NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
487212 | 2kol | 16519 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 1HT LYS 1 -21.807 -9.463 -12.166 2 H2 LYS 1 2HT LYS 1 -21.169 -10.893 -11.463 3 H3 LYS 1 3HT LYS 1 -20.386 -10.167 -12.737 4 HA LYS 1 HA LYS 1 -19.816 -8.281 -11.451 5 HB2 LYS 1 2HB LYS 1 -21.235 -9.774 -9.235 6 HB3 LYS 1 1HB LYS 1 -20.232 -8.359 -9.002 7 HG2 LYS 1 2HG LYS 1 -21.831 -7.032 -10.316 8 HG3 LYS 1 1HG LYS 1 -22.830 -8.476 -10.527 9 HD2 LYS 1 2HD LYS 1 -23.097 -8.664 -8.110 10 HD3 LYS 1 1HD LYS 1 -22.066 -7.258 -7.881 11 HE2 LYS 1 2HE LYS 1 -23.692 -5.854 -9.028 12 HE3 LYS 1 1HE LYS 1 -24.707 -7.262 -9.337 13 HZ1 LYS 1 2HZ LYS 1 -24.027 -6.250 -6.607 14 HZ2 LYS 1 3HZ LYS 1 -25.040 -7.525 -6.980 15 HZ3 LYS 1 1HZ LYS 1 -25.473 -5.975 -7.418 16 HA PRO 2 HA PRO 2 -16.495 -11.046 -10.358 17 HB2 PRO 2 2HB PRO 2 -14.594 -9.204 -9.775 18 HB3 PRO 2 1HB PRO 2 -15.063 -9.571 -11.437 19 HG2 PRO 2 2HG PRO 2 -15.716 -7.208 -9.772 20 HG3 PRO 2 1HG PRO 2 -15.584 -7.342 -11.530 21 HD2 PRO 2 2HD PRO 2 -17.963 -7.310 -10.001 22 HD3 PRO 2 1HD PRO 2 -17.814 -7.689 -11.727 23 H VAL 3 H VAL 3 -17.174 -11.987 -8.475 24 HA VAL 3 HA VAL 3 -16.878 -10.395 -6.056 25 HB VAL 3 HB VAL 3 -18.661 -12.818 -6.470 26 HG11 VAL 3 1HG1 VAL 3 -17.822 -12.707 -4.180 27 HG12 VAL 3 2HG1 VAL 3 -19.542 -12.329 -4.236 28 HG13 VAL 3 3HG1 VAL 3 -18.358 -11.032 -4.053 29 HG21 VAL 3 3HG2 VAL 3 -19.353 -9.899 -6.124 30 HG22 VAL 3 1HG2 VAL 3 -20.517 -11.217 -6.214 31 HG23 VAL 3 2HG2 VAL 3 -19.505 -10.832 -7.607 32 H SER 4 H SER 4 -14.836 -10.777 -5.472 33 HA SER 4 HA SER 4 -14.080 -13.566 -5.229 34 HB2 SER 4 2HB SER 4 -12.308 -11.116 -5.332 35 HB3 SER 4 1HB SER 4 -11.739 -12.775 -5.142 36 HG SER 4 HG SER 4 -13.032 -13.141 -7.125 37 H LEU 5 H LEU 5 -15.399 -13.738 -3.362 38 HA LEU 5 HA LEU 5 -14.222 -12.445 -1.050 39 HB2 LEU 5 2HB LEU 5 -16.877 -13.851 -1.304 40 HB3 LEU 5 1HB LEU 5 -16.245 -13.188 0.194 41 HG LEU 5 HG LEU 5 -16.970 -11.622 -2.279 42 HD11 LEU 5 1HD1 LEU 5 -18.298 -11.792 0.413 43 HD12 LEU 5 2HD1 LEU 5 -18.904 -12.469 -1.100 44 HD13 LEU 5 3HD1 LEU 5 -18.765 -10.719 -0.910 45 HD21 LEU 5 3HD2 LEU 5 -15.996 -10.677 0.415 46 HD22 LEU 5 1HD2 LEU 5 -16.582 -9.644 -0.886 47 HD23 LEU 5 2HD2 LEU 5 -15.111 -10.580 -1.113 48 H SER 6 H SER 6 -12.476 -13.701 -1.341 49 HA SER 6 HA SER 6 -12.529 -16.078 0.291 50 HB2 SER 6 2HB SER 6 -11.233 -15.971 -2.463 51 HB3 SER 6 1HB SER 6 -11.168 -17.326 -1.336 52 HG SER 6 HG SER 6 -13.656 -16.922 -1.549 53 H TYR 7 H TYR 7 -10.968 -15.643 1.781 54 HA TYR 7 HA TYR 7 -9.264 -13.397 1.196 55 HB2 TYR 7 2HB TYR 7 -10.219 -14.615 3.720 56 HB3 TYR 7 1HB TYR 7 -8.867 -13.491 3.689 57 HD1 TYR 7 1HD TYR 7 -12.485 -13.863 3.013 58 HD2 TYR 7 2HD TYR 7 -9.218 -11.165 3.369 59 HE1 TYR 7 1HE TYR 7 -14.049 -11.965 3.008 60 HE2 TYR 7 2HE TYR 7 -10.767 -9.271 3.366 61 HH TYR 7 HH