NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631101 | 6gv7 | 34289 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASN 1 HA ASN 1 5.710 -0.309 3.179 2 HB2 ASN 1 HB2 ASN 1 8.108 -0.678 3.517 3 HB3 ASN 1 HB3 ASN 1 7.763 -1.864 4.771 4 HD21 ASN 1 HD21 ASN 1 8.845 -3.484 3.669 5 HD22 ASN 1 HD22 ASN 1 8.195 -4.220 2.246 6 H GLU 2 H GLU 2 4.401 -2.005 2.607 7 HA GLU 2 HA GLU 2 2.926 -3.220 4.786 8 HB2 GLU 2 HB2 GLU 2 2.439 -2.986 1.835 9 HB3 GLU 2 HB3 GLU 2 1.515 -4.112 2.815 10 HG2 GLU 2 HG2 GLU 2 1.670 -1.139 3.205 11 HG3 GLU 2 HG3 GLU 2 0.315 -2.042 2.526 12 H LEU 3 H LEU 3 3.522 -4.790 1.689 13 HA LEU 3 HA LEU 3 4.286 -7.174 3.174 14 HB2 LEU 3 HB2 LEU 3 3.320 -6.764 0.358 15 HB3 LEU 3 HB3 LEU 3 3.968 -8.290 0.913 16 HG LEU 3 HG LEU 3 1.612 -8.460 0.951 17 HD11 LEU 3 HD11 LEU 3 2.754 -9.472 2.855 18 HD12 LEU 3 HD12 LEU 3 1.124 -8.945 3.271 19 HD13 LEU 3 HD13 LEU 3 2.515 -7.991 3.784 20 HD21 LEU 3 HD21 LEU 3 1.502 -5.991 2.655 21 HD22 LEU 3 HD22 LEU 3 0.130 -6.956 2.111 22 HD23 LEU 3 HD23 LEU 3 1.098 -6.058 0.941 23 H ARG 4 H ARG 4 6.244 -7.931 3.215 24 HA ARG 4 HA ARG 4 8.243 -6.908 1.319 25 HB2 ARG 4 HB2 ARG 4 8.285 -7.229 4.112 26 HB3 ARG 4 HB3 ARG 4 9.293 -8.518 3.475 27 HG2 ARG 4 HG2 ARG 4 10.564 -6.823 2.200 28 HG3 ARG 4 HG3 ARG 4 9.615 -5.570 3.001 29 HD2 ARG 4 HD2 ARG 4 10.388 -6.506 5.181 30 HD3 ARG 4 HD3 ARG 4 11.464 -7.569 4.275 31 HE ARG 4 HE ARG 4 11.820 -4.853 3.525 32 HH11 ARG 4 HH11 ARG 4 12.639 -7.195 6.004 33 HH12 ARG 4 HH12 ARG 4 14.036 -6.341 6.543 34 HH21 ARG 4 HH21 ARG 4 13.686 -3.707 4.238 35 HH22 ARG 4 HH22 ARG 4 14.629 -4.337 5.539 36 H CYS 5 H CYS 5 9.637 -8.456 0.297 37 HA CYS 5 HA CYS 5 8.313 -10.854 -0.441 38 HB2 CYS 5 HB2 CYS 5 9.902 -9.498 -1.893 39 HB3 CYS 5 HB3 CYS 5 11.215 -10.180 -0.939 40 H GLY 6 H GLY 6 8.543 -12.876 0.312 41 HA2 GLY 6 HA2 GLY 6 9.713 -13.337 2.852 42 HA3 GLY 6 HA3 GLY 6 9.073 -14.572 1.780 43 H CYS 7 H CYS 7 11.114 -13.336 -0.246 44 HA CYS 7 HA CYS 7 13.211 -15.199 0.344 45 HB2 CYS 7 HB2 CYS 7 12.473 -14.873 -1.964 46 HB3 CYS 7 HB3 CYS 7 12.882 -13.168 -1.878 47 HA PRO 8 HA PRO 8 15.322 -12.173 2.862 48 HB2 PRO 8 HB2 PRO 8 17.580 -13.633 3.320 49 HB3 PRO 8 HB3 PRO 8 16.053 -13.909 4.166 50 HG2 PRO 8 HG2 PRO 8 17.217 -15.376 1.833 51 HG3 PRO 8 HG3 PRO 8 16.390 -16.021 3.263 52 HD2 PRO 8 HD2 PRO 8 15.157 -15.748 0.870 53 HD3 PRO 8 HD3 PRO 8 14.290 -15.566 2.407 54 H ASP 9 H ASP 9 16.623 -13.586 -0.034 55 HA ASP 9 HA ASP 9 18.848 -11.697 -0.129 56 HB2 ASP 9 HB2 ASP 9 18.030 -13.915 -2.014 57 HB3 ASP 9 HB3 ASP 9 19.430 -12.877 -2.250 58 H CYS 10 H CYS 10 15.645 -11.802 -1.088 59 HA CYS 10 HA CYS 10 16.134 -10.114 -3.420 60 HB2 CYS 10 HB2 CYS 10 14.808 -12.143 -3.766 61 HB3 CYS 10 HB3 CYS 10 13.647 -11.568 -2.574 62 H HIS 11 H HIS 11 15.561 -8.044 -3.460 63 HA HIS 11 HA HIS 11 13.961 -7.001 -1.223 64 HB2 HIS 11 HB2 HIS 11 16.094 -5.649 -2.876 65 HB3 HIS 11 HB3 HIS 11 15.027 -4.787 -1.777 66 HD2 HIS 11 HD2 HIS 11 15.324 -5.846 0.999 67 HE1 HIS 11 HE1 HIS 11 19.417 -6.682 0.281 68 HE2 HIS 11 HE2 HIS 11 17.643 -6.314 2.031 69 H CYS 12 H CYS 12 11.936 -7.034 -2.021 70 HA CYS 12 HA CYS 12 11.350 -5.197 -4.197 71 HB2 CYS 12 HB2 CYS 12 10.492 -8.101 -4.206 72 HB3 CYS 12 HB3 CYS 12 9.760 -6.869 -5.225 73 H LYS 13 H LYS 13 9.679 -3.945 -3.664 74 HA LYS 13 HA LYS 13 8.136 -4.499 -1.285 75 HB2 LYS 13 HB2 LYS 13 8.969 -2.195 -2.322 76 HB3 LYS 13 HB3 LYS 13 7.459 -2.296 -3.206 77 HG2 LYS 13 HG2 LYS 13 7.602 -2.442 -0.199 78 HG3 LYS 13 HG3 LYS 13 7.447 -0.926 -1.075 79 HD2 LYS 13 HD2 LYS 13 5.500 -3.239 -1.161 80 HD3 LYS 13 HD3 LYS 13 5.279 -1.738 -0.264 81 HE2 LYS 13 HE2 LYS 13 5.468 -2.032 -3.267 82 HE3 LYS 13 HE3 LYS 13 4.015 -1.682 -2.338 83 HZ1 LYS 13 HZ1 LYS 13 6.397 0.071 -2.612 84 HZ2 LYS 13 HZ2 LYS 13 5.085 0.401 -1.609 85 HZ3 LYS 13 HZ3 LYS 13 4.870 0.334 -3.284 86 H VAL 14 H VAL 14 6.477 -5.880 -1.373 87 HA VAL 14 HA VAL 14 5.215 -6.446 -3.941 88 HB VAL 14 HB VAL 14 4.610 -7.838 -1.342 89 HG11 VAL 14 HG11 VAL 14 4.364 -8.574 -4.244 90 HG12 VAL 14 HG12 VAL 14 3.071 -8.384 -3.056 91 HG13 VAL 14 HG13 VAL 14 4.201 -9.733 -2.931 92 HG21 VAL 14 HG21 VAL 14 6.338 -9.489 -1.907 93 HG22 VAL 14 HG22 VAL 14 7.036 -7.894 -1.624 94 HG23 VAL 14 HG23 VAL 14 6.840 -8.491 -3.272 95 H ASP 15 H ASP 15 3.072 -6.135 -4.384 96 HA ASP 15 HA ASP 15 1.641 -4.332 -2.582 97 HB2 ASP 15 HB2 ASP 15 1.544 -4.874 -5.506 98 HB3 ASP 15 HB3 ASP 15 0.072 -4.323 -4.731 99 HA PRO 16 HA PRO 16 -0.959 -7.576 -1.087 100 HB2 PRO 16 HB2 PRO 16 -3.097 -6.013 -0.338 101 HB3 PRO 16 HB3 PRO 16 -1.628 -6.224 0.621 102 HG2 PRO 16 HG2 PRO 16 -2.381 -3.997 -1.229 103 HG3 PRO 16 HG3 PRO 16 -1.602 -3.917 0.363 104 HD2 PRO 16 HD2 PRO 16 -0.194 -3.652 -1.897 105 HD3 PRO 16 HD3 PRO 16 0.475 -4.500 -0.488 106 H GLU 17 H GLU 17 -2.135 -5.311 -3.532 107 HA GLU 17 HA GLU 17 -4.634 -6.483 -4.012 108 HB2 GLU 17 HB2 GLU 17 -2.813 -4.872 -5.793 109 HB3 GLU 17 HB3 GLU 17 -4.355 -5.483 -6.360 110 HG2 GLU 17 HG2 GLU 17 -5.436 -4.234 -4.465 111 HG3 GLU 17 HG3 GLU 17 -3.864 -3.494 -4.157 112 H ARG 18 H ARG 18 -1.423 -7.379 -5.125 113 HA ARG 18 HA ARG 18 -2.586 -9.747 -6.409 114 HB2 ARG 18 HB2 ARG 18 -0.601 -7.924 -7.763 115 HB3 ARG 18 HB3 ARG 18 -1.256 -9.420 -8.424 116 HG2 ARG 18 HG2 ARG 18 -3.483 -8.431 -8.470 117 HG3 ARG 18 HG3 ARG 18 -2.839 -6.948 -7.758 118 HD2 ARG 18 HD2 ARG 18 -1.343 -6.742 -9.734 119 HD3 ARG 18 HD3 ARG 18 -2.166 -8.124 -10.447 120 HE ARG 18 HE ARG 18 -4.182 -6.801 -10.508 121 HH11 ARG 18 HH11 ARG 18 -1.214 -5.029 -9.852 122 HH12 ARG 18 HH12 ARG 18 -1.821 -3.532 -10.459 123 HH21 ARG 18 HH21 ARG 18 -4.988 -4.795 -11.328 124 HH22 ARG 18 HH22 ARG 18 -3.977 -3.394 -11.297 125 H VAL 19 H VAL 19 -1.180 -9.558 -3.963 126 HA VAL 19 HA VAL 19 1.556 -10.319 -4.439 127 HB VAL 19 HB VAL 19 1.189 -9.102 -2.408 128 HG11 VAL 19 HG11 VAL 19 -0.791 -11.244 -1.667 129 HG12 VAL 19 HG12 VAL 19 -1.157 -9.554 -2.038 130 HG13 VAL 19 HG13 VAL 19 -0.221 -9.967 -0.594 131 HG21 VAL 19 HG21 VAL 19 1.625 -12.000 -1.734 132 HG22 VAL 19 HG22 VAL 19 2.059 -10.625 -0.723 133 HG23 VAL 19 HG23 VAL 19 2.862 -10.869 -2.275 134 H PHE 20 H PHE 20 2.341 -12.316 -4.719 135 HA PHE 20 HA PHE 20 0.569 -14.561 -4.664 136 HB2 PHE 20 HB2 PHE 20 2.631 -14.182 -6.223 137 HB3 PHE 20 HB3 PHE 20 3.558 -14.791 -4.857 138 HD1 PHE 20 HD1 PHE 20 1.192 -15.588 -7.454 139 HD2 PHE 20 HD2 PHE 20 3.317 -17.101 -4.115 140 HE1 PHE 20 HE1 PHE 20 0.634 -17.891 -8.156 141 HE2 PHE 20 HE2 PHE 20 2.780 -19.405 -4.796 142 HZ PHE 20 HZ PHE 20 1.434 -19.802 -6.821 143 H ASN 21 H ASN 21 -0.017 -15.375 -2.792 144 HA ASN 21 HA ASN 21 1.824 -15.238 -0.539 145 HB2 ASN 21 HB2 ASN 21 -0.497 -14.352 -0.295 146 HB3 ASN 21 HB3 ASN 21 -1.108 -15.978 -0.563 147 HD21 ASN 21 HD21 ASN 21 -1.210 -14.072 1.728 148 HD22 ASN 21 HD22 ASN 21 -0.662 -14.985 3.090 149 H HIS 22 H HIS 22 2.876 -16.932 0.122 150 HA HIS 22 HA HIS 22 1.856 -19.623 -0.451 151 HB2 HIS 22 HB2 HIS 22 3.539 -19.051 -2.164 152 HB3 HIS 22 HB3 HIS 22 4.709 -18.721 -0.893 153 HD2 HIS 22 HD2 HIS 22 5.210 -21.183 0.700 154 HE1 HIS 22 HE1 HIS 22 4.607 -23.616 -2.717 155 HE2 HIS 22 HE2 HIS 22 5.742 -23.428 -0.483 156 H ASP 23 H ASP 23 1.578 -20.573 1.410 157 HA ASP 23 HA ASP 23 1.848 -21.328 3.525 158 HB2 ASP 23 HB2 ASP 23 4.099 -22.005 2.650 159 HB3 ASP 23 HB3 ASP 23 4.747 -20.483 3.246 160 H GLY 24 H GLY 24 1.345 -18.423 2.873 161 HA2 GLY 24 HA2 GLY 24 0.474 -16.878 4.431 162 HA3 GLY 24 HA3 GLY 24 1.583 -17.505 5.640 163 H GLU 25 H GLU 25 3.421 -17.163 2.939 164 HA GLU 25 HA GLU 25 4.345 -14.548 3.878 165 HB2 GLU 25 HB2 GLU 25 5.694 -16.869 2.622 166 HB3 GLU 25 HB3 GLU 25 6.331 -15.271 2.271 167 HG2 GLU 25 HG2 GLU 25 7.507 -16.281 4.111 168 HG3 GLU 25 HG3 GLU 25 6.613 -14.861 4.649 169 H ALA 26 H ALA 26 4.950 -12.952 2.451 170 HA ALA 26 HA ALA 26 3.398 -12.932 -0.028 171 HB1 ALA 26 HB1 ALA 26 2.841 -11.149 1.452 172 HB2 ALA 26 HB2 ALA 26 3.789 -10.456 0.134 173 HB3 ALA 26 HB3 ALA 26 4.539 -10.749 1.702 174 H TYR 27 H TYR 27 4.526 -13.292 -1.860 175 HA TYR 27 HA TYR 27 7.306 -12.333 -1.947 176 HB2 TYR 27 HB2 TYR 27 6.147 -14.716 -3.390 177 HB3 TYR 27 HB3 TYR 27 7.813 -14.166 -3.465 178 HD1 TYR 27 HD1 TYR 27 5.273 -15.785 -1.339 179 HD2 TYR 27 HD2 TYR 27 9.376 -14.742 -1.732 180 HE1 TYR 27 HE1 TYR 27 5.833 -17.328 0.484 181 HE2 TYR 27 HE2 TYR 27 9.949 -16.281 0.098 182 HH TYR 27 HH TYR 27 7.805 -18.620 1.251 183 H CYS 28 H CYS 28 7.999 -11.419 -3.937 184 HA CYS 28 HA CYS 28 6.059 -9.983 -5.370 185 HB2 CYS 28 HB2 CYS 28 7.906 -9.319 -6.834 186 HB3 CYS 28 HB3 CYS 28 8.376 -9.223 -5.143 187 H SER 29 H SER 29 7.417 -13.157 -5.856 188 HA SER 29 HA SER 29 5.583 -13.579 -8.072 189 HB2 SER 29 HB2 SER 29 7.735 -12.880 -9.122 190 HB3 SER 29 HB3 SER 29 8.519 -14.252 -8.337 191 HG SER 29 HG SER 29 6.497 -14.289 -10.307 192 H GLN 30 H GLN 30 5.421 -15.860 -8.674 193 HA GLN 30 HA GLN 30 5.144 -17.532 -6.443 194 HB2 GLN 30 HB2 GLN 30 4.670 -19.320 -8.147 195 HB3 GLN 30 HB3 GLN 30 3.693 -17.872 -8.316 196 HG2 GLN 30 HG2 GLN 30 4.246 -18.293 -10.497 197 HG3 GLN 30 HG3 GLN 30 5.529 -17.179 -10.037 198 HE21 GLN 30 HE21 GLN 30 7.085 -17.827 -11.374 199 HE22 GLN 30 HE22 GLN 30 7.797 -19.407 -11.365 200 H ALA 31 H ALA 31 7.787 -17.008 -8.649 201 HA ALA 31 HA ALA 31 9.180 -19.412 -8.196 202 HB1 ALA 31 HB1 ALA 31 11.139 -18.292 -9.066 203 HB2 ALA 31 HB2 ALA 31 10.353 -16.720 -8.887 204 HB3 ALA 31 HB3 ALA 31 9.727 -17.899 -10.044 205 H CYS 32 H CYS 32 9.509 -16.219 -6.608 206 HA CYS 32 HA CYS 32 11.379 -17.128 -4.689 207 HB2 CYS 32 HB2 CYS 32 9.516 -14.756 -4.764 208 HB3 CYS 32 HB3 CYS 32 10.484 -15.105 -3.338 209 H ALA 33 H ALA 33 7.846 -16.899 -4.720 210 HA ALA 33 HA ALA 33 7.302 -17.653 -2.117 211 HB1 ALA 33 HB1 ALA 33 5.123 -18.265 -2.869 212 HB2 ALA 33 HB2 ALA 33 5.685 -18.443 -4.530 213 HB3 ALA 33 HB3 ALA 33 5.638 -16.846 -3.780 214 H GLU 34 H GLU 34 7.956 -19.657 -4.916 215 HA GLU 34 HA GLU 34 7.619 -22.061 -3.358 216 HB2 GLU 34 HB2 GLU 34 8.125 -21.458 -6.221 217 HB3 GLU 34 HB3 GLU 34 8.424 -23.076 -5.617 218 HG2 GLU 34 HG2 GLU 34 6.038 -22.927 -4.677 219 HG3 GLU 34 HG3 GLU 34 5.856 -21.559 -5.776 220 H GLN 35 H GLN 35 9.953 -19.953 -3.190 221 HA GLN 35 HA GLN 35 12.096 -20.007 -2.509 222 HB2 GLN 35 HB2 GLN 35 11.627 -22.969 -2.120 223 HB3 GLN 35 HB3 GLN 35 12.857 -21.984 -1.336 224 HG2 GLN 35 HG2 GLN 35 11.199 -20.769 -0.103 225 HG3 GLN 35 HG3 GLN 35 9.898 -21.536 -1.004 226 HE21 GLN 35 HE21 GLN 35 8.945 -22.303 0.877 227 HE22 GLN 35 HE22 GLN 35 9.605 -23.636 1.760 228 H HIS 36 H HIS 36 11.396 -20.429 -5.284 229 HA HIS 36 HA HIS 36 12.335 -20.760 -7.306 230 HB2 HIS 36 HB2 HIS 36 14.985 -21.109 -5.900 231 HB3 HIS 36 HB3 HIS 36 14.705 -20.590 -7.562 232 HD1 HIS 36 HD1 HIS 36 14.259 -18.108 -7.956 233 HD2 HIS 36 HD2 HIS 36 14.385 -19.150 -3.927 234 HE1 HIS 36 HE1 HIS 36 14.296 -15.945 -6.697 235 HA PRO 37 HA PRO 37 12.336 -25.314 -6.772 236 HB2 PRO 37 HB2 PRO 37 10.209 -25.804 -8.345 237 HB3 PRO 37 HB3 PRO 37 10.030 -25.307 -6.657 238 HG2 PRO 37 HG2 PRO 37 9.771 -23.682 -9.150 239 HG3 PRO 37 HG3 PRO 37 8.781 -23.643 -7.681 240 HD2 PRO 37 HD2 PRO 37 10.772 -21.838 -8.240 241 HD3 PRO 37 HD3 PRO 37 10.237 -22.243 -6.598 242 H ASN 38 H ASN 38 11.914 -23.352 -9.690 243 HA ASN 38 HA ASN 38 13.314 -25.388 -11.264 244 HB2 ASN 38 HB2 ASN 38 11.865 -22.876 -12.128 245 HB3 ASN 38 HB3 ASN 38 12.684 -23.981 -13.222 246 HD21 ASN 38 HD21 ASN 38 11.850 -26.363 -11.745 247 HD22 ASN 38 HD22 ASN 38 10.169 -26.564 -12.099 248 H GLY 39 H GLY 39 14.087 -22.977 -9.321 249 HA2 GLY 39 HA2 GLY 39 16.002 -21.778 -8.979 250 HA3 GLY 39 HA3 GLY 39 16.725 -22.740 -10.256 251 H GLU 40 H GLU 40 13.967 -20.506 -10.478 252 HA GLU 40 HA GLU 40 15.637 -18.930 -12.292 253 HB2 GLU 40 HB2 GLU 40 13.672 -18.181 -13.424 254 HB3 GLU 40 HB3 GLU 40 13.569 -19.927 -13.273 255 HG2 GLU 40 HG2 GLU 40 12.301 -18.761 -11.033 256 HG3 GLU 40 HG3 GLU 40 11.697 -17.984 -12.499 257 HA PRO 41 HA PRO 41 15.452 -15.525 -9.495 258 HB2 PRO 41 HB2 PRO 41 15.831 -13.497 -11.260 259 HB3 PRO 41 HB3 PRO 41 17.130 -14.599 -10.789 260 HG2 PRO 41 HG2 PRO 41 15.425 -14.627 -13.251 261 HG3 PRO 41 HG3 PRO 41 17.171 -14.894 -13.098 262 HD2 PRO 41 HD2 PRO 41 15.390 -16.927 -13.359 263 HD3 PRO 41 HD3 PRO 41 16.904 -17.089 -12.446 264 H CYS 42 H CYS 42 14.280 -13.299 -9.313 265 HA CYS 42 HA CYS 42 11.499 -13.766 -9.875 266 HB2 CYS 42 HB2 CYS 42 11.079 -11.821 -8.503 267 HB3 CYS 42 HB3 CYS 42 12.309 -12.800 -7.712 268 HA PRO 43 HA PRO 43 11.201 -11.419 -13.577 269 HB2 PRO 43 HB2 PRO 43 8.672 -10.470 -13.454 270 HB3 PRO 43 HB3 PRO 43 9.035 -12.186 -13.675 271 HG2 PRO 43 HG2 PRO 43 8.302 -10.716 -11.169 272 HG3 PRO 43 HG3 PRO 43 7.695 -12.271 -11.768 273 HD2 PRO 43 HD2 PRO 43 9.608 -12.088 -9.861 274 HD3 PRO 43 HD3 PRO 43 9.551 -13.422 -11.030 275 H HIS 44 H HIS 44 12.602 -9.853 -11.676 276 HA HIS 44 HA HIS 44 11.619 -7.151 -12.338 277 HB2 HIS 44 HB2 HIS 44 12.769 -8.164 -9.743 278 HB3 HIS 44 HB3 HIS 44 12.838 -6.460 -10.169 279 HD2 HIS 44 HD2 HIS 44 10.481 -5.067 -9.825 280 HE1 HIS 44 HE1 HIS 44 8.174 -8.351 -8.474 281 HE2 HIS 44 HE2 HIS 44 8.306 -5.850 -8.664 282 HA PRO 45 HA PRO 45 15.770 -6.910 -14.086 283 HB2 PRO 45 HB2 PRO 45 15.663 -4.335 -14.909 284 HB3 PRO 45 HB3 PRO 45 14.806 -5.621 -15.767 285 HG2 PRO 45 HG2 PRO 45 13.748 -3.658 -13.764 286 HG3 PRO 45 HG3 PRO 45 13.041 -4.164 -15.310 287 HD2 PRO 45 HD2 PRO 45 12.216 -5.195 -12.939 288 HD3 PRO 45 HD3 PRO 45 12.226 -6.135 -14.438 289 H ASP 46 H ASP 46 14.377 -5.095 -11.565 290 HA ASP 46 HA ASP 46 16.677 -3.552 -10.824 291 HB2 ASP 46 HB2 ASP 46 14.508 -2.677 -10.297 292 HB3 ASP 46 HB3 ASP 46 14.051 -4.152 -9.459 293 H CYS 47 H CYS 47 15.737 -6.778 -10.392 294 HA CYS 47 HA CYS 47 17.775 -7.099 -8.325 295 HB2 CYS 47 HB2 CYS 47 15.646 -7.128 -7.163 296 HB3 CYS 47 HB3 CYS 47 15.021 -8.335 -8.281 297 H HIS 48 H HIS 48 18.630 -9.240 -8.178 298 HA HIS 48 HA HIS 48 17.953 -11.145 -10.229 299 HB2 HIS 48 HB2 HIS 48 19.678 -9.617 -11.280 300 HB3 HIS 48 HB3 HIS 48 20.811 -10.157 -10.047 301 HD1 HIS 48 HD1 HIS 48 22.161 -10.950 -12.283 302 HD2 HIS 48 HD2 HIS 48 18.730 -13.088 -11.318 303 HE1 HIS 48 HE1 HIS 48 22.323 -13.100 -13.563 304 HE2 HIS 48 HE2 HIS 48 20.149 -14.281 -13.117 305 H CYS 49 H CYS 49 17.288 -11.812 -7.965 306 HA CYS 49 HA CYS 49 19.357 -12.825 -6.242 307 HB2 CYS 49 HB2 CYS 49 17.493 -13.648 -4.904 308 HB3 CYS 49 HB3 CYS 49 17.184 -11.986 -5.397 309 H GLU 50 H GLU 50 17.888 -15.272 -5.578 310 HA GLU 50 HA GLU 50 17.721 -17.465 -6.078 311 HB2 GLU 50 HB2 GLU 50 16.533 -16.594 -8.153 312 HB3 GLU 50 HB3 GLU 50 18.058 -16.754 -9.002 313 HG2 GLU 50 HG2 GLU 50 16.670 -19.041 -7.636 314 HG3 GLU 50 HG3 GLU 50 16.404 -18.608 -9.321 315 H ARG 51 H ARG 51 20.078 -16.068 -8.352 316 HA ARG 51 HA ARG 51 21.936 -18.194 -8.069 317 HB2 ARG 51 HB2 ARG 51 23.493 -16.785 -9.252 318 HB3 ARG 51 HB3 ARG 51 21.910 -16.628 -10.000 319 HG2 ARG 51 HG2 ARG 51 21.578 -14.485 -9.103 320 HG3 ARG 51 HG3 ARG 51 22.901 -14.677 -7.950 321 HD2 ARG 51 HD2 ARG 51 24.471 -14.785 -9.844 322 HD3 ARG 51 HD3 ARG 51 23.130 -14.442 -10.943 323 HE ARG 51 HE ARG 51 23.287 -12.485 -8.896 324 HH11 ARG 51 HH11 ARG 51 24.876 -13.472 -11.867 325 HH12 ARG 51 HH12 ARG 51 25.458 -11.885 -12.232 326 HH21 ARG 51 HH21 ARG 51 24.059 -10.386 -9.366 327 HH22 ARG 51 HH22 ARG 51 24.992 -10.113 -10.798 328 H SER 52 H SER 52 24.070 -18.005 -7.122 329 HA SER 52 HA SER 52 25.447 -17.744 -5.362 330 HB2 SER 52 HB2 SER 52 25.544 -15.421 -6.320 331 HB3 SER 52 HB3 SER 52 24.306 -14.948 -5.160 332 HG SER 52 HG SER 52 26.958 -15.196 -4.814 Start of MODEL 2 1 HA ASN 1 HA ASN 1 6.909 -1.533 1.557 2 HB2 ASN 1 HB2 ASN 1 7.545 0.075 3.257 3 HB3 ASN 1 HB3 ASN 1 7.055 0.942 1.806 4 HD21 ASN 1 HD21 ASN 1 7.149 1.715 4.667 5 HD22 ASN 1 HD22 ASN 1 5.567 2.306 5.032 6 H GLU 2 H GLU 2 3.754 -1.794 2.322 7 HA GLU 2 HA GLU 2 3.994 -2.543 5.080 8 HB2 GLU 2 HB2 GLU 2 1.923 -1.590 3.835 9 HB3 GLU 2 HB3 GLU 2 1.659 -3.256 3.339 10 HG2 GLU 2 HG2 GLU 2 0.369 -2.646 5.328 11 HG3 GLU 2 HG3 GLU 2 1.506 -3.959 5.635 12 H LEU 3 H LEU 3 3.349 -4.274 2.066 13 HA LEU 3 HA LEU 3 3.937 -6.806 3.369 14 HB2 LEU 3 HB2 LEU 3 3.161 -6.200 0.514 15 HB3 LEU 3 HB3 LEU 3 3.368 -7.805 1.183 16 HG LEU 3 HG LEU 3 1.237 -5.807 1.935 17 HD11 LEU 3 HD11 LEU 3 1.108 -8.464 0.525 18 HD12 LEU 3 HD12 LEU 3 0.863 -6.877 -0.206 19 HD13 LEU 3 HD13 LEU 3 -0.278 -7.480 0.996 20 HD21 LEU 3 HD21 LEU 3 1.766 -8.575 3.012 21 HD22 LEU 3 HD22 LEU 3 0.334 -7.602 3.349 22 HD23 LEU 3 HD23 LEU 3 1.918 -7.059 3.902 23 H ARG 4 H ARG 4 5.899 -7.606 3.416 24 HA ARG 4 HA ARG 4 7.897 -6.574 1.515 25 HB2 ARG 4 HB2 ARG 4 7.915 -6.489 4.254 26 HB3 ARG 4 HB3 ARG 4 8.823 -7.958 3.938 27 HG2 ARG 4 HG2 ARG 4 10.447 -6.772 2.665 28 HG3 ARG 4 HG3 ARG 4 9.471 -5.302 2.687 29 HD2 ARG 4 HD2 ARG 4 11.264 -5.120 4.302 30 HD3 ARG 4 HD3 ARG 4 9.711 -5.209 5.136 31 HE ARG 4 HE ARG 4 10.483 -7.780 5.109 32 HH11 ARG 4 HH11 ARG 4 12.179 -4.862 6.058 33 HH12 ARG 4 HH12 ARG 4 13.170 -5.667 7.225 34 HH21 ARG 4 HH21 ARG 4 11.782 -8.842 6.649 35 HH22 ARG 4 HH22 ARG 4 12.943 -7.946 7.567 36 H CYS 5 H CYS 5 9.204 -8.060 0.413 37 HA CYS 5 HA CYS 5 8.058 -10.540 -0.203 38 HB2 CYS 5 HB2 CYS 5 9.710 -9.210 -1.629 39 HB3 CYS 5 HB3 CYS 5 10.980 -9.869 -0.602 40 H GLY 6 H GLY 6 8.327 -12.565 0.541 41 HA2 GLY 6 HA2 GLY 6 9.547 -12.886 3.135 42 HA3 GLY 6 HA3 GLY 6 8.675 -14.116 2.232 43 H CYS 7 H CYS 7 10.980 -12.713 0.284 44 HA CYS 7 HA CYS 7 12.738 -15.005 0.605 45 HB2 CYS 7 HB2 CYS 7 11.810 -14.361 -1.639 46 HB3 CYS 7 HB3 CYS 7 12.722 -12.866 -1.538 47 HA PRO 8 HA PRO 8 15.251 -12.339 3.182 48 HB2 PRO 8 HB2 PRO 8 17.341 -14.052 3.510 49 HB3 PRO 8 HB3 PRO 8 15.810 -14.198 4.384 50 HG2 PRO 8 HG2 PRO 8 16.732 -15.650 1.931 51 HG3 PRO 8 HG3 PRO 8 15.918 -16.291 3.370 52 HD2 PRO 8 HD2 PRO 8 14.584 -15.801 1.097 53 HD3 PRO 8 HD3 PRO 8 13.841 -15.531 2.688 54 H ASP 9 H ASP 9 16.355 -13.684 0.167 55 HA ASP 9 HA ASP 9 18.669 -11.870 0.165 56 HB2 ASP 9 HB2 ASP 9 18.032 -14.381 -1.336 57 HB3 ASP 9 HB3 ASP 9 19.169 -13.225 -2.021 58 H CYS 10 H CYS 10 15.723 -11.278 -0.397 59 HA CYS 10 HA CYS 10 16.216 -9.917 -2.935 60 HB2 CYS 10 HB2 CYS 10 14.997 -11.911 -3.481 61 HB3 CYS 10 HB3 CYS 10 13.814 -11.565 -2.226 62 H HIS 11 H HIS 11 15.563 -7.865 -2.988 63 HA HIS 11 HA HIS 11 13.792 -6.911 -0.842 64 HB2 HIS 11 HB2 HIS 11 16.063 -5.501 -2.237 65 HB3 HIS 11 HB3 HIS 11 14.853 -4.640 -1.293 66 HD2 HIS 11 HD2 HIS 11 17.576 -7.424 -0.635 67 HE1 HIS 11 HE1 HIS 11 16.824 -5.298 2.953 68 HE2 HIS 11 HE2 HIS 11 18.341 -6.925 1.781 69 H CYS 12 H CYS 12 11.817 -6.892 -1.726 70 HA CYS 12 HA CYS 12 11.355 -5.086 -3.959 71 HB2 CYS 12 HB2 CYS 12 10.512 -7.993 -3.942 72 HB3 CYS 12 HB3 CYS 12 9.782 -6.801 -5.007 73 H LYS 13 H LYS 13 9.359 -4.064 -3.879 74 HA LYS 13 HA LYS 13 7.895 -4.314 -1.379 75 HB2 LYS 13 HB2 LYS 13 8.474 -2.071 -2.334 76 HB3 LYS 13 HB3 LYS 13 7.426 -2.415 -3.697 77 HG2 LYS 13 HG2 LYS 13 6.210 -2.602 -0.992 78 HG3 LYS 13 HG3 LYS 13 6.639 -0.994 -1.570 79 HD2 LYS 13 HD2 LYS 13 5.303 -1.458 -3.637 80 HD3 LYS 13 HD3 LYS 13 4.789 -2.980 -2.911 81 HE2 LYS 13 HE2 LYS 13 3.652 -1.855 -1.156 82 HE3 LYS 13 HE3 LYS 13 4.377 -0.311 -1.585 83 HZ1 LYS 13 HZ1 LYS 13 3.110 -0.277 -3.605 84 HZ2 LYS 13 HZ2 LYS 13 2.062 -0.514 -2.303 85 HZ3 LYS 13 HZ3 LYS 13 2.467 -1.814 -3.307 86 H VAL 14 H VAL 14 6.215 -5.595 -1.177 87 HA VAL 14 HA VAL 14 5.054 -6.739 -3.583 88 HB VAL 14 HB VAL 14 4.345 -7.516 -0.761 89 HG11 VAL 14 HG11 VAL 14 2.939 -8.350 -2.551 90 HG12 VAL 14 HG12 VAL 14 3.853 -9.652 -1.785 91 HG13 VAL 14 HG13 VAL 14 4.359 -9.022 -3.354 92 HG21 VAL 14 HG21 VAL 14 6.649 -8.564 -2.403 93 HG22 VAL 14 HG22 VAL 14 6.095 -9.225 -0.865 94 HG23 VAL 14 HG23 VAL 14 6.782 -7.602 -0.930 95 H ASP 15 H ASP 15 2.912 -6.656 -4.094 96 HA ASP 15 HA ASP 15 1.414 -4.536 -2.758 97 HB2 ASP 15 HB2 ASP 15 1.486 -5.497 -5.593 98 HB3 ASP 15 HB3 ASP 15 0.093 -4.622 -4.976 99 HA PRO 16 HA PRO 16 -1.331 -7.621 -1.273 100 HB2 PRO 16 HB2 PRO 16 -3.397 -6.010 -0.587 101 HB3 PRO 16 HB3 PRO 16 -1.890 -6.074 0.335 102 HG2 PRO 16 HG2 PRO 16 -2.770 -4.090 -1.724 103 HG3 PRO 16 HG3 PRO 16 -1.980 -3.803 -0.163 104 HD2 PRO 16 HD2 PRO 16 -0.627 -3.777 -2.504 105 HD3 PRO 16 HD3 PRO 16 0.109 -4.327 -0.983 106 H GLU 17 H GLU 17 -2.126 -5.524 -3.904 107 HA GLU 17 HA GLU 17 -4.686 -6.616 -4.463 108 HB2 GLU 17 HB2 GLU 17 -2.779 -5.013 -6.168 109 HB3 GLU 17 HB3 GLU 17 -4.432 -5.408 -6.621 110 HG2 GLU 17 HG2 GLU 17 -5.258 -3.742 -5.410 111 HG3 GLU 17 HG3 GLU 17 -4.298 -4.189 -4.003 112 H ARG 18 H ARG 18 -1.397 -7.321 -5.415 113 HA ARG 18 HA ARG 18 -2.314 -9.792 -6.639 114 HB2 ARG 18 HB2 ARG 18 -0.454 -7.878 -8.060 115 HB3 ARG 18 HB3 ARG 18 -0.930 -9.471 -8.632 116 HG2 ARG 18 HG2 ARG 18 -3.230 -8.734 -8.845 117 HG3 ARG 18 HG3 ARG 18 -2.796 -7.157 -8.180 118 HD2 ARG 18 HD2 ARG 18 -1.740 -8.345 -10.744 119 HD3 ARG 18 HD3 ARG 18 -2.985 -7.102 -10.623 120 HE ARG 18 HE ARG 18 -0.211 -6.715 -9.689 121 HH11 ARG 18 HH11 ARG 18 -3.083 -5.546 -11.334 122 HH12 ARG 18 HH12 ARG 18 -2.435 -3.973 -11.625 123 HH21 ARG 18 HH21 ARG 18 0.655 -4.620 -10.069 124 HH22 ARG 18 HH22 ARG 18 -0.305 -3.436 -10.888 125 H VAL 19 H VAL 19 -1.417 -10.563 -4.639 126 HA VAL 19 HA VAL 19 1.504 -10.833 -4.789 127 HB VAL 19 HB VAL 19 1.162 -9.477 -2.861 128 HG11 VAL 19 HG11 VAL 19 -1.235 -9.807 -2.564 129 HG12 VAL 19 HG12 VAL 19 -0.352 -10.039 -1.050 130 HG13 VAL 19 HG13 VAL 19 -0.933 -11.439 -1.954 131 HG21 VAL 19 HG21 VAL 19 1.866 -10.943 -1.016 132 HG22 VAL 19 HG22 VAL 19 2.747 -11.266 -2.510 133 HG23 VAL 19 HG23 VAL 19 1.454 -12.348 -1.996 134 H PHE 20 H PHE 20 2.309 -12.828 -4.667 135 HA PHE 20 HA PHE 20 0.379 -14.991 -4.529 136 HB2 PHE 20 HB2 PHE 20 3.278 -14.949 -5.372 137 HB3 PHE 20 HB3 PHE 20 2.283 -16.404 -5.314 138 HD1 PHE 20 HD1 PHE 20 2.652 -13.120 -6.900 139 HD2 PHE 20 HD2 PHE 20 0.774 -16.916 -7.037 140 HE1 PHE 20 HE1 PHE 20 1.822 -12.614 -9.164 141 HE2 PHE 20 HE2 PHE 20 -0.062 -16.435 -9.293 142 HZ PHE 20 HZ PHE 20 0.456 -14.274 -10.363 143 H ASN 21 H ASN 21 -0.037 -15.678 -2.637 144 HA ASN 21 HA ASN 21 1.956 -15.537 -0.531 145 HB2 ASN 21 HB2 ASN 21 -0.979 -16.253 -0.453 146 HB3 ASN 21 HB3 ASN 21 0.075 -16.260 0.956 147 HD21 ASN 21 HD21 ASN 21 0.886 -14.288 1.733 148 HD22 ASN 21 HD22 ASN 21 0.126 -12.787 1.347 149 H HIS 22 H HIS 22 3.081 -17.174 0.130 150 HA HIS 22 HA HIS 22 2.148 -19.900 -0.347 151 HB2 HIS 22 HB2 HIS 22 3.592 -19.194 -2.255 152 HB3 HIS 22 HB3 HIS 22 4.910 -18.943 -1.114 153 HD2 HIS 22 HD2 HIS 22 5.536 -21.527 0.279 154 HE1 HIS 22 HE1 HIS 22 4.545 -23.689 -3.231 155 HE2 HIS 22 HE2 HIS 22 5.777 -23.746 -1.040 156 H ASP 23 H ASP 23 2.308 -20.975 1.458 157 HA ASP 23 HA ASP 23 2.901 -21.676 3.525 158 HB2 ASP 23 HB2 ASP 23 5.158 -21.933 2.432 159 HB3 ASP 23 HB3 ASP 23 5.573 -20.330 3.026 160 H GLY 24 H GLY 24 1.858 -18.919 2.912 161 HA2 GLY 24 HA2 GLY 24 0.823 -17.501 4.470 162 HA3 GLY 24 HA3 GLY 24 2.019 -17.968 5.664 163 H GLU 25 H GLU 25 3.762 -17.290 2.948 164 HA GLU 25 HA GLU 25 4.288 -14.592 3.966 165 HB2 GLU 25 HB2 GLU 25 5.963 -16.643 2.647 166 HB3 GLU 25 HB3 GLU 25 6.342 -14.961 2.311 167 HG2 GLU 25 HG2 GLU 25 7.679 -15.816 4.130 168 HG3 GLU 25 HG3 GLU 25 6.602 -14.535 4.682 169 H ALA 26 H ALA 26 4.623 -12.853 2.611 170 HA ALA 26 HA ALA 26 3.151 -12.967 0.076 171 HB1 ALA 26 HB1 ALA 26 3.177 -10.475 0.297 172 HB2 ALA 26 HB2 ALA 26 3.982 -10.668 1.855 173 HB3 ALA 26 HB3 ALA 26 2.351 -11.298 1.619 174 H TYR 27 H TYR 27 4.438 -13.323 -1.643 175 HA TYR 27 HA TYR 27 7.144 -12.181 -1.602 176 HB2 TYR 27 HB2 TYR 27 6.039 -14.421 -3.300 177 HB3 TYR 27 HB3 TYR 27 7.700 -13.848 -3.298 178 HD1 TYR 27 HD1 TYR 27 5.147 -15.656 -1.359 179 HD2 TYR 27 HD2 TYR 27 9.237 -14.525 -1.589 180 HE1 TYR 27 HE1 TYR 27 5.688 -17.281 0.399 181 HE2 TYR 27 HE2 TYR 27 9.790 -16.148 0.169 182 HH TYR 27 HH TYR 27 7.501 -18.491 1.289 183 H CYS 28 H CYS 28 7.957 -11.279 -3.630 184 HA CYS 28 HA CYS 28 6.078 -9.498 -4.792 185 HB2 CYS 28 HB2 CYS 28 7.943 -8.773 -6.220 186 HB3 CYS 28 HB3 CYS 28 8.437 -8.893 -4.536 187 H SER 29 H SER 29 6.968 -12.690 -5.506 188 HA SER 29 HA SER 29 5.204 -12.772 -7.780 189 HB2 SER 29 HB2 SER 29 6.932 -13.773 -9.249 190 HB3 SER 29 HB3 SER 29 7.263 -12.087 -8.856 191 HG SER 29 HG SER 29 8.857 -12.705 -7.465 192 H GLN 30 H GLN 30 5.138 -15.118 -8.632 193 HA GLN 30 HA GLN 30 4.921 -16.816 -6.365 194 HB2 GLN 30 HB2 GLN 30 4.218 -18.595 -7.966 195 HB3 GLN 30 HB3 GLN 30 3.259 -17.133 -8.049 196 HG2 GLN 30 HG2 GLN 30 5.506 -17.401 -9.968 197 HG3 GLN 30 HG3 GLN 30 4.104 -18.443 -10.197 198 HE21 GLN 30 HE21 GLN 30 5.333 -15.225 -10.357 199 HE22 GLN 30 HE22 GLN 30 3.948 -14.500 -11.085 200 H ALA 31 H ALA 31 7.447 -16.165 -8.585 201 HA ALA 31 HA ALA 31 8.831 -18.622 -8.498 202 HB1 ALA 31 HB1 ALA 31 10.790 -17.374 -9.208 203 HB2 ALA 31 HB2 ALA 31 9.978 -15.853 -8.826 204 HB3 ALA 31 HB3 ALA 31 9.366 -16.882 -10.122 205 H CYS 32 H CYS 32 9.289 -15.666 -6.525 206 HA CYS 32 HA CYS 32 11.213 -16.803 -4.799 207 HB2 CYS 32 HB2 CYS 32 9.311 -14.482 -4.439 208 HB3 CYS 32 HB3 CYS 32 10.431 -14.971 -3.177 209 H ALA 33 H ALA 33 7.704 -16.703 -4.727 210 HA ALA 33 HA ALA 33 7.247 -17.749 -2.184 211 HB1 ALA 33 HB1 ALA 33 5.594 -18.135 -4.676 212 HB2 ALA 33 HB2 ALA 33 5.514 -16.744 -3.591 213 HB3 ALA 33 HB3 ALA 33 5.051 -18.340 -3.011 214 H GLU 34 H GLU 34 7.806 -19.345 -5.260 215 HA GLU 34 HA GLU 34 7.384 -21.991 -4.291 216 HB2 GLU 34 HB2 GLU 34 8.581 -20.843 -6.800 217 HB3 GLU 34 HB3 GLU 34 8.527 -22.572 -6.508 218 HG2 GLU 34 HG2 GLU 34 6.053 -20.903 -6.378 219 HG3 GLU 34 HG3 GLU 34 6.679 -21.509 -7.911 220 H GLN 35 H GLN 35 9.803 -19.883 -3.611 221 HA GLN 35 HA GLN 35 11.844 -20.058 -2.638 222 HB2 GLN 35 HB2 GLN 35 11.309 -23.036 -2.507 223 HB3 GLN 35 HB3 GLN 35 12.505 -22.149 -1.575 224 HG2 GLN 35 HG2 GLN 35 10.636 -20.889 -0.508 225 HG3 GLN 35 HG3 GLN 35 9.514 -21.944 -1.356 226 HE21 GLN 35 HE21 GLN 35 8.676 -22.760 0.549 227 HE22 GLN 35 HE22 GLN 35 9.547 -23.867 1.547 228 H HIS 36 H HIS 36 11.403 -20.411 -5.554 229 HA HIS 36 HA HIS 36 12.596 -20.740 -7.461 230 HB2 HIS 36 HB2 HIS 36 14.994 -20.827 -5.609 231 HB3 HIS 36 HB3 HIS 36 15.044 -20.583 -7.353 232 HD1 HIS 36 HD1 HIS 36 15.222 -18.208 -8.012 233 HD2 HIS 36 HD2 HIS 36 13.347 -18.653 -4.338 234 HE1 HIS 36 HE1 HIS 36 14.771 -15.883 -7.209 235 HA PRO 37 HA PRO 37 12.673 -25.330 -6.523 236 HB2 PRO 37 HB2 PRO 37 10.907 -25.938 -8.550 237 HB3 PRO 37 HB3 PRO 37 10.435 -25.632 -6.875 238 HG2 PRO 37 HG2 PRO 37 10.386 -23.789 -9.226 239 HG3 PRO 37 HG3 PRO 37 9.192 -23.981 -7.930 240 HD2 PRO 37 HD2 PRO 37 10.932 -21.936 -7.969 241 HD3 PRO 37 HD3 PRO 37 10.423 -22.693 -6.448 242 H ASN 38 H ASN 38 12.116 -24.242 -9.887 243 HA ASN 38 HA ASN 38 14.293 -25.978 -10.756 244 HB2 ASN 38 HB2 ASN 38 12.230 -24.431 -12.333 245 HB3 ASN 38 HB3 ASN 38 13.475 -25.440 -13.055 246 HD21 ASN 38 HD21 ASN 38 13.256 -27.452 -10.888 247 HD22 ASN 38 HD22 ASN 38 11.791 -28.303 -11.220 248 H GLY 39 H GLY 39 14.661 -23.331 -9.364 249 HA2 GLY 39 HA2 GLY 39 16.283 -21.694 -9.443 250 HA3 GLY 39 HA3 GLY 39 16.865 -22.422 -10.931 251 H GLU 40 H GLU 40 13.857 -20.796 -9.953 252 HA GLU 40 HA GLU 40 14.161 -19.095 -12.317 253 HB2 GLU 40 HB2 GLU 40 11.682 -18.734 -12.092 254 HB3 GLU 40 HB3 GLU 40 12.180 -20.356 -12.545 255 HG2 GLU 40 HG2 GLU 40 11.918 -21.039 -10.173 256 HG3 GLU 40 HG3 GLU 40 11.277 -19.433 -9.829 257 HA PRO 41 HA PRO 41 14.714 -15.750 -9.335 258 HB2 PRO 41 HB2 PRO 41 15.225 -13.828 -11.161 259 HB3 PRO 41 HB3 PRO 41 16.430 -15.043 -10.723 260 HG2 PRO 41 HG2 PRO 41 14.598 -14.965 -13.091 261 HG3 PRO 41 HG3 PRO 41 16.325 -15.363 -13.029 262 HD2 PRO 41 HD2 PRO 41 14.389 -17.260 -13.144 263 HD3 PRO 41 HD3 PRO 41 15.929 -17.517 -12.300 264 H CYS 42 H CYS 42 13.748 -13.468 -9.160 265 HA CYS 42 HA CYS 42 10.935 -13.659 -9.726 266 HB2 CYS 42 HB2 CYS 42 10.698 -11.747 -8.253 267 HB3 CYS 42 HB3 CYS 42 11.830 -12.874 -7.518 268 HA PRO 43 HA PRO 43 10.876 -11.140 -13.342 269 HB2 PRO 43 HB2 PRO 43 8.544 -9.781 -13.105 270 HB3 PRO 43 HB3 PRO 43 8.608 -11.520 -13.414 271 HG2 PRO 43 HG2 PRO 43 8.188 -10.075 -10.825 272 HG3 PRO 43 HG3 PRO 43 7.317 -11.476 -11.475 273 HD2 PRO 43 HD2 PRO 43 9.264 -11.717 -9.618 274 HD3 PRO 43 HD3 PRO 43 8.980 -12.954 -10.858 275 H HIS 44 H HIS 44 12.386 -9.944 -11.181 276 HA HIS 44 HA HIS 44 12.043 -7.104 -11.831 277 HB2 HIS 44 HB2 HIS 44 12.723 -8.430 -9.198 278 HB3 HIS 44 HB3 HIS 44 13.116 -6.745 -9.511 279 HD2 HIS 44 HD2 HIS 44 11.004 -4.988 -9.314 280 HE1 HIS 44 HE1 HIS 44 8.042 -7.833 -8.242 281 HE2 HIS 44 HE2 HIS 44 8.669 -5.399 -8.270 282 HA PRO 45 HA PRO 45 16.226 -8.072 -13.254 283 HB2 PRO 45 HB2 PRO 45 16.646 -5.912 -14.754 284 HB3 PRO 45 HB3 PRO 45 15.478 -7.143 -15.252 285 HG2 PRO 45 HG2 PRO 45 14.995 -4.496 -13.942 286 HG3 PRO 45 HG3 PRO 45 14.114 -5.257 -15.280 287 HD2 PRO 45 HD2 PRO 45 13.283 -5.315 -12.641 288 HD3 PRO 45 HD3 PRO 45 12.818 -6.507 -13.859 289 H ASP 46 H ASP 46 15.303 -5.973 -10.940 290 HA ASP 46 HA ASP 46 17.578 -4.255 -10.767 291 HB2 ASP 46 HB2 ASP 46 15.268 -3.843 -9.769 292 HB3 ASP 46 HB3 ASP 46 15.726 -4.976 -8.503 293 H CYS 47 H CYS 47 16.669 -7.367 -9.429 294 HA CYS 47 HA CYS 47 19.406 -7.704 -8.469 295 HB2 CYS 47 HB2 CYS 47 18.735 -8.546 -6.370 296 HB3 CYS 47 HB3 CYS 47 17.759 -7.096 -6.584 297 H HIS 48 H HIS 48 19.553 -10.114 -7.750 298 HA HIS 48 HA HIS 48 17.875 -11.860 -9.305 299 HB2 HIS 48 HB2 HIS 48 20.794 -11.455 -9.894 300 HB3 HIS 48 HB3 HIS 48 20.002 -12.986 -10.244 301 HD1 HIS 48 HD1 HIS 48 20.653 -9.701 -11.655 302 HD2 HIS 48 HD2 HIS 48 17.751 -12.640 -12.125 303 HE1 HIS 48 HE1 HIS 48 19.486 -9.165 -13.808 304 HE2 HIS 48 HE2 HIS 48 17.765 -10.971 -14.099 305 H CYS 49 H CYS 49 17.289 -12.416 -7.161 306 HA CYS 49 HA CYS 49 19.166 -13.415 -5.291 307 HB2 CYS 49 HB2 CYS 49 16.952 -14.354 -4.258 308 HB3 CYS 49 HB3 CYS 49 17.244 -12.620 -4.288 309 H GLU 50 H GLU 50 18.079 -14.748 -8.112 310 HA GLU 50 HA GLU 50 17.945 -17.504 -7.271 311 HB2 GLU 50 HB2 GLU 50 16.600 -16.610 -9.146 312 HB3 GLU 50 HB3 GLU 50 18.079 -16.325 -10.045 313 HG2 GLU 50 HG2 GLU 50 18.099 -19.024 -9.239 314 HG3 GLU 50 HG3 GLU 50 16.492 -18.666 -9.878 315 H ARG 51 H ARG 51 20.134 -15.652 -9.425 316 HA ARG 51 HA ARG 51 22.143 -17.736 -9.164 317 HB2 ARG 51 HB2 ARG 51 23.352 -16.661 -10.910 318 HB3 ARG 51 HB3 ARG 51 21.664 -16.633 -11.386 319 HG2 ARG 51 HG2 ARG 51 21.477 -14.315 -10.892 320 HG3 ARG 51 HG3 ARG 51 23.049 -14.295 -10.089 321 HD2 ARG 51 HD2 ARG 51 24.102 -14.899 -12.248 322 HD3 ARG 51 HD3 ARG 51 22.526 -14.766 -13.023 323 HE ARG 51 HE ARG 51 22.556 -12.384 -12.357 324 HH11 ARG 51 HH11 ARG 51 25.589 -14.132 -12.543 325 HH12 ARG 51 HH12 ARG 51 26.544 -12.716 -12.805 326 HH21 ARG 51 HH21 ARG 51 23.811 -10.491 -12.709 327 HH22 ARG 51 HH22 ARG 51 25.523 -10.629 -12.904 328 H SER 52 H SER 52 24.434 -16.989 -8.791 329 HA SER 52 HA SER 52 25.983 -16.234 -7.357 330 HB2 SER 52 HB2 SER 52 26.042 -13.752 -6.972 331 HB3 SER 52 HB3 SER 52 25.881 -14.221 -8.660 332 HG SER 52 HG SER 52 23.440 -13.938 -7.568 Start of MODEL 3 1 HA ASN 1 HA ASN 1 -0.419 -2.222 3.263 2 HB2 ASN 1 HB2 ASN 1 -0.659 0.074 4.215 3 HB3 ASN 1 HB3 ASN 1 0.995 0.415 3.723 4 HD21 ASN 1 HD21 ASN 1 0.405 2.071 2.365 5 HD22 ASN 1 HD22 ASN 1 -0.422 1.804 0.870 6 H GLU 2 H GLU 2 2.911 -1.480 4.072 7 HA GLU 2 HA GLU 2 3.758 -2.011 1.339 8 HB2 GLU 2 HB2 GLU 2 4.855 -0.142 2.445 9 HB3 GLU 2 HB3 GLU 2 5.335 -1.173 3.786 10 HG2 GLU 2 HG2 GLU 2 6.815 -2.425 2.355 11 HG3 GLU 2 HG3 GLU 2 6.262 -1.530 0.946 12 H LEU 3 H LEU 3 3.634 -4.141 0.918 13 HA LEU 3 HA LEU 3 4.526 -6.056 2.890 14 HB2 LEU 3 HB2 LEU 3 3.340 -6.329 0.136 15 HB3 LEU 3 HB3 LEU 3 4.037 -7.703 0.971 16 HG LEU 3 HG LEU 3 1.635 -7.716 1.201 17 HD11 LEU 3 HD11 LEU 3 2.946 -6.963 3.801 18 HD12 LEU 3 HD12 LEU 3 2.961 -8.562 3.057 19 HD13 LEU 3 HD13 LEU 3 1.441 -7.861 3.611 20 HD21 LEU 3 HD21 LEU 3 0.447 -5.957 2.433 21 HD22 LEU 3 HD22 LEU 3 1.161 -5.357 0.935 22 HD23 LEU 3 HD23 LEU 3 1.933 -5.005 2.482 23 H ARG 4 H ARG 4 6.382 -7.125 2.862 24 HA ARG 4 HA ARG 4 8.314 -6.355 0.805 25 HB2 ARG 4 HB2 ARG 4 8.519 -6.971 3.684 26 HB3 ARG 4 HB3 ARG 4 9.855 -7.470 2.654 27 HG2 ARG 4 HG2 ARG 4 10.247 -5.251 1.940 28 HG3 ARG 4 HG3 ARG 4 8.761 -4.677 2.712 29 HD2 ARG 4 HD2 ARG 4 10.835 -4.178 3.978 30 HD3 ARG 4 HD3 ARG 4 9.640 -5.116 4.874 31 HE ARG 4 HE ARG 4 11.130 -7.086 3.986 32 HH11 ARG 4 HH11 ARG 4 12.233 -3.986 5.224 33 HH12 ARG 4 HH12 ARG 4 13.705 -4.631 5.863 34 HH21 ARG 4 HH21 ARG 4 13.079 -7.930 4.825 35 HH22 ARG 4 HH22 ARG 4 14.199 -6.879 5.624 36 H CYS 5 H CYS 5 9.784 -7.963 0.063 37 HA CYS 5 HA CYS 5 8.466 -10.422 -0.501 38 HB2 CYS 5 HB2 CYS 5 10.029 -9.138 -2.054 39 HB3 CYS 5 HB3 CYS 5 11.349 -9.763 -1.068 40 H GLY 6 H GLY 6 8.777 -12.378 0.401 41 HA2 GLY 6 HA2 GLY 6 10.127 -12.537 2.920 42 HA3 GLY 6 HA3 GLY 6 9.315 -13.856 2.089 43 H CYS 7 H CYS 7 11.266 -12.789 -0.219 44 HA CYS 7 HA CYS 7 13.187 -14.862 0.227 45 HB2 CYS 7 HB2 CYS 7 12.243 -14.451 -2.005 46 HB3 CYS 7 HB3 CYS 7 12.937 -12.839 -2.008 47 HA PRO 8 HA PRO 8 15.916 -12.131 2.467 48 HB2 PRO 8 HB2 PRO 8 18.024 -13.854 2.630 49 HB3 PRO 8 HB3 PRO 8 16.594 -13.959 3.664 50 HG2 PRO 8 HG2 PRO 8 17.254 -15.498 1.185 51 HG3 PRO 8 HG3 PRO 8 16.565 -16.079 2.712 52 HD2 PRO 8 HD2 PRO 8 15.044 -15.630 0.543 53 HD3 PRO 8 HD3 PRO 8 14.444 -15.326 2.186 54 H ASP 9 H ASP 9 16.752 -13.641 -0.583 55 HA ASP 9 HA ASP 9 19.096 -11.897 -0.861 56 HB2 ASP 9 HB2 ASP 9 19.262 -14.337 -1.504 57 HB3 ASP 9 HB3 ASP 9 18.111 -14.019 -2.790 58 H CYS 10 H CYS 10 15.955 -11.453 -1.209 59 HA CYS 10 HA CYS 10 16.288 -9.835 -3.619 60 HB2 CYS 10 HB2 CYS 10 15.138 -11.816 -4.263 61 HB3 CYS 10 HB3 CYS 10 14.006 -11.639 -2.927 62 H HIS 11 H HIS 11 15.572 -7.832 -3.505 63 HA HIS 11 HA HIS 11 13.854 -7.032 -1.243 64 HB2 HIS 11 HB2 HIS 11 14.923 -4.734 -1.582 65 HB3 HIS 11 HB3 HIS 11 15.953 -5.983 -0.894 66 HD2 HIS 11 HD2 HIS 11 15.786 -3.681 -3.992 67 HE1 HIS 11 HE1 HIS 11 19.153 -6.209 -4.463 68 HE2 HIS 11 HE2 HIS 11 17.707 -4.452 -5.531 69 H CYS 12 H CYS 12 11.825 -7.003 -2.119 70 HA CYS 12 HA CYS 12 11.352 -5.063 -4.260 71 HB2 CYS 12 HB2 CYS 12 10.366 -7.928 -4.292 72 HB3 CYS 12 HB3 CYS 12 9.667 -6.666 -5.294 73 H LYS 13 H LYS 13 9.457 -3.890 -4.045 74 HA LYS 13 HA LYS 13 7.973 -4.195 -1.555 75 HB2 LYS 13 HB2 LYS 13 8.721 -1.962 -2.814 76 HB3 LYS 13 HB3 LYS 13 7.216 -2.199 -3.677 77 HG2 LYS 13 HG2 LYS 13 7.403 -2.001 -0.664 78 HG3 LYS 13 HG3 LYS 13 7.112 -0.620 -1.712 79 HD2 LYS 13 HD2 LYS 13 5.319 -3.062 -1.516 80 HD3 LYS 13 HD3 LYS 13 5.029 -1.534 -0.689 81 HE2 LYS 13 HE2 LYS 13 5.216 -1.871 -3.682 82 HE3 LYS 13 HE3 LYS 13 3.711 -1.796 -2.769 83 HZ1 LYS 13 HZ1 LYS 13 5.752 0.346 -2.966 84 HZ2 LYS 13 HZ2 LYS 13 4.367 0.415 -2.001 85 HZ3 LYS 13 HZ3 LYS 13 4.220 0.348 -3.679 86 H VAL 14 H VAL 14 6.314 -5.539 -1.470 87 HA VAL 14 HA VAL 14 5.035 -6.400 -3.952 88 HB VAL 14 HB VAL 14 4.528 -7.511 -1.201 89 HG11 VAL 14 HG11 VAL 14 3.979 -9.539 -2.483 90 HG12 VAL 14 HG12 VAL 14 4.235 -8.637 -3.977 91 HG13 VAL 14 HG13 VAL 14 2.937 -8.173 -2.874 92 HG21 VAL 14 HG21 VAL 14 6.239 -9.214 -1.675 93 HG22 VAL 14 HG22 VAL 14 6.930 -7.595 -1.557 94 HG23 VAL 14 HG23 VAL 14 6.689 -8.338 -3.138 95 H ASP 15 H ASP 15 2.849 -6.239 -4.312 96 HA ASP 15 HA ASP 15 1.491 -4.151 -2.837 97 HB2 ASP 15 HB2 ASP 15 1.077 -5.499 -5.468 98 HB3 ASP 15 HB3 ASP 15 -0.273 -4.682 -4.703 99 HA PRO 16 HA PRO 16 -0.804 -7.027 -0.368 100 HB2 PRO 16 HB2 PRO 16 -2.781 -5.312 0.414 101 HB3 PRO 16 HB3 PRO 16 -1.160 -5.319 1.117 102 HG2 PRO 16 HG2 PRO 16 -2.299 -3.539 -0.998 103 HG3 PRO 16 HG3 PRO 16 -1.272 -3.117 0.385 104 HD2 PRO 16 HD2 PRO 16 -0.279 -3.360 -2.100 105 HD3 PRO 16 HD3 PRO 16 0.656 -3.836 -0.670 106 H GLU 17 H GLU 17 -2.312 -5.156 -2.949 107 HA GLU 17 HA GLU 17 -4.814 -6.499 -2.870 108 HB2 GLU 17 HB2 GLU 17 -3.497 -4.897 -5.069 109 HB3 GLU 17 HB3 GLU 17 -5.132 -5.530 -5.167 110 HG2 GLU 17 HG2 GLU 17 -5.727 -4.190 -3.177 111 HG3 GLU 17 HG3 GLU 17 -4.105 -3.502 -3.188 112 H ARG 18 H ARG 18 -1.745 -7.170 -4.389 113 HA ARG 18 HA ARG 18 -2.788 -9.725 -5.307 114 HB2 ARG 18 HB2 ARG 18 -1.204 -7.922 -7.139 115 HB3 ARG 18 HB3 ARG 18 -1.841 -9.513 -7.523 116 HG2 ARG 18 HG2 ARG 18 -4.121 -8.638 -7.284 117 HG3 ARG 18 HG3 ARG 18 -3.452 -7.040 -6.943 118 HD2 ARG 18 HD2 ARG 18 -3.152 -8.629 -9.485 119 HD3 ARG 18 HD3 ARG 18 -4.120 -7.175 -9.251 120 HE ARG 18 HE ARG 18 -1.331 -6.812 -8.646 121 HH11 ARG 18 HH11 ARG 18 -3.741 -6.760 -11.188 122 HH12 ARG 18 HH12 ARG 18 -2.828 -5.708 -12.210 123 HH21 ARG 18 HH21 ARG 18 -0.110 -5.431 -9.997 124 HH22 ARG 18 HH22 ARG 18 -0.749 -4.946 -11.533 125 H VAL 19 H VAL 19 -1.539 -10.472 -3.553 126 HA VAL 19 HA VAL 19 1.347 -10.548 -4.135 127 HB VAL 19 HB VAL 19 1.176 -9.226 -2.160 128 HG11 VAL 19 HG11 VAL 19 -0.665 -11.341 -1.071 129 HG12 VAL 19 HG12 VAL 19 -1.104 -9.687 -1.516 130 HG13 VAL 19 HG13 VAL 19 -0.021 -9.984 -0.149 131 HG21 VAL 19 HG21 VAL 19 2.876 -11.025 -2.122 132 HG22 VAL 19 HG22 VAL 19 1.735 -12.033 -1.234 133 HG23 VAL 19 HG23 VAL 19 2.328 -10.536 -0.520 134 H PHE 20 H PHE 20 2.272 -12.511 -4.262 135 HA PHE 20 HA PHE 20 0.545 -14.778 -3.990 136 HB2 PHE 20 HB2 PHE 20 3.430 -14.610 -4.812 137 HB3 PHE 20 HB3 PHE 20 2.512 -16.111 -4.726 138 HD1 PHE 20 HD1 PHE 20 3.344 -13.333 -6.608 139 HD2 PHE 20 HD2 PHE 20 0.401 -16.291 -6.149 140 HE1 PHE 20 HE1 PHE 20 2.558 -12.866 -8.921 141 HE2 PHE 20 HE2 PHE 20 -0.422 -15.874 -8.432 142 HZ PHE 20 HZ PHE 20 0.658 -14.149 -9.825 143 H ASN 21 H ASN 21 0.298 -15.835 -2.296 144 HA ASN 21 HA ASN 21 2.242 -15.598 -0.115 145 HB2 ASN 21 HB2 ASN 21 -0.728 -16.089 -0.092 146 HB3 ASN 21 HB3 ASN 21 0.276 -16.430 1.312 147 HD21 ASN 21 HD21 ASN 21 2.068 -14.224 0.949 148 HD22 ASN 21 HD22 ASN 21 1.186 -12.788 1.338 149 H HIS 22 H HIS 22 3.417 -17.256 0.331 150 HA HIS 22 HA HIS 22 2.374 -19.956 -0.113 151 HB2 HIS 22 HB2 HIS 22 3.800 -19.161 -2.057 152 HB3 HIS 22 HB3 HIS 22 5.158 -19.148 -0.938 153 HD2 HIS 22 HD2 HIS 22 5.781 -21.789 0.086 154 HE1 HIS 22 HE1 HIS 22 3.970 -23.727 -3.222 155 HE2 HIS 22 HE2 HIS 22 5.656 -23.933 -1.371 156 H ASP 23 H ASP 23 2.530 -21.011 1.692 157 HA ASP 23 HA ASP 23 3.206 -21.794 3.694 158 HB2 ASP 23 HB2 ASP 23 5.403 -22.135 2.523 159 HB3 ASP 23 HB3 ASP 23 5.907 -20.547 3.085 160 H GLY 24 H GLY 24 2.244 -18.984 3.172 161 HA2 GLY 24 HA2 GLY 24 1.331 -17.572 4.821 162 HA3 GLY 24 HA3 GLY 24 2.581 -18.099 5.933 163 H GLU 25 H GLU 25 4.164 -17.414 3.122 164 HA GLU 25 HA GLU 25 4.827 -14.754 4.151 165 HB2 GLU 25 HB2 GLU 25 6.382 -16.806 2.666 166 HB3 GLU 25 HB3 GLU 25 6.824 -15.117 2.480 167 HG2 GLU 25 HG2 GLU 25 8.183 -16.067 4.163 168 HG3 GLU 25 HG3 GLU 25 7.048 -14.963 4.932 169 H ALA 