ASN 47 HA ASN 47 -2.531 6.227 4.118 358 HB2 ASN 47 HB2 ASN 47 -4.339 4.969 4.865 359 HB3 ASN 47 HB3 ASN 47 -5.525 6.077 4.179 360 HD21 ASN 47 HD21 ASN 47 -5.545 6.138 1.676 361 HD22 ASN 47 HD22 ASN 47 -5.248 4.676 0.867 362 H LYS 48 H LYS 48 -1.552 6.477 2.231 363 HA LYS 48 HA LYS 48 -2.963 7.962 0.098 364 HB2 LYS 48 HB2 LYS 48 0.012 7.545 0.172 365 HB3 LYS 48 HB3 LYS 48 -0.913 8.832 -0.604 366 HG2 LYS 48 HG2 LYS 48 -1.667 9.444 1.807 367 HG3 LYS 48 HG3 LYS 48 -0.293 8.466 2.322 368 HD2 LYS 48 HD2 LYS 48 0.862 9.998 0.379 369 HD3 LYS 48 HD3 LYS 48 -0.336 11.119 1.026 370 HE2 LYS 48 HE2 LYS 48 0.560 10.311 3.354 371 HE3 LYS 48 HE3 LYS 48 1.975 9.809 2.429 372 HZ1 LYS 48 HZ1 LYS 48 2.640 11.902 2.238 373 HZ2 LYS 48 HZ2 LYS 48 1.439 12.331 3.361 374 HZ3 LYS 48 HZ3 LYS 48 1.120 12.422 1.694 375 H CYS 49 H CYS 49 -3.287 7.016 -1.842 376 HA CYS 49 HA CYS 49 -2.378 4.226 -2.153 377 HB2 CYS 49 HB2 CYS 49 -4.425 5.466 -3.939 378 HB3 CYS 49 HB3 CYS 49 -4.301 3.808 -3.350 379 H CYS 50 H CYS 50 -1.238 3.553 -3.901 380 HA CYS 50 HA CYS 50 -0.622 5.478 -6.040 381 HB2 CYS 50 HB2 CYS 50 1.813 4.514 -5.809 382 HB3 CYS 50 HB3 CYS 50 1.298 5.850 -4.784 383 H SER 51 H SER 51 -0.665 4.540 -8.001 384 HA SER 51 HA SER 51 -0.722 1.589 -8.110 385 HB2 SER 51 HB2 SER 51 -2.646 3.218 -8.989 386 HB3 SER 51 HB3 SER 51 -1.620 3.239 -10.420 387 HG SER 51 HG SER 51 -2.814 1.474 -10.737 388 H THR 52 H THR 52 1.767 2.905 -7.951 389 HA THR 52 HA THR 52 2.802 2.614 -10.706 390 HB THR 52 HB THR 52 4.516 3.876 -8.652 391 HG1 THR 52 HG1 THR 52 3.359 5.832 -8.847 392 HG21 THR 52 HG21 THR 52 3.742 4.886 -11.386 393 HG22 THR 52 HG22 THR 52 4.919 3.588 -11.186 394 HG23 THR 52 HG23 THR 52 5.232 5.179 -10.490 395 H ASP 53 H ASP 53 2.270 0.558 -8.551 396 HA ASP 53 HA ASP 53 3.265 -1.337 -7.716 397 HB2 ASP 53 HB2 ASP 53 4.450 -0.792 -10.283 398 HB3 ASP 53 HB3 ASP 53 5.649 -1.521 -9.217 399 H ARG 54 H ARG 54 4.938 -2.089 -6.339 400 HA ARG 54 HA ARG 54 6.190 -1.563 -4.432 401 HB2 ARG 54 HB2 ARG 54 8.529 -1.283 -5.078 402 HB3 ARG 54 HB3 ARG 54 7.741 -2.451 -6.139 403 HG2 ARG 54 HG2 ARG 54 7.411 -0.701 -7.839 404 HG3 ARG 54 HG3 ARG 54 8.179 0.482 -6.779 405 HD2 ARG 54 HD2 ARG 54 9.629 -0.669 -8.612 406 HD3 ARG 54 HD3 ARG 54 10.291 -0.511 -6.988 407 HE ARG 54 HE ARG 54 8.891 -3.002 -7.693 408 HH11 ARG 54 HH21 ARG 54 11.798 -1.256 -6.982 409 HH12 ARG 54 HH22 ARG 54 12.741 -2.679 -6.694 410 HH21 ARG 54 HH11 ARG 54 10.125 -4.866 -7.321 411 HH22 ARG 54 HH12 ARG 54 11.796 -4.721 -6.887 412 H CYS 55 H CYS 55 4.516 0.710 -5.330 413 HA CYS 55 HA CYS 55 6.048 3.113 -5.176 414 HB2 CYS 55 HB2 CYS 55 3.871 4.204 -4.927 415 HB3 CYS 55 HB3 CYS 55 3.796 2.984 -6.200 416 H ASN 56 H ASN 56 4.219 1.176 -2.853 417 HA ASN 56 HA ASN 56 4.530 2.954 -0.651 418 HB2 ASN 56 HB2 ASN 56 2.789 1.147 -0.859 419 HB3 ASN 56 HB3 ASN 56 4.064 -0.031 -0.553 420 HD21 ASN 56 HD21 ASN 56 5.484 1.788 1.365 421 HD22 