TYR 7 -14.114 -9.664 3.753 62 H ARG 8 H ARG 8 -7.600 -13.729 0.305 63 HA ARG 8 HA ARG 8 -5.669 -15.149 1.924 64 HB2 ARG 8 2HB ARG 8 -4.430 -15.996 0.087 65 HB3 ARG 8 1HB ARG 8 -6.071 -16.542 -0.146 66 HG2 ARG 8 2HG ARG 8 -4.846 -14.195 -1.600 67 HG3 ARG 8 1HG ARG 8 -4.859 -15.833 -2.231 68 HD2 ARG 8 2HD ARG 8 -7.283 -15.809 -2.253 69 HD3 ARG 8 1HD ARG 8 -7.296 -14.192 -1.551 70 HE ARG 8 HE ARG 8 -5.837 -13.758 -3.700 71 HH11 ARG 8 1HH1 ARG 8 -8.797 -15.726 -3.535 72 HH12 ARG 8 2HH1 ARG 8 -9.333 -15.233 -5.087 73 HH21 ARG 8 1HH2 ARG 8 -6.609 -13.118 -5.813 74 HH22 ARG 8 2HH2 ARG 8 -8.080 -13.752 -6.398 75 H CYS 9 H CYS 9 -6.788 -12.353 0.859 76 HA CYS 9 HA CYS 9 -4.194 -11.009 1.055 77 HB2 CYS 9 2HB CYS 9 -6.268 -10.315 -1.029 78 HB3 CYS 9 1HB CYS 9 -4.648 -9.657 -0.863 79 HA PRO 10 HA PRO 10 -6.947 -8.439 3.505 80 HB2 PRO 10 2HB PRO 10 -5.157 -6.426 4.008 81 HB3 PRO 10 1HB PRO 10 -5.185 -7.944 4.915 82 HG2 PRO 10 2HG PRO 10 -3.334 -7.036 2.782 83 HG3 PRO 10 1HG PRO 10 -3.026 -8.106 4.143 84 HD2 PRO 10 2HD PRO 10 -3.413 -8.952 1.536 85 HD3 PRO 10 1HD PRO 10 -3.614 -9.956 2.977 86 H CYS 11 H CYS 11 -4.727 -6.619 1.375 87 HA CYS 11 HA CYS 11 -6.828 -4.757 0.735 88 HB2 CYS 11 2HB CYS 11 -3.978 -4.918 -0.248 89 HB3 CYS 11 1HB CYS 11 -5.119 -3.665 -0.715 90 H ARG 12 H ARG 12 -8.309 -5.398 -0.552 91 HA ARG 12 HA ARG 12 -7.745 -7.118 -2.839 92 HB2 ARG 12 2HB ARG 12 -9.757 -7.381 -1.351 93 HB3 ARG 12 1HB ARG 12 -10.325 -5.836 -1.953 94 HG2 ARG 12 2HG ARG 12 -10.381 -6.794 -4.228 95 HG3 ARG 12 1HG ARG 12 -9.935 -8.360 -3.542 96 HD2 ARG 12 2HD ARG 12 -12.380 -6.729 -2.932 97 HD3 ARG 12 1HD ARG 12 -12.335 -8.274 -3.785 98 HE ARG 12 HE ARG 12 -11.237 -8.931 -1.467 99 HH11 ARG 12 1HH1 ARG 12 -14.189 -7.089 -2.146 100 HH12 ARG 12 2HH1 ARG 12 -14.931 -7.496 -0.662 101 HH21 ARG 12 1HH2 ARG 12 -12.252 -9.453 0.531 102 HH22 ARG 12 2HH2 ARG 12 -13.807 -8.866 0.910 103 H PHE 13 H PHE 13 -8.147 -3.847 -1.966 104 HA PHE 13 HA PHE 13 -8.404 -3.003 -4.757 105 HB2 PHE 13 2HB PHE 13 -9.216 -1.539 -2.231 106 HB3 PHE 13 1HB PHE 13 -9.300 -0.875 -3.854 107 HD1 PHE 13 2HD PHE 13 -11.014 -1.624 -5.404 108 HD2 PHE 13 1HD PHE 13 -10.810 -3.169 -1.446 109 HE1 PHE 13 2HE PHE 13 -13.295 -2.510 -5.639 110 HE2 PHE 13 1HE PHE 13 -13.093 -4.058 -1.676 111 HZ PHE 13 HZ PHE 13 -14.336 -3.727 -3.772 112 H PHE 14 H PHE 14 -7.003 -1.423 -5.433 113 HA PHE 14 HA PHE 14 -4.901 -0.543 -3.612 114 HB2 PHE 14 2HB PHE 14 -4.547 -1.705 -6.367 115 HB3 PHE 14 1HB PHE 14 -3.311 -0.810 -5.499 116 HD1 PHE 14 2HD PHE 14 -2.729 -1.670 -3.205 117 HD2 PHE 14 1HD PHE 14 -4.668 -3.998 -6.142 118 HE1 PHE 14 2HE PHE 14 -1.942 -3.655 -2.091 119 HE2 PHE 14 1HE PHE 14 -3.907 -6.062 -5.030 120 HZ PHE 14 HZ PHE 14 -2.530 -5.908 -2.986 121 H GLU 15 H GLU 15 -4.358 1.557 -3.891 122 HA GLU 15 HA GLU 15 -5.543 2.875 -6.191 123 HB2 GLU 15 2HB GLU 15 -6.279 3.722 -3.972 