26 H ALA 26 5.271 -13.036 2.736 170 HA ALA 26 HA ALA 26 3.619 -13.022 0.303 171 HB1 ALA 26 HB1 ALA 26 4.687 -10.842 2.090 172 HB2 ALA 26 HB2 ALA 26 3.005 -11.324 1.867 173 HB3 ALA 26 HB3 ALA 26 3.877 -10.531 0.558 174 H TYR 27 H TYR 27 4.704 -13.213 -1.587 175 HA TYR 27 HA TYR 27 7.442 -12.139 -1.685 176 HB2 TYR 27 HB2 TYR 27 6.326 -14.457 -3.270 177 HB3 TYR 27 HB3 TYR 27 7.976 -13.850 -3.330 178 HD1 TYR 27 HD1 TYR 27 5.522 -15.687 -1.298 179 HD2 TYR 27 HD2 TYR 27 9.575 -14.448 -1.629 180 HE1 TYR 27 HE1 TYR 27 6.141 -17.277 0.458 181 HE2 TYR 27 HE2 TYR 27 10.208 -16.036 0.135 182 HH TYR 27 HH TYR 27 8.056 -18.460 1.269 183 H CYS 28 H CYS 28 8.089 -11.166 -3.685 184 HA CYS 28 HA CYS 28 6.124 -9.558 -4.897 185 HB2 CYS 28 HB2 CYS 28 7.905 -8.819 -6.374 186 HB3 CYS 28 HB3 CYS 28 8.523 -8.955 -4.731 187 H SER 29 H SER 29 7.429 -12.676 -5.656 188 HA SER 29 HA SER 29 5.595 -12.883 -7.904 189 HB2 SER 29 HB2 SER 29 7.376 -13.913 -9.274 190 HB3 SER 29 HB3 SER 29 7.688 -12.219 -8.896 191 HG SER 29 HG SER 29 9.250 -12.797 -7.476 192 H GLN 30 H GLN 30 5.707 -15.201 -8.768 193 HA GLN 30 HA GLN 30 5.140 -16.968 -6.590 194 HB2 GLN 30 HB2 GLN 30 5.364 -17.572 -9.528 195 HB3 GLN 30 HB3 GLN 30 4.603 -18.582 -8.310 196 HG2 GLN 30 HG2 GLN 30 2.692 -17.492 -8.472 197 HG3 GLN 30 HG3 GLN 30 3.490 -15.920 -8.387 198 HE21 GLN 30 HE21 GLN 30 5.202 -16.357 -10.643 199 HE22 GLN 30 HE22 GLN 30 4.209 -16.275 -12.052 200 H ALA 31 H ALA 31 7.778 -16.531 -8.896 201 HA ALA 31 HA ALA 31 9.119 -18.950 -8.521 202 HB1 ALA 31 HB1 ALA 31 10.333 -16.251 -9.134 203 HB2 ALA 31 HB2 ALA 31 9.698 -17.397 -10.316 204 HB3 ALA 31 HB3 ALA 31 11.117 -17.816 -9.363 205 H CYS 32 H CYS 32 9.349 -15.922 -6.708 206 HA CYS 32 HA CYS 32 11.384 -16.877 -4.947 207 HB2 CYS 32 HB2 CYS 32 9.453 -14.572 -4.763 208 HB3 CYS 32 HB3 CYS 32 10.552 -14.962 -3.446 209 H ALA 33 H ALA 33 7.854 -16.726 -4.737 210 HA ALA 33 HA ALA 33 7.528 -17.712 -2.158 211 HB1 ALA 33 HB1 ALA 33 5.282 -18.289 -2.831 212 HB2 ALA 33 HB2 ALA 33 5.728 -18.181 -4.532 213 HB3 ALA 33 HB3 ALA 33 5.731 -16.733 -3.523 214 H GLU 34 H GLU 34 8.126 -19.378 -5.157 215 HA GLU 34 HA GLU 34 7.732 -21.995 -3.977 216 HB2 GLU 34 HB2 GLU 34 8.377 -20.982 -6.719 217 HB3 GLU 34 HB3 GLU 34 8.518 -22.687 -6.326 218 HG2 GLU 34 HG2 GLU 34 5.986 -21.329 -5.637 219 HG3 GLU 34 HG3 GLU 34 6.321 -21.635 -7.342 220 H GLN 35 H GLN 35 10.123 -19.879 -3.662 221 HA GLN 35 HA GLN 35 12.303 -19.974 -3.063 222 HB2 GLN 35 HB2 GLN 35 11.865 -22.956 -2.815 223 HB3 GLN 35 HB3 GLN 35 13.154 -22.022 -2.070 224 HG2 GLN 35 HG2 GLN 35 11.475 -20.807 -0.742 225 HG3 GLN 35 HG3 GLN 35 10.216 -21.797 -1.468 226 HE21 GLN 35 HE21 GLN 35 9.565 -22.679 0.455 227 HE22 GLN 35 HE22 GLN 35 10.511 -23.828 1.330 228 H HIS 36 H HIS 36 11.514 -20.265 -5.849 229 HA HIS 36 HA HIS 36 12.422 -20.523 -7.909 230 HB2 HIS 36 HB2 HIS 36 15.073 -20.863 -6.494 231 HB3 HIS 36 HB3 HIS 36 14.822 -20.394 -8.176 232 HD1 HIS 36 HD1 HIS 36 14.576 -17.948 -8.633 233 HD2 HIS 36 HD2 HIS 36 14.211 -18.851 -4.603 234 HE1 HIS 36 HE1 HIS 36 14.566 -15.752 -7.456 235 HA PRO 37 HA PRO 37 12.520 -25.119 -7.440 236 HB2 PRO 37 HB2 PRO 37 10.311 -25.628 -8.911 237 HB3 PRO 37 HB3 PRO 37 10.230 -25.221 -7.193 238 HG2 PRO 37 HG2 PRO 37 9.757 -23.484 -9.576 239 HG3 PRO 37 HG3 PRO 37 8.853 -23.564 -8.056 240 HD2 PRO 37 HD2 PRO 37 10.713 -21.634 -8.598 241 HD3 PRO 37 HD3 PRO 37 10.348 -22.193 -6.955 242 H ASN 38 H ASN 38 11.709 -23.200 -10.334 243 HA ASN 38 HA ASN 38 12.967 -25.178 -12.065 244 HB2 ASN 38 HB2 ASN 38 11.606 -22.555 -12.710 245 HB3 ASN 38 HB3 ASN 38 12.262 -23.658 -13.909 246 HD21 ASN 38 HD21 ASN 38 11.412 -26.057 -12.494 247 HD22 ASN 38 HD22 ASN 38 9.699 -26.144 -12.706 248 H GLY 39 H GLY 39 14.149 -22.919 -10.127 249 HA2 GLY 39 HA2 GLY 39 16.215 -21.915 -10.008 250 HA3 GLY 39 HA3 GLY 39 16.627 -22.720 -11.513 251 H GLU 40 H GLU 40 13.884 -20.585 -11.132 252 HA GLU 40 HA GLU 40 15.225 -18.700 -12.927 253 HB2 GLU 40 HB2 GLU 40 13.020 -18.003 -13.672 254 HB3 GLU 40 HB3 GLU 40 13.206 -19.737 -13.852 255 HG2 GLU 40 HG2 GLU 40 11.928 -20.078 -11.802 256 HG3 GLU 40 HG3 GLU 40 11.701 -18.335 -11.675 257 HA PRO 41 HA PRO 41 15.042 -15.686 -9.660 258 HB2 PRO 41 HB2 PRO 41 15.494 -13.471 -11.153 259 HB3 PRO 41 HB3 PRO 41 16.767 -14.644 -10.792 260 HG2 PRO 41 HG2 PRO 41 15.126 -14.330 -13.274 261 HG3 PRO 41 HG3 PRO 41 16.860 -14.656 -13.113 262 HD2 PRO 41 HD2 PRO 41 15.018 -16.588 -13.662 263 HD3 PRO 41 HD3 PRO 41 16.530 -16.907 -12.789 264 H CYS 42 H CYS 42 14.027 -13.210 -9.626 265 HA CYS 42 HA CYS 42 11.197 -13.677 -10.062 266 HB2 CYS 42 HB2 CYS 42 10.812 -11.789 -8.601 267 HB3 CYS 42 HB3 CYS 42 12.031 -12.821 -7.863 268 HA PRO 43 HA PRO 43 10.815 -11.070 -13.626 269 HB2 PRO 43 HB2 PRO 43 8.275 -9.994 -12.606 270 HB3 PRO 43 HB3 PRO 43 8.566 -11.037 -14.000 271 HG2 PRO 43 HG2 PRO 43 7.362 -11.949 -11.774 272 HG3 PRO 43 HG3 PRO 43 8.434 -12.972 -12.746 273 HD2 PRO 43 HD2 PRO 43 9.006 -11.527 -10.184 274 HD3 PRO 43 HD3 PRO 43 9.447 -13.176 -10.674 275 H HIS 44 H HIS 44 12.374 -9.740 -11.612 276 HA HIS 44 HA HIS 44 11.600 -6.936 -12.083 277 HB2 HIS 44 HB2 HIS 44 12.565 -8.230 -9.536 278 HB3 HIS 44 HB3 HIS 44 12.730 -6.500 -9.815 279 HD2 HIS 44 HD2 HIS 44 10.523 -5.051 -9.228 280 HE1 HIS 44 HE1 HIS 44 7.817 -8.269 -8.695 281 HE2 HIS 44 HE2 HIS 44 8.250 -5.836 -8.268 282 HA PRO 45 HA PRO 45 15.786 -7.071 -13.737 283 HB2 PRO 45 HB2 PRO 45 15.943 -4.605 -14.718 284 HB3 PRO 45 HB3 PRO 45 14.822 -5.780 -15.421 285 HG2 PRO 45 HG2 PRO 45 14.260 -3.582 -13.451 286 HG3 PRO 45 HG3 PRO 45 13.369 -4.009 -14.926 287 HD2 PRO 45 HD2 PRO 45 12.603 -4.840 -12.425 288 HD3 PRO 45 HD3 PRO 45 12.271 -5.752 -13.908 289 H ASP 46 H ASP 46 15.308 -6.312 -10.816 290 HA ASP 46 HA ASP 46 17.328 -4.207 -10.507 291 HB2 ASP 46 HB2 ASP 46 15.160 -3.966 -9.301 292 HB3 ASP 46 HB3 ASP 46 15.556 -5.409 -8.375 293 H CYS 47 H CYS 47 16.713 -7.581 -9.654 294 HA CYS 47 HA CYS 47 19.532 -7.794 -8.901 295 HB2 CYS 47 HB2 CYS 47 19.015 -9.070 -6.919 296 HB3 CYS 47 HB3 CYS 47 18.188 -7.522 -6.834 297 H HIS 48 H HIS 48 19.306 -10.522 -8.049 298 HA HIS 48 HA HIS 48 18.278 -11.969 -10.328 299 HB2 HIS 48 HB2 HIS 48 20.458 -12.869 -11.021 300 HB3 HIS 48 HB3 HIS 48 20.411 -11.126 -11.207 301 HD1 HIS 48 HD1 HIS 48 22.363 -13.817 -9.677 302 HD2 HIS 48 HD2 HIS 48 21.900 -9.732 -9.101 303 HE1 HIS 48 HE1 HIS 48 24.348 -13.100 -8.317 304 HE2 HIS 48 HE2 HIS 48 23.927 -10.671 -7.812 305 H CYS 49 H CYS 49 17.551 -12.213 -7.660 306 HA CYS 49 HA CYS 49 19.053 -14.046 -6.168 307 HB2 CYS 49 HB2 CYS 49 16.917 -14.519 -4.955 308 HB3 CYS 49 HB3 CYS 49 17.338 -12.815 -5.060 309 H GLU 50 H GLU 50 19.479 -16.048 -6.396 310 HA GLU 50 HA GLU 50 17.799 -18.150 -7.062 311 HB2 GLU 50 HB2 GLU 50 18.464 -16.774 -9.368 312 HB3 GLU 50 HB3 GLU 50 19.679 -18.049 -9.327 313 HG2 GLU 50 HG2 GLU 50 16.727 -18.520 -9.122 314 HG3 GLU 50 HG3 GLU 50 17.628 -18.555 -10.636 315 H ARG 51 H ARG 51 21.118 -17.114 -7.873 316 HA ARG 51 HA ARG 51 22.231 -19.348 -6.468 317 HB2 ARG 51 HB2 ARG 51 23.325 -17.019 -7.997 318 HB3 ARG 51 HB3 ARG 51 24.369 -17.701 -6.771 319 HG2 ARG 51 HG2 ARG 51 23.157 -19.501 -8.818 320 HG3 ARG 51 HG3 ARG 51 24.519 -18.480 -9.262 321 HD2 ARG 51 HD2 ARG 51 25.677 -19.473 -7.168 322 HD3 ARG 51 HD3 ARG 51 24.413 -20.699 -7.223 323 HE ARG 51 HE ARG 51 26.238 -20.176 -9.475 324 HH11 ARG 51 HH11 ARG 51 24.546 -22.437 -7.378 325 HH12 ARG 51 HH12 ARG 51 25.191 -23.830 -8.161 326 HH21 ARG 51 HH21 ARG 51 27.091 -22.027 -10.506 327 HH22 ARG 51 HH22 ARG 51 26.634 -23.602 -9.956 328 H SER 52 H SER 52 22.604 -19.294 -4.262 329 HA SER 52 HA SER 52 23.182 -16.785 -2.947 330 HB2 SER 52 HB2 SER 52 21.304 -17.147 -1.272 331 HB3 SER 52 HB3 SER 52 20.813 -16.604 -2.875 332 HG SER 52 HG SER 52 20.610 -19.015 -3.264 Start of MODEL 4 1 HA ASN 1 HA ASN 1 6.141 -0.796 0.816 2 HB2 ASN 1 HB2 ASN 1 5.858 1.664 1.261 3 HB3 ASN 1 HB3 ASN 1 5.057 1.254 2.768 4 HD21 ASN 1 HD21 ASN 1 6.552 2.218 4.056 5 HD22 ASN 1 HD22 ASN 1 8.160 1.623 4.260 6 H GLU 2 H GLU 2 3.159 -1.406 2.126 7 HA GLU 2 HA GLU 2 3.794 -2.295 4.718 8 HB2 GLU 2 HB2 GLU 2 1.586 -3.452 4.612 9 HB3 GLU 2 HB3 GLU 2 1.534 -1.740 4.224 10 HG2 GLU 2 HG2 GLU 2 1.472 -2.298 1.834 11 HG3 GLU 2 HG3 GLU 2 1.479 -4.010 2.246 12 H LEU 3 H LEU 3 3.596 -4.056 1.649 13 HA LEU 3 HA LEU 3 4.445 -6.468 3.075 14 HB2 LEU 3 HB2 LEU 3 3.315 -6.151 0.303 15 HB3 LEU 3 HB3 LEU 3 3.890 -7.668 0.966 16 HG LEU 3 HG LEU 3 1.536 -6.061 1.951 17 HD11 LEU 3 HD11 LEU 3 0.247 -8.000 1.224 18 HD12 LEU 3 HD12 LEU 3 1.720 -8.749 0.608 19 HD13 LEU 3 HD13 LEU 3 1.118 -7.259 -0.118 20 HD21 LEU 3 HD21 LEU 3 1.156 -7.957 3.479 21 HD22 LEU 3 HD22 LEU 3 2.648 -7.092 3.838 22 HD23 LEU 3 HD23 LEU 3 2.708 -8.638 2.993 23 H ARG 4 H ARG 4 6.396 -7.198 2.957 24 HA ARG 4 HA ARG 4 8.180 -6.242 0.817 25 HB2 ARG 4 HB2 ARG 4 8.646 -5.404 3.158 26 HB3 ARG 4 HB3 ARG 4 8.931 -7.069 3.629 27 HG2 ARG 4 HG2 ARG 4 10.523 -6.235 1.339 28 HG3 ARG 4 HG3 ARG 4 10.826 -5.283 2.793 29 HD2 ARG 4 HD2 ARG 4 10.952 -8.285 2.549 30 HD3 ARG 4 HD3 ARG 4 12.324 -7.191 2.697 31 HE ARG 4 HE ARG 4 10.629 -6.795 4.891 32 HH11 ARG 4 HH11 ARG 4 12.719 -9.293 3.590 33 HH12 ARG 4 HH12 ARG 4 13.107 -9.953 5.142 34 HH21 ARG 4 HH21 ARG 4 11.114 -7.686 6.933 35 HH22 ARG 4 HH22 ARG 4 12.187 -9.044 7.043 36 H CYS 5 H CYS 5 9.350 -7.801 -0.270 37 HA CYS 5 HA CYS 5 8.325 -10.360 -0.497 38 HB2 CYS 5 HB2 CYS 5 9.862 -9.117 -2.105 39 HB3 CYS 5 HB3 CYS 5 11.196 -9.697 -1.118 40 H GLY 6 H GLY 6 8.584 -12.239 0.492 41 HA2 GLY 6 HA2 GLY 6 9.950 -12.359 2.994 42 HA3 GLY 6 HA3 GLY 6 9.127 -13.690 2.193 43 H CYS 7 H CYS 7 11.086 -12.707 -0.143 44 HA CYS 7 HA CYS 7 13.005 -14.762 0.318 45 HB2 CYS 7 HB2 CYS 7 12.162 -14.210 -1.944 46 HB3 CYS 7 HB3 CYS 7 12.907 -12.626 -1.826 47 HA PRO 8 HA PRO 8 15.593 -12.153 2.810 48 HB2 PRO 8 HB2 PRO 8 17.692 -13.857 3.048 49 HB3 PRO 8 HB3 PRO 8 16.173 -14.073 3.926 50 HG2 PRO 8 HG2 PRO 8 17.108 -15.396 1.408 51 HG3 PRO 8 HG3 PRO 8 16.304 -16.115 2.815 52 HD2 PRO 8 HD2 PRO 8 14.979 -15.511 0.543 53 HD3 PRO 8 HD3 PRO 8 14.221 -15.405 2.145 54 H ASP 9 H ASP 9 16.554 -13.442 -0.265 55 HA ASP 9 HA ASP 9 18.900 -11.684 -0.348 56 HB2 ASP 9 HB2 ASP 9 18.084 -14.028 -2.064 57 HB3 ASP 9 HB3 ASP 9 19.429 -12.969 -2.469 58 H CYS 10 H CYS 10 15.765 -11.389 -1.006 59 HA CYS 10 HA CYS 10 16.266 -9.724 -3.366 60 HB2 CYS 10 HB2 CYS 10 15.172 -11.649 -4.192 61 HB3 CYS 10 HB3 CYS 10 14.020 -11.646 -2.867 62 H HIS 11 H HIS 11 15.469 -7.710 -3.283 63 HA HIS 11 HA HIS 11 13.694 -7.077 -1.029 64 HB2 HIS 11 HB2 HIS 11 15.706 -5.254 -2.365 65 HB3 HIS 11 HB3 HIS 11 14.662 -4.823 -1.016 66 HD2 HIS 11 HD2 HIS 11 15.231 -6.625 1.327 67 HE1 HIS 11 HE1 HIS 11 19.312 -6.884 0.204 68 HE2 HIS 11 HE2 HIS 11 17.598 -7.462 1.948 69 H CYS 12 H CYS 12 11.710 -7.118 -1.922 70 HA CYS 12 HA CYS 12 11.147 -5.125 -3.979 71 HB2 CYS 12 HB2 CYS 12 10.354 -8.041 -4.134 72 HB3 CYS 12 HB3 CYS 12 9.544 -6.787 -5.061 73 H LYS 13 H LYS 13 9.199 -4.110 -3.741 74 HA LYS 13 HA LYS 13 7.736 -4.644 -1.283 75 HB2 LYS 13 HB2 LYS 13 8.399 -2.306 -2.274 76 HB3 LYS 13 HB3 LYS 13 6.999 -2.533 -3.305 77 HG2 LYS 13 HG2 LYS 13 6.896 -2.584 -0.286 78 HG3 LYS 13 HG3 LYS 13 6.599 -1.148 -1.258 79 HD2 LYS 13 HD2 LYS 13 4.994 -3.714 -1.375 80 HD3 LYS 13 HD3 LYS 13 4.505 -2.242 -0.535 81 HE2 LYS 13 HE2 LYS 13 4.521 -1.031 -2.681 82 HE3 LYS 13 HE3 LYS 13 4.981 -2.520 -3.508 83 HZ1 LYS 13 HZ1 LYS 13 2.436 -1.921 -2.130 84 HZ2 LYS 13 HZ2 LYS 13 2.881 -3.484 -2.581 85 HZ3 LYS 13 HZ3 LYS 13 2.664 -2.293 -3.767 86 H VAL 14 H VAL 14 6.008 -5.896 -1.256 87 HA VAL 14 HA VAL 14 4.894 -6.789 -3.806 88 HB VAL 14 HB VAL 14 4.174 -7.878 -1.095 89 HG11 VAL 14 HG11 VAL 14 3.750 -9.918 -2.382 90 HG12 VAL 14 HG12 VAL 14 4.152 -9.050 -3.863 91 HG13 VAL 14 HG13 VAL 14 2.753 -8.562 -2.904 92 HG21 VAL 14 HG21 VAL 14 6.510 -8.714 -2.815 93 HG22 VAL 14 HG22 VAL 14 5.933 -9.569 -1.384 94 HG23 VAL 14 HG23 VAL 14 6.604 -7.945 -1.230 95 H ASP 15 H ASP 15 2.713 -6.758 -4.258 96 HA ASP 15 HA ASP 15 1.265 -4.640 -2.913 97 HB2 ASP 15 HB2 ASP 15 0.735 -6.147 -5.468 98 HB3 ASP 15 HB3 ASP 15 -0.299 -4.889 -4.814 99 HA PRO 16 HA PRO 16 -1.065 -7.684 -0.735 100 HB2 PRO 16 HB2 PRO 16 -2.876 -6.085 0.418 101 HB3 PRO 16 HB3 PRO 16 -1.168 -6.019 0.870 102 HG2 PRO 16 HG2 PRO 16 -2.731 -4.188 -0.900 103 HG3 PRO 16 HG3 PRO 16 -1.479 -3.798 0.291 104 HD2 PRO 16 HD2 PRO 16 -1.069 -3.976 -2.446 105 HD3 PRO 16 HD3 PRO 16 0.208 -4.122 -1.221 106 H GLU 17 H GLU 17 -2.101 -6.114 -3.429 107 HA GLU 17 HA GLU 17 -4.860 -7.031 -3.342 108 HB2 GLU 17 HB2 GLU 17 -3.441 -5.548 -5.544 109 HB3 GLU 17 HB3 GLU 17 -5.174 -5.647 -5.252 110 HG2 GLU 17 HG2 GLU 17 -5.133 -4.098 -3.590 111 HG3 GLU 17 HG3 GLU 17 -3.498 -4.519 -3.089 112 H ARG 18 H ARG 18 -1.805 -7.604 -4.954 113 HA ARG 18 HA ARG 18 -2.855 -10.120 -5.992 114 HB2 ARG 18 HB2 ARG 18 -1.120 -8.264 -7.643 115 HB3 ARG 18 HB3 ARG 18 -1.747 -9.826 -8.142 116 HG2 ARG 18 HG2 ARG 18 -4.047 -8.886 -7.957 117 HG3 ARG 18 HG3 ARG 18 -3.322 -7.313 -7.630 118 HD2 ARG 18 HD2 ARG 18 -2.149 -7.445 -9.798 119 HD3 ARG 18 HD3 ARG 18 -2.960 -8.973 -10.121 120 HE ARG 18 HE ARG 18 -4.835 -6.928 -9.527 121 HH11 ARG 18 HH11 ARG 18 -2.755 -8.143 -12.078 122 HH12 ARG 18 HH12 ARG 18 -3.680 -7.434 -13.355 123 HH21 ARG 18 HH21 ARG 18 -6.073 -5.985 -11.218 124 HH22 ARG 18 HH22 ARG 18 -5.572 -6.195 -12.862 125 H VAL 19 H VAL 19 -1.704 -10.793 -4.030 126 HA VAL 19 HA VAL 19 1.201 -10.933 -4.474 127 HB VAL 19 HB VAL 19 0.875 -9.689 -2.455 128 HG11 VAL 19 HG11 VAL 19 -0.948 -11.905 -1.549 129 HG12 VAL 19 HG12 VAL 19 -1.419 -10.247 -1.945 130 HG13 VAL 19 HG13 VAL 19 -0.385 -10.568 -0.547 131 HG21 VAL 19 HG21 VAL 19 2.624 -11.438 -2.418 132 HG22 VAL 19 HG22 VAL 19 1.474 -12.523 -1.640 133 HG23 VAL 19 HG23 VAL 19 1.987 -11.049 -0.821 134 H PHE 20 H PHE 20 2.186 -12.841 -4.484 135 HA PHE 20 HA PHE 20 0.515 -15.200 -4.432 136 HB2 PHE 20 HB2 PHE 20 3.484 -14.971 -4.971 137 HB3 PHE 20 HB3 PHE 20 2.460 -16.366 -5.303 138 HD1 PHE 20 HD1 PHE 20 3.171 -12.914 -6.234 139 HD2 PHE 20 HD2 PHE 20 1.184 -16.495 -7.291 140 HE1 PHE 20 HE1 PHE 20 2.723 -11.984 -8.479 141 HE2 PHE 20 HE2 PHE 20 0.722 -15.598 -9.530 142 HZ PHE 20 HZ PHE 20 1.489 -13.333 -10.130 143 H ASN 21 H ASN 21 0.107 -15.952 -2.523 144 HA ASN 21 HA ASN 21 2.040 -15.625 -0.369 145 HB2 ASN 21 HB2 ASN 21 -0.422 -15.050 -0.108 146 HB3 ASN 21 HB3 ASN 21 -0.733 -16.783 -0.150 147 HD21 ASN 21 HD21 ASN 21 0.416 -14.134 1.696 148 HD22 ASN 21 HD22 ASN 21 0.669 -14.995 3.171 149 H HIS 22 H HIS 22 3.191 -17.234 0.426 150 HA HIS 22 HA HIS 22 2.405 -19.990 -0.130 151 HB2 HIS 22 HB2 HIS 22 3.926 -19.154 -1.945 152 HB3 HIS 22 HB3 HIS 22 5.183 -18.965 -0.732 153 HD2 HIS 22 HD2 HIS 22 5.758 -21.606 0.553 154 HE1 HIS 22 HE1 HIS 22 4.892 -23.619 -3.077 155 HE2 HIS 22 HE2 HIS 22 6.102 -23.736 -0.874 156 H ASP 23 H ASP 23 2.412 -20.983 1.731 157 HA ASP 23 HA ASP 23 2.927 -21.693 3.817 158 HB2 ASP 23 HB2 ASP 23 5.214 -22.005 2.728 159 HB3 ASP 23 HB3 ASP 23 5.672 -20.467 3.448 160 H GLY 24 H GLY 24 2.039 -18.873 3.188 161 HA2 GLY 24 HA2 GLY 24 1.097 -17.400 4.774 162 HA3 GLY 24 HA3 GLY 24 2.330 -17.886 5.924 163 H GLU 25 H GLU 25 3.989 -17.375 3.132 164 HA GLU 25 HA GLU 25 4.661 -14.664 4.012 165 HB2 GLU 25 HB2 GLU 25 6.194 -16.802 2.621 166 HB3 GLU 25 HB3 GLU 25 6.657 -15.127 2.373 167 HG2 GLU 25 HG2 GLU 25 7.982 -16.100 4.113 168 HG3 GLU 25 HG3 GLU 25 6.924 -14.858 4.781 169 H ALA 26 H ALA 26 5.076 -13.019 2.546 170 HA ALA 26 HA ALA 26 3.489 -13.157 0.075 171 HB1 ALA 26 HB1 ALA 26 4.306 -10.870 1.861 172 HB2 ALA 26 HB2 ALA 26 2.675 -11.485 1.578 173 HB3 ALA 26 HB3 ALA 26 3.541 -10.649 0.289 174 H TYR 27 H TYR 27 4.671 -13.315 -1.745 175 HA TYR 27 HA TYR 27 7.368 -12.123 -1.756 176 HB2 TYR 27 HB2 TYR 27 6.361 -14.499 -3.323 177 HB3 TYR 27 HB3 TYR 27 7.974 -13.810 -3.430 178 HD1 TYR 27 HD1 TYR 27 5.659 -15.734 -1.308 179 HD2 TYR 27 HD2 TYR 27 9.635 -14.305 -1.768 180 HE1 TYR 27 HE1 TYR 27 6.406 -17.279 0.442 181 HE2 TYR 27 HE2 TYR 27 10.398 -15.845 -0.013 182 HH TYR 27 HH TYR 27 9.565 -17.116 1.820 183 H CYS 28 H CYS 28 8.084 -11.271 -3.859 184 HA CYS 28 HA CYS 28 6.097 -9.627 -5.018 185 HB2 CYS 28 HB2 CYS 28 7.858 -8.940 -6.604 186 HB3 CYS 28 HB3 CYS 28 8.429 -8.923 -4.942 187 H SER 29 H SER 29 7.445 -12.705 -5.911 188 HA SER 29 HA SER 29 5.336 -13.016 -7.884 189 HB2 SER 29 HB2 SER 29 7.255 -12.230 -9.191 190 HB3 SER 29 HB3 SER 29 8.263 -13.497 -8.495 191 HG SER 29 HG SER 29 6.633 -13.622 -10.621 192 H GLN 30 H GLN 30 5.097 -15.303 -8.541 193 HA GLN 30 HA GLN 30 5.115 -16.976 -6.298 194 HB2 GLN 30 HB2 GLN 30 4.401 -18.793 -7.860 195 HB3 GLN 30 HB3 GLN 30 3.417 -17.344 -7.938 196 HG2 GLN 30 HG2 GLN 30 5.629 -17.538 -9.894 197 HG3 GLN 30 HG3 GLN 30 4.297 -18.673 -10.094 198 HE21 GLN 30 HE21 GLN 30 5.301 -15.361 -10.281 199 HE22 GLN 30 HE22 GLN 30 3.867 -14.753 -11.024 200 H ALA 31 H ALA 31 7.552 -16.386 -8.666 201 HA ALA 31 HA ALA 31 8.965 -18.818 -8.518 202 HB1 ALA 31 HB1 ALA 31 10.149 -16.080 -8.990 203 HB2 ALA 31 HB2 ALA 31 9.407 -17.091 -10.232 204 HB3 ALA 31 HB3 ALA 31 10.871 -17.633 -9.420 205 H CYS 32 H CYS 32 9.377 -15.818 -6.612 206 HA CYS 32 HA CYS 32 11.403 -16.878 -4.943 207 HB2 CYS 32 HB2 CYS 32 9.490 -14.568 -4.589 208 HB3 CYS 32 HB3 CYS 32 10.647 -15.016 -3.344 209 H ALA 33 H ALA 33 7.884 -16.809 -4.721 210 HA ALA 33 HA ALA 33 7.568 -17.776 -2.126 211 HB1 ALA 33 HB1 ALA 33 5.349 -18.420 -2.791 212 HB2 ALA 33 HB2 ALA 33 5.786 -18.318 -4.496 213 HB3 ALA 33 HB3 ALA 33 5.748 -16.858 -3.502 214 H GLU 34 H GLU 34 7.925 -19.501 -5.164 215 HA GLU 34 HA GLU 34 7.752 -22.098 -3.960 216 HB2 GLU 34 HB2 GLU 34 8.281 -21.019 -6.692 217 HB3 GLU 34 HB3 GLU 34 8.678 -22.691 -6.340 218 HG2 GLU 34 HG2 GLU 34 5.983 -21.753 -5.602 219 HG3 GLU 34 HG3 GLU 34 6.343 -21.961 -7.315 220 H GLN 35 H GLN 35 10.052 -19.881 -3.617 221 HA GLN 35 HA GLN 35 12.225 -19.883 -2.974 222 HB2 GLN 35 HB2 GLN 35 11.910 -22.885 -2.788 223 HB3 GLN 35 HB3 GLN 35 13.176 -21.925 -2.036 224 HG2 GLN 35 HG2 GLN 35 11.429 -20.770 -0.706 225 HG3 GLN 35 HG3 GLN 35 10.241 -21.866 -1.398 226 HE21 GLN 35 HE21 GLN 35 9.718 -22.698 0.616 227 HE22 GLN 35 HE22 GLN 35 10.762 -23.776 1.468 228 H HIS 36 H HIS 36 11.503 -20.110 -5.769 229 HA HIS 36 HA HIS 36 12.413 -20.397 -7.830 230 HB2 HIS 36 HB2 HIS 36 15.086 -20.702 -6.438 231 HB3 HIS 36 HB3 HIS 36 14.799 -20.186 -8.096 232 HD1 HIS 36 HD1 HIS 36 14.490 -17.733 -8.490 233 HD2 HIS 36 HD2 HIS 36 14.298 -18.749 -4.468 234 HE1 HIS 36 HE1 HIS 36 14.497 -15.565 -7.255 235 HA PRO 37 HA PRO 37 12.396 -24.953 -6.994 236 HB2 PRO 37 HB2 PRO 37 10.396 -25.517 -8.756 237 HB3 PRO 37 HB3 PRO 37 10.095 -25.013 -7.088 238 HG2 PRO 37 HG2 PRO 37 10.062 -23.396 -9.597 239 HG3 PRO 37 HG3 PRO 37 8.900 -23.385 -8.254 240 HD2 PRO 37 HD2 PRO 37 10.802 -21.485 -8.487 241 HD3 PRO 37 HD3 PRO 37 10.295 -22.080 -6.901 242 H ASN 38 H ASN 38 11.870 -23.493 -10.192 243 HA ASN 38 HA ASN 38 13.402 -25.607 -11.443 244 HB2 ASN 38 HB2 ASN 38 11.318 -23.928 -12.259 245 HB3 ASN 38 HB3 ASN 38 12.712 -23.480 -13.240 246 HD21 ASN 38 HD21 ASN 38 10.668 -26.103 -12.239 247 HD22 ASN 38 HD22 ASN 38 10.970 -27.118 -13.596 248 H GLY 39 H GLY 39 13.831 -22.378 -10.362 249 HA2 GLY 39 HA2 GLY 39 16.102 -21.656 -9.930 250 HA3 GLY 39 HA3 GLY 39 16.587 -22.489 -11.396 251 H GLU 40 H GLU 40 13.825 -20.318 -11.033 252 HA GLU 40 HA GLU 40 15.206 -18.496 -12.870 253 HB2 GLU 40 HB2 GLU 40 13.085 -17.783 -13.698 254 HB3 GLU 40 HB3 GLU 40 13.090 -19.538 -13.689 255 HG2 GLU 40 HG2 GLU 40 11.862 -19.422 -11.519 256 HG3 GLU 40 HG3 GLU 40 11.700 -17.695 -11.796 257 HA PRO 41 HA PRO 41 15.115 -15.424 -9.637 258 HB2 PRO 41 HB2 PRO 41 15.619 -13.241 -11.151 259 HB3 PRO 41 HB3 PRO 41 16.864 -14.447 -10.804 260 HG2 PRO 41 HG2 PRO 41 15.185 -14.112 -13.261 261 HG3 PRO 41 HG3 PRO 41 16.918 -14.458 -13.131 262 HD2 PRO 41 HD2 PRO 41 15.056 -16.378 -13.635 263 HD3 PRO 41 HD3 PRO 41 16.569 -16.704 -12.765 264 H CYS 42 H CYS 42 14.081 -13.049 -9.436 265 HA CYS 42 HA CYS 42 11.277 -13.387 -10.020 266 HB2 CYS 42 HB2 CYS 42 10.920 -11.478 -8.565 267 HB3 CYS 42 HB3 CYS 42 12.067 -12.563 -7.795 268 HA PRO 43 HA PRO 43 11.179 -10.788 -13.587 269 HB2 PRO 43 HB2 PRO 43 8.699 -9.733 -13.473 270 HB3 PRO 43 HB3 PRO 43 8.974 -11.454 -13.777 271 HG2 PRO 43 HG2 PRO 43 8.237 -10.076 -11.219 272 HG3 PRO 43 HG3 PRO 43 7.578 -11.570 -11.912 273 HD2 PRO 43 HD2 PRO 43 9.451 -11.555 -9.943 274 HD3 PRO 43 HD3 PRO 43 9.337 -12.845 -11.156 275 H HIS 44 H HIS 44 12.663 -9.472 -11.666 276 HA HIS 44 HA HIS 44 11.857 -6.685 -12.090 277 HB2 HIS 44 HB2 HIS 44 12.712 -7.923 -9.466 278 HB3 HIS 44 HB3 HIS 44 12.784 -6.192 -9.764 279 HD2 HIS 44 HD2 HIS 44 10.366 -4.864 -9.569 280 HE1 HIS 44 HE1 HIS 44 8.015 -8.266 -8.643 281 HE2 HIS 44 HE2 HIS 44 8.166 -5.761 -8.556 282 HA PRO 45 HA PRO 45 16.151 -6.513 -13.381 283 HB2 PRO 45 HB2 PRO 45 16.337 -3.863 -13.784 284 HB3 PRO 45 HB3 PRO 45 15.394 -4.897 -14.866 285 HG2 PRO 45 HG2 PRO 45 14.446 -3.184 -12.597 286 HG3 PRO 45 HG3 PRO 45 13.784 -3.325 -14.237 287 HD2 PRO 45 HD2 PRO 45 12.723 -4.647 -12.120 288 HD3 PRO 45 HD3 PRO 45 12.712 -5.310 -13.768 289 H ASP 46 H ASP 46 14.818 -5.388 -10.549 290 HA ASP 46 HA ASP 46 16.808 -3.758 -9.431 291 HB2 ASP 46 HB2 ASP 46 14.847 -5.616 -8.076 292 HB3 ASP 46 HB3 ASP 46 15.801 -4.385 -7.251 293 H CYS 47 H CYS 47 16.438 -7.225 -9.625 294 HA CYS 47 HA CYS 47 19.203 -7.699 -9.135 295 HB2 CYS 47 HB2 CYS 47 19.050 -8.898 -7.077 296 HB3 CYS 47 HB3 CYS 47 18.278 -7.341 -6.797 297 H HIS 48 H HIS 48 19.297 -10.254 -8.649 298 HA HIS 48 HA HIS 48 17.166 -11.622 -9.980 299 HB2 HIS 48 HB2 HIS 48 18.841 -12.853 -11.487 300 HB3 HIS 48 HB3 HIS 48 18.329 -11.253 -11.976 301 HD1 HIS 48 HD1 HIS 48 20.157 -9.742 -12.638 302 HD2 HIS 48 HD2 HIS 48 21.510 -12.793 -10.168 303 HE1 HIS 48 HE1 HIS 48 22.658 -9.502 -12.576 304 HE2 HIS 48 HE2 HIS 48 23.426 -11.224 -10.912 305 H CYS 49 H CYS 49 17.079 -12.141 -7.716 306 HA CYS 49 HA CYS 49 19.017 -13.722 -6.450 307 HB2 CYS 49 HB2 CYS 49 17.002 -14.417 -5.029 308 HB3 CYS 49 HB3 CYS 49 17.407 -12.706 -5.060 309 H GLU 50 H GLU 50 19.505 -15.800 -6.640 310 HA GLU 50 HA GLU 50 17.758 -17.879 -7.278 311 HB2 GLU 50 HB2 GLU 50 18.232 -16.415 -9.522 312 HB3 GLU 50 HB3 GLU 50 19.524 -17.609 -9.631 313 HG2 GLU 50 HG2 GLU 50 16.598 -18.193 -9.357 314 HG3 GLU 50 HG3 GLU 50 17.530 -18.255 -10.855 315 H ARG 51 H ARG 51 21.076 -16.852 -8.097 316 HA ARG 51 HA ARG 51 22.109 -19.343 -7.116 317 HB2 ARG 51 HB2 ARG 51 23.149 -17.089 -8.660 318 HB3 ARG 51 HB3 ARG 51 24.296 -17.658 -7.457 319 HG2 ARG 51 HG2 ARG 51 22.948 -19.495 -9.410 320 HG3 ARG 51 HG3 ARG 51 24.470 -18.675 -9.763 321 HD2 ARG 51 HD2 ARG 51 25.569 -19.786 -7.941 322 HD3 ARG 51 HD3 ARG 51 24.042 -20.442 -7.351 323 HE ARG 51 HE ARG 51 24.153 -21.486 -9.797 324 HH11 ARG 51 HH11 ARG 51 26.615 -21.307 -7.302 325 HH12 ARG 51 HH12 ARG 51 27.383 -22.781 -7.773 326 HH21 ARG 51 HH21 ARG 51 25.178 -23.455 -10.422 327 HH22 ARG 51 HH22 ARG 51 26.569 -24.001 -9.553 328 H SER 52 H SER 52 22.709 -19.712 -5.068 329 HA SER 52 HA SER 52 23.108 -19.441 -2.857 330 HB2 SER 52 HB2 SER 52 24.453 -16.898 -3.797 331 HB3 SER 52 HB3 SER 52 24.652 -17.617 -2.200 332 HG SER 52 HG SER 52 25.231 -19.587 -3.585 Start of MODEL 5 1 HA ASN 1 HA ASN 1 7.125 -0.876 1.517 2 HB2 ASN 1 HB2 ASN 1 7.680 0.353 3.637 3 HB3 ASN 1 HB3 ASN 1 6.289 -0.410 4.393 4 HD21 ASN 1 HD21 ASN 1 9.078 -0.553 5.108 5 HD22 ASN 1 HD22 ASN 1 9.517 -2.225 5.069 6 H GLU 2 H GLU 2 4.518 -1.032 3.928 7 HA GLU 2 HA GLU 2 2.994 -2.591 4.426 8 HB2 GLU 2 HB2 GLU 2 2.738 -2.361 1.458 9 HB3 GLU 2 HB3 GLU 2 1.738 -3.507 2.337 10 HG2 GLU 2 HG2 GLU 2 0.514 -1.464 2.022 11 HG3 GLU 2 HG3 GLU 2 0.882 -1.658 3.731 12 H LEU 3 H LEU 3 3.775 -4.344 1.470 13 HA LEU 3 HA LEU 3 4.370 -6.664 3.168 14 HB2 LEU 3 HB2 LEU 3 3.517 -6.572 0.280 15 HB3 LEU 3 HB3 LEU 3 3.816 -8.030 1.204 16 HG LEU 3 HG LEU 3 1.606 -6.032 1.677 17 HD11 LEU 3 HD11 LEU 3 1.247 -7.432 -0.271 18 HD12 LEU 3 HD12 LEU 3 0.146 -7.880 1.032 19 HD13 LEU 3 HD13 LEU 3 1.561 -8.877 0.692 20 HD21 LEU 3 HD21 LEU 3 2.251 -8.590 3.144 21 HD22 LEU 3 HD22 LEU 3 0.811 -7.599 3.381 22 HD23 LEU 3 HD23 LEU 3 2.399 -6.955 3.790 23 H ARG 4 H ARG 4 6.192 -7.817 2.962 24 HA ARG 4 HA ARG 4 8.248 -6.794 1.103 25 HB2 ARG 4 HB2 ARG 4 8.414 -6.534 3.717 26 HB3 ARG 4 HB3 ARG 4 8.883 -8.223 3.645 27 HG2 ARG 4 HG2 ARG 4 10.921 -7.209 3.592 28 HG3 ARG 4 HG3 ARG 4 10.591 -7.362 1.865 29 HD2 ARG 4 HD2 ARG 4 9.708 -4.899 3.295 30 HD3 ARG 4 HD3 ARG 4 11.410 -5.089 2.909 31 HE ARG 4 HE ARG 4 9.745 -5.535 0.640 32 HH11 ARG 4 HH11 ARG 4 11.147 -3.033 2.668 33 HH12 ARG 4 HH12 ARG 4 11.217 -1.863 1.400 34 HH21 ARG 4 HH21 ARG 4 9.856 -3.951 -1.048 35 HH22 ARG 4 HH22 ARG 4 10.489 -2.381 -0.696 36 H CYS 5 H CYS 5 9.543 -8.376 0.061 37 HA CYS 5 HA CYS 5 8.315 -10.887 -0.397 38 HB2 CYS 5 HB2 CYS 5 9.840 -9.662 -2.014 39 HB3 CYS 5 HB3 CYS 5 11.188 -10.189 -1.009 40 H GLY 6 H GLY 6 8.695 -12.867 0.443 41 HA2 GLY 6 HA2 GLY 6 10.093 -12.977 2.966 42 HA3 GLY 6 HA3 GLY 6 9.165 -14.273 2.231 43 H CYS 7 H CYS 7 11.540 -12.826 0.222 44 HA CYS 7 HA CYS 7 13.238 -15.170 0.560 45 HB2 CYS 7 HB2 CYS 7 12.418 -14.797 -1.716 46 HB3 CYS 7 HB3 CYS 7 13.036 -13.156 -1.687 47 HA PRO 8 HA PRO 8 15.885 -12.855 3.131 48 HB2 PRO 8 HB2 PRO 8 17.896 -14.757 2.089 49 HB3 PRO 8 HB3 PRO 8 17.407 -14.394 3.741 50 HG2 PRO 8 HG2 PRO 8 16.686 -16.654 2.434 51 HG3 PRO 8 HG3 PRO 8 15.757 -15.929 3.754 52 HD2 PRO 8 HD2 PRO 8 15.173 -16.029 0.882 53 HD3 PRO 8 HD3 PRO 8 14.089 -15.748 2.254 54 H ASP 9 H ASP 9 17.072 -13.878 -0.053 55 HA ASP 9 HA ASP 9 19.105 -11.814 -0.078 56 HB2 ASP 9 HB2 ASP 9 18.263 -13.805 -2.181 57 HB3 ASP 9 HB3 ASP 9 19.607 -12.683 -2.360 58 H CYS 10 H CYS 10 15.994 -12.350 -1.498 59 HA CYS 10 HA CYS 10 16.301 -10.241 -3.416 60 HB2 CYS 10 HB2 CYS 10 15.104 -12.165 -4.089 61 HB3 CYS 10 HB3 CYS 10 14.045 -12.063 -2.692 62 H HIS 11 H HIS 11 15.731 -8.198 -3.193 63 HA HIS 11 HA HIS 11 14.051 -7.432 -0.897 64 HB2 HIS 11 HB2 HIS 11 16.146 -5.795 -2.342 65 HB3 HIS 11 HB3 HIS 11 15.143 -5.214 -1.021 66 HD2 HIS 11 HD2 HIS 11 15.679 -6.681 1.485 67 HE1 HIS 11 HE1 HIS 11 19.641 -7.578 0.275 68 HE2 HIS 11 HE2 HIS 11 18.067 -7.353 2.220 69 H CYS 12 H CYS 12 12.014 -7.318 -1.732 70 HA CYS 12 HA CYS 12 11.542 -5.311 -3.802 71 HB2 CYS 12 HB2 CYS 12 10.524 -8.158 -3.930 72 HB3 CYS 12 HB3 CYS 12 9.855 -6.850 -4.897 73 H LYS 13 H LYS 13 9.447 -4.359 -3.757 74 HA LYS 13 HA LYS 13 8.016 -4.705 -1.214 75 HB2 LYS 13 HB2 LYS 13 8.755 -2.392 -2.006 76 HB3 LYS 13 HB3 LYS 13 7.581 -2.546 -3.302 77 HG2 LYS 13 HG2 LYS 13 6.522 -2.976 -0.573 78 HG3 LYS 13 HG3 LYS 13 7.077 -1.342 -0.930 79 HD2 LYS 13 HD2 LYS 13 5.621 -1.313 -2.919 80 HD3 LYS 13 HD3 LYS 13 5.042 -2.925 -2.510 81 HE2 LYS 13 HE2 LYS 13 4.015 -2.126 -0.512 82 HE3 LYS 13 HE3 LYS 13 4.784 -0.548 -0.680 83 HZ1 LYS 13 HZ1 LYS 13 3.465 -0.085 -2.591 84 HZ2 LYS 13 HZ2 LYS 13 2.413 -0.599 -1.377 85 HZ3 LYS 13 HZ3 LYS 13 2.829 -1.648 -2.635 86 H VAL 14 H VAL 14 6.277 -5.905 -1.182 87 HA VAL 14 HA VAL 14 5.094 -6.701 -3.733 88 HB VAL 14 HB VAL 14 4.426 -7.868 -1.038 89 HG11 VAL 14 HG11 VAL 14 2.959 -8.422 -2.884 90 HG12 VAL 14 HG12 VAL 14 3.879 -9.832 -2.356 91 HG13 VAL 14 HG13 VAL 14 4.341 -8.979 -3.828 92 HG21 VAL 14 HG21 VAL 14 6.685 -8.701 -2.858 93 HG22 VAL 14 HG22 VAL 14 6.137 -9.583 -1.433 94 HG23 VAL 14 HG23 VAL 14 6.852 -7.981 -1.257 95 H ASP 15 H ASP 15 2.953 -6.378 -4.207 96 HA ASP 15 HA ASP 15 1.631 -4.421 -2.516 97 HB2 ASP 15 HB2 ASP 15 1.340 -5.135 -5.410 98 HB3 ASP 15 HB3 ASP 15 0.125 -4.194 -4.559 99 HA PRO 16 HA PRO 16 -1.104 -7.428 -0.825 100 HB2 PRO 16 HB2 PRO 16 -2.987 -5.142 -0.659 101 HB3 PRO 16 HB3 PRO 16 -2.404 -6.215 0.617 102 HG2 PRO 16 HG2 PRO 16 -1.506 -3.715 0.416 103 HG3 PRO 16 HG3 PRO 16 -0.427 -5.044 0.881 104 HD2 PRO 16 HD2 PRO 16 -0.678 -3.628 -1.733 105 HD3 PRO 16 HD3 PRO 16 0.769 -4.232 -0.897 106 H GLU 17 H GLU 17 -2.253 -5.248 -3.370 107 HA GLU 17 HA GLU 17 -4.704 -6.577 -3.806 108 HB2 GLU 17 HB2 GLU 17 -3.069 -4.746 -5.546 109 HB3 GLU 17 HB3 GLU 17 -4.609 -5.416 -6.059 110 HG2 GLU 17 HG2 GLU 17 -5.692 -4.343 -4.134 111 HG3 GLU 17 HG3 GLU 17 -4.142 -3.633 -3.682 112 H ARG 18 H ARG 18 -1.464 -7.070 -5.040 113 HA ARG 18 HA ARG 18 -2.428 -9.467 -6.411 114 HB2 ARG 18 HB2 ARG 18 -0.508 -7.514 -7.690 115 HB3 ARG 18 HB3 ARG 18 -1.133 -8.993 -8.402 116 HG2 ARG 18 HG2 ARG 18 -2.772 -6.566 -7.689 117 HG3 ARG 18 HG3 ARG 18 -2.211 -6.980 -9.312 118 HD2 ARG 18 HD2 ARG 18 -4.146 -8.539 -7.590 119 HD3 ARG 18 HD3 ARG 18 -4.519 -7.666 -9.074 120 HE ARG 18 HE ARG 18 -3.092 -10.218 -8.849 121 HH11 ARG 18 HH11 ARG 18 -4.425 -7.699 -10.909 122 HH12 ARG 18 HH12 ARG 18 -4.390 -8.679 -12.331 123 HH21 ARG 18 HH21 ARG 18 -3.051 -11.503 -10.733 124 HH22 ARG 18 HH22 ARG 18 -3.608 -10.853 -12.236 125 H VAL 19 H VAL 19 -1.491 -10.363 -4.443 126 HA VAL 19 HA VAL 19 1.422 -10.659 -4.702 127 HB VAL 19 HB VAL 19 1.127 -9.429 -2.682 128 HG11 VAL 19 HG11 VAL 19 -0.363 -10.152 -0.875 129 HG12 VAL 19 HG12 VAL 19 -0.985 -11.434 -1.916 130 HG13 VAL 19 HG13 VAL 19 -1.253 -9.740 -2.344 131 HG21 VAL 19 HG21 VAL 19 1.928 -10.962 -0.978 132 HG22 VAL 19 HG22 VAL 19 2.678 -11.333 -2.534 133 HG23 VAL 19 HG23 VAL 19 1.365 -12.336 -1.925 134 H PHE 20 H PHE 20 2.169 -12.674 -4.880 135 HA PHE 20 HA PHE 20 0.338 -14.863 -4.888 136 HB2 PHE 20 HB2 PHE 20 2.476 -14.559 -6.326 137 HB3 PHE 20 HB3 PHE 20 3.337 -15.114 -4.896 138 HD1 PHE 20 HD1 PHE 20 0.965 -16.012 -7.495 139 HD2 PHE 20 HD2 PHE 20 3.238 -17.408 -4.198 140 HE1 PHE 20 HE1 PHE 20 0.490 -18.343 -8.166 141 HE2 PHE 20 HE2 PHE 20 2.779 -19.737 -4.849 142 HZ PHE 20 HZ PHE 20 1.402 -20.208 -6.838 143 H ASN 21 H ASN 21 -0.404 -15.571 -3.015 144 HA ASN 21 HA ASN 21 1.216 -15.372 -0.623 145 HB2 ASN 21 HB2 ASN 21 -1.650 -16.224 -1.061 146 HB3 ASN 21 HB3 ASN 21 -0.857 -16.240 0.509 147 HD21 ASN 21 HD21 ASN 21 -0.320 -14.290 1.494 148 HD22 ASN 21 HD22 ASN 21 -1.037 -12.794 1.007 149 H HIS 22 H HIS 22 2.475 -16.927 0.007 150 HA HIS 22 HA HIS 22 1.722 -19.701 -0.591 151 HB2 HIS 22 HB2 HIS 22 3.430 -18.840 -2.216 152 HB3 HIS 22 HB3 HIS 22 4.530 -18.634 -0.862 153 HD2 HIS 22 HD2 HIS 22 5.084 -21.224 0.473 154 HE1 HIS 22 HE1 HIS 22 4.483 -23.362 -3.136 155 HE2 HIS 22 HE2 HIS 22 5.570 -23.383 -0.874 156 H ASP 23 H ASP 23 1.554 -20.755 1.205 157 HA ASP 23 HA ASP 23 1.828 -21.517 3.304 158 HB2 ASP 23 HB2 ASP 23 4.117 -21.979 2.333 159 HB3 ASP 23 HB3 ASP 23 4.668 -20.504 3.119 160 H GLY 24 H GLY 24 1.120 -18.644 2.821 161 HA2 GLY 24 HA2 GLY 24 0.194 -17.250 4.483 162 HA3 GLY 24 HA3 GLY 24 1.377 -17.859 5.623 163 H GLU 25 H GLU 25 3.210 -17.248 2.997 164 HA GLU 25 HA GLU 25 3.843 -14.582 4.030 165 HB2 GLU 25 HB2 GLU 25 5.472 -16.690 2.698 166 HB3 GLU 25 HB3 GLU 25 5.966 -15.011 2.548 167 HG2 GLU 25 HG2 GLU 25 7.163 -15.929 4.348 168 HG3 GLU 25 HG3 GLU 25 5.932 -14.876 5.038 169 H ALA 26 H ALA 26 4.739 -13.039 2.485 170 HA ALA 26 HA ALA 26 3.187 -13.015 -0.012 171 HB1 ALA 26 HB1 ALA 26 4.134 -10.771 1.771 172 HB2 ALA 26 HB2 ALA 26 2.465 -11.257 1.456 173 HB3 ALA 26 HB3 ALA 26 3.431 -10.525 0.176 174 H TYR 27 H TYR 27 4.454 -13.406 -1.735 175 HA TYR 27 HA TYR 27 7.208 -12.378 -1.660 176 HB2 TYR 27 HB2 TYR 27 6.120 -14.741 -3.197 177 HB3 TYR 27 HB3 TYR 27 7.782 -14.170 -3.234 178 HD1 TYR 27 HD1 TYR 27 5.227 -15.860 -1.189 179 HD2 TYR 27 HD2 TYR 27 9.311 -14.707 -1.456 180 HE1 TYR 27 HE1 TYR 27 5.765 -17.382 0.654 181 HE2 TYR 27 HE2 TYR 27 9.864 -16.222 0.399 182 HH TYR 27 HH TYR 27 8.714 -17.286 2.319 183 H CYS 28 H CYS 28 8.035 -11.509 -3.657 184 HA CYS 28 HA CYS 28 6.175 -9.919 -5.042 185 HB2 CYS 28 HB2 CYS 28 8.039 -9.215 -6.419 186 HB3 CYS 28 HB3 CYS 28 8.582 -9.338 -4.753 187 H SER 29 H SER 29 7.499 -13.079 -5.639 188 HA SER 29 HA SER 29 5.737 -13.354 -7.939 189 HB2 SER 29 HB2 SER 29 7.567 -14.500 -9.175 190 HB3 SER 29 HB3 SER 29 7.834 -12.774 -8.929 191 HG SER 29 HG SER 29 9.345 -13.206 -7.395 192 H GLN 30 H GLN 30 5.617 -15.653 -8.665 193 HA GLN 30 HA GLN 30 5.102 -17.332 -6.443 194 HB2 GLN 30 HB2 GLN 30 4.516 -19.040 -8.160 195 HB3 GLN 30 HB3 GLN 30 3.698 -17.505 -8.397 196 HG2 GLN 30 HG2 GLN 30 4.309 -18.051 -10.541 197 HG3 GLN 30 HG3 GLN 30 5.648 -17.020 -10.048 198 HE21 GLN 30 HE21 GLN 30 7.157 -17.878 -11.393 199 HE22 GLN 30 HE22 GLN 30 7.749 -19.499 -11.259 200 H ALA 31 H ALA 31 7.821 -16.926 -8.584 201 HA ALA 31 HA ALA 31 9.067 -19.406 -8.122 202 HB1 ALA 31 HB1 ALA 31 10.397 -16.776 -8.776 203 HB2 ALA 31 HB2 ALA 31 9.729 -17.912 -9.953 204 HB3 ALA 31 HB3 ALA 31 11.100 -18.386 -8.953 205 H CYS 32 H CYS 32 9.522 -16.242 -6.518 206 HA CYS 32 HA CYS 32 11.336 -17.208 -4.583 207 HB2 CYS 32 HB2 CYS 32 9.511 -14.816 -4.645 208 HB3 CYS 32 HB3 CYS 32 10.482 -15.187 -3.225 209 H ALA 33 H ALA 33 7.821 -16.926 -4.635 210 HA ALA 33 HA ALA 33 7.263 -17.696 -2.040 211 HB1 ALA 33 HB1 ALA 33 5.641 -16.817 -3.712 212 HB2 ALA 33 HB2 ALA 33 5.076 -18.206 -2.797 213 HB3 ALA 33 HB3 ALA 33 5.626 -18.416 -4.460 214 H GLU 34 H GLU 34 7.835 -19.677 -4.889 215 HA GLU 34 HA GLU 34 7.486 -22.103 -3.362 216 HB2 GLU 34 HB2 GLU 34 7.968 -21.474 -6.229 217 HB3 GLU 34 HB3 GLU 34 8.290 -23.096 -5.647 218 HG2 GLU 34 HG2 GLU 34 5.909 -22.988 -4.691 219 HG3 GLU 34 HG3 GLU 34 5.702 -21.612 -5.773 220 H GLN 35 H GLN 35 9.841 -20.044 -3.153 221 HA GLN 35 HA GLN 35 11.998 -20.137 -2.492 222 HB2 GLN 35 HB2 GLN 35 11.444 -23.088 -2.144 223 HB3 GLN 35 HB3 GLN 35 12.740 -22.172 -1.380 224 HG2 GLN 35 HG2 GLN 35 11.167 -20.891 -0.100 225 HG3 GLN 35 HG3 GLN 35 9.819 -21.588 -0.980 226 HE21 GLN 35 HE21 GLN 35 8.895 -22.276 0.945 227 HE22 GLN 35 HE22 GLN 35 9.492 -23.659 1.798 228 H HIS 36 H HIS 36 11.289 -20.491 -5.268 229 HA HIS 36 HA HIS 36 12.248 -20.777 -7.291 230 HB2 HIS 36 HB2 HIS 36 14.857 -21.259 -5.845 231 HB3 HIS 36 HB3 HIS 36 14.642 -20.722 -7.506 232 HD1 HIS 36 HD1 HIS 36 14.350 -18.224 -7.898 233 HD2 HIS 36 HD2 HIS 36 14.246 -19.300 -3.880 234 HE1 HIS 36 HE1 HIS 36 14.446 -16.080 -6.622 235 HA PRO 37 HA PRO 37 12.110 -25.339 -6.881 236 HB2 PRO 37 HB2 PRO 37 9.997 -25.743 -8.501 237 HB3 PRO 37 HB3 PRO 37 9.803 -25.288 -6.803 238 HG2 PRO 37 HG2 PRO 37 9.620 -23.586 -9.251 239 HG3 PRO 37 HG3 PRO 37 8.598 -23.576 -7.803 240 HD2 PRO 37 HD2 PRO 37 10.623 -21.781 -8.250 241 HD3 PRO 37 HD3 PRO 37 10.063 -22.248 -6.633 242 H ASN 38 H ASN 38 12.124 -23.156 -9.599 243 HA ASN 38 HA ASN 38 13.368 -25.250 -11.252 244 HB2 ASN 38 HB2 ASN 38 11.817 -22.789 -12.066 245 HB3 ASN 38 HB3 ASN 38 12.750 -23.757 -13.199 246 HD21 ASN 38 HD21 ASN 38 12.103 -26.290 -11.946 247 HD22 ASN 38 HD22 ASN 38 10.450 -26.611 -12.339 248 H GLY 39 H GLY 39 14.468 -23.214 -9.226 249 HA2 GLY 39 HA2 GLY 39 16.339 -21.892 -8.986 250 HA3 GLY 39 HA3 GLY 39 16.986 -22.831 -10.322 251 H GLU 40 H GLU 40 14.267 -20.589 -10.305 252 HA GLU 40 HA GLU 40 15.722 -18.964 -12.254 253 HB2 GLU 40 HB2 GLU 40 13.502 -18.217 -13.020 254 HB3 GLU 40 HB3 GLU 40 13.748 -19.948 -13.191 255 HG2 GLU 40 HG2 GLU 40 12.479 -20.312 -11.132 256 HG3 GLU 40 HG3 GLU 40 12.179 -18.575 -11.043 257 HA PRO 41 HA PRO 41 15.561 -15.574 -9.368 258 HB2 PRO 41 HB2 PRO 41 15.614 -13.692 -11.595 259 HB3 PRO 41 HB3 PRO 41 16.892 -14.071 -10.438 260 HG2 PRO 41 HG2 PRO 41 17.017 -14.764 -13.070 261 HG3 PRO 41 HG3 PRO 41 17.810 -15.688 -11.783 262 HD2 PRO 41 HD2 PRO 41 15.248 -16.254 -13.224 263 HD3 PRO 41 HD3 PRO 41 16.531 -17.369 -12.707 264 H CYS 42 H CYS 42 14.414 -13.249 -9.280 265 HA CYS 42 HA CYS 42 11.594 -13.767 -9.660 266 HB2 CYS 42 HB2 CYS 42 11.211 -11.821 -8.265 267 HB3 CYS 42 HB3 CYS 42 12.471 -12.791 -7.521 268 HA PRO 43 HA PRO 43 11.130 -11.406 -13.350 269 HB2 PRO 43 HB2 PRO 43 8.610 -10.484 -13.153 270 HB3 PRO 43 HB3 PRO 43 8.967 -12.206 -13.329 271 HG2 PRO 43 HG2 PRO 43 8.332 -10.655 -10.842 272 HG3 PRO 43 HG3 PRO 43 7.689 -12.219 -11.375 273 HD2 PRO 43 HD2 PRO 43 9.684 -12.000 -9.550 274 HD3 PRO 43 HD3 PRO 43 9.555 -13.372 -10.671 275 H HIS 44 H HIS 44 12.626 -9.866 -11.572 276 HA HIS 44 HA HIS 44 11.651 -7.147 -12.154 277 HB2 HIS 44 HB2 HIS 44 12.839 -8.198 -9.590 278 HB3 HIS 44 HB3 HIS 44 12.935 -6.497 -10.011 279 HD2 HIS 44 HD2 HIS 44 10.641 -5.051 -9.566 280 HE1 HIS 44 HE1 HIS 44 8.301 -8.278 -8.143 281 HE2 HIS 44 HE2 HIS 44 8.564 -5.786 -8.209 282 HA PRO 45 HA PRO 45 15.831 -6.954 -13.869 283 HB2 PRO 45 HB2 PRO 45 15.739 -4.411 -14.749 284 HB3 PRO 45 HB3 PRO 45 14.866 -5.704 -15.582 285 HG2 PRO 45 HG2 PRO 45 13.839 -3.675 -13.636 286 HG3 PRO 45 HG3 PRO 45 13.117 -4.228 -15.159 287 HD2 PRO 45 HD2 PRO 45 12.331 -5.158 -12.719 288 HD3 PRO 45 HD3 PRO 45 12.250 -6.125 -14.203 289 H ASP 46 H ASP 46 14.467 -5.331 -11.283 290 HA ASP 46 HA ASP 46 16.691 -3.637 -10.585 291 HB2 ASP 46 HB2 ASP 46 14.563 -2.833 -9.937 292 HB3 ASP 46 HB3 ASP 46 14.110 -4.378 -9.230 293 H CYS 47 H CYS 47 15.445 -6.771 -9.688 294 HA CYS 47 HA CYS 47 17.786 -7.150 -7.964 295 HB2 CYS 47 HB2 CYS 47 15.744 -7.195 -6.629 296 HB3 CYS 47 HB3 CYS 47 15.028 -8.378 -7.719 297 H HIS 48 H HIS 48 18.564 -9.360 -7.916 298 HA HIS 48 HA HIS 48 17.697 -11.110 -10.021 299 HB2 HIS 48 HB2 HIS 48 19.669 -9.345 -10.704 300 HB3 HIS 48 HB3 HIS 48 20.608 -10.722 -10.137 301 HD1 HIS 48 HD1 HIS 48 19.015 -9.434 -13.081 302 HD2 HIS 48 HD2 HIS 48 19.731 -13.224 -11.533 303 HE1 HIS 48 HE1 HIS 48 18.783 -11.011 -15.019 304 HE2 HIS 48 HE2 HIS 48 19.264 -13.293 -14.076 305 H CYS 49 H CYS 49 17.235 -11.767 -7.674 306 HA CYS 49 HA CYS 49 19.355 -12.912 -6.162 307 HB2 CYS 49 HB2 CYS 49 17.554 -13.853 -4.805 308 HB3 CYS 49 HB3 CYS 49 17.227 -12.161 -5.167 309 H GLU 50 H GLU 50 18.285 -15.413 -5.486 310 HA GLU 50 HA GLU 50 18.151 -17.589 -6.065 311 HB2 GLU 50 HB2 GLU 50 16.603 -16.668 -7.896 312 HB3 GLU 50 HB3 GLU 50 17.980 -16.788 -8.975 313 HG2 GLU 50 HG2 GLU 50 16.831 -19.099 -7.448 314 HG3 GLU 50 HG3 GLU 50 16.362 -18.664 -9.088 315 H ARG 51 H ARG 51 20.059 -15.817 -8.498 316 HA ARG 51 HA ARG 51 22.097 -17.828 -8.547 317 HB2 ARG 51 HB2 ARG 51 23.278 -16.290 -10.056 318 HB3 ARG 51 HB3 ARG 51 21.642 -16.618 -10.600 319 HG2 ARG 51 HG2 ARG 51 20.963 -14.478 -10.285 320 HG3 ARG 51 HG3 ARG 51 22.054 -14.217 -8.921 321 HD2 ARG 51 HD2 ARG 51 23.047 -14.551 -11.725 322 HD3 ARG 51 HD3 ARG 51 22.578 -12.969 -11.085 323 HE ARG 51 HE ARG 51 24.576 -14.564 -9.638 324 HH11 ARG 51 HH11 ARG 51 23.892 -11.778 -11.666 325 HH12 ARG 51 HH12 ARG 51 25.363 -10.968 -11.259 326 HH21 ARG 51 HH21 ARG 51 26.504 -13.491 -9.081 327 HH22 ARG 51 HH22 ARG 51 26.853 -11.936 -9.779 328 H SER 52 H SER 52 24.366 -17.114 -8.150 329 HA SER 52 HA SER 52 24.488 -15.156 -5.998 330 HB2 SER 52 HB2 SER 52 25.555 -17.958 -5.932 331 HB3 SER 52 HB3 