ASN 56 HD22 ASN 56 4.541 1.779 2.775 422 H LYS 57 H LYS 57 7.004 2.969 -1.635 423 HA LYS 57 HA LYS 57 8.626 1.016 -0.164 424 HB2 LYS 57 HB2 LYS 57 10.530 2.117 -1.364 425 HB3 LYS 57 HB3 LYS 57 9.320 1.420 -2.443 426 HG2 LYS 57 HG2 LYS 57 8.459 3.513 -3.044 427 HG3 LYS 57 HG3 LYS 57 9.091 4.296 -1.594 428 HD2 LYS 57 HD2 LYS 57 10.400 4.935 -3.588 429 HD3 LYS 57 HD3 LYS 57 11.390 4.029 -2.444 430 HE2 LYS 57 HE2 LYS 57 11.021 1.969 -3.743 431 HE3 LYS 57 HE3 LYS 57 10.018 2.863 -4.884 432 HZ1 LYS 57 HZ1 LYS 57 11.997 3.012 -5.946 433 HZ2 LYS 57 HZ2 LYS 57 12.914 2.905 -4.520 434 HZ3 LYS 57 HZ3 LYS 57 12.167 4.370 -4.944 Start of MODEL 20 1 H1 LEU 1 H1 LEU 1 3.917 -5.175 -10.564 2 H2 LEU 1 H2 LEU 1 3.683 -3.622 -9.916 3 H3 LEU 1 H3 LEU 1 2.993 -4.033 -11.412 4 HA LEU 1 HA LEU 1 1.381 -4.016 -9.553 5 HB2 LEU 1 HB2 LEU 1 1.139 -5.405 -11.654 6 HB3 LEU 1 HB3 LEU 1 1.825 -6.760 -10.757 7 HG LEU 1 HG LEU 1 -0.035 -6.132 -8.990 8 HD11 LEU 1 HD11 LEU 1 -0.576 -4.146 -10.709 9 HD12 LEU 1 HD12 LEU 1 -1.837 -4.910 -9.741 10 HD13 LEU 1 HD13 LEU 1 -1.598 -5.395 -11.421 11 HD21 LEU 1 HD21 LEU 1 -0.339 -8.257 -9.803 12 HD22 LEU 1 HD22 LEU 1 -0.109 -7.758 -11.478 13 HD23 LEU 1 HD23 LEU 1 -1.660 -7.489 -10.683 14 H LYS 2 H LYS 2 3.486 -3.967 -7.896 15 HA LYS 2 HA LYS 2 2.789 -5.976 -5.936 16 HB2 LYS 2 HB2 LYS 2 4.942 -6.963 -5.670 17 HB3 LYS 2 HB3 LYS 2 4.567 -7.059 -7.389 18 HG2 LYS 2 HG2 LYS 2 5.797 -4.560 -7.064 19 HG3 LYS 2 HG3 LYS 2 6.742 -5.663 -6.063 20 HD2 LYS 2 HD2 LYS 2 7.739 -5.827 -8.207 21 HD3 LYS 2 HD3 LYS 2 6.702 -7.249 -8.100 22 HE2 LYS 2 HE2 LYS 2 4.905 -5.959 -9.281 23 HE3 LYS 2 HE3 LYS 2 6.056 -4.641 -9.500 24 HZ1 LYS 2 HZ1 LYS 2 5.760 -6.970 -11.035 25 HZ2 LYS 2 HZ2 LYS 2 7.297 -7.001 -10.312 26 HZ3 LYS 2 HZ3 LYS 2 6.833 -5.679 -11.274 27 H CYS 3 H CYS 3 3.556 -5.456 -3.836 28 HA CYS 3 HA CYS 3 5.118 -3.048 -3.446 29 HB2 CYS 3 HB2 CYS 3 2.239 -3.087 -2.528 30 HB3 CYS 3 HB3 CYS 3 3.394 -1.768 -2.344 31 H TYR 4 H TYR 4 4.278 -2.478 -0.848 32 HA TYR 4 HA TYR 4 5.459 -4.726 0.574 33 HB2 TYR 4 HB2 TYR 4 4.838 -1.869 1.262 34 HB3 TYR 4 HB3 TYR 4 5.235 -3.036 2.524 35 HD1 TYR 4 HD2 TYR 4 7.361 -4.511 2.090 36 HD2 TYR 4 HD1 TYR 4 6.570 -0.769 0.136 37 HE1 TYR 4 HE2 TYR 4 9.766 -4.290 1.546 38 HE2 TYR 4 HE1 TYR 4 8.978 -0.546 -0.410 39 HH TYR 4 HH TYR 4 11.317 -1.932 1.010 40 H GLN 5 H GLN 5 3.828 -6.248 0.573 41 HA GLN 5 HA GLN 5 1.235 -5.564 1.742 42 HB2 GLN 5 HB2 GLN 5 1.652 -7.130 -0.298 43 HB3 GLN 5 HB3 GLN 5 2.060 -8.332 0.927 44 HG2 GLN 5 HG2 GLN 5 -0.240 -7.315 1.971 45 HG3 GLN 5 HG3 GLN 5 -0.564 -7.146 0.247 46 HE21 GLN 5 HE21 GLN 5 -2.153 -8.892 0.284 47 HE22 GLN 5 HE22 GLN 5 -1.675 -10.511 0.451 48 H HIS 6 H HIS 6 4.105 -7.501 2.447 49 HA HIS 6 HA HIS 6 3.142 -7.763 5.229 50 HB2 HIS 6 HB2 HIS 6 4.236 -9.873 3.398 51 HB3 HIS 6 HB3 HIS 6 4.511 -9.994 5.136 52 HD1 HIS 6 HD1 HIS 6 1.878 -10.326 2.537 53 HD2 HIS 6 HD2 HIS 6 2.083 -10.256 6.700 54 HE1 HIS 6 HE1 HIS 6 -0.356 -11.172 3.378 55 H GLY 7 H GLY 7 4.749 -5.682 4.439 56 HA2 GLY 7 HA2 GLY 7 6.638 -4.608 5.236 57 HA3 GLY 7 HA3 GLY 7 7.068 -6.088 6.089 58 H LYS 8 H LYS 8 6.443 -6.980 2.994 59 HA LYS 8 HA LYS 8 9.171 -6.437 2.022 60 HB2 LYS 8 HB2 LYS 8 8.074 -9.135 1.470 61 HB3 LYS 8 HB3 LYS 8 9.734 -8.636 1.790 62 HG2 LYS 8 HG2 LYS 8 8.944 -8.191 4.205 63 HG3 LYS 8 HG3 LYS 8 7.516 -9.135 3.776 64 HD2 LYS 8 HD2 LYS 8 10.398 -10.067 3.638 65 HD3 LYS 8 HD3 LYS 8 9.171 -10.616 4.781 66 HE2 LYS 8 HE2 LYS 8 8.970 -12.297 3.217 67 HE3 LYS 8 HE3 LYS 8 7.846 -11.134 2.513 68 HZ1 LYS 8 HZ1 LYS 8 10.422 -12.008 1.561 69 HZ2 LYS 8 HZ2 LYS 8 10.212 -10.324 1.520 70 HZ3 LYS 8 HZ3 LYS 8 9.119 -11.339 0.706 71 H VAL 9 H VAL 9 9.359 -6.242 -0.188 72 HA VAL 9 HA VAL 9 7.070 -5.453 -1.645 73 HB VAL 9 HB VAL 9 9.795 -6.264 -2.688 74 HG11 VAL 9 HG11 VAL 9 7.503 -4.677 -3.874 75 HG12 VAL 9 HG12 VAL 9 8.203 -6.172 -4.496 76 HG13 VAL 9 HG13 VAL 9 9.133 -4.674 -4.543 77 HG21 VAL 9 HG21 VAL 9 9.960 -4.490 -1.006 78 HG22 VAL 9 HG22 VAL 9 8.678 -3.582 -1.808 79 HG23 VAL 9 HG23 VAL 9 10.231 -3.811 -2.610 80 H VAL 10 H VAL 10 5.492 -6.969 -1.887 81 HA VAL 10 HA VAL 10 6.180 -9.304 -3.547 82 HB VAL 10 HB VAL 10 4.587 -10.675 -2.176 83 HG11 VAL 10 HG11 VAL 10 6.670 -11.333 -1.536 84 HG12 VAL 10 HG12 VAL 10 6.304 -10.441 -0.060 85 HG13 VAL 10 HG13 VAL 10 7.238 -9.675 -1.343 86 HG21 VAL 10 HG21 VAL 10 4.942 -8.637 0.003 87 HG22 VAL 10 HG22 VAL 10 3.706 -9.885 -0.163 88 HG23 VAL 10 HG23 VAL 10 3.636 -8.434 -1.164 89 H THR 11 H THR 11 4.351 -10.198 -4.703 90 HA THR 11 HA THR 11 2.619 -8.152 -5.724 91 HB THR 11 HB THR 11 2.622 -11.141 -6.208 92 HG1 THR 11 HG1 THR 11 4.510 -9.797 -6.790 93 HG21 THR 11 HG21 THR 11 0.476 -10.204 -6.810 94 HG22 THR 11 HG22 THR 11 1.390 -10.463 -8.295 95 HG23 THR 11 HG23 THR 11 1.247 -8.841 -7.619 96 H CYS 12 H CYS 12 0.658 -7.591 -5.026 97 HA CYS 12 HA CYS 12 -0.523 -8.880 -2.754 98 HB2 CYS 12 HB2 CYS 12 -1.775 -6.811 -4.569 99 HB3 CYS 12 HB3 CYS 12 -2.220 -7.182 -2.903 100 H HIS 13 H HIS 13 -3.148 -9.029 -3.077 101 HA HIS 13 HA HIS 13 -3.529 -11.440 -4.535 102 HB2 HIS 13 HB2 HIS 13 -4.831 -10.415 -2.477 103 HB3 HIS 13 HB3 HIS 13 -5.846 -9.723 -3.743 104 HD1 HIS 13 HD1 HIS 13 -4.402 -12.880 -4.824 105 HD2 HIS 13 HD2 HIS 13 -7.774 -11.745 -2.652 106 HE1 HIS 13 HE1 HIS 13 -5.960 -14.878 -4.822 107 H ARG 14 H ARG 14 -5.213 -11.729 -6.220 108 HA ARG 14 HA ARG 14 -4.679 -10.092 -8.470 109 HB2 ARG 14 HB2 ARG 14 -5.686 -12.588 -8.148 110 HB3 ARG 14 HB3 ARG 14 -7.168 -11.694 -8.489 111 HG2 ARG 14 HG2 ARG 14 -6.306 -10.882 -10.572 112 HG3 ARG 14 HG3 ARG 14 -4.678 -11.446 -10.192 113 HD2 ARG 14 HD2 ARG 14 -5.623 -13.047 -11.709 114 HD3 ARG 14 HD3 ARG 14 -5.618 -13.795 -10.114 115 HE ARG 14 HE ARG 14 -8.088 -12.428 -10.738 116 HH11 ARG 14 HH21 ARG 14 -6.236 -15.337 -11.020 117 HH12 ARG 14 HH22 ARG 14 -7.618 -16.363 -11.211 118 HH21 ARG 14 HH11 ARG 14 -9.908 -13.771 -10.990 119 HH22 ARG 14 HH12 ARG 14 -9.694 -15.478 -11.194 120 H ASP 15 H ASP 15 -7.206 -10.084 -6.042 121 HA ASP 15 HA ASP 15 -9.023 -8.383 -7.418 122 HB2 ASP 15 HB2 ASP 15 -8.654 -9.236 -4.570 123 HB3 ASP 15 HB3 ASP 15 -9.758 -7.915 -4.941 124 H MET 16 H MET 16 -6.300 -7.788 -5.247 125 HA MET 16 HA MET 16 -6.782 -4.988 -4.956 126 HB2 MET 16 HB2 MET 16 -4.272 -6.629 -4.542 127 HB3 MET 16 HB3 MET 16 -4.489 -4.957 -4.032 128 HG2 MET 16 HG2 MET 16 -5.690 -5.560 -2.216 129 HG3 MET 16 HG3 MET 16 -6.683 -6.673 -3.155 130 HE1 MET 16 HE1 MET 16 -5.618 -8.572 -0.162 131 HE2 MET 16 HE2 MET 16 -6.490 -9.255 -1.532 132 HE3 MET 16 HE3 MET 16 -6.811 -7.597 -1.029 133 H LYS 17 H LYS 17 -6.233 -3.344 -6.255 134 HA LYS 17 HA LYS 17 -4.350 -3.881 -8.472 135 HB2 LYS 17 HB2 LYS 17 -7.078 -2.657 -8.515 136 HB3 LYS 17 HB3 LYS 17 -5.861 -2.048 -9.639 137 HG2 LYS 17 HG2 LYS 17 -5.498 -4.285 -10.530 138 HG3 LYS 17 HG3 LYS 17 -6.597 -4.973 -9.333 139 HD2 LYS 17 HD2 LYS 17 -7.707 -2.772 -10.983 140 HD3 LYS 17 HD3 LYS 17 -7.380 -4.282 -11.836 141 HE2 LYS 17 HE2 LYS 17 -8.944 -4.124 -9.246 142 HE3 LYS 17 HE3 LYS 17 -9.696 -4.142 -10.841 143 HZ1 LYS 17 HZ1 LYS 17 -8.209 -6.232 -11.156 144 HZ2 LYS 17 HZ2 LYS 17 -9.682 -6.356 -10.318 145 HZ3 LYS 17 HZ3 LYS 17 -8.218 -6.271 -9.460 146 H PHE 18 H PHE 18 -5.071 -2.053 -5.757 147 HA PHE 18 HA PHE 18 -3.193 0.065 -6.612 148 HB2 PHE 18 HB2 PHE 18 -5.565 0.476 -4.785 149 HB3 PHE 18 HB3 PHE 18 -4.481 1.710 -5.420 150 HD1 PHE 18 HD2 PHE 18 -4.182 1.149 -8.218 151 HD2 PHE 18 HD1 PHE 18 -7.670 0.683 -5.752 152 HE1 PHE 18 HE2 PHE 18 -5.627 1.365 -10.219 153 HE2 PHE 18 HE1 PHE 18 -9.114 0.904 -7.755 154 HZ PHE 18 HZ PHE 18 -8.092 1.243 -9.989 155 H CYS 19 H CYS 19 -1.608 0.579 -5.203 156 HA CYS 19 HA CYS 19 -1.435 -1.014 -2.738 157 HB2 CYS 19 HB2 CYS 19 0.642 0.573 -4.274 158 HB3 CYS 19 HB3 CYS 19 0.953 -0.250 -2.746 159 H TYR 20 H TYR 20 -1.024 0.007 -0.719 160 HA TYR 20 HA TYR 20 -1.277 2.933 -0.723 161 HB2 TYR 20 HB2 TYR 20 -3.025 2.948 0.878 162 HB3 TYR 20 HB3 TYR 20 -3.517 1.799 -0.363 163 HD1 TYR 20 HD2 TYR 20 -2.282 2.179 3.089 164 HD2 TYR 20 HD1 TYR 20 -3.557 -0.598 0.070 165 HE1 TYR 20 HE2 TYR 20 -2.453 0.395 4.802 166 HE2 TYR 20 HE1 TYR 20 -3.730 -2.382 1.784 167 HH TYR 20 HH TYR 20 -2.665 -2.846 4.067 168 H HIS 21 H HIS 21 -0.417 3.987 1.039 169 HA HIS 21 HA HIS 21 1.190 2.344 2.901 170 HB2 HIS 21 HB2 HIS 21 2.501 3.562 1.049 171 HB3 HIS 21 HB3 HIS 21 2.057 5.050 1.885 172 HD1 HIS 21 HD1 HIS 21 4.863 3.072 1.691 173 HD2 HIS 21 HD2 HIS 21 2.607 4.309 4.971 174 HE1 HIS 21 HE1 HIS 21 6.375 2.882 3.714 175 H ASN 22 H ASN 22 0.540 2.665 4.933 176 HA ASN 22 HA ASN 22 -0.818 5.204 5.569 177 HB2 ASN 22 HB2 ASN 22 -2.144 3.133 5.870 178 HB3 ASN 22 HB3 ASN 22 -0.948 2.560 7.031 179 HD21 ASN 22 HD21 ASN 22 -0.932 3.521 9.149 180 HD22 ASN 22 HD22 ASN 22 -2.127 4.613 9.658 