124 HB3 GLU 15 1HB GLU 15 -4.648 4.158 -3.575 125 HG2 GLU 15 2HG GLU 15 -4.546 5.707 -5.449 126 HG3 GLU 15 1HG GLU 15 -6.169 5.256 -5.948 127 H SER 16 H SER 16 -4.233 3.570 -7.724 128 HA SER 16 HA SER 16 -1.363 3.397 -7.379 129 HB2 SER 16 2HB SER 16 -1.440 3.797 -9.857 130 HB3 SER 16 1HB SER 16 -2.363 2.388 -9.326 131 HG SER 16 HG SER 16 -3.424 3.824 -10.824 132 H HIS 17 H HIS 17 -3.737 5.591 -6.986 133 HA HIS 17 HA HIS 17 -2.545 7.940 -8.234 134 HB2 HIS 17 2HB HIS 17 -4.918 7.846 -6.368 135 HB3 HIS 17 1HB HIS 17 -4.478 9.143 -7.469 136 HD1 HIS 17 1HD HIS 17 -7.280 7.831 -7.493 137 HD2 HIS 17 2HD HIS 17 -4.149 6.631 -9.957 138 HE1 HIS 17 1HE HIS 17 -8.344 6.720 -9.429 139 HE2 HIS 17 2HE HIS 17 -6.420 5.691 -10.647 140 H VAL 18 H VAL 18 -1.695 6.327 -5.586 141 HA VAL 18 HA VAL 18 -1.654 8.379 -3.628 142 HB VAL 18 HB VAL 18 -0.144 5.766 -3.764 143 HG11 VAL 18 1HG1 VAL 18 0.823 7.367 -2.198 144 HG12 VAL 18 2HG1 VAL 18 0.078 6.005 -1.361 145 HG13 VAL 18 3HG1 VAL 18 -0.751 7.563 -1.427 146 HG21 VAL 18 3HG2 VAL 18 -2.772 6.437 -2.446 147 HG22 VAL 18 1HG2 VAL 18 -1.922 4.900 -2.298 148 HG23 VAL 18 2HG2 VAL 18 -2.550 5.411 -3.862 149 H ALA 19 H ALA 19 -0.182 9.896 -3.310 150 HA ALA 19 HA ALA 19 2.278 9.866 -4.908 151 HB1 ALA 19 1HB ALA 19 0.790 11.781 -5.319 152 HB2 ALA 19 2HB ALA 19 2.292 12.293 -4.539 153 HB3 ALA 19 3HB ALA 19 0.813 12.150 -3.591 154 H ARG 20 H ARG 20 4.159 9.773 -3.825 155 HA ARG 20 HA ARG 20 4.222 8.926 -1.156 156 HB2 ARG 20 2HB ARG 20 5.952 8.394 -2.813 157 HB3 ARG 20 1HB ARG 20 6.512 10.053 -2.768 158 HG2 ARG 20 2HG ARG 20 7.152 9.770 -0.406 159 HG3 ARG 20 1HG ARG 20 6.543 8.122 -0.459 160 HD2 ARG 20 2HD ARG 20 8.952 8.149 -0.732 161 HD3 ARG 20 1HD ARG 20 8.157 7.577 -2.198 162 HE ARG 20 HE ARG 20 8.913 10.374 -1.987 163 HH11 ARG 20 1HH1 ARG 20 9.415 7.201 -3.541 164 HH12 ARG 20 2HH1 ARG 20 10.430 7.836 -4.748 165 HH21 ARG 20 1HH2 ARG 20 10.350 11.173 -3.670 166 HH22 ARG 20 2HH2 ARG 20 10.970 10.093 -4.831 167 H ALA 21 H ALA 21 4.582 12.097 -2.530 168 HA ALA 21 HA ALA 21 5.610 13.434 -0.274 169 HB1 ALA 21 1HB ALA 21 4.864 15.489 -1.349 170 HB2 ALA 21 2HB ALA 21 3.873 14.555 -2.471 171 HB3 ALA 21 3HB ALA 21 5.629 14.415 -2.517 172 H ASN 22 H ASN 22 2.407 12.311 -0.991 173 HA ASN 22 HA ASN 22 1.289 13.976 1.154 174 HB2 ASN 22 2HB ASN 22 0.136 13.976 -1.056 175 HB3 ASN 22 1HB ASN 22 -0.125 12.248 -0.888 176 HD21 ASN 22 1HD2 ASN 22 -2.303 12.448 -0.995 177 HD22 ASN 22 2HD2 ASN 22 -3.281 13.123 0.255 178 H VAL 23 H VAL 23 2.603 10.990 0.656 179 HA VAL 23 HA VAL 23 0.917 9.456 2.413 180 HB VAL 23 HB VAL 23 3.715 8.850 1.391 181 HG11 VAL 23 1HG1 VAL 23 3.241 6.551 2.015 182 HG12 VAL 23 2HG1 VAL 23 1.693 7.045 2.713 183 HG13 VAL 23 3HG1 VAL 23 3.206 7.607 3.428 184 HG21 VAL 23 3HG2 VAL 23 2.078 9.025 -0.392 185 HG22 VAL 23 1HG2 VAL 23 1.031 7.882 0.439 186 HG23 VAL 23 2HG2 VAL 23 