SER 52 25.926 -16.727 -4.715 332 HG SER 52 HG SER 52 23.311 -16.788 -4.991 Start of MODEL 6 1 HA ASN 1 HA ASN 1 0.111 -2.198 1.889 2 HB2 ASN 1 HB2 ASN 1 1.271 0.594 1.917 3 HB3 ASN 1 HB3 ASN 1 0.488 -0.145 0.522 4 HD21 ASN 1 HD21 ASN 1 -0.222 2.225 2.069 5 HD22 ASN 1 HD22 ASN 1 -1.836 1.965 2.630 6 H GLU 2 H GLU 2 3.305 -1.084 2.826 7 HA GLU 2 HA GLU 2 4.416 -2.282 0.434 8 HB2 GLU 2 HB2 GLU 2 6.622 -1.471 1.289 9 HB3 GLU 2 HB3 GLU 2 5.450 -0.198 1.011 10 HG2 GLU 2 HG2 GLU 2 5.803 -1.360 3.737 11 HG3 GLU 2 HG3 GLU 2 6.928 -0.149 3.129 12 H LEU 3 H LEU 3 4.115 -4.389 0.579 13 HA LEU 3 HA LEU 3 4.937 -5.832 2.937 14 HB2 LEU 3 HB2 LEU 3 3.732 -6.620 0.301 15 HB3 LEU 3 HB3 LEU 3 4.382 -7.832 1.386 16 HG LEU 3 HG LEU 3 2.006 -7.733 1.653 17 HD11 LEU 3 HD11 LEU 3 3.320 -6.382 3.999 18 HD12 LEU 3 HD12 LEU 3 3.314 -8.115 3.669 19 HD13 LEU 3 HD13 LEU 3 1.802 -7.279 4.020 20 HD21 LEU 3 HD21 LEU 3 2.342 -4.794 2.229 21 HD22 LEU 3 HD22 LEU 3 0.842 -5.706 2.394 22 HD23 LEU 3 HD23 LEU 3 1.578 -5.502 0.805 23 H ARG 4 H ARG 4 6.809 -6.851 3.207 24 HA ARG 4 HA ARG 4 8.884 -6.454 1.237 25 HB2 ARG 4 HB2 ARG 4 8.796 -6.807 4.038 26 HB3 ARG 4 HB3 ARG 4 9.619 -8.220 3.406 27 HG2 ARG 4 HG2 ARG 4 11.425 -6.894 3.659 28 HG3 ARG 4 HG3 ARG 4 10.939 -6.322 2.061 29 HD2 ARG 4 HD2 ARG 4 11.431 -4.493 3.673 30 HD3 ARG 4 HD3 ARG 4 9.795 -4.443 3.019 31 HE ARG 4 HE ARG 4 9.028 -5.424 5.123 32 HH11 ARG 4 HH11 ARG 4 12.175 -3.881 5.107 33 HH12 ARG 4 HH12 ARG 4 12.202 -3.637 6.812 34 HH21 ARG 4 HH21 ARG 4 9.067 -5.116 7.376 35 HH22 ARG 4 HH22 ARG 4 10.429 -4.350 8.117 36 H CYS 5 H CYS 5 9.912 -8.135 0.125 37 HA CYS 5 HA CYS 5 8.334 -10.450 -0.380 38 HB2 CYS 5 HB2 CYS 5 9.825 -9.380 -2.080 39 HB3 CYS 5 HB3 CYS 5 11.213 -9.964 -1.166 40 H GLY 6 H GLY 6 8.692 -12.581 0.219 41 HA2 GLY 6 HA2 GLY 6 9.922 -12.984 2.772 42 HA3 GLY 6 HA3 GLY 6 9.166 -14.218 1.778 43 H CYS 7 H CYS 7 11.281 -12.866 -0.260 44 HA CYS 7 HA CYS 7 13.262 -14.930 0.147 45 HB2 CYS 7 HB2 CYS 7 12.243 -14.241 -2.105 46 HB3 CYS 7 HB3 CYS 7 13.170 -12.762 -1.971 47 HA PRO 8 HA PRO 8 15.506 -12.076 2.778 48 HB2 PRO 8 HB2 PRO 8 17.811 -13.547 2.968 49 HB3 PRO 8 HB3 PRO 8 16.351 -13.852 3.917 50 HG2 PRO 8 HG2 PRO 8 17.290 -15.190 1.413 51 HG3 PRO 8 HG3 PRO 8 16.606 -15.913 2.882 52 HD2 PRO 8 HD2 PRO 8 15.127 -15.558 0.691 53 HD3 PRO 8 HD3 PRO 8 14.437 -15.326 2.309 54 H ASP 9 H ASP 9 16.890 -13.323 -0.220 55 HA ASP 9 HA ASP 9 18.951 -11.251 -0.181 56 HB2 ASP 9 HB2 ASP 9 19.532 -13.555 -0.981 57 HB3 ASP 9 HB3 ASP 9 18.428 -13.317 -2.327 58 H CYS 10 H CYS 10 15.873 -11.819 -1.481 59 HA CYS 10 HA CYS 10 16.225 -9.714 -3.466 60 HB2 CYS 10 HB2 CYS 10 15.390 -11.543 -4.572 61 HB3 CYS 10 HB3 CYS 10 14.400 -12.054 -3.212 62 H HIS 11 H HIS 11 15.543 -7.773 -2.919 63 HA HIS 11 HA HIS 11 13.287 -7.567 -1.048 64 HB2 HIS 11 HB2 HIS 11 15.552 -5.641 -1.572 65 HB3 HIS 11 HB3 HIS 11 14.121 -5.211 -0.651 66 HD2 HIS 11 HD2 HIS 11 16.925 -8.011 -0.306 67 HE1 HIS 11 HE1 HIS 11 15.737 -6.671 3.538 68 HE2 HIS 11 HE2 HIS 11 17.355 -8.099 2.242 69 H CYS 12 H CYS 12 11.552 -7.485 -2.323 70 HA CYS 12 HA CYS 12 11.400 -5.260 -4.235 71 HB2 CYS 12 HB2 CYS 12 10.245 -8.054 -4.539 72 HB3 CYS 12 HB3 CYS 12 9.779 -6.700 -5.556 73 H LYS 13 H LYS 13 9.660 -3.917 -3.940 74 HA LYS 13 HA LYS 13 8.047 -4.259 -1.599 75 HB2 LYS 13 HB2 LYS 13 8.794 -2.014 -2.521 76 HB3 LYS 13 HB3 LYS 13 7.653 -2.232 -3.832 77 HG2 LYS 13 HG2 LYS 13 6.734 -2.252 -0.965 78 HG3 LYS 13 HG3 LYS 13 6.986 -0.733 -1.824 79 HD2 LYS 13 HD2 LYS 13 5.400 -1.712 -3.614 80 HD3 LYS 13 HD3 LYS 13 4.984 -2.920 -2.401 81 HE2 LYS 13 HE2 LYS 13 3.344 -1.202 -2.258 82 HE3 LYS 13 HE3 LYS 13 4.399 -1.012 -0.864 83 HZ1 LYS 13 HZ1 LYS 13 5.553 0.768 -2.007 84 HZ2 LYS 13 HZ2 LYS 13 3.904 1.099 -1.895 85 HZ3 LYS 13 HZ3 LYS 13 4.556 0.574 -3.362 86 H VAL 14 H VAL 14 6.530 -5.738 -1.549 87 HA VAL 14 HA VAL 14 5.096 -6.468 -3.976 88 HB VAL 14 HB VAL 14 4.608 -7.632 -1.247 89 HG11 VAL 14 HG11 VAL 14 3.029 -8.276 -2.902 90 HG12 VAL 14 HG12 VAL 14 4.106 -9.644 -2.612 91 HG13 VAL 14 HG13 VAL 14 4.307 -8.653 -4.054 92 HG21 VAL 14 HG21 VAL 14 6.782 -8.445 -3.172 93 HG22 VAL 14 HG22 VAL 14 6.313 -9.333 -1.725 94 HG23 VAL 14 HG23 VAL 14 7.018 -7.722 -1.582 95 H ASP 15 H ASP 15 2.973 -6.165 -4.330 96 HA ASP 15 HA ASP 15 1.639 -4.194 -2.687 97 HB2 ASP 15 HB2 ASP 15 0.996 -5.434 -5.357 98 HB3 ASP 15 HB3 ASP 15 -0.093 -4.348 -4.518 99 HA PRO 16 HA PRO 16 -0.738 -7.319 -0.620 100 HB2 PRO 16 HB2 PRO 16 -2.625 -5.716 0.470 101 HB3 PRO 16 HB3 PRO 16 -0.964 -5.751 1.072 102 HG2 PRO 16 HG2 PRO 16 -2.265 -3.788 -0.779 103 HG3 PRO 16 HG3 PRO 16 -1.181 -3.482 0.590 104 HD2 PRO 16 HD2 PRO 16 -0.327 -3.473 -1.987 105 HD3 PRO 16 HD3 PRO 16 0.709 -3.968 -0.635 106 H GLU 17 H GLU 17 -1.789 -5.312 -3.135 107 HA GLU 17 HA GLU 17 -4.505 -6.166 -3.311 108 HB2 GLU 17 HB2 GLU 17 -2.746 -4.919 -5.427 109 HB3 GLU 17 HB3 GLU 17 -4.501 -4.978 -5.423 110 HG2 GLU 17 HG2 GLU 17 -4.619 -3.479 -3.571 111 HG3 GLU 17 HG3 GLU 17 -2.873 -3.551 -3.339 112 H ARG 18 H ARG 18 -1.422 -7.156 -4.642 113 HA ARG 18 HA ARG 18 -2.609 -9.608 -5.644 114 HB2 ARG 18 HB2 ARG 18 -0.913 -7.850 -7.445 115 HB3 ARG 18 HB3 ARG 18 -1.621 -9.403 -7.864 116 HG2 ARG 18 HG2 ARG 18 -3.848 -8.469 -7.725 117 HG3 ARG 18 HG3 ARG 18 -3.187 -6.929 -7.174 118 HD2 ARG 18 HD2 ARG 18 -1.951 -6.786 -9.340 119 HD3 ARG 18 HD3 ARG 18 -2.833 -8.215 -9.878 120 HE ARG 18 HE ARG 18 -4.869 -6.738 -9.285 121 HH11 ARG 18 HH11 ARG 18 -1.872 -5.636 -10.765 122 HH12 ARG 18 HH12 ARG 18 -2.616 -4.303 -11.573 123 HH21 ARG 18 HH21 ARG 18 -5.851 -4.966 -10.374 124 HH22 ARG 18 HH22 ARG 18 -4.881 -3.925 -11.355 125 H VAL 19 H VAL 19 -1.432 -10.409 -3.849 126 HA VAL 19 HA VAL 19 1.471 -10.586 -4.317 127 HB VAL 19 HB VAL 19 1.223 -9.258 -2.350 128 HG11 VAL 19 HG11 VAL 19 -1.096 -9.704 -1.841 129 HG12 VAL 19 HG12 VAL 19 -0.088 -9.962 -0.414 130 HG13 VAL 19 HG13 VAL 19 -0.687 -11.344 -1.332 131 HG21 VAL 19 HG21 VAL 19 1.705 -12.084 -1.434 132 HG22 VAL 19 HG22 VAL 19 2.247 -10.608 -0.639 133 HG23 VAL 19 HG23 VAL 19 2.902 -11.055 -2.215 134 H PHE 20 H PHE 20 2.444 -12.550 -4.082 135 HA PHE 20 HA PHE 20 0.646 -14.807 -4.153 136 HB2 PHE 20 HB2 PHE 20 3.653 -14.739 -4.448 137 HB3 PHE 20 HB3 PHE 20 2.608 -16.115 -4.785 138 HD1 PHE 20 HD1 PHE 20 3.579 -12.788 -5.845 139 HD2 PHE 20 HD2 PHE 20 1.393 -16.265 -6.839 140 HE1 PHE 20 HE1 PHE 20 3.338 -11.957 -8.163 141 HE2 PHE 20 HE2 PHE 20 1.133 -15.467 -9.147 142 HZ PHE 20 HZ PHE 20 2.108 -13.305 -9.815 143 H ASN 21 H ASN 21 0.011 -15.528 -2.319 144 HA ASN 21 HA ASN 21 1.735 -15.378 0.034 145 HB2 ASN 21 HB2 ASN 21 -1.200 -16.095 -0.186 146 HB3 ASN 21 HB3 ASN 21 -0.300 -15.949 1.318 147 HD21 ASN 21 HD21 ASN 21 0.263 -13.899 2.072 148 HD22 ASN 21 HD22 ASN 21 -0.454 -12.460 1.435 149 H HIS 22 H HIS 22 3.074 -17.025 0.131 150 HA HIS 22 HA HIS 22 1.973 -19.736 -0.253 151 HB2 HIS 22 HB2 HIS 22 3.510 -18.881 -2.101 152 HB3 HIS 22 HB3 HIS 22 4.801 -18.950 -0.908 153 HD2 HIS 22 HD2 HIS 22 5.249 -21.683 0.081 154 HE1 HIS 22 HE1 HIS 22 3.713 -23.391 -3.481 155 HE2 HIS 22 HE2 HIS 22 5.271 -23.707 -1.540 156 H ASP 23 H ASP 23 2.118 -20.936 1.472 157 HA ASP 23 HA ASP 23 2.744 -21.826 3.463 158 HB2 ASP 23 HB2 ASP 23 4.966 -21.991 2.185 159 HB3 ASP 23 HB3 ASP 23 5.465 -20.561 3.078 160 H GLY 24 H GLY 24 1.824 -18.969 3.130 161 HA2 GLY 24 HA2 GLY 24 1.000 -17.613 4.873 162 HA3 GLY 24 HA3 GLY 24 2.287 -18.204 5.910 163 H GLU 25 H GLU 25 3.809 -17.512 3.094 164 HA GLU 25 HA GLU 25 4.564 -14.876 4.124 165 HB2 GLU 25 HB2 GLU 25 6.027 -16.999 2.665 166 HB3 GLU 25 HB3 GLU 25 6.507 -15.332 2.382 167 HG2 GLU 25 HG2 GLU 25 7.855 -16.373 4.100 168 HG3 GLU 25 HG3 GLU 25 6.918 -15.028 4.742 169 H ALA 26 H ALA 26 5.083 -13.191 2.689 170 HA ALA 26 HA ALA 26 3.384 -13.136 0.283 171 HB1 ALA 26 HB1 ALA 26 3.610 -10.630 0.623 172 HB2 ALA 26 HB2 ALA 26 4.337 -11.002 2.185 173 HB3 ALA 26 HB3 ALA 26 2.679 -11.497 1.842 174 H TYR 27 H TYR 27 4.572 -13.471 -1.520 175 HA TYR 27 HA TYR 27 7.260 -12.269 -1.633 176 HB2 TYR 27 HB2 TYR 27 6.171 -14.593 -3.229 177 HB3 TYR 27 HB3 TYR 27 7.807 -13.957 -3.304 178 HD1 TYR 27 HD1 TYR 27 5.405 -15.830 -1.231 179 HD2 TYR 27 HD2 TYR 27 9.445 -14.581 -1.669 180 HE1 TYR 27 HE1 TYR 27 6.078 -17.441 0.491 181 HE2 TYR 27 HE2 TYR 27 10.138 -16.186 0.058 182 HH TYR 27 HH TYR 27 8.104 -18.672 1.172 183 H CYS 28 H CYS 28 7.887 -11.271 -3.648 184 HA CYS 28 HA CYS 28 5.812 -9.759 -4.861 185 HB2 CYS 28 HB2 CYS 28 7.569 -8.878 -6.313 186 HB3 CYS 28 HB3 CYS 28 8.125 -8.923 -4.644 187 H SER 29 H SER 29 7.476 -12.691 -5.652 188 HA SER 29 HA SER 29 5.641 -13.088 -7.893 189 HB2 SER 29 HB2 SER 29 7.431 -14.037 -9.236 190 HB3 SER 29 HB3 SER 29 7.874 -12.397 -8.756 191 HG SER 29 HG SER 29 9.370 -13.168 -7.395 192 H GLN 30 H GLN 30 5.447 -15.390 -8.448 193 HA GLN 30 HA GLN 30 5.253 -16.971 -6.079 194 HB2 GLN 30 HB2 GLN 30 4.241 -18.663 -7.444 195 HB3 GLN 30 HB3 GLN 30 3.617 -17.115 -7.986 196 HG2 GLN 30 HG2 GLN 30 5.817 -18.675 -9.328 197 HG3 GLN 30 HG3 GLN 30 4.131 -18.650 -9.835 198 HE21 GLN 30 HE21 GLN 30 3.769 -15.837 -9.289 199 HE22 GLN 30 HE22 GLN 30 4.623 -14.989 -10.533 200 H ALA 31 H ALA 31 7.601 -16.470 -8.529 201 HA ALA 31 HA ALA 31 8.995 -18.898 -8.476 202 HB1 ALA 31 HB1 ALA 31 9.387 -17.165 -10.158 203 HB2 ALA 31 HB2 ALA 31 10.885 -17.624 -9.349 204 HB3 ALA 31 HB3 ALA 31 10.077 -16.115 -8.920 205 H CYS 32 H CYS 32 9.277 -15.978 -6.507 206 HA CYS 32 HA CYS 32 11.388 -17.017 -4.886 207 HB2 CYS 32 HB2 CYS 32 9.453 -14.745 -4.391 208 HB3 CYS 32 HB3 CYS 32 10.836 -15.112 -3.370 209 H ALA 33 H ALA 33 7.872 -16.868 -4.634 210 HA ALA 33 HA ALA 33 7.524 -17.903 -2.073 211 HB1 ALA 33 HB1 ALA 33 5.729 -16.924 -3.425 212 HB2 ALA 33 HB2 ALA 33 5.294 -18.515 -2.808 213 HB3 ALA 33 HB3 ALA 33 5.776 -18.328 -4.494 214 H GLU 34 H GLU 34 8.213 -19.484 -5.088 215 HA GLU 34 HA GLU 34 7.774 -22.141 -4.093 216 HB2 GLU 34 HB2 GLU 34 8.850 -21.007 -6.664 217 HB3 GLU 34 HB3 GLU 34 8.830 -22.731 -6.347 218 HG2 GLU 34 HG2 GLU 34 6.306 -21.199 -6.058 219 HG3 GLU 34 HG3 GLU 34 6.905 -21.565 -7.674 220 H GLN 35 H GLN 35 10.203 -19.937 -3.634 221 HA GLN 35 HA GLN 35 12.314 -20.011 -2.861 222 HB2 GLN 35 HB2 GLN 35 11.795 -22.965 -2.400 223 HB3 GLN 35 HB3 GLN 35 13.109 -22.032 -1.698 224 HG2 GLN 35 HG2 GLN 35 11.274 -20.568 -0.666 225 HG3 GLN 35 HG3 GLN 35 10.172 -21.856 -1.117 226 HE21 GLN 35 HE21 GLN 35 10.257 -23.819 -0.039 227 HE22 GLN 35 HE22 GLN 35 11.126 -24.034 1.438 228 H HIS 36 H HIS 36 11.640 -20.492 -5.634 229 HA HIS 36 HA HIS 36 12.550 -20.971 -7.649 230 HB2 HIS 36 HB2 HIS 36 15.249 -20.892 -6.308 231 HB3 HIS 36 HB3 HIS 36 14.847 -20.494 -7.977 232 HD1 HIS 36 HD1 HIS 36 13.994 -18.120 -8.454 233 HD2 HIS 36 HD2 HIS 36 14.571 -18.917 -4.416 234 HE1 HIS 36 HE1 HIS 36 13.887 -15.900 -7.305 235 HA PRO 37 HA PRO 37 13.142 -25.477 -6.623 236 HB2 PRO 37 HB2 PRO 37 11.100 -26.283 -8.269 237 HB3 PRO 37 HB3 PRO 37 10.896 -25.922 -6.552 238 HG2 PRO 37 HG2 PRO 37 10.317 -24.208 -8.929 239 HG3 PRO 37 HG3 PRO 37 9.378 -24.414 -7.439 240 HD2 PRO 37 HD2 PRO 37 10.950 -22.265 -7.860 241 HD3 PRO 37 HD3 PRO 37 10.726 -22.964 -6.245 242 H ASN 38 H ASN 38 12.163 -24.102 -9.785 243 HA ASN 38 HA ASN 38 13.959 -25.930 -11.166 244 HB2 ASN 38 HB2 ASN 38 12.135 -23.752 -12.212 245 HB3 ASN 38 HB3 ASN 38 13.077 -24.840 -13.221 246 HD21 ASN 38 HD21 ASN 38 12.634 -27.166 -11.561 247 HD22 ASN 38 HD22 ASN 38 10.989 -27.625 -11.812 248 H GLY 39 H GLY 39 13.962 -22.851 -9.830 249 HA2 GLY 39 HA2 GLY 39 15.876 -21.502 -9.572 250 HA3 GLY 39 HA3 GLY 39 16.605 -22.328 -10.945 251 H GLU 40 H GLU 40 13.456 -20.744 -10.623 252 HA GLU 40 HA GLU 40 14.259 -19.026 -12.828 253 HB2 GLU 40 HB2 GLU 40 11.850 -18.552 -13.120 254 HB3 GLU 40 HB3 GLU 40 12.274 -20.236 -13.363 255 HG2 GLU 40 HG2 GLU 40 11.369 -19.573 -10.634 256 HG3 GLU 40 HG3 GLU 40 10.157 -19.363 -11.891 257 HA PRO 41 HA PRO 41 14.576 -15.682 -9.820 258 HB2 PRO 41 HB2 PRO 41 15.025 -14.014 -12.191 259 HB3 PRO 41 HB3 PRO 41 16.107 -14.333 -10.834 260 HG2 PRO 41 HG2 PRO 41 16.528 -15.318 -13.328 261 HG3 PRO 41 HG3 PRO 41 17.067 -16.138 -11.854 262 HD2 PRO 41 HD2 PRO 41 14.734 -16.761 -13.620 263 HD3 PRO 41 HD3 PRO 41 15.806 -17.843 -12.707 264 H CYS 42 H CYS 42 13.522 -13.517 -9.611 265 HA CYS 42 HA CYS 42 10.829 -13.679 -10.639 266 HB2 CYS 42 HB2 CYS 42 10.300 -11.913 -9.049 267 HB3 CYS 42 HB3 CYS 42 11.233 -13.160 -8.238 268 HA PRO 43 HA PRO 43 11.300 -10.753 -13.897 269 HB2 PRO 43 HB2 PRO 43 8.928 -9.428 -13.809 270 HB3 PRO 43 HB3 PRO 43 9.074 -11.099 -14.364 271 HG2 PRO 43 HG2 PRO 43 8.267 -10.072 -11.671 272 HG3 PRO 43 HG3 PRO 43 7.512 -11.342 -12.652 273 HD2 PRO 43 HD2 PRO 43 9.148 -11.934 -10.618 274 HD3 PRO 43 HD3 PRO 43 9.127 -12.904 -12.103 275 H HIS 44 H HIS 44 12.500 -9.832 -11.438 276 HA HIS 44 HA HIS 44 12.135 -6.945 -11.821 277 HB2 HIS 44 HB2 HIS 44 12.415 -8.462 -9.232 278 HB3 HIS 44 HB3 HIS 44 12.754 -6.739 -9.345 279 HD2 HIS 44 HD2 HIS 44 10.417 -5.150 -9.960 280 HE1 HIS 44 HE1 HIS 44 7.719 -8.167 -8.692 281 HE2 HIS 44 HE2 HIS 44 7.958 -5.790 -9.474 282 HA PRO 45 HA PRO 45 16.566 -7.618 -12.489 283 HB2 PRO 45 HB2 PRO 45 17.017 -5.405 -13.929 284 HB3 PRO 45 HB3 PRO 45 16.187 -6.800 -14.633 285 HG2 PRO 45 HG2 PRO 45 15.038 -4.254 -13.560 286 HG3 PRO 45 HG3 PRO 45 14.612 -5.135 -15.038 287 HD2 PRO 45 HD2 PRO 45 13.193 -5.299 -12.698 288 HD3 PRO 45 HD3 PRO 45 13.240 -6.592 -13.911 289 H ASP 46 H ASP 46 14.892 -5.713 -10.515 290 HA ASP 46 HA ASP 46 16.687 -3.639 -9.778 291 HB2 ASP 46 HB2 ASP 46 14.283 -3.552 -9.295 292 HB3 ASP 46 HB3 ASP 46 14.434 -4.952 -8.242 293 H CYS 47 H CYS 47 16.186 -6.945 -8.773 294 HA CYS 47 HA CYS 47 18.394 -6.728 -6.848 295 HB2 CYS 47 HB2 CYS 47 17.428 -8.725 -5.810 296 HB3 CYS 47 HB3 CYS 47 16.236 -7.433 -5.907 297 H HIS 48 H HIS 48 18.838 -9.525 -6.671 298 HA HIS 48 HA HIS 48 19.290 -10.599 -9.283 299 HB2 HIS 48 HB2 HIS 48 21.179 -8.928 -8.916 300 HB3 HIS 48 HB3 HIS 48 21.747 -9.991 -7.636 301 HD1 HIS 48 HD1 HIS 48 23.432 -11.655 -8.369 302 HD2 HIS 48 HD2 HIS 48 20.999 -10.427 -11.502 303 HE1 HIS 48 HE1 HIS 48 24.340 -12.791 -10.418 304 HE2 HIS 48 HE2 HIS 48 23.016 -11.821 -12.313 305 H CYS 49 H CYS 49 17.767 -11.629 -7.302 306 HA CYS 49 HA CYS 49 19.255 -13.468 -5.658 307 HB2 CYS 49 HB2 CYS 49 17.048 -14.330 -4.987 308 HB3 CYS 49 HB3 CYS 49 17.097 -12.578 -4.886 309 H GLU 50 H GLU 50 17.858 -15.824 -5.871 310 HA GLU 50 HA GLU 50 17.466 -17.713 -7.016 311 HB2 GLU 50 HB2 GLU 50 16.471 -16.079 -8.737 312 HB3 GLU 50 HB3 GLU 50 17.955 -16.335 -9.641 313 HG2 GLU 50 HG2 GLU 50 16.160 -18.566 -8.777 314 HG3 GLU 50 HG3 GLU 50 15.971 -17.710 -10.306 315 H ARG 51 H ARG 51 20.065 -16.125 -9.015 316 HA ARG 51 HA ARG 51 21.588 -18.504 -9.259 317 HB2 ARG 51 HB2 ARG 51 22.314 -15.598 -9.544 318 HB3 ARG 51 HB3 ARG 51 23.600 -16.783 -9.468 319 HG2 ARG 51 HG2 ARG 51 21.429 -16.587 -11.562 320 HG3 ARG 51 HG3 ARG 51 23.140 -16.234 -11.771 321 HD2 ARG 51 HD2 ARG 51 22.975 -18.365 -12.708 322 HD3 ARG 51 HD3 ARG 51 23.444 -18.753 -11.049 323 HE ARG 51 HE ARG 51 20.695 -18.671 -11.026 324 HH11 ARG 51 HH11 ARG 51 23.109 -20.601 -12.687 325 HH12 ARG 51 HH12 ARG 51 22.032 -21.935 -12.932 326 HH21 ARG 51 HH21 ARG 51 19.292 -20.402 -11.340 327 HH22 ARG 51 HH22 ARG 51 19.848 -21.828 -12.153 328 H SER 52 H SER 52 23.047 -19.487 -7.984 329 HA SER 52 HA SER 52 24.256 -20.064 -6.167 330 HB2 SER 52 HB2 SER 52 24.367 -17.100 -5.562 331 HB3 SER 52 HB3 SER 52 25.423 -18.343 -4.895 332 HG SER 52 HG SER 52 25.343 -18.390 -7.620 Start of MODEL 7 1 HA ASN 1 HA ASN 1 -0.350 -2.527 3.185 2 HB2 ASN 1 HB2 ASN 1 -0.154 -0.210 1.252 3 HB3 ASN 1 HB3 ASN 1 -0.888 -1.764 0.879 4 HD21 ASN 1 HD21 ASN 1 -2.025 0.923 0.922 5 HD22 ASN 1 HD22 ASN 1 -3.369 0.850 2.008 6 H GLU 2 H GLU 2 2.552 -1.654 3.583 7 HA GLU 2 HA GLU 2 3.792 -2.537 1.124 8 HB2 GLU 2 HB2 GLU 2 5.912 -2.165 2.368 9 HB3 GLU 2 HB3 GLU 2 4.880 -0.744 2.280 10 HG2 GLU 2 HG2 GLU 2 4.322 -0.849 4.524 11 HG3 GLU 2 HG3 GLU 2 4.749 -2.553 4.651 12 H LEU 3 H LEU 3 4.010 -4.633 0.700 13 HA LEU 3 HA LEU 3 4.394 -6.461 2.940 14 HB2 LEU 3 HB2 LEU 3 3.481 -6.833 0.107 15 HB3 LEU 3 HB3 LEU 3 4.095 -8.188 1.029 16 HG LEU 3 HG LEU 3 1.682 -8.156 1.045 17 HD11 LEU 3 HD11 LEU 3 2.826 -9.023 3.015 18 HD12 LEU 3 HD12 LEU 3 1.285 -8.281 3.443 19 HD13 LEU 3 HD13 LEU 3 2.792 -7.419 3.747 20 HD21 LEU 3 HD21 LEU 3 1.922 -5.442 2.322 21 HD22 LEU 3 HD22 LEU 3 0.432 -6.374 2.197 22 HD23 LEU 3 HD23 LEU 3 1.242 -5.808 0.736 23 H ARG 4 H ARG 4 6.293 -7.394 3.265 24 HA ARG 4 HA ARG 4 8.455 -6.749 1.415 25 HB2 ARG 4 HB2 ARG 4 8.226 -7.100 4.275 26 HB3 ARG 4 HB3 ARG 4 9.528 -8.071 3.606 27 HG2 ARG 4 HG2 ARG 4 10.564 -6.131 2.649 28 HG3 ARG 4 HG3 ARG 4 9.196 -5.120 3.132 29 HD2 ARG 4 HD2 ARG 4 11.138 -4.915 4.642 30 HD3 ARG 4 HD3 ARG 4 9.679 -5.489 5.453 31 HE ARG 4 HE ARG 4 11.493 -7.549 4.522 32 HH11 ARG 4 HH11 ARG 4 10.515 -5.511 7.193 33 HH12 ARG 4 HH12 ARG 4 11.136 -6.577 8.405 34 HH21 ARG 4 HH21 ARG 4 12.336 -8.967 6.126 35 HH22 ARG 4 HH22 ARG 4 12.177 -8.546 7.795 36 H CYS 5 H CYS 5 9.479 -8.250 0.241 37 HA CYS 5 HA CYS 5 8.303 -10.731 -0.241 38 HB2 CYS 5 HB2 CYS 5 9.865 -9.432 -1.777 39 HB3 CYS 5 HB3 CYS 5 11.190 -10.072 -0.807 40 H GLY 6 H GLY 6 8.501 -12.671 0.644 41 HA2 GLY 6 HA2 GLY 6 9.810 -13.009 3.137 42 HA3 GLY 6 HA3 GLY 6 9.040 -14.278 2.197 43 H CYS 7 H CYS 7 11.007 -13.212 -0.025 44 HA CYS 7 HA CYS 7 12.987 -15.217 0.439 45 HB2 CYS 7 HB2 CYS 7 12.029 -14.666 -1.805 46 HB3 CYS 7 HB3 CYS 7 12.819 -13.103 -1.730 47 HA PRO 8 HA PRO 8 15.303 -12.407 3.054 48 HB2 PRO 8 HB2 PRO 8 17.470 -14.017 3.445 49 HB3 PRO 8 HB3 PRO 8 15.929 -14.212 4.289 50 HG2 PRO 8 HG2 PRO 8 16.953 -15.652 1.870 51 HG3 PRO 8 HG3 PRO 8 16.149 -16.314 3.305 52 HD2 PRO 8 HD2 PRO 8 14.821 -15.925 1.023 53 HD3 PRO 8 HD3 PRO 8 14.051 -15.631 2.597 54 H ASP 9 H ASP 9 16.582 -13.663 0.054 55 HA ASP 9 HA ASP 9 18.826 -11.753 0.208 56 HB2 ASP 9 HB2 ASP 9 19.286 -14.170 -0.388 57 HB3 ASP 9 HB3 ASP 9 18.388 -13.905 -1.876 58 H CYS 10 H CYS 10 15.779 -11.659 -0.669 59 HA CYS 10 HA CYS 10 16.261 -10.189 -3.156 60 HB2 CYS 10 HB2 CYS 10 14.949 -12.232 -3.413 61 HB3 CYS 10 HB3 CYS 10 13.805 -11.630 -2.220 62 H HIS 11 H HIS 11 15.770 -8.089 -3.183 63 HA HIS 11 HA HIS 11 14.082 -7.039 -1.009 64 HB2 HIS 11 HB2 HIS 11 16.387 -5.779 -2.484 65 HB3 HIS 11 HB3 HIS 11 15.217 -4.814 -1.597 66 HD2 HIS 11 HD2 HIS 11 15.623 -7.760 0.579 67 HE1 HIS 11 HE1 HIS 11 18.816 -5.206 1.681 68 HE2 HIS 11 HE2 HIS 11 17.621 -7.362 2.158 69 H CYS 12 H CYS 12 12.120 -7.060 -1.873 70 HA CYS 12 HA CYS 12 11.594 -5.237 -4.069 71 HB2 CYS 12 HB2 CYS 12 10.706 -8.144 -4.071 72 HB3 CYS 12 HB3 CYS 12 10.053 -6.919 -5.145 73 H LYS 13 H LYS 13 9.960 -3.950 -3.462 74 HA LYS 13 HA LYS 13 8.366 -4.567 -1.139 75 HB2 LYS 13 HB2 LYS 13 9.219 -2.235 -1.914 76 HB3 LYS 13 HB3 LYS 13 7.887 -2.277 -3.053 77 HG2 LYS 13 HG2 LYS 13 7.488 -2.571 -0.076 78 HG3 LYS 13 HG3 LYS 13 7.512 -1.009 -0.882 79 HD2 LYS 13 HD2 LYS 13 5.607 -3.260 -1.558 80 HD3 LYS 13 HD3 LYS 13 5.222 -1.913 -0.487 81 HE2 LYS 13 HE2 LYS 13 6.019 -1.653 -3.389 82 HE3 LYS 13 HE3 LYS 13 4.364 -1.602 -2.784 83 HZ1 LYS 13 HZ1 LYS 13 5.009 0.332 -1.430 84 HZ2 LYS 13 HZ2 LYS 13 5.160 0.618 -3.086 85 HZ3 LYS 13 HZ3 LYS 13 6.536 0.320 -2.155 86 H VAL 14 H VAL 14 6.624 -5.796 -1.237 87 HA VAL 14 HA VAL 14 5.436 -6.348 -3.848 88 HB VAL 14 HB VAL 14 4.816 -7.755 -1.261 89 HG11 VAL 14 HG11 VAL 14 4.281 -9.616 -2.809 90 HG12 VAL 14 HG12 VAL 14 4.545 -8.513 -4.159 91 HG13 VAL 14 HG13 VAL 14 3.249 -8.201 -3.007 92 HG21 VAL 14 HG21 VAL 14 7.005 -8.416 -3.228 93 HG22 VAL 14 HG22 VAL 14 6.498 -9.433 -1.880 94 HG23 VAL 14 HG23 VAL 14 7.225 -7.856 -1.570 95 H ASP 15 H ASP 15 3.329 -6.066 -4.311 96 HA ASP 15 HA ASP 15 1.837 -4.271 -2.586 97 HB2 ASP 15 HB2 ASP 15 1.578 -5.107 -5.457 98 HB3 ASP 15 HB3 ASP 15 0.277 -4.271 -4.629 99 HA PRO 16 HA PRO 16 -0.651 -7.580 -1.043 100 HB2 PRO 16 HB2 PRO 16 -2.670 -6.119 0.002 101 HB3 PRO 16 HB3 PRO 16 -1.062 -6.165 0.734 102 HG2 PRO 16 HG2 PRO 16 -2.269 -4.088 -1.051 103 HG3 PRO 16 HG3 PRO 16 -1.300 -3.874 0.417 104 HD2 PRO 16 HD2 PRO 16 -0.264 -3.632 -2.081 105 HD3 PRO 16 HD3 PRO 16 0.689 -4.201 -0.696 106 H GLU 17 H GLU 17 -1.597 -5.470 -3.526 107 HA GLU 17 HA GLU 17 -4.273 -6.362 -3.863 108 HB2 GLU 17 HB2 GLU 17 -2.452 -4.989 -5.836 109 HB3 GLU 17 HB3 GLU 17 -4.204 -5.105 -5.933 110 HG2 GLU 17 HG2 GLU 17 -2.640 -3.640 -3.822 111 HG3 GLU 17 HG3 GLU 17 -3.506 -2.916 -5.175 112 H ARG 18 H ARG 18 -1.125 -7.283 -5.061 113 HA ARG 18 HA ARG 18 -2.305 -9.620 -6.323 114 HB2 ARG 18 HB2 ARG 18 -0.443 -7.726 -7.761 115 HB3 ARG 18 HB3 ARG 18 -0.960 -9.293 -8.372 116 HG2 ARG 18 HG2 ARG 18 -3.307 -8.471 -8.293 117 HG3 ARG 18 HG3 ARG 18 -2.675 -6.884 -7.845 118 HD2 ARG 18 HD2 ARG 18 -1.512 -6.690 -9.923 119 HD3 ARG 18 HD3 ARG 18 -1.880 -8.362 -10.347 120 HE ARG 18 HE ARG 18 -4.100 -6.507 -9.953 121 HH11 ARG 18 HH11 ARG 18 -2.107 -8.367 -12.157 122 HH12 ARG 18 HH12 ARG 18 -3.224 -8.255 -13.469 123 HH21 ARG 18 HH21 ARG 18 -5.579 -6.354 -11.688 124 HH22 ARG 18 HH22 ARG 18 -5.204 -7.091 -13.207 125 H VAL 19 H VAL 19 -1.136 -9.914 -4.051 126 HA VAL 19 HA VAL 19 1.681 -10.578 -4.518 127 HB VAL 19 HB VAL 19 1.425 -9.193 -2.572 128 HG11 VAL 19 HG11 VAL 19 -0.927 -9.526 -2.115 129 HG12 VAL 19 HG12 VAL 19 0.027 -9.847 -0.664 130 HG13 VAL 19 HG13 VAL 19 -0.615 -11.188 -1.611 131 HG21 VAL 19 HG21 VAL 19 1.778 -12.054 -1.703 132 HG22 VAL 19 HG22 VAL 19 2.300 -10.628 -0.810 133 HG23 VAL 19 HG23 VAL 19 3.037 -11.013 -2.366 134 H PHE 20 H PHE 20 2.390 -12.634 -4.492 135 HA PHE 20 HA PHE 20 0.431 -14.729 -4.258 136 HB2 PHE 20 HB2 PHE 20 2.340 -14.609 -5.994 137 HB3 PHE 20 HB3 PHE 20 3.380 -15.132 -4.671 138 HD1 PHE 20 HD1 PHE 20 0.476 -15.996 -6.670 139 HD2 PHE 20 HD2 PHE 20 3.415 -17.393 -3.968 140 HE1 PHE 20 HE1 PHE 20 -0.245 -18.329 -7.111 141 HE2 PHE 20 HE2 PHE 20 2.730 -19.720 -4.389 142 HZ PHE 20 HZ PHE 20 0.893 -20.191 -5.965 143 H ASN 21 H ASN 21 -0.072 -15.325 -2.275 144 HA ASN 21 HA ASN 21 1.921 -15.212 -0.170 145 HB2 ASN 21 HB2 ASN 21 -1.032 -15.841 -0.090 146 HB3 ASN 21 HB3 ASN 21 0.019 -15.828 1.321 147 HD21 ASN 21 HD21 ASN 21 0.830 -13.861 2.071 148 HD22 ASN 21 HD22 ASN 21 0.122 -12.358 1.606 149 H HIS 22 H HIS 22 3.090 -16.870 0.339 150 HA HIS 22 HA HIS 22 2.012 -19.572 -0.054 151 HB2 HIS 22 HB2 HIS 22 3.560 -18.922 -1.923 152 HB3 HIS 22 HB3 HIS 22 4.844 -18.765 -0.731 153 HD2 HIS 22 HD2 HIS 22 5.287 -21.380 0.654 154 HE1 HIS 22 HE1 HIS 22 4.217 -23.492 -2.864 155 HE2 HIS 22 HE2 HIS 22 5.567 -23.538 -0.745 156 H ASP 23 H ASP 23 2.078 -20.653 1.758 157 HA ASP 23 HA ASP 23 2.577 -21.358 3.851 158 HB2 ASP 23 HB2 ASP 23 4.866 -21.675 2.763 159 HB3 ASP 23 HB3 ASP 23 5.325 -20.139 3.485 160 H GLY 24 H GLY 24 1.678 -18.579 3.185 161 HA2 GLY 24 HA2 GLY 24 0.732 -17.027 4.666 162 HA3 GLY 24 HA3 GLY 24 1.863 -17.546 5.902 163 H GLU 25 H GLU 25 3.716 -17.096 3.215 164 HA GLU 25 HA GLU 25 4.466 -14.425 4.160 165 HB2 GLU 25 HB2 GLU 25 5.941 -16.659 2.893 166 HB3 GLU 25 HB3 GLU 25 6.464 -15.034 2.486 167 HG2 GLU 25 HG2 GLU 25 7.774 -15.887 4.296 168 HG3 GLU 25 HG3 GLU 25 6.773 -14.558 4.869 169 H ALA 26 H ALA 26 5.162 -12.840 2.614 170 HA ALA 26 HA ALA 26 3.479 -12.866 0.203 171 HB1 ALA 26 HB1 ALA 26 2.840 -11.106 1.678 172 HB2 ALA 26 HB2 ALA 26 3.756 -10.361 0.365 173 HB3 ALA 26 HB3 ALA 26 4.517 -10.627 1.929 174 H TYR 27 H TYR 27 4.582 -13.177 -1.638 175 HA TYR 27 HA TYR 27 7.340 -12.166 -1.762 176 HB2 TYR 27 HB2 TYR 27 6.169 -14.499 -3.281 177 HB3 TYR 27 HB3 TYR 27 7.843 -13.963 -3.304 178 HD1 TYR 27 HD1 TYR 27 5.237 -15.553 -1.226 179 HD2 TYR 27 HD2 TYR 27 9.375 -14.647 -1.595 180 HE1 TYR 27 HE1 TYR 27 5.734 -17.111 0.600 181 HE2 TYR 27 HE2 TYR 27 9.881 -16.206 0.237 182 HH TYR 27 HH TYR 27 7.557 -18.416 1.445 183 H CYS 28 H CYS 28 8.019 -11.304 -3.824 184 HA CYS 28 HA CYS 28 6.040 -9.690 -5.026 185 HB2 CYS 28 HB2 CYS 28 7.881 -9.063 -6.613 186 HB3 CYS 28 HB3 CYS 28 8.275 -8.855 -4.913 187 H SER 29 H SER 29 7.089 -12.870 -5.671 188 HA SER 29 HA SER 29 5.154 -13.134 -7.765 189 HB2 SER 29 HB2 SER 29 7.060 -12.300 -9.064 190 HB3 SER 29 HB3 SER 29 8.088 -13.564 -8.392 191 HG SER 29 HG SER 29 6.227 -13.684 -10.422 192 H GLN 30 H GLN 30 5.008 -15.378 -8.511 193 HA GLN 30 HA GLN 30 4.825 -17.189 -6.402 194 HB2 GLN 30 HB2 GLN 30 4.993 -17.830 -9.356 195 HB3 GLN 30 HB3 GLN 30 4.382 -18.900 -8.105 196 HG2 GLN 30 HG2 GLN 30 2.361 -18.094 -8.516 197 HG3 GLN 30 HG3 GLN 30 2.894 -16.568 -7.822 198 HE21 GLN 30 HE21 GLN 30 4.823 -16.174 -10.048 199 HE22 GLN 30 HE22 GLN 30 3.866 -15.660 -11.385 200 H ALA 31 H ALA 31 7.430 -16.601 -8.671 201 HA ALA 31 HA ALA 31 8.911 -18.939 -8.361 202 HB1 ALA 31 HB1 ALA 31 9.346 -17.270 -10.081 203 HB2 ALA 31 HB2 ALA 31 10.800 -17.694 -9.177 204 HB3 ALA 31 HB3 ALA 31 9.971 -16.170 -8.849 205 H CYS 32 H CYS 32 9.196 -15.887 -6.529 206 HA CYS 32 HA CYS 32 11.264 -16.843 -4.826 207 HB2 CYS 32 HB2 CYS 32 9.325 -14.547 -4.580 208 HB3 CYS 32 HB3 CYS 32 10.465 -14.929 -3.297 209 H ALA 33 H ALA 33 7.764 -16.786 -4.610 210 HA ALA 33 HA ALA 33 7.445 -17.662 -1.991 211 HB1 ALA 33 HB1 ALA 33 5.642 -16.773 -3.405 212 HB2 ALA 33 HB2 ALA 33 5.216 -18.304 -2.652 213 HB3 ALA 33 HB3 ALA 33 5.673 -18.259 -4.355 214 H GLU 34 H GLU 34 8.223 -19.418 -4.881 215 HA GLU 34 HA GLU 34 7.833 -21.962 -3.548 216 HB2 GLU 34 HB2 GLU 34 8.392 -21.131 -6.345 217 HB3 GLU 34 HB3 GLU 34 8.639 -22.796 -5.859 218 HG2 GLU 34 HG2 GLU 34 6.217 -22.548 -4.914 219 HG3 GLU 34 HG3 GLU 34 6.135 -21.227 -6.082 220 H GLN 35 H GLN 35 10.175 -19.793 -3.422 221 HA GLN 35 HA GLN 35 12.343 -19.827 -2.785 222 HB2 GLN 35 HB2 GLN 35 11.973 -22.800 -2.413 223 HB3 GLN 35 HB3 GLN 35 13.219 -21.796 -1.686 224 HG2 GLN 35 HG2 GLN 35 11.526 -20.600 -0.412 225 HG3 GLN 35 HG3 GLN 35 10.266 -21.576 -1.162 226 HE21 GLN 35 HE21 GLN 35 10.029 -23.711 -0.568 227 HE22 GLN 35 HE22 GLN 35 10.776 -24.365 0.848 228 H HIS 36 H HIS 36 11.499 -20.468 -5.595 229 HA HIS 36 HA HIS 36 12.425 -20.917 -7.629 230 HB2 HIS 36 HB2 HIS 36 15.147 -20.775 -6.331 231 HB3 HIS 36 HB3 HIS 36 14.706 -20.390 -7.991 232 HD1 HIS 36 HD1 HIS 36 14.284 -17.986 -8.472 233 HD2 HIS 36 HD2 HIS 36 14.026 -18.857 -4.422 234 HE1 HIS 36 HE1 HIS 36 14.075 -15.779 -7.318 235 HA PRO 37 HA PRO 37 13.269 -25.329 -6.527 236 HB2 PRO 37 HB2 PRO 37 11.096 -26.387 -7.740 237 HB3 PRO 37 HB3 PRO 37 11.047 -25.760 -6.088 238 HG2 PRO 37 HG2 PRO 37 10.124 -24.492 -8.626 239 HG3 PRO 37 HG3 PRO 37 9.377 -24.462 -7.018 240 HD2 PRO 37 HD2 PRO 37 10.877 -22.408 -8.061 241 HD3 PRO 37 HD3 PRO 37 10.670 -22.703 -6.326 242 H ASN 38 H ASN 38 12.039 -23.927 -9.567 243 HA ASN 38 HA ASN 38 13.669 -25.858 -11.058 244 HB2 ASN 38 HB2 ASN 38 11.494 -23.996 -12.054 245 HB3 ASN 38 HB3 ASN 38 12.356 -25.179 -13.030 246 HD21 ASN 38 HD21 ASN 38 12.354 -27.161 -10.832 247 HD22 ASN 38 HD22 ASN 38 10.742 -27.778 -10.769 248 H GLY 39 H GLY 39 14.085 -23.035 -9.679 249 HA2 GLY 39 HA2 GLY 39 15.836 -21.534 -9.884 250 HA3 GLY 39 HA3 GLY 39 16.298 -22.343 -11.374 251 H GLU 40 H GLU 40 13.136 -20.941 -10.688 252 HA GLU 40 HA GLU 40 13.640 -19.118 -12.883 253 HB2 GLU 40 HB2 GLU 40 11.225 -18.593 -12.754 254 HB3 GLU 40 HB3 GLU 40 11.566 -20.278 -13.102 255 HG2 GLU 40 HG2 GLU 40 11.123 -19.603 -10.251 256 HG3 GLU 40 HG3 GLU 40 9.729 -19.454 -11.311 257 HA PRO 41 HA PRO 41 14.525 -15.824 -9.921 258 HB2 PRO 41 HB2 PRO 41 14.558 -14.128 -12.322 259 HB3 PRO 41 HB3 PRO 41 15.852 -14.447 -11.168 260 HG2 PRO 41 HG2 PRO 41 15.888 -15.420 -13.687 261 HG3 PRO 41 HG3 PRO 41 16.605 -16.284 -12.318 262 HD2 PRO 41 HD2 PRO 41 14.000 -16.789 -13.714 263 HD3 PRO 41 HD3 PRO 41 15.183 -17.932 -13.043 264 H CYS 42 H CYS 42 13.611 -13.506 -9.683 265 HA CYS 42 HA CYS 42 10.747 -13.639 -10.166 266 HB2 CYS 42 HB2 CYS 42 10.560 -11.803 -8.566 267 HB3 CYS 42 HB3 CYS 42 11.588 -13.055 -7.886 268 HA PRO 43 HA PRO 43 10.773 -10.770 -13.549 269 HB2 PRO 43 HB2 PRO 43 8.518 -9.326 -13.118 270 HB3 PRO 43 HB3 PRO 43 8.483 -11.022 -13.619 271 HG2 PRO 43 HG2 PRO 43 8.204 -9.862 -10.867 272 HG3 PRO 43 HG3 PRO 43 7.217 -11.105 -11.657 273 HD2 PRO 43 HD2 PRO 43 9.140 -11.745 -9.903 274 HD3 PRO 43 HD3 PRO 43 8.805 -12.759 -11.320 275 H HIS 44 H HIS 44 12.456 -9.870 -11.409 276 HA HIS 44 HA HIS 44 12.182 -6.967 -11.734 277 HB2 HIS 44 HB2 HIS 44 12.721 -8.496 -9.188 278 HB3 HIS 44 HB3 HIS 44 13.160 -6.801 -9.365 279 HD2 HIS 44 HD2 HIS 44 10.986 -5.019 -9.410 280 HE1 HIS 44 HE1 HIS 44 8.086 -7.887 -8.245 281 HE2 HIS 44 HE2 HIS 44 8.679 -5.450 -8.315 282 HA PRO 45 HA PRO 45 16.403 -7.976 -13.046 283 HB2 PRO 45 HB2 PRO 45 16.806 -5.848 -14.605 284 HB3 PRO 45 HB3 PRO 45 15.714 -7.145 -15.107 285 HG2 PRO 45 HG2 PRO 45 15.068 -4.476 -13.922 286 HG3 PRO 45 HG3 PRO 45 14.283 -5.316 -15.270 287 HD2 PRO 45 HD2 PRO 45 13.329 -5.295 -12.686 288 HD3 PRO 45 HD3 PRO 45 12.964 -6.563 -13.864 289 H ASP 46 H ASP 46 15.716 -6.581 -10.517 290 HA ASP 46 HA ASP 46 17.740 -4.464 -10.410 291 HB2 ASP 46 HB2 ASP 46 15.577 -3.801 -9.573 292 HB3 ASP 46 HB3 ASP 46 15.527 -5.191 -8.495 293 H CYS 47 H CYS 47 17.016 -7.641 -9.155 294 HA CYS 47 HA CYS 47 19.532 -7.549 -7.623 295 HB2 CYS 47 HB2 CYS 47 18.480 -8.943 -5.928 296 HB3 CYS 47 HB3 CYS 47 17.585 -7.441 -6.130 297 H HIS 48 H HIS 48 19.613 -10.117 -6.786 298 HA HIS 48 HA HIS 48 19.219 -11.893 -8.993 299 HB2 HIS 48 HB2 HIS 48 21.632 -12.585 -9.088 300 HB3 HIS 48 HB3 HIS 48 21.312 -10.988 -9.739 301 HD1 HIS 48 HD1 HIS 48 23.204 -12.772 -7.076 302 HD2 HIS 48 HD2 HIS 48 22.349 -8.851 -8.177 303 HE1 HIS 48 HE1 HIS 48 24.823 -11.337 -5.805 304 HE2 HIS 48 HE2 HIS 48 24.172 -8.971 -6.354 305 H CYS 49 H CYS 49 17.836 -12.595 -7.198 306 HA CYS 49 HA CYS 49 19.172 -13.857 -4.954 307 HB2 CYS 49 HB2 CYS 49 16.847 -14.421 -4.255 308 HB3 CYS 49 HB3 CYS 49 17.123 -12.697 -4.484 309 H GLU 50 H GLU 50 18.172 -14.685 -8.083 310 HA GLU 50 HA GLU 50 17.850 -17.498 -7.474 311 HB2 GLU 50 HB2 GLU 50 16.507 -16.152 -9.234 312 HB3 GLU 50 HB3 GLU 50 17.933 -16.310 -10.245 313 HG2 GLU 50 HG2 GLU 50 16.475 -18.656 -9.069 314 HG3 GLU 50 HG3 GLU 50 16.087 -17.962 -10.639 315 H ARG 51 H ARG 51 19.894 -15.619 -9.769 316 HA ARG 51 HA ARG 51 21.924 -17.701 -9.611 317 HB2 ARG 51 HB2 ARG 51 23.002 -16.676 -11.490 318 HB3 ARG 51 HB3 ARG 51 21.285 -16.690 -11.832 319 HG2 ARG 51 HG2 ARG 51 21.763 -14.575 -12.508 320 HG3 ARG 51 HG3 ARG 51 21.452 -14.240 -10.804 321 HD2 ARG 51 HD2 ARG 51 23.918 -14.504 -10.396 322 HD3 ARG 51 HD3 ARG 51 24.137 -14.603 -12.140 323 HE ARG 51 HE ARG 51 22.770 -12.299 -11.830 324 HH11 ARG 51 HH11 ARG 51 25.692 -13.585 -10.371 325 HH12 ARG 51 HH12 ARG 51 26.396 -12.028 -10.097 326 HH21 ARG 51 HH21 ARG 51 23.706 -10.219 -11.444 327 HH22 ARG 51 HH22 ARG 51 25.261 -10.112 -10.698 328 H SER 52 H SER 52 23.909 -17.481 -8.721 329 HA SER 52 HA SER 52 25.497 -16.783 -7.257 330 HB2 SER 52 HB2 SER 52 24.851 -13.996 -8.233 331 HB3 SER 52 HB3 SER 52 26.373 -14.564 -7.549 332 HG SER 52 HG SER 52 26.157 -16.147 -9.470 Start of MODEL 8 1 HA ASN 1 HA ASN 1 7.312 -0.716 3.079 2 HB2 ASN 1 HB2 ASN 1 6.765 1.611 2.518 3 HB3 ASN 1 HB3 ASN 1 5.050 1.223 2.543 4 HD21 ASN 1 HD21 ASN 1 3.992 1.077 4.486 5 HD22 ASN 1 HD22 ASN 1 4.731 1.477 5.992 6 H GLU 2 H GLU 2 4.067 -1.199 1.793 7 HA GLU 2 HA GLU 2 2.967 -2.169 4.235 8 HB2 GLU 2 HB2 GLU 2 1.538 -1.259 2.473 9 HB3 GLU 2 HB3 GLU 2 2.021 -2.565 1.401 10 HG2 GLU 2 HG2 GLU 2 1.006 -4.180 2.971 11 HG3 GLU 2 HG3 GLU 2 0.442 -2.825 3.946 12 H LEU 3 H LEU 3 3.262 -4.058 1.249 13 HA LEU 3 HA LEU 3 3.913 -6.363 2.930 14 HB2 LEU 3 HB2 LEU 3 2.878 -6.271 0.101 15 HB3 LEU 3 HB3 LEU 3 3.296 -7.737 0.963 16 HG LEU 3 HG LEU 3 1.047 -5.839 1.617 17 HD11 LEU 3 HD11 LEU 3 1.088 -8.692 0.664 18 HD12 LEU 3 HD12 LEU 3 0.613 -7.279 -0.278 19 HD13 LEU 3 HD13 LEU 3 -0.352 -7.779 1.111 20 HD21 LEU 3 HD21 LEU 3 2.009 -6.674 3.684 21 HD22 LEU 3 HD22 LEU 3 1.958 -8.324 3.065 22 HD23 LEU 3 HD23 LEU 3 0.457 -7.454 3.379 23 H ARG 4 H ARG 4 5.662 -7.576 2.612 24 HA ARG 4 HA ARG 4 7.548 -6.709 0.553 25 HB2 ARG 4 HB2 ARG 4 7.958 -7.016 3.473 26 HB3 ARG 4 HB3 ARG 4 9.282 -7.396 2.379 27 HG2 ARG 4 HG2 ARG 4 9.300 -5.211 1.504 28 HG3 ARG 4 HG3 ARG 4 7.797 -4.795 2.342 29 HD2 ARG 4 HD2 ARG 4 8.854 -4.921 4.448 30 HD3 ARG 4 HD3 ARG 4 10.304 -5.638 3.743 31 HE ARG 4 HE ARG 4 9.631 -3.017 2.725 32 HH11 ARG 4 HH11 ARG 4 11.432 -4.810 5.142 33 HH12 ARG 4 HH12 ARG 4 12.579 -3.549 5.422 34 HH21 ARG 4 HH21 ARG 4 11.153 -1.329 3.095 35 HH22 ARG 4 HH22 ARG 4 12.414 -1.550 4.257 36 H CYS 5 H CYS 5 9.146 -8.275 0.021 37 HA CYS 5 HA CYS 5 7.963 -10.820 -0.357 38 HB2 CYS 5 HB2 CYS 5 9.535 -9.582 -1.931 39 HB3 CYS 5 HB3 CYS 5 10.836 -10.091 -0.855 40 H GLY 6 H GLY 6 8.356 -12.709 0.657 41 HA2 GLY 6 HA2 GLY 6 9.566 -12.642 3.253 42 HA3 GLY 6 HA3 GLY 6 8.881 -14.054 2.463 43 H CYS 7 H CYS 7 10.837 -13.109 0.163 44 HA CYS 7 HA CYS 7 12.853 -15.017 0.778 45 HB2 CYS 7 HB2 CYS 7 11.956 -14.604 -1.501 46 HB3 CYS 7 HB3 CYS 7 12.677 -13.010 -1.490 47 HA PRO 8 HA PRO 8 15.131 -12.089 3.300 48 HB2 PRO 8 HB2 PRO 8 17.292 -13.707 3.755 49 HB3 PRO 8 HB3 PRO 8 15.759 -13.825 4.626 50 HG2 PRO 8 HG2 PRO 8 16.741 -15.435 2.303 51 HG3 PRO 8 HG3 PRO 8 15.914 -15.982 3.774 52 HD2 PRO 8 HD2 PRO 8 14.607 -15.703 1.455 53 HD3 PRO 8 HD3 PRO 8 13.832 -15.309 3.004 54 H ASP 9 H ASP 9 16.398 -13.567 0.419 55 HA ASP 9 HA ASP 9 18.647 -11.675 0.368 56 HB2 ASP 9 HB2 ASP 9 18.128 -14.307 -0.886 57 HB3 ASP 9 HB3 ASP 9 19.055 -13.154 -1.838 58 H CYS 10 H CYS 10 15.685 -11.266 -0.265 59 HA CYS 10 HA CYS 10 16.118 -9.950 -2.835 60 HB2 CYS 10 HB2 CYS 10 15.074 -12.014 -3.366 61 HB3 CYS 10 HB3 CYS 10 13.914 -11.818 -2.062 62 H HIS 11 H HIS 11 15.465 -7.898 -2.811 63 HA HIS 11 HA HIS 11 13.510 -7.065 -0.770 64 HB2 HIS 11 HB2 HIS 11 15.780 -5.497 -2.004 65 HB3 HIS 11 HB3 HIS 11 14.518 -4.775 -1.013 66 HD2 HIS 11 HD2 HIS 11 17.560 -7.223 -0.583 67 HE1 HIS 11 HE1 HIS 11 16.355 -5.836 3.237 68 HE2 HIS 11 HE2 HIS 11 18.076 -7.139 1.952 69 H CYS 12 H CYS 12 11.614 -7.111 -1.795 70 HA CYS 12 HA CYS 12 11.268 -5.287 -4.041 71 HB2 CYS 12 HB2 CYS 12 10.370 -8.187 -4.073 72 HB3 CYS 12 HB3 CYS 12 9.832 -6.979 -5.229 73 H LYS 13 H LYS 13 9.495 -4.035 -3.747 74 HA LYS 13 HA LYS 13 7.758 -4.416 -1.482 75 HB2 LYS 13 HB2 LYS 13 8.494 -2.205 -2.825 76 HB3 LYS 13 HB3 LYS 13 7.030 -2.555 -3.720 77 HG2 LYS 13 HG2 LYS 13 7.179 -2.098 -0.731 78 HG3 LYS 13 HG3 LYS 13 6.690 -0.898 -1.919 79 HD2 LYS 13 HD2 LYS 13 5.250 -3.510 -1.368 80 HD3 LYS 13 HD3 LYS 13 4.764 -1.934 -0.747 81 HE2 LYS 13 HE2 LYS 13 4.981 -2.613 -3.680 82 HE3 LYS 13 HE3 LYS 13 3.487 -2.703 -2.754 83 HZ1 LYS 13 HZ1 LYS 13 5.107 -0.245 -3.115 84 HZ2 LYS 13 HZ2 LYS 13 3.621 -0.361 -2.325 85 HZ3 LYS 13 HZ3 LYS 13 3.715 -0.629 -3.990 86 H VAL 14 H VAL 14 5.949 -5.631 -1.461 87 HA VAL 14 HA VAL 14 5.013 -6.619 -4.059 88 HB VAL 14 HB VAL 14 4.296 -7.835 -1.405 89 HG11 VAL 14 HG11 VAL 14 4.252 -8.734 -4.262 90 HG12 VAL 14 HG12 VAL 14 2.914 -8.642 -3.111 91 HG13 VAL 14 HG13 VAL 14 4.171 -9.867 -2.920 92 HG21 VAL 14 HG21 VAL 14 6.733 -7.781 -1.510 93 HG22 VAL 14 HG22 VAL 14 6.690 -8.510 -3.116 94 HG23 VAL 14 HG23 VAL 14 6.137 -9.428 -1.716 95 H ASP 15 H ASP 15 2.986 -6.367 -4.718 96 HA ASP 15 HA ASP 15 1.337 -4.487 -3.255 97 HB2 ASP 15 HB2 ASP 15 1.044 -5.691 -6.010 98 HB3 ASP 15 HB3 ASP 15 0.009 -4.452 -5.327 99 HA PRO 16 HA PRO 16 -1.113 -7.782 -1.526 100 HB2 PRO 16 HB2 PRO 16 -3.225 -6.256 -0.719 101 HB3 PRO 16 HB3 PRO 16 -1.688 -6.325 0.149 102 HG2 PRO 16 HG2 PRO 16 -2.657 -4.286 -1.816 103 HG3 PRO 16 HG3 PRO 16 -1.842 -4.040 -0.260 104 HD2 PRO 16 HD2 PRO 16 -0.510 -3.872 -2.575 105 HD3 PRO 16 HD3 PRO 16 0.241 -4.570 -1.125 106 H GLU 17 H GLU 17 -2.153 -5.705 -4.082 107 HA GLU 17 HA GLU 17 -4.712 -6.814 -4.497 108 HB2 GLU 17 HB2 GLU 17 -4.482 -5.723 -6.774 109 HB3 GLU 17 HB3 GLU 17 -4.347 -4.655 -5.385 110 HG2 GLU 17 HG2 GLU 17 -1.957 -4.624 -5.590 111 HG3 GLU 17 HG3 GLU 17 -2.020 -5.804 -6.895 112 H ARG 18 H ARG 18 -1.504 -7.710 -5.471 113 HA ARG 18 HA ARG 18 -2.552 -10.107 -6.757 114 HB2 ARG 18 HB2 ARG 18 -0.688 -8.162 -8.133 115 HB3 ARG 18 HB3 ARG 18 -1.122 -9.754 -8.747 116 HG2 ARG 18 HG2 ARG 18 -3.406 -9.099 -9.038 117 HG3 ARG 18 HG3 ARG 18 -3.121 -7.579 -8.183 118 HD2 ARG 18 HD2 ARG 18 -1.796 -8.354 -10.775 119 HD3 ARG 18 HD3 ARG 18 -3.244 -7.358 -10.661 120 HE ARG 18 HE ARG 18 -1.936 -5.677 -9.518 121 HH11 ARG 18 HH11 ARG 18 -0.067 -8.242 -11.064 122 HH12 ARG 18 HH12 ARG 18 1.373 -7.291 -11.167 123 HH21 ARG 18 HH21 ARG 18 -0.007 -4.429 -9.683 124 HH22 ARG 18 HH22 ARG 18 1.411 -5.131 -10.380 125 H VAL 19 H VAL 19 -1.304 -9.877 -4.306 126 HA VAL 19 HA VAL 19 1.510 -10.516 -4.591 127 HB VAL 19 HB VAL 19 0.935 -9.210 -2.643 128 HG11 VAL 19 HG11 VAL 19 -1.385 -9.813 -2.366 129 HG12 VAL 19 HG12 VAL 19 -0.494 -10.099 -0.863 130 HG13 VAL 19 HG13 VAL 19 -0.922 -11.456 -1.904 131 HG21 VAL 19 HG21 VAL 19 1.835 -10.568 -0.854 132 HG22 VAL 19 HG22 VAL 19 2.714 -10.868 -2.355 133 HG23 VAL 19 HG23 VAL 19 1.524 -12.032 -1.782 134 H PHE 20 H PHE 20 2.450 -12.494 -4.376 135 HA PHE 20 HA PHE 20 0.675 -14.779 -4.494 136 HB2 PHE 20 HB2 PHE 20 3.690 -14.611 -4.668 137 HB3 PHE 20 HB3 PHE 20 2.748 -16.084 -4.873 138 HD1 PHE 20 HD1 PHE 20 3.529 -12.833 -6.273 139 HD2 PHE 20 HD2 PHE 20 1.622 -16.547 -6.909 140 HE1 PHE 20 HE1 PHE 20 3.300 -12.286 -8.675 141 HE2 PHE 20 HE2 PHE 20 1.379 -16.035 -9.300 142 HZ PHE 20 HZ PHE 20 2.221 -13.897 -10.185 143 H ASN 21 H ASN 21 -0.075 -15.409 -2.662 144 HA ASN 21 HA ASN 21 1.580 -15.303 -0.272 145 HB2 ASN 21 HB2 ASN 21 -1.357 -15.786 -0.710 146 HB3 ASN 21 HB3 ASN 21 -0.590 -16.169 0.825 147 HD21 ASN 21 HD21 ASN 21 1.263 -13.971 0.790 148 HD22 ASN 21 HD22 ASN 21 0.337 -12.536 1.077 149 H HIS 22 H HIS 22 2.733 -16.932 0.289 150 HA HIS 22 HA HIS 22 1.791 -19.644 -0.297 151 HB2 HIS 22 HB2 HIS 22 3.423 -18.925 -2.041 152 HB3 HIS 22 HB3 HIS 22 4.618 -18.695 -0.769 153 HD2 HIS 22 HD2 HIS 22 5.192 -21.229 0.626 154 HE1 HIS 22 HE1 HIS 22 4.301 -23.487 -2.842 155 HE2 HIS 22 HE2 HIS 22 5.596 -23.414 -0.685 156 H ASP 23 H ASP 23 1.678 -20.703 1.496 157 HA ASP 23 HA ASP 23 2.061 -21.516 3.565 158 HB2 ASP 23 HB2 ASP 23 4.360 -21.903 2.560 159 HB3 ASP 23 HB3 ASP 23 4.869 -20.408 3.335 160 H GLY 24 H GLY 24 1.316 -18.654 3.017 161 HA2 GLY 24 HA2 GLY 24 0.361 -17.211 4.627 162 HA3 GLY 24 HA3 GLY 24 1.533 -17.784 5.801 163 H GLU 25 H GLU 25 3.335 -17.231 3.114 164 HA GLU 25 HA GLU 25 4.024 -14.559 4.101 165 HB2 GLU 25 HB2 GLU 25 5.572 -16.710 2.747 166 HB3 GLU 25 HB3 GLU 25 6.074 -15.045 2.509 167 HG2 GLU 25 HG2 GLU 25 7.338 -15.996 4.288 168 HG3 GLU 25 HG3 GLU 25 6.241 -14.788 4.949 169 H ALA 26 H ALA 26 4.838 -13.020 2.499 170 HA ALA 