181 H THR 23 H THR 23 0.076 6.586 6.940 182 HA THR 23 HA THR 23 2.415 5.683 8.507 183 HB THR 23 HB THR 23 2.986 7.415 6.893 184 HG1 THR 23 HG1 THR 23 4.114 7.706 8.718 185 HG21 THR 23 HG21 THR 23 0.955 9.174 8.282 186 HG22 THR 23 HG22 THR 23 0.622 8.323 6.774 187 HG23 THR 23 HG23 THR 23 1.889 9.549 6.835 188 H GLY 24 H GLY 24 -0.803 6.730 8.704 189 HA2 GLY 24 HA2 GLY 24 -0.573 7.914 11.357 190 HA3 GLY 24 HA3 GLY 24 -2.056 7.695 10.432 191 H MET 25 H MET 25 -3.230 6.724 12.078 192 HA MET 25 HA MET 25 -3.768 5.128 13.691 193 HB2 MET 25 HB2 MET 25 -3.073 3.590 11.189 194 HB3 MET 25 HB3 MET 25 -3.799 2.827 12.604 195 HG2 MET 25 HG2 MET 25 -5.573 4.714 12.449 196 HG3 MET 25 HG3 MET 25 -4.965 4.950 10.810 197 HE1 MET 25 HE1 MET 25 -7.938 3.237 12.479 198 HE2 MET 25 HE2 MET 25 -6.471 2.936 13.407 199 HE3 MET 25 HE3 MET 25 -7.324 1.588 12.660 200 HA PRO 26 HA PRO 26 0.712 4.148 14.698 201 HB2 PRO 26 HB2 PRO 26 0.662 5.387 17.160 202 HB3 PRO 26 HB3 PRO 26 1.173 6.178 15.657 203 HG2 PRO 26 HG2 PRO 26 -1.414 6.354 17.106 204 HG3 PRO 26 HG3 PRO 26 -0.523 7.603 16.220 205 HD2 PRO 26 HD2 PRO 26 -2.714 6.325 15.191 206 HD3 PRO 26 HD3 PRO 26 -1.407 6.977 14.179 207 H PHE 27 H PHE 27 -0.967 2.146 14.749 208 HA PHE 27 HA PHE 27 -1.767 1.345 17.408 209 HB2 PHE 27 HB2 PHE 27 -3.048 0.656 15.405 210 HB3 PHE 27 HB3 PHE 27 -1.655 -0.272 14.851 211 HD1 PHE 27 HD2 PHE 27 -4.097 0.072 17.645 212 HD2 PHE 27 HD1 PHE 27 -1.199 -2.441 15.709 213 HE1 PHE 27 HE2 PHE 27 -4.793 -1.832 19.073 214 HE2 PHE 27 HE1 PHE 27 -1.896 -4.345 17.137 215 HZ PHE 27 HZ PHE 27 -3.694 -4.041 18.819 216 H ARG 28 H ARG 28 1.113 1.266 15.634 217 HA ARG 28 HA ARG 28 2.162 -1.037 17.143 218 HB2 ARG 28 HB2 ARG 28 2.716 0.138 14.523 219 HB3 ARG 28 HB3 ARG 28 4.178 -0.173 15.459 220 HG2 ARG 28 HG2 ARG 28 3.647 -2.484 15.713 221 HG3 ARG 28 HG3 ARG 28 1.993 -2.240 15.150 222 HD2 ARG 28 HD2 ARG 28 3.075 -3.141 13.264 223 HD3 ARG 28 HD3 ARG 28 3.092 -1.407 12.952 224 HE ARG 28 HE ARG 28 5.399 -1.503 13.053 225 HH11 ARG 28 HH21 ARG 28 4.000 -4.177 14.747 226 HH12 ARG 28 HH22 ARG 28 5.521 -4.927 15.100 227 HH21 ARG 28 HH11 ARG 28 7.397 -2.481 13.509 228 HH22 ARG 28 HH12 ARG 28 7.444 -3.968 14.397 229 H ASN 29 H ASN 29 4.715 -0.598 17.492 230 HA ASN 29 HA ASN 29 4.919 1.985 18.921 231 HB2 ASN 29 HB2 ASN 29 4.781 -0.431 20.159 232 HB3 ASN 29 HB3 ASN 29 6.523 -0.273 19.943 233 HD21 ASN 29 HD21 ASN 29 3.803 1.925 20.886 234 HD22 ASN 29 HD22 ASN 29 4.642 2.626 22.185 235 H LEU 30 H LEU 30 6.240 -0.143 16.617 236 HA LEU 30 HA LEU 30 8.520 1.643 16.241 237 HB2 LEU 30 HB2 LEU 30 9.279 -0.200 17.786 238 HB3 LEU 30 HB3 LEU 30 8.948 -1.340 16.481 239 HG LEU 30 HG LEU 30 10.481 -0.003 15.008 240 HD11 LEU 30 HD11 LEU 30 12.118 1.396 16.613 241 HD12 LEU 30 HD12 LEU 30 10.620 1.592 17.524 242 HD13 LEU 30 HD13 LEU 30 10.710 2.129 15.846 243 HD21 LEU 30 HD21 LEU 30 11.655 -1.082 17.593 244 HD22 LEU 30 HD22 LEU 