2.593 7.353 -0.173 187 H LYS 24 H LYS 24 0.925 9.621 4.535 188 HA LYS 24 HA LYS 24 2.989 11.072 5.936 189 HB2 LYS 24 2HB LYS 24 0.516 11.141 6.658 190 HB3 LYS 24 1HB LYS 24 0.704 9.435 7.059 191 HG2 LYS 24 2HG LYS 24 2.132 10.056 8.751 192 HG3 LYS 24 1HG LYS 24 2.181 11.727 8.162 193 HD2 LYS 24 2HD LYS 24 -0.263 11.872 8.453 194 HD3 LYS 24 1HD LYS 24 -0.236 10.254 9.173 195 HE2 LYS 24 2HE LYS 24 1.375 10.973 10.625 196 HE3 LYS 24 1HE LYS 24 1.261 12.630 10.036 197 HZ1 LYS 24 3HZ LYS 24 -1.105 12.690 10.727 198 HZ2 LYS 24 1HZ LYS 24 -0.117 12.411 12.063 199 HZ3 LYS 24 2HZ LYS 24 -0.974 11.137 11.376 200 H ARG 25 H ARG 25 1.668 7.863 5.904 201 HA ARG 25 HA ARG 25 4.295 6.694 6.454 202 HB2 ARG 25 2HB ARG 25 3.188 6.930 8.657 203 HB3 ARG 25 1HB ARG 25 1.805 6.037 8.043 204 HG2 ARG 25 2HG ARG 25 3.314 4.086 7.663 205 HG3 ARG 25 1HG ARG 25 4.600 4.993 8.457 206 HD2 ARG 25 2HD ARG 25 1.955 4.204 9.670 207 HD3 ARG 25 1HD ARG 25 3.508 3.449 10.004 208 HE ARG 25 HE ARG 25 3.729 6.171 10.555 209 HH11 ARG 25 1HH1 ARG 25 2.104 3.296 11.835 210 HH12 ARG 25 2HH1 ARG 25 1.974 3.898 13.407 211 HH21 ARG 25 1HH2 ARG 25 3.537 6.996 12.725 212 HH22 ARG 25 2HH2 ARG 25 2.806 6.049 13.933 213 H LEU 26 H LEU 26 4.544 4.703 5.404 214 HA LEU 26 HA LEU 26 2.134 3.377 4.549 215 HB2 LEU 26 2HB LEU 26 2.863 2.904 2.369 216 HB3 LEU 26 1HB LEU 26 3.008 4.628 2.561 217 HG LEU 26 HG LEU 26 5.391 2.785 2.814 218 HD11 LEU 26 1HD1 LEU 26 5.832 3.228 0.468 219 HD12 LEU 26 2HD1 LEU 26 4.306 4.120 0.363 220 HD13 LEU 26 3HD1 LEU 26 4.290 2.389 0.716 221 HD21 LEU 26 3HD2 LEU 26 5.175 5.690 2.011 222 HD22 LEU 26 1HD2 LEU 26 6.640 4.729 2.129 223 HD23 LEU 26 2HD2 LEU 26 5.723 5.116 3.600 224 H LYS 27 H LYS 27 2.549 1.154 4.036 225 HA LYS 27 HA LYS 27 5.093 0.072 4.856 226 HB2 LYS 27 2HB LYS 27 3.879 0.155 6.933 227 HB3 LYS 27 1HB LYS 27 2.495 -0.710 6.186 228 HG2 LYS 27 2HG LYS 27 3.728 -2.201 7.610 229 HG3 LYS 27 1HG LYS 27 4.074 -2.638 5.934 230 HD2 LYS 27 2HD LYS 27 6.206 -2.625 7.009 231 HD3 LYS 27 1HD LYS 27 6.001 -1.116 6.096 232 HE2 LYS 27 2HE LYS 27 7.031 -0.697 8.273 233 HE3 LYS 27 1HE LYS 27 5.490 0.124 8.098 234 HZ1 LYS 27 3HZ LYS 27 4.472 -1.633 9.460 235 HZ2 LYS 27 1HZ LYS 27 5.738 -0.889 10.260 236 HZ3 LYS 27 2HZ LYS 27 5.965 -2.405 9.602 237 H ILE 28 H ILE 28 5.515 -1.697 3.714 238 HA ILE 28 HA ILE 28 3.407 -2.730 1.947 239 HB ILE 28 HB ILE 28 6.411 -3.152 1.744 240 HG12 ILE 28 2HG1 ILE 28 4.588 -1.373 0.108 241 HG13 ILE 28 1HG1 ILE 28 5.889 -0.878 1.179 242 HG21 ILE 28 1HG2 ILE 28 4.221 -3.985 -0.160 243 HG22 ILE 28 2HG2 ILE 28 5.211 -5.041 0.851 244 HG23 ILE 28 3HG2 ILE 28 5.959 -4.108 -0.448 245 HD11 ILE 28 3HD1 ILE 28 6.569 -0.724 -1.145 246 HD12 ILE 28 1HD1 ILE 28 6.199 -2.434 -1.375 247 HD13 ILE 28 2HD1 ILE 28 7.507 -1.957 -0.297 248 H LEU 29 H LEU 29 2.470 -4.463 2.729 249 HA LEU 29 HA LEU 29 4.001 -6.225 4.469 