26 HA ALA 26 3.196 -13.047 0.052 171 HB1 ALA 26 HB1 ALA 26 2.487 -11.290 1.516 172 HB2 ALA 26 HB2 ALA 26 3.417 -10.549 0.212 173 HB3 ALA 26 HB3 ALA 26 4.151 -10.780 1.799 174 H TYR 27 H TYR 27 4.419 -13.373 -1.729 175 HA TYR 27 HA TYR 27 7.155 -12.296 -1.697 176 HB2 TYR 27 HB2 TYR 27 6.107 -14.667 -3.250 177 HB3 TYR 27 HB3 TYR 27 7.762 -14.071 -3.255 178 HD1 TYR 27 HD1 TYR 27 5.196 -15.791 -1.244 179 HD2 TYR 27 HD2 TYR 27 9.282 -14.628 -1.473 180 HE1 TYR 27 HE1 TYR 27 5.725 -17.317 0.600 181 HE2 TYR 27 HE2 TYR 27 9.822 -16.156 0.380 182 HH TYR 27 HH TYR 27 8.582 -17.225 2.319 183 H CYS 28 H CYS 28 7.915 -11.333 -3.645 184 HA CYS 28 HA CYS 28 6.026 -9.737 -4.969 185 HB2 CYS 28 HB2 CYS 28 7.915 -9.125 -6.462 186 HB3 CYS 28 HB3 CYS 28 8.324 -9.022 -4.756 187 H SER 29 H SER 29 7.576 -12.745 -5.853 188 HA SER 29 HA SER 29 5.565 -13.112 -7.934 189 HB2 SER 29 HB2 SER 29 7.285 -14.050 -9.437 190 HB3 SER 29 HB3 SER 29 7.582 -12.347 -9.081 191 HG SER 29 HG SER 29 9.203 -12.927 -7.674 192 H GLN 30 H GLN 30 5.579 -15.494 -8.645 193 HA GLN 30 HA GLN 30 5.345 -17.022 -6.277 194 HB2 GLN 30 HB2 GLN 30 4.707 -18.912 -7.726 195 HB3 GLN 30 HB3 GLN 30 3.797 -17.449 -8.061 196 HG2 GLN 30 HG2 GLN 30 6.199 -18.084 -9.715 197 HG3 GLN 30 HG3 GLN 30 4.694 -18.955 -9.998 198 HE21 GLN 30 HE21 GLN 30 6.365 -15.948 -10.311 199 HE22 GLN 30 HE22 GLN 30 5.142 -15.126 -11.214 200 H ALA 31 H ALA 31 7.959 -16.536 -8.449 201 HA ALA 31 HA ALA 31 9.346 -18.962 -8.226 202 HB1 ALA 31 HB1 ALA 31 10.001 -17.285 -9.830 203 HB2 ALA 31 HB2 ALA 31 11.360 -17.652 -8.766 204 HB3 ALA 31 HB3 ALA 31 10.431 -16.169 -8.533 205 H CYS 32 H CYS 32 9.634 -16.011 -6.264 206 HA CYS 32 HA CYS 32 11.505 -17.085 -4.459 207 HB2 CYS 32 HB2 CYS 32 9.560 -14.795 -4.132 208 HB3 CYS 32 HB3 CYS 32 10.890 -15.146 -3.037 209 H ALA 33 H ALA 33 7.964 -16.918 -4.438 210 HA ALA 33 HA ALA 33 7.477 -17.919 -1.882 211 HB1 ALA 33 HB1 ALA 33 5.276 -18.503 -2.705 212 HB2 ALA 33 HB2 ALA 33 5.833 -18.359 -4.374 213 HB3 ALA 33 HB3 ALA 33 5.765 -16.933 -3.336 214 H GLU 34 H GLU 34 8.259 -19.556 -4.859 215 HA GLU 34 HA GLU 34 7.730 -22.191 -3.838 216 HB2 GLU 34 HB2 GLU 34 8.875 -21.088 -6.378 217 HB3 GLU 34 HB3 GLU 34 8.907 -22.811 -6.044 218 HG2 GLU 34 HG2 GLU 34 6.391 -21.186 -6.003 219 HG3 GLU 34 HG3 GLU 34 7.008 -21.983 -7.450 220 H GLN 35 H GLN 35 10.122 -20.091 -3.156 221 HA GLN 35 HA GLN 35 12.180 -20.251 -2.199 222 HB2 GLN 35 HB2 GLN 35 11.657 -23.228 -2.091 223 HB3 GLN 35 HB3 GLN 35 12.869 -22.350 -1.171 224 HG2 GLN 35 HG2 GLN 35 11.024 -21.110 -0.055 225 HG3 GLN 35 HG3 GLN 35 9.884 -22.143 -0.906 226 HE21 GLN 35 HE21 GLN 35 9.685 -24.276 -0.340 227 HE22 GLN 35 HE22 GLN 35 10.328 -24.917 1.133 228 H HIS 36 H HIS 36 11.744 -20.579 -5.110 229 HA HIS 36 HA HIS 36 12.874 -21.018 -7.039 230 HB2 HIS 36 HB2 HIS 36 15.365 -20.972 -5.323 231 HB3 HIS 36 HB3 HIS 36 15.247 -20.688 -7.060 232 HD1 HIS 36 HD1 HIS 36 15.303 -18.337 -7.680 233 HD2 HIS 36 HD2 HIS 36 13.787 -18.876 -3.856 234 HE1 HIS 36 HE1 HIS 36 14.887 -16.020 -6.792 235 HA PRO 37 HA PRO 37 13.275 -25.497 -5.949 236 HB2 PRO 37 HB2 PRO 37 11.327 -26.366 -7.611 237 HB3 PRO 37 HB3 PRO 37 10.991 -25.776 -5.980 238 HG2 PRO 37 HG2 PRO 37 10.723 -24.360 -8.597 239 HG3 PRO 37 HG3 PRO 37 9.626 -24.357 -7.205 240 HD2 PRO 37 HD2 PRO 37 11.377 -22.341 -7.718 241 HD3 PRO 37 HD3 PRO 37 10.865 -22.778 -6.076 242 H ASN 38 H ASN 38 12.937 -23.858 -9.065 243 HA ASN 38 HA ASN 38 14.625 -25.957 -10.266 244 HB2 ASN 38 HB2 ASN 38 12.640 -24.086 -11.563 245 HB3 ASN 38 HB3 ASN 38 13.710 -25.163 -12.453 246 HD21 ASN 38 HD21 ASN 38 13.513 -27.342 -10.574 247 HD22 ASN 38 HD22 ASN 38 11.935 -28.016 -10.756 248 H GLY 39 H GLY 39 14.647 -22.838 -9.151 249 HA2 GLY 39 HA2 GLY 39 16.620 -21.529 -9.078 250 HA3 GLY 39 HA3 GLY 39 17.172 -22.330 -10.547 251 H GLU 40 H GLU 40 13.999 -20.947 -10.013 252 HA GLU 40 HA GLU 40 14.447 -19.256 -12.312 253 HB2 GLU 40 HB2 GLU 40 12.022 -18.808 -12.176 254 HB3 GLU 40 HB3 GLU 40 12.437 -20.493 -12.421 255 HG2 GLU 40 HG2 GLU 40 11.865 -19.513 -9.644 256 HG3 GLU 40 HG3 GLU 40 10.532 -19.818 -10.749 257 HA PRO 41 HA PRO 41 15.134 -15.673 -9.641 258 HB2 PRO 41 HB2 PRO 41 15.237 -14.189 -12.168 259 HB3 PRO 41 HB3 PRO 41 16.502 -14.402 -10.958 260 HG2 PRO 41 HG2 PRO 41 16.597 -15.566 -13.410 261 HG3 PRO 41 HG3 PRO 41 17.332 -16.287 -11.970 262 HD2 PRO 41 HD2 PRO 41 14.762 -17.004 -13.342 263 HD3 PRO 41 HD3 PRO 41 15.971 -18.039 -12.554 264 H CYS 42 H CYS 42 14.038 -13.527 -9.436 265 HA CYS 42 HA CYS 42 11.251 -13.781 -10.227 266 HB2 CYS 42 HB2 CYS 42 10.772 -12.102 -8.551 267 HB3 CYS 42 HB3 CYS 42 11.875 -13.278 -7.848 268 HA PRO 43 HA PRO 43 11.472 -10.811 -13.495 269 HB2 PRO 43 HB2 PRO 43 9.080 -9.549 -13.329 270 HB3 PRO 43 HB3 PRO 43 9.241 -11.226 -13.862 271 HG2 PRO 43 HG2 PRO 43 8.516 -10.168 -11.154 272 HG3 PRO 43 HG3 PRO 43 7.751 -11.470 -12.084 273 HD2 PRO 43 HD2 PRO 43 9.487 -11.978 -10.096 274 HD3 PRO 43 HD3 PRO 43 9.403 -12.996 -11.548 275 H HIS 44 H HIS 44 12.691 -9.845 -11.015 276 HA HIS 44 HA HIS 44 12.291 -6.962 -11.418 277 HB2 HIS 44 HB2 HIS 44 12.716 -8.492 -8.855 278 HB3 HIS 44 HB3 HIS 44 13.027 -6.763 -8.969 279 HD2 HIS 44 HD2 HIS 44 10.709 -5.165 -9.170 280 HE1 HIS 44 HE1 HIS 44 7.998 -8.306 -8.303 281 HE2 HIS 44 HE2 HIS 44 8.245 -5.850 -8.732 282 HA PRO 45 HA PRO 45 16.699 -7.575 -12.235 283 HB2 PRO 45 HB2 PRO 45 17.130 -5.318 -13.607 284 HB3 PRO 45 HB3 PRO 45 16.236 -6.662 -14.329 285 HG2 PRO 45 HG2 PRO 45 15.199 -4.125 -13.130 286 HG3 PRO 45 HG3 PRO 45 14.668 -4.970 -14.594 287 HD2 PRO 45 HD2 PRO 45 13.407 -5.158 -12.135 288 HD3 PRO 45 HD3 PRO 45 13.288 -6.372 -13.415 289 H ASP 46 H ASP 46 15.168 -5.819 -10.049 290 HA ASP 46 HA ASP 46 17.026 -3.735 -9.449 291 HB2 ASP 46 HB2 ASP 46 14.572 -3.704 -8.898 292 HB3 ASP 46 HB3 ASP 46 14.902 -4.900 -7.650 293 H CYS 47 H CYS 47 16.600 -7.057 -8.478 294 HA CYS 47 HA CYS 47 18.982 -6.803 -6.776 295 HB2 CYS 47 HB2 CYS 47 18.038 -8.375 -5.214 296 HB3 CYS 47 HB3 CYS 47 16.877 -7.073 -5.452 297 H HIS 48 H HIS 48 19.360 -9.429 -6.193 298 HA HIS 48 HA HIS 48 19.163 -11.068 -8.543 299 HB2 HIS 48 HB2 HIS 48 21.220 -9.676 -8.955 300 HB3 HIS 48 HB3 HIS 48 21.912 -10.349 -7.484 301 HD1 HIS 48 HD1 HIS 48 22.703 -12.833 -7.573 302 HD2 HIS 48 HD2 HIS 48 21.230 -11.373 -11.176 303 HE1 HIS 48 HE1 HIS 48 23.410 -14.489 -9.309 304 HE2 HIS 48 HE2 HIS 48 22.324 -13.698 -11.434 305 H CYS 49 H CYS 49 17.843 -11.934 -6.685 306 HA CYS 49 HA CYS 49 19.317 -13.148 -4.535 307 HB2 CYS 49 HB2 CYS 49 17.106 -14.064 -3.873 308 HB3 CYS 49 HB3 CYS 49 17.104 -12.317 -4.072 309 H GLU 50 H GLU 50 18.169 -14.069 -7.654 310 HA GLU 50 HA GLU 50 18.933 -16.849 -7.119 311 HB2 GLU 50 HB2 GLU 50 16.627 -16.642 -7.838 312 HB3 GLU 50 HB3 GLU 50 17.120 -15.720 -9.251 313 HG2 GLU 50 HG2 GLU 50 16.566 -18.007 -9.831 314 HG3 GLU 50 HG3 GLU 50 18.272 -17.675 -10.128 315 H ARG 51 H ARG 51 20.430 -17.833 -8.432 316 HA ARG 51 HA ARG 51 22.053 -16.068 -10.088 317 HB2 ARG 51 HB2 ARG 51 23.665 -17.915 -10.149 318 HB3 ARG 51 HB3 ARG 51 23.243 -17.479 -8.500 319 HG2 ARG 51 HG2 ARG 51 21.948 -19.422 -8.207 320 HG3 ARG 51 HG3 ARG 51 21.921 -19.755 -9.941 321 HD2 ARG 51 HD2 ARG 51 24.283 -20.235 -9.925 322 HD3 ARG 51 HD3 ARG 51 24.396 -19.788 -8.226 323 HE ARG 51 HE ARG 51 23.367 -21.785 -7.633 324 HH11 ARG 51 HH11 ARG 51 23.543 -21.467 -11.129 325 HH12 ARG 51 HH12 ARG 51 23.269 -23.143 -11.429 326 HH21 ARG 51 HH21 ARG 51 22.998 -24.028 -8.036 327 HH22 ARG 51 HH22 ARG 51 22.952 -24.602 -9.669 328 H SER 52 H SER 52 22.867 -16.978 -12.171 329 HA SER 52 HA SER 52 22.502 -17.686 -14.292 330 HB2 SER 52 HB2 SER 52 20.763 -19.808 -13.008 331 HB3 SER 52 HB3 SER 52 21.511 -19.884 -14.604 332 HG SER 52 HG SER 52 23.395 -20.334 -13.723 Start of MODEL 9 1 HA ASN 1 HA ASN 1 0.085 -1.815 0.902 2 HB2 ASN 1 HB2 ASN 1 0.318 -0.408 3.571 3 HB3 ASN 1 HB3 ASN 1 0.406 0.398 2.010 4 HD21 ASN 1 HD21 ASN 1 -1.459 0.783 4.178 5 HD22 ASN 1 HD22 ASN 1 -3.034 0.500 3.526 6 H GLU 2 H GLU 2 2.159 -3.305 2.997 7 HA GLU 2 HA GLU 2 4.459 -2.341 1.523 8 HB2 GLU 2 HB2 GLU 2 5.751 -1.888 3.606 9 HB3 GLU 2 HB3 GLU 2 4.452 -0.741 3.306 10 HG2 GLU 2 HG2 GLU 2 3.119 -1.643 5.010 11 HG3 GLU 2 HG3 GLU 2 4.105 -3.100 5.120 12 H LEU 3 H LEU 3 3.519 -4.769 1.173 13 HA LEU 3 HA LEU 3 4.528 -6.667 3.037 14 HB2 LEU 3 HB2 LEU 3 3.515 -6.927 0.216 15 HB3 LEU 3 HB3 LEU 3 4.170 -8.294 1.094 16 HG LEU 3 HG LEU 3 1.791 -8.405 1.219 17 HD11 LEU 3 HD11 LEU 3 2.828 -7.374 3.850 18 HD12 LEU 3 HD12 LEU 3 2.990 -9.022 3.247 19 HD13 LEU 3 HD13 LEU 3 1.393 -8.369 3.605 20 HD21 LEU 3 HD21 LEU 3 1.182 -6.151 0.703 21 HD22 LEU 3 HD22 LEU 3 1.899 -5.562 2.201 22 HD23 LEU 3 HD23 LEU 3 0.459 -6.580 2.255 23 H ARG 4 H ARG 4 6.556 -6.975 3.388 24 HA ARG 4 HA ARG 4 8.584 -6.322 1.447 25 HB2 ARG 4 HB2 ARG 4 8.519 -6.374 4.183 26 HB3 ARG 4 HB3 ARG 4 9.308 -7.904 3.836 27 HG2 ARG 4 HG2 ARG 4 11.184 -6.686 3.860 28 HG3 ARG 4 HG3 ARG 4 10.695 -6.212 2.230 29 HD2 ARG 4 HD2 ARG 4 11.261 -4.247 3.539 30 HD3 ARG 4 HD3 ARG 4 9.541 -4.256 3.156 31 HE ARG 4 HE ARG 4 10.539 -5.186 5.766 32 HH11 ARG 4 HH11 ARG 4 8.391 -3.102 3.894 33 HH12 ARG 4 HH12 ARG 4 7.579 -2.485 5.293 34 HH21 ARG 4 HH21 ARG 4 9.455 -4.349 7.595 35 HH22 ARG 4 HH22 ARG 4 8.198 -3.175 7.393 36 H CYS 5 H CYS 5 9.590 -7.774 0.117 37 HA CYS 5 HA CYS 5 8.504 -10.288 -0.370 38 HB2 CYS 5 HB2 CYS 5 10.004 -8.954 -1.917 39 HB3 CYS 5 HB3 CYS 5 11.366 -9.527 -0.957 40 H GLY 6 H GLY 6 8.802 -12.258 0.471 41 HA2 GLY 6 HA2 GLY 6 10.136 -12.540 2.972 42 HA3 GLY 6 HA3 GLY 6 9.386 -13.832 2.049 43 H CYS 7 H CYS 7 11.404 -12.528 -0.105 44 HA CYS 7 HA CYS 7 13.372 -14.576 0.289 45 HB2 CYS 7 HB2 CYS 7 12.504 -14.012 -1.955 46 HB3 CYS 7 HB3 CYS 7 13.206 -12.408 -1.808 47 HA PRO 8 HA PRO 8 15.962 -11.885 2.729 48 HB2 PRO 8 HB2 PRO 8 18.085 -13.554 2.955 49 HB3 PRO 8 HB3 PRO 8 16.585 -13.789 3.862 50 HG2 PRO 8 HG2 PRO 8 17.505 -15.126 1.345 51 HG3 PRO 8 HG3 PRO 8 16.732 -15.841 2.772 52 HD2 PRO 8 HD2 PRO 8 15.365 -15.270 0.501 53 HD3 PRO 8 HD3 PRO 8 14.622 -15.187 2.111 54 H ASP 9 H ASP 9 16.805 -13.176 -0.367 55 HA ASP 9 HA ASP 9 19.126 -11.385 -0.551 56 HB2 ASP 9 HB2 ASP 9 18.307 -13.749 -2.247 57 HB3 ASP 9 HB3 ASP 9 19.660 -12.693 -2.631 58 H CYS 10 H CYS 10 16.063 -10.918 -0.930 59 HA CYS 10 HA CYS 10 16.390 -9.289 -3.320 60 HB2 CYS 10 HB2 CYS 10 15.493 -11.276 -4.239 61 HB3 CYS 10 HB3 CYS 10 14.319 -11.430 -2.942 62 H HIS 11 H HIS 11 15.579 -7.308 -3.022 63 HA HIS 11 HA HIS 11 13.522 -6.956 -0.945 64 HB2 HIS 11 HB2 HIS 11 15.709 -5.083 -1.829 65 HB3 HIS 11 HB3 HIS 11 14.335 -4.550 -0.871 66 HD2 HIS 11 HD2 HIS 11 17.644 -6.522 -0.460 67 HE1 HIS 11 HE1 HIS 11 15.829 -6.187 3.357 68 HE2 HIS 11 HE2 HIS 11 17.771 -7.104 2.052 69 H CYS 12 H CYS 12 11.651 -7.003 -2.064 70 HA CYS 12 HA CYS 12 11.264 -4.882 -4.056 71 HB2 CYS 12 HB2 CYS 12 10.315 -7.755 -4.265 72 HB3 CYS 12 HB3 CYS 12 9.661 -6.456 -5.251 73 H LYS 13 H LYS 13 9.315 -3.784 -3.909 74 HA LYS 13 HA LYS 13 7.803 -4.166 -1.461 75 HB2 LYS 13 HB2 LYS 13 8.457 -1.885 -2.372 76 HB3 LYS 13 HB3 LYS 13 7.302 -2.145 -3.666 77 HG2 LYS 13 HG2 LYS 13 6.315 -2.395 -0.867 78 HG3 LYS 13 HG3 LYS 13 6.693 -0.784 -1.468 79 HD2 LYS 13 HD2 LYS 13 5.139 -1.090 -3.324 80 HD3 LYS 13 HD3 LYS 13 4.801 -2.738 -2.794 81 HE2 LYS 13 HE2 LYS 13 3.039 -1.203 -2.101 82 HE3 LYS 13 HE3 LYS 13 3.875 -1.890 -0.710 83 HZ1 LYS 13 HZ1 LYS 13 4.277 0.822 -1.847 84 HZ2 LYS 13 HZ2 LYS 13 5.173 0.177 -0.570 85 HZ3 LYS 13 HZ3 LYS 13 3.518 0.447 -0.385 86 H VAL 14 H VAL 14 6.286 -5.677 -1.425 87 HA VAL 14 HA VAL 14 4.957 -6.385 -3.931 88 HB VAL 14 HB VAL 14 4.616 -7.801 -1.298 89 HG11 VAL 14 HG11 VAL 14 4.165 -9.717 -2.786 90 HG12 VAL 14 HG12 VAL 14 4.295 -8.633 -4.170 91 HG13 VAL 14 HG13 VAL 14 3.018 -8.394 -2.977 92 HG21 VAL 14 HG21 VAL 14 7.010 -7.688 -1.724 93 HG22 VAL 14 HG22 VAL 14 6.763 -8.279 -3.366 94 HG23 VAL 14 HG23 VAL 14 6.416 -9.327 -1.991 95 H ASP 15 H ASP 15 2.828 -6.105 -4.295 96 HA ASP 15 HA ASP 15 1.325 -4.504 -2.388 97 HB2 ASP 15 HB2 ASP 15 1.170 -5.016 -5.295 98 HB3 ASP 15 HB3 ASP 15 -0.375 -4.824 -4.479 99 HA PRO 16 HA PRO 16 -0.826 -8.042 -0.845 100 HB2 PRO 16 HB2 PRO 16 -2.852 -6.764 0.412 101 HB3 PRO 16 HB3 PRO 16 -1.198 -6.770 1.034 102 HG2 PRO 16 HG2 PRO 16 -2.619 -4.659 -0.539 103 HG3 PRO 16 HG3 PRO 16 -1.568 -4.479 0.879 104 HD2 PRO 16 HD2 PRO 16 -0.718 -4.031 -1.652 105 HD3 PRO 16 HD3 PRO 16 0.353 -4.646 -0.378 106 H GLU 17 H GLU 17 -2.037 -5.974 -3.232 107 HA GLU 17 HA GLU 17 -4.660 -7.116 -3.397 108 HB2 GLU 17 HB2 GLU 17 -3.107 -5.362 -5.304 109 HB3 GLU 17 HB3 GLU 17 -4.769 -5.869 -5.562 110 HG2 GLU 17 HG2 GLU 17 -5.438 -4.723 -3.509 111 HG3 GLU 17 HG3 GLU 17 -3.770 -4.214 -3.254 112 H ARG 18 H ARG 18 -1.524 -7.625 -4.871 113 HA ARG 18 HA ARG 18 -2.499 -10.119 -6.045 114 HB2 ARG 18 HB2 ARG 18 -0.762 -8.182 -7.601 115 HB3 ARG 18 HB3 ARG 18 -1.417 -9.707 -8.174 116 HG2 ARG 18 HG2 ARG 18 -3.065 -7.309 -7.418 117 HG3 ARG 18 HG3 ARG 18 -2.590 -7.728 -9.068 118 HD2 ARG 18 HD2 ARG 18 -3.897 -9.706 -9.035 119 HD3 ARG 18 HD3 ARG 18 -4.117 -9.614 -7.287 120 HE ARG 18 HE ARG 18 -5.176 -7.382 -8.782 121 HH11 ARG 18 HH11 ARG 18 -5.843 -10.546 -7.442 122 HH12 ARG 18 HH12 ARG 18 -7.543 -10.275 -7.281 123 HH21 ARG 18 HH21 ARG 18 -7.442 -7.009 -8.563 124 HH22 ARG 18 HH22 ARG 18 -8.448 -8.255 -7.918 125 H VAL 19 H VAL 19 -1.349 -10.824 -4.098 126 HA VAL 19 HA VAL 19 1.562 -10.895 -4.524 127 HB VAL 19 HB VAL 19 1.234 -9.534 -2.588 128 HG11 VAL 19 HG11 VAL 19 -0.034 -10.285 -0.630 129 HG12 VAL 19 HG12 VAL 19 -0.571 -11.702 -1.532 130 HG13 VAL 19 HG13 VAL 19 -1.059 -10.086 -2.053 131 HG21 VAL 19 HG21 VAL 19 3.018 -11.206 -2.413 132 HG22 VAL 19 HG22 VAL 19 1.884 -12.325 -1.658 133 HG23 VAL 19 HG23 VAL 19 2.315 -10.824 -0.842 134 H PHE 20 H PHE 20 2.554 -12.812 -4.460 135 HA PHE 20 HA PHE 20 0.881 -15.162 -4.220 136 HB2 PHE 20 HB2 PHE 20 3.803 -14.876 -4.955 137 HB3 PHE 20 HB3 PHE 20 2.907 -16.390 -4.957 138 HD1 PHE 20 HD1 PHE 20 3.148 -13.085 -6.509 139 HD2 PHE 20 HD2 PHE 20 1.561 -17.001 -6.791 140 HE1 PHE 20 HE1 PHE 20 2.458 -12.625 -8.836 141 HE2 PHE 20 HE2 PHE 20 0.865 -16.566 -9.109 142 HZ PHE 20 HZ PHE 20 1.313 -14.374 -10.135 143 H ASN 21 H ASN 21 0.513 -15.802 -2.276 144 HA ASN 21 HA ASN 21 2.551 -15.518 -0.214 145 HB2 ASN 21 HB2 ASN 21 -0.382 -16.214 -0.045 146 HB3 ASN 21 HB3 ASN 21 0.704 -16.242 1.340 147 HD21 ASN 21 HD21 ASN 21 1.568 -14.295 2.096 148 HD22 ASN 21 HD22 ASN 21 0.837 -12.777 1.723 149 H HIS 22 H HIS 22 3.850 -17.099 0.155 150 HA HIS 22 HA HIS 22 2.870 -19.855 -0.076 151 HB2 HIS 22 HB2 HIS 22 4.168 -19.142 -2.119 152 HB3 HIS 22 HB3 HIS 22 5.570 -18.958 -1.073 153 HD2 HIS 22 HD2 HIS 22 6.322 -21.504 0.187 154 HE1 HIS 22 HE1 HIS 22 4.737 -23.740 -3.048 155 HE2 HIS 22 HE2 HIS 22 6.092 -23.827 -0.927 156 H ASP 23 H ASP 23 3.260 -20.949 1.668 157 HA ASP 23 HA ASP 23 4.080 -21.664 3.640 158 HB2 ASP 23 HB2 ASP 23 6.232 -21.764 2.316 159 HB3 ASP 23 HB3 ASP 23 6.633 -20.179 2.965 160 H GLY 24 H GLY 24 2.876 -18.907 3.217 161 HA2 GLY 24 HA2 GLY 24 1.942 -17.630 4.966 162 HA3 GLY 24 HA3 GLY 24 3.301 -18.063 5.982 163 H GLU 25 H GLU 25 4.637 -17.151 3.088 164 HA GLU 25 HA GLU 25 5.002 -14.414 4.110 165 HB2 GLU 25 HB2 GLU 25 6.821 -16.211 2.561 166 HB3 GLU 25 HB3 GLU 25 7.041 -14.472 2.518 167 HG2 GLU 25 HG2 GLU 25 8.503 -15.289 4.138 168 HG3 GLU 25 HG3 GLU 25 7.170 -14.537 5.012 169 H ALA 26 H ALA 26 5.441 -12.750 2.537 170 HA ALA 26 HA ALA 26 3.734 -12.992 0.152 171 HB1 ALA 26 HB1 ALA 26 4.586 -10.659 1.853 172 HB2 ALA 26 HB2 ALA 26 2.950 -11.271 1.592 173 HB3 ALA 26 HB3 ALA 26 3.812 -10.462 0.285 174 H TYR 27 H TYR 27 4.825 -13.157 -1.735 175 HA TYR 27 HA TYR 27 7.517 -11.971 -1.859 176 HB2 TYR 27 HB2 TYR 27 6.512 -14.389 -3.360 177 HB3 TYR 27 HB3 TYR 27 8.139 -13.728 -3.416 178 HD1 TYR 27 HD1 TYR 27 5.709 -15.564 -1.343 179 HD2 TYR 27 HD2 TYR 27 9.728 -14.218 -1.674 180 HE1 TYR 27 HE1 TYR 27 6.350 -17.072 0.475 181 HE2 TYR 27 HE2 TYR 27 10.384 -15.722 0.153 182 HH TYR 27 HH TYR 27 8.251 -18.139 1.404 183 H CYS 28 H CYS 28 8.158 -11.058 -3.887 184 HA CYS 28 HA CYS 28 6.181 -9.548 -5.181 185 HB2 CYS 28 HB2 CYS 28 8.005 -8.916 -6.743 186 HB3 CYS 28 HB3 CYS 28 8.462 -8.764 -5.052 187 H SER 29 H SER 29 7.334 -12.728 -5.775 188 HA SER 29 HA SER 29 5.449 -13.056 -7.928 189 HB2 SER 29 HB2 SER 29 7.453 -12.213 -9.089 190 HB3 SER 29 HB3 SER 29 8.393 -13.534 -8.398 191 HG SER 29 HG SER 29 6.524 -13.539 -10.451 192 H GLN 30 H GLN 30 5.433 -15.371 -8.674 193 HA GLN 30 HA GLN 30 5.339 -17.032 -6.407 194 HB2 GLN 30 HB2 GLN 30 4.738 -18.867 -7.968 195 HB3 GLN 30 HB3 GLN 30 3.748 -17.435 -8.163 196 HG2 GLN 30 HG2 GLN 30 6.096 -17.690 -9.955 197 HG3 GLN 30 HG3 GLN 30 4.768 -18.818 -10.211 198 HE21 GLN 30 HE21 GLN 30 5.826 -15.536 -10.457 199 HE22 GLN 30 HE22 GLN 30 4.440 -14.933 -11.292 200 H ALA 31 H ALA 31 7.863 -16.396 -8.684 201 HA ALA 31 HA ALA 31 9.304 -18.805 -8.398 202 HB1 ALA 31 HB1 ALA 31 10.451 -16.082 -8.991 203 HB2 ALA 31 HB2 ALA 31 9.757 -17.183 -10.186 204 HB3 ALA 31 HB3 ALA 31 11.208 -17.647 -9.303 205 H CYS 32 H CYS 32 9.685 -15.694 -6.650 206 HA CYS 32 HA CYS 32 11.665 -16.652 -4.878 207 HB2 CYS 32 HB2 CYS 32 9.724 -14.353 -4.733 208 HB3 CYS 32 HB3 CYS 32 10.742 -14.753 -3.357 209 H ALA 33 H ALA 33 8.150 -16.572 -4.734 210 HA ALA 33 HA ALA 33 7.759 -17.472 -2.141 211 HB1 ALA 33 HB1 ALA 33 6.062 -18.085 -4.556 212 HB2 ALA 33 HB2 ALA 33 6.000 -16.587 -3.623 213 HB3 ALA 33 HB3 ALA 33 5.554 -18.115 -2.868 214 H GLU 34 H GLU 34 8.291 -19.267 -5.103 215 HA GLU 34 HA GLU 34 7.993 -21.807 -3.776 216 HB2 GLU 34 HB2 GLU 34 8.632 -20.982 -6.581 217 HB3 GLU 34 HB3 GLU 34 8.626 -22.662 -6.086 218 HG2 GLU 34 HG2 GLU 34 6.264 -22.357 -5.359 219 HG3 GLU 34 HG3 GLU 34 6.323 -20.735 -6.047 220 H GLN 35 H GLN 35 10.342 -19.733 -3.458 221 HA GLN 35 HA GLN 35 12.521 -19.838 -2.833 222 HB2 GLN 35 HB2 GLN 35 12.052 -22.823 -2.718 223 HB3 GLN 35 HB3 GLN 35 13.377 -21.956 -1.954 224 HG2 GLN 35 HG2 GLN 35 11.764 -20.771 -0.533 225 HG3 GLN 35 HG3 GLN 35 10.454 -21.656 -1.301 226 HE21 GLN 35 HE21 GLN 35 10.118 -23.797 -0.801 227 HE22 GLN 35 HE22 GLN 35 10.887 -24.576 0.534 228 H HIS 36 H HIS 36 11.791 -19.965 -5.634 229 HA HIS 36 HA HIS 36 12.701 -20.165 -7.697 230 HB2 HIS 36 HB2 HIS 36 15.337 -20.588 -6.271 231 HB3 HIS 36 HB3 HIS 36 15.118 -20.083 -7.945 232 HD1 HIS 36 HD1 HIS 36 14.887 -17.607 -8.362 233 HD2 HIS 36 HD2 HIS 36 14.516 -18.596 -4.342 234 HE1 HIS 36 HE1 HIS 36 14.933 -15.434 -7.131 235 HA PRO 37 HA PRO 37 12.667 -24.766 -7.376 236 HB2 PRO 37 HB2 PRO 37 10.460 -25.176 -8.861 237 HB3 PRO 37 HB3 PRO 37 10.365 -24.740 -7.149 238 HG2 PRO 37 HG2 PRO 37 10.036 -23.004 -9.566 239 HG3 PRO 37 HG3 PRO 37 9.077 -23.035 -8.077 240 HD2 PRO 37 HD2 PRO 37 11.042 -21.197 -8.570 241 HD3 PRO 37 HD3 PRO 37 10.588 -21.722 -6.937 242 H ASN 38 H ASN 38 12.073 -22.710 -10.195 243 HA ASN 38 HA ASN 38 13.292 -24.706 -11.956 244 HB2 ASN 38 HB2 ASN 38 11.654 -22.235 -12.442 245 HB3 ASN 38 HB3 ASN 38 12.626 -22.931 -13.731 246 HD21 ASN 38 HD21 ASN 38 11.162 -24.968 -11.334 247 HD22 ASN 38 HD22 ASN 38 9.941 -25.632 -12.359 248 H GLY 39 H GLY 39 14.628 -22.798 -9.952 249 HA2 GLY 39 HA2 GLY 39 16.564 -21.567 -9.821 250 HA3 GLY 39 HA3 GLY 39 17.016 -22.344 -11.328 251 H GLU 40 H GLU 40 14.243 -20.278 -10.853 252 HA GLU 40 HA GLU 40 15.490 -18.389 -12.676 253 HB2 GLU 40 HB2 GLU 40 13.208 -17.686 -13.265 254 HB3 GLU 40 HB3 GLU 40 13.538 -19.368 -13.636 255 HG2 GLU 40 HG2 GLU 40 12.348 -20.044 -11.625 256 HG3 GLU 40 HG3 GLU 40 11.998 -18.348 -11.278 257 HA PRO 41 HA PRO 41 15.366 -15.301 -9.443 258 HB2 PRO 41 HB2 PRO 41 15.435 -13.345 -11.637 259 HB3 PRO 41 HB3 PRO 41 16.647 -13.665 -10.395 260 HG2 PRO 41 HG2 PRO 41 17.030 -14.331 -12.978 261 HG3 PRO 41 HG3 PRO 41 17.691 -15.292 -11.643 262 HD2 PRO 41 HD2 PRO 41 15.275 -15.805 -13.336 263 HD3 PRO 41 HD3 PRO 41 16.516 -16.931 -12.747 264 H CYS 42 H CYS 42 14.222 -12.931 -9.368 265 HA CYS 42 HA CYS 42 11.412 -13.467 -9.820 266 HB2 CYS 42 HB2 CYS 42 10.997 -11.530 -8.419 267 HB3 CYS 42 HB3 CYS 42 12.224 -12.524 -7.646 268 HA PRO 43 HA PRO 43 11.061 -10.966 -13.467 269 HB2 PRO 43 HB2 PRO 43 8.569 -9.937 -13.224 270 HB3 PRO 43 HB3 PRO 43 8.863 -11.650 -13.549 271 HG2 PRO 43 HG2 PRO 43 8.244 -10.296 -10.945 272 HG3 PRO 43 HG3 PRO 43 7.566 -11.792 -11.614 273 HD2 PRO 43 HD2 PRO 43 9.519 -11.799 -9.747 274 HD3 PRO 43 HD3 PRO 43 9.402 -13.049 -11.001 275 H HIS 44 H HIS 44 12.600 -9.557 -11.591 276 HA HIS 44 HA HIS 44 11.752 -6.796 -12.111 277 HB2 HIS 44 HB2 HIS 44 12.653 -7.943 -9.467 278 HB3 HIS 44 HB3 HIS 44 12.761 -6.225 -9.822 279 HD2 HIS 44 HD2 HIS 44 10.414 -4.831 -9.567 280 HE1 HIS 44 HE1 HIS 44 7.937 -8.144 -8.662 281 HE2 HIS 44 HE2 HIS 44 8.022 -5.671 -9.081 282 HA PRO 45 HA PRO 45 16.030 -6.774 -13.515 283 HB2 PRO 45 HB2 PRO 45 16.097 -4.277 -14.492 284 HB3 PRO 45 HB3 PRO 45 15.189 -5.559 -15.305 285 HG2 PRO 45 HG2 PRO 45 14.190 -3.400 -13.480 286 HG3 PRO 45 HG3 PRO 45 13.510 -3.967 -15.017 287 HD2 PRO 45 HD2 PRO 45 12.568 -4.776 -12.576 288 HD3 PRO 45 HD3 PRO 45 12.483 -5.772 -14.041 289 H ASP 46 H ASP 46 14.937 -5.648 -10.751 290 HA ASP 46 HA ASP 46 16.815 -3.554 -10.157 291 HB2 ASP 46 HB2 ASP 46 14.608 -3.580 -9.085 292 HB3 ASP 46 HB3 ASP 46 14.991 -5.118 -8.320 293 H CYS 47 H CYS 47 16.567 -6.999 -9.594 294 HA CYS 47 HA CYS 47 19.382 -7.013 -8.885 295 HB2 CYS 47 HB2 CYS 47 19.063 -8.399 -6.940 296 HB3 CYS 47 HB3 CYS 47 18.091 -6.945 -6.751 297 H HIS 48 H HIS 48 19.575 -9.722 -8.284 298 HA HIS 48 HA HIS 48 18.337 -11.158 -10.493 299 HB2 HIS 48 HB2 HIS 48 20.521 -10.103 -11.282 300 HB3 HIS 48 HB3 HIS 48 21.344 -11.149 -10.135 301 HD1 HIS 48 HD1 HIS 48 21.855 -13.495 -10.895 302 HD2 HIS 48 HD2 HIS 48 19.187 -11.535 -13.415 303 HE1 HIS 48 HE1 HIS 48 21.594 -14.987 -12.906 304 HE2 HIS 48 HE2 HIS 48 19.908 -13.821 -14.378 305 H CYS 49 H CYS 49 17.715 -11.465 -7.856 306 HA CYS 49 HA CYS 49 19.347 -13.312 -6.458 307 HB2 CYS 49 HB2 CYS 49 17.542 -13.513 -4.904 308 HB3 CYS 49 HB3 CYS 49 17.579 -11.834 -5.428 309 H GLU 50 H GLU 50 19.307 -15.498 -6.375 310 HA GLU 50 HA GLU 50 17.170 -17.008 -7.444 311 HB2 GLU 50 HB2 GLU 50 18.541 -16.249 -9.489 312 HB3 GLU 50 HB3 GLU 50 19.746 -17.402 -8.927 313 HG2 GLU 50 HG2 GLU 50 17.010 -18.404 -9.091 314 HG3 GLU 50 HG3 GLU 50 17.757 -17.991 -10.628 315 H ARG 51 H ARG 51 17.082 -18.063 -5.665 316 HA ARG 51 HA ARG 51 19.347 -19.049 -4.272 317 HB2 ARG 51 HB2 ARG 51 16.586 -18.638 -3.749 318 HB3 ARG 51 HB3 ARG 51 16.980 -20.307 -3.364 319 HG2 ARG 51 HG2 ARG 51 18.435 -17.900 -2.330 320 HG3 ARG 51 HG3 ARG 51 17.202 -18.805 -1.445 321 HD2 ARG 51 HD2 ARG 51 19.866 -19.846 -2.413 322 HD3 ARG 51 HD3 ARG 51 19.408 -19.528 -0.743 323 HE ARG 51 HE ARG 51 18.520 -21.764 -2.414 324 HH11 ARG 51 HH11 ARG 51 18.396 -20.095 0.680 325 HH12 ARG 51 HH12 ARG 51 17.723 -21.451 1.516 326 HH21 ARG 51 HH21 ARG 51 17.629 -23.547 -1.302 327 HH22 ARG 51 HH22 ARG 51 17.285 -23.418 0.392 328 H SER 52 H SER 52 20.229 -21.004 -4.280 329 HA SER 52 HA SER 52 20.695 -23.146 -4.792 330 HB2 SER 52 HB2 SER 52 17.709 -23.417 -5.204 331 HB3 SER 52 HB3 SER 52 18.853 -24.741 -4.972 332 HG SER 52 HG SER 52 19.026 -24.278 -2.906 Start of MODEL 10 1 HA ASN 1 HA ASN 1 3.555 0.350 5.107 2 HB2 ASN 1 HB2 ASN 1 2.676 -1.564 6.219 3 HB3 ASN 1 HB3 ASN 1 1.739 -0.202 6.819 4 HD21 ASN 1 HD21 ASN 1 -0.431 -0.015 6.228 5 HD22 ASN 1 HD22 ASN 1 -1.306 -1.332 5.526 6 H GLU 2 H GLU 2 4.193 -1.685 4.082 7 HA GLU 2 HA GLU 2 2.669 -2.407 1.706 8 HB2 GLU 2 HB2 GLU 2 4.685 -2.357 0.302 9 HB3 GLU 2 HB3 GLU 2 4.259 -0.761 0.896 10 HG2 GLU 2 HG2 GLU 2 6.001 -0.906 2.582 11 HG3 GLU 2 HG3 GLU 2 6.406 -2.534 2.037 12 H LEU 3 H LEU 3 3.599 -4.416 0.688 13 HA LEU 3 HA LEU 3 4.361 -6.235 2.827 14 HB2 LEU 3 HB2 LEU 3 3.222 -6.682 0.073 15 HB3 LEU 3 HB3 LEU 3 3.823 -7.992 1.064 16 HG LEU 3 HG LEU 3 1.429 -7.913 1.206 17 HD11 LEU 3 HD11 LEU 3 2.612 -8.557 3.223 18 HD12 LEU 3 HD12 LEU 3 1.106 -7.728 3.608 19 HD13 LEU 3 HD13 LEU 3 2.642 -6.877 3.757 20 HD21 LEU 3 HD21 LEU 3 0.234 -5.979 2.156 21 HD22 LEU 3 HD22 LEU 3 1.013 -5.610 0.616 22 HD23 LEU 3 HD23 LEU 3 1.741 -5.061 2.126 23 H ARG 4 H ARG 4 6.384 -6.808 3.033 24 HA ARG 4 HA ARG 4 8.273 -6.340 0.888 25 HB2 ARG 4 HB2 ARG 4 8.479 -7.012 3.779 26 HB3 ARG 4 HB3 ARG 4 9.839 -7.353 2.719 27 HG2 ARG 4 HG2 ARG 4 10.015 -5.062 2.097 28 HG3 ARG 4 HG3 ARG 4 8.547 -4.653 3.009 29 HD2 ARG 4 HD2 ARG 4 10.562 -4.072 4.256 30 HD3 ARG 4 HD3 ARG 4 9.649 -5.348 5.070 31 HE ARG 4 HE ARG 4 11.651 -6.393 3.325 32 HH11 ARG 4 HH11 ARG 4 11.168 -5.039 6.508 33 HH12 ARG 4 HH12 ARG 4 12.515 -5.865 7.208 34 HH21 ARG 4 HH21 ARG 4 13.441 -7.489 4.237 35 HH22 ARG 4 HH22 ARG 4 13.822 -7.251 5.906 36 H CYS 5 H CYS 5 9.464 -7.941 -0.112 37 HA CYS 5 HA CYS 5 8.169 -10.421 -0.443 38 HB2 CYS 5 HB2 CYS 5 9.611 -9.240 -2.152 39 HB3 CYS 5 HB3 CYS 5 11.008 -9.760 -1.212 40 H GLY 6 H GLY 6 8.534 -12.366 0.442 41 HA2 GLY 6 HA2 GLY 6 9.859 -12.526 2.946 42 HA3 GLY 6 HA3 GLY 6 9.190 -13.880 2.048 43 H CYS 7 H CYS 7 11.046 -12.839 -0.236 44 HA CYS 7 HA CYS 7 13.173 -14.652 0.325 45 HB2 CYS 7 HB2 CYS 7 12.188 -14.285 -1.945 46 HB3 CYS 7 HB3 CYS 7 12.875 -12.673 -1.955 47 HA PRO 8 HA PRO 8 15.428 -11.481 2.574 48 HB2 PRO 8 HB2 PRO 8 17.440 -13.036 3.439 49 HB3 PRO 8 HB3 PRO 8 15.807 -13.150 4.106 50 HG2 PRO 8 HG2 PRO 8 17.121 -14.869 2.035 51 HG3 PRO 8 HG3 PRO 8 16.157 -15.357 3.440 52 HD2 PRO 8 HD2 PRO 8 15.130 -15.223 0.936 53 HD3 PRO 8 HD3 PRO 8 14.163 -14.903 2.389 54 H ASP 9 H ASP 9 16.323 -12.910 -0.305 55 HA ASP 9 HA ASP 9 18.832 -11.353 -0.433 56 HB2 ASP 9 HB2 ASP 9 17.955 -13.749 -2.067 57 HB3 ASP 9 HB3 ASP 9 19.422 -12.827 -2.363 58 H CYS 10 H CYS 10 15.790 -10.919 -0.997 59 HA CYS 10 HA CYS 10 16.160 -9.581 -3.571 60 HB2 CYS 10 HB2 CYS 10 15.109 -11.578 -4.187 61 HB3 CYS 10 HB3 CYS 10 14.092 -11.581 -2.758 62 H HIS 11 H HIS 11 15.381 -7.548 -3.601 63 HA HIS 11 HA HIS 11 13.614 -6.672 -1.386 64 HB2 HIS 11 HB2 HIS 11 15.617 -5.066 -2.998 65 HB3 HIS 11 HB3 HIS 11 14.500 -4.381 -1.827 66 HD2 HIS 11 HD2 HIS 11 17.797 -6.460 -1.913 67 HE1 HIS 11 HE1 HIS 11 17.065 -5.251 2.082 68 HE2 HIS 11 HE2 HIS 11 18.620 -6.477 0.536 69 H CYS 12 H CYS 12 11.618 -6.844 -2.227 70 HA CYS 12 HA CYS 12 10.983 -5.128 -4.486 71 HB2 CYS 12 HB2 CYS 12 10.340 -8.086 -4.411 72 HB3 CYS 12 HB3 CYS 12 9.556 -6.950 -5.499 73 H LYS 13 H LYS 13 9.195 -3.983 -4.045 74 HA LYS 13 HA LYS 13 7.625 -4.627 -1.719 75 HB2 LYS 13 HB2 LYS 13 8.137 -2.279 -2.299 76 HB3 LYS 13 HB3 LYS 13 7.192 -2.455 -3.771 77 HG2 LYS 13 HG2 LYS 13 5.643 -3.261 -1.482 78 HG3 LYS 13 HG3 LYS 13 6.285 -1.634 -1.256 79 HD2 LYS 13 HD2 LYS 13 5.383 -1.004 -3.436 80 HD3 LYS 13 HD3 LYS 13 4.703 -2.616 -3.621 81 HE2 LYS 13 HE2 LYS 13 3.322 -2.255 -1.621 82 HE3 LYS 13 HE3 LYS 13 3.985 -0.629 -1.463 83 HZ1 LYS 13 HZ1 LYS 13 3.045 -0.110 -3.657 84 HZ2 LYS 13 HZ2 LYS 13 1.850 -0.544 -2.548 85 HZ3 LYS 13 HZ3 LYS 13 2.337 -1.646 -3.730 86 H VAL 14 H VAL 14 5.917 -5.851 -1.700 87 HA VAL 14 HA VAL 14 4.724 -6.594 -4.267 88 HB VAL 14 HB VAL 14 4.104 -7.922 -1.650 89 HG11 VAL 14 HG11 VAL 14 3.817 -9.879 -3.183 90 HG12 VAL 14 HG12 VAL 14 4.057 -8.770 -4.533 91 HG13 VAL 14 HG13 VAL 14 2.690 -8.549 -3.443 92 HG21 VAL 14 HG21 VAL 14 5.913 -9.534 -2.065 93 HG22 VAL 14 HG22 VAL 14 6.537 -7.909 -1.780 94 HG23 VAL 14 HG23 VAL 14 6.469 -8.552 -3.419 95 H ASP 15 H ASP 15 2.567 -6.388 -4.630 96 HA ASP 15 HA ASP 15 1.260 -4.421 -2.980 97 HB2 ASP 15 HB2 ASP 15 0.688 -5.567 -5.691 98 HB3 ASP 15 HB3 ASP 15 -0.495 -4.595 -4.831 99 HA PRO 16 HA PRO 16 -1.104 -7.396 -0.775 100 HB2 PRO 16 HB2 PRO 16 -3.037 -5.723 0.143 101 HB3 PRO 16 HB3 PRO 16 -1.400 -5.749 0.807 102 HG2 PRO 16 HG2 PRO 16 -2.613 -3.872 -1.178 103 HG3 PRO 16 HG3 PRO 16 -1.545 -3.513 0.191 104 HD2 PRO 16 HD2 PRO 16 -0.656 -3.641 -2.362 105 HD3 PRO 16 HD3 PRO 16 0.352 -4.106 -0.976 106 H GLU 17 H GLU 17 -2.215 -5.611 -3.438 107 HA GLU 17 HA GLU 17 -4.888 -6.614 -3.518 108 HB2 GLU 17 HB2 GLU 17 -3.227 -5.379 -5.721 109 HB3 GLU 17 HB3 GLU 17 -4.974 -5.565 -5.709 110 HG2 GLU 17 HG2 GLU 17 -5.179 -3.983 -3.909 111 HG3 GLU 17 HG3 GLU 17 -3.427 -3.873 -3.759 112 H ARG 18 H ARG 18 -1.750 -7.513 -4.779 113 HA ARG 18 HA ARG 18 -2.792 -10.060 -5.687 114 HB2 ARG 18 HB2 ARG 18 -1.252 -8.226 -7.538 115 HB3 ARG 18 HB3 ARG 18 -1.751 -9.871 -7.900 116 HG2 ARG 18 HG2 ARG 18 -4.070 -9.230 -7.856 117 HG3 ARG 18 HG3 ARG 18 -3.637 -7.605 -7.313 118 HD2 ARG 18 HD2 ARG 18 -2.499 -7.181 -9.398 119 HD3 ARG 18 HD3 ARG 18 -2.803 -8.833 -9.933 120 HE ARG 18 HE ARG 18 -5.271 -7.723 -9.364 121 HH11 ARG 18 HH11 ARG 18 -2.635 -7.091 -11.584 122 HH12 ARG 18 HH12 ARG 18 -3.656 -6.450 -12.822 123 HH21 ARG 18 HH21 ARG 18 -6.638 -6.874 -11.008 124 HH22 ARG 18 HH22 ARG 18 -5.940 -6.327 -12.493 125 H VAL 19 H VAL 19 -1.559 -10.767 -3.903 126 HA VAL 19 HA VAL 19 1.337 -10.847 -4.426 127 HB VAL 19 HB VAL 19 1.116 -9.494 -2.470 128 HG11 VAL 19 HG11 VAL 19 -0.759 -11.591 -1.397 129 HG12 VAL 19 HG12 VAL 19 -1.174 -9.937 -1.868 130 HG13 VAL 19 HG13 VAL 19 -0.126 -10.228 -0.474 131 HG21 VAL 19 HG21 VAL 19 2.841 -11.237 -2.326 132 HG22 VAL 19 HG22 VAL 19 1.680 -12.303 -1.543 133 HG23 VAL 19 HG23 VAL 19 2.187 -10.816 -0.745 134 H PHE 20 H PHE 20 2.287 -12.823 -4.443 135 HA PHE 20 HA PHE 20 0.545 -15.085 -4.193 136 HB2 PHE 20 HB2 PHE 20 3.494 -15.044 -4.786 137 HB3 PHE 20 HB3 PHE 20 2.435 -16.446 -4.903 138 HD1 PHE 20 HD1 PHE 20 3.705 -13.636 -6.454 139 HD2 PHE 20 HD2 PHE 20 0.524 -16.357 -6.579 140 HE1 PHE 20 HE1 PHE 20 3.257 -12.950 -8.808 141 HE2 PHE 20 HE2 PHE 20 0.024 -15.724 -8.908 142 HZ PHE 20 HZ PHE 20 1.394 -14.008 -10.029 143 H ASN 21 H ASN 21 0.109 -15.791 -2.335 144 HA ASN 21 HA ASN 21 2.015 -15.539 -0.140 145 HB2 ASN 21 HB2 ASN 21 -0.945 -16.046 -0.211 146 HB3 ASN 21 HB3 ASN 21 -0.002 -16.363 1.242 147 HD21 ASN 21 HD21 ASN 21 1.828 -14.164 0.859 148 HD22 ASN 21 HD22 ASN 21 0.937 -12.722 1.200 149 H HIS 22 H HIS 22 3.222 -17.117 0.430 150 HA HIS 22 HA HIS 22 2.349 -19.889 -0.037 151 HB2 HIS 22 HB2 HIS 22 3.927 -19.130 -1.792 152 HB3 HIS 22 HB3 HIS 22 5.117 -18.783 -0.546 153 HD2 HIS 22 HD2 HIS 22 5.904 -21.239 0.877 154 HE1 HIS 22 HE1 HIS 22 5.156 -23.616 -2.553 155 HE2 HIS 22 HE2 HIS 22 6.439 -23.434 -0.399 156 H ASP 23 H ASP 23 2.157 -20.792 1.866 157 HA ASP 23 HA ASP 23 2.532 -21.483 3.976 158 HB2 ASP 23 HB2 ASP 23 5.305 -20.898 3.051 159 HB3 ASP 23 HB3 ASP 23 5.045 -21.224 4.761 160 H GLY 24 H GLY 24 1.917 -18.624 3.373 161 HA2 GLY 24 HA2 GLY 24 1.119 -17.095 4.993 162 HA3 GLY 24 HA3 GLY 24 2.324 -17.696 6.117 163 H GLU 25 H GLU 25 3.874 -17.236 3.210 164 HA GLU 25 HA GLU 25 4.769 -14.590 4.094 165 HB2 GLU 25 HB2 GLU 25 6.113 -16.787 2.590 166 HB3 GLU 25 HB3 GLU 25 6.670 -15.133 2.390 167 HG2 GLU 25 HG2 GLU 25 8.027 -16.146 4.027 168 HG3 GLU 25 HG3 GLU 25 6.953 -15.019 4.854 169 H ALA 26 H ALA 26 5.373 -13.036 2.469 170 HA ALA 26 HA ALA 26 3.544 -13.076 0.156 171 HB1 ALA 26 HB1 ALA 26 4.623 -10.825 1.840 172 HB2 ALA 26 HB2 ALA 26 2.940 -11.336 1.668 173 HB3 ALA 26 HB3 ALA 26 3.776 -10.574 0.316 174 H TYR 27 H TYR 27 4.547 -13.258 -1.770 175 HA TYR 27 HA TYR 27 7.253 -12.142 -1.998 176 HB2 TYR 27 HB2 TYR 27 6.190 -14.625 -3.341 177 HB3 TYR 27 HB3 TYR 27 7.798 -13.947 -3.554 178 HD1 TYR 27 HD1 TYR 27 5.579 -15.790 -1.291 179 HD2 TYR 27 HD2 TYR 27 9.499 -14.244 -1.843 180 HE1 TYR 27 HE1 TYR 27 6.381 -17.189 0.552 181 HE2 TYR 27 HE2 TYR 27 10.315 -15.641 0.007 182 HH TYR 27 HH TYR 27 9.398 -16.758 2.013 183 H CYS 28 H CYS 28 7.787 -11.216 -4.014 184 HA CYS 28 HA CYS 28 5.661 -9.827 -5.276 185 HB2 CYS 28 HB2 CYS 28 7.464 -9.011 -6.781 186 HB3 CYS 28 HB3 CYS 28 7.842 -8.824 -5.071 187 H SER 29 H SER 29 7.507 -12.671 -6.048 188 HA SER 29 HA SER 29 5.723 -13.161 -8.306 189 HB2 SER 29 HB2 SER 29 7.821 -12.348 -9.255 190 HB3 SER 29 HB3 SER 29 8.729 -13.531 -8.313 191 HG SER 29 HG SER 29 7.029 -13.917 -10.522 192 H GLN 30 H GLN 30 5.584 -15.383 -8.875 193 HA GLN 30 HA GLN 30 5.182 -17.088 -6.701 194 HB2 GLN 30 HB2 GLN 30 5.616 -17.853 -9.579 195 HB3 GLN 30 HB3 GLN 30 4.821 -18.820 -8.348 196 HG2 GLN 30 HG2 GLN 30 2.877 -17.883 -8.794 197 HG3 GLN 30 HG3 GLN 30 3.552 -16.268 -8.584 198 HE21 GLN 30 HE21 GLN 30 5.514 -16.559 -10.699 199 HE22 GLN 30 HE22 GLN 30 4.642 -16.472 -12.187 200 H ALA 31 H ALA 31 7.880 -16.747 -8.954 201 HA ALA 31 HA ALA 31 9.317 -19.047 -8.429 202 HB1 ALA 31 HB1 ALA 31 9.852 -17.496 -10.230 203 HB2 ALA 31 HB2 ALA 31 11.270 -17.866 -9.248 204 HB3 ALA 31 HB3 ALA 31 10.439 -16.322 -9.049 205 H CYS 32 H CYS 32 9.345 -16.006 -6.619 206 HA CYS 32 HA CYS 32 11.441 -16.820 -4.859 207 HB2 CYS 32 HB2 CYS 32 9.373 -14.634 -4.667 208 HB3 CYS 32 HB3 CYS 32 10.560 -14.927 -3.402 209 H ALA 33 H ALA 33 7.906 -16.805 -4.633 210 HA ALA 33 HA ALA 33 7.642 -17.787 -2.035 211 HB1 ALA 33 HB1 ALA 33 5.405 -18.435 -2.679 212 HB2 ALA 33 HB2 ALA 33 5.824 -18.303 -4.388 213 HB3 ALA 33 HB3 ALA 33 5.794 -16.862 -3.369 214 H GLU 34 H GLU 34 8.224 -19.409 -5.052 215 HA GLU 34 HA GLU 34 7.860 -22.049 -3.965 216 HB2 GLU 34 HB2 GLU 34 8.950 -21.123 -6.612 217 HB3 GLU 34 HB3 GLU 34 8.513 -22.777 -6.214 218 HG2 GLU 34 HG2 GLU 34 6.208 -22.155 -5.961 219 HG3 GLU 34 HG3 GLU 34 6.610 -20.455 -6.189 220 H GLN 35 H GLN 35 10.228 -19.865 -3.537 221 HA GLN 35 HA GLN 35 12.330 -19.955 -2.709 222 HB2 GLN 35 HB2 GLN 35 11.917 -22.946 -2.557 223 HB3 GLN 35 HB3 GLN 35 13.120 -22.007 -1.681 224 HG2 GLN 35 HG2 GLN 35 11.333 -20.846 -0.480 225 HG3 GLN 35 HG3 GLN 35 10.137 -21.791 -1.358 226 HE21 GLN 35 HE21 GLN 35 9.836 -23.942 -0.851 227 HE22 GLN 35 HE22 GLN 35 10.467 -24.651 0.591 228 H HIS 36 H HIS 36 11.701 -20.346 -5.588 229 HA HIS 36 HA HIS 36 12.752 -20.664 -7.578 230 HB2 HIS 36 HB2 HIS 36 15.335 -20.674 -6.014 231 HB3 HIS 36 HB3 HIS 36 15.119 -20.260 -7.713 232 HD1 HIS 36 HD1 HIS 36 14.302 -17.878 -8.245 233 HD2 HIS 36 HD2 HIS 36 14.532 -18.708 -4.183 234 HE1 HIS 36 HE1 HIS 36 14.136 -15.669 -7.090 235 HA PRO 37 HA PRO 37 13.286 -25.165 -6.705 236 HB2 PRO 37 HB2 PRO 37 11.165 -26.048 -8.075 237 HB3 PRO 37 HB3 PRO 37 10.986 -25.362 -6.455 238 HG2 PRO 37 HG2 PRO 37 10.526 -24.068 -9.120 239 HG3 PRO 37 HG3 PRO 37 9.507 -24.013 -7.666 240 HD2 PRO 37 HD2 PRO 37 11.242 -22.015 -8.357 241 HD3 PRO 37 HD3 PRO 37 10.800 -22.377 -6.676 242 H ASN 38 H ASN 38 12.892 -23.274 -9.570 243 HA ASN 38 HA ASN 38 14.197 -25.376 -11.167 244 HB2 ASN 38 HB2 ASN 38 12.297 -23.201 -12.051 245 HB3 ASN 38 HB3 ASN 38 13.150 -24.289 -13.143 246 HD21 ASN 38 HD21 ASN 38 12.631 -26.472 -13.116 247 HD22 ASN 38 HD22 ASN 38 11.125 -27.041 -12.491 248 H GLY 39 H GLY 39 15.220 -23.025 -9.465 249 HA2 GLY 39 HA2 GLY 39 16.881 -21.441 -9.575 250 HA3 GLY 39 HA3 GLY 39 17.422 -22.278 -11.020 251 H GLU 40 H GLU 40 14.382 -20.644 -10.442 252 HA GLU 40 HA GLU 40 15.015 -18.854 -12.652 253 HB2 GLU 40 HB2 GLU 40 12.495 -18.581 -12.781 254 HB3 GLU 40 HB3 GLU 40 13.161 -20.124 -13.293 255 HG2 GLU 40 HG2 GLU 40 12.569 -21.080 -11.102 256 HG3 GLU 40 HG3 GLU 40 11.839 -19.537 -10.653 257 HA PRO 41 HA PRO 41 14.880 -15.637 -9.537 258 HB2 PRO 41 HB2 PRO 41 15.663 -13.641 -11.187 259 HB3 PRO 41 HB3 PRO 41 16.800 -14.827 -10.536 260 HG2 PRO 41 HG2 PRO 41 15.516 -14.721 -13.238 261 HG3 PRO 41 HG3 PRO 41 17.193 -15.109 -12.813 262 HD2 PRO 41 HD2 PRO 41 15.315 -17.004 -13.388 263 HD3 PRO 41 HD3 PRO 41 16.684 -17.294 -12.295 264 H CYS 42 H CYS 42 13.735 -13.446 -9.438 265 HA CYS 42 HA CYS 42 11.141 -13.727 -10.686 266 HB2 CYS 42 HB2 CYS 42 10.423 -11.925 -9.192 267 HB3 CYS 42 HB3 CYS 42 11.317 -13.124 -8.273 268 HA PRO 43 HA PRO 43 11.815 -10.819 -13.934 269 HB2 PRO 43 HB2 PRO 43 9.408 -9.637 -14.219 270 HB3 PRO 43 HB3 PRO 43 9.673 -11.337 -14.625 271 HG2 PRO 43 HG2 PRO 43 8.495 -10.150 -12.140 272 HG3 PRO 43 HG3 PRO 43 7.921 -11.528 -13.097 273 HD2 PRO 43 HD2 PRO 43 9.346 -11.828 -10.819 274 HD3 PRO 43 HD3 PRO 43 9.454 -12.975 -12.166 275 H HIS 44 H HIS 44 12.781 -9.808 -11.499 276 HA HIS 44 HA HIS 44 12.263 -6.947 -11.876 277 HB2 HIS 44 HB2 HIS 44 12.426 -8.468 -9.273 278 HB3 HIS 44 HB3 HIS 44 12.752 -6.743 -9.351 279 HD2 HIS 44 HD2 HIS 44 10.428 -5.195 -10.209 280 HE1 HIS 44 HE1 HIS 44 7.703 -8.177 -8.916 281 HE2 HIS 44 HE2 HIS 44 8.040 -5.732 -9.383 282 HA PRO 45 HA PRO 45 16.758 -7.356 -12.294 283 HB2 PRO 45 HB2 PRO 45 17.160 -5.093 -13.669 284 HB3 PRO 45 HB3 PRO 45 16.451 -6.518 -14.438 285 HG2 PRO 45 HG2 PRO 45 15.101 -4.063 -13.394 286 HG3 PRO 45 HG3 PRO 45 14.799 -4.950 -14.899 287 HD2 PRO 45 HD2 PRO 45 13.291 -5.224 -12.623 288 HD3 PRO 45 HD3 PRO 45 13.459 -6.490 -13.859 289 H ASP 46 H ASP 46 15.009 -5.813 -10.196 290 HA ASP 46 HA ASP 46 16.761 -3.660 -9.391 291 HB2 ASP 46 HB2 ASP 46 14.346 -4.906 -8.061 292 HB3 ASP 46 HB3 ASP 46 15.211 -3.508 -7.431 293 H CYS 47 H CYS 47 16.729 -6.965 -9.120 294 HA CYS 47 HA CYS 47 18.673 -6.924 -6.953 295 HB2 CYS 47 HB2 CYS 47 17.519 -8.801 -5.843 296 HB3 CYS 47 HB3 CYS 47 16.536 -7.337 -5.853 297 H HIS 48 H HIS 48 19.456 -9.310 -6.685 298 HA HIS 48 HA HIS 48 19.391 -10.757 -9.214 299 HB2 HIS 48 HB2 HIS 48 21.445 -9.283 -9.141 300 HB3 HIS 48 HB3 HIS 48 21.978 -10.201 -7.739 301 HD1 HIS 48 HD1 HIS 48 23.377 -12.201 -8.228 302 HD2 HIS 48 HD2 HIS 48 21.148 -11.011 -11.529 303 HE1 HIS 48 HE1 HIS 48 24.096 -13.709 -10.111 304 HE2 HIS 48 HE2 HIS 48 22.646 -13.045 -12.064 305 H CYS 49 H CYS 49 17.883 -11.519 -7.172 306 HA CYS 49 HA CYS 49 19.257 -13.289 -5.389 307 HB2 CYS 49 HB2 CYS 49 17.024 -13.970 -4.663 308 HB3 CYS 49 HB3 CYS 49 17.128 -12.216 -4.753 309 H GLU 50 H GLU 50 18.024 -15.619 -5.340 310 HA GLU 50 HA GLU 50 17.745 -17.645 -6.262 311 HB2 GLU 50 HB2 GLU 50 16.224 -16.619 -7.847 312 HB3 GLU 50 HB3 GLU 50 17.566 -16.160 -8.880 313 HG2 GLU 50 HG2 GLU 50 17.123 -19.029 -8.219 314 HG3 GLU 50 HG3 GLU 50 16.119 -18.243 -9.431 315 H ARG 51 H ARG 51 19.561 -18.776 -5.952 316 HA ARG 51 HA ARG 51 21.901 -18.175 -7.561 317 HB2 ARG 51 HB2 ARG 51 23.169 -19.613 -6.079 318 HB3 ARG 51 HB3 ARG 51 22.265 -18.442 -5.138 319 HG2 ARG 51 HG2 ARG 51 22.008 -20.389 -3.920 320 HG3 ARG 51 HG3 ARG 51 20.530 -20.351 -4.883 321 HD2 ARG 51 HD2 ARG 51 21.621 -21.866 -6.525 322 HD3 ARG 51 HD3 ARG 51 23.021 -21.962 -5.457 323 HE ARG 51 HE ARG 51 21.711 -23.148 -3.882 324 HH11 ARG 51 HH11 ARG 51 20.004 -22.516 -6.902 325 HH12 ARG 51 HH12 ARG 51 18.844 -23.775 -6.642 326 HH21 ARG 51 HH21 ARG 51 20.148 -24.802 -3.548 327 HH22 ARG 51 HH22 ARG 51 18.919 -25.062 -4.736 328 H SER 52 H SER 52 22.846 -19.628 -8.916 329 HA SER 52 HA SER 52 21.269 -22.037 -9.497 330 HB2 SER 52 HB2 SER 52 22.312 -19.913 -11.270 331 HB3 SER 52 HB3 SER 52 22.271 -21.564 -11.903 332 HG SER 52 HG SER 52 20.005 -20.324 -10.684 Start of MODEL 11 1 HA ASN 1 HA ASN 1 6.904 -0.625 1.535 2 HB2 ASN 1 HB2 ASN 1 5.768 1.621 1.334 3 HB3 ASN 1 HB3 ASN 1 4.723 1.149 2.669 4 HD21 ASN 1 HD21 ASN 1 7.888 2.157 1.723 5 HD22 ASN 1 HD22 ASN 1 8.503 2.421 3.314 6 H GLU 2 H GLU 2 3.844 -1.847 2.253 7 HA GLU 2 HA GLU 2 4.560 -2.538 4.992 8 HB2 GLU 2 HB2 GLU 2 2.214 -3.332 5.168 9 HB3 GLU 2 HB3 GLU 2 2.351 -1.635 4.737 10 HG2 GLU 2 HG2 GLU 2 1.979 -2.280 2.362 11 HG3 GLU 2 HG3 GLU 2 1.678 -3.927 2.912 12 H LEU 3 H LEU 3 4.135 -4.018 1.852 13 HA LEU 3 HA LEU 3 4.502 -6.662 3.053 14 HB2 LEU 3 HB2 LEU 3 3.729 -5.898 0.245 15 HB3 LEU 3 HB3 LEU 3 3.974 -7.542 0.797 16 HG LEU 3 HG LEU 3 1.813 -5.643 1.702 17 HD11 LEU 3 HD11 LEU 3 1.447 -6.603 -0.494 18 HD12 LEU 3 HD12 LEU 3 0.328 -7.284 0.686 19 HD13 LEU 3 HD13 LEU 3 1.724 -8.220 0.151 20 HD21 LEU 3 HD21 LEU 3 2.552 -6.993 3.582 21 HD22 LEU 3 HD22 LEU 3 2.422 -8.456 2.607 22 HD23 LEU 3 HD23 LEU 3 0.973 -7.540 3.021 23 H ARG 4 H ARG 4 6.371 -7.593 3.064 24 HA ARG 4 HA ARG 4 8.483 -6.677 1.225 25 HB2 ARG 4 HB2 ARG 4 8.450 -6.929 4.035 26 HB3 ARG 4 HB3 ARG 4 9.410 -8.274 3.447 27 HG2 ARG 4 HG2 ARG 4 10.955 -6.587 3.834 28 HG3 ARG 4 HG3 ARG 4 10.687 -6.534 2.092 29 HD2 ARG 4 HD2 ARG 4 10.702 -4.290 2.995 30 HD3 ARG 4 HD3 ARG 4 9.092 -4.696 2.407 31 HE ARG 4 HE ARG 4 9.051 -5.320 5.072 32 HH11 ARG 4 HH11 ARG 4 9.726 -2.453 3.182 33 HH12 ARG 4 HH12 ARG 4 9.177 -1.358 4.402 34 HH21 ARG 4 HH21 ARG 4 8.335 -3.861 6.710 35 HH22 ARG 4 HH22 ARG 4 8.376 -2.160 6.406 36 H CYS 5 H CYS 5 9.515 -8.255 -0.017 37 HA CYS 5 HA CYS 5 8.247 -10.734 -0.415 38 HB2 CYS 5 HB2 CYS 5 9.767 -9.599 -2.088 39 HB3 CYS 5 HB3 CYS 5 11.130 -10.097 -1.088 40 H GLY 6 H GLY 6 8.629 -12.743 0.383 41 HA2 GLY 6 HA2 GLY 6 9.986 -12.863 2.925 42 HA3 GLY 6 HA3 GLY 6 9.069 -14.155 2.168 43 H CYS 7 H CYS 7 11.420 -12.758 0.131 44 HA CYS 7 HA CYS 7 13.041 -15.141 0.384 45 HB2 CYS 7 HB2 CYS 7 12.376 -14.345 -1.875 46 HB3 CYS 7 HB3 CYS 7 13.267 -12.856 -1.593 47 HA PRO 8 HA PRO 8 15.827 -12.968 3.080 48 HB2 PRO 8 HB2 PRO 8 17.792 -14.844 3.125 49 HB3 PRO 8 HB3 PRO 8 16.280 -15.017 4.024 50 HG2 PRO 8 HG2 PRO 8 17.057 -16.193 1.381 51 HG3 PRO 8 HG3 PRO 8 16.224 -16.962 2.745 52 HD2 PRO 8 HD2 PRO 8 14.905 -16.068 0.568 53 HD3 PRO 8 HD3 PRO 8 14.187 -16.027 2.191 54 H ASP 9 H ASP 9 16.404 -13.784 -0.173 55 HA ASP 9 HA ASP 9 18.880 -12.185 -0.200 56 HB2 ASP 9 HB2 ASP 9 18.009 -14.349 -2.128 57 HB3 ASP 9 HB3 ASP 9 19.466 -13.377 -2.284 58 H CYS 10 H CYS 10 15.716 -11.887 -0.743 59 HA CYS 10 HA CYS 10 16.128 -9.861 -2.781 60 HB2 CYS 10 HB2 CYS 10 15.567 -11.559 -4.248 61 HB3 CYS 10 HB3 CYS 10 14.436 -12.300 -3.121 62 H HIS 11 H HIS 11 15.247 -8.092 -1.974 63 HA HIS 11 HA HIS 11 12.684 -8.380 -0.586 64 HB2 HIS 11 HB2 HIS 11 14.795 -6.252 -0.190 65 HB3 HIS 11 HB3 HIS 11 13.208 -6.246 0.574 66 HD2 HIS 11 HD2 HIS 11 12.862 -8.202 2.614 67 HE1 HIS 11 HE1 HIS 11 16.966 -9.248 2.802 68 HE2 HIS 11 HE2 HIS 11 14.753 -9.303 3.995 69 H CYS 12 H CYS 12 11.274 -8.112 -2.232 70 HA CYS 12 HA CYS 12 11.420 -5.576 -3.718 71 HB2 CYS 12 HB2 CYS 12 10.108 -8.217 -4.414 72 HB3 CYS 12 HB3 CYS 12 9.770 -6.738 -5.298 73 H LYS 13 H LYS 13 9.540 -4.255 -3.793 74 HA LYS 13 HA LYS 13 7.815 -4.540 -1.506 75 HB2 LYS 13 HB2 LYS 13 8.607 -2.299 -2.317 76 HB3 LYS 13 HB3 LYS 13 7.636 -2.513 -3.762 77 HG2 LYS 13 HG2 LYS 13 6.321 -2.631 -1.066 78 HG3 LYS 13 HG3 LYS 13 6.738 -1.069 -1.768 79 HD2 LYS 13 HD2 LYS 13 5.394 -1.616 -3.760 80 HD3 LYS 13 HD3 LYS 13 4.984 -3.178 -3.054 81 HE2 LYS 13 HE2 LYS 13 3.833 -2.061 -1.225 82 HE3 LYS 13 HE3 LYS 13 4.288 -0.489 -1.880 83 HZ1 LYS 13 HZ1 LYS 13 2.018 -1.077 -2.472 84 HZ2 LYS 13 HZ2 LYS 13 2.560 -2.482 -3.245 85 HZ3 LYS 13 HZ3 LYS 13 2.985 -0.973 -3.854 86 H VAL 14 H VAL 14 6.259 -5.952 -1.530 87 HA VAL 14 HA VAL 14 5.039 -6.753 -4.033 88 HB VAL 14 HB VAL 14 4.211 -7.768 -1.329 89 HG11 VAL 14 HG11 VAL 14 2.895 -8.449 -3.238 90 HG12 VAL 14 HG12 VAL 14 3.799 -9.820 -2.592 91 HG13 VAL 14 HG13 VAL 14 4.348 -9.016 -4.060 92 HG21 VAL 14 HG21 VAL 14 6.647 -7.883 -1.335 93 HG22 VAL 14 HG22 VAL 14 6.617 -8.694 -2.901 94 HG23 VAL 14 HG23 VAL 14 5.950 -9.498 -1.480 95 H ASP 15 H ASP 15 2.737 -6.643 -4.384 96 HA ASP 15 HA ASP 15 1.539 -4.355 -3.007 97 HB2 ASP 15 HB2 ASP 15 1.675 -4.669 -5.636 98 HB3 ASP 15 HB3 ASP 15 0.260 -5.667 -5.317 99 HA PRO 16 HA PRO 16 -1.148 -7.048 -0.764 100 HB2 PRO 16 HB2 PRO 16 -3.054 -5.190 -0.137 101 HB3 PRO 16 HB3 PRO 16 -1.507 -5.336 0.706 102 HG2 PRO 16 HG2 PRO 16 -2.306 -3.454 -1.476 103 HG3 PRO 16 HG3 PRO 16 -1.371 -3.128 -0.002 104 HD2 PRO 16 HD2 PRO 16 -0.221 -3.435 -2.412 105 HD3 PRO 16 HD3 PRO 16 0.585 -3.985 -0.935 106 H GLU 17 H GLU 17 -2.188 -5.199 -3.576 107 HA GLU 17 HA GLU 17 -4.783 -6.431 -3.675 108 HB2 GLU 17 HB2 GLU 17 -3.242 -4.765 -5.668 109 HB3 GLU 17 HB3 GLU 17 -4.816 -5.453 -6.025 110 HG2 GLU 17 HG2 GLU 17 -5.758 -4.187 -4.126 111 HG3 GLU 17 HG3 GLU 17 -4.180 -3.448 -3.873 112 H ARG 18 H ARG 18 -1.605 -7.037 -5.051 113 HA ARG 18 HA ARG 18 -2.639 -9.530 -6.166 114 HB2 ARG 18 HB2 ARG 18 -0.862 -7.649 -7.734 115 HB3 ARG 18 HB3 ARG 18 -1.452 -9.211 -8.273 116 HG2 ARG 18 HG2 ARG 18 -3.147 -6.778 -7.711 117 HG3 ARG 18 HG3 ARG 18 -2.683 -7.366 -9.310 118 HD2 ARG 18 HD2 ARG 18 -4.511 -8.679 -7.295 119 HD3 ARG 18 HD3 ARG 18 -4.915 -8.130 -8.921 120 HE ARG 18 HE ARG 18 -3.330 -9.938 -9.688 121 HH11 ARG 18 HH11 ARG 18 -5.092 -10.192 -6.662 122 HH12 ARG 18 HH12 ARG 18 -5.047 -11.917 -6.629 123 HH21 ARG 18 HH21 ARG 18 -3.260 -12.220 -9.647 124 HH22 ARG 18 HH22 ARG 18 -3.993 -13.086 -8.338 125 H VAL 19 H VAL 19 -1.586 -10.387 -4.313 126 HA VAL 19 HA VAL 19 1.328 -10.682 -4.673 127 HB VAL 19 HB VAL 19 1.092 -9.426 -2.657 128 HG11 VAL 19 HG11 VAL 19 -1.266 -9.714 -2.230 129 HG12 VAL 19 HG12 VAL 19 -0.343 -10.157 -0.790 130 HG13 VAL 19 HG13 VAL 19 -1.014 -11.415 -1.828 131 HG21 VAL 19 HG21 VAL 19 2.646 -11.339 -2.533 132 HG22 VAL 19 HG22 VAL 19 1.352 -12.318 -1.846 133 HG23 VAL 19 HG23 VAL 19 1.960 -10.919 -0.964 134 H PHE 20 H PHE 20 2.135 -12.733 -4.710 135 HA PHE 20 HA PHE 20 0.213 -14.875 -4.625 136 HB2 PHE 20 HB2 PHE 20 3.190 -15.050 -5.046 137 HB3 PHE 20 HB3 PHE 20 2.025 -16.346 -5.297 138 HD1 PHE 20 HD1 PHE 20 3.615 -13.559 -6.598 139 HD2 PHE 20 HD2 PHE 20 0.307 -16.073 -7.134 140 HE1 PHE 20 HE1 PHE 20 3.421 -12.750 -8.946 141 HE2 PHE 20 HE2 PHE 20 0.056 -15.315 -9.463 142 HZ PHE 20 HZ PHE 20 1.620 -13.638 -10.377 143 H ASN 21 H ASN 21 -0.354 -15.541 -2.763 144 HA ASN 21 HA ASN 21 1.417 -15.325 -0.465 145 HB2 ASN 21 HB2 ASN 21 -0.974 -14.619 -0.304 146 HB3 ASN 21 HB3 ASN 21 -1.445 -16.300 -0.536 147 HD21 ASN 21 HD21 ASN 21 -0.092 -13.980 1.632 148 HD22 ASN 21 HD22 ASN 21 -0.134 -14.970 3.050 149 H HIS 22 H HIS 22 2.662 -16.918 0.132 150 HA HIS 22 HA HIS 22 1.773 -19.679 -0.364 151 HB2 HIS 22 HB2 HIS 22 3.499 -19.015 -2.001 152 HB3 HIS 22 HB3 HIS 22 4.598 -18.654 -0.676 153 HD2 HIS 22 HD2 HIS 22 5.176 -21.075 0.908 154 HE1 HIS 22 HE1 HIS 22 4.633 -23.582 -2.467 155 HE2 HIS 22 HE2 HIS 22 5.649 -23.382 -0.169 156 H ASP 23 H ASP 23 1.417 -20.583 1.486 157 HA ASP 23 HA ASP 23 1.598 -21.301 3.613 158 HB2 ASP 23 HB2 ASP 23 3.896 -21.952 2.690 159 HB3 ASP 23 HB3 ASP 23 4.517 -20.538 3.536 160 H GLY 24 H GLY 24 1.171 -18.403 2.986 161 HA2 GLY 24 HA2 GLY 24 0.340 -16.837 4.544 162 HA3 GLY 24 HA3 GLY 24 1.434 -17.488 5.749 163 H GLU 25 H GLU 25 3.305 -17.154 3.056 164 HA GLU 25 HA GLU 25 4.172 -14.516 3.981 165 HB2 GLU 25 HB2 GLU 25 5.597 -16.772 2.646 166 HB3 GLU 25 HB3 GLU 25 6.212 -15.138 2.460 167 HG2 GLU 25 HG2 GLU 25 7.399 -16.068 4.241 168 HG3 GLU 25 HG3 GLU 25 6.211 -14.988 4.968 169 H ALA 26 H ALA 26 4.782 -12.905 2.516 170 HA ALA 26 HA ALA 26 3.237 -12.956 0.020 171 HB1 ALA 26 HB1 ALA 26 4.246 -10.704 1.752 172 HB2 ALA 26 HB2 ALA 26 2.568 -11.197 1.506 173 HB3 ALA 26 HB3 ALA 26 3.478 -10.465 0.184 174 H TYR 27 H TYR 27 4.460 -13.388 -1.738 175 HA TYR 27 HA TYR 27 7.216 -12.366 -1.752 176 HB2 TYR 27 HB2 TYR 27 6.049 -14.721 -3.239 177 HB3 TYR 27 HB3 TYR 27 7.706 -14.152 -3.376 178 HD1 TYR 27 HD1 TYR 27 5.281 -15.869 -1.216 179 HD2 TYR 27 HD2 TYR 27 9.323 -14.622 -1.643 180 HE1 TYR 27 HE1 TYR 27 5.927 -17.365 0.614 181 HE2 TYR 27 HE2 TYR 27 9.983 -16.113 0.191 182 HH TYR 27 HH TYR 27 8.953 -17.203 2.138 183 H CYS 28 H CYS 28 8.003 -11.479 -3.727 184 HA CYS 28 HA CYS 28 6.111 -9.888 -5.108 185 HB2 CYS 28 HB2 CYS 28 7.994 -9.118 -6.423 186 HB3 CYS 28 HB3 CYS 28 8.470 -9.232 -4.733 187 H SER 29 H SER 29 7.565 -12.975 -5.685 188 HA SER 29 HA SER 29 6.031 -13.217 -8.160 189 HB2 SER 29 HB2 SER 29 7.943 -14.407 -9.166 190 HB3 SER 29 HB3 SER 29 8.307 -12.722 -8.786 191 HG SER 29 HG SER 29 9.640 -13.332 -7.210 192 H GLN 30 H GLN 30 6.068 -15.551 -8.891 193 HA GLN 30 HA GLN 30 5.126 -17.178 -6.722 194 HB2 GLN 30 HB2 GLN 30 5.519 -17.882 -9.623 195 HB3 GLN 30 HB3 GLN 30 4.553 -18.763 -8.451 196 HG2 GLN 30 HG2 GLN 30 2.804 -17.437 -8.726 197 HG3 GLN 30 HG3 GLN 30 3.793 -15.977 -8.722 198 HE21 GLN 30 HE21 GLN 30 5.504 -16.833 -10.883 199 HE22 GLN 30 HE22 GLN 30 4.551 -16.742 -12.327 200 H ALA 31 H ALA 31 7.943 -17.020 -8.834 201 HA ALA 31 HA ALA 31 9.099 -19.488 -8.192 202 HB1 ALA 31 HB1 ALA 31 10.503 -16.923 -8.955 203 HB2 ALA 31 HB2 ALA 31 9.870 -18.132 -10.076 204 HB3 ALA 31 HB3 ALA 31 11.201 -18.544 -9.001 205 H CYS 32 H CYS 32 9.370 -16.315 -6.653 206 HA CYS 32 HA CYS 32 11.260 -17.165 -4.700 207 HB2 CYS 32 HB2 CYS 32 9.418 -14.800 -4.889 208 HB3 CYS 32 HB3 CYS 32 10.259 -15.133 -3.380 209 H ALA 33 H ALA 33 7.718 -16.974 -4.708 210 HA ALA 33 HA ALA 33 7.258 -17.783 -2.091 211 HB1 ALA 33 HB1 ALA 33 5.547 -16.890 -3.649 212 HB2 ALA 33 HB2 ALA 33 5.044 -18.331 -2.772 213 HB3 ALA 33 HB3 ALA 33 5.530 -18.458 -4.466 214 H GLU 34 H GLU 34 7.916 -19.711 -4.955 215 HA GLU 34 HA GLU 34 7.497 -22.180 -3.501 216 HB2 GLU 34 HB2 GLU 34 8.252 -21.546 -6.323 217 HB3 GLU 34 HB3 GLU 34 8.361 -23.183 -5.706 218 HG2 GLU 34 HG2 GLU 34 5.945 -22.981 -5.066 219 HG3 GLU 34 HG3 GLU 34 5.923 -21.461 -5.960 220 H GLN 35 H GLN 35 9.850 -20.058 -3.266 221 HA GLN 35 HA GLN 35 11.985 -20.103 -2.509 222 HB2 GLN 35 HB2 GLN 35 11.559 -23.067 -2.128 223 HB3 GLN 35 HB3 GLN 35 12.743 -22.053 -1.311 224 HG2 GLN 35 HG2 GLN 35 10.986 -20.859 -0.162 225 HG3 GLN 35 HG3 GLN 35 9.758 -21.761 -1.047 226 HE21 GLN 35 HE21 GLN 35 8.836 -22.620 0.779 227 HE22 GLN 35 HE22 GLN 35 9.616 -23.830 1.731 228 H HIS 36 H HIS 36 11.398 -20.500 -5.291 229 HA HIS 36 HA HIS 36 12.434 -20.824 -7.269 230 HB2 HIS 36 HB2 HIS 36 14.992 -21.234 -5.717 231 HB3 HIS 36 HB3 HIS 36 14.829 -20.736 -7.399 232 HD1 HIS 36 HD1 HIS 36 14.601 -18.259 -7.848 233 HD2 HIS 36 HD2 HIS 36 14.206 -19.233 -3.826 234 HE1 HIS 36 HE1 HIS 36 14.620 -16.085 -6.624 235 HA PRO 37 HA PRO 37 12.461 -25.401 -6.873 236 HB2 PRO 37 HB2 PRO 37 10.270 -25.920 -8.281 237 HB3 PRO 37 HB3 PRO 37 10.132 -25.313 -6.623 238 HG2 PRO 37 HG2 PRO 37 9.946 -23.801 -9.208 239 HG3 PRO 37 HG3 PRO 37 8.842 -23.748 -7.811 240 HD2 PRO 37 HD2 PRO 37 10.807 -21.894 -8.209 241 HD3 PRO 37 HD3 PRO 37 10.255 -22.372 -6.591 242 H ASN 38 H ASN 38 12.589 -23.091 -9.357 243 HA ASN 38 HA ASN 38 13.461 -25.125 -11.306 244 HB2 ASN 38 HB2 ASN 38 11.387 -23.301 -11.575 245 HB3 ASN 38 HB3 ASN 38 12.717 -22.550 -12.448 246 HD21 ASN 38 HD21 ASN 38 12.151 -26.003 -12.094 247 HD22 ASN 38 HD22 ASN 38 11.821 -26.293 -13.760 248 H GLY 39 H GLY 39 14.766 -23.176 -9.201 249 HA2 GLY 39 HA2 GLY 39 16.700 -21.937 -9.023 250 HA3 GLY 39 HA3 GLY 39 17.246 -22.852 -10.423 251 H GLU 40 H GLU 40 14.506 -20.674 -10.345 252 HA GLU 40 HA GLU 40 15.938 -18.944 -12.219 253 HB2 GLU 40 HB2 GLU 40 13.749 -18.310 -13.087 254 HB3 GLU 40 HB3 GLU 40 14.012 -20.043 -13.190 255 HG2 GLU 40 HG2 GLU 40 12.659 -20.358 -11.190 256 HG3 GLU 40 HG3 GLU 40 12.359 -18.618 -11.142 257 HA PRO 41 HA PRO 41 15.557 -15.620 -9.290 258 HB2 PRO 41 HB2 PRO 41 15.923 -13.533 -10.965 259 HB3 PRO 41 HB3 PRO 41 17.242 -14.626 -10.528 260 HG2 PRO 41 HG2 PRO 41 15.560 -14.585 -13.006 261 HG3 PRO 41 HG3 PRO 41 17.311 -14.815 -12.847 262 HD2 PRO 41 HD2 PRO 41 15.558 -16.873 -13.205 263 HD3 PRO 41 HD3 PRO 41 17.093 -17.045 -12.329 264 H CYS 42 H CYS 42 14.398 -13.288 -9.301 265 HA CYS 42 HA CYS 42 11.618 -13.849 -9.875 266 HB2 CYS 42 HB2 CYS 42 11.103 -11.932 -8.474 267 HB3 CYS 42 HB3 CYS 42 12.301 -12.921 -7.655 268 HA PRO 43 HA PRO 43 11.353 -11.437 -13.545 269 HB2 PRO 43 HB2 PRO 43 8.829 -10.502 -13.461 270 HB3 PRO 43 HB3 PRO 43 9.188 -12.223 -13.652 271 HG2 PRO 43 HG2 PRO 43 8.440 -10.714 -11.169 272 HG3 PRO 43 HG3 PRO 43 7.811 -12.262 -11.762 273 HD2 PRO 43 HD2 PRO 43 9.713 -12.102 -9.841 274 HD3 PRO 43 HD3 PRO 43 9.642 -13.442 -11.004 275 H HIS 44 H HIS 44 12.759 -9.891 -11.658 276 HA HIS 44 HA HIS 44 11.761 -7.206 -12.318 277 HB2 HIS 44 HB2 HIS 44 12.739 -8.179 -9.644 278 HB3 HIS 44 HB3 HIS 44 12.785 -6.474 -10.079 279 HD2 HIS 44 HD2 HIS 44 10.195 -5.305 -10.440 280 HE1 HIS 44 HE1 HIS 44 8.209 -8.417 -8.369 281 HE2 HIS 44 HE2 HIS 44 7.959 -6.189 -9.508 282 HA PRO 45 HA PRO 45 16.020 -6.718 -13.651 283 HB2 PRO 45 HB2 PRO 45 15.844 -4.164 -14.445 284 HB3 PRO 45 HB3 PRO 45 15.065 -5.456 -15.367 285 HG2 PRO 45 HG2 PRO 45 13.863 -3.571 -13.372 286 HG3 PRO 45 HG3 PRO 45 13.245 -4.045 -14.966 287 HD2 PRO 45 HD2 PRO 45 12.354 -5.169 -12.651 288 HD3 PRO 45 HD3 PRO 45 12.419 -6.049 -14.191 289 H ASP 46 H ASP 46 14.327 -5.185 -11.153 290 HA ASP 46 HA ASP 46 16.412 -3.440 -10.221 291 HB2 ASP 46 HB2 ASP 46 13.977 -4.434 -8.729 292 HB3 ASP 46 HB3 ASP 46 14.966 -3.038 -8.321 293 H CYS 47 H CYS 47 15.633 -6.719 -9.969 294 HA CYS 47 HA CYS 47 17.671 -7.052 -7.911 295 HB2 CYS 47 HB2 CYS 47 15.449 -7.290 -6.865 296 HB3 CYS 47 HB3 CYS 47 15.021 -8.514 -8.052 297 H HIS 48 H HIS 48 18.292 -9.432 -7.849 298 HA HIS 48 HA HIS 48 17.788 -11.051 -10.103 299 HB2 HIS 48 HB2 HIS 48 19.501 -9.302 -10.943 300 HB3 HIS 48 HB3 HIS 48 20.654 -10.158 -9.924 301 HD1 HIS 48 HD1 HIS 48 21.754 -12.142 -10.948 302 HD2 HIS 48 HD2 HIS 48 18.300 -11.042 -12.967 303 HE1 HIS 48 HE1 HIS 48 21.651 -13.629 -12.967 304 HE2 HIS 48 HE2 HIS 48 19.681 -12.781 -14.281 305 H CYS 49 H CYS 49 17.264 -11.715 -7.709 306 HA CYS 49 HA CYS 49 19.406 -12.856 -6.227 307 HB2 CYS 49 HB2 CYS 49 17.627 -13.893 -4.886 308 HB3 CYS 49 HB3 CYS 49 17.299 -12.188 -5.160 309 H GLU 50 H GLU 50 18.489 -15.403 -5.628 310 HA GLU 50 HA GLU 50 18.420 -17.549 -6.282 311 HB2 GLU 50 HB2 GLU 50 16.832 -16.532 -8.087 312 HB3 GLU 50 HB3 GLU 50 18.185 -16.784 -9.177 313 HG2 GLU 50 HG2 GLU 50 16.796 -18.885 -7.555 314 HG3 GLU 50 HG3 GLU 50 16.592 -18.591 -9.281 315 H ARG 51 H ARG 51 20.096 -15.852 -8.985 316 HA ARG 51 HA ARG 51 22.199 -17.718 -9.228 317 HB2 ARG 51 HB2 ARG 51 21.935 -14.829 -10.045 318 HB3 ARG 51 HB3 ARG 51 23.458 -15.673 -10.250 319 HG2 ARG 51 HG2 ARG 51 20.884 -16.706 -11.418 320 HG3 ARG 51 HG3 ARG 51 21.911 -15.552 -12.265 321 HD2 ARG 51 HD2 ARG 51 23.777 -17.147 -12.191 322 HD3 ARG 51 HD3 ARG 51 22.773 -18.291 -11.305 323 HE ARG 51 HE ARG 51 22.754 -17.769 -14.125 324 HH11 ARG 51 HH11 ARG 51 20.788 -18.934 -11.430 325 HH12 ARG 51 HH12 ARG 51 19.787 -19.917 -12.428 326 HH21 ARG 51 HH21 ARG 51 21.405 -19.100 -15.435 327 HH22 ARG 51 HH22 ARG 51 20.136 -20.014 -14.701 328 H SER 52 H SER 52 24.143 -17.933 -8.245 329 HA SER 52 HA SER 52 25.693 -17.835 -6.601 330 HB2 SER 52 HB2 SER 52 25.134 -14.861 -6.751 331 HB3 SER 52 HB3 SER 52 26.527 -15.596 -5.958 332 HG SER 52 HG SER 52 25.863 -15.760 -8.717 Start of MODEL 12 1 HA ASN 1 HA ASN 1 1.317 -0.184 5.605 2 HB2 ASN 1 HB2 ASN 1 4.166 -0.325 6.597 3 HB3 ASN 1 HB3 ASN 1 3.588 0.989 5.582 4 HD21 ASN 1 HD21 ASN 1 3.991 2.489 7.191 5 HD22 ASN 1 HD22 ASN 1 2.990 2.633 8.592 6 H GLU 2 H GLU 2 4.128 -2.265 5.024 7 HA GLU 2 HA GLU 2 3.554 -2.116 2.157 8 HB2 GLU 2 HB2 GLU 2 5.364 -0.503 2.712 9 HB3 GLU 2 HB3 GLU 2 6.310 -1.826 3.370 10 HG2 GLU 2 HG2 GLU 2 6.366 -2.876 1.160 11 HG3 GLU 2 HG3 GLU 2 5.431 -1.530 0.508 12 H LEU 3 H LEU 3 3.820 -4.034 1.111 13 HA LEU 3 HA LEU 3 4.292 -6.348 2.772 14 HB2 LEU 3 HB2 LEU 3 3.349 -5.989 -0.061 15 HB3 LEU 3 HB3 LEU 3 3.793 -7.565 0.557 16 HG LEU 3 HG LEU 3 1.374 -7.246 0.605 17 HD11 LEU 3 HD11 LEU 3 0.958 -7.874 2.909 18 HD12 LEU 3 HD12 LEU 3 2.551 -7.283 3.375 19 HD13 LEU 3 HD13 LEU 3 2.406 -8.669 2.293 20 HD21 LEU 3 HD21 LEU 3 1.333 -4.802 0.883 21 HD22 LEU 3 HD22 LEU 3 1.895 -4.991 2.543 22 HD23 LEU 3 HD23 LEU 3 0.316 -5.620 2.069 23 H ARG 4 H ARG 4 6.236 -7.057 3.103 24 HA ARG 4 HA ARG 4 8.389 -6.487 1.214 25 HB2 ARG 4 HB2 ARG 4 8.315 -6.350 3.910 26 HB3 ARG 4 HB3 ARG 4 8.852 -8.012 3.722 27 HG2 ARG 4 HG2 ARG 4 10.850 -6.922 3.858 28 HG3 ARG 4 HG3 ARG 4 10.599 -6.944 2.109 29 HD2 ARG 4 HD2 ARG 4 9.690 -4.678 2.205 30 HD3 ARG 4 HD3 ARG 4 9.929 -4.653 3.953 31 HE ARG 4 HE ARG 4 12.390 -5.219 3.015 32 HH11 ARG 4 HH11 ARG 4 10.089 -2.677 2.192 33 HH12 ARG 4 HH12 ARG 4 11.312 -1.519 1.830 34 HH21 ARG 4 HH21 ARG 4 14.007 -3.674 2.528 35 HH22 ARG 4 HH22 ARG 4 13.559 -2.082 2.034 36 H CYS 5 H CYS 5 9.540 -8.138 0.165 37 HA CYS 5 HA CYS 5 8.160 -10.558 -0.358 38 HB2 CYS 5 HB2 CYS 5 9.774 -9.383 -1.930 39 HB3 CYS 5 HB3 CYS 5 11.081 -10.010 -0.931 40 H GLY 6 H GLY 6 8.452 -12.600 0.416 41 HA2 GLY 6 HA2 GLY 6 9.734 -12.857 2.989 42 HA3 GLY 6 HA3 GLY 6 8.844 -14.111 2.140 43 H CYS 7 H CYS 7 11.161 -12.752 0.143 44 HA CYS 7 HA CYS 7 12.931 -15.029 0.566 45 HB2 CYS 7 HB2 CYS 7 12.008 -14.648 -1.699 46 HB3 CYS 7 HB3 CYS 7 12.767 -13.070 -1.745 47 HA PRO 8 HA PRO 8 15.370 -12.085 2.908 48 HB2 PRO 8 HB2 PRO 8 17.403 -13.778 3.541 49 HB3 PRO 8 HB3 PRO 8 15.835 -13.791 4.354 50 HG2 PRO 8 HG2 PRO 8 16.836 -15.550 2.149 51 HG3 PRO 8 HG3 PRO 8 15.938 -15.994 3.611 52 HD2 PRO 8 HD2 PRO 8 14.738 -15.764 1.214 53 HD3 PRO 8 HD3 PRO 8 13.912 -15.319 2.721 54 H ASP 9 H ASP 9 16.431 -13.703 0.064 55 HA ASP 9 HA ASP 9 18.851 -12.036 -0.077 56 HB2 ASP 9 HB2 ASP 9 17.986 -14.493 -1.603 57 HB3 ASP 9 HB3 ASP 9 19.340 -13.497 -2.119 58 H CYS 10 H CYS 10 15.860 -11.446 -0.638 59 HA CYS 10 HA CYS 10 16.286 -10.253 -3.281 60 HB2 CYS 10 HB2 CYS 10 14.976 -12.261 -3.541 61 HB3 CYS 10 HB3 CYS 10 13.892 -11.742 -2.258 62 H HIS 11 H HIS 11 15.765 -8.147 -3.389 63 HA HIS 11 HA HIS 11 14.116 -7.004 -1.229 64 HB2 HIS 11 HB2 HIS 11 16.318 -5.724 -2.858 65 HB3 HIS 11 HB3 HIS 11 15.220 -4.813 -1.832 66 HD2 HIS 11 HD2 HIS 11 17.950 -7.630 -1.333 67 HE1 HIS 11 HE1 HIS 11 17.666 -5.278 2.181 68 HE2 HIS 11 HE2 HIS 11 19.044 -6.946 0.896 69 H CYS 12 H CYS 12 12.087 -7.003 -2.074 70 HA CYS 12 HA CYS 12 11.626 -5.303 -4.392 71 HB2 CYS 12 HB2 CYS 12 10.676 -8.175 -4.225 72 HB3 CYS 12 HB3 CYS 12 10.038 -7.007 -5.371 73 H LYS 13 H LYS 13 9.614 -4.293 -4.402 74 HA LYS 13 HA LYS 13 8.119 -4.440 -1.892 75 HB2 LYS 13 HB2 LYS 13 8.819 -2.219 -2.878 76 HB3 LYS 13 HB3 LYS 13 7.729 -2.529 -4.219 77 HG2 LYS 13 HG2 LYS 13 6.612 -2.610 -1.454 78 HG3 LYS 13 HG3 LYS 13 7.016 -1.043 -2.145 79 HD2 LYS 13 HD2 LYS 13 5.532 -1.476 -4.037 80 HD3 LYS 13 HD3 LYS 13 5.174 -3.085 -3.411 81 HE2 LYS 13 HE2 LYS 13 4.113 -2.154 -1.471 82 HE3 LYS 13 HE3 LYS 13 4.606 -0.526 -1.933 83 HZ1 LYS 13 HZ1 LYS 13 2.754 -2.247 -3.493 84 HZ2 LYS 13 HZ2 LYS 13 3.180 -0.649 -3.852 85 HZ3 LYS 13 HZ3 LYS 13 2.284 -0.993 -2.463 86 H VAL 14 H VAL 14 6.420 -5.711 -1.744 87 HA VAL 14 HA VAL 14 5.195 -6.697 -4.213 88 HB VAL 14 HB VAL 14 4.571 -7.694 -1.442 89 HG11 VAL 14 HG11 VAL 14 3.092 -8.470 -3.139 90 HG12 VAL 14 HG12 VAL 14 4.159 -9.798 -2.677 91 HG13 VAL 14 HG13 VAL 14 4.443 -8.921 -4.178 92 HG21 VAL 14 HG21 VAL 14 6.997 -7.762 -1.643 93 HG22 VAL 14 HG22 VAL 14 6.860 -8.592 -3.193 94 HG23 VAL 14 HG23 VAL 14 6.326 -9.392 -1.716 95 H ASP 15 H ASP 15 2.880 -6.765 -4.429 96 HA ASP 15 HA ASP 15 1.535 -4.656 -2.885 97 HB2 ASP 15 HB2 ASP 15 1.755 -4.716 -5.589 98 HB3 ASP 15 HB3 ASP 15 0.296 -5.656 -5.346 99 HA PRO 16 HA PRO 16 -0.965 -7.884 -1.205 100 HB2 PRO 16 HB2 PRO 16 -2.943 -6.321 -0.198 101 HB3 PRO 16 HB3 PRO 16 -1.346 -6.445 0.550 102 HG2 PRO 16 HG2 PRO 16 -2.426 -4.334 -1.271 103 HG3 PRO 16 HG3 PRO 16 -1.457 -4.150 0.206 104 HD2 PRO 16 HD2 PRO 16 -0.397 -3.989 -2.273 105 HD3 PRO 16 HD3 PRO 16 0.517 -4.626 -0.898 106 H GLU 17 H GLU 17 -1.979 -5.666 -3.662 107 HA GLU 17 HA GLU 17 -4.592 -6.714 -4.063 108 HB2 GLU 17 HB2 GLU 17 -2.741 -5.140 -5.853 109 HB3 GLU 17 HB3 GLU 17 -4.352 -5.632 -6.345 110 HG2 GLU 17 HG2 GLU 17 -5.323 -4.331 -4.546 111 HG3 GLU 17 HG3 GLU 17 -3.715 -3.881 -3.987 112 H ARG 18 H ARG 18 -1.374 -7.524 -5.264 113 HA ARG 18 HA ARG 18 -2.528 -9.934 -6.475 114 HB2 ARG 18 HB2 ARG 18 -0.560 -8.182 -7.943 115 HB3 ARG 18 HB3 ARG 18 -1.343 -9.636 -8.545 116 HG2 ARG 18 HG2 ARG 18 -3.530 -8.456 -8.353 117 HG3 ARG 18 HG3 ARG 18 -2.636 -6.993 -7.928 118 HD2 ARG 18 HD2 ARG 18 -1.422 -7.170 -10.061 119 HD3 ARG 18 HD3 ARG 18 -2.417 -8.563 -10.478 120 HE ARG 18 HE ARG 18 -4.048 -6.349 -9.839 121 HH11 ARG 18 HH11 ARG 18 -1.916 -7.558 -12.339 122 HH12 ARG 18 HH12 ARG 18 -2.729 -6.724 -13.618 123 HH21 ARG 18 HH21 ARG 18 -5.127 -5.232 -11.535 124 HH22 ARG 18 HH22 ARG 18 -4.566 -5.405 -13.161 125 H VAL 19 H VAL 19 -1.266 -9.981 -4.120 126 HA VAL 19 HA VAL 19 1.534 -10.634 -4.581 127 HB VAL 19 HB VAL 19 1.228 -9.332 -2.604 128 HG11 VAL 19 HG11 VAL 19 -0.224 -10.012 -0.761 129 HG12 VAL 19 HG12 VAL 19 -0.823 -11.357 -1.734 130 HG13 VAL 19 HG13 VAL 19 -1.140 -9.694 -2.236 131 HG21 VAL 19 HG21 VAL 19 2.063 -10.795 -0.849 132 HG22 VAL 19 HG22 VAL 19 2.835 -11.163 -2.392 133 HG23 VAL 19 HG23 VAL 19 1.561 -12.208 -1.773 134 H PHE 20 H PHE 20 2.333 -12.643 -4.635 135 HA PHE 20 HA PHE 20 0.502 -14.845 -4.562 136 HB2 PHE 20 HB2 PHE 20 2.591 -14.528 -6.086 137 HB3 PHE 20 HB3 PHE 20 3.496 -15.092 -4.684 138 HD1 PHE 20 HD1 PHE 20 1.056 -15.961 -7.223 139 HD2 PHE 20 HD2 PHE 20 3.378 -17.388 -3.977 140 HE1 PHE 20 HE1 PHE 20 0.546 -18.284 -7.889 141 HE2 PHE 20 HE2 PHE 20 2.884 -19.709 -4.623 142 HZ PHE 20 HZ PHE 20 1.465 -20.159 -6.584 143 H ASN 21 H ASN 21 -0.156 -15.496 -2.633 144 HA ASN 21 HA ASN 21 1.592 -15.254 -0.324 145 HB2 ASN 21 HB2 ASN 21 -1.323 -15.960 -0.620 146 HB3 ASN 21 HB3 ASN 21 -0.471 -16.096 0.912 147 HD21 ASN 21 HD21 ASN 21 -1.791 -13.934 -1.457 148 HD22 ASN 21 HD22 ASN 21 -1.648 -12.499 -0.509 149 H HIS 22 H HIS 22 2.843 -16.835 0.243 150 HA HIS 22 HA HIS 22 1.959 -19.598 -0.250 151 HB2 HIS 22 HB2 HIS 22 3.642 -18.737 -1.926 152 HB3 HIS 22 HB3 HIS 22 4.802 -18.666 -0.605 153 HD2 HIS 22 HD2 HIS 22 5.206 -21.357 0.588 154 HE1 HIS 22 HE1 HIS 22 4.373 -23.227 -3.123 155 HE2 HIS 22 HE2 HIS 22 5.556 -23.436 -0.924 156 H ASP 23 H ASP 23 1.850 -20.644 1.580 157 HA ASP 23 HA ASP 23 2.127 -21.301 3.727 158 HB2 ASP 23 HB2 ASP 23 4.435 -21.810 2.776 159 HB3 ASP 23 HB3 ASP 23 4.976 -20.302 3.498 160 H GLY 24 H GLY 24 1.484 -18.434 3.039 161 HA2 GLY 24 HA2 GLY 24 0.568 -16.887 4.565 162 HA3 GLY 24 HA3 GLY 24 1.702 -17.451 5.780 163 H GLU 25 H GLU 25 3.513 -17.045 3.039 164 HA GLU 25 HA GLU 25 4.319 -14.383 3.966 165 HB2 GLU 25 HB2 GLU 25 5.766 -16.609 2.648 166 HB3 GLU 25 HB3 GLU 25 6.310 -14.972 2.324 167 HG2 GLU 25 HG2 GLU 25 7.583 -15.902 4.111 168 HG3 GLU 25 HG3 GLU 25 6.556 -14.613 4.735 169 H ALA 26 H ALA 26 4.868 -12.758 2.538 170 HA ALA 26 HA ALA 26 3.313 -12.787 0.062 171 HB1 ALA 26 HB1 ALA 26 4.386 -10.545 1.773 172 HB2 ALA 26 HB2 ALA 26 2.696 -11.012 1.553 173 HB3 ALA 26 HB3 ALA 26 3.598 -10.298 0.217 174 H TYR 27 H TYR 27 4.517 -13.300 -1.686 175 HA TYR 27 HA TYR 27 7.271 -12.278 -1.790 176 HB2 TYR 27 HB2 TYR 27 6.034 -14.630 -3.218 177 HB3 TYR 27 HB3 TYR 27 7.682 -14.066 -3.442 178 HD1 TYR 27 HD1 TYR 27 5.358 -15.700 -1.097 179 HD2 TYR 27 HD2 TYR 27 9.392 -14.590 -1.849 180 HE1 TYR 27 HE1 TYR 27 6.099 -17.195 0.702 181 HE2 TYR 27 HE2 TYR 27 10.143 -16.077 -0.044 182 HH TYR 27 HH TYR 27 9.371 -17.193 1.866 183 H CYS 28 H CYS 28 8.010 -11.384 -3.783 184 HA CYS 28 HA CYS 28 6.083 -9.758 -5.084 185 HB2 CYS 28 HB2 CYS 28 7.951 -9.045 -6.502 186 HB3 CYS 28 HB3 CYS 28 8.418 -9.064 -4.805 187 H SER 29 H SER 29 7.513 -12.826 -5.767 188 HA SER 29 HA SER 29 5.716 -13.157 -8.028 189 HB2 SER 29 HB2 SER 29 7.916 -12.434 -8.933 190 HB3 SER 29 HB3 SER 29 8.671 -13.809 -8.128 191 HG SER 29 HG SER 29 6.851 -13.782 -10.279 192 H GLN 30 H GLN 30 5.508 -15.451 -8.623 193 HA GLN 30 HA GLN 30 5.230 -17.072 -6.317 194 HB2 GLN 30 HB2 GLN 30 4.345 -18.753 -7.762 195 HB3 GLN 30 HB3 GLN 30 3.786 -17.212 -8.388 196 HG2 GLN 30 HG2 GLN 30 6.095 -18.807 -9.482 197 HG3 GLN 30 HG3 GLN 30 4.467 -18.775 -10.153 198 HE21 GLN 30 HE21 GLN 30 7.083 -18.015 -11.264 199 HE22 GLN 30 HE22 GLN 30 6.915 -16.384 -11.805 200 H ALA 31 H ALA 31 7.775 -16.537 -8.563 201 HA ALA 31 HA ALA 31 9.194 -18.937 -8.421 202 HB1 ALA 31 HB1 ALA 31 9.729 -17.173 -10.006 203 HB2 ALA 31 HB2 ALA 31 11.149 -17.612 -9.055 204 HB3 ALA 31 HB3 ALA 31 10.264 -16.131 -8.687 205 H CYS 32 H CYS 32 9.537 -16.007 -6.419 206 HA CYS 32 HA CYS 32 11.430 -17.139 -4.651 207 HB2 CYS 32 HB2 CYS 32 9.541 -14.808 -4.254 208 HB3 CYS 32 HB3 CYS 32 10.880 -15.212 -3.189 209 H ALA 33 H ALA 33 7.903 -16.800 -4.559 210 HA ALA 33 HA ALA 33 7.408 -17.772 -2.000 211 HB1 ALA 33 HB1 ALA 33 5.710 -18.149 -4.457 212 HB2 ALA 33 HB2 ALA 33 5.725 -16.715 -3.428 213 HB3 ALA 33 HB3 ALA 33 5.181 -18.258 -2.780 214 H GLU 34 H GLU 34 7.773 -19.485 -5.029 215 HA GLU 34 HA GLU 34 7.241 -22.068 -3.967 216 HB2 GLU 34 HB2 GLU 34 8.264 -20.964 -6.545 217 HB3 GLU 34 HB3 GLU 34 8.365 -22.687 -6.245 218 HG2 GLU 34 HG2 GLU 34 5.809 -21.128 -6.038 219 HG3 GLU 34 HG3 GLU 34 6.356 -21.901 -7.525 220 H GLN 35 H GLN 35 9.768 -20.073 -3.416 221 HA GLN 35 HA GLN 35 11.824 -20.300 -2.515 222 HB2 GLN 35 HB2 GLN 35 11.166 -23.244 -2.277 223 HB3 GLN 35 HB3 GLN 35 12.443 -22.391 -1.421 224 HG2 GLN 35 HG2 GLN 35 10.626 -20.963 -0.399 225 HG3 GLN 35 HG3 GLN 35 9.474 -22.110 -1.076 226 HE21 GLN 35 HE21 GLN 35 9.401 -24.206 -0.251 227 HE22 GLN 35 HE22 GLN 35 10.109 -24.618 1.270 228 H HIS 36 H HIS 36 11.359 -20.571 -5.362 229 HA HIS 36 HA HIS 36 12.435 -21.021 -7.316 230 HB2 HIS 36 HB2 HIS 36 14.918 -21.139 -5.589 231 HB3 HIS 36 HB3 HIS 36 14.857 -20.835 -7.321 232 HD1 HIS 36 HD1 HIS 36 14.730 -18.439 -8.005 233 HD2 HIS 36 HD2 HIS 36 13.656 -19.007 -4.038 234 HE1 HIS 36 HE1 HIS 36 14.487 -16.145 -7.043 235 HA PRO 37 HA PRO 37 12.675 -25.566 -6.345 236 HB2 PRO 37 HB2 PRO 37 10.505 -26.346 -7.730 237 HB3 PRO 37 HB3 PRO 37 10.383 -25.702 -6.089 238 HG2 PRO 37 HG2 PRO 37 9.908 -24.326 -8.702 239 HG3 PRO 37 HG3 PRO 37 8.953 -24.251 -7.211 240 HD2 PRO 37 HD2 PRO 37 10.750 -22.324 -7.946 241 HD3 PRO 37 HD3 PRO 37 10.356 -22.686 -6.253 242 H ASN 38 H ASN 38 12.240 -23.759 -9.298 243 HA ASN 38 HA ASN 38 13.657 -25.879 -10.740 244 HB2 ASN 38 HB2 ASN 38 11.346 -24.241 -11.499 245 HB3 ASN 38 HB3 ASN 38 12.576 -24.426 -12.750 246 HD21 ASN 38 HD21 ASN 38 10.611 -26.196 -10.495 247 HD22 ASN 38 HD22 ASN 38 10.484 -27.643 -11.425 248 H GLY 39 H GLY 39 14.630 -23.515 -9.158 249 HA2 GLY 39 HA2 GLY 39 16.225 -21.857 -9.300 250 HA3 GLY 39 HA3 GLY 39 16.766 -22.683 -10.758 251 H GLU 40 H GLU 40 13.714 -21.081 -10.049 252 HA GLU 40 HA GLU 40 14.109 -19.476 -12.439 253 HB2 GLU 40 HB2 GLU 40 11.639 -19.025 -12.210 254 HB3 GLU 40 HB3 GLU 40 12.086 -20.686 -12.559 255 HG2 GLU 40 HG2 GLU 40 11.795 -21.243 -10.183 256 HG3 GLU 40 HG3 GLU 40 11.288 -19.582 -9.877 257 HA PRO 41 HA PRO 41 14.799 -15.962 -9.743 258 HB2 PRO 41 HB2 PRO 41 15.287 -14.212 -11.760 259 HB3 PRO 41 HB3 PRO 41 16.495 -15.369 -11.196 260 HG2 PRO 41 HG2 PRO 41 14.697 -15.516 -13.580 261 HG3 PRO 41 HG3 PRO 41 16.408 -15.960 -13.438 262 HD2 PRO 41 HD2 PRO 41 14.390 -17.784 -13.399 263 HD3 PRO 41 HD3 PRO 41 15.924 -18.023 -12.535 264 H CYS 42 H CYS 42 13.788 -13.785 -9.532 265 HA CYS 42 HA CYS 42 11.006 -13.926 -10.302 266 HB2 CYS 42 HB2 CYS 42 10.656 -12.078 -8.753 267 HB3 CYS 42 HB3 CYS 42 11.644 -13.304 -7.973 268 HA PRO 43 HA PRO 43 11.283 -11.048 -13.661 269 HB2 PRO 43 HB2 PRO 43 8.766 -9.767 -12.885 270 HB3 PRO 43 HB3 PRO 43 9.101 -10.807 -14.270 271 HG2 PRO 43 HG2 PRO 43 7.567 -11.610 -12.196 272 HG3 PRO 43 HG3 PRO 43 8.582 -12.731 -13.122 273 HD2 PRO 43 HD2 PRO 43 9.098 -11.469 -10.453 274 HD3 PRO 43 HD3 PRO 43 9.380 -13.139 -10.987 275 H HIS 44 H HIS 44 12.784 -10.103 -11.539 276 HA HIS 44 HA HIS 44 12.396 -7.214 -11.804 277 HB2 HIS 44 HB2 HIS 44 12.794 -8.734 -9.222 278 HB3 HIS 44 HB3 HIS 44 13.220 -7.036 -9.371 279 HD2 HIS 44 HD2 HIS 44 11.025 -5.279 -9.564 280 HE1 HIS 44 HE1 HIS 44 8.117 -8.183 -8.524 281 HE2 HIS 44 HE2 HIS 44 8.647 -5.732 -8.641 282 HA PRO 45 HA PRO 45 16.761 -8.005 -12.707 283 HB2 PRO 45 HB2 PRO 45 17.187 -5.870 -14.265 284 HB3 PRO 45 HB3 PRO 45 16.260 -7.255 -14.853 285 HG2 PRO 45 HG2 PRO 45 15.291 -4.609 -13.863 286 HG3 PRO 45 HG3 PRO 45 14.696 -5.586 -15.216 287 HD2 PRO 45 HD2 PRO 45 13.544 -5.500 -12.691 288 HD3 PRO 45 HD3 PRO 45 13.318 -6.808 -13.862 289 H ASP 46 H ASP 46 15.385 -6.193 -10.529 290 HA ASP 46 HA ASP 46 17.430 -4.182 -10.125 291 HB2 ASP 46 HB2 ASP 46 14.907 -4.827 -8.595 292 HB3 ASP 46 HB3 ASP 46 16.026 -3.545 -8.143 293 H CYS 47 H CYS 47 17.086 -7.407 -9.380 294 HA CYS 47 HA CYS 47 19.218 -7.256 -7.441 295 HB2 CYS 47 HB2 CYS 47 18.131 -8.424 -5.711 296 HB3 CYS 47 HB3 CYS 47 16.956 -7.206 -6.198 297 H HIS 48 H HIS 48 19.710 -9.628 -6.798 298 HA HIS 48 HA HIS 48 19.144 -11.470 -8.974 299 HB2 HIS 48 HB2 HIS 48 21.945 -10.773 -8.060 300 HB3 HIS 48 HB3 HIS 48 21.536 -12.065 -9.179 301 HD1 HIS 48 HD1 HIS 48 20.795 -11.320 -11.604 302 HD2 HIS 48 HD2 HIS 48 22.104 -8.237 -9.138 303 HE1 HIS 48 HE1 HIS 48 21.199 -9.364 -13.119 304 HE2 HIS 48 HE2 HIS 48 21.811 -7.468 -11.587 305 H CYS 49 H CYS 49 17.834 -12.334 -7.166 306 HA CYS 49 HA CYS 49 19.306 -13.427 -4.934 307 HB2 CYS 49 HB2 CYS 49 17.090 -14.300 -4.195 308 HB3 CYS 49 HB3 CYS 49 17.115 -12.561 -4.449 309 H GLU 50 H GLU 50 17.753 -14.639 -7.850 310 HA GLU 50 HA GLU 50 18.399 -17.374 -7.177 311 HB2 GLU 50 HB2 GLU 50 16.374 -16.503 -8.577 312 HB3 GLU 50 HB3 GLU 50 17.520 -16.477 -9.905 313 HG2 GLU 50 HG2 GLU 50 16.875 -18.913 -8.265 314 HG3 GLU 50 HG3 GLU 50 16.107 -18.509 -9.796 315 H ARG 51 H ARG 51 19.256 -15.189 -9.878 316 HA ARG 51 HA ARG 51 21.466 -16.677 -10.786 317 HB2 ARG 51 HB2 ARG 51 20.572 -13.835 -11.155 318 HB3 ARG 51 HB3 ARG 51 22.142 -14.343 -11.754 319 HG2 ARG 51 HG2 ARG 51 19.705 -15.900 -12.503 320 HG3 ARG 51 HG3 ARG 51 20.066 -14.381 -13.323 321 HD2 ARG 51 HD2 ARG 51 22.194 -15.208 -14.060 322 HD3 ARG 51 HD3 ARG 51 22.034 -16.654 -13.066 323 HE ARG 51 HE ARG 51 19.884 -16.502 -14.871 324 HH11 ARG 51 HH11 ARG 51 23.331 -17.103 -14.810 325 HH12 ARG 51 HH12 ARG 51 23.306 -18.162 -16.175 326 HH21 ARG 51 HH21 ARG 51 19.831 -17.897 -16.672 327 HH22 ARG 51 HH22 ARG 51 21.293 -18.610 -17.257 328 H SER 52 H SER 52 23.421 -16.919 -9.988 329 HA SER 52 HA SER 52 25.325 -16.671 -8.804 330 HB2 SER 52 HB2 SER 52 25.300 -14.379 -9.900 331 HB3 SER 52 HB3 SER 52 24.580 -13.760 -8.418 332 HG SER 52 HG SER 52 26.477 -14.640 -7.323 Start of MODEL 13 1 HA ASN 1 HA ASN 1 -0.162 -1.892 0.997 2 HB2 ASN 1 HB2 ASN 1 -0.960 -1.072 3.802 3 HB3 ASN 1 HB3 ASN 1 -0.566 0.070 2.524 4 HD21 ASN 1 HD21 ASN 1 -3.052 -0.327 4.013 5 HD22 ASN 1 HD22 ASN 1 -4.266 -0.622 2.822 6 H GLU 2 H GLU 2 1.449 -3.452 3.404 7 HA GLU 2 HA GLU 2 3.857 -1.821 3.023 8 HB2 GLU 2 HB2 GLU 2 4.377 -2.113 5.457 9 HB3 GLU 2 HB3 GLU 2 3.003 -1.064 5.138 10 HG2 GLU 2 HG2 GLU 2 1.469 -2.867 5.692 11 HG3 GLU 2 HG3 GLU 2 2.826 -3.960 5.949 12 H LEU 3 H LEU 3 3.200 -4.215 1.737 13 HA LEU 3 HA LEU 3 4.432 -6.368 3.231 14 HB2 LEU 3 HB2 LEU 3 3.073 -6.289 0.555 15 HB3 LEU 3 HB3 LEU 3 3.874 -7.718 1.176 16 HG LEU 3 HG LEU 3 1.508 -6.334 2.438 17 HD11 LEU 3 HD11 LEU 3 0.289 -8.343 1.804 18 HD12 LEU 3 HD12 LEU 3 1.734 -8.983 1.022 19 HD13 LEU 3 HD13 LEU 3 0.956 -7.534 0.385 20 HD21 LEU 3 HD21 LEU 3 1.491 -8.316 3.928 21 HD22 LEU 3 HD22 LEU 3 2.905 -7.292 4.148 22 HD23 LEU 3 HD23 LEU 3 3.043 -8.802 3.247 23 H ARG 4 H ARG 4 6.296 -7.294 2.832 24 HA ARG 4 HA ARG 4 7.928 -6.227 0.642 25 HB2 ARG 4 HB2 ARG 4 8.535 -6.614 3.510 26 HB3 ARG 4 HB3 ARG 4 9.798 -7.031 2.360 27 HG2 ARG 4 HG2 ARG 4 9.703 -4.802 1.424 28 HG3 ARG 4 HG3 ARG 4 8.417 -4.372 2.561 29 HD2 ARG 4 HD2 ARG 4 9.872 -4.658 4.418 30 HD3 ARG 4 HD3 ARG 4 11.122 -5.366 3.397 31 HE ARG 4 HE ARG 4 10.332 -2.666 2.731 32 HH11 ARG 4 HH11 ARG 4 12.590 -4.690 4.504 33 HH12 ARG 4 HH12 ARG 4 13.823 -3.481 4.567 34 HH21 ARG 4 HH21 ARG 4 11.963 -1.076 2.801 35 HH22 ARG 4 HH22 ARG 4 13.467 -1.411 3.593 36 H CYS 5 H CYS 5 9.532 -7.690 -0.137 37 HA CYS 5 HA CYS 5 8.499 -10.291 -0.503 38 HB2 CYS 5 HB2 CYS 5 9.950 -8.948 -2.112 39 HB3 CYS 5 HB3 CYS 5 11.311 -9.419 -1.093 40 H GLY 6 H GLY 6 9.018 -12.169 0.460 41 HA2 GLY 6 HA2 GLY 6 10.424 -12.040 2.971 42 HA3 GLY 6 HA3 GLY 6 9.629 -13.451 2.289 43 H CYS 7 H CYS 7 11.523 -12.372 -0.146 44 HA CYS 7 HA CYS 7 13.413 -14.454 0.205 45 HB2 CYS 7 HB2 CYS 7 12.555 -13.564 -2.022 46 HB3 CYS 7 HB3 CYS 7 13.583 -12.160 -1.767 47 HA PRO 8 HA PRO 8 16.151 -12.096 2.831 48 HB2 PRO 8 HB2 PRO 8 18.256 -13.833 2.782 49 HB3 PRO 8 HB3 PRO 8 16.812 -14.089 3.769 50 HG2 PRO 8 HG2 PRO 8 17.522 -15.265 1.111 51 HG3 PRO 8 HG3 PRO 8 16.802 -16.052 2.527 52 HD2 PRO 8 HD2 PRO 8 15.328 -15.290 0.399 53 HD3 PRO 8 HD3 PRO 8 14.689 -15.251 2.054 54 H ASP 9 H ASP 9 16.972 -13.272 -0.335 55 HA ASP 9 HA ASP 9 19.329 -11.570 -0.524 56 HB2 ASP 9 HB2 ASP 9 18.131 -13.371 -2.634 57 HB3 ASP 9 HB3 ASP 9 19.728 -12.640 -2.654 58 H CYS 10 H CYS 10 16.018 -11.674 -1.502 59 HA CYS 10 HA CYS 10 16.434 -9.358 -3.260 60 HB2 CYS 10 HB2 CYS 10 15.726 -11.073 -4.647 61 HB3 CYS 10 HB3 CYS 10 14.590 -11.699 -3.459 62 H HIS 11 H HIS 11 15.589 -7.521 -2.558 63 HA HIS 11 HA HIS 11 13.214 -7.669 -0.838 64 HB2 HIS 11 HB2 HIS 11 15.373 -5.572 -0.943 65 HB3 HIS 11 HB3 HIS 11 13.857 -5.367 -0.076 66 HD2 HIS 11 HD2 HIS 11 13.524 -7.485 1.987 67 HE1 HIS 11 HE1 HIS 11 17.716 -7.699 2.546 68 HE2 HIS 11 HE2 HIS 11 15.467 -8.149 3.559 69 H CYS 12 H CYS 12 11.574 -7.533 -2.245 70 HA CYS 12 HA CYS 12 11.425 -5.082 -3.866 71 HB2 CYS 12 HB2 CYS 12 10.294 -7.842 -4.431 72 HB3 CYS 12 HB3 CYS 12 9.727 -6.408 -5.271 73 H LYS 13 H LYS 13 9.558 -3.838 -3.631 74 HA LYS 13 HA LYS 13 7.997 -4.341 -1.246 75 HB2 LYS 13 HB2 LYS 13 8.789 -2.044 -2.429 76 HB3 LYS 13 HB3 LYS 13 7.208 -2.191 -3.171 77 HG2 LYS 13 HG2 LYS 13 7.641 -2.227 -0.177 78 HG3 LYS 13 HG3 LYS 13 7.321 -0.755 -1.090 79 HD2 LYS 13 HD2 LYS 13 5.506 -3.163 -0.886 80 HD3 LYS 13 HD3 LYS 13 5.302 -1.642 -0.019 81 HE2 LYS 13 HE2 LYS 13 5.275 -1.946 -3.025 82 HE3 LYS 13 HE3 LYS 13 3.844 -1.834 -2.007 83 HZ1 LYS 13 HZ1 LYS 13 4.598 0.356 -1.283 84 HZ2 LYS 13 HZ2 LYS 13 4.352 0.293 -2.950 85 HZ3 LYS 13 HZ3 LYS 13 5.925 0.260 -2.330 86 H VAL 14 H VAL 14 6.122 -5.418 -1.189 87 HA VAL 14 HA VAL 14 5.000 -6.254 -3.773 88 HB VAL 14 HB VAL 14 4.499 -7.589 -1.121 89 HG11 VAL 14 HG11 VAL 14 2.937 -8.164 -2.860 90 HG12 VAL 14 HG12 VAL 14 4.019 -9.526 -2.565 91 HG13 VAL 14 HG13 VAL 14 4.258 -8.501 -3.979 92 HG21 VAL 14 HG21 VAL 14 6.906 -7.571 -1.481 93 HG22 VAL 14 HG22 VAL 14 6.682 -8.207 -3.111 94 HG23 VAL 14 HG23 VAL 14 6.259 -9.195 -1.713 95 H ASP 15 H ASP 15 2.806 -6.228 -4.140 96 HA ASP 15 HA ASP 15 1.261 -4.383 -2.488 97 HB2 ASP 15 HB2 ASP 15 0.939 -5.410 -5.301 98 HB3 ASP 15 HB3 ASP 15 -0.303 -4.485 -4.482 99 HA PRO 16 HA PRO 16 -0.857 -7.874 -0.693 100 HB2 PRO 16 HB2 PRO 16 -3.032 -6.453 0.238 101 HB3 PRO 16 HB3 PRO 16 -1.484 -6.592 1.080 102 HG2 PRO 16 HG2 PRO 16 -2.494 -4.392 -0.676 103 HG3 PRO 16 HG3 PRO 16 -1.607 -4.284 0.855 104 HD2 PRO 16 HD2 PRO 16 -0.383 -3.904 -1.480 105 HD3 PRO 16 HD3 PRO 16 0.429 -4.763 -0.152 106 H GLU 17 H GLU 17 -2.306 -5.752 -3.091 107 HA GLU 17 HA GLU 17 -4.773 -7.082 -3.378 108 HB2 GLU 17 HB2 GLU 17 -3.188 -5.269 -5.141 109 HB3 GLU 17 HB3 GLU 17 -4.533 -6.157 -5.833 110 HG2 GLU 17 HG2 GLU 17 -5.902 -5.158 -3.896 111 HG3 GLU 17 HG3 GLU 17 -4.557 -4.029 -3.738 112 H ARG 18 H ARG 18 -1.590 -7.796 -4.687 113 HA ARG 18 HA ARG 18 -2.743 -10.147 -6.003 114 HB2 ARG 18 HB2 ARG 18 -0.915 -8.169 -7.367 115 HB3 ARG 18 HB3 ARG 18 -1.495 -9.679 -8.062 116 HG2 ARG 18 HG2 ARG 18 -3.792 -8.858 -7.949 117 HG3 ARG 18 HG3 ARG 18 -3.217 -7.356 -7.224 118 HD2 ARG 18 HD2 ARG 18 -2.451 -8.376 -9.952 119 HD3 ARG 18 HD3 ARG 18 -3.691 -7.166 -9.639 120 HE ARG 18 HE ARG 18 -1.623 -6.009 -8.482 121 HH11 ARG 18 HH11 ARG 18 -1.767 -7.679 -11.565 122 HH12 ARG 18 HH12 ARG 18 -0.534 -6.714 -12.294 123 HH21 ARG 18 HH21 ARG 18 0.001 -4.709 -9.459 124 HH22 ARG 18 HH22 ARG 18 0.475 -5.018 -11.088 125 H VAL 19 H VAL 19 -1.074 -9.744 -3.626 126 HA VAL 19 HA VAL 19 1.580 -10.568 -4.264 127 HB VAL 19 HB VAL 19 1.271 -9.364 -2.198 128 HG11 VAL 19 HG11 VAL 19 -0.558 -11.604 -1.361 129 HG12 VAL 19 HG12 VAL 19 -1.018 -9.929 -1.684 130 HG13 VAL 19 HG13 VAL 19 0.022 -10.315 -0.309 131 HG21 VAL 19 HG21 VAL 19 3.029 -11.085 -2.221 132 HG22 VAL 19 HG22 VAL 19 1.883 -12.239 -1.545 133 HG23 VAL 19 HG23 VAL 19 2.362 -10.825 -0.611 134 H PHE 20 H PHE 20 2.514 -12.570 -4.193 135 HA PHE 20 HA PHE 20 0.712 -14.831 -4.304 136 HB2 PHE 20 HB2 PHE 20 3.710 -14.664 -4.675 137 HB3 PHE 20 HB3 PHE 20 2.761 -16.135 -4.857 138 HD1 PHE 20 HD1 PHE 20 3.402 -12.824 -6.211 139 HD2 PHE 20 HD2 PHE 20 1.515 -16.557 -6.837 140 HE1 PHE 20 HE1 PHE 20 3.008 -12.210 -8.574 141 HE2 PHE 20 HE2 PHE 20 1.109 -15.977 -9.194 142 HZ PHE 20 HZ PHE 20 1.856 -13.796 -10.067 143 H ASN 21 H ASN 21 0.087 -15.609 -2.489 144 HA ASN 21 HA ASN 21 1.694 -15.378 -0.089 145 HB2 ASN 21 HB2 ASN 21 -1.072 -16.544 -0.484 146 HB3 ASN 21 HB3 ASN 21 -0.280 -16.307 1.068 147 HD21 ASN 21 HD21 ASN 21 -1.932 -14.805 -1.563 148 HD22 ASN 21 HD22 ASN 21 -2.107 -13.246 -0.839 149 H HIS 22 H HIS 22 3.118 -16.857 0.413 150 HA HIS 22 HA HIS 22 2.507 -19.667 -0.205 151 HB2 HIS 22 HB2 HIS 22 4.078 -18.666 -1.889 152 HB3 HIS 22 HB3 HIS 22 5.229 -18.428 -0.585 153 HD2 HIS 22 HD2 HIS 22 5.972 -21.009 0.676 154 HE1 HIS 22 HE1 HIS 22 5.339 -23.103 -2.952 155 HE2 HIS 22 HE2 HIS 22 6.114 -23.262 -0.570 156 H ASP 23 H ASP 23 2.319 -20.599 1.677 157 HA ASP 23 HA ASP 23 2.793 -21.427 3.731 158 HB2 ASP 23 HB2 ASP 23 5.030 -21.834 2.591 159 HB3 ASP 23 HB3 ASP 23 5.597 -20.355 3.351 160 H GLY 24 H GLY 24 2.058 -18.545 3.246 161 HA2 GLY 24 HA2 GLY 24 1.274 -17.051 4.901 162 HA3 GLY 24 HA3 GLY 24 2.506 -17.658 5.997 163 H GLU 25 H GLU 25 4.074 -17.211 3.144 164 HA GLU 25 HA GLU 25 5.042 -14.597 4.034 165 HB2 GLU 25 HB2 GLU 25 6.278 -16.924 2.743 166 HB3 GLU 25 HB3 GLU 25 6.788 -15.371 2.103 167 HG2 GLU 25 HG2 GLU 25 8.303 -16.090 3.813 168 HG3 GLU 25 HG3 GLU 25 7.422 -14.666 4.359 169 H ALA 26 H ALA 26 5.566 -12.990 2.514 170 HA ALA 26 HA ALA 26 3.844 -12.999 0.131 171 HB1 ALA 26 HB1 ALA 26 4.778 -10.755 1.922 172 HB2 ALA 26 HB2 ALA 26 3.122 -11.318 1.677 173 HB3 ALA 26 HB3 ALA 26 3.979 -10.497 0.375 174 H TYR 27 H TYR 27 4.923 -13.031 -1.766 175 HA TYR 27 HA TYR 27 7.624 -11.870 -1.839 176 HB2 TYR 27 HB2 TYR 27 6.652 -14.317 -3.320 177 HB3 TYR 27 HB3 TYR 27 8.240 -13.584 -3.484 178 HD1 TYR 27 HD1 TYR 27 6.071 -15.625 -1.367 179 HD2 TYR 27 HD2 TYR 27 9.915 -13.854 -1.741 180 HE1 TYR 27 HE1 TYR 27 6.896 -17.071 0.427 181 HE2 TYR 27 HE2 TYR 27 10.760 -15.292 0.060 182 HH TYR 27 HH TYR 27 8.982 -17.961 1.260 183 H CYS 28 H CYS 28 8.234 -10.929 -3.875 184 HA CYS 28 HA CYS 28 6.234 -9.448 -5.121 185 HB2 CYS 28 HB2 CYS 28 7.995 -8.908 -6.818 186 HB3 CYS 28 HB3 CYS 28 8.500 -8.660 -5.155 187 H SER 29 H SER 29 7.565 -12.582 -5.898 188 HA SER 29 HA SER 29 5.425 -12.962 -7.829 189 HB2 SER 29 HB2 SER 29 7.351 -12.156 -9.137 190 HB3 SER 29 HB3 SER 29 8.318 -13.489 -8.507 191 HG SER 29 HG SER 29 6.383 -13.457 -10.466 192 H GLN 30 H GLN 30 5.416 -15.296 -8.595 193 HA GLN 30 HA GLN 30 5.367 -16.941 -6.311 194 HB2 GLN 30 HB2 GLN 30 4.699 -18.774 -7.836 195 HB3 GLN 30 HB3 GLN 30 3.735 -17.325 -8.048 196 HG2 GLN 30 HG2 GLN 30 6.048 -17.569 -9.858 197 HG3 GLN 30 HG3 GLN 30 4.790 -18.785 -10.066 198 HE21 GLN 30 HE21 GLN 30 5.620 -15.430 -10.359 199 HE22 GLN 30 HE22 GLN 30 4.202 -14.942 -11.217 200 H ALA 31 H ALA 31 7.831 -16.304 -8.652 201 HA ALA 31 HA ALA 31 9.281 -18.713 -8.471 202 HB1 ALA 31 HB1 ALA 31 11.167 -17.509 -9.390 203 HB2 ALA 31 HB2 ALA 31 10.407 -15.963 -9.002 204 HB3 ALA 31 HB3 ALA 31 9.689 -17.023 -10.216 205 H CYS 32 H CYS 32 9.689 -15.661 -6.633 206 HA CYS 32 HA CYS 32 11.710 -16.661 -4.928 207 HB2 CYS 32 HB2 CYS 32 9.744 -14.384 -4.615 208 HB3 CYS 32 HB3 CYS 32 10.888 -14.792 -3.346 209 H ALA 33 H ALA 33 8.182 -16.623 -4.698 210 HA ALA 33 HA ALA 33 7.876 -17.618 -2.118 211 HB1 ALA 33 HB1 ALA 33 6.086 -18.130 -4.488 212 HB2 ALA 33 HB2 ALA 33 6.060 -16.681 -3.478 213 HB3 ALA 33 HB3 ALA 33 5.649 -18.245 -2.783 214 H GLU 34 H GLU 34 8.301 -19.334 -5.161 215 HA GLU 34 HA GLU 34 8.051 -21.934 -3.959 216 HB2 GLU 34 HB2 GLU 34 8.727 -20.897 -6.682 217 HB3 GLU 34 HB3 GLU 34 9.033 -22.574 -6.284 218 HG2 GLU 34 HG2 GLU 34 6.343 -21.309 -5.953 219 HG3 GLU 34 HG3 GLU 34 6.871 -22.048 -7.463 220 H GLN 35 H GLN 35 10.389 -19.736 -3.620 221 HA GLN 35 HA GLN 35 12.552 -19.756 -2.965 222 HB2 GLN 35 HB2 GLN 35 12.152 -22.739 -2.633 223 HB3 GLN 35 HB3 GLN 35 13.451 -21.787 -1.930 224 HG2 GLN 35 HG2 GLN 35 11.734 -20.512 -0.656 225 HG3 GLN 35 HG3 GLN 35 10.519 -21.606 -1.294 226 HE21 GLN 35 HE21 GLN 35 10.432 -23.706 -0.575 227 HE22 GLN 35 HE22 GLN 35 11.254 -24.246 0.844 228 H HIS 36 H HIS 36 11.877 -20.021 -5.736 229 HA HIS 36 HA HIS 36 12.822 -20.306 -7.780 230 HB2 HIS 36 HB2 HIS 36 15.447 -20.555 -6.284 231 HB3 HIS 36 HB3 HIS 36 15.237 -20.108 -7.978 232 HD1 HIS 36 HD1 HIS 36 15.056 -17.661 -8.450 233 HD2 HIS 36 HD2 HIS 36 14.335 -18.535 -4.455 234 HE1 HIS 36 HE1 HIS 36 14.914 -15.452 -7.305 235 HA PRO 37 HA PRO 37 13.023 -24.930 -7.148 236 HB2 PRO 37 HB2 PRO 37 10.811 -25.545 -8.541 237 HB3 PRO 37 HB3 PRO 37 10.731 -25.011 -6.857 238 HG2 PRO 37 HG2 PRO 37 10.327 -23.422 -9.363 239 HG3 PRO 37 HG3 PRO 37 9.318 -23.467 -7.908 240 HD2 PRO 37 HD2 PRO 37 11.122 -21.499 -8.337 241 HD3 PRO 37 HD3 PRO 37 10.783 -22.106 -6.707 242 H ASN 38 H ASN 38 12.330 -23.015 -10.038 243 HA ASN 38 HA ASN 38 13.532 -25.095 -11.713 244 HB2 ASN 38 HB2 ASN 38 12.029 -22.577 -12.455 245 HB3 ASN 38 HB3 ASN 38 12.742 -23.681 -13.623 246 HD21 ASN 38 HD21 ASN 38 12.039 -26.070 -12.088 247 HD22 ASN 38 HD22 ASN 38 10.333 -26.267 -12.277 248 H GLY 39 H GLY 39 14.604 -22.639 -9.931 249 HA2 GLY 39 HA2 GLY 39 16.642 -21.555 -9.902 250 HA3 GLY 39 HA3 GLY 39 17.045 -22.375 -11.401 251 H GLU 40 H GLU 40 14.246 -20.346 -10.857 252 HA GLU 40 HA GLU 40 15.361 -18.461 -12.783 253 HB2 GLU 40 HB2 GLU 40 13.029 -17.843 -13.292 254 HB3 GLU 40 HB3 GLU 40 13.397 -19.522 -13.641 255 HG2 GLU 40 HG2 GLU 40 12.352 -20.148 -11.502 256 HG3 GLU 40 HG3 GLU 40 11.881 -18.462 -11.289 257 HA PRO 41 HA PRO 41 15.250 -15.372 -9.526 258 HB2 PRO 41 HB2 PRO 41 15.376 -13.379 -11.672 259 HB3 PRO 41 HB3 PRO 41 16.582 -13.765 -10.442 260 HG2 PRO 41 HG2 PRO 41 16.941 -14.370 -13.044 261 HG3 PRO 41 HG3 PRO 41 17.583 -15.381 -11.739 262 HD2 PRO 41 HD2 PRO 41 15.132 -15.781 -13.416 263 HD3 PRO 41 HD3 PRO 41 16.363 -16.957 -12.902 264 H CYS 42 H CYS 42 14.159 -12.969 -9.462 265 HA CYS 42 HA CYS 42 11.327 -13.450 -9.860 266 HB2 CYS 42 HB2 CYS 42 10.973 -11.547 -8.416 267 HB3 CYS 42 HB3 CYS 42 12.233 -12.540 -7.696 268 HA PRO 43 HA PRO 43 10.941 -10.932 -13.477 269 HB2 PRO 43 HB2 PRO 43 8.468 -9.868 -13.179 270 HB3 PRO 43 HB3 PRO 43 8.735 -11.582 -13.523 271 HG2 PRO 43 HG2 PRO 43 8.190 -10.245 -10.895 272 HG3 PRO 43 HG3 PRO 43 7.471 -11.721 -11.565 273 HD2 PRO 43 HD2 PRO 43 9.460 -11.788 -9.740 274 HD3 PRO 43 HD3 PRO 43 9.309 -13.015 -11.014 275 H HIS 44 H HIS 44 12.535 -9.538 -11.639 276 HA HIS 44 HA HIS 44 11.716 -6.766 -12.154 277 HB2 HIS 44 HB2 HIS 44 12.629 -7.899 -9.509 278 HB3 HIS 44 HB3 HIS 44 12.727 -6.183 -9.881 279 HD2 HIS 44 HD2 HIS 44 10.373 -4.795 -9.598 280 HE1 HIS 44 HE1 HIS 44 7.924 -8.124 -8.663 281 HE2 HIS 44 HE2 HIS 44 8.010 -5.633 -8.969 282 HA PRO 45 HA PRO 45 15.961 -6.914 -13.590 283 HB2 PRO 45 HB2 PRO 45 16.061 -4.475 -14.714 284 HB3 PRO 45 HB3 PRO 45 15.154 -5.799 -15.456 285 HG2 PRO 45 HG2 PRO 45 14.157 -3.498 -13.832 286 HG3 PRO 45 HG3 PRO 45 13.460 -4.229 -15.283 287 HD2 PRO 45 HD2 PRO 45 12.591 -4.768 -12.720 288 HD3 PRO 45 HD3 PRO 45 12.394 -5.866 -14.096 289 H ASP 46 H ASP 46 14.983 -5.765 -10.883 290 HA ASP 46 HA ASP 46 16.823 -3.609 -10.359 291 HB2 ASP 46 HB2 ASP 46 14.622 -3.684 -9.272 292 HB3 ASP 46 HB3 ASP 46 15.056 -5.195 -8.486 293 H CYS 47 H CYS 47 16.625 -7.056 -9.780 294 HA CYS 47 HA CYS 47 19.433 -7.077 -8.990 295 HB2 CYS 47 HB2 CYS 47 19.033 -8.380 -7.013 296 HB3 CYS 47 HB3 CYS 47 18.024 -6.939 -6.907 297 H HIS 48 H HIS 48 19.791 -9.640 -8.422 298 HA HIS 48 HA HIS 48 18.326 -11.290 -10.315 299 HB2 HIS 48 HB2 HIS 48 20.345 -10.479 -11.528 300 HB3 HIS 48 HB3 HIS 48 21.357 -11.170 -10.266 301 HD1 HIS 48 HD1 HIS 48 21.941 -13.636 -10.472 302 HD2 HIS 48 HD2 HIS 48 18.958 -12.450 -13.120 303 HE1 HIS 48 HE1 HIS 48 21.606 -15.572 -12.023 304 HE2 HIS 48 HE2 HIS 48 19.739 -14.879 -13.560 305 H CYS 49 H CYS 49 17.488 -11.888 -8.137 306 HA CYS 49 HA CYS 49 19.313 -13.428 -6.495 307 HB2 CYS 49 HB2 CYS 49 17.399 -13.733 -5.011 308 HB3 CYS 49 HB3 CYS 49 17.579 -12.034 -5.432 309 H GLU 50 H GLU 50 19.316 -15.624 -6.320 310 HA GLU 50 HA GLU 50 17.341 -17.304 -7.428 311 HB2 GLU 50 HB2 GLU 50 18.785 -16.242 -9.403 312 HB3 GLU 50 HB3 GLU 50 19.892 -17.540 -8.969 313 HG2 GLU 50 HG2 GLU 50 17.043 -18.187 -9.420 314 HG3 GLU 50 HG3 GLU 50 18.053 -17.822 -10.821 315 H ARG 51 H ARG 51 18.210 -19.648 -7.365 316 HA ARG 51 HA ARG 51 19.611 -19.785 -4.841 317 HB2 ARG 51 HB2 ARG 51 18.883 -22.061 -4.697 318 HB3 ARG 51 HB3 ARG 51 17.521 -21.061 -5.178 319 HG2 ARG 51 HG2 ARG 51 17.712 -21.800 -7.443 320 HG3 ARG 51 HG3 ARG 51 19.199 -22.676 -7.068 321 HD2 ARG 51 HD2 ARG 51 17.937 -24.035 -5.463 322 HD3 ARG 51 HD3 ARG 51 16.452 -23.235 -5.992 323 HE ARG 51 HE ARG 51 17.893 -24.349 -8.185 324 HH11 ARG 51 HH11 ARG 51 15.712 -25.182 -5.578 325 HH12 ARG 51 HH12 ARG 51 15.113 -26.606 -6.346 326 HH21 ARG 51 HH21 ARG 51 17.118 -26.224 -9.220 327 HH22 ARG 51 HH22 ARG 51 15.922 -27.205 -8.449 328 H SER 52 H SER 52 21.160 -21.607 -4.530 329 HA SER 52 HA SER 52 23.183 -22.493 -4.900 330 HB2 SER 52 HB2 SER 52 22.190 -22.718 -7.749 331 HB3 SER 52 HB3 SER 52 23.595 -23.558 -7.092 332 HG SER 52 HG SER 52 21.169 -24.437 -7.089 Start of MODEL 14 1 HA ASN 1 HA ASN 1 -0.934 -1.178 2.816 2 HB2 ASN 1 HB2 ASN 1 -0.680 -0.143 5.018 3 HB3 ASN 1 HB3 ASN 1 0.981 -0.712 5.114 4 HD21 ASN 1 HD21 ASN 1 -1.187 1.547 3.609 5 HD22 ASN 1 HD22 ASN 1 0.033 2.594 2.967 6 H GLU 2 H GLU 2 2.133 -2.408 4.155 7 HA GLU 2 HA GLU 2 3.135 -2.520 1.407 8 HB2 GLU 2 HB2 GLU 2 5.362 -1.768 2.235 9 HB3 GLU 2 HB3 GLU 2 4.117 -0.534 2.326 10 HG2 GLU 2 HG2 GLU 2 3.881 -0.907 4.709 11 HG3 GLU 2 HG3 GLU 2 5.055 -2.219 4.639 12 H LEU 3 H LEU 3 3.604 -4.537 0.926 13 HA LEU 3 HA LEU 3 4.428 -6.331 3.067 14 HB2 LEU 3 HB2 LEU 3 3.294 -6.783 0.320 15 HB3 LEU 3 HB3 LEU 3 4.073 -8.074 1.207 16 HG LEU 3 HG LEU 3 1.679 -8.237 1.411 17 HD11 LEU 3 HD11 LEU 3 1.456 -8.310 3.834 18 HD12 LEU 3 HD12 LEU 3 2.911 -7.329 4.004 19 HD13 LEU 3 HD13 LEU 3 3.016 -8.949 3.313 20 HD21 LEU 3 HD21 LEU 3 1.764 -5.475 2.611 21 HD22 LEU 3 HD22 LEU 3 0.351 -6.529 2.573 22 HD23 LEU 3 HD23 LEU 3 1.042 -5.928 1.067 23 H ARG 4 H ARG 4 6.408 -7.135 3.148 24 HA ARG 4 HA ARG 4 8.288 -6.327 1.072 25 HB2 ARG 4 HB2 ARG 4 8.514 -7.000 3.948 26 HB3 ARG 4 HB3 ARG 4 9.888 -7.345 2.908 27 HG2 ARG 4 HG2 ARG 4 9.993 -5.033 2.224 28 HG3 ARG 4 HG3 ARG 4 8.567 -4.658 3.197 29 HD2 ARG 4 HD2 ARG 4 10.806 -4.102 4.220 30 HD3 ARG 4 HD3 ARG 4 9.713 -5.077 5.205 31 HE ARG 4 HE ARG 4 11.148 -6.982 4.020 32 HH11 ARG 4 HH11 ARG 4 12.237 -4.041 5.586 33 HH12 ARG 4 HH12 ARG 4 13.731 -4.730 6.113 34 HH21 ARG 4 HH21 ARG 4 13.118 -7.888 4.695 35 HH22 ARG 4 HH22 ARG 4 14.253 -6.928 5.583 36 H CYS 5 H CYS 5 9.603 -7.825 0.030 37 HA CYS 5 HA CYS 5 8.453 -10.361 -0.419 38 HB2 CYS 5 HB2 CYS 5 9.920 -9.044 -2.036 39 HB3 CYS 5 HB3 CYS 5 11.295 -9.597 -1.081 40 H GLY 6 H GLY 6 8.811 -12.283 0.476 41 HA2 GLY 6 HA2 GLY 6 10.171 -12.454 2.966 42 HA3 GLY 6 HA3 GLY 6 9.466 -13.796 2.081 43 H CYS 7 H CYS 7 11.289 -12.736 -0.234 44 HA CYS 7 HA CYS 7 13.321 -14.654 0.159 45 HB2 CYS 7 HB2 CYS 7 12.420 -14.005 -2.064 46 HB3 CYS 7 HB3 CYS 7 13.181 -12.432 -1.884 47 HA PRO 8 HA PRO 8 16.006 -11.989 2.552 48 HB2 PRO 8 HB2 PRO 8 17.983 -13.763 2.952 49 HB3 PRO 8 HB3 PRO 8 16.419 -13.920 3.763 50 HG2 PRO 8 HG2 PRO 8 17.439 -15.340 1.332 51 HG3 PRO 8 HG3 PRO 8 16.553 -15.997 2.720 52 HD2 PRO 8 HD2 PRO 8 15.361 -15.375 0.339 53 HD3 PRO 8 HD3 PRO 8 14.519 -15.320 1.899 54 H ASP 9 H ASP 9 16.482 -13.119 -0.552 55 HA ASP 9 HA ASP 9 19.057 -11.715 -0.833 56 HB2 ASP 9 HB2 ASP 9 17.801 -13.890 -2.516 57 HB3 ASP 9 HB3 ASP 9 19.248 -13.010 -2.984 58 H CYS 10 H CYS 10 15.943 -11.053 -1.062 59 HA CYS 10 HA CYS 10 16.271 -9.326 -3.372 60 HB2 CYS 10 HB2 CYS 10 15.447 -11.245 -4.437 61 HB3 CYS 10 HB3 CYS 10 14.280 -11.554 -3.161 62 H HIS 11 H HIS 11 15.450 -7.384 -2.958 63 HA HIS 11 HA HIS 11 13.291 -7.148 -0.976 64 HB2 HIS 11 HB2 HIS 11 15.582 -5.317 -1.609 65 HB3 HIS 11 HB3 HIS 11 14.123 -4.709 -0.837 66 HD2 HIS 11 HD2 HIS 11 13.565 -6.612 1.556 67 HE1 HIS 11 HE1 HIS 11 17.706 -6.461 2.434 68 HE2 HIS 11 HE2 HIS 11 15.448 -7.226 3.214 69 H CYS 12 H CYS 12 11.436 -7.042 -2.097 70 HA CYS 12 HA CYS 12 11.198 -4.904 -4.098 71 HB2 CYS 12 HB2 CYS 12 10.154 -7.740 -4.369 72 HB3 CYS 12 HB3 CYS 12 9.565 -6.410 -5.353 73 H LYS 13 H LYS 13 9.433 -3.602 -3.806 74 HA LYS 13 HA LYS 13 7.803 -3.947 -1.477 75 HB2 LYS 13 HB2 LYS 13 8.475 -1.711 -2.624 76 HB3 LYS 13 HB3 LYS 13 7.184 -2.048 -3.759 77 HG2 LYS 13 HG2 LYS 13 6.704 -1.862 -0.780 78 HG3 LYS 13 HG3 LYS 13 6.652 -0.454 -1.835 79 HD2 LYS 13 HD2 LYS 13 4.860 -1.593 -3.161 80 HD3 LYS 13 HD3 LYS 13 4.878 -2.905 -1.986 81 HE2 LYS 13 HE2 LYS 13 3.077 -1.490 -1.389 82 HE3 LYS 13 HE3 LYS 13 4.362 -1.174 -0.226 83 HZ1 LYS 13 HZ1 LYS 13 3.334 0.868 -1.010 84 HZ2 LYS 13 HZ2 LYS 13 3.746 0.492 -2.607 85 HZ3 LYS 13 HZ3 LYS 13 4.957 0.806 -1.477 86 H VAL 14 H VAL 14 6.349 -5.491 -1.394 87 HA VAL 14 HA VAL 14 4.981 -6.323 -3.827 88 HB VAL 14 HB VAL 14 4.712 -7.557 -1.087 89 HG11 VAL 14 HG11 VAL 14 3.018 -8.160 -2.714 90 HG12 VAL 14 HG12 VAL 14 4.066 -9.530 -2.348 91 HG13 VAL 14 HG13 VAL 14 4.272 -8.642 -3.857 92 HG21 VAL 14 HG21 VAL 14 6.428 -9.178 -1.762 93 HG22 VAL 14 HG22 VAL 14 7.082 -7.543 -1.667 94 HG23 VAL 14 HG23 VAL 14 6.713 -8.253 -3.237 95 H ASP 15 H ASP 15 2.837 -6.078 -4.144 96 HA ASP 15 HA ASP 15 1.459 -4.266 -2.342 97 HB2 ASP 15 HB2 ASP 15 1.026 -5.110 -5.184 98 HB3 ASP 15 HB3 ASP 15 -0.245 -4.326 -4.266 99 HA PRO 16 HA PRO 16 -0.914 -7.544 -0.560 100 HB2 PRO 16 HB2 PRO 16 -2.945 -6.050 0.467 101 HB3 PRO 16 HB3 PRO 16 -1.336 -6.115 1.192 102 HG2 PRO 16 HG2 PRO 16 -2.515 -4.039 -0.615 103 HG3 PRO 16 HG3 PRO 16 -1.534 -3.824 0.847 104 HD2 PRO 16 HD2 PRO 16 -0.492 -3.607 -1.632 105 HD3 PRO 16 HD3 PRO 16 0.444 -4.248 -0.266 106 H GLU 17 H GLU 17 -2.067 -5.488 -3.067 107 HA GLU 17 HA GLU 17 -4.667 -6.616 -3.265 108 HB2 GLU 17 HB2 GLU 17 -4.716 -5.430 -5.477 109 HB3 GLU 17 HB3 GLU 17 -4.388 -4.393 -4.098 110 HG2 GLU 17 HG2 GLU 17 -2.044 -4.398 -4.624 111 HG3 GLU 17 HG3 GLU 17 -2.322 -5.495 -5.973 112 H ARG 18 H ARG 18 -1.517 -7.265 -4.598 113 HA ARG 18 HA ARG 18 -2.514 -9.738 -5.732 114 HB2 ARG 18 HB2 ARG 18 -1.085 -7.635 -7.368 115 HB3 ARG 18 HB3 ARG 18 -1.357 -9.292 -7.900 116 HG2 ARG 18 HG2 ARG 18 -3.717 -8.985 -7.919 117 HG3 ARG 18 HG3 ARG 18 -3.562 -7.434 -7.084 118 HD2 ARG 18 HD2 ARG 18 -2.313 -7.891 -9.770 119 HD3 ARG 18 HD3 ARG 18 -4.008 -7.427 -9.622 120 HE ARG 18 HE ARG 18 -3.007 -5.495 -8.215 121 HH11 ARG 18 HH11 ARG 18 -1.507 -6.878 -11.073 122 HH12 ARG 18 HH12 ARG 18 -0.731 -5.404 -11.525 123 HH21 ARG 18 HH21 ARG 18 -1.990 -3.576 -8.793 124 HH22 ARG 18 HH22 ARG 18 -0.984 -3.509 -10.208 125 H VAL 19 H VAL 19 -1.313 -10.515 -3.924 126 HA VAL 19 HA VAL 19 1.582 -10.661 -4.448 127 HB VAL 19 HB VAL 19 1.407 -9.391 -2.437 128 HG11 VAL 19 HG11 VAL 19 -0.902 -9.786 -1.861 129 HG12 VAL 19 HG12 VAL 19 0.130 -10.162 -0.477 130 HG13 VAL 19 HG13 VAL 19 -0.542 -11.466 -1.457 131 HG21 VAL 19 HG21 VAL 19 2.429 -10.837 -0.776 132 HG22 VAL 19 HG22 VAL 19 3.067 -11.199 -2.382 133 HG23 VAL 19 HG23 VAL 19 1.869 -12.261 -1.646 134 H PHE 20 H PHE 20 2.439 -12.647 -4.606 135 HA PHE 20 HA PHE 20 0.707 -14.908 -4.487 136 HB2 PHE 20 HB2 PHE 20 2.722 -14.533 -6.066 137 HB3 PHE 20 HB3 PHE 20 3.704 -15.043 -4.697 138 HD1 PHE 20 HD1 PHE 20 1.264 -16.048 -7.170 139 HD2 PHE 20 HD2 PHE 20 3.661 -17.337 -3.920 140 HE1 PHE 20 HE1 PHE 20 0.821 -18.402 -7.788 141 HE2 PHE 20 HE2 PHE 20 3.238 -19.687 -4.518 142 HZ PHE 20 HZ PHE 20 1.812 -20.222 -6.455 143 H ASN 21 H ASN 21 0.155 -15.773 -2.636 144 HA ASN 21 HA ASN 21 1.840 -15.470 -0.287 145 HB2 ASN 21 HB2 ASN 21 -0.941 -16.593 -0.666 146 HB3 ASN 21 HB3 ASN 21 -0.102 -16.572 0.879 147 HD21 ASN 21 HD21 ASN 21 1.135 -13.989 0.448 148 HD22 ASN 21 HD22 ASN 21 -0.122 -12.818 0.621 149 H HIS 22 H HIS 22 3.081 -17.032 0.517 150 HA HIS 22 HA HIS 22 2.543 -19.812 -0.102 151 HB2 HIS 22 HB2 HIS 22 3.907 -18.899 -2.018 152 HB3 HIS 22 HB3 HIS 22 5.205 -18.633 -0.861 153 HD2 HIS 22 HD2 HIS 22 6.122 -21.137 0.367 154 HE1 HIS 22 HE1 HIS 22 4.889 -23.418 -2.984 155 HE2 HIS 22 HE2 HIS 22 6.358 -23.357 -0.942 156 H ASP 23 H ASP 23 2.785 -20.855 1.698 157 HA ASP 23 HA ASP 23 3.550 -21.599 3.699 158 HB2 ASP 23 HB2 ASP 23 5.694 -21.696 2.322 159 HB3 ASP 23 HB3 ASP 23 6.146 -20.174 3.077 160 H GLY 24 H GLY 24 2.450 -18.791 3.303 161 HA2 GLY 24 HA2 GLY 24 1.601 -17.421 5.007 162 HA3 GLY 24 HA3 GLY 24 2.903 -17.952 6.055 163 H GLU 25 H GLU 25 4.301 -17.192 3.143 164 HA GLU 25 HA GLU 25 4.966 -14.515 4.143 165 HB2 GLU 25 HB2 GLU 25 6.507 -16.519 2.562 166 HB3 GLU 25 HB3 GLU 25 6.901 -14.817 2.407 167 HG2 GLU 25 HG2 GLU 25 8.363 -15.790 4.003 168 HG3 GLU 25 HG3 GLU 25 7.244 -14.729 4.853 169 H ALA 26 H ALA 26 5.641 -12.955 2.452 170 HA ALA 26 HA ALA 26 3.763 -12.977 0.171 171 HB1 ALA 26 HB1 ALA 26 3.851 -10.473 0.421 172 HB2 ALA 26 HB2 ALA 26 4.708 -10.725 1.943 173 HB3 ALA 26 HB3 ALA 26 3.061 -11.324 1.748 174 H TYR 27 H TYR 27 4.851 -13.176 -1.705 175 HA TYR 27 HA TYR 27 7.521 -11.941 -1.888 176 HB2 TYR 27 HB2 TYR 27 6.536 -14.368 -3.389 177 HB3 TYR 27 HB3 TYR 27 8.155 -13.689 -3.433 178 HD1 TYR 27 HD1 TYR 27 5.734 -15.549 -1.366 179 HD2 TYR 27 HD2 TYR 27 9.757 -14.223 -1.732 180 HE1 TYR 27 HE1 TYR 27 6.391 -17.084 0.428 181 HE2 TYR 27 HE2 TYR 27 10.430 -15.755 0.068 182 HH TYR 27 HH TYR 27 8.322 -18.195 1.286 183 H CYS 28 H CYS 28 8.085 -11.061 -3.986 184 HA CYS 28 HA CYS 28 6.006 -9.662 -5.229 185 HB2 CYS 28 HB2 CYS 28 7.755 -9.127 -6.975 186 HB3 CYS 28 HB3 CYS 28 8.189 -8.722 -5.323 187 H SER 29 H SER 29 7.554 -12.718 -6.035 188 HA SER 29 HA SER 29 5.358 -13.272 -7.882 189 HB2 SER 29 HB2 SER 29 7.275 -12.448 -9.267 190 HB3 SER 29 HB3 SER 29 8.250 -13.772 -8.628 191 HG SER 29 HG SER 29 6.144 -13.822 -10.450 192 H GLN 30 H GLN 30 5.396 -15.619 -8.544 193 HA GLN 30 HA GLN 30 5.499 -17.224 -6.227 194 HB2 GLN 30 HB2 GLN 30 4.941 -19.117 -7.771 195 HB3 GLN 30 HB3 GLN 30 3.845 -17.750 -7.872 196 HG2 GLN 30 HG2 GLN 30 4.151 -18.334 -10.079 197 HG3 GLN 30 HG3 GLN 30 5.297 -17.015 -9.866 198 HE21 GLN 30 HE21 GLN 30 6.730 -17.528 -11.362 199 HE22 GLN 30 HE22 GLN 30 7.670 -18.977 -11.404 200 H ALA 31 H ALA 31 7.863 -16.483 -8.634 201 HA ALA 31 HA ALA 31 9.435 -18.805 -8.453 202 HB1 ALA 31 HB1 ALA 31 11.258 -17.505 -9.368 203 HB2 ALA 31 HB2 ALA 31 10.406 -16.002 -9.000 204 HB3 ALA 31 HB3 ALA 31 9.756 -17.118 -10.203 205 H CYS 32 H CYS 32 9.616 -15.768 -6.581 206 HA CYS 32 HA CYS 32 11.688 -16.716 -4.877 207 HB2 CYS 32 HB2 CYS 32 9.690 -14.468 -4.574 208 HB3 CYS 32 HB3 CYS 32 10.900 -14.829 -3.352 209 H ALA 33 H ALA 33 8.160 -16.664 -4.681 210 HA ALA 33 HA ALA 33 7.816 -17.619 -2.091 211 HB1 ALA 33 HB1 ALA 33 6.029 -16.705 -3.516 212 HB2 ALA 33 HB2 ALA 33 5.599 -18.248 -2.784 213 HB3 ALA 33 HB3 ALA 33 6.072 -18.182 -4.480 214 H GLU 34 H GLU 34 8.200 -19.373 -5.108 215 HA GLU 34 HA GLU 34 7.995 -21.961 -3.887 216 HB2 GLU 34 HB2 GLU 34 8.592 -20.912 -6.623 217 HB3 GLU 34 HB3 GLU 34 8.861 -22.605 -6.254 218 HG2 GLU 34 HG2 GLU 34 6.226 -21.349 -5.655 219 HG3 GLU 34 HG3 GLU 34 6.624 -21.837 -7.302 220 H GLN 35 H GLN 35 10.318 -19.731 -3.656 221 HA GLN 35 HA GLN 35 12.492 -19.708 -3.063 222 HB2 GLN 35 HB2 GLN 35 12.145 -22.682 -2.632 223 HB3 GLN 35 HB3 GLN 35 13.424 -21.675 -1.964 224 HG2 GLN 35 HG2 GLN 35 11.666 -20.371 -0.763 225 HG3 GLN 35 HG3 GLN 35 10.487 -21.544 -1.329 226 HE21 GLN 35 HE21 GLN 35 10.501 -23.622 -0.490 227 HE22 GLN 35 HE22 GLN 35 11.343 -24.009 0.972 228 H HIS 36 H HIS 36 11.772 -20.025 -5.781 229 HA HIS 36 HA HIS 36 12.677 -20.301 -7.835 230 HB2 HIS 36 HB2 HIS 36 15.327 -20.609 -6.409 231 HB3 HIS 36 HB3 HIS 36 15.079 -20.132 -8.089 232 HD1 HIS 36 HD1 HIS 36 14.663 -17.669 -8.533 233 HD2 HIS 36 HD2 HIS 36 14.555 -18.617 -4.492 234 HE1 HIS 36 HE1 HIS 36 14.606 -15.482 -7.337 235 HA PRO 37 HA PRO 37 12.840 -24.907 -7.291 236 HB2 PRO 37 HB2 PRO 37 10.570 -25.514 -8.548 237 HB3 PRO 37 HB3 PRO 37 10.535 -24.885 -6.894 238 HG2 PRO 37 HG2 PRO 37 10.144 -23.417 -9.482 239 HG3 PRO 37 HG3 PRO 37 9.117 -23.385 -8.030 240 HD2 PRO 37 HD2 PRO 37 10.962 -21.458 -8.518 241 HD3 PRO 37 HD3 PRO 37 10.588 -21.991 -6.868 242 H ASN 38 H ASN 38 12.282 -22.790 -9.984 243 HA ASN 38 HA ASN 38 13.200 -24.843 -11.870 244 HB2 ASN 38 HB2 ASN 38 10.993 -23.308 -12.024 245 HB3 ASN 38 HB3 ASN 38 12.138 -22.268 -12.864 246 HD21 ASN 38 HD21 ASN 38 10.587 -25.362 -12.825 247 HD22 ASN 38 HD22 ASN 38 10.886 -25.756 -14.475 248 H GLY 39 H GLY 39 14.613 -22.765 -9.994 249 HA2 GLY 39 HA2 GLY 39 16.586 -21.599 -10.029 250 HA3 GLY 39 HA3 GLY 39 16.922 -22.399 -11.550 251 H GLU 40 H GLU 40 14.187 -20.317 -10.970 252 HA GLU 40 HA GLU 40 15.336 -18.382 -12.845 253 HB2 GLU 40 HB2 GLU 40 12.933 -17.712 -13.198 254 HB3 GLU 40 HB3 GLU 40 13.405 -19.285 -13.812 255 HG2 GLU 40 HG2 GLU 40 12.450 -20.319 -11.798 256 HG3 GLU 40 HG3 GLU 40 11.881 -18.726 -11.298 257 HA PRO 41 HA PRO 41 15.160 -15.404 -9.531 258 HB2 PRO 41 HB2 PRO 41 15.592 -13.179 -11.010 259 HB3 PRO 41 HB3 PRO 41 16.879 -14.343 -10.666 260 HG2 PRO 41 HG2 PRO 41 15.217 -14.033 -13.137 261 HG3 PRO 41 HG3 PRO 41 16.959 -14.327 -12.993 262 HD2 PRO 41 HD2 PRO 41 15.154 -16.298 -13.541 263 HD3 PRO 41 HD3 PRO 41 16.673 -16.589 -12.669 264 H CYS 42 H CYS 42 14.039 -13.001 -9.400 265 HA CYS 42 HA CYS 42 11.235 -13.481 -9.918 266 HB2 CYS 42 HB2 CYS 42 10.826 -11.541 -8.527 267 HB3 CYS 42 HB3 CYS 42 12.054 -12.525 -7.746 268 HA PRO 43 HA PRO 43 10.953 -10.998 -13.573 269 HB2 PRO 43 HB2 PRO 43 8.449 -10.007 -13.430 270 HB3 PRO 43 HB3 PRO 43 8.770 -11.725 -13.688 271 HG2 PRO 43 HG2 PRO 43 8.068 -10.296 -11.148 272 HG3 PRO 43 HG3 PRO 43 7.412 -11.813 -11.793 273 HD2 PRO 43 HD2 PRO 43 9.322 -11.748 -9.878 274 HD3 PRO 43 HD3 PRO 43 9.225 -13.043 -11.086 275 H HIS 44 H HIS 44 12.378 -9.555 -11.586 276 HA HIS 44 HA HIS 44 11.549 -6.795 -12.201 277 HB2 HIS 44 HB2 HIS 44 12.483 -7.923 -9.560 278 HB3 HIS 44 HB3 HIS 44 12.594 -6.207 -9.927 279 HD2 HIS 44 HD2 HIS 44 10.256 -4.800 -9.625 280 HE1 HIS 44 HE1 HIS 44 7.783 -8.101 -8.655 281 HE2 HIS 44 HE2 HIS 44 8.059 -5.611 -8.525 282 HA PRO 45 HA PRO 45 15.803 -6.829 -13.708 283 HB2 PRO 45 HB2 PRO 45 15.932 -4.299 -14.600 284 HB3 PRO 45 HB3 PRO 45 14.973 -5.525 -15.438 285 HG2 PRO 45 HG2 PRO 45 14.071 -3.410 -13.514 286 HG3 PRO 45 HG3 PRO 45 13.348 -3.892 -15.059 287 HD2 PRO 45 HD2 PRO 45 12.413 -4.771 -12.649 288 HD3 PRO 45 HD3 PRO 45 12.301 -5.724 -14.141 289 H ASP 46 H ASP 46 14.921 -5.875 -10.858 290 HA ASP 46 HA ASP 46 16.848 -3.801 -10.283 291 HB2 ASP 46 HB2 ASP 46 14.635 -3.912 -9.138 292 HB3 ASP 46 HB3 ASP 46 15.161 -5.393 -8.347 293 H CYS 47 H CYS 47 16.538 -7.271 -9.855 294 HA CYS 47 HA CYS 47 19.352 -7.405 -9.176 295 HB2 CYS 47 HB2 CYS 47 18.979 -8.743 -7.175 296 HB3 CYS 47 HB3 CYS 47 18.209 -7.169 -7.008 297 H HIS 48 H HIS 48 19.618 -9.966 -8.519 298 HA HIS 48 HA HIS 48 18.111 -11.644 -10.354 299 HB2 HIS 48 HB2 HIS 48 20.253 -10.713 -11.471 300 HB3 HIS 48 HB3 HIS 48 21.132 -11.728 -10.338 301 HD1 HIS 48 HD1 HIS 48 19.997 -11.764 -13.669 302 HD2 HIS 48 HD2 HIS 48 20.050 -14.596 -10.624 303 HE1 HIS 48 HE1 HIS 48 19.801 -13.991 -14.812 304 HE2 HIS 48 HE2 HIS 48 19.992 -15.690 -12.964 305 H CYS 49 H CYS 49 17.350 -12.142 -8.117 306 HA CYS 49 HA CYS 49 19.213 -13.449 -6.347 307 HB2 CYS 49 HB2 CYS 49 17.243 -13.719 -4.888 308 HB3 CYS 49 HB3 CYS 49 17.470 -12.053 -5.409 309 H GLU 50 H GLU 50 19.274 -15.595 -5.801 310 HA GLU 50 HA GLU 50 17.423 -17.568 -6.418 311 HB2 GLU 50 HB2 GLU 50 18.435 -16.837 -8.767 312 HB3 GLU 50 HB3 GLU 50 19.734 -17.917 -8.271 313 HG2 GLU 50 HG2 GLU 50 17.737 -19.563 -7.805 314 HG3 GLU 50 HG3 GLU 50 16.911 -18.510 -8.960 315 H ARG 51 H ARG 51 18.448 -19.805 -6.148 316 HA ARG 51 HA ARG 51 20.502 -19.624 -4.115 317 HB2 ARG 51 HB2 ARG 51 18.646 -21.841 -4.973 318 HB3 ARG 51 HB3 ARG 51 19.944 -22.081 -3.810 319 HG2 ARG 51 HG2 ARG 51 17.749 -20.056 -3.476 320 HG3 ARG 51 HG3 ARG 51 17.702 -21.690 -2.806 321 HD2 ARG 51 HD2 ARG 51 19.543 -21.271 -1.396 322 HD3 ARG 51 HD3 ARG 51 19.974 -19.798 -2.258 323 HE ARG 51 HE ARG 51 17.818 -18.883 -1.376 324 HH11 ARG 51 HH11 ARG 51 19.477 -21.458 0.337 325 HH12 ARG 51 HH12 ARG 51 18.891 -20.976 1.887 326 HH21 ARG 51 HH21 ARG 51 17.041 -18.241 0.651 327 HH22 ARG 51 HH22 ARG 51 17.475 -19.126 2.072 328 H SER 52 H SER 52 22.469 -20.514 -4.292 329 HA SER 52 HA SER 52 24.378 -21.138 -5.297 330 HB2 SER 52 HB2 SER 52 24.302 -23.312 -6.514 331 HB3 SER 52 HB3 SER 52 23.443 -23.334 -4.976 332 HG SER 52 HG SER 52 21.759 -22.626 -6.938 Start of MODEL 15 1 HA ASN 1 HA ASN 1 7.619 -0.201 3.277 2 HB2 ASN 1 HB2 ASN 1 6.706 1.843 2.291 3 HB3 ASN 1 HB3 ASN 1 5.120 1.093 2.151 4 HD21 ASN 1 HD21 ASN 1 7.441 2.508 4.299 5 HD22 ASN 1 HD22 ASN 1 6.390 2.659 5.662 6 H GLU 2 H GLU 2 4.534 -1.289 1.895 7 HA GLU 2 HA GLU 2 3.623 -2.297 4.426 8 HB2 GLU 2 HB2 GLU 2 2.496 -2.645 1.656 9 HB3 GLU 2 HB3 GLU 2 1.710 -3.171 3.138 10 HG2 GLU 2 HG2 GLU 2 1.591 -0.892 3.907 11 HG3 GLU 2 HG3 GLU 2 2.421 -0.338 2.452 12 H LEU 3 H LEU 3 3.679 -4.104 1.397 13 HA LEU 3 HA LEU 3 4.483 -6.424 2.961 14 HB2 LEU 3 HB2 LEU 3 3.435 -6.335 0.141 15 HB3 LEU 3 HB3 LEU 3 3.718 -7.773 1.097 16 HG LEU 3 HG LEU 3 1.574 -5.698 1.470 17 HD11 LEU 3 HD11 LEU 3 0.107 -7.663 1.269 18 HD12 LEU 3 HD12 LEU 3 1.525 -8.659 0.945 19 HD13 LEU 3 HD13 LEU 3 1.077 -7.370 -0.174 20 HD21 LEU 3 HD21 LEU 3 0.859 -6.984 3.447 21 HD22 LEU 3 HD22 LEU 3 2.422 -6.202 3.673 22 HD23 LEU 3 HD23 LEU 3 2.344 -7.936 3.345 23 H ARG 4 H ARG 4 6.424 -7.175 2.882 24 HA ARG 4 HA ARG 4 8.139 -6.447 0.616 25 HB2 ARG 4 HB2 ARG 4 8.785 -5.516 2.858 26 HB3 ARG 4 HB3 ARG 4 8.966 -7.164 3.437 27 HG2 ARG 4 HG2 ARG 4 10.504 -6.457 1.024 28 HG3 ARG 4 HG3 ARG 4 10.995 -5.680 2.528 29 HD2 ARG 4 HD2 ARG 4 10.657 -8.645 2.127 30 HD3 ARG 4 HD3 ARG 4 12.196 -7.785 2.103 31 HE ARG 4 HE ARG 4 11.226 -7.091 4.496 32 HH11 ARG 4 HH11 ARG 4 11.451 -10.245 2.957 33 HH12 ARG 4 HH12 ARG 4 11.685 -11.099 4.443 34 HH21 ARG 4 HH21 ARG 4 11.518 -8.235 6.477 35 HH22 ARG 4 HH22 ARG 4 11.716 -9.950 6.449 36 H CYS 5 H CYS 5 9.264 -8.091 -0.391 37 HA CYS 5 HA CYS 5 8.035 -10.574 -0.515 38 HB2 CYS 5 HB2 CYS 5 9.520 -9.497 -2.242 39 HB3 CYS 5 HB3 CYS 5 10.891 -10.076 -1.299 40 H GLY 6 H GLY 6 8.361 -12.533 0.345 41 HA2 GLY 6 HA2 GLY 6 9.660 -12.715 2.872 42 HA3 GLY 6 HA3 GLY 6 8.916 -14.041 1.994 43 H CYS 7 H CYS 7 10.829 -13.131 -0.313 44 HA CYS 7 HA CYS 7 12.866 -15.038 0.271 45 HB2 CYS 7 HB2 CYS 7 11.955 -14.674 -2.004 46 HB3 CYS 7 HB3 CYS 7 12.613 -13.054 -2.019 47 HA PRO 8 HA PRO 8 15.106 -12.070 2.744 48 HB2 PRO 8 HB2 PRO 8 17.284 -13.623 3.262 49 HB3 PRO 8 HB3 PRO 8 15.734 -13.801 4.091 50 HG2 PRO 8 HG2 PRO 8 16.849 -15.363 1.797 51 HG3 PRO 8 HG3 PRO 8 15.986 -15.945 3.233 52 HD2 PRO 8 HD2 PRO 8 14.771 -15.679 0.846 53 HD3 PRO 8 HD3 PRO 8 13.918 -15.380 2.374 54 H ASP 9 H ASP 9 16.347 -13.458 -0.167 55 HA ASP 9 HA ASP 9 18.509 -11.466 -0.170 56 HB2 ASP 9 HB2 ASP 9 18.348 -14.210 -1.106 57 HB3 ASP 9 HB3 ASP 9 18.933 -13.118 -2.359 58 H CYS 10 H CYS 10 15.566 -11.284 -0.880 59 HA CYS 10 HA CYS 10 15.945 -10.015 -3.497 60 HB2 CYS 10 HB2 CYS 10 14.752 -12.058 -3.878 61 HB3 CYS 10 HB3 CYS 10 13.688 -11.731 -2.519 62 H HIS 11 H HIS 11 15.350 -7.931 -3.511 63 HA HIS 11 HA HIS 11 13.609 -6.999 -1.339 64 HB2 HIS 11 HB2 HIS 11 15.880 -5.625 -2.746 65 HB3 HIS 11 HB3 HIS 11 14.640 -4.707 -1.902 66 HD2 HIS 11 HD2 HIS 11 16.996 -7.714 -0.818 67 HE1 HIS 11 HE1 HIS 11 16.701 -4.896 2.333 68 HE2 HIS 11 HE2 HIS 11 17.455 -7.196 1.666 69 H CYS 12 H CYS 12 11.642 -7.051 -2.185 70 HA CYS 12 HA CYS 12 11.070 -5.225 -4.376 71 HB2 CYS 12 HB2 CYS 12 10.170 -8.126 -4.336 72 HB3 CYS 12 HB3 CYS 12 9.542 -6.907 -5.435 73 H LYS 13 H LYS 13 9.192 -4.111 -4.043 74 HA LYS 13 HA LYS 13 7.742 -4.589 -1.570 75 HB2 LYS 13 HB2 LYS 13 8.423 -2.287 -2.737 76 HB3 LYS 13 HB3 LYS 13 6.906 -2.527 -3.581 77 HG2 LYS 13 HG2 LYS 13 7.198 -2.398 -0.576 78 HG3 LYS 13 HG3 LYS 13 6.730 -1.046 -1.597 79 HD2 LYS 13 HD2 LYS 13 5.199 -3.629 -1.216 80 HD3 LYS 13 HD3 LYS 13 4.773 -2.054 -0.550 81 HE2 LYS 13 HE2 LYS 13 4.525 -1.193 -2.863 82 HE3 LYS 13 HE3 LYS 13 4.868 -2.813 -3.468 83 HZ1 LYS 13 HZ1 LYS 13 2.909 -3.557 -2.153 84 HZ2 LYS 13 HZ2 LYS 13 2.575 -2.568 -3.480 85 HZ3 LYS 13 HZ3 LYS 13 2.521 -1.921 -1.916 86 H VAL 14 H VAL 14 5.967 -5.803 -1.491 87 HA VAL 14 HA VAL 14 4.792 -6.655 -4.036 88 HB VAL 14 HB VAL 14 4.230 -7.911 -1.363 89 HG11 VAL 14 HG11 VAL 14 4.015 -8.796 -4.220 90 HG12 VAL 14 HG12 VAL 14 2.734 -8.661 -3.010 91 HG13 VAL 14 HG13 VAL 14 3.961 -9.920 -2.869 92 HG21 VAL 14 HG21 VAL 14 6.028 -9.523 -1.810 93 HG22 VAL 14 HG22 VAL 14 6.655 -7.887 -1.607 94 HG23 VAL 14 HG23 VAL 14 6.512 -8.583 -3.222 95 H ASP 15 H ASP 15 2.648 -6.530 -4.457 96 HA ASP 15 HA ASP 15 1.144 -4.666 -2.797 97 HB2 ASP 15 HB2 ASP 15 0.974 -5.518 -5.666 98 HB3 ASP 15 HB3 ASP 15 -0.399 -4.755 -4.878 99 HA PRO 16 HA PRO 16 -1.182 -8.054 -1.206 100 HB2 PRO 16 HB2 PRO 16 -3.205 -6.619 -0.062 101 HB3 PRO 16 HB3 PRO 16 -1.604 -6.795 0.655 102 HG2 PRO 16 HG2 PRO 16 -2.775 -4.504 -0.830 103 HG3 PRO 16 HG3 PRO 16 -1.627 -4.503 0.519 104 HD2 PRO 16 HD2 PRO 16 -0.962 -4.101 -2.123 105 HD3 PRO 16 HD3 PRO 16 0.190 -4.651 -0.897 106 H GLU 17 H GLU 17 -2.349 -5.881 -3.569 107 HA GLU 17 HA GLU 17 -4.978 -6.908 -3.832 108 HB2 GLU 17 HB2 GLU 17 -3.232 -5.375 -5.767 109 HB3 GLU 17 HB3 GLU 17 -4.925 -5.750 -6.045 110 HG2 GLU 17 HG2 GLU 17 -5.564 -4.424 -4.115 111 HG3 GLU 17 HG3 GLU 17 -3.871 -4.098 -3.758 112 H ARG 18 H ARG 18 -1.838 -7.822 -5.062 113 HA ARG 18 HA ARG 18 -3.021 -10.183 -6.303 114 HB2 ARG 18 HB2 ARG 18 -1.160 -8.295 -7.767 115 HB3 ARG 18 HB3 ARG 18 -1.713 -9.851 -8.371 116 HG2 ARG 18 HG2 ARG 18 -3.999 -9.056 -8.439 117 HG3 ARG 18 HG3 ARG 18 -3.507 -7.528 -7.704 118 HD2 ARG 18 HD2 ARG 18 -2.575 -8.560 -10.381 119 HD3 ARG 18 HD3 ARG 18 -3.841 -7.358 -10.147 120 HE ARG 18 HE ARG 18 -0.969 -6.996 -9.684 121 HH11 ARG 18 HH11 ARG 18 -4.206 -5.607 -9.777 122 HH12 ARG 18 HH12 ARG 18 -3.634 -3.974 -9.767 123 HH21 ARG 18 HH21 ARG 18 -0.230 -4.817 -9.676 124 HH22 ARG 18 HH22 ARG 18 -1.384 -3.527 -9.707 125 H VAL 19 H VAL 19 -1.529 -9.878 -3.908 126 HA VAL 19 HA VAL 19 1.213 -10.607 -4.401 127 HB VAL 19 HB VAL 19 0.800 -9.341 -2.388 128 HG11 VAL 19 HG11 VAL 19 -0.509 -10.218 -0.531 129 HG12 VAL 19 HG12 VAL 19 -0.992 -11.598 -1.517 130 HG13 VAL 19 HG13 VAL 19 -1.513 -9.969 -1.964 131 HG21 VAL 19 HG21 VAL 19 2.581 -11.026 -2.282 132 HG22 VAL 19 HG22 VAL 19 1.426 -12.187 -1.634 133 HG23 VAL 19 HG23 VAL 19 1.836 -10.745 -0.710 134 H PHE 20 H PHE 20 2.118 -12.566 -4.471 135 HA PHE 20 HA PHE 20 0.417 -14.887 -4.382 136 HB2 PHE 20 HB2 PHE 20 2.502 -14.396 -5.932 137 HB3 PHE 20 HB3 PHE 20 3.406 -15.017 -4.559 138 HD1 PHE 20 HD1 PHE 20 1.066 -15.802 -7.210 139 HD2 PHE 20 HD2 PHE 20 3.256 -17.347 -3.919 140 HE1 PHE 20 HE1 PHE 20 0.612 -18.097 -7.993 141 HE2 PHE 20 HE2 PHE 20 2.815 -19.642 -4.685 142 HZ PHE 20 HZ PHE 20 1.489 -20.020 -6.727 143 H ASN 21 H ASN 21 -0.125 -15.604 -2.428 144 HA ASN 21 HA ASN 21 1.731 -15.269 -0.201 145 HB2 ASN 21 HB2 ASN 21 -0.636 -14.509 0.033 146 HB3 ASN 21 HB3 ASN 21 -1.157 -16.175 -0.173 147 HD21 ASN 21 HD21 ASN 21 -1.444 -14.262 2.036 148 HD22 ASN 21 HD22 ASN 21 -0.821 -15.058 3.438 149 H HIS 22 H HIS 22 2.999 -16.868 0.310 150 HA HIS 22 HA HIS 22 2.032 -19.611 -0.066 151 HB2 HIS 22 HB2 HIS 22 3.639 -18.760 -1.874 152 HB3 HIS 22 HB3 HIS 22 4.881 -18.845 -0.629 153 HD2 HIS 22 HD2 HIS 22 5.234 -21.581 0.390 154 HE1 HIS 22 HE1 HIS 22 3.724 -23.279 -3.192 155 HE2 HIS 22 HE2 HIS 22 5.096 -23.680 -1.123 156 H ASP 23 H ASP 23 2.023 -20.587 1.783 157 HA ASP 23 HA ASP 23 2.463 -21.266 3.882 158 HB2 ASP 23 HB2 ASP 23 4.692 -21.806 2.759 159 HB3 ASP 23 HB3 ASP 23 5.309 -20.338 3.511 160 H GLY 24 H GLY 24 1.835 -18.383 3.276 161 HA2 GLY 24 HA2 GLY 24 1.068 -16.867 4.917 162 HA3 GLY 24 HA3 GLY 24 2.299 -17.466 6.012 163 H GLU 25 H GLU 25 3.885 -17.047 3.144 164 HA GLU 25 HA GLU 25 4.724 -14.367 3.981 165 HB2 GLU 25 HB2 GLU 25 6.088 -16.498 2.381 166 HB3 GLU 25 HB3 GLU 25 6.610 -14.826 2.275 167 HG2 GLU 25 HG2 GLU 25 8.020 -15.685 3.847 168 HG3 GLU 25 HG3 GLU 25 6.748 -14.968 4.834 169 H ALA 26 H ALA 26 5.090 -12.762 2.463 170 HA ALA 26 HA ALA 26 3.293 -12.927 0.152 171 HB1 ALA 26 HB1 ALA 26 3.487 -10.411 0.250 172 HB2 ALA 26 HB2 ALA 26 4.364 -10.623 1.771 173 HB3 ALA 26 HB3 ALA 26 2.691 -11.164 1.630 174 H TYR 27 H TYR 27 4.387 -13.452 -1.664 175 HA TYR 27 HA TYR 27 7.074 -12.324 -1.993 176 HB2 TYR 27 HB2 TYR 27 5.810 -14.731 -3.298 177 HB3 TYR 27 HB3 TYR 27 7.426 -14.128 -3.639 178 HD1 TYR 27 HD1 TYR 27 5.325 -15.934 -1.257 179 HD2 TYR 27 HD2 TYR 27 9.224 -14.423 -2.017 180 HE1 TYR 27 HE1 TYR 27 6.222 -17.368 0.523 181 HE2 TYR 27 HE2 TYR 27 10.132 -15.850 -0.235 182 HH TYR 27 HH TYR 27 9.256 -16.964 1.863 183 H CYS 28 H CYS 28 7.628 -11.366 -3.955 184 HA CYS 28 HA CYS 28 5.562 -9.877 -5.204 185 HB2 CYS 28 HB2 CYS 28 7.379 -9.101 -6.698 186 HB3 CYS 28 HB3 CYS 28 7.817 -8.992 -4.995 187 H SER 29 H SER 29 7.381 -12.737 -6.032 188 HA SER 29 HA SER 29 5.555 -13.230 -8.263 189 HB2 SER 29 HB2 SER 29 8.530 -13.765 -8.369 190 HB3 SER 29 HB3 SER 29 7.368 -13.899 -9.689 191 HG SER 29 HG SER 29 8.304 -11.551 -8.398 192 H GLN 30 H GLN 30 5.314 -15.493 -8.774 193 HA GLN 30 HA GLN 30 5.187 -17.130 -6.496 194 HB2 GLN 30 HB2 GLN 30 4.426 -18.895 -7.942 195 HB3 GLN 30 HB3 GLN 30 3.716 -17.387 -8.490 196 HG2 GLN 30 HG2 GLN 30 6.133 -18.672 -9.734 197 HG3 GLN 30 HG3 GLN 30 4.485 -18.903 -10.304 198 HE21 GLN 30 HE21 GLN 30 6.853 -17.729 -11.591 199 HE22 GLN 30 HE22 GLN 30 6.367 -16.151 -12.109 200 H ALA 31 H ALA 31 7.699 -16.670 -8.847 201 HA ALA 31 HA ALA 31 9.173 -19.007 -8.577 202 HB1 ALA 31 HB1 ALA 31 9.640 -17.263 -10.240 203 HB2 ALA 31 HB2 ALA 31 11.083 -17.727 -9.339 204 HB3 ALA 31 HB3 ALA 31 10.252 -16.218 -8.958 205 H CYS 32 H CYS 32 9.288 -16.056 -6.608 206 HA CYS 32 HA CYS 32 11.329 -17.022 -4.887 207 HB2 CYS 32 HB2 CYS 32 9.320 -14.791 -4.520 208 HB3 CYS 32 HB3 CYS 32 10.659 -15.111 -3.426 209 H ALA 33 H ALA 33 7.779 -16.923 -4.700 210 HA ALA 33 HA ALA 33 7.456 -17.979 -2.137 211 HB1 ALA 33 HB1 ALA 33 5.222 -18.608 -2.859 212 HB2 ALA 33 HB2 ALA 33 5.678 -18.361 -4.546 213 HB3 ALA 33 HB3 ALA 33 5.634 -16.994 -3.430 214 H GLU 34 H GLU 34 7.993 -19.575 -5.208 215 HA GLU 34 HA GLU 34 7.646 -22.232 -4.193 216 HB2 GLU 34 HB2 GLU 34 8.705 -21.089 -6.770 217 HB3 GLU 34 HB3 GLU 34 8.708 -22.813 -6.456 218 HG2 GLU 34 HG2 GLU 34 6.169 -21.275 -6.180 219 HG3 GLU 34 HG3 GLU 34 6.760 -21.710 -7.784 220 H GLN 35 H GLN 35 10.019 -20.010 -3.700 221 HA GLN 35 HA GLN 35 12.107 -20.043 -2.847 222 HB2 GLN 35 HB2 GLN 35 11.651 -23.006 -2.420 223 HB3 GLN 35 HB3 GLN 35 12.880 -22.022 -1.637 224 HG2 GLN 35 HG2 GLN 35 11.002 -20.649 -0.665 225 HG3 GLN 35 HG3 GLN 35 9.901 -21.867 -1.285 226 HE21 GLN 35 HE21 GLN 35 12.338 -21.162 1.071 227 HE22 GLN 35 HE22 GLN 35 12.083 -22.559 2.052 228 H HIS 36 H HIS 36 11.531 -20.658 -5.662 229 HA HIS 36 HA HIS 36 12.584 -21.044 -7.617 230 HB2 HIS 36 HB2 HIS 36 15.203 -20.913 -6.122 231 HB3 HIS 36 HB3 HIS 36 14.897 -20.549 -7.820 232 HD1 HIS 36 HD1 HIS 36 14.150 -18.193 -8.397 233 HD2 HIS 36 HD2 HIS 36 14.248 -18.937 -4.309 234 HE1 HIS 36 HE1 HIS 36 13.891 -15.963 -7.294 235 HA PRO 37 HA PRO 37 13.164 -25.567 -6.682 236 HB2 PRO 37 HB2 PRO 37 11.275 -26.305 -8.548 237 HB3 PRO 37 HB3 PRO 37 10.922 -26.042 -6.837 238 HG2 PRO 37 HG2 PRO 37 10.527 -24.207 -9.162 239 HG3 PRO 37 HG3 PRO 37 9.469 -24.499 -7.770 240 HD2 PRO 37 HD2 PRO 37 11.029 -22.321 -7.936 241 HD3 PRO 37 HD3 PRO 37 10.699 -23.120 -6.386 242 H ASN 38 H ASN 38 12.291 -24.263 -9.917 243 HA ASN 38 HA ASN 38 14.302 -25.926 -11.182 244 HB2 ASN 38 HB2 ASN 38 12.246 -23.982 -12.212 245 HB3 ASN 38 HB3 ASN 38 13.520 -24.581 -13.261 246 HD21 ASN 38 HD21 ASN 38 12.112 -26.572 -10.761 247 HD22 ASN 38 HD22 ASN 38 11.253 -27.622 -11.827 248 H GLY 39 H GLY 39 14.246 -22.985 -9.663 249 HA2 GLY 39 HA2 GLY 39 16.026 -21.495 -9.357 250 HA3 GLY 39 HA3 GLY 39 16.879 -22.309 -10.663 251 H GLU 40 H GLU 40 13.681 -20.800 -10.578 252 HA GLU 40 HA GLU 40 14.622 -19.068 -12.717 253 HB2 GLU 40 HB2 GLU 40 12.221 -18.644 -13.194 254 HB3 GLU 40 HB3 GLU 40 12.685 -20.323 -13.379 255 HG2 GLU 40 HG2 GLU 40 11.586 -19.622 -10.739 256 HG3 GLU 40 HG3 GLU 40 10.468 -19.459 -12.088 257 HA PRO 41 HA PRO 41 14.631 -15.794 -9.620 258 HB2 PRO 41 HB2 PRO 41 15.470 -13.824 -11.304 259 HB3 PRO 41 HB3 PRO 41 16.573 -15.013 -10.601 260 HG2 PRO 41 HG2 PRO 41 15.318 -14.970 -13.322 261 HG3 PRO 41 HG3 PRO 41 16.990 -15.345 -12.868 262 HD2 PRO 41 HD2 PRO 41 15.182 -17.270 -13.419 263 HD3 PRO 41 HD3 PRO 41 16.460 -17.495 -12.202 264 H CYS 42 H CYS 42 13.535 -13.647 -9.436 265 HA CYS 42 HA CYS 42 10.961 -13.778 -10.722 266 HB2 CYS 42 HB2 CYS 42 10.299 -12.000 -9.188 267 HB3 CYS 42 HB3 CYS 42 11.150 -13.249 -8.295 268 HA PRO 43 HA PRO 43 11.783 -10.865 -13.909 269 HB2 PRO 43 HB2 PRO 43 9.408 -9.592 -14.173 270 HB3 PRO 43 HB3 PRO 43 9.640 -11.281 -14.641 271 HG2 PRO 43 HG2 PRO 43 8.458 -10.162 -12.126 272 HG3 PRO 43 HG3 PRO 43 7.874 -11.498 -13.136 273 HD2 PRO 43 HD2 PRO 43 9.258 -11.903 -10.850 274 HD3 PRO 43 HD3 PRO 43 9.377 -12.997 -12.240 275 H HIS 44 H HIS 44 12.672 -9.893 -11.351 276 HA HIS 44 HA HIS 44 12.299 -7.009 -11.766 277 HB2 HIS 44 HB2 HIS 44 12.370 -8.547 -9.177 278 HB3 HIS 44 HB3 HIS 44 12.682 -6.818 -9.239 279 HD2 HIS 44 HD2 HIS 44 10.341 -5.324 -10.271 280 HE1 HIS 44 HE1 HIS 44 7.667 -8.321 -8.927 281 HE2 HIS 44 HE2 HIS 44 7.878 -6.012 -9.881 282 HA PRO 45 HA PRO 45 16.753 -7.687 -12.114 283 HB2 PRO 45 HB2 PRO 45 17.313 -5.515 -13.582 284 HB3 PRO 45 HB3 PRO 45 16.523 -6.931 -14.285 285 HG2 PRO 45 HG2 PRO 45 15.328 -4.331 -13.419 286 HG3 PRO 45 HG3 PRO 45 14.956 -5.318 -14.841 287 HD2 PRO 45 HD2 PRO 45 13.467 -5.301 -12.515 288 HD3 PRO 45 HD3 PRO 45 13.490 -6.628 -13.688 289 H ASP 46 H ASP 46 15.037 -5.408 -10.367 290 HA ASP 46 HA ASP 46 17.137 -3.606 -9.667 291 HB2 ASP 46 HB2 ASP 46 14.688 -3.105 -9.429 292 HB3 ASP 46 HB3 ASP 46 14.640 -4.226 -8.073 293 H CYS 47 H CYS 47 15.970 -6.643 -8.398 294 HA CYS 47 HA CYS 47 17.852 -6.531 -6.153 295 HB2 CYS 47 HB2 CYS 47 16.640 -8.362 -5.243 296 HB3 CYS 47 HB3 CYS 47 15.423 -7.261 -5.884 297 H HIS 48 H HIS 48 18.516 -9.100 -5.789 298 HA HIS 48 HA HIS 48 19.199 -10.409 -8.243 299 HB2 HIS 48 HB2 HIS 48 21.050 -8.722 -7.928 300 HB3 HIS 48 HB3 HIS 48 21.472 -9.556 -6.436 301 HD1 HIS 48 HD1 HIS 48 21.691 -9.848 -10.144 302 HD2 HIS 48 HD2 HIS 48 22.714 -12.069 -6.788 303 HE1 HIS 48 HE1 HIS 48 23.188 -11.680 -10.980 304 HE2 HIS 48 HE2 HIS 48 23.509 -13.168 -8.977 305 H CYS 49 H CYS 49 17.708 -11.848 -7.116 306 HA CYS 49 HA CYS 49 18.962 -13.363 -4.938 307 HB2 CYS 49 HB2 CYS 49 16.716 -14.357 -4.613 308 HB3 CYS 49 HB3 CYS 49 16.690 -12.604 -4.485 309 H GLU 50 H GLU 50 17.502 -15.800 -5.432 310 HA GLU 50 HA GLU 50 17.550 -17.733 -6.611 311 HB2 GLU 50 HB2 GLU 50 16.888 -15.923 -8.465 312 HB3 GLU 50 HB3 GLU 50 18.455 -16.365 -9.116 313 HG2 GLU 50 HG2 GLU 50 16.654 -18.584 -8.457 314 HG3 GLU 50 HG3 GLU 50 16.158 -17.537 -9.787 315 H ARG 51 H ARG 51 19.336 -18.841 -8.441 316 HA ARG 51 HA ARG 51 21.740 -19.029 -6.908 317 HB2 ARG 51 HB2 ARG 51 20.589 -20.362 -9.257 318 HB3 ARG 51 HB3 ARG 51 22.339 -20.231 -9.283 319 HG2 ARG 51 HG2 ARG 51 20.998 -21.293 -6.837 320 HG3 ARG 51 HG3 ARG 51 21.164 -22.330 -8.253 321 HD2 ARG 51 HD2 ARG 51 23.063 -22.777 -6.915 322 HD3 ARG 51 HD3 ARG 51 23.640 -21.749 -8.218 323 HE ARG 51 HE ARG 51 22.912 -20.247 -5.899 324 HH11 ARG 51 HH11 ARG 51 25.476 -22.203 -7.309 325 HH12 ARG 51 HH12 ARG 51 26.718 -21.513 -6.322 326 HH21 ARG 51 HH21 ARG 51 24.580 -19.343 -4.595 327 HH22 ARG 51 HH22 ARG 51 26.211 -19.897 -4.784 328 H SER 52 H SER 52 23.762 -18.346 -7.391 329 HA SER 52 HA SER 52 24.370 -16.976 -9.839 330 HB2 SER 52 HB2 SER 52 24.165 -15.512 -7.224 331 HB3 SER 52 HB3 SER 52 25.120 -14.897 -8.578 332 HG SER 52 HG SER 52 22.455 -15.659 -9.013 Start of