30 12.567 -0.798 16.110 245 HD23 LEU 30 HD23 LEU 30 11.297 -2.021 16.143 246 H LYS 31 H LYS 31 9.485 1.458 14.152 247 HA LYS 31 HA LYS 31 9.088 1.491 11.856 248 HB2 LYS 31 HB2 LYS 31 10.313 -0.678 12.481 249 HB3 LYS 31 HB3 LYS 31 8.756 -1.478 12.256 250 HG2 LYS 31 HG2 LYS 31 9.250 -1.582 10.057 251 HG3 LYS 31 HG3 LYS 31 9.011 0.165 10.012 252 HD2 LYS 31 HD2 LYS 31 11.218 -0.439 9.093 253 HD3 LYS 31 HD3 LYS 31 11.394 0.505 10.571 254 HE2 LYS 31 HE2 LYS 31 12.315 -1.229 11.716 255 HE3 LYS 31 HE3 LYS 31 11.214 -2.407 11.002 256 HZ1 LYS 31 HZ1 LYS 31 13.850 -2.046 10.361 257 HZ2 LYS 31 HZ2 LYS 31 13.009 -1.325 9.071 258 HZ3 LYS 31 HZ3 LYS 31 12.715 -2.948 9.479 259 H LEU 32 H LEU 32 6.774 2.290 12.925 260 HA LEU 32 HA LEU 32 4.448 0.912 12.759 261 HB2 LEU 32 HB2 LEU 32 3.485 3.097 11.727 262 HB3 LEU 32 HB3 LEU 32 4.221 3.167 13.328 263 HG LEU 32 HG LEU 32 6.111 3.535 11.089 264 HD11 LEU 32 HD11 LEU 32 3.709 5.272 11.467 265 HD12 LEU 32 HD12 LEU 32 4.601 4.897 9.992 266 HD13 LEU 32 HD13 LEU 32 5.252 6.064 11.143 267 HD21 LEU 32 HD21 LEU 32 5.682 5.469 13.331 268 HD22 LEU 32 HD22 LEU 32 7.191 4.881 12.633 269 HD23 LEU 32 HD23 LEU 32 6.272 3.856 13.736 270 H ILE 33 H ILE 33 4.728 -0.792 11.226 271 HA ILE 33 HA ILE 33 4.711 -0.030 8.391 272 HB ILE 33 HB ILE 33 6.262 -1.807 9.096 273 HG12 ILE 33 HG12 ILE 33 5.158 -3.668 7.569 274 HG13 ILE 33 HG13 ILE 33 3.987 -2.395 7.230 275 HG21 ILE 33 HG21 ILE 33 5.648 -3.443 10.516 276 HG22 ILE 33 HG22 ILE 33 4.270 -3.881 9.506 277 HG23 ILE 33 HG23 ILE 33 4.111 -2.602 10.710 278 HD11 ILE 33 HD11 ILE 33 6.049 -0.892 6.787 279 HD12 ILE 33 HD12 ILE 33 5.638 -2.096 5.566 280 HD13 ILE 33 HD13 ILE 33 6.955 -2.403 6.698 281 H LEU 34 H LEU 34 2.669 0.657 7.920 282 HA LEU 34 HA LEU 34 0.493 -1.292 8.374 283 HB2 LEU 34 HB2 LEU 34 0.412 1.726 8.537 284 HB3 LEU 34 HB3 LEU 34 -1.036 0.724 8.439 285 HG LEU 34 HG LEU 34 0.278 -0.547 10.442 286 HD11 LEU 34 HD11 LEU 34 2.141 0.970 10.559 287 HD12 LEU 34 HD12 LEU 34 1.115 1.316 11.950 288 HD13 LEU 34 HD13 LEU 34 1.073 2.375 10.540 289 HD21 LEU 34 HD21 LEU 34 -2.065 0.316 10.436 290 HD22 LEU 34 HD22 LEU 34 -1.444 1.929 10.790 291 HD23 LEU 34 HD23 LEU 34 -1.239 0.628 11.962 292 H GLN 35 H GLN 35 2.397 -0.677 6.087 293 HA GLN 35 HA GLN 35 0.644 0.354 4.010 294 HB2 GLN 35 HB2 GLN 35 2.717 -0.454 2.593 295 HB3 GLN 35 HB3 GLN 35 2.817 1.004 3.579 296 HG2 GLN 35 HG2 GLN 35 3.495 -1.586 4.890 297 HG3 GLN 35 HG3 GLN 35 4.660 -0.924 3.744 298 HE21 GLN 35 HE21 GLN 35 5.940 0.836 4.441 299 HE22 GLN 35 HE22 GLN 35 5.745 1.607 5.941 300 H GLY 36 H GLY 36 -0.398 -0.801 2.480 301 HA2 GLY 36 HA2 GLY 36 0.145 -3.607 2.024 302 HA3 GLY 36 HA3 GLY 36 -1.389 -3.295 2.834 303 H CYS 37 H CYS 37 -2.348 -4.257 0.890 304 HA CYS 37 HA CYS 37 -2.522 -2.302 -1.326 305 HB2 CYS 37 HB2 CYS 37 -3.301 -5.075 -1.919 306 HB3 CYS 37 HB3 CYS 37 -2.326 -3.951 -2.863 307 H SER 38 H SER 38 -4.615 -2.408 -2.517 308 HA SER 38 HA SER 38 -6.907 -3.582 -1.254 309 HB2 SER 38 HB2 SER 38 -6.559 -1.743 0.322 310 HB3 SER 38 HB3 SER 38 -6.527 -0.588 -1.008 311 HG SER 38 HG SER 38 -8.597 -0.860 0.102 312 H SER 39 H SER 39 -8.802 -3.350 -2.503 313 HA SER 39 HA SER 39 -8.304 -2.779 -5.292 314 HB2 SER 39 HB2 SER 39 -11.057 -3.194 -4.921 315 HB3 SER 39 HB3 SER 39 -9.867 -4.374 -5.465 316 HG SER 39 HG SER 39 -10.883 -3.890 -2.884 317 H SER 40 H SER 40 -10.002 -1.271 -2.607 318 HA SER 40 HA SER 40 -10.487 1.082 -4.329 319 HB2 SER 40 HB2 SER 40 -12.639 1.387 -3.487 320 HB3 SER 40 HB3 SER 40 -12.550 -0.364 -3.645 321 HG SER 40 HG SER 40 -11.538 0.448 -1.279 322 H CYS 41 H CYS 41 -8.226 1.311 -3.216 323 HA CYS 41 HA CYS 41 -8.029 1.984 -0.484 324 HB2 CYS 41 HB2 CYS 41 -6.103 1.486 -1.980 325 HB3 CYS 41 HB3 CYS 41 -6.370 3.030 -2.786 326 H SER 42 H SER 42 -7.913 4.032 0.541 327 HA SER 42 HA SER 42 -9.446 6.139 -0.857 328 HB2 SER 42 HB2 SER 42 -10.094 4.970 1.483 329 HB3 SER 42 HB3 SER 42 -9.072 6.273 2.083 330 HG SER 42 HG SER 42 -10.888 7.349 1.864 331 H GLU 43 H GLU 43 -7.671 7.115 -1.882 332 HA GLU 43 HA GLU 43 -5.219 7.791 -0.782 333 HB2 GLU 43 HB2 GLU 43 -6.051 8.092 -3.192 334 HB3 GLU 43 HB3 GLU 43 -6.712 9.633 -2.643 335 HG2 GLU 43 HG2 GLU 43 -4.354 10.095 -1.697 336 HG3 GLU 43 HG3 GLU 43 -3.825 8.754 -2.713 337 H THR 44 H THR 44 -4.940 8.729 1.138 338 HA THR 44 HA THR 44 -6.326 11.285 1.641 339 HB THR 44 HB THR 44 -6.375 10.584 4.090 340 HG1 THR 44 HG1 THR 44 -5.144 8.493 3.032 341 HG21 THR 44 HG21 THR 44 -8.280 10.488 2.270 342 HG22 THR 44 HG22 THR 44 -8.529 9.745 3.850 343 HG23 THR 44 HG23 THR 44 -8.094 8.745 2.463 344 H GLU 45 H GLU 45 -5.191 12.033 3.965 345 HA GLU 45 HA GLU 45 -2.473 12.617 3.162 346 HB2 GLU 45 HB2 GLU 45 -4.175 13.441 5.517 347 HB3 GLU 45 HB3 GLU 45 -2.480 13.903 5.367 348 HG2 GLU 45 HG2 GLU 45 -3.101 15.609 4.043 349 HG3 GLU 45 HG3 GLU 45 -3.677 14.439 2.857 350 H ASN 46 H ASN 46 -4.112 10.634 5.560 351 HA ASN 46 HA ASN 46 -1.630 9.891 6.876 352 HB2 ASN 46 HB2 ASN 46 -3.433 9.968 8.374 353 HB3 ASN 46 HB3 ASN 46 -4.526 9.166 7.247 354 HD21 ASN 46 HD21 ASN 46 -4.847 7.700 9.255 355 HD22 ASN 46 HD22 ASN 46 -3.769 6.401 9.439 356 H ASN 47 H ASN 47 -4.025 8.451 4.709 357 HA ASN 47 HA ASN 47 -2.112 6.261 4.190 358 HB2 ASN 47 HB2 ASN 47 -3.878 5.109 5.147 359 HB3 ASN 47 HB3 ASN 47 -5.086 6.231 4.523 360 HD21 ASN 47 HD21 ASN 47 -6.190 4.176 3.721 361 HD22 ASN 47 HD22 ASN 47 -5.670 3.511 2.248 362 H LYS 48 H LYS 48 -1.212 6.507 2.276 363 HA LYS 48 HA LYS 48 -2.645 7.940 0.152 364 HB2 LYS 48 HB2 LYS 48 0.215 6.953 0.191 365 HB3 LYS 48 HB3 LYS 48 -0.500 8.081 -0.962 366 HG2 LYS 48 HG2 LYS 48 0.337 9.666 0.445 367 HG3 LYS 48 HG3 LYS 48 -1.109 9.313 1.392 368 HD2 LYS 48 HD2 LYS 48 0.306 7.457 2.504 369 HD3 LYS 48 HD3 LYS 48 1.698 8.284 1.804 370 HE2 LYS 48 HE2 LYS 48 0.369 10.393 2.897 371 HE3 LYS 48 HE3 LYS 48 -0.070 9.115 4.031 