250 HB2 LEU 29 2HB LEU 29 1.761 -5.454 5.215 251 HB3 LEU 29 1HB LEU 29 1.051 -6.192 3.796 252 HG LEU 29 HG LEU 29 1.782 -8.414 4.622 253 HD11 LEU 29 1HD1 LEU 29 2.529 -8.644 6.923 254 HD12 LEU 29 2HD1 LEU 29 2.605 -6.888 7.080 255 HD13 LEU 29 3HD1 LEU 29 3.680 -7.722 5.960 256 HD21 LEU 29 3HD2 LEU 29 0.103 -6.820 6.554 257 HD22 LEU 29 1HD2 LEU 29 0.134 -8.578 6.417 258 HD23 LEU 29 2HD2 LEU 29 -0.474 -7.603 5.080 259 H ASN 30 H ASN 30 5.108 -7.668 3.363 260 HA ASN 30 HA ASN 30 4.204 -8.548 0.752 261 HB2 ASN 30 2HB ASN 30 6.711 -9.357 2.268 262 HB3 ASN 30 1HB ASN 30 6.362 -9.714 0.591 263 HD21 ASN 30 1HD2 ASN 30 8.162 -8.703 -0.251 264 HD22 ASN 30 2HD2 ASN 30 8.398 -6.999 -0.181 265 H THR 31 H THR 31 2.469 -9.981 1.079 266 HA THR 31 HA THR 31 2.914 -11.968 3.094 267 HB THR 31 HB THR 31 0.574 -12.636 2.611 268 HG1 THR 31 1HG THR 31 -0.597 -10.968 1.367 269 HG21 THR 31 3HG2 THR 31 0.954 -9.694 3.163 270 HG22 THR 31 1HG2 THR 31 0.993 -10.981 4.367 271 HG23 THR 31 2HG2 THR 31 -0.510 -10.588 3.509 272 HA PRO 32 HA PRO 32 4.471 -14.695 -0.096 273 HB2 PRO 32 2HB PRO 32 4.438 -16.977 1.420 274 HB3 PRO 32 1HB PRO 32 5.712 -15.760 1.545 275 HG2 PRO 32 2HG PRO 32 3.302 -16.159 3.283 276 HG3 PRO 32 1HG PRO 32 4.968 -15.799 3.765 277 HD2 PRO 32 2HD PRO 32 3.075 -13.917 3.694 278 HD3 PRO 32 1HD PRO 32 4.758 -13.552 3.257 279 H ASN 33 H ASN 33 1.682 -15.100 1.804 280 HA ASN 33 HA ASN 33 0.421 -17.167 0.311 281 HB2 ASN 33 2HB ASN 33 -1.556 -16.567 1.713 282 HB3 ASN 33 1HB ASN 33 -0.099 -16.926 2.642 283 HD21 ASN 33 1HD2 ASN 33 -2.343 -14.439 1.671 284 HD22 ASN 33 2HD2 ASN 33 -1.742 -13.252 2.740 285 H CYS 34 H CYS 34 0.375 -13.615 0.185 286 HA CYS 34 HA CYS 34 -1.421 -13.927 -2.116 287 HB2 CYS 34 2HB CYS 34 -2.387 -12.469 -0.140 288 HB3 CYS 34 1HB CYS 34 -1.106 -11.425 -0.531 289 H ALA 35 H ALA 35 0.530 -11.140 -1.061 290 HA ALA 35 HA ALA 35 2.436 -11.090 -3.066 291 HB1 ALA 35 1HB ALA 35 -0.155 -9.646 -3.721 292 HB2 ALA 35 2HB ALA 35 0.516 -11.009 -4.613 293 HB3 ALA 35 3HB ALA 35 1.358 -9.462 -4.610 294 H LEU 36 H LEU 36 2.116 -8.228 -3.534 295 HA LEU 36 HA LEU 36 2.938 -7.244 -0.931 296 HB2 LEU 36 2HB LEU 36 2.774 -5.876 -3.587 297 HB3 LEU 36 1HB LEU 36 3.486 -5.202 -2.138 298 HG LEU 36 HG LEU 36 4.511 -7.483 -3.805 299 HD11 LEU 36 1HD1 LEU 36 5.534 -4.721 -3.216 300 HD12 LEU 36 2HD1 LEU 36 4.877 -5.289 -4.748 301 HD13 LEU 36 3HD1 LEU 36 6.404 -5.940 -4.147 302 HD21 LEU 36 3HD2 LEU 36 4.899 -7.927 -1.455 303 HD22 LEU 36 1HD2 LEU 36 5.581 -6.317 -1.258 304 HD23 LEU 36 2HD2 LEU 36 6.409 -7.507 -2.270 305 H GLN 37 H GLN 37 1.412 -6.455 0.397 306 HA GLN 37 HA GLN 37 -0.627 -4.772 -0.867 307 HB2 GLN 37 2HB GLN 37 -0.804 -6.266 1.768 308 HB3 GLN 37 1HB GLN 37 -1.934 -5.011 1.302 309 HG2 GLN 37 2HG GLN 37 -2.973 -7.106 0.826 310 HG3 GLN 37 1HG GLN 37 -2.520 -6.371 -0.693 311 HE21 GLN 37 1HE2 GLN 37 -0.251 -8.022 