MODEL 16 1 HA ASN 1 HA ASN 1 5.605 -0.479 1.526 2 HB2 ASN 1 HB2 ASN 1 7.702 -2.117 2.971 3 HB3 ASN 1 HB3 ASN 1 7.258 -2.375 1.288 4 HD21 ASN 1 HD21 ASN 1 9.363 -1.903 0.624 5 HD22 ASN 1 HD22 ASN 1 9.957 -0.283 0.590 6 H GLU 2 H GLU 2 4.817 -1.854 4.485 7 HA GLU 2 HA GLU 2 3.475 -3.522 5.204 8 HB2 GLU 2 HB2 GLU 2 2.367 -2.954 2.516 9 HB3 GLU 2 HB3 GLU 2 1.811 -4.390 3.358 10 HG2 GLU 2 HG2 GLU 2 1.369 -2.808 5.313 11 HG3 GLU 2 HG3 GLU 2 1.495 -1.527 4.100 12 H LEU 3 H LEU 3 3.304 -4.816 1.984 13 HA LEU 3 HA LEU 3 4.320 -7.305 2.995 14 HB2 LEU 3 HB2 LEU 3 3.399 -6.584 0.217 15 HB3 LEU 3 HB3 LEU 3 3.742 -8.198 0.803 16 HG LEU 3 HG LEU 3 1.466 -6.408 1.641 17 HD11 LEU 3 HD11 LEU 3 1.539 -9.061 0.226 18 HD12 LEU 3 HD12 LEU 3 1.152 -7.499 -0.496 19 HD13 LEU 3 HD13 LEU 3 0.085 -8.197 0.723 20 HD21 LEU 3 HD21 LEU 3 2.263 -7.584 3.601 21 HD22 LEU 3 HD22 LEU 3 2.268 -9.110 2.717 22 HD23 LEU 3 HD23 LEU 3 0.743 -8.293 3.058 23 H ARG 4 H ARG 4 6.353 -7.522 3.151 24 HA ARG 4 HA ARG 4 8.110 -6.394 1.104 25 HB2 ARG 4 HB2 ARG 4 8.275 -5.767 3.622 26 HB3 ARG 4 HB3 ARG 4 8.961 -7.374 3.807 27 HG2 ARG 4 HG2 ARG 4 10.813 -6.836 2.438 28 HG3 ARG 4 HG3 ARG 4 10.072 -5.316 1.927 29 HD2 ARG 4 HD2 ARG 4 11.818 -4.970 3.634 30 HD3 ARG 4 HD3 ARG 4 10.226 -4.441 4.178 31 HE ARG 4 HE ARG 4 10.308 -6.000 5.832 32 HH11 ARG 4 HH11 ARG 4 12.688 -6.918 3.403 33 HH12 ARG 4 HH12 ARG 4 13.374 -8.165 4.381 34 HH21 ARG 4 HH21 ARG 4 11.226 -7.640 7.105 35 HH22 ARG 4 HH22 ARG 4 12.553 -8.570 6.504 36 H CYS 5 H CYS 5 9.104 -7.809 -0.164 37 HA CYS 5 HA CYS 5 8.325 -10.378 -0.480 38 HB2 CYS 5 HB2 CYS 5 9.767 -8.968 -2.005 39 HB3 CYS 5 HB3 CYS 5 11.144 -9.537 -1.069 40 H GLY 6 H GLY 6 8.585 -12.249 0.456 41 HA2 GLY 6 HA2 GLY 6 9.911 -12.536 2.923 42 HA3 GLY 6 HA3 GLY 6 9.243 -13.845 1.961 43 H CYS 7 H CYS 7 11.157 -12.644 -0.242 44 HA CYS 7 HA CYS 7 13.212 -14.532 0.150 45 HB2 CYS 7 HB2 CYS 7 12.307 -13.631 -2.068 46 HB3 CYS 7 HB3 CYS 7 13.250 -12.183 -1.751 47 HA PRO 8 HA PRO 8 15.522 -12.089 3.031 48 HB2 PRO 8 HB2 PRO 8 17.866 -13.507 2.870 49 HB3 PRO 8 HB3 PRO 8 16.463 -14.018 3.816 50 HG2 PRO 8 HG2 PRO 8 17.332 -14.891 1.089 51 HG3 PRO 8 HG3 PRO 8 16.685 -15.863 2.425 52 HD2 PRO 8 HD2 PRO 8 15.167 -15.131 0.330 53 HD3 PRO 8 HD3 PRO 8 14.499 -15.262 1.970 54 H ASP 9 H ASP 9 16.821 -12.833 -0.143 55 HA ASP 9 HA ASP 9 18.765 -10.668 0.124 56 HB2 ASP 9 HB2 ASP 9 18.407 -12.824 -1.944 57 HB3 ASP 9 HB3 ASP 9 19.504 -11.468 -2.184 58 H CYS 10 H CYS 10 15.943 -11.547 -1.696 59 HA CYS 10 HA CYS 10 16.129 -9.182 -3.333 60 HB2 CYS 10 HB2 CYS 10 15.403 -11.088 -4.481 61 HB3 CYS 10 HB3 CYS 10 14.245 -11.508 -3.226 62 H HIS 11 H HIS 11 15.265 -7.308 -2.806 63 HA HIS 11 HA HIS 11 13.057 -7.296 -0.867 64 HB2 HIS 11 HB2 HIS 11 15.179 -5.199 -1.366 65 HB3 HIS 11 HB3 HIS 11 13.757 -4.927 -0.366 66 HD2 HIS 11 HD2 HIS 11 16.871 -7.378 -0.304 67 HE1 HIS 11 HE1 HIS 11 15.555 -6.653 3.660 68 HE2 HIS 11 HE2 HIS 11 17.372 -7.621 2.219 69 H CYS 12 H CYS 12 11.286 -7.290 -2.140 70 HA CYS 12 HA CYS 12 10.974 -4.988 -3.949 71 HB2 CYS 12 HB2 CYS 12 10.047 -7.844 -4.380 72 HB3 CYS 12 HB3 CYS 12 9.387 -6.493 -5.286 73 H LYS 13 H LYS 13 9.089 -3.812 -3.684 74 HA LYS 13 HA LYS 13 7.441 -4.409 -1.398 75 HB2 LYS 13 HB2 LYS 13 8.029 -2.062 -2.091 76 HB3 LYS 13 HB3 LYS 13 7.021 -2.269 -3.512 77 HG2 LYS 13 HG2 LYS 13 5.802 -2.714 -0.820 78 HG3 LYS 13 HG3 LYS 13 6.113 -1.063 -1.349 79 HD2 LYS 13 HD2 LYS 13 4.721 -1.361 -3.285 80 HD3 LYS 13 HD3 LYS 13 4.546 -3.082 -2.958 81 HE2 LYS 13 HE2 LYS 13 2.529 -1.978 -2.268 82 HE3 LYS 13 HE3 LYS 13 3.397 -2.499 -0.827 83 HZ1 LYS 13 HZ1 LYS 13 2.527 -0.260 -0.587 84 HZ2 LYS 13 HZ2 LYS 13 3.393 0.250 -1.944 85 HZ3 LYS 13 HZ3 LYS 13 4.217 -0.240 -0.556 86 H VAL 14 H VAL 14 5.749 -5.694 -1.391 87 HA VAL 14 HA VAL 14 4.652 -6.545 -3.977 88 HB VAL 14 HB VAL 14 4.117 -7.883 -1.340 89 HG11 VAL 14 HG11 VAL 14 2.706 -8.576 -3.138 90 HG12 VAL 14 HG12 VAL 14 3.871 -9.860 -2.804 91 HG13 VAL 14 HG13 VAL 14 4.096 -8.808 -4.198 92 HG21 VAL 14 HG21 VAL 14 6.468 -8.395 -3.162 93 HG22 VAL 14 HG22 VAL 14 6.002 -9.394 -1.785 94 HG23 VAL 14 HG23 VAL 14 6.540 -7.734 -1.529 95 H ASP 15 H ASP 15 2.431 -6.624 -4.330 96 HA ASP 15 HA ASP 15 0.886 -4.779 -2.671 97 HB2 ASP 15 HB2 ASP 15 0.502 -5.753 -5.494 98 HB3 ASP 15 HB3 ASP 15 -0.636 -4.732 -4.644 99 HA PRO 16 HA PRO 16 -1.436 -8.284 -1.184 100 HB2 PRO 16 HB2 PRO 16 -3.470 -6.874 -0.043 101 HB3 PRO 16 HB3 PRO 16 -1.877 -7.053 0.704 102 HG2 PRO 16 HG2 PRO 16 -2.976 -4.775 -0.888 103 HG3 PRO 16 HG3 PRO 16 -2.019 -4.737 0.604 104 HD2 PRO 16 HD2 PRO 16 -0.930 -4.277 -1.818 105 HD3 PRO 16 HD3 PRO 16 -0.030 -5.084 -0.517 106 H GLU 17 H GLU 17 -2.398 -6.061 -3.566 107 HA GLU 17 HA GLU 17 -5.033 -7.057 -4.045 108 HB2 GLU 17 HB2 GLU 17 -3.171 -5.142 -5.305 109 HB3 GLU 17 HB3 GLU 17 -4.238 -5.973 -6.425 110 HG2 GLU 17 HG2 GLU 17 -5.211 -4.497 -3.996 111 HG3 GLU 17 HG3 GLU 17 -5.054 -3.764 -5.592 112 H ARG 18 H ARG 18 -1.787 -7.757 -5.113 113 HA ARG 18 HA ARG 18 -2.661 -10.230 -6.348 114 HB2 ARG 18 HB2 ARG 18 -1.025 -8.175 -7.860 115 HB3 ARG 18 HB3 ARG 18 -1.450 -9.782 -8.439 116 HG2 ARG 18 HG2 ARG 18 -3.782 -9.187 -8.507 117 HG3 ARG 18 HG3 ARG 18 -3.433 -7.619 -7.775 118 HD2 ARG 18 HD2 ARG 18 -2.084 -7.037 -9.743 119 HD3 ARG 18 HD3 ARG 18 -2.491 -8.592 -10.469 120 HE ARG 18 HE ARG 18 -4.909 -7.663 -10.108 121 HH11 ARG 18 HH11 ARG 18 -2.080 -5.874 -11.181 122 HH12 ARG 18 HH12 ARG 18 -2.984 -4.772 -12.157 123 HH21 ARG 18 HH21 ARG 18 -6.118 -6.184 -11.389 124 HH22 ARG 18 HH22 ARG 18 -5.297 -4.932 -12.255 125 H VAL 19 H VAL 19 -1.567 -11.010 -4.471 126 HA VAL 19 HA VAL 19 1.362 -10.932 -4.726 127 HB VAL 19 HB VAL 19 0.888 -9.647 -2.763 128 HG11 VAL 19 HG11 VAL 19 -0.917 -11.897 -1.913 129 HG12 VAL 19 HG12 VAL 19 -1.402 -10.255 -2.354 130 HG13 VAL 19 HG13 VAL 19 -0.444 -10.538 -0.895 131 HG21 VAL 19 HG21 VAL 19 1.934 -10.931 -1.008 132 HG22 VAL 19 HG22 VAL 19 2.701 -11.317 -2.551 133 HG23 VAL 19 HG23 VAL 19 1.546 -12.436 -1.836 134 H PHE 20 H PHE 20 2.450 -12.833 -4.483 135 HA PHE 20 HA PHE 20 0.823 -15.236 -4.444 136 HB2 PHE 20 HB2 PHE 20 3.803 -14.874 -4.842 137 HB3 PHE 20 HB3 PHE 20 2.947 -16.408 -4.947 138 HD1 PHE 20 HD1 PHE 20 3.328 -13.111 -6.467 139 HD2 PHE 20 HD2 PHE 20 1.816 -17.040 -6.917 140 HE1 PHE 20 HE1 PHE 20 2.915 -12.663 -8.863 141 HE2 PHE 20 HE2 PHE 20 1.394 -16.622 -9.302 142 HZ PHE 20 HZ PHE 20 1.943 -14.427 -10.279 143 H ASN 21 H ASN 21 0.263 -15.850 -2.526 144 HA ASN 21 HA ASN 21 2.082 -15.515 -0.275 145 HB2 ASN 21 HB2 ASN 21 -0.827 -16.348 -0.373 146 HB3 ASN 21 HB3 ASN 21 0.131 -16.312 1.101 147 HD21 ASN 21 HD21 ASN 21 -1.572 -14.477 -1.237 148 HD22 ASN 21 HD22 ASN 21 -1.439 -12.942 -0.454 149 H HIS 22 H HIS 22 3.385 -17.063 0.203 150 HA HIS 22 HA HIS 22 2.502 -19.829 -0.193 151 HB2 HIS 22 HB2 HIS 22 4.043 -18.972 -2.027 152 HB3 HIS 22 HB3 HIS 22 5.307 -18.921 -0.801 153 HD2 HIS 22 HD2 HIS 22 5.870 -21.569 0.308 154 HE1 HIS 22 HE1 HIS 22 4.463 -23.531 -3.180 155 HE2 HIS 22 HE2 HIS 22 5.648 -23.807 -0.977 156 H ASP 23 H ASP 23 2.550 -20.825 1.631 157 HA ASP 23 HA ASP 23 3.073 -21.521 3.707 158 HB2 ASP 23 HB2 ASP 23 5.323 -21.871 2.658 159 HB3 ASP 23 HB3 ASP 23 5.787 -20.270 3.218 160 H GLY 24 H GLY 24 2.149 -18.713 3.056 161 HA2 GLY 24 HA2 GLY 24 1.116 -17.297 4.637 162 HA3 GLY 24 HA3 GLY 24 2.339 -17.745 5.810 163 H GLU 25 H GLU 25 4.045 -17.132 3.070 164 HA GLU 25 HA GLU 25 4.528 -14.387 3.973 165 HB2 GLU 25 HB2 GLU 25 6.256 -16.396 2.607 166 HB3 GLU 25 HB3 GLU 25 6.620 -14.684 2.459 167 HG2 GLU 25 HG2 GLU 25 7.925 -15.569 4.212 168 HG3 GLU 25 HG3 GLU 25 6.676 -14.548 4.922 169 H ALA 26 H ALA 26 5.004 -12.758 2.474 170 HA ALA 26 HA ALA 26 3.441 -12.983 -0.008 171 HB1 ALA 26 HB1 ALA 26 3.413 -10.475 0.149 172 HB2 ALA 26 HB2 ALA 26 4.171 -10.638 1.737 173 HB3 ALA 26 HB3 ALA 26 2.567 -11.313 1.450 174 H TYR 27 H TYR 27 4.698 -13.278 -1.760 175 HA TYR 27 HA TYR 27 7.337 -11.966 -1.812 176 HB2 TYR 27 HB2 TYR 27 6.423 -14.408 -3.342 177 HB3 TYR 27 HB3 TYR 27 8.033 -13.702 -3.376 178 HD1 TYR 27 HD1 TYR 27 5.611 -15.540 -1.275 179 HD2 TYR 27 HD2 TYR 27 9.631 -14.219 -1.681 180 HE1 TYR 27 HE1 TYR 27 6.273 -17.030 0.553 181 HE2 TYR 27 HE2 TYR 27 10.309 -15.702 0.154 182 HH TYR 27 HH TYR 27 8.179 -18.097 1.463 183 H CYS 28 H CYS 28 8.015 -11.038 -3.851 184 HA CYS 28 HA CYS 28 6.006 -9.585 -5.176 185 HB2 CYS 28 HB2 CYS 28 7.781 -8.853 -6.697 186 HB3 CYS 28 HB3 CYS 28 8.333 -8.808 -5.029 187 H SER 29 H SER 29 7.454 -12.662 -5.792 188 HA SER 29 HA SER 29 5.539 -13.137 -7.909 189 HB2 SER 29 HB2 SER 29 7.545 -12.263 -9.040 190 HB3 SER 29 HB3 SER 29 8.507 -13.542 -8.300 191 HG SER 29 HG SER 29 6.717 -13.641 -10.414 192 H GLN 30 H GLN 30 5.722 -15.486 -8.622 193 HA GLN 30 HA GLN 30 5.503 -17.086 -6.273 194 HB2 GLN 30 HB2 GLN 30 4.701 -18.826 -7.679 195 HB3 GLN 30 HB3 GLN 30 4.079 -17.334 -8.364 196 HG2 GLN 30 HG2 GLN 30 6.490 -18.838 -9.375 197 HG3 GLN 30 HG3 GLN 30 4.874 -18.927 -10.064 198 HE21 GLN 30 HE21 GLN 30 4.304 -16.128 -9.744 199 HE22 GLN 30 HE22 GLN 30 5.263 -15.279 -10.903 200 H ALA 31 H ALA 31 7.974 -16.461 -8.617 201 HA ALA 31 HA ALA 31 9.504 -18.789 -8.343 202 HB1 ALA 31 HB1 ALA 31 10.497 -15.995 -8.900 203 HB2 ALA 31 HB2 ALA 31 9.890 -17.133 -10.107 204 HB3 ALA 31 HB3 ALA 31 11.365 -17.500 -9.213 205 H CYS 32 H CYS 32 9.572 -15.748 -6.521 206 HA CYS 32 HA CYS 32 11.650 -16.626 -4.769 207 HB2 CYS 32 HB2 CYS 32 9.632 -14.386 -4.534 208 HB3 CYS 32 HB3 CYS 32 10.852 -14.704 -3.309 209 H ALA 33 H ALA 33 8.131 -16.670 -4.674 210 HA ALA 33 HA ALA 33 7.751 -17.548 -2.053 211 HB1 ALA 33 HB1 ALA 33 5.984 -16.689 -3.557 212 HB2 ALA 33 HB2 ALA 33 5.555 -18.190 -2.747 213 HB3 ALA 33 HB3 ALA 33 6.042 -18.217 -4.442 214 H GLU 34 H GLU 34 8.321 -19.356 -5.008 215 HA GLU 34 HA GLU 34 8.128 -21.909 -3.656 216 HB2 GLU 34 HB2 GLU 34 8.427 -20.972 -6.459 217 HB3 GLU 34 HB3 GLU 34 8.997 -22.585 -6.081 218 HG2 GLU 34 HG2 GLU 34 6.244 -21.726 -5.295 219 HG3 GLU 34 HG3 GLU 34 6.587 -22.245 -6.945 220 H GLN 35 H GLN 35 10.382 -19.682 -3.457 221 HA GLN 35 HA GLN 35 12.586 -19.616 -2.921 222 HB2 GLN 35 HB2 GLN 35 12.318 -22.605 -2.573 223 HB3 GLN 35 HB3 GLN 35 13.585 -21.588 -1.903 224 HG2 GLN 35 HG2 GLN 35 11.859 -20.397 -0.586 225 HG3 GLN 35 HG3 GLN 35 10.666 -21.537 -1.194 226 HE21 GLN 35 HE21 GLN 35 11.520 -21.022 1.532 227 HE22 GLN 35 HE22 GLN 35 12.083 -22.532 2.155 228 H HIS 36 H HIS 36 11.846 -19.906 -5.659 229 HA HIS 36 HA HIS 36 12.693 -20.265 -7.731 230 HB2 HIS 36 HB2 HIS 36 15.406 -20.450 -6.385 231 HB3 HIS 36 HB3 HIS 36 15.069 -19.995 -8.056 232 HD1 HIS 36 HD1 HIS 36 14.827 -17.554 -8.505 233 HD2 HIS 36 HD2 HIS 36 14.402 -18.453 -4.472 234 HE1 HIS 36 HE1 HIS 36 14.738 -15.353 -7.343 235 HA PRO 37 HA PRO 37 12.855 -24.809 -6.910 236 HB2 PRO 37 HB2 PRO 37 10.727 -25.459 -8.442 237 HB3 PRO 37 HB3 PRO 37 10.550 -24.876 -6.782 238 HG2 PRO 37 HG2 PRO 37 10.251 -23.381 -9.355 239 HG3 PRO 37 HG3 PRO 37 9.234 -23.321 -7.905 240 HD2 PRO 37 HD2 PRO 37 11.121 -21.445 -8.476 241 HD3 PRO 37 HD3 PRO 37 10.666 -21.871 -6.817 242 H ASN 38 H ASN 38 12.140 -23.212 -9.994 243 HA ASN 38 HA ASN 38 13.565 -25.289 -11.441 244 HB2 ASN 38 HB2 ASN 38 11.978 -22.877 -12.322 245 HB3 ASN 38 HB3 ASN 38 12.929 -23.833 -13.451 246 HD21 ASN 38 HD21 ASN 38 11.340 -25.364 -10.766 247 HD22 ASN 38 HD22 ASN 38 10.101 -26.142 -11.681 248 H GLY 39 H GLY 39 14.025 -22.089 -10.248 249 HA2 GLY 39 HA2 GLY 39 16.290 -21.341 -9.842 250 HA3 GLY 39 HA3 GLY 39 16.763 -22.153 -11.323 251 H GLU 40 H GLU 40 13.947 -20.059 -10.978 252 HA GLU 40 HA GLU 40 15.324 -18.194 -12.759 253 HB2 GLU 40 HB2 GLU 40 13.181 -17.476 -13.576 254 HB3 GLU 40 HB3 GLU 40 13.303 -19.222 -13.699 255 HG2 GLU 40 HG2 GLU 40 12.137 -18.759 -11.225 256 HG3 GLU 40 HG3 GLU 40 11.364 -17.619 -12.330 257 HA PRO 41 HA PRO 41 15.126 -15.134 -9.551 258 HB2 PRO 41 HB2 PRO 41 15.585 -12.968 -11.128 259 HB3 PRO 41 HB3 PRO 41 16.863 -14.102 -10.674 260 HG2 PRO 41 HG2 PRO 41 15.287 -13.944 -13.214 261 HG3 PRO 41 HG3 PRO 41 17.025 -14.218 -12.991 262 HD2 PRO 41 HD2 PRO 41 15.283 -16.227 -13.498 263 HD3 PRO 41 HD3 PRO 41 16.738 -16.452 -12.506 264 H CYS 42 H CYS 42 13.966 -12.890 -9.308 265 HA CYS 42 HA CYS 42 11.195 -13.318 -9.924 266 HB2 CYS 42 HB2 CYS 42 10.788 -11.408 -8.515 267 HB3 CYS 42 HB3 CYS 42 12.027 -12.395 -7.744 268 HA PRO 43 HA PRO 43 10.944 -10.800 -13.550 269 HB2 PRO 43 HB2 PRO 43 8.425 -9.804 -13.351 270 HB3 PRO 43 HB3 PRO 43 8.761 -11.496 -13.730 271 HG2 PRO 43 HG2 PRO 43 8.029 -10.256 -11.103 272 HG3 PRO 43 HG3 PRO 43 7.420 -11.749 -11.841 273 HD2 PRO 43 HD2 PRO 43 9.316 -11.751 -9.910 274 HD3 PRO 43 HD3 PRO 43 9.273 -12.969 -11.202 275 H HIS 44 H HIS 44 12.417 -9.389 -11.672 276 HA HIS 44 HA HIS 44 11.536 -6.638 -12.174 277 HB2 HIS 44 HB2 HIS 44 12.473 -7.787 -9.538 278 HB3 HIS 44 HB3 HIS 44 12.532 -6.063 -9.887 279 HD2 HIS 44 HD2 HIS 44 10.164 -4.732 -9.549 280 HE1 HIS 44 HE1 HIS 44 7.737 -8.113 -8.757 281 HE2 HIS 44 HE2 HIS 44 7.952 -5.623 -8.547 282 HA PRO 45 HA PRO 45 15.711 -6.745 -13.761 283 HB2 PRO 45 HB2 PRO 45 15.821 -4.294 -14.821 284 HB3 PRO 45 HB3 PRO 45 14.785 -5.550 -15.514 285 HG2 PRO 45 HG2 PRO 45 14.049 -3.296 -13.678 286 HG3 PRO 45 HG3 PRO 45 13.224 -3.851 -15.147 287 HD2 PRO 45 HD2 PRO 45 12.424 -4.574 -12.626 288 HD3 PRO 45 HD3 PRO 45 12.185 -5.589 -14.059 289 H ASP 46 H ASP 46 15.134 -5.756 -10.867 290 HA ASP 46 HA ASP 46 17.223 -3.716 -10.661 291 HB2 ASP 46 HB2 ASP 46 15.275 -3.187 -9.376 292 HB3 ASP 46 HB3 ASP 46 15.280 -4.776 -8.611 293 H CYS 47 H CYS 47 16.576 -7.032 -9.664 294 HA CYS 47 HA CYS 47 19.398 -7.228 -8.922 295 HB2 CYS 47 HB2 CYS 47 18.873 -8.527 -6.940 296 HB3 CYS 47 HB3 CYS 47 18.072 -6.966 -6.849 297 H HIS 48 H HIS 48 19.580 -9.799 -8.253 298 HA HIS 48 HA HIS 48 18.410 -11.330 -10.440 299 HB2 HIS 48 HB2 HIS 48 20.665 -12.252 -11.014 300 HB3 HIS 48 HB3 HIS 48 20.480 -10.552 -11.408 301 HD1 HIS 48 HD1 HIS 48 22.222 -12.830 -8.951 302 HD2 HIS 48 HD2 HIS 48 22.261 -8.847 -10.132 303 HE1 HIS 48 HE1 HIS 48 24.239 -11.822 -7.855 304 HE2 HIS 48 HE2 HIS 48 24.303 -9.440 -8.663 305 H CYS 49 H CYS 49 17.670 -11.510 -7.799 306 HA CYS 49 HA CYS 49 19.160 -13.357 -6.287 307 HB2 CYS 49 HB2 CYS 49 17.202 -13.577 -4.892 308 HB3 CYS 49 HB3 CYS 49 17.387 -11.888 -5.347 309 H GLU 50 H GLU 50 19.195 -15.500 -6.232 310 HA GLU 50 HA GLU 50 17.242 -17.212 -7.327 311 HB2 GLU 50 HB2 GLU 50 18.632 -16.146 -9.329 312 HB3 GLU 50 HB3 GLU 50 19.807 -17.376 -8.874 313 HG2 GLU 50 HG2 GLU 50 16.996 -18.178 -9.302 314 HG3 GLU 50 HG3 GLU 50 17.975 -17.782 -10.716 315 H ARG 51 H ARG 51 18.040 -19.523 -7.087 316 HA ARG 51 HA ARG 51 19.391 -19.553 -4.567 317 HB2 ARG 51 HB2 ARG 51 18.856 -21.880 -4.444 318 HB3 ARG 51 HB3 ARG 51 17.432 -20.983 -4.960 319 HG2 ARG 51 HG2 ARG 51 17.770 -21.690 -7.230 320 HG3 ARG 51 HG3 ARG 51 19.284 -22.481 -6.787 321 HD2 ARG 51 HD2 ARG 51 17.934 -23.883 -5.198 322 HD3 ARG 51 HD3 ARG 51 16.491 -23.235 -5.986 323 HE ARG 51 HE ARG 51 18.384 -24.294 -7.851 324 HH11 ARG 51 HH11 ARG 51 15.729 -25.176 -5.735 325 HH12 ARG 51 HH12 ARG 51 15.392 -26.655 -6.562 326 HH21 ARG 51 HH21 ARG 51 17.952 -26.247 -8.941 327 HH22 ARG 51 HH22 ARG 51 16.662 -27.272 -8.406 328 H SER 52 H SER 52 21.242 -20.631 -4.049 329 HA SER 52 HA SER 52 22.879 -21.843 -6.074 330 HB2 SER 52 HB2 SER 52 23.570 -19.172 -4.871 331 HB3 SER 52 HB3 SER 52 24.772 -20.201 -5.659 332 HG SER 52 HG SER 52 22.467 -19.766 -7.114 Start of MODEL 17 1 HA ASN 1 HA ASN 1 1.549 -0.938 0.480 2 HB2 ASN 1 HB2 ASN 1 0.135 -1.480 3.104 3 HB3 ASN 1 HB3 ASN 1 0.713 0.096 2.576 4 HD21 ASN 1 HD21 ASN 1 -0.347 1.149 0.907 5 HD22 ASN 1 HD22 ASN 1 -1.944 0.708 0.418 6 H GLU 2 H GLU 2 1.766 -2.718 3.547 7 HA GLU 2 HA GLU 2 4.515 -1.755 3.830 8 HB2 GLU 2 HB2 GLU 2 2.650 -2.962 5.882 9 HB3 GLU 2 HB3 GLU 2 4.263 -2.348 6.204 10 HG2 GLU 2 HG2 GLU 2 1.982 -0.676 5.167 11 HG3 GLU 2 HG3 GLU 2 2.445 -0.797 6.862 12 H LEU 3 H LEU 3 3.474 -4.103 2.197 13 HA LEU 3 HA LEU 3 4.501 -6.428 3.526 14 HB2 LEU 3 HB2 LEU 3 3.502 -5.952 0.731 15 HB3 LEU 3 HB3 LEU 3 4.230 -7.472 1.203 16 HG LEU 3 HG LEU 3 1.869 -7.737 1.263 17 HD11 LEU 3 HD11 LEU 3 2.852 -7.423 4.090 18 HD12 LEU 3 HD12 LEU 3 3.122 -8.824 3.053 19 HD13 LEU 3 HD13 LEU 3 1.486 -8.401 3.557 20 HD21 LEU 3 HD21 LEU 3 1.177 -5.422 1.406 21 HD22 LEU 3 HD22 LEU 3 1.781 -5.319 3.059 22 HD23 LEU 3 HD23 LEU 3 0.407 -6.362 2.685 23 H ARG 4 H ARG 4 6.312 -7.597 3.050 24 HA ARG 4 HA ARG 4 8.351 -6.289 1.379 25 HB2 ARG 4 HB2 ARG 4 8.445 -6.566 4.156 26 HB3 ARG 4 HB3 ARG 4 9.413 -7.907 3.560 27 HG2 ARG 4 HG2 ARG 4 10.941 -6.183 3.859 28 HG3 ARG 4 HG3 ARG 4 10.603 -6.156 2.124 29 HD2 ARG 4 HD2 ARG 4 8.847 -4.425 2.623 30 HD3 ARG 4 HD3 ARG 4 9.514 -4.337 4.250 31 HE ARG 4 HE ARG 4 11.290 -3.889 1.966 32 HH11 ARG 4 HH11 ARG 4 9.652 -2.621 4.805 33 HH12 ARG 4 HH12 ARG 4 10.467 -1.098 4.749 34 HH21 ARG 4 HH21 ARG 4 12.370 -1.858 1.904 35 HH22 ARG 4 HH22 ARG 4 12.017 -0.663 3.103 36 H CYS 5 H CYS 5 9.564 -7.720 0.113 37 HA CYS 5 HA CYS 5 8.443 -10.261 -0.403 38 HB2 CYS 5 HB2 CYS 5 9.821 -8.912 -2.046 39 HB3 CYS 5 HB3 CYS 5 11.246 -9.369 -1.113 40 H GLY 6 H GLY 6 8.912 -12.226 0.386 41 HA2 GLY 6 HA2 GLY 6 10.414 -12.355 2.835 42 HA3 GLY 6 HA3 GLY 6 9.550 -13.679 2.071 43 H CYS 7 H CYS 7 11.735 -12.028 0.021 44 HA CYS 7 HA CYS 7 13.488 -14.333 0.122 45 HB2 CYS 7 HB2 CYS 7 12.552 -13.505 -2.073 46 HB3 CYS 7 HB3 CYS 7 13.535 -12.060 -1.871 47 HA PRO 8 HA PRO 8 16.323 -11.919 2.577 48 HB2 PRO 8 HB2 PRO 8 18.304 -13.774 2.671 49 HB3 PRO 8 HB3 PRO 8 16.832 -13.898 3.643 50 HG2 PRO 8 HG2 PRO 8 17.521 -15.254 1.068 51 HG3 PRO 8 HG3 PRO 8 16.733 -15.923 2.509 52 HD2 PRO 8 HD2 PRO 8 15.358 -15.174 0.296 53 HD3 PRO 8 HD3 PRO 8 14.673 -15.072 1.930 54 H ASP 9 H ASP 9 16.716 -13.007 -0.612 55 HA ASP 9 HA ASP 9 19.133 -11.365 -0.923 56 HB2 ASP 9 HB2 ASP 9 18.207 -13.785 -2.470 57 HB3 ASP 9 HB3 ASP 9 19.453 -12.697 -3.073 58 H CYS 10 H CYS 10 16.021 -10.958 -1.108 59 HA CYS 10 HA CYS 10 16.197 -9.001 -3.199 60 HB2 CYS 10 HB2 CYS 10 15.722 -10.726 -4.689 61 HB3 CYS 10 HB3 CYS 10 14.631 -11.526 -3.565 62 H HIS 11 H HIS 11 15.238 -7.315 -2.249 63 HA HIS 11 HA HIS 11 12.677 -7.837 -0.930 64 HB2 HIS 11 HB2 HIS 11 14.752 -5.746 -0.327 65 HB3 HIS 11 HB3 HIS 11 13.084 -5.574 0.206 66 HD2 HIS 11 HD2 HIS 11 16.063 -8.102 0.787 67 HE1 HIS 11 HE1 HIS 11 13.402 -8.270 4.084 68 HE2 HIS 11 HE2 HIS 11 15.573 -9.101 3.115 69 H CYS 12 H CYS 12 11.263 -7.582 -2.530 70 HA CYS 12 HA CYS 12 11.243 -4.998 -3.935 71 HB2 CYS 12 HB2 CYS 12 10.023 -7.678 -4.647 72 HB3 CYS 12 HB3 CYS 12 9.587 -6.200 -5.489 73 H LYS 13 H LYS 13 9.263 -3.786 -3.943 74 HA LYS 13 HA LYS 13 7.700 -4.151 -1.553 75 HB2 LYS 13 HB2 LYS 13 8.336 -1.898 -2.534 76 HB3 LYS 13 HB3 LYS 13 7.173 -2.201 -3.812 77 HG2 LYS 13 HG2 LYS 13 6.294 -2.289 -0.949 78 HG3 LYS 13 HG3 LYS 13 6.519 -0.738 -1.753 79 HD2 LYS 13 HD2 LYS 13 4.916 -1.403 -3.484 80 HD3 LYS 13 HD3 LYS 13 4.709 -2.969 -2.699 81 HE2 LYS 13 HE2 LYS 13 2.875 -1.483 -2.123 82 HE3 LYS 13 HE3 LYS 13 3.849 -1.835 -0.697 83 HZ1 LYS 13 HZ1 LYS 13 3.266 0.506 -0.831 84 HZ2 LYS 13 HZ2 LYS 13 4.023 0.638 -2.333 85 HZ3 LYS 13 HZ3 LYS 13 4.937 0.304 -0.953 86 H VAL 14 H VAL 14 6.128 -5.553 -1.420 87 HA VAL 14 HA VAL 14 4.844 -6.485 -3.872 88 HB VAL 14 HB VAL 14 4.421 -7.693 -1.158 89 HG11 VAL 14 HG11 VAL 14 4.339 -8.751 -3.969 90 HG12 VAL 14 HG12 VAL 14 2.964 -8.454 -2.899 91 HG13 VAL 14 HG13 VAL 14 4.128 -9.726 -2.517 92 HG21 VAL 14 HG21 VAL 14 6.842 -7.545 -1.437 93 HG22 VAL 14 HG22 VAL 14 6.714 -8.290 -3.031 94 HG23 VAL 14 HG23 VAL 14 6.297 -9.216 -1.589 95 H ASP 15 H ASP 15 2.684 -6.400 -4.208 96 HA ASP 15 HA ASP 15 1.149 -4.615 -2.492 97 HB2 ASP 15 HB2 ASP 15 0.821 -5.589 -5.317 98 HB3 ASP 15 HB3 ASP 15 -0.503 -4.836 -4.450 99 HA PRO 16 HA PRO 16 -0.920 -8.146 -0.798 100 HB2 PRO 16 HB2 PRO 16 -2.979 -6.832 0.397 101 HB3 PRO 16 HB3 PRO 16 -1.338 -6.852 1.053 102 HG2 PRO 16 HG2 PRO 16 -2.703 -4.744 -0.564 103 HG3 PRO 16 HG3 PRO 16 -1.663 -4.562 0.860 104 HD2 PRO 16 HD2 PRO 16 -0.772 -4.154 -1.663 105 HD3 PRO 16 HD3 PRO 16 0.271 -4.785 -0.375 106 H GLU 17 H GLU 17 -2.274 -5.966 -3.106 107 HA GLU 17 HA GLU 17 -4.809 -7.240 -3.383 108 HB2 GLU 17 HB2 GLU 17 -3.282 -5.443 -5.280 109 HB3 GLU 17 HB3 GLU 17 -4.939 -5.970 -5.524 110 HG2 GLU 17 HG2 GLU 17 -5.579 -4.826 -3.437 111 HG3 GLU 17 HG3 GLU 17 -3.922 -4.246 -3.276 112 H ARG 18 H ARG 18 -1.631 -7.624 -4.782 113 HA ARG 18 HA ARG 18 -2.486 -10.131 -5.982 114 HB2 ARG 18 HB2 ARG 18 -0.924 -8.045 -7.524 115 HB3 ARG 18 HB3 ARG 18 -1.371 -9.645 -8.102 116 HG2 ARG 18 HG2 ARG 18 -3.731 -9.030 -7.996 117 HG3 ARG 18 HG3 ARG 18 -3.281 -7.434 -7.388 118 HD2 ARG 18 HD2 ARG 18 -2.489 -8.577 -10.068 119 HD3 ARG 18 HD3 ARG 18 -3.793 -7.421 -9.799 120 HE ARG 18 HE ARG 18 -1.142 -6.647 -8.892 121 HH11 ARG 18 HH11 ARG 18 -3.605 -6.388 -11.382 122 HH12 ARG 18 HH12 ARG 18 -2.927 -4.954 -12.069 123 HH21 ARG 18 HH21 ARG 18 -0.260 -4.754 -9.792 124 HH22 ARG 18 HH22 ARG 18 -1.023 -4.015 -11.159 125 H VAL 19 H VAL 19 -1.334 -10.888 -4.127 126 HA VAL 19 HA VAL 19 1.582 -10.840 -4.499 127 HB VAL 19 HB VAL 19 1.177 -9.577 -2.499 128 HG11 VAL 19 HG11 VAL 19 -0.569 -11.849 -1.578 129 HG12 VAL 19 HG12 VAL 19 -1.107 -10.229 -2.037 130 HG13 VAL 19 HG13 VAL 19 -0.093 -10.456 -0.607 131 HG21 VAL 19 HG21 VAL 19 2.286 -10.888 -0.809 132 HG22 VAL 19 HG22 VAL 19 2.998 -11.239 -2.388 133 HG23 VAL 19 HG23 VAL 19 1.876 -12.378 -1.652 134 H PHE 20 H PHE 20 2.660 -12.757 -4.272 135 HA PHE 20 HA PHE 20 0.983 -15.121 -4.322 136 HB2 PHE 20 HB2 PHE 20 3.961 -14.815 -4.754 137 HB3 PHE 20 HB3 PHE 20 3.054 -16.312 -4.947 138 HD1 PHE 20 HD1 PHE 20 3.490 -12.916 -6.248 139 HD2 PHE 20 HD2 PHE 20 1.874 -16.772 -6.937 140 HE1 PHE 20 HE1 PHE 20 3.030 -12.291 -8.594 141 HE2 PHE 20 HE2 PHE 20 1.404 -16.172 -9.275 142 HZ PHE 20 HZ PHE 20 1.983 -13.928 -10.107 143 H ASN 21 H ASN 21 0.430 -15.858 -2.467 144 HA ASN 21 HA ASN 21 2.158 -15.552 -0.141 145 HB2 ASN 21 HB2 ASN 21 -0.661 -16.644 -0.341 146 HB3 ASN 21 HB3 ASN 21 0.220 -16.358 1.154 147 HD21 ASN 21 HD21 ASN 21 0.549 -14.240 1.850 148 HD22 ASN 21 HD22 ASN 21 -0.357 -12.915 1.208 149 H HIS 22 H HIS 22 3.579 -17.064 0.264 150 HA HIS 22 HA HIS 22 2.809 -19.861 -0.188 151 HB2 HIS 22 HB2 HIS 22 4.245 -18.932 -2.034 152 HB3 HIS 22 HB3 HIS 22 5.538 -18.772 -0.851 153 HD2 HIS 22 HD2 HIS 22 6.303 -21.379 0.267 154 HE1 HIS 22 HE1 HIS 22 5.076 -23.400 -3.253 155 HE2 HIS 22 HE2 HIS 22 6.648 -23.420 -1.292 156 H ASP 23 H ASP 23 2.897 -20.882 1.634 157 HA ASP 23 HA ASP 23 3.437 -21.588 3.710 158 HB2 ASP 23 HB2 ASP 23 5.654 -21.991 2.534 159 HB3 ASP 23 HB3 ASP 23 6.211 -20.478 3.239 160 H GLY 24 H GLY 24 2.590 -18.759 3.193 161 HA2 GLY 24 HA2 GLY 24 1.805 -17.285 4.866 162 HA3 GLY 24 HA3 GLY 24 3.107 -17.822 5.915 163 H GLU 25 H GLU 25 4.546 -17.320 3.006 164 HA GLU 25 HA GLU 25 5.391 -14.644 3.851 165 HB2 GLU 25 HB2 GLU 25 6.689 -16.870 2.413 166 HB3 GLU 25 HB3 GLU 25 7.111 -15.253 1.876 167 HG2 GLU 25 HG2 GLU 25 8.702 -16.041 3.488 168 HG3 GLU 25 HG3 GLU 25 7.787 -14.685 4.144 169 H ALA 26 H ALA 26 5.439 -12.923 2.500 170 HA ALA 26 HA ALA 26 3.759 -13.079 0.098 171 HB1 ALA 26 HB1 ALA 26 3.715 -10.571 0.390 172 HB2 ALA 26 HB2 ALA 26 4.563 -10.811 1.919 173 HB3 ALA 26 HB3 ALA 26 2.951 -11.490 1.687 174 H TYR 27 H TYR 27 4.946 -13.310 -1.724 175 HA TYR 27 HA TYR 27 7.556 -11.948 -1.833 176 HB2 TYR 27 HB2 TYR 27 6.585 -14.336 -3.393 177 HB3 TYR 27 HB3 TYR 27 8.156 -13.574 -3.569 178 HD1 TYR 27 HD1 TYR 27 6.069 -15.714 -1.464 179 HD2 TYR 27 HD2 TYR 27 9.890 -13.918 -1.916 180 HE1 TYR 27 HE1 TYR 27 6.983 -17.258 0.207 181 HE2 TYR 27 HE2 TYR 27 10.817 -15.455 -0.242 182 HH TYR 27 HH TYR 27 9.189 -18.218 0.792 183 H CYS 28 H CYS 28 8.185 -11.023 -3.879 184 HA CYS 28 HA CYS 28 6.168 -9.493 -5.117 185 HB2 CYS 28 HB2 CYS 28 7.939 -8.760 -6.638 186 HB3 CYS 28 HB3 CYS 28 8.504 -8.767 -4.974 187 H SER 29 H SER 29 7.508 -12.601 -5.759 188 HA SER 29 HA SER 29 5.672 -12.955 -7.981 189 HB2 SER 29 HB2 SER 29 7.485 -13.971 -9.339 190 HB3 SER 29 HB3 SER 29 7.692 -12.239 -9.071 191 HG SER 29 HG SER 29 9.281 -12.657 -7.586 192 H GLN 30 H GLN 30 5.675 -15.279 -8.682 193 HA GLN 30 HA GLN 30 5.481 -16.931 -6.374 194 HB2 GLN 30 HB2 GLN 30 4.761 -18.686 -7.937 195 HB3 GLN 30 HB3 GLN 30 3.898 -17.182 -8.217 196 HG2 GLN 30 HG2 GLN 30 4.366 -17.875 -10.357 197 HG3 GLN 30 HG3 GLN 30 5.707 -16.782 -10.031 198 HE21 GLN 30 HE21 GLN 30 7.131 -17.698 -11.419 199 HE22 GLN 30 HE22 GLN 30 7.786 -19.284 -11.207 200 H ALA 31 H ALA 31 7.958 -16.236 -8.663 201 HA ALA 31 HA ALA 31 9.405 -18.648 -8.524 202 HB1 ALA 31 HB1 ALA 31 10.506 -15.878 -9.012 203 HB2 ALA 31 HB2 ALA 31 9.822 -16.943 -10.243 204 HB3 ALA 31 HB3 ALA 31 11.295 -17.409 -9.399 205 H CYS 32 H CYS 32 9.804 -15.604 -6.685 206 HA CYS 32 HA CYS 32 11.770 -16.625 -4.938 207 HB2 CYS 32 HB2 CYS 32 9.770 -14.379 -4.587 208 HB3 CYS 32 HB3 CYS 32 10.991 -14.767 -3.386 209 H ALA 33 H ALA 33 8.245 -16.611 -4.833 210 HA ALA 33 HA ALA 33 7.846 -17.576 -2.248 211 HB1 ALA 33 HB1 ALA 33 5.644 -18.201 -2.977 212 HB2 ALA 33 HB2 ALA 33 6.136 -18.125 -4.667 213 HB3 ALA 33 HB3 ALA 33 6.076 -16.652 -3.696 214 H GLU 34 H GLU 34 8.202 -19.314 -5.275 215 HA GLU 34 HA GLU 34 8.004 -21.900 -4.057 216 HB2 GLU 34 HB2 GLU 34 8.548 -20.841 -6.793 217 HB3 GLU 34 HB3 GLU 34 8.846 -22.532 -6.445 218 HG2 GLU 34 HG2 GLU 34 6.221 -21.436 -5.658 219 HG3 GLU 34 HG3 GLU 34 6.536 -21.621 -7.382 220 H GLN 35 H GLN 35 10.328 -19.749 -3.670 221 HA GLN 35 HA GLN 35 12.504 -19.795 -3.052 222 HB2 GLN 35 HB2 GLN 35 12.169 -22.799 -2.950 223 HB3 GLN 35 HB3 GLN 35 13.405 -21.853 -2.132 224 HG2 GLN 35 HG2 GLN 35 11.666 -20.775 -0.777 225 HG3 GLN 35 HG3 GLN 35 10.446 -21.748 -1.589 226 HE21 GLN 35 HE21 GLN 35 13.037 -21.740 0.698 227 HE22 GLN 35 HE22 GLN 35 12.722 -23.297 1.373 228 H HIS 36 H HIS 36 11.782 -19.870 -5.812 229 HA HIS 36 HA HIS 36 12.661 -20.069 -7.889 230 HB2 HIS 36 HB2 HIS 36 15.307 -20.470 -6.469 231 HB3 HIS 36 HB3 HIS 36 15.080 -19.976 -8.145 232 HD1 HIS 36 HD1 HIS 36 14.747 -17.510 -8.582 233 HD2 HIS 36 HD2 HIS 36 14.550 -18.470 -4.548 234 HE1 HIS 36 HE1 HIS 36 14.777 -15.327 -7.376 235 HA PRO 37 HA PRO 37 12.625 -24.674 -7.456 236 HB2 PRO 37 HB2 PRO 37 10.423 -25.136 -8.887 237 HB3 PRO 37 HB3 PRO 37 10.302 -24.525 -7.228 238 HG2 PRO 37 HG2 PRO 37 10.194 -23.003 -9.816 239 HG3 PRO 37 HG3 PRO 37 9.060 -22.929 -8.442 240 HD2 PRO 37 HD2 PRO 37 11.036 -21.100 -8.742 241 HD3 PRO 37 HD3 PRO 37 10.526 -21.654 -7.134 242 H ASN 38 H ASN 38 12.170 -22.600 -10.223 243 HA ASN 38 HA ASN 38 13.177 -24.653 -12.044 244 HB2 ASN 38 HB2 ASN 38 11.061 -23.060 -12.314 245 HB3 ASN 38 HB3 ASN 38 12.282 -21.988 -12.991 246 HD21 ASN 38 HD21 ASN 38 10.690 -25.030 -13.271 247 HD22 ASN 38 HD22 ASN 38 11.104 -25.322 -14.916 248 H GLY 39 H GLY 39 14.504 -22.582 -10.065 249 HA2 GLY 39 HA2 GLY 39 16.495 -21.453 -9.990 250 HA3 GLY 39 HA3 GLY 39 16.898 -22.257 -11.501 251 H GLU 40 H GLU 40 14.140 -20.174 -11.017 252 HA GLU 40 HA GLU 40 15.374 -18.276 -12.867 253 HB2 GLU 40 HB2 GLU 40 13.095 -17.603 -13.481 254 HB3 GLU 40 HB3 GLU 40 13.403 -19.299 -13.801 255 HG2 GLU 40 HG2 GLU 40 12.189 -19.918 -11.799 256 HG3 GLU 40 HG3 GLU 40 11.897 -18.213 -11.448 257 HA PRO 41 HA PRO 41 15.187 -15.276 -9.586 258 HB2 PRO 41 HB2 PRO 41 15.661 -13.064 -11.078 259 HB3 PRO 41 HB3 PRO 41 16.927 -14.241 -10.709 260 HG2 PRO 41 HG2 PRO 41 15.306 -13.926 -13.205 261 HG3 PRO 41 HG3 PRO 41 17.038 -14.253 -13.032 262 HD2 PRO 41 HD2 PRO 41 15.195 -16.182 -13.590 263 HD3 PRO 41 HD3 PRO 41 16.702 -16.501 -12.710 264 H CYS 42 H CYS 42 14.057 -12.946 -9.349 265 HA CYS 42 HA CYS 42 11.274 -13.367 -9.909 266 HB2 CYS 42 HB2 CYS 42 10.888 -11.394 -8.556 267 HB3 CYS 42 HB3 CYS 42 12.105 -12.380 -7.761 268 HA PRO 43 HA PRO 43 10.981 -11.051 -13.640 269 HB2 PRO 43 HB2 PRO 43 8.505 -9.980 -13.502 270 HB3 PRO 43 HB3 PRO 43 8.781 -11.714 -13.697 271 HG2 PRO 43 HG2 PRO 43 8.160 -10.170 -11.202 272 HG3 PRO 43 HG3 PRO 43 7.453 -11.692 -11.774 273 HD2 PRO 43 HD2 PRO 43 9.393 -11.616 -9.894 274 HD3 PRO 43 HD3 PRO 43 9.258 -12.946 -11.064 275 H HIS 44 H HIS 44 12.364 -9.510 -11.592 276 HA HIS 44 HA HIS 44 11.562 -6.792 -12.378 277 HB2 HIS 44 HB2 HIS 44 12.539 -7.825 -9.718 278 HB3 HIS 44 HB3 HIS 44 12.617 -6.118 -10.139 279 HD2 HIS 44 HD2 HIS 44 10.240 -4.746 -9.888 280 HE1 HIS 44 HE1 HIS 44 7.861 -8.042 -8.695 281 HE2 HIS 44 HE2 HIS 44 7.912 -5.566 -9.153 282 HA PRO 45 HA PRO 45 15.814 -6.811 -13.843 283 HB2 PRO 45 HB2 PRO 45 15.925 -4.348 -14.855 284 HB3 PRO 45 HB3 PRO 45 14.887 -5.574 -15.596 285 HG2 PRO 45 HG2 PRO 45 14.147 -3.363 -13.712 286 HG3 PRO 45 HG3 PRO 45 13.334 -3.877 -15.202 287 HD2 PRO 45 HD2 PRO 45 12.525 -4.663 -12.688 288 HD3 PRO 45 HD3 PRO 45 12.252 -5.609 -14.163 289 H ASP 46 H ASP 46 15.007 -5.951 -11.022 290 HA ASP 46 HA ASP 46 16.850 -3.777 -10.475 291 HB2 ASP 46 HB2 ASP 46 14.625 -3.869 -9.361 292 HB3 ASP 46 HB3 ASP 46 15.134 -5.344 -8.542 293 H CYS 47 H CYS 47 16.574 -7.232 -10.014 294 HA CYS 47 HA CYS 47 19.377 -7.363 -9.332 295 HB2 CYS 47 HB2 CYS 47 19.006 -8.652 -7.289 296 HB3 CYS 47 HB3 CYS 47 18.299 -7.046 -7.151 297 H HIS 48 H HIS 48 19.785 -9.846 -8.755 298 HA HIS 48 HA HIS 48 18.159 -11.564 -10.466 299 HB2 HIS 48 HB2 HIS 48 20.164 -10.796 -11.771 300 HB3 HIS 48 HB3 HIS 48 21.195 -11.502 -10.534 301 HD1 HIS 48 HD1 HIS 48 18.988 -12.405 -13.411 302 HD2 HIS 48 HD2 HIS 48 21.426 -14.300 -10.632 303 HE1 HIS 48 HE1 HIS 48 19.251 -14.770 -14.233 304 HE2 HIS 48 HE2 HIS 48 20.945 -15.788 -12.678 305 H CYS 49 H CYS 49 17.456 -11.928 -8.167 306 HA CYS 49 HA CYS 49 19.276 -13.316 -6.431 307 HB2 CYS 49 HB2 CYS 49 17.321 -13.536 -4.961 308 HB3 CYS 49 HB3 CYS 49 17.542 -11.876 -5.504 309 H GLU 50 H GLU 50 19.236 -15.476 -5.885 310 HA GLU 50 HA GLU 50 17.275 -17.313 -6.667 311 HB2 GLU 50 HB2 GLU 50 18.527 -16.697 -8.886 312 HB3 GLU 50 HB3 GLU 50 19.779 -17.765 -8.255 313 HG2 GLU 50 HG2 GLU 50 17.836 -19.439 -7.953 314 HG3 GLU 50 HG3 GLU 50 16.986 -18.388 -9.086 315 H ARG 51 H ARG 51 17.422 -18.637 -4.990 316 HA ARG 51 HA ARG 51 19.844 -18.962 -3.520 317 HB2 ARG 51 HB2 ARG 51 18.522 -20.465 -2.082 318 HB3 ARG 51 HB3 ARG 51 17.753 -18.904 -2.308 319 HG2 ARG 51 HG2 ARG 51 15.961 -20.335 -2.506 320 HG3 ARG 51 HG3 ARG 51 16.432 -20.141 -4.193 321 HD2 ARG 51 HD2 ARG 51 16.015 -22.475 -3.758 322 HD3 ARG 51 HD3 ARG 51 17.744 -22.243 -4.017 323 HE ARG 51 HE ARG 51 17.007 -22.118 -1.255 324 HH11 ARG 51 HH11 ARG 51 17.799 -24.283 -3.887 325 HH12 ARG 51 HH12 ARG 51 18.259 -25.588 -2.855 326 HH21 ARG 51 HH21 ARG 51 17.617 -23.865 0.137 327 HH22 ARG 51 HH22 ARG 51 18.159 -25.349 -0.569 328 H SER 52 H SER 52 20.856 -20.968 -3.074 329 HA SER 52 HA SER 52 20.349 -23.250 -4.724 330 HB2 SER 52 HB2 SER 52 22.742 -21.491 -5.224 331 HB3 SER 52 HB3 SER 52 22.663 -23.173 -5.771 332 HG SER 52 HG SER 52 20.450 -21.737 -6.438 Start of MODEL 18 1 HA ASN 1 HA ASN 1 -0.006 -2.143 5.339 2 HB2 ASN 1 HB2 ASN 1 1.364 0.534 5.035 3 HB3 ASN 1 HB3 ASN 1 -0.016 0.023 4.072 4 HD21 ASN 1 HD21 ASN 1 1.083 1.045 7.199 5 HD22 ASN 1 HD22 ASN 1 -0.482 1.316 7.882 6 H GLU 2 H GLU 2 3.380 -1.787 4.962 7 HA GLU 2 HA GLU 2 3.200 -2.475 2.122 8 HB2 GLU 2 HB2 GLU 2 4.618 -0.539 2.760 9 HB3 GLU 2 HB3 GLU 2 5.623 -1.624 3.711 10 HG2 GLU 2 HG2 GLU 2 6.272 -2.827 1.732 11 HG3 GLU 2 HG3 GLU 2 5.173 -1.860 0.752 12 H LEU 3 H LEU 3 3.853 -4.397 1.364 13 HA LEU 3 HA LEU 3 4.692 -6.393 3.318 14 HB2 LEU 3 HB2 LEU 3 3.431 -6.573 0.590 15 HB3 LEU 3 HB3 LEU 3 4.138 -7.968 1.375 16 HG LEU 3 HG LEU 3 1.773 -8.019 1.657 17 HD11 LEU 3 HD11 LEU 3 3.127 -8.804 3.524 18 HD12 LEU 3 HD12 LEU 3 1.583 -8.151 4.063 19 HD13 LEU 3 HD13 LEU 3 3.054 -7.199 4.252 20 HD21 LEU 3 HD21 LEU 3 0.533 -6.267 2.852 21 HD22 LEU 3 HD22 LEU 3 1.239 -5.677 1.348 22 HD23 LEU 3 HD23 LEU 3 1.993 -5.278 2.891 23 H ARG 4 H ARG 4 6.794 -6.869 3.399 24 HA ARG 4 HA ARG 4 8.510 -6.298 1.136 25 HB2 ARG 4 HB2 ARG 4 8.937 -7.071 3.952 26 HB3 ARG 4 HB3 ARG 4 10.098 -7.728 2.811 27 HG2 ARG 4 HG2 ARG 4 11.038 -5.739 3.594 28 HG3 ARG 4 HG3 ARG 4 10.416 -5.359 1.988 29 HD2 ARG 4 HD2 ARG 4 9.876 -3.600 3.555 30 HD3 ARG 4 HD3 ARG 4 8.411 -4.410 3.000 31 HE ARG 4 HE ARG 4 8.638 -5.726 5.173 32 HH11 ARG 4 HH11 ARG 4 9.586 -2.363 4.825 33 HH12 ARG 4 HH12 ARG 4 9.426 -2.015 6.510 34 HH21 ARG 4 HH21 ARG 4 8.430 -5.260 7.398 35 HH22 ARG 4 HH22 ARG 4 8.779 -3.665 7.974 36 H CYS 5 H CYS 5 9.807 -7.888 0.140 37 HA CYS 5 HA CYS 5 8.403 -10.260 -0.456 38 HB2 CYS 5 HB2 CYS 5 9.944 -9.009 -2.005 39 HB3 CYS 5 HB3 CYS 5 11.288 -9.620 -1.040 40 H GLY 6 H GLY 6 8.621 -12.255 0.397 41 HA2 GLY 6 HA2 GLY 6 9.879 -12.606 2.912 42 HA3 GLY 6 HA3 GLY 6 9.184 -13.882 1.926 43 H CYS 7 H CYS 7 11.149 -12.771 -0.234 44 HA CYS 7 HA CYS 7 13.184 -14.690 0.240 45 HB2 CYS 7 HB2 CYS 7 12.343 -14.115 -2.018 46 HB3 CYS 7 HB3 CYS 7 13.006 -12.500 -1.841 47 HA PRO 8 HA PRO 8 15.623 -11.945 2.759 48 HB2 PRO 8 HB2 PRO 8 17.752 -13.561 3.113 49 HB3 PRO 8 HB3 PRO 8 16.203 -13.855 3.912 50 HG2 PRO 8 HG2 PRO 8 17.336 -15.135 1.455 51 HG3 PRO 8 HG3 PRO 8 16.486 -15.888 2.818 52 HD2 PRO 8 HD2 PRO 8 15.279 -15.305 0.446 53 HD3 PRO 8 HD3 PRO 8 14.418 -15.321 1.995 54 H ASP 9 H ASP 9 16.629 -13.245 -0.281 55 HA ASP 9 HA ASP 9 18.951 -11.455 -0.372 56 HB2 ASP 9 HB2 ASP 9 18.167 -13.759 -2.171 57 HB3 ASP 9 HB3 ASP 9 19.591 -12.751 -2.401 58 H CYS 10 H CYS 10 15.859 -11.061 -0.916 59 HA CYS 10 HA CYS 10 16.289 -9.415 -3.295 60 HB2 CYS 10 HB2 CYS 10 15.303 -11.397 -4.162 61 HB3 CYS 10 HB3 CYS 10 14.104 -11.436 -2.879 62 H HIS 11 H HIS 11 15.521 -7.413 -3.084 63 HA HIS 11 HA HIS 11 13.542 -6.904 -0.974 64 HB2 HIS 11 HB2 HIS 11 15.671 -5.818 -0.484 65 HB3 HIS 11 HB3 HIS 11 15.660 -5.038 -2.062 66 HD2 HIS 11 HD2 HIS 11 12.905 -5.014 0.801 67 HE1 HIS 11 HE1 HIS 11 13.706 -1.049 -0.460 68 HE2 HIS 11 HE2 HIS 11 12.152 -2.547 0.823 69 H CYS 12 H CYS 12 11.621 -6.921 -2.007 70 HA CYS 12 HA CYS 12 11.203 -4.879 -4.067 71 HB2 CYS 12 HB2 CYS 12 10.277 -7.762 -4.214 72 HB3 CYS 12 HB3 CYS 12 9.582 -6.485 -5.199 73 H LYS 13 H LYS 13 9.231 -3.809 -3.919 74 HA LYS 13 HA LYS 13 7.748 -4.196 -1.461 75 HB2 LYS 13 HB2 LYS 13 8.321 -1.909 -2.411 76 HB3 LYS 13 HB3 LYS 13 7.170 -2.229 -3.695 77 HG2 LYS 13 HG2 LYS 13 6.196 -2.495 -0.907 78 HG3 LYS 13 HG3 LYS 13 6.545 -0.870 -1.489 79 HD2 LYS 13 HD2 LYS 13 5.014 -1.225 -3.373 80 HD3 LYS 13 HD3 LYS 13 4.677 -2.857 -2.799 81 HE2 LYS 13 HE2 LYS 13 3.651 -2.023 -0.818 82 HE3 LYS 13 HE3 LYS 13 4.186 -0.381 -1.165 83 HZ1 LYS 13 HZ1 LYS 13 2.724 -0.304 -3.046 84 HZ2 LYS 13 HZ2 LYS 13 1.833 -0.758 -1.684 85 HZ3 LYS 13 HZ3 LYS 13 2.261 -1.915 -2.838 86 H VAL 14 H VAL 14 6.212 -5.651 -1.354 87 HA VAL 14 HA VAL 14 4.930 -6.517 -3.830 88 HB VAL 14 HB VAL 14 4.586 -7.824 -1.144 89 HG11 VAL 14 HG11 VAL 14 4.384 -8.786 -3.985 90 HG12 VAL 14 HG12 VAL 14 3.061 -8.542 -2.841 91 HG13 VAL 14 HG13 VAL 14 4.251 -9.815 -2.563 92 HG21 VAL 14 HG21 VAL 14 6.448 -9.327 -1.708 93 HG22 VAL 14 HG22 VAL 14 6.991 -7.662 -1.510 94 HG23 VAL 14 HG23 VAL 14 6.805 -8.341 -3.126 95 H ASP 15 H ASP 15 2.836 -6.266 -4.213 96 HA ASP 15 HA ASP 15 1.329 -4.555 -2.429 97 HB2 ASP 15 HB2 ASP 15 0.905 -5.505 -5.254 98 HB3 ASP 15 HB3 ASP 15 -0.310 -4.599 -4.367 99 HA PRO 16 HA PRO 16 -0.851 -8.039 -0.790 100 HB2 PRO 16 HB2 PRO 16 -2.730 -6.763 0.619 101 HB3 PRO 16 HB3 PRO 16 -1.024 -6.655 1.072 102 HG2 PRO 16 HG2 PRO 16 -2.710 -4.687 -0.428 103 HG3 PRO 16 HG3 PRO 16 -1.532 -4.393 0.863 104 HD2 PRO 16 HD2 PRO 16 -0.986 -4.072 -1.811 105 HD3 PRO 16 HD3 PRO 16 0.242 -4.432 -0.583 106 H GLU 17 H GLU 17 -1.858 -6.236 -3.270 107 HA GLU 17 HA GLU 17 -4.633 -7.068 -3.303 108 HB2 GLU 17 HB2 GLU 17 -3.106 -5.442 -5.335 109 HB3 GLU 17 HB3 GLU 17 -4.852 -5.582 -5.182 110 HG2 GLU 17 HG2 GLU 17 -4.857 -4.357 -3.141 111 HG3 GLU 17 HG3 GLU 17 -3.099 -4.413 -3.036 112 H ARG 18 H ARG 18 -1.558 -7.826 -4.792 113 HA ARG 18 HA ARG 18 -2.815 -10.042 -6.250 114 HB2 ARG 18 HB2 ARG 18 -0.869 -8.080 -7.488 115 HB3 ARG 18 HB3 ARG 18 -1.446 -9.551 -8.255 116 HG2 ARG 18 HG2 ARG 18 -3.157 -7.202 -7.461 117 HG3 ARG 18 HG3 ARG 18 -2.582 -7.545 -9.095 118 HD2 ARG 18 HD2 ARG 18 -3.795 -9.725 -8.987 119 HD3 ARG 18 HD3 ARG 18 -4.456 -9.230 -7.431 120 HE ARG 18 HE ARG 18 -5.008 -7.230 -9.297 121 HH11 ARG 18 HH11 ARG 18 -5.894 -10.550 -8.618 122 HH12 ARG 18 HH12 ARG 18 -7.453 -10.421 -9.356 123 HH21 ARG 18 HH21 ARG 18 -7.065 -7.055 -10.277 124 HH22 ARG 18 HH22 ARG 18 -8.126 -8.423 -10.298 125 H VAL 19 H VAL 19 -1.060 -9.663 -3.847 126 HA VAL 19 HA VAL 19 1.565 -10.551 -4.463 127 HB VAL 19 HB VAL 19 1.241 -9.395 -2.383 128 HG11 VAL 19 HG11 VAL 19 -1.088 -9.908 -1.974 129 HG12 VAL 19 HG12 VAL 19 -0.108 -10.302 -0.556 130 HG13 VAL 19 HG13 VAL 19 -0.675 -11.588 -1.621 131 HG21 VAL 19 HG21 VAL 19 1.740 -12.298 -1.753 132 HG22 VAL 19 HG22 VAL 19 2.224 -10.917 -0.770 133 HG23 VAL 19 HG23 VAL 19 2.944 -11.167 -2.362 134 H PHE 20 H PHE 20 2.510 -12.585 -4.365 135 HA PHE 20 HA PHE 20 0.692 -14.844 -4.433 136 HB2 PHE 20 HB2 PHE 20 3.709 -14.735 -4.710 137 HB3 PHE 20 HB3 PHE 20 2.739 -16.193 -4.865 138 HD1 PHE 20 HD1 PHE 20 3.575 -13.009 -6.338 139 HD2 PHE 20 HD2 PHE 20 1.533 -16.661 -6.876 140 HE1 PHE 20 HE1 PHE 20 3.339 -12.499 -8.751 141 HE2 PHE 20 HE2 PHE 20 1.278 -16.192 -9.279 142 HZ PHE 20 HZ PHE 20 2.184 -14.103 -10.222 143 H ASN 21 H ASN 21 0.015 -15.436 -2.541 144 HA ASN 21 HA ASN 21 1.742 -15.240 -0.216 145 HB2 ASN 21 HB2 ASN 21 -1.177 -15.825 -0.578 146 HB3 ASN 21 HB3 ASN 21 -0.376 -16.208 0.943 147 HD21 ASN 21 HD21 ASN 21 -2.468 -14.245 0.324 148 HD22 ASN 21 HD22 ASN 21 -1.845 -12.719 0.848 149 H HIS 22 H HIS 22 3.117 -16.755 0.109 150 HA HIS 22 HA HIS 22 2.312 -19.545 -0.381 151 HB2 HIS 22 HB2 HIS 22 3.882 -18.334 -2.084 152 HB3 HIS 22 HB3 HIS 22 5.108 -18.610 -0.854 153 HD2 HIS 22 HD2 HIS 22 5.629 -21.397 -0.362 154 HE1 HIS 22 HE1 HIS 22 3.944 -22.613 -4.056 155 HE2 HIS 22 HE2 HIS 22 5.508 -23.226 -2.185 156 H ASP 23 H ASP 23 2.375 -20.592 1.466 157 HA ASP 23 HA ASP 23 2.947 -21.332 3.524 158 HB2 ASP 23 HB2 ASP 23 5.620 -20.312 2.593 159 HB3 ASP 23 HB3 ASP 23 5.419 -20.927 4.229 160 H GLY 24 H GLY 24 2.045 -18.503 3.015 161 HA2 GLY 24 HA2 GLY 24 1.195 -17.062 4.680 162 HA3 GLY 24 HA3 GLY 24 2.452 -17.621 5.770 163 H GLU 25 H GLU 25 4.145 -17.092 3.054 164 HA GLU 25 HA GLU 25 4.807 -14.394 3.970 165 HB2 GLU 25 HB2 GLU 25 6.377 -16.536 2.621 166 HB3 GLU 25 HB3 GLU 25 6.859 -14.861 2.403 167 HG2 GLU 25 HG2 GLU 25 8.138 -15.778 4.171 168 HG3 GLU 25 HG3 GLU 25 6.981 -14.644 4.863 169 H ALA 26 H ALA 26 5.255 -12.755 2.527 170 HA ALA 26 HA ALA 26 3.657 -12.879 0.082 171 HB1 ALA 26 HB1 ALA 26 3.817 -10.382 0.219 172 HB2 ALA 26 HB2 ALA 26 4.663 -10.582 1.755 173 HB3 ALA 26 HB3 ALA 26 2.998 -11.137 1.585 174 H TYR 27 H TYR 27 4.809 -13.303 -1.708 175 HA TYR 27 HA TYR 27 7.512 -12.156 -1.907 176 HB2 TYR 27 HB2 TYR 27 6.389 -14.600 -3.283 177 HB3 TYR 27 HB3 TYR 27 8.017 -13.968 -3.478 178 HD1 TYR 27 HD1 TYR 27 5.733 -15.761 -1.228 179 HD2 TYR 27 HD2 TYR 27 9.701 -14.338 -1.778 180 HE1 TYR 27 HE1 TYR 27 6.499 -17.210 0.596 181 HE2 TYR 27 HE2 TYR 27 10.479 -15.781 0.051 182 HH TYR 27 HH TYR 27 8.507 -18.241 1.410 183 H CYS 28 H CYS 28 8.090 -11.148 -3.870 184 HA CYS 28 HA CYS 28 6.032 -9.801 -5.223 185 HB2 CYS 28 HB2 CYS 28 7.806 -9.024 -6.752 186 HB3 CYS 28 HB3 CYS 28 8.270 -8.868 -5.063 187 H SER 29 H SER 29 7.630 -12.828 -5.886 188 HA SER 29 HA SER 29 5.717 -13.296 -8.047 189 HB2 SER 29 HB2 SER 29 7.802 -12.608 -9.167 190 HB3 SER 29 HB3 SER 29 8.680 -13.867 -8.295 191 HG SER 29 HG SER 29 7.038 -14.055 -10.497 192 H GLN 30 H GLN 30 5.685 -15.613 -8.668 193 HA GLN 30 HA GLN 30 5.498 -17.212 -6.351 194 HB2 GLN 30 HB2 GLN 30 4.914 -19.052 -7.946 195 HB3 GLN 30 HB3 GLN 30 3.947 -17.602 -8.165 196 HG2 GLN 30 HG2 GLN 30 4.428 -18.233 -10.332 197 HG3 GLN 30 HG3 GLN 30 5.648 -17.006 -10.005 198 HE21 GLN 30 HE21 GLN 30 7.233 -17.630 -11.305 199 HE22 GLN 30 HE22 GLN 30 8.025 -19.166 -11.255 200 H ALA 31 H ALA 31 7.994 -16.519 -8.634 201 HA ALA 31 HA ALA 31 9.522 -18.872 -8.406 202 HB1 ALA 31 HB1 ALA 31 11.383 -17.599 -9.291 203 HB2 ALA 31 HB2 ALA 31 10.554 -16.082 -8.936 204 HB3 ALA 31 HB3 ALA 31 9.908 -17.179 -10.158 205 H CYS 32 H CYS 32 9.777 -15.781 -6.613 206 HA CYS 32 HA CYS 32 11.735 -16.719 -4.807 207 HB2 CYS 32 HB2 CYS 32 9.702 -14.485 -4.580 208 HB3 CYS 32 HB3 CYS 32 10.885 -14.823 -3.327 209 H ALA 33 H ALA 33 8.192 -16.688 -4.729 210 HA ALA 33 HA ALA 33 7.779 -17.651 -2.149 211 HB1 ALA 33 HB1 ALA 33 5.588 -18.319 -2.919 212 HB2 ALA 33 HB2 ALA 33 6.107 -18.176 -4.598 213 HB3 ALA 33 HB3 ALA 33 6.014 -16.740 -3.574 214 H GLU 34 H GLU 34 8.293 -19.398 -5.151 215 HA GLU 34 HA GLU 34 8.054 -21.993 -3.933 216 HB2 GLU 34 HB2 GLU 34 8.760 -20.967 -6.659 217 HB3 GLU 34 HB3 GLU 34 8.976 -22.660 -6.257 218 HG2 GLU 34 HG2 GLU 34 6.349 -21.317 -5.820 219 HG3 GLU 34 HG3 GLU 34 6.814 -21.904 -7.418 220 H GLN 35 H GLN 35 10.341 -19.750 -3.607 221 HA GLN 35 HA GLN 35 12.494 -19.703 -2.928 222 HB2 GLN 35 HB2 GLN 35 12.220 -22.694 -2.611 223 HB3 GLN 35 HB3 GLN 35 13.430 -21.666 -1.853 224 HG2 GLN 35 HG2 GLN 35 11.600 -20.481 -0.666 225 HG3 GLN 35 HG3 GLN 35 10.467 -21.643 -1.345 226 HE21 GLN 35 HE21 GLN 35 9.863 -22.428 0.642 227 HE22 GLN 35 HE22 GLN 35 10.905 -23.410 1.608 228 H HIS 36 H HIS 36 11.808 -20.091 -5.703 229 HA HIS 36 HA HIS 36 12.779 -20.312 -7.726 230 HB2 HIS 36 HB2 HIS 36 15.419 -20.571 -6.266 231 HB3 HIS 36 HB3 HIS 36 15.178 -20.111 -7.952 232 HD1 HIS 36 HD1 HIS 36 14.880 -17.657 -8.419 233 HD2 HIS 36 HD2 HIS 36 14.463 -18.571 -4.390 234 HE1 HIS 36 HE1 HIS 36 14.770 -15.462 -7.241 235 HA PRO 37 HA PRO 37 13.001 -24.915 -7.289 236 HB2 PRO 37 HB2 PRO 37 10.773 -25.505 -8.624 237 HB3 PRO 37 HB3 PRO 37 10.670 -24.900 -6.963 238 HG2 PRO 37 HG2 PRO 37 10.390 -23.376 -9.545 239 HG3 PRO 37 HG3 PRO 37 9.284 -23.391 -8.143 240 HD2 PRO 37 HD2 PRO 37 11.128 -21.432 -8.469 241 HD3 PRO 37 HD3 PRO 37 10.692 -22.030 -6.855 242 H ASN 38 H ASN 38 12.368 -22.739 -9.897 243 HA ASN 38 HA ASN 38 13.229 -24.622 -11.947 244 HB2 ASN 38 HB2 ASN 38 11.158 -23.070 -12.020 245 HB3 ASN 38 HB3 ASN 38 12.321 -21.801 -12.383 246 HD21 ASN 38 HD21 ASN 38 10.872 -24.736 -13.442 247 HD22 ASN 38 HD22 ASN 38 11.339 -24.602 -15.082 248 H GLY 39 H GLY 39 14.655 -22.572 -9.854 249 HA2 GLY 39 HA2 GLY 39 16.705 -21.535 -9.783 250 HA3 GLY 39 HA3 GLY 39 17.074 -22.338 -11.302 251 H GLU 40 H GLU 40 14.330 -20.246 -10.905 252 HA GLU 40 HA GLU 40 15.644 -18.321 -12.668 253 HB2 GLU 40 HB2 GLU 40 13.435 -17.695 -13.460 254 HB3 GLU 40 HB3 GLU 40 13.705 -19.415 -13.660 255 HG2 GLU 40 HG2 GLU 40 12.398 -19.818 -11.613 256 HG3 GLU 40 HG3 GLU 40 12.039 -18.092 -11.556 257 HA PRO 41 HA PRO 41 15.285 -15.318 -9.405 258 HB2 PRO 41 HB2 PRO 41 15.705 -13.096 -10.900 259 HB3 PRO 41 HB3 PRO 41 17.007 -14.221 -10.495 260 HG2 PRO 41 HG2 PRO 41 15.420 -13.993 -13.024 261 HG3 PRO 41 HG3 PRO 41 17.164 -14.235 -12.817 262 HD2 PRO 41 HD2 PRO 41 15.451 -16.262 -13.400 263 HD3 PRO 41 HD3 PRO 41 16.932 -16.497 -12.449 264 H CYS 42 H CYS 42 14.147 -12.928 -9.333 265 HA CYS 42 HA CYS 42 11.371 -13.461 -9.886 266 HB2 CYS 42 HB2 CYS 42 10.905 -11.481 -8.549 267 HB3 CYS 42 HB3 CYS 42 12.093 -12.471 -7.715 268 HA PRO 43 HA PRO 43 11.018 -11.177 -13.627 269 HB2 PRO 43 HB2 PRO 43 8.531 -10.131 -13.462 270 HB3 PRO 43 HB3 PRO 43 8.829 -11.861 -13.666 271 HG2 PRO 43 HG2 PRO 43 8.226 -10.332 -11.156 272 HG3 PRO 43 HG3 PRO 43 7.531 -11.862 -11.723 273 HD2 PRO 43 HD2 PRO 43 9.489 -11.777 -9.875 274 HD3 PRO 43 HD3 PRO 43 9.375 -13.090 -11.064 275 H HIS 44 H HIS 44 12.259 -9.599 -11.430 276 HA HIS 44 HA HIS 44 11.528 -6.918 -12.352 277 HB2 HIS 44 HB2 HIS 44 12.590 -7.927 -9.706 278 HB3 HIS 44 HB3 HIS 44 12.688 -6.223 -10.150 279 HD2 HIS 44 HD2 HIS 44 10.326 -4.791 -9.849 280 HE1 HIS 44 HE1 HIS 44 7.887 -8.004 -8.532 281 HE2 HIS 44 HE2 HIS 44 8.120 -5.512 -8.696 282 HA PRO 45 HA PRO 45 15.364 -7.237 -14.490 283 HB2 PRO 45 HB2 PRO 45 15.740 -4.728 -15.297 284 HB3 PRO 45 HB3 PRO 45 14.366 -5.688 -15.865 285 HG2 PRO 45 HG2 PRO 45 14.456 -3.617 -13.703 286 HG3 PRO 45 HG3 PRO 45 13.267 -3.818 -15.002 287 HD2 PRO 45 HD2 PRO 45 12.861 -4.738 -12.449 288 HD3 PRO 45 HD3 PRO 45 12.148 -5.484 -13.890 289 H ASP 46 H ASP 46 15.323 -4.718 -11.994 290 HA ASP 46 HA ASP 46 18.182 -4.394 -12.119 291 HB2 ASP 46 HB2 ASP 46 17.881 -2.805 -10.268 292 HB3 ASP 46 HB3 ASP 46 16.791 -2.468 -11.608 293 H CYS 47 H CYS 47 16.518 -6.867 -11.042 294 HA CYS 47 HA CYS 47 18.417 -7.408 -8.886 295 HB2 CYS 47 HB2 CYS 47 16.277 -6.723 -7.888 296 HB3 CYS 47 HB3 CYS 47 15.454 -7.981 -8.802 297 H HIS 48 H HIS 48 18.834 -9.624 -8.522 298 HA HIS 48 HA HIS 48 17.655 -11.580 -10.224 299 HB2 HIS 48 HB2 HIS 48 19.740 -12.314 -11.333 300 HB3 HIS 48 HB3 HIS 48 19.248 -10.711 -11.836 301 HD1 HIS 48 HD1 HIS 48 22.131 -12.566 -10.775 302 HD2 HIS 48 HD2 HIS 48 20.854 -8.630 -10.389 303 HE1 HIS 48 HE1 HIS 48 24.193 -11.234 -10.228 304 HE2 HIS 48 HE2 HIS 48 23.383 -8.863 -9.935 305 H CYS 49 H CYS 49 17.140 -12.110 -8.006 306 HA CYS 49 HA CYS 49 19.244 -13.297 -6.394 307 HB2 CYS 49 HB2 CYS 49 17.322 -13.779 -4.862 308 HB3 CYS 49 HB3 CYS 49 17.519 -12.069 -5.244 309 H GLU 50 H GLU 50 19.335 -15.539 -5.909 310 HA GLU 50 HA GLU 50 17.501 -17.455 -6.806 311 HB2 GLU 50 HB2 GLU 50 18.705 -16.398 -8.958 312 HB3 GLU 50 HB3 GLU 50 19.888 -17.640 -8.566 313 HG2 GLU 50 HG2 GLU 50 17.202 -18.659 -8.502 314 HG3 GLU 50 HG3 GLU 50 17.589 -17.930 -10.062 315 H ARG 51 H ARG 51 18.014 -19.453 -5.937 316 HA ARG 51 HA ARG 51 20.167 -19.478 -4.058 317 HB2 ARG 51 HB2 ARG 51 17.942 -21.350 -4.729 318 HB3 ARG 51 HB3 ARG 51 19.312 -21.972 -3.823 319 HG2 ARG 51 HG2 ARG 51 17.714 -19.566 -2.976 320 HG3 ARG 51 HG3 ARG 51 17.364 -21.212 -2.446 321 HD2 ARG 51 HD2 ARG 51 19.618 -21.374 -1.484 322 HD3 ARG 51 HD3 ARG 51 19.963 -19.727 -2.006 323 HE ARG 51 HE ARG 51 18.171 -20.544 0.157 324 HH11 ARG 51 HH11 ARG 51 19.660 -17.957 -1.689 325 HH12 ARG 51 HH12 ARG 51 19.294 -16.732 -0.523 326 HH21 ARG 51 HH21 ARG 51 17.716 -18.921 1.722 327 HH22 ARG 51 HH22 ARG 51 18.229 -17.294 1.434 328 H SER 52 H SER 52 22.138 -20.163 -4.311 329 HA SER 52 HA SER 52 22.938 -22.492 -5.615 330 HB2 SER 52 HB2 SER 52 22.419 -21.226 -7.688 331 HB3 SER 52 HB3 SER 52 23.542 -19.966 -7.188 332 HG SER 52 HG SER 52 24.379 -21.581 -8.684 Start of MODEL 19 1 HA ASN 1 HA ASN 1 5.974 -0.877 0.985 2 HB2 ASN 1 HB2 ASN 1 8.370 -0.767 1.246 3 HB3 ASN 1 HB3 ASN 1 8.226 -0.777 3.001 4 HD21 ASN 1 HD21 ASN 1 7.891 -2.702 4.068 5 HD22 ASN 1 HD22 ASN 1 7.984 -4.239 3.284 6 H GLU 2 H GLU 2 4.340 -2.109 1.551 7 HA GLU 2 HA GLU 2 3.750 -2.487 4.397 8 HB2 GLU 2 HB2 GLU 2 2.034 -2.970 1.963 9 HB3 GLU 2 HB3 GLU 2 1.536 -3.273 3.616 10 HG2 GLU 2 HG2 GLU 2 1.747 -0.901 4.123 11 HG3 GLU 2 HG3 GLU 2 2.267 -0.590 2.467 12 H LEU 3 H LEU 3 3.369 -4.408 1.438 13 HA LEU 3 HA LEU 3 3.959 -6.817 2.925 14 HB2 LEU 3 HB2 LEU 3 3.045 -6.308 0.102 15 HB3 LEU 3 HB3 LEU 3 3.549 -7.896 0.638 16 HG LEU 3 HG LEU 3 1.155 -7.779 0.662 17 HD11 LEU 3 HD11 LEU 3 2.204 -9.069 2.435 18 HD12 LEU 3 HD12 LEU 3 0.677 -8.365 2.967 19 HD13 LEU 3 HD13 LEU 3 2.202 -7.649 3.481 20 HD21 LEU 3 HD21 LEU 3 0.909 -5.347 0.851 21 HD22 LEU 3 HD22 LEU 3 1.400 -5.436 2.541 22 HD23 LEU 3 HD23 LEU 3 -0.099 -6.203 2.016 23 H ARG 4 H ARG 4 5.932 -7.408 3.216 24 HA ARG 4 HA ARG 4 8.034 -6.629 1.334 25 HB2 ARG 4 HB2 ARG 4 7.994 -6.422 3.989 26 HB3 ARG 4 HB3 ARG 4 8.560 -8.081 3.877 27 HG2 ARG 4 HG2 ARG 4 10.440 -7.317 2.489 28 HG3 ARG 4 HG3 ARG 4 9.888 -5.652 2.703 29 HD2 ARG 4 HD2 ARG 4 10.022 -6.077 5.191 30 HD3 ARG 4 HD3 ARG 4 10.875 -7.566 4.797 31 HE ARG 4 HE ARG 4 11.852 -4.834 4.479 32 HH11 ARG 4 HH11 ARG 4 12.413 -8.269 4.028 33 HH12 ARG 4 HH12 ARG 4 14.121 -8.111 3.856 34 HH21 ARG 4 HH21 ARG 4 14.163 -4.621 4.258 35 HH22 ARG 4 HH22 ARG 4 15.112 -6.037 3.982 36 H CYS 5 H CYS 5 9.203 -8.182 0.217 37 HA CYS 5 HA CYS 5 8.013 -10.666 -0.291 38 HB2 CYS 5 HB2 CYS 5 9.625 -9.412 -1.791 39 HB3 CYS 5 HB3 CYS 5 10.921 -10.011 -0.756 40 H GLY 6 H GLY 6 8.294 -12.670 0.528 41 HA2 GLY 6 HA2 GLY 6 9.518 -12.920 3.110 42 HA3 GLY 6 HA3 GLY 6 8.723 -14.203 2.211 43 H CYS 7 H CYS 7 10.876 -12.981 0.105 44 HA CYS 7 HA CYS 7 12.769 -15.108 0.564 45 HB2 CYS 7 HB2 CYS 7 11.889 -14.488 -1.704 46 HB3 CYS 7 HB3 CYS 7 12.730 -12.956 -1.570 47 HA PRO 8 HA PRO 8 15.127 -12.313 3.186 48 HB2 PRO 8 HB2 PRO 8 17.206 -14.004 3.683 49 HB3 PRO 8 HB3 PRO 8 15.640 -14.111 4.496 50 HG2 PRO 8 HG2 PRO 8 16.673 -15.681 2.168 51 HG3 PRO 8 HG3 PRO 8 15.786 -16.252 3.592 52 HD2 PRO 8 HD2 PRO 8 14.572 -15.868 1.226 53 HD3 PRO 8 HD3 PRO 8 13.747 -15.541 2.763 54 H ASP 9 H ASP 9 16.324 -13.799 0.289 55 HA ASP 9 HA ASP 9 18.668 -12.035 0.299 56 HB2 ASP 9 HB2 ASP 9 17.983 -14.402 -1.454 57 HB3 ASP 9 HB3 ASP 9 19.420 -13.407 -1.651 58 H CYS 10 H CYS 10 15.704 -11.488 -0.365 59 HA CYS 10 HA CYS 10 16.253 -9.963 -2.786 60 HB2 CYS 10 HB2 CYS 10 15.279 -11.862 -3.734 61 HB3 CYS 10 HB3 CYS 10 14.130 -12.042 -2.420 62 H HIS 11 H HIS 11 15.517 -7.928 -2.590 63 HA HIS 11 HA HIS 11 13.414 -7.427 -0.599 64 HB2 HIS 11 HB2 HIS 11 15.507 -6.325 0.025 65 HB3 HIS 11 HB3 HIS 11 15.578 -5.532 -1.543 66 HD2 HIS 11 HD2 HIS 11 14.337 -3.096 -1.628 67 HE1 HIS 11 HE1 HIS 11 12.180 -3.425 2.008 68 HE2 HIS 11 HE2 HIS 11 12.933 -1.879 0.174 69 H CYS 12 H CYS 12 11.579 -7.445 -1.739 70 HA CYS 12 HA CYS 12 11.310 -5.372 -3.769 71 HB2 CYS 12 HB2 CYS 12 10.438 -8.250 -4.108 72 HB3 CYS 12 HB3 CYS 12 9.881 -6.938 -5.138 73 H LYS 13 H LYS 13 9.501 -4.206 -3.592 74 HA LYS 13 HA LYS 13 7.742 -4.702 -1.361 75 HB2 LYS 13 HB2 LYS 13 8.534 -2.417 -1.953 76 HB3 LYS 13 HB3 LYS 13 7.646 -2.521 -3.462 77 HG2 LYS 13 HG2 LYS 13 6.078 -2.963 -0.991 78 HG3 LYS 13 HG3 LYS 13 6.690 -1.329 -1.258 79 HD2 LYS 13 HD2 LYS 13 5.629 -1.309 -3.467 80 HD3 LYS 13 HD3 LYS 13 5.024 -2.941 -3.191 81 HE2 LYS 13 HE2 LYS 13 3.676 -2.186 -1.351 82 HE3 LYS 13 HE3 LYS 13 4.353 -0.563 -1.466 83 HZ1 LYS 13 HZ1 LYS 13 2.168 -0.693 -2.492 84 HZ2 LYS 13 HZ2 LYS 13 2.686 -1.888 -3.562 85 HZ3 LYS 13 HZ3 LYS 13 3.343 -0.332 -3.643 86 H VAL 14 H VAL 14 5.979 -5.896 -1.466 87 HA VAL 14 HA VAL 14 4.935 -6.577 -4.118 88 HB VAL 14 HB VAL 14 4.103 -7.945 -1.581 89 HG11 VAL 14 HG11 VAL 14 2.805 -8.576 -3.435 90 HG12 VAL 14 HG12 VAL 14 3.986 -9.877 -3.237 91 HG13 VAL 14 HG13 VAL 14 4.213 -8.662 -4.490 92 HG21 VAL 14 HG21 VAL 14 5.919 -9.572 -1.891 93 HG22 VAL 14 HG22 VAL 14 6.543 -7.960 -1.535 94 HG23 VAL 14 HG23 VAL 14 6.581 -8.576 -3.187 95 H ASP 15 H ASP 15 2.685 -6.549 -4.514 96 HA ASP 15 HA ASP 15 1.280 -4.542 -2.928 97 HB2 ASP 15 HB2 ASP 15 0.985 -5.438 -5.783 98 HB3 ASP 15 HB3 ASP 15 -0.134 -4.348 -4.991 99 HA PRO 16 HA PRO 16 -1.296 -7.789 -1.362 100 HB2 PRO 16 HB2 PRO 16 -3.360 -6.201 -0.491 101 HB3 PRO 16 HB3 PRO 16 -1.852 -6.458 0.393 102 HG2 PRO 16 HG2 PRO 16 -2.655 -4.177 -1.364 103 HG3 PRO 16 HG3 PRO 16 -1.782 -4.154 0.180 104 HD2 PRO 16 HD2 PRO 16 -0.527 -3.871 -2.179 105 HD3 PRO 16 HD3 PRO 16 0.236 -4.704 -0.814 106 H GLU 17 H GLU 17 -2.235 -5.705 -3.949 107 HA GLU 17 HA GLU 17 -4.843 -6.798 -4.351 108 HB2 GLU 17 HB2 GLU 17 -2.995 -5.171 -6.074 109 HB3 GLU 17 HB3 GLU 17 -4.483 -5.840 -6.721 110 HG2 GLU 17 HG2 GLU 17 -5.735 -4.622 -4.970 111 HG3 GLU 17 HG3 GLU 17 -4.220 -3.881 -4.455 112 H ARG 18 H ARG 18 -1.616 -7.662 -5.326 113 HA ARG 18 HA ARG 18 -2.670 -10.025 -6.696 114 HB2 ARG 18 HB2 ARG 18 -0.713 -8.068 -7.894 115 HB3 ARG 18 HB3 ARG 18 -1.122 -9.633 -8.591 116 HG2 ARG 18 HG2 ARG 18 -3.402 -8.924 -8.940 117 HG3 ARG 18 HG3 ARG 18 -3.082 -7.402 -8.101 118 HD2 ARG 18 HD2 ARG 18 -1.527 -6.746 -9.807 119 HD3 ARG 18 HD3 ARG 18 -1.692 -8.301 -10.616 120 HE ARG 18 HE ARG 18 -4.202 -7.417 -10.642 121 HH11 ARG 18 HH11 ARG 18 -1.208 -5.769 -11.441 122 HH12 ARG 18 HH12 ARG 18 -1.928 -4.781 -12.663 123 HH21 ARG 18 HH21 ARG 18 -5.165 -6.095 -12.248 124 HH22 ARG 18 HH22 ARG 18 -4.193 -4.958 -13.113 125 H VAL 19 H VAL 19 -1.265 -9.554 -4.161 126 HA VAL 19 HA VAL 19 1.443 -10.376 -4.508 127 HB VAL 19 HB VAL 19 0.966 -9.110 -2.524 128 HG11 VAL 19 HG11 VAL 19 -1.384 -9.630 -2.260 129 HG12 VAL 19 HG12 VAL 19 -0.496 -9.927 -0.757 130 HG13 VAL 19 HG13 VAL 19 -0.972 -11.280 -1.781 131 HG21 VAL 19 HG21 VAL 19 1.799 -10.571 -0.763 132 HG22 VAL 19 HG22 VAL 19 2.678 -10.823 -2.270 133 HG23 VAL 19 HG23 VAL 19 1.451 -11.980 -1.760 134 H PHE 20 H PHE 20 2.244 -12.358 -4.743 135 HA PHE 20 HA PHE 20 0.480 -14.606 -4.681 136 HB2 PHE 20 HB2 PHE 20 2.527 -14.220 -6.245 137 HB3 PHE 20 HB3 PHE 20 3.470 -14.801 -4.876 138 HD1 PHE 20 HD1 PHE 20 1.230 -15.655 -7.528 139 HD2 PHE 20 HD2 PHE 20 3.150 -17.109 -4.041 140 HE1 PHE 20 HE1 PHE 20 0.714 -17.970 -8.221 141 HE2 PHE 20 HE2 PHE 20 2.652 -19.424 -4.710 142 HZ PHE 20 HZ PHE 20 1.428 -19.857 -6.805 143 H ASN 21 H ASN 21 -0.115 -15.345 -2.772 144 HA ASN 21 HA ASN 21 1.802 -15.290 -0.576 145 HB2 ASN 21 HB2 ASN 21 -1.179 -15.765 -0.607 146 HB3 ASN 21 HB3 ASN 21 -0.184 -15.964 0.830 147 HD21 ASN 21 HD21 ASN 21 0.793 -14.126 1.750 148 HD22 ASN 21 HD22 ASN 21 0.183 -12.541 1.442 149 H HIS 22 H HIS 22 2.875 -16.983 -0.041 150 HA HIS 22 HA HIS 22 1.783 -19.648 -0.640 151 HB2 HIS 22 HB2 HIS 22 3.518 -18.969 -2.312 152 HB3 HIS 22 HB3 HIS 22 4.675 -18.848 -0.993 153 HD2 HIS 22 HD2 HIS 22 5.073 -21.438 0.331 154 HE1 HIS 22 HE1 HIS 22 4.117 -23.562 -3.212 155 HE2 HIS 22 HE2 HIS 22 5.375 -23.623 -1.034 156 H ASP 23 H ASP 23 1.549 -20.709 1.153 157 HA ASP 23 HA ASP 23 1.820 -21.541 3.230 158 HB2 ASP 23 HB2 ASP 23 4.196 -21.928 2.317 159 HB3 ASP 23 HB3 ASP 23 4.658 -20.505 3.242 160 H GLY 24 H GLY 24 1.194 -18.661 2.629 161 HA2 GLY 24 HA2 GLY 24 0.157 -17.203 4.173 162 HA3 GLY 24 HA3 GLY 24 1.226 -17.806 5.425 163 H GLU 25 H GLU 25 3.236 -17.249 2.887 164 HA GLU 25 HA GLU 25 3.883 -14.596 3.955 165 HB2 GLU 25 HB2 GLU 25 5.505 -16.702 2.597 166 HB3 GLU 25 HB3 GLU 25 6.042 -15.030 2.561 167 HG2 GLU 25 HG2 GLU 25 7.111 -16.239 4.336 168 HG3 GLU 25 HG3 GLU 25 6.054 -14.989 4.986 169 H ALA 26 H ALA 26 4.648 -12.962 2.535 170 HA ALA 26 HA ALA 26 3.144 -12.922 0.014 171 HB1 ALA 26 HB1 ALA 26 2.465 -11.189 1.496 172 HB2 ALA 26 HB2 ALA 26 3.457 -10.429 0.249 173 HB3 ALA 26 HB3 ALA 26 4.134 -10.749 1.845 174 H TYR 27 H TYR 27 4.350 -13.215 -1.790 175 HA TYR 27 HA TYR 27 7.102 -12.164 -1.779 176 HB2 TYR 27 HB2 TYR 27 6.112 -14.578 -3.293 177 HB3 TYR 27 HB3 TYR 27 7.763 -13.985 -3.217 178 HD1 TYR 27 HD1 TYR 27 5.077 -15.624 -1.283 179 HD2 TYR 27 HD2 TYR 27 9.205 -14.601 -1.408 180 HE1 TYR 27 HE1 TYR 27 5.505 -17.162 0.569 181 HE2 TYR 27 HE2 TYR 27 9.642 -16.138 0.462 182 HH TYR 27 HH TYR 27 7.371 -18.434 1.511 183 H CYS 28 H CYS 28 7.864 -11.369 -3.853 184 HA CYS 28 HA CYS 28 5.836 -10.002 -5.306 185 HB2 CYS 28 HB2 CYS 28 7.740 -9.204 -6.713 186 HB3 CYS 28 HB3 CYS 28 7.953 -8.912 -4.992 187 H SER 29 H SER 29 7.495 -13.001 -5.735 188 HA SER 29 HA SER 29 5.900 -13.494 -8.129 189 HB2 SER 29 HB2 SER 29 7.979 -12.908 -9.125 190 HB3 SER 29 HB3 SER 29 8.900 -13.827 -7.935 191 HG SER 29 HG SER 29 7.530 -14.675 -10.208 192 H GLN 30 H GLN 30 5.469 -15.697 -8.527 193 HA GLN 30 HA GLN 30 5.228 -17.321 -6.254 194 HB2 GLN 30 HB2 GLN 30 4.769 -19.178 -8.024 195 HB3 GLN 30 HB3 GLN 30 3.646 -17.837 -7.877 196 HG2 GLN 30 HG2 GLN 30 3.892 -18.095 -10.162 197 HG3 GLN 30 HG3 GLN 30 4.988 -16.773 -9.788 198 HE21 GLN 30 HE21 GLN 30 6.405 -16.994 -11.382 199 HE22 GLN 30 HE22 GLN 30 7.386 -18.392 -11.647 200 H ALA 31 H ALA 31 7.833 -16.824 -8.424 201 HA ALA 31 HA ALA 31 9.236 -19.246 -8.026 202 HB1 ALA 31 HB1 ALA 31 10.202 -16.485 -8.776 203 HB2 ALA 31 HB2 ALA 31 9.826 -17.834 -9.856 204 HB3 ALA 31 HB3 ALA 31 11.209 -17.939 -8.768 205 H CYS 32 H CYS 32 9.516 -16.048 -6.454 206 HA CYS 32 HA CYS 32 11.372 -16.870 -4.485 207 HB2 CYS 32 HB2 CYS 32 9.373 -14.593 -4.527 208 HB3 CYS 32 HB3 CYS 32 10.521 -14.834 -3.218 209 H ALA 33 H ALA 33 7.847 -16.706 -4.591 210 HA ALA 33 HA ALA 33 7.234 -17.412 -1.989 211 HB1 ALA 33 HB1 ALA 33 5.708 -18.261 -4.442 212 HB2 ALA 33 HB2 ALA 33 5.634 -16.649 -3.727 213 HB3 ALA 33 HB3 ALA 33 5.085 -18.047 -2.806 214 H GLU 34 H GLU 34 8.121 -19.436 -4.686 215 HA GLU 34 HA GLU 34 7.649 -21.820 -3.123 216 HB2 GLU 34 HB2 GLU 34 8.224 -21.245 -5.969 217 HB3 GLU 34 HB3 GLU 34 8.469 -22.871 -5.355 218 HG2 GLU 34 HG2 GLU 34 6.142 -22.852 -4.530 219 HG3 GLU 34 HG3 GLU 34 5.936 -21.265 -5.272 220 H GLN 35 H GLN 35 9.967 -19.737 -2.928 221 HA GLN 35 HA GLN 35 12.064 -19.791 -2.095 222 HB2 GLN 35 HB2 GLN 35 11.522 -22.727 -1.683 223 HB3 GLN 35 HB3 GLN 35 12.707 -21.743 -0.829 224 HG2 GLN 35 HG2 GLN 35 11.026 -20.512 0.284 225 HG3 GLN 35 HG3 GLN 35 9.767 -21.152 -0.763 226 HE21 GLN 35 HE21 GLN 35 8.991 -23.211 -0.425 227 HE22 GLN 35 HE22 GLN 35 9.299 -24.092 1.026 228 H HIS 36 H HIS 36 11.571 -20.390 -4.948 229 HA HIS 36 HA HIS 36 12.730 -20.878 -6.841 230 HB2 HIS 36 HB2 HIS 36 15.157 -20.788 -5.021 231 HB3 HIS 36 HB3 HIS 36 15.187 -20.705 -6.776 232 HD1 HIS 36 HD1 HIS 36 15.496 -18.403 -7.583 233 HD2 HIS 36 HD2 HIS 36 13.414 -18.514 -3.983 234 HE1 HIS 36 HE1 HIS 36 14.926 -16.006 -7.058 235 HA PRO 37 HA PRO 37 12.730 -25.427 -5.677 236 HB2 PRO 37 HB2 PRO 37 11.332 -26.085 -7.984 237 HB3 PRO 37 HB3 PRO 37 10.595 -25.790 -6.406 238 HG2 PRO 37 HG2 PRO 37 10.929 -23.925 -8.719 239 HG3 PRO 37 HG3 PRO 37 9.515 -24.149 -7.661 240 HD2 PRO 37 HD2 PRO 37 11.133 -22.072 -7.335 241 HD3 PRO 37 HD3 PRO 37 10.498 -22.938 -5.920 242 H ASN 38 H ASN 38 12.850 -24.339 -9.106 243 HA ASN 38 HA ASN 38 15.172 -26.077 -9.400 244 HB2 ASN 38 HB2 ASN 38 13.025 -25.287 -11.253 245 HB3 ASN 38 HB3 ASN 38 14.622 -25.530 -11.949 246 HD21 ASN 38 HD21 ASN 38 12.314 -27.014 -9.790 247 HD22 ASN 38 HD22 ASN 38 12.651 -28.645 -10.238 248 H GLY 39 H GLY 39 14.622 -22.932 -8.825 249 HA2 GLY 39 HA2 GLY 39 16.399 -21.351 -8.754 250 HA3 GLY 39 HA3 GLY 39 17.118 -22.154 -10.143 251 H GLU 40 H GLU 40 14.143 -20.415 -9.253 252 HA GLU 40 HA GLU 40 14.122 -19.268 -11.959 253 HB2 GLU 40 HB2 GLU 40 11.763 -19.355 -10.094 254 HB3 GLU 40 HB3 GLU 40 11.768 -19.062 -11.826 255 HG2 GLU 40 HG2 GLU 40 12.169 -21.635 -10.358 256 HG3 GLU 40 HG3 GLU 40 10.935 -21.222 -11.550 257 HA PRO 41 HA PRO 41 14.953 -15.419 -9.787 258 HB2 PRO 41 HB2 PRO 41 15.192 -13.868 -11.984 259 HB3 PRO 41 HB3 PRO 41 16.465 -14.989 -11.490 260 HG2 PRO 41 HG2 PRO 41 14.377 -15.309 -13.605 261 HG3 PRO 41 HG3 PRO 41 16.092 -15.751 -13.649 262 HD2 PRO 41 HD2 PRO 41 14.076 -17.537 -13.187 263 HD3 PRO 41 HD3 PRO 41 15.727 -17.742 -12.568 264 H CYS 42 H CYS 42 13.852 -13.365 -9.508 265 HA CYS 42 HA CYS 42 11.033 -13.550 -10.176 266 HB2 CYS 42 HB2 CYS 42 10.676 -11.925 -8.431 267 HB3 CYS 42 HB3 CYS 42 11.846 -13.099 -7.831 268 HA PRO 43 HA PRO 43 11.223 -10.491 -13.404 269 HB2 PRO 43 HB2 PRO 43 8.868 -9.176 -13.161 270 HB3 PRO 43 HB3 PRO 43 8.974 -10.847 -13.729 271 HG2 PRO 43 HG2 PRO 43 8.334 -9.824 -10.983 272 HG3 PRO 43 HG3 PRO 43 7.513 -11.086 -11.923 273 HD2 PRO 43 HD2 PRO 43 9.289 -11.687 -9.984 274 HD3 PRO 43 HD3 PRO 43 9.137 -12.670 -11.450 275 H HIS 44 H HIS 44 12.675 -9.606 -11.124 276 HA HIS 44 HA HIS 44 12.294 -6.715 -11.413 277 HB2 HIS 44 HB2 HIS 44 12.714 -8.236 -8.844 278 HB3 HIS 44 HB3 HIS 44 13.034 -6.508 -8.981 279 HD2 HIS 44 HD2 HIS 44 10.698 -4.927 -9.427 280 HE1 HIS 44 HE1 HIS 44 8.005 -7.986 -8.275 281 HE2 HIS 44 HE2 HIS 44 8.238 -5.608 -9.046 282 HA PRO 45 HA PRO 45 16.565 -7.532 -12.532 283 HB2 PRO 45 HB2 PRO 45 16.994 -5.320 -13.957 284 HB3 PRO 45 HB3 PRO 45 15.942 -6.606 -14.562 285 HG2 PRO 45 HG2 PRO 45 15.193 -4.023 -13.238 286 HG3 PRO 45 HG3 PRO 45 14.494 -4.778 -14.682 287 HD2 PRO 45 HD2 PRO 45 13.387 -4.965 -12.182 288 HD3 PRO 45 HD3 PRO 45 13.173 -6.189 -13.447 289 H ASP 46 H ASP 46 15.582 -5.869 -10.029 290 HA ASP 46 HA ASP 46 17.790 -3.986 -9.810 291 HB2 ASP 46 HB2 ASP 46 15.670 -3.198 -8.987 292 HB3 ASP 46 HB3 ASP 46 15.505 -4.597 -7.934 293 H CYS 47 H CYS 47 16.769 -7.054 -8.423 294 HA CYS 47 HA CYS 47 19.297 -7.126 -6.920 295 HB2 CYS 47 HB2 CYS 47 18.241 -8.705 -5.416 296 HB3 CYS 47 HB3 CYS 47 17.278 -7.237 -5.518 297 H HIS 48 H HIS 48 19.535 -9.741 -6.383 298 HA HIS 48 HA HIS 48 19.262 -11.288 -8.812 299 HB2 HIS 48 HB2 HIS 48 21.400 -9.880 -8.948 300 HB3 HIS 48 HB3 HIS 48 22.008 -10.870 -7.632 301 HD1 HIS 48 HD1 HIS 48 23.264 -12.872 -8.328 302 HD2 HIS 48 HD2 HIS 48 20.687 -11.550 -11.306 303 HE1 HIS 48 HE1 HIS 48 23.747 -14.309 -10.327 304 HE2 HIS 48 HE2 HIS 48 22.255 -13.425 -12.155 305 H CYS 49 H CYS 49 17.862 -12.007 -6.756 306 HA CYS 49 HA CYS 49 19.265 -13.476 -4.744 307 HB2 CYS 49 HB2 CYS 49 16.973 -14.369 -4.167 308 HB3 CYS 49 HB3 CYS 49 17.127 -12.619 -4.138 309 H GLU 50 H GLU 50 18.283 -14.149 -7.907 310 HA GLU 50 HA GLU 50 18.820 -17.016 -7.557 311 HB2 GLU 50 HB2 GLU 50 16.612 -16.458 -8.503 312 HB3 GLU 50 HB3 GLU 50 17.387 -15.544 -9.785 313 HG2 GLU 50 HG2 GLU 50 16.568 -17.740 -10.494 314 HG3 GLU 50 HG3 GLU 50 18.315 -17.572 -10.721 315 H ARG 51 H ARG 51 20.467 -17.949 -8.905 316 HA ARG 51 HA ARG 51 22.450 -16.053 -9.728 317 HB2 ARG 51 HB2 ARG 51 22.429 -19.041 -9.408 318 HB3 ARG 51 HB3 ARG 51 23.745 -18.219 -10.228 319 HG2 ARG 51 HG2 ARG 51 22.878 -17.570 -7.424 320 HG3 ARG 51 HG3 ARG 51 24.137 -18.742 -7.812 321 HD2 ARG 51 HD2 ARG 51 25.408 -16.972 -8.963 322 HD3 ARG 51 HD3 ARG 51 24.156 -15.807 -8.539 323 HE ARG 51 HE ARG 51 24.875 -16.894 -6.150 324 HH11 ARG 51 HH11 ARG 51 26.655 -15.280 -8.715 325 HH12 ARG 51 HH12 ARG 51 27.873 -14.667 -7.659 326 HH21 ARG 51 HH21 ARG 51 26.505 -16.093 -4.747 327 HH22 ARG 51 HH22 ARG 51 27.781 -15.114 -5.388 328 H SER 52 H SER 52 23.452 -16.150 -11.732 329 HA SER 52 HA SER 52 21.507 -16.378 -13.791 330 HB2 SER 52 HB2 SER 52 24.316 -15.431 -13.653 331 HB3 SER 52 HB3 SER 52 23.374 -15.390 -15.154 332 HG SER 52 HG SER 52 22.792 -13.491 -14.393 Start of MODEL 20 1 HA ASN 1 HA ASN 1 8.259 -0.004 3.225 2 HB2 ASN 1 HB2 ASN 1 8.260 1.389 1.229 3 HB3 ASN 1 HB3 ASN 1 6.714 0.717 0.723 4 HD21 ASN 1 HD21 ASN 1 8.332 2.879 2.878 5 HD22 ASN 1 HD22 ASN 1 6.916 3.672 3.480 6 H GLU 2 H GLU 2 5.792 -1.556 1.235 7 HA GLU 2 HA GLU 2 3.949 -1.524 3.503 8 HB2 GLU 2 HB2 GLU 2 3.486 -1.074 0.832 9 HB3 GLU 2 HB3 GLU 2 3.026 -2.761 0.993 10 HG2 GLU 2 HG2 GLU 2 1.071 -1.449 1.292 11 HG3 GLU 2 HG3 GLU 2 1.519 -2.095 2.869 12 H LEU 3 H LEU 3 4.273 -3.980 0.976 13 HA LEU 3 HA LEU 3 4.641 -5.994 3.079 14 HB2 LEU 3 HB2 LEU 3 3.672 -6.286 0.236 15 HB3 LEU 3 HB3 LEU 3 3.961 -7.633 1.320 16 HG LEU 3 HG LEU 3 1.902 -5.463 1.735 17 HD11 LEU 3 HD11 LEU 3 1.324 -6.942 -0.106 18 HD12 LEU 3 HD12 LEU 3 0.281 -7.239 1.285 19 HD13 LEU 3 HD13 LEU 3 1.601 -8.350 0.921 20 HD21 LEU 3 HD21 LEU 3 2.741 -6.309 3.850 21 HD22 LEU 3 HD22 LEU 3 2.501 -7.969 3.306 22 HD23 LEU 3 HD23 LEU 3 1.111 -6.916 3.560 23 H ARG 4 H ARG 4 6.466 -7.151 3.188 24 HA ARG 4 HA ARG 4 8.522 -6.614 1.168 25 HB2 ARG 4 HB2 ARG 4 8.573 -6.820 3.997 26 HB3 ARG 4 HB3 ARG 4 9.511 -8.162 3.359 27 HG2 ARG 4 HG2 ARG 4 11.010 -6.376 3.715 28 HG3 ARG 4 HG3 ARG 4 10.761 -6.490 1.972 29 HD2 ARG 4 HD2 ARG 4 9.032 -4.703 2.187 30 HD3 ARG 4 HD3 ARG 4 9.513 -4.523 3.872 31 HE ARG 4 HE ARG 4 11.579 -4.255 1.827 32 HH11 ARG 4 HH11 ARG 4 9.487 -2.694 4.177 33 HH12 ARG 4 HH12 ARG 4 10.361 -1.200 4.137 34 HH21 ARG 4 HH21 ARG 4 12.716 -2.273 1.779 35 HH22 ARG 4 HH22 ARG 4 12.192 -0.955 2.769 36 H CYS 5 H CYS 5 9.514 -8.238 0.036 37 HA CYS 5 HA CYS 5 8.041 -10.612 -0.392 38 HB2 CYS 5 HB2 CYS 5 9.497 -9.467 -2.096 39 HB3 CYS 5 HB3 CYS 5 10.898 -10.054 -1.203 40 H GLY 6 H GLY 6 8.328 -12.651 0.354 41 HA2 GLY 6 HA2 GLY 6 9.618 -13.063 2.831 42 HA3 GLY 6 HA3 GLY 6 8.952 -14.323 1.806 43 H CYS 7 H CYS 7 10.889 -13.185 -0.358 44 HA CYS 7 HA CYS 7 12.989 -15.040 0.166 45 HB2 CYS 7 HB2 CYS 7 12.005 -14.579 -2.094 46 HB3 CYS 7 HB3 CYS 7 12.699 -12.973 -2.033 47 HA PRO 8 HA PRO 8 15.095 -12.059 2.743 48 HB2 PRO 8 HB2 PRO 8 17.413 -13.485 3.065 49 HB3 PRO 8 HB3 PRO 8 15.923 -13.779 3.971 50 HG2 PRO 8 HG2 PRO 8 16.980 -15.195 1.560 51 HG3 PRO 8 HG3 PRO 8 16.234 -15.873 3.018 52 HD2 PRO 8 HD2 PRO 8 14.865 -15.605 0.733 53 HD3 PRO 8 HD3 PRO 8 14.091 -15.359 2.311 54 H ASP 9 H ASP 9 16.606 -13.357 -0.160 55 HA ASP 9 HA ASP 9 18.659 -11.263 -0.089 56 HB2 ASP 9 HB2 ASP 9 19.353 -13.515 -0.797 57 HB3 ASP 9 HB3 ASP 9 18.193 -13.456 -2.114 58 H CYS 10 H CYS 10 15.707 -12.014 -1.644 59 HA CYS 10 HA CYS 10 16.043 -10.051 -3.716 60 HB2 CYS 10 HB2 CYS 10 14.880 -11.943 -4.407 61 HB3 CYS 10 HB3 CYS 10 13.912 -11.986 -2.942 62 H HIS 11 H HIS 11 15.389 -8.008 -3.618 63 HA HIS 11 HA HIS 11 13.680 -7.234 -1.368 64 HB2 HIS 11 HB2 HIS 11 15.841 -5.653 -2.751 65 HB3 HIS 11 HB3 HIS 11 14.708 -4.954 -1.599 66 HD2 HIS 11 HD2 HIS 11 17.840 -7.283 -1.637 67 HE1 HIS 11 HE1 HIS 11 16.815 -6.493 2.399 68 HE2 HIS 11 HE2 HIS 11 18.574 -7.380 0.844 69 H CYS 12 H CYS 12 11.686 -7.206 -2.176 70 HA CYS 12 HA CYS 12 11.111 -5.302 -4.305 71 HB2 CYS 12 HB2 CYS 12 10.228 -8.204 -4.337 72 HB3 CYS 12 HB3 CYS 12 9.507 -6.960 -5.346 73 H LYS 13 H LYS 13 9.303 -4.142 -3.902 74 HA LYS 13 HA LYS 13 7.871 -4.634 -1.430 75 HB2 LYS 13 HB2 LYS 13 8.636 -2.339 -2.567 76 HB3 LYS 13 HB3 LYS 13 7.075 -2.478 -3.352 77 HG2 LYS 13 HG2 LYS 13 7.447 -2.533 -0.358 78 HG3 LYS 13 HG3 LYS 13 7.121 -1.068 -1.273 79 HD2 LYS 13 HD2 LYS 13 5.326 -3.499 -1.170 80 HD3 LYS 13 HD3 LYS 13 5.090 -2.024 -0.235 81 HE2 LYS 13 HE2 LYS 13 5.084 -2.229 -3.252 82 HE3 LYS 13 HE3 LYS 13 3.662 -2.068 -2.226 83 HZ1 LYS 13 HZ1 LYS 13 5.846 -0.065 -2.417 84 HZ2 LYS 13 HZ2 LYS 13 4.417 0.102 -1.536 85 HZ3 LYS 13 HZ3 LYS 13 4.372 0.042 -3.220 86 H VAL 14 H VAL 14 6.134 -5.896 -1.373 87 HA VAL 14 HA VAL 14 4.880 -6.685 -3.881 88 HB VAL 14 HB VAL 14 4.164 -7.766 -1.163 89 HG11 VAL 14 HG11 VAL 14 4.050 -8.889 -3.949 90 HG12 VAL 14 HG12 VAL 14 2.690 -8.421 -2.926 91 HG13 VAL 14 HG13 VAL 14 3.699 -9.798 -2.482 92 HG21 VAL 14 HG21 VAL 14 6.591 -7.905 -1.339 93 HG22 VAL 14 HG22 VAL 14 6.447 -8.669 -2.921 94 HG23 VAL 14 HG23 VAL 14 5.868 -9.507 -1.482 95 H ASP 15 H ASP 15 2.610 -6.646 -4.224 96 HA ASP 15 HA ASP 15 1.265 -4.406 -2.893 97 HB2 ASP 15 HB2 ASP 15 1.438 -4.759 -5.508 98 HB3 ASP 15 HB3 ASP 15 0.153 -5.907 -5.179 99 HA PRO 16 HA PRO 16 -1.301 -7.233 -0.628 100 HB2 PRO 16 HB2 PRO 16 -3.293 -5.455 -0.032 101 HB3 PRO 16 HB3 PRO 16 -1.747 -5.524 0.823 102 HG2 PRO 16 HG2 PRO 16 -2.603 -3.713 -1.398 103 HG3 PRO 16 HG3 PRO 16 -1.707 -3.315 0.084 104 HD2 PRO 16 HD2 PRO 16 -0.505 -3.610 -2.292 105 HD3 PRO 16 HD3 PRO 16 0.295 -4.119 -0.802 106 H GLU 17 H GLU 17 -2.567 -5.334 -3.389 107 HA GLU 17 HA GLU 17 -5.068 -6.731 -3.475 108 HB2 GLU 17 HB2 GLU 17 -3.641 -5.116 -5.594 109 HB3 GLU 17 HB3 GLU 17 -5.221 -5.833 -5.832 110 HG2 GLU 17 HG2 GLU 17 -6.013 -4.450 -3.878 111 HG3 GLU 17 HG3 GLU 17 -4.458 -3.620 -3.944 112 H ARG 18 H ARG 18 -1.890 -7.213 -4.916 113 HA ARG 18 HA ARG 18 -2.827 -9.794 -5.927 114 HB2 ARG 18 HB2 ARG 18 -1.103 -7.954 -7.605 115 HB3 ARG 18 HB3 ARG 18 -1.797 -9.493 -8.086 116 HG2 ARG 18 HG2 ARG 18 -3.412 -7.033 -7.421 117 HG3 ARG 18 HG3 ARG 18 -2.944 -7.507 -9.054 118 HD2 ARG 18 HD2 ARG 18 -4.293 -9.466 -8.968 119 HD3 ARG 18 HD3 ARG 18 -4.500 -9.325 -7.226 120 HE ARG 18 HE ARG 18 -5.574 -7.026 -8.313 121 HH11 ARG 18 HH11 ARG 18 -6.148 -10.457 -8.633 122 HH12 ARG 18 HH12 ARG 18 -7.856 -10.297 -8.828 123 HH21 ARG 18 HH21 ARG 18 -7.852 -6.786 -8.570 124 HH22 ARG 18 HH22 ARG 18 -8.834 -8.192 -8.778 125 H VAL 19 H VAL 19 -1.710 -10.534 -4.066 126 HA VAL 19 HA VAL 19 1.214 -10.664 -4.425 127 HB VAL 19 HB VAL 19 0.875 -9.445 -2.395 128 HG11 VAL 19 HG11 VAL 19 -1.455 -9.897 -1.983 129 HG12 VAL 19 HG12 VAL 19 -0.502 -10.292 -0.545 130 HG13 VAL 19 HG13 VAL 19 -1.087 -11.581 -1.597 131 HG21 VAL 19 HG21 VAL 19 1.317 -12.310 -1.585 132 HG22 VAL 19 HG22 VAL 19 1.846 -10.869 -0.717 133 HG23 VAL 19 HG23 VAL 19 2.547 -11.265 -2.288 134 H PHE 20 H PHE 20 2.203 -12.651 -4.270 135 HA PHE 20 HA PHE 20 0.401 -14.934 -4.354 136 HB2 PHE 20 HB2 PHE 20 3.383 -14.796 -4.850 137 HB3 PHE 20 HB3 PHE 20 2.373 -16.220 -5.072 138 HD1 PHE 20 HD1 PHE 20 3.135 -12.893 -6.290 139 HD2 PHE 20 HD2 PHE 20 1.038 -16.488 -7.030 140 HE1 PHE 20 HE1 PHE 20 2.714 -12.149 -8.616 141 HE2 PHE 20 HE2 PHE 20 0.599 -15.779 -9.346 142 HZ PHE 20 HZ PHE 20 1.439 -13.603 -10.143 143 H ASN 21 H ASN 21 -0.116 -15.656 -2.470 144 HA ASN 21 HA ASN 21 1.829 -15.610 -0.299 145 HB2 ASN 21 HB2 ASN 21 -1.151 -16.092 -0.296 146 HB3 ASN 21 HB3 ASN 21 -0.139 -16.315 1.127 147 HD21 ASN 21 HD21 ASN 21 0.836 -14.505 2.077 148 HD22 ASN 21 HD22 ASN 21 0.248 -12.906 1.787 149 H HIS 22 H HIS 22 3.062 -17.267 -0.108 150 HA HIS 22 HA HIS 22 1.922 -19.949 -0.523 151 HB2 HIS 22 HB2 HIS 22 3.461 -19.256 -2.358 152 HB3 HIS 22 HB3 HIS 22 4.747 -19.099 -1.166 153 HD2 HIS 22 HD2 HIS 22 5.309 -21.687 0.136 154 HE1 HIS 22 HE1 HIS 22 4.106 -23.830 -3.316 155 HE2 HIS 22 HE2 HIS 22 5.248 -23.969 -1.077 156 H ASP 23 H ASP 23 1.961 -21.108 1.215 157 HA ASP 23 HA ASP 23 2.448 -21.960 3.247 158 HB2 ASP 23 HB2 ASP 23 4.707 -22.275 2.122 159 HB3 ASP 23 HB3 ASP 23 5.225 -20.804 2.936 160 H GLY 24 H GLY 24 1.652 -19.075 2.813 161 HA2 GLY 24 HA2 GLY 24 0.750 -17.705 4.505 162 HA3 GLY 24 HA3 GLY 24 1.965 -18.309 5.614 163 H GLU 25 H GLU 25 3.682 -17.607 2.892 164 HA GLU 25 HA GLU 25 4.343 -14.957 3.972 165 HB2 GLU 25 HB2 GLU 25 5.907 -17.006 2.482 166 HB3 GLU 25 HB3 GLU 25 6.366 -15.319 2.323 167 HG2 GLU 25 HG2 GLU 25 7.686 -16.354 4.023 168 HG3 GLU 25 HG3 GLU 25 6.598 -15.177 4.755 169 H ALA 26 H ALA 26 4.777 -13.203 2.596 170 HA ALA 26 HA ALA 26 3.134 -13.197 0.160 171 HB1 ALA 26 HB1 ALA 26 4.153 -11.020 1.978 172 HB2 ALA 26 HB2 ALA 26 2.478 -11.523 1.725 173 HB3 ALA 26 HB3 ALA 26 3.358 -10.699 0.440 174 H TYR 27 H TYR 27 4.301 -13.583 -1.658 175 HA TYR 27 HA TYR 27 6.990 -12.407 -1.807 176 HB2 TYR 27 HB2 TYR 27 5.863 -14.738 -3.360 177 HB3 TYR 27 HB3 TYR 27 7.505 -14.118 -3.464 178 HD1 TYR 27 HD1 TYR 27 5.133 -16.038 -1.429 179 HD2 TYR 27 HD2 TYR 27 9.131 -14.619 -1.730 180 HE1 TYR 27 HE1 TYR 27 5.816 -17.623 0.310 181 HE2 TYR 27 HE2 TYR 27 9.827 -16.203 0.017 182 HH TYR 27 HH TYR 27 8.778 -17.451 1.905 183 H CYS 28 H CYS 28 7.623 -11.465 -3.833 184 HA CYS 28 HA CYS 28 5.558 -9.910 -5.034 185 HB2 CYS 28 HB2 CYS 28 7.349 -9.008 -6.431 186 HB3 CYS 28 HB3 CYS 28 7.858 -9.076 -4.747 187 H SER 29 H SER 29 7.217 -12.842 -5.829 188 HA SER 29 HA SER 29 5.535 -13.145 -8.202 189 HB2 SER 29 HB2 SER 29 7.439 -14.119 -9.404 190 HB3 SER 29 HB3 SER 29 7.806 -12.465 -8.905 191 HG SER 29 HG SER 29 9.260 -13.181 -7.509 192 H GLN 30 H GLN 30 5.384 -15.440 -8.857 193 HA GLN 30 HA GLN 30 4.972 -17.061 -6.561 194 HB2 GLN 30 HB2 GLN 30 4.249 -18.810 -8.180 195 HB3 GLN 30 HB3 GLN 30 3.432 -17.275 -8.410 196 HG2 GLN 30 HG2 GLN 30 3.887 -17.908 -10.571 197 HG3 GLN 30 HG3 GLN 30 5.256 -16.863 -10.208 198 HE21 GLN 30 HE21 GLN 30 6.669 -17.759 -11.611 199 HE22 GLN 30 HE22 GLN 30 7.280 -19.368 -11.469 200 H ALA 31 H ALA 31 7.592 -16.585 -8.750 201 HA ALA 31 HA ALA 31 8.896 -19.078 -8.504 202 HB1 ALA 31 HB1 ALA 31 10.111 -16.367 -9.045 203 HB2 ALA 31 HB2 ALA 31 9.467 -17.475 -10.259 204 HB3 ALA 31 HB3 ALA 31 10.889 -17.925 -9.322 205 H CYS 32 H CYS 32 9.278 -16.026 -6.701 206 HA CYS 32 HA CYS 32 11.208 -17.021 -4.894 207 HB2 CYS 32 HB2 CYS 32 9.223 -14.752 -4.615 208 HB3 CYS 32 HB3 CYS 32 10.500 -15.084 -3.452 209 H ALA 33 H ALA 33 7.675 -16.926 -4.851 210 HA ALA 33 HA ALA 33 7.216 -17.905 -2.285 211 HB1 ALA 33 HB1 ALA 33 5.562 -18.408 -4.756 212 HB2 ALA 33 HB2 ALA 33 5.496 -16.949 -3.765 213 HB3 ALA 33 HB3 ALA 33 5.020 -18.498 -3.080 214 H GLU 34 H GLU 34 7.993 -19.571 -5.251 215 HA GLU 34 HA GLU 34 7.531 -22.198 -4.189 216 HB2 GLU 34 HB2 GLU 34 8.815 -21.186 -6.724 217 HB3 GLU 34 HB3 GLU 34 8.669 -22.891 -6.336 218 HG2 GLU 34 HG2 GLU 34 6.219 -21.231 -6.286 219 HG3 GLU 34 HG3 GLU 34 6.920 -21.657 -7.846 220 H GLN 35 H GLN 35 9.884 -19.974 -3.618 221 HA GLN 35 HA GLN 35 11.969 -19.976 -2.750 222 HB2 GLN 35 HB2 GLN 35 11.551 -22.932 -2.263 223 HB3 GLN 35 HB3 GLN 35 12.736 -21.901 -1.476 224 HG2 GLN 35 HG2 GLN 35 10.744 -20.559 -0.620 225 HG3 GLN 35 HG3 GLN 35 9.760 -21.918 -1.143 226 HE21 GLN 35 HE21 GLN 35 9.981 -23.906 -0.090 227 HE22 GLN 35 HE22 GLN 35 10.713 -24.041 1.471 228 H HIS 36 H HIS 36 11.485 -20.531 -5.541 229 HA HIS 36 HA HIS 36 12.583 -21.000 -7.472 230 HB2 HIS 36 HB2 HIS 36 15.098 -20.936 -5.804 231 HB3 HIS 36 HB3 HIS 36 14.967 -20.682 -7.542 232 HD1 HIS 36 HD1 HIS 36 14.297 -18.355 -8.338 233 HD2 HIS 36 HD2 HIS 36 14.165 -18.812 -4.225 234 HE1 HIS 36 HE1 HIS 36 14.047 -16.055 -7.417 235 HA PRO 37 HA PRO 37 13.115 -25.494 -6.438 236 HB2 PRO 37 HB2 PRO 37 11.005 -26.429 -7.777 237 HB3 PRO 37 HB3 PRO 37 10.789 -25.682 -6.186 238 HG2 PRO 37 HG2 PRO 37 10.450 -24.456 -8.909 239 HG3 PRO 37 HG3 PRO 37 9.315 -24.430 -7.532 240 HD2 PRO 37 HD2 PRO 37 10.979 -22.352 -8.031 241 HD3 PRO 37 HD3 PRO 37 10.564 -22.826 -6.371 242 H ASN 38 H ASN 38 12.663 -23.571 -9.246 243 HA ASN 38 HA ASN 38 13.840 -25.632 -10.987 244 HB2 ASN 38 HB2 ASN 38 11.487 -24.468 -11.340 245 HB3 ASN 38 HB3 ASN 38 12.486 -23.222 -12.079 246 HD21 ASN 38 HD21 ASN 38 11.428 -26.494 -12.216 247 HD22 ASN 38 HD22 ASN 38 11.902 -26.795 -13.839 248 H GLY 39 H GLY 39 14.862 -23.225 -9.179 249 HA2 GLY 39 HA2 GLY 39 16.593 -21.714 -9.241 250 HA3 GLY 39 HA3 GLY 39 17.183 -22.616 -10.633 251 H GLU 40 H GLU 40 14.143 -20.871 -10.317 252 HA GLU 40 HA GLU 40 15.000 -19.137 -12.518 253 HB2 GLU 40 HB2 GLU 40 12.592 -18.835 -12.986 254 HB3 GLU 40 HB3 GLU 40 13.108 -20.508 -13.121 255 HG2 GLU 40 HG2 GLU 40 12.200 -20.928 -10.866 256 HG3 GLU 40 HG3 GLU 40 11.600 -19.271 -10.839 257 HA PRO 41 HA PRO 41 14.753 -15.829 -9.491 258 HB2 PRO 41 HB2 PRO 41 15.456 -13.828 -11.171 259 HB3 PRO 41 HB3 PRO 41 16.634 -14.987 -10.544 260 HG2 PRO 41 HG2 PRO 41 15.267 -14.932 -13.208 261 HG3 PRO 41 HG3 PRO 41 16.965 -15.273 -12.830 262 HD2 PRO 41 HD2 PRO 41 15.131 -17.222 -13.335 263 HD3 PRO 41 HD3 PRO 41 16.529 -17.461 -12.269 264 H CYS 42 H CYS 42 13.657 -13.557 -9.492 265 HA CYS 42 HA CYS 42 11.016 -13.904 -10.648 266 HB2 CYS 42 HB2 CYS 42 10.282 -12.157 -9.129 267 HB3 CYS 42 HB3 CYS 42 11.243 -13.321 -8.235 268 HA PRO 43 HA PRO 43 11.573 -10.979 -13.897 269 HB2 PRO 43 HB2 PRO 43 9.130 -9.850 -14.125 270 HB3 PRO 43 HB3 PRO 43 9.435 -11.538 -14.550 271 HG2 PRO 43 HG2 PRO 43 8.267 -10.406 -12.033 272 HG3 PRO 43 HG3 PRO 43 7.717 -11.792 -12.993 273 HD2 PRO 43 HD2 PRO 43 9.183 -12.070 -10.739 274 HD3 PRO 43 HD3 PRO 43 9.302 -13.199 -12.101 275 H HIS 44 H HIS 44 12.568 -9.908 -11.458 276 HA HIS 44 HA HIS 44 11.954 -7.063 -11.867 277 HB2 HIS 44 HB2 HIS 44 12.262 -8.551 -9.266 278 HB3 HIS 44 HB3 HIS 44 12.560 -6.822 -9.362 279 HD2 HIS 44 HD2 HIS 44 10.199 -5.292 -10.051 280 HE1 HIS 44 HE1 HIS 44 7.548 -8.360 -8.834 281 HE2 HIS 44 HE2 HIS 44 7.810 -5.902 -9.292 282 HA PRO 45 HA PRO 45 16.428 -7.288 -12.519 283 HB2 PRO 45 HB2 PRO 45 16.695 -4.933 -13.774 284 HB3 PRO 45 HB3 PRO 45 15.974 -6.330 -14.584 285 HG2 PRO 45 HG2 PRO 45 14.624 -3.987 -13.297 286 HG3 PRO 45 HG3 PRO 45 14.268 -4.765 -14.850 287 HD2 PRO 45 HD2 PRO 45 12.860 -5.266 -12.561 288 HD3 PRO 45 HD3 PRO 45 13.054 -6.450 -13.868 289 H ASP 46 H ASP 46 14.688 -5.721 -10.328 290 HA ASP 46 HA ASP 46 16.464 -3.604 -9.530 291 HB2 ASP 46 HB2 ASP 46 13.996 -3.561 -9.148 292 HB3 ASP 46 HB3 ASP 46 14.185 -4.885 -8.007 293 H CYS 47 H CYS 47 16.265 -6.966 -9.075 294 HA CYS 47 HA CYS 47 18.340 -6.882 -7.016 295 HB2 CYS 47 HB2 CYS 47 17.242 -8.734 -5.868 296 HB3 CYS 47 HB3 CYS 47 16.162 -7.344 -5.945 297 H HIS 48 H HIS 48 18.864 -9.454 -6.752 298 HA HIS 48 HA HIS 48 18.943 -10.781 -9.308 299 HB2 HIS 48 HB2 HIS 48 21.371 -9.625 -7.992 300 HB3 HIS 48 HB3 HIS 48 21.507 -11.077 -8.972 301 HD1 HIS 48 HD1 HIS 48 21.627 -7.482 -9.203 302 HD2 HIS 48 HD2 HIS 48 20.479 -10.580 -11.724 303 HE1 HIS 48 HE1 HIS 48 21.639 -6.511 -11.521 304 HE2 HIS 48 HE2 HIS 48 20.855 -8.378 -13.018 305 H CYS 49 H CYS 49 17.543 -11.627 -7.221 306 HA CYS 49 HA CYS 49 19.013 -13.328 -5.450 307 HB2 CYS 49 HB2 CYS 49 16.797 -14.159 -4.795 308 HB3 CYS 49 HB3 CYS 49 16.834 -12.399 -4.833 309 H GLU 50 H GLU 50 17.788 -15.735 -5.458 310 HA GLU 50 HA GLU 50 17.635 -17.780 -6.425 311 HB2 GLU 50 HB2 GLU 50 16.314 -16.553 -8.204 312 HB3 GLU 50 HB3 GLU 50 17.800 -16.413 -9.124 313 HG2 GLU 50 HG2 GLU 50 16.587 -19.031 -8.288 314 HG3 GLU 50 HG3 GLU 50 16.251 -18.240 -9.822 315 H ARG 51 H ARG 51 19.783 -15.844 -8.495 316 HA ARG 51 HA ARG 51 21.713 -17.944 -8.707 317 HB2 ARG 51 HB2 ARG 51 23.043 -16.326 -9.949 318 HB3 ARG 51 HB3 ARG 51 21.378 -16.300 -10.506 319 HG2 ARG 51 HG2 ARG 51 21.248 -14.129 -10.107 320 HG3 ARG 51 HG3 ARG 51 21.707 -14.377 -8.421 321 HD2 ARG 51 HD2 ARG 51 23.261 -12.865 -9.529 322 HD3 ARG 51 HD3 ARG 51 24.064 -14.361 -9.056 323 HE ARG 51 HE ARG 51 23.069 -14.345 -11.762 324 HH11 ARG 51 HH11 ARG 51 25.792 -13.549 -9.689 325 HH12 ARG 51 HH12 ARG 51 26.953 -13.648 -10.967 326 HH21 ARG 51 HH21 ARG 51 24.609 -14.469 -13.451 327 HH22 ARG 51 HH22 ARG 51 26.278 -14.173 -13.112 328 H SER 52 H SER 52 23.984 -17.648 -8.078 329 HA SER 52 HA SER 52 25.627 -17.355 -6.567 330 HB2 SER 52 HB2 SER 52 24.020 -14.979 -5.592 331 HB3 SER 52 HB3 SER 52 25.703 -15.321 -5.186 332 HG SER 52 HG SER 52 25.823 -15.385 -7.688
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