372 HZ1 LYS 48 HZ1 LYS 48 2.322 10.504 3.901 373 HZ2 LYS 48 HZ2 LYS 48 2.670 8.925 3.378 374 HZ3 LYS 48 HZ3 LYS 48 1.951 9.182 4.896 375 H CYS 49 H CYS 49 -2.482 7.075 -2.080 376 HA CYS 49 HA CYS 49 -2.330 4.139 -2.228 377 HB2 CYS 49 HB2 CYS 49 -4.578 5.579 -3.601 378 HB3 CYS 49 HB3 CYS 49 -4.431 3.870 -3.198 379 H CYS 50 H CYS 50 -1.087 3.555 -3.882 380 HA CYS 50 HA CYS 50 -0.881 5.388 -6.196 381 HB2 CYS 50 HB2 CYS 50 1.471 4.289 -6.393 382 HB3 CYS 50 HB3 CYS 50 1.222 5.571 -5.208 383 H SER 51 H SER 51 0.525 3.855 -7.930 384 HA SER 51 HA SER 51 -0.801 1.251 -8.123 385 HB2 SER 51 HB2 SER 51 -0.888 2.727 -10.657 386 HB3 SER 51 HB3 SER 51 -2.117 1.724 -9.893 387 HG SER 51 HG SER 51 -2.015 3.736 -8.343 388 H THR 52 H THR 52 1.980 2.276 -7.758 389 HA THR 52 HA THR 52 3.161 0.908 -10.095 390 HB THR 52 HB THR 52 4.262 3.350 -8.685 391 HG1 THR 52 HG1 THR 52 2.492 3.307 -10.441 392 HG21 THR 52 HG21 THR 52 5.406 1.400 -10.652 393 HG22 THR 52 HG22 THR 52 6.183 2.181 -9.275 394 HG23 THR 52 HG23 THR 52 5.878 3.096 -10.752 395 H ASP 53 H ASP 53 5.291 -0.039 -9.665 396 HA ASP 53 HA ASP 53 5.275 -1.708 -7.412 397 HB2 ASP 53 HB2 ASP 53 6.483 -2.501 -9.252 398 HB3 ASP 53 HB3 ASP 53 7.365 -0.989 -9.446 399 H ARG 54 H ARG 54 6.161 -1.613 -5.427 400 HA ARG 54 HA ARG 54 6.893 -0.569 -3.500 401 HB2 ARG 54 HB2 ARG 54 8.996 -1.166 -5.112 402 HB3 ARG 54 HB3 ARG 54 9.241 0.566 -4.883 403 HG2 ARG 54 HG2 ARG 54 9.145 0.291 -2.453 404 HG3 ARG 54 HG3 ARG 54 8.813 -1.431 -2.642 405 HD2 ARG 54 HD2 ARG 54 11.313 -0.042 -3.646 406 HD3 ARG 54 HD3 ARG 54 11.213 -0.959 -2.145 407 HE ARG 54 HE ARG 54 10.335 -2.735 -4.013 408 HH11 ARG 54 HH21 ARG 54 13.091 -0.662 -3.730 409 HH12 ARG 54 HH22 ARG 54 14.146 -1.714 -4.614 410 HH21 ARG 54 HH11 ARG 54 11.712 -4.121 -5.173 411 HH22 ARG 54 HH12 ARG 54 13.365 -3.672 -5.431 412 H CYS 55 H CYS 55 5.030 0.980 -4.778 413 HA CYS 55 HA CYS 55 6.058 3.705 -4.951 414 HB2 CYS 55 HB2 CYS 55 3.743 4.258 -5.592 415 HB3 CYS 55 HB3 CYS 55 4.388 2.940 -6.569 416 H ASN 56 H ASN 56 4.420 1.625 -2.708 417 HA ASN 56 HA ASN 56 2.923 3.041 -1.047 418 HB2 ASN 56 HB2 ASN 56 3.577 1.678 0.705 419 HB3 ASN 56 HB3 ASN 56 4.147 0.749 -0.680 420 HD21 ASN 56 HD21 ASN 56 5.161 1.479 2.305 421 HD22 ASN 56 HD22 ASN 56 6.828 1.669 2.043 422 H LYS 57 H LYS 57 6.398 3.570 -1.422 423 HA LYS 57 HA LYS 57 6.513 5.593 0.631 424 HB2 LYS 57 HB2 LYS 57 8.787 6.041 -0.571 425 HB3 LYS 57 HB3 LYS 57 8.571 4.539 0.327 426 HG2 LYS 57 HG2 LYS 57 8.161 3.291 -1.666 427 HG3 LYS 57 HG3 LYS 57 7.972 4.756 -2.628 428 HD2 LYS 57 HD2 LYS 57 10.544 4.687 -1.255 429 HD3 LYS 57 HD3 LYS 57 10.327 3.294 -2.314 430 HE2 LYS 57 HE2 LYS 57 11.342 5.210 -3.518 431 HE3 LYS 57 HE3 LYS 57 9.769 4.777 -4.187 432 HZ1 LYS 57 HZ1 LYS 57 9.092 6.544 -2.291 433 HZ2 LYS 57 HZ2 LYS 57 9.340 6.943 -3.924 434 HZ3 LYS 57 HZ3 LYS 57 10.585 7.172 -2.791
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