1.435 312 HE22 GLN 37 2HE2 GLN 37 0.069 -9.296 0.335 313 H ILE 38 H ILE 38 -0.511 -2.730 -0.458 314 HA ILE 38 HA ILE 38 1.399 -1.855 1.610 315 HB ILE 38 HB ILE 38 0.743 -0.452 -0.972 316 HG12 ILE 38 2HG1 ILE 38 3.018 -2.362 -0.415 317 HG13 ILE 38 1HG1 ILE 38 1.631 -2.687 -1.427 318 HG21 ILE 38 1HG2 ILE 38 3.069 -0.251 0.972 319 HG22 ILE 38 2HG2 ILE 38 1.773 0.925 0.797 320 HG23 ILE 38 3HG2 ILE 38 2.917 0.668 -0.524 321 HD11 ILE 38 3HD1 ILE 38 3.652 -0.547 -1.905 322 HD12 ILE 38 1HD1 ILE 38 2.280 -0.939 -2.938 323 HD13 ILE 38 2HD1 ILE 38 3.591 -2.114 -2.716 324 H VAL 39 H VAL 39 0.853 0.175 2.612 325 HA VAL 39 HA VAL 39 -1.915 1.037 2.190 326 HB VAL 39 HB VAL 39 -2.217 1.369 4.637 327 HG11 VAL 39 1HG1 VAL 39 -3.073 -0.663 3.613 328 HG12 VAL 39 2HG1 VAL 39 -2.507 -0.989 5.253 329 HG13 VAL 39 3HG1 VAL 39 -1.522 -1.464 3.867 330 HG21 VAL 39 3HG2 VAL 39 -0.663 0.319 6.226 331 HG22 VAL 39 1HG2 VAL 39 0.134 1.578 5.281 332 HG23 VAL 39 2HG2 VAL 39 0.407 -0.118 4.890 333 H ALA 40 H ALA 40 -2.234 3.218 2.173 334 HA ALA 40 HA ALA 40 0.074 4.936 2.871 335 HB1 ALA 40 1HB ALA 40 -1.977 5.368 0.701 336 HB2 ALA 40 2HB ALA 40 -0.303 4.930 0.436 337 HB3 ALA 40 3HB ALA 40 -0.703 6.483 1.144 338 H ARG 41 H ARG 41 -0.444 6.106 4.598 339 HA ARG 41 HA ARG 41 -3.208 7.008 4.736 340 HB2 ARG 41 2HB ARG 41 -2.535 5.963 6.798 341 HB3 ARG 41 1HB ARG 41 -1.086 6.982 6.858 342 HG2 ARG 41 2HG ARG 41 -2.317 8.827 7.455 343 HG3 ARG 41 1HG ARG 41 -3.836 8.112 6.896 344 HD2 ARG 41 2HD ARG 41 -3.621 8.107 9.376 345 HD3 ARG 41 1HD ARG 41 -3.820 6.511 8.651 346 HE ARG 41 HE ARG 41 -1.126 7.449 9.307 347 HH11 ARG 41 1HH1 ARG 41 -3.843 5.280 10.012 348 HH12 ARG 41 2HH1 ARG 41 -2.905 4.209 10.963 349 HH21 ARG 41 1HH2 ARG 41 0.135 5.958 10.588 350 HH22 ARG 41 2HH2 ARG 41 -0.627 4.592 11.289 351 H LEU 42 H LEU 42 -3.679 8.842 4.264 352 HA LEU 42 HA LEU 42 -1.695 10.552 3.068 353 HB2 LEU 42 2HB LEU 42 -4.565 11.121 3.613 354 HB3 LEU 42 1HB LEU 42 -3.635 12.111 2.552 355 HG LEU 42 HG LEU 42 -4.900 9.495 2.183 356 HD11 LEU 42 1HD1 LEU 42 -5.363 10.265 -0.081 357 HD12 LEU 42 2HD1 LEU 42 -4.535 11.765 0.292 358 HD13 LEU 42 3HD1 LEU 42 -5.994 11.318 1.178 359 HD21 LEU 42 3HD2 LEU 42 -2.381 10.153 0.638 360 HD22 LEU 42 1HD2 LEU 42 -3.490 8.842 0.233 361 HD23 LEU 42 2HD2 LEU 42 -2.601 8.808 1.758 362 H LYS 43 H LYS 43 -0.845 12.450 3.731 363 HA LYS 43 HA LYS 43 -0.719 12.997 6.510 364 HB2 LYS 43 2HB LYS 43 0.041 14.815 4.185 365 HB3 LYS 43 1HB LYS 43 0.536 15.039 5.841 366 HG2 LYS 43 2HG LYS 43 1.853 13.121 5.811 367 HG3 LYS 43 1HG LYS 43 1.298 12.717 4.178 368 HD2 LYS 43 2HD LYS 43 2.280 14.664 3.264 369 HD3 LYS 43 1HD LYS 43 2.604 15.336 4.862 370 HE2 LYS 43 2HE LYS 43 4.037 13.672 5.343 371 HE3 LYS 43 1HE LYS 43 3.801 12.788 3.822 372 HZ1 LYS 43 3HZ LYS 43 5.085 15.487 4.171 373 HZ2 LYS 43 1HZ LYS 43 4.669 14.840 2.664 374 HZ3 LYS 43 2HZ LYS 43 5.821 14.083 3.611 375 H ASN 44 H ASN 44 -2.424 14.425 3.804 376 HA ASN 44 HA ASN 44 -3.637 16.485 5.442 377 HB2 ASN 44 2HB ASN 44 -2.859 17.117 3.258 378 HB3 ASN 44 1HB ASN 44 -3.848 15.898 2.486 379 HD21 ASN 44 1HD2 ASN 44 -4.939 17.362 1.235 380 HD22 ASN 44 2HD2 ASN 44 -6.082 18.495 1.848 381 H ASN 45 H ASN 45 -4.761 13.748 3.449 382 HA ASN 45 HA ASN 45 -7.435 14.174 4.274 383 HB2 ASN 45 2HB ASN 45 -6.866 13.088 2.089 384 HB3 ASN 45 1HB ASN 45 -6.349 11.685 3.021 385 HD21 ASN 45 1HD2 ASN 45 -7.889 10.436 1.830 386 HD22 ASN 45 2HD2 ASN 45 -9.552 10.520 2.239 387 H ASN 46 H ASN 46 -4.786 12.375 5.543 388 HA ASN 46 HA ASN 46 -4.457 11.160 7.427 389 HB2 ASN 46 2HB ASN 46 -5.546 13.051 8.582 390 HB3 ASN 46 1HB ASN 46 -7.128 12.398 8.224 391 HD21 ASN 46 1HD2 ASN 46 -4.275 12.103 10.201 392 HD22 ASN 46 2HD2 ASN 46 -4.994 11.104 11.412 393 H ARG 47 H ARG 47 -6.323 10.301 5.133 394 HA ARG 47 HA ARG 47 -7.376 7.954 6.518 395 HB2 ARG 47 2HB ARG 47 -8.183 9.042 3.830 396 HB3 ARG 47 1HB ARG 47 -8.800 7.570 4.549 397 HG2 ARG 47 2HG ARG 47 -9.716 8.887 6.415 398 HG3 ARG 47 1HG ARG 47 -9.176 10.365 5.604 399 HD2 ARG 47 2HD ARG 47 -10.533 9.750 3.653 400 HD3 ARG 47 1HD ARG 47 -11.094 8.326 4.519 401 HE ARG 47 HE ARG 47 -11.585 10.760 5.925 402 HH11 ARG 47 1HH1 ARG 47 -12.858 8.524 3.485 403 HH12 ARG 47 2HH1 ARG 47 -14.439 9.127 3.544 404 HH21 ARG 47 1HH2 ARG 47 -13.779 11.580 6.011 405 HH22 ARG 47 2HH2 ARG 47 -14.980 10.903 4.983 406 H GLN 48 H GLN 48 -7.110 5.923 5.619 407 HA GLN 48 HA GLN 48 -4.621 5.702 4.207 408 HB2 GLN 48 2HB GLN 48 -4.429 4.907 6.346 409 HB3 GLN 48 1HB GLN 48 -6.020 4.176 6.317 410 HG2 GLN 48 2HG GLN 48 -5.269 2.484 4.869 411 HG3 GLN 48 1HG GLN 48 -3.703 3.258 4.657 412 HE21 GLN 48 1HE2 GLN 48 -4.378 0.582 5.643 413 HE22 GLN 48 2HE2 GLN 48 -3.719 0.448 7.228 414 H VAL 49 H VAL 49 -4.527 4.740 2.373 415 HA VAL 49 HA VAL 49 -6.648 2.914 1.471 416 HB VAL 49 HB VAL 49 -6.357 3.762 -0.853 417 HG11 VAL 49 1HG1 VAL 49 -7.652 5.823 -0.610 418 HG12 VAL 49 2HG1 VAL 49 -7.260 5.856 1.112 419 HG13 VAL 49 3HG1 VAL 49 -8.242 4.549 0.458 420 HG21 VAL 49 3HG2 VAL 49 -4.790 5.998 0.451 421 HG22 VAL 49 1HG2 VAL 49 -5.292 5.953 -1.240 422 HG23 VAL 49 2HG2 VAL 49 -4.134 4.769 -0.630 423 H CYS 50 H CYS 50 -5.948 1.153 0.453 424 HA CYS 50 HA CYS 50 -3.272 0.339 0.754 425 HB2 CYS 50 2HB CYS 50 -5.451 -0.767 -0.994 426 HB3 CYS 50 1HB CYS 50 -3.988 -1.620 -0.705 427 H ILE 51 H ILE 51 -1.550 0.474 -0.572 428 HA ILE 51 HA ILE 51 -1.928 2.140 -2.951 429 HB ILE 51 HB ILE 51 0.781 1.259 -1.974 430 HG12 ILE 51 2HG1 ILE 51 -0.738 3.679 -1.023 431 HG13 ILE 51 1HG1 ILE 51 -0.386 2.268 -0.029 432 HG21 ILE 51 1HG2 ILE 51 -0.298 3.650 -3.429 433 HG22 ILE 51 2HG2 ILE 51 0.589 2.309 -4.145 434 HG23 ILE 51 3HG2 ILE 51 1.405 3.418 -3.028 435 HD11 ILE 51 3HD1 ILE 51 1.280 3.935 0.529 436 HD12 ILE 51 1HD1 ILE 51 1.612 4.210 -1.191 437 HD13 ILE 51 2HD1 ILE 51 2.040 2.692 -0.437 438 H ASP 52 H ASP 52 -1.372 1.477 -4.897 439 HA ASP 52 HA ASP 52 -1.313 -1.278 -5.516 440 HB2 ASP 52 2HB ASP 52 -2.274 0.296 -7.027 441 HB3 ASP 52 1HB ASP 52 -0.789 1.236 -7.115 442 HA PRO 53 HA PRO 53 3.000 -1.862 -4.652 443 HB2 PRO 53 2HB PRO 53 3.252 -4.374 -5.511 444 HB3 PRO 53 1HB PRO 53 2.369 -3.942 -4.037 445 HG2 PRO 53 2HG PRO 53 1.302 -4.567 -6.764 446 HG3 PRO 53 1HG PRO 53 0.718 -5.112 -5.179 447 HD2 PRO 53 2HD PRO 53 -0.417 -3.057 -6.551 448 HD3 PRO 53 1HD PRO 53 -0.402 -3.149 -4.778 449 H LYS 54 H LYS 54 1.797 -2.027 -7.889 450 HA LYS 54 HA LYS 54 4.492 -2.238 -8.641 451 HB2 LYS 54 2HB LYS 54 3.681 -2.490 -11.127 452 HB3 LYS 54 1HB LYS 54 3.685 -3.835 -10.020 453 HG2 LYS 54 2HG LYS 54 1.705 -3.909 -11.343 454 HG3 LYS 54 1HG LYS 54 1.251 -3.502 -9.696 455 HD2 LYS 54 2HD LYS 54 1.033 -1.169 -10.341 456 HD3 LYS 54 1HD LYS 54 1.510 -1.568 -11.995 457 HE2 LYS 54 2HE LYS 54 -0.429 -3.011 -12.241 458 HE3 LYS 54 1HE LYS 54 -0.876 -2.737 -10.563 459 HZ1 LYS 54 3HZ LYS 54 -0.811 -0.670 -12.690 460 HZ2 LYS 54 1HZ LYS 54 -1.209 -0.427 -11.064 461 HZ3 LYS 54 2HZ LYS 54 -2.192 -1.397 -12.034 462 H LEU 55 H LEU 55 2.801 0.223 -7.909 463 HA LEU 55 HA LEU 55 3.682 2.228 -9.651 464 HB2 LEU 55 2HB LEU 55 3.514 2.294 -6.639 465 HB3 LEU 55 1HB LEU 55 3.853 3.699 -7.621 466 HG LEU 55 HG LEU 55 1.287 2.109 -7.638 467 HD11 LEU 55 1HD1 LEU 55 1.964 4.846 -6.573 468 HD12 LEU 55 2HD1 LEU 55 1.649 3.411 -5.600 469 HD13 LEU 55 3HD1 LEU 55 0.360 4.113 -6.577 470 HD21 LEU 55 3HD2 LEU 55 1.781 3.076 -9.818 471 HD22 LEU 55 1HD2 LEU 55 2.084 4.641 -9.063 472 HD23 LEU 55 2HD2 LEU 55 0.463 3.949 -9.030 473 H LYS 56 H LYS 56 5.544 3.002 -10.151 474 HA LYS 56 HA LYS 56 7.921 1.591 -9.619 475 HB2 LYS 56 2HB LYS 56 7.267 2.931 -11.690 476 HB3 LYS 56 1HB LYS 56 7.610 4.375 -10.778 477 HG2 LYS 56 2HG LYS 56 9.640 2.254 -11.507 478 HG3 LYS 56 1HG LYS 56 9.372 3.745 -12.390 479 HD2 LYS 56 2HD LYS 56 10.031 4.992 -10.323 480 HD3 LYS 56 1HD LYS 56 10.429 3.436 -9.584 481 HE2 LYS 56 2HE LYS 56 11.680 4.606 -12.074 482 HE3 LYS 56 1HE LYS 56 12.428 4.480 -10.485 483 HZ1 LYS 56 3HZ LYS 56 11.603 2.192 -12.198 484 HZ2 LYS 56 1HZ LYS 56 12.307 2.051 -10.681 485 HZ3 LYS 56 2HZ LYS 56 13.177 2.698 -11.941 486 H TRP 57 H TRP 57 6.632 4.638 -8.248 487 HA TRP 57 HA TRP 57 9.084 5.201 -6.896 488 HB2 TRP 57 2HB TRP 57 7.975 6.982 -5.701 489 HB3 TRP 57 1HB TRP 57 7.394 7.006 -7.352 490 HD1 TRP 57 HD TRP 57 4.758 6.859 -7.657 491 HE1 TRP 57 1HE TRP 57 2.771 6.751 -6.002 492 HE3 TRP 57 3HE TRP 57 7.309 5.928 -3.328 493 HZ2 TRP 57 2HZ TRP 57 2.349 6.322 -3.226 494 HZ3 TRP 57 3HZ TRP 57 6.045 5.687 -1.246 495 HH2 TRP 57 HH TRP 57 3.603 5.873 -1.222 496 H ILE 58 H ILE 58 6.307 3.333 -6.077 497 HA ILE 58 HA ILE 58 6.673 3.086 -3.295 498 HB ILE 58 HB ILE 58 5.344 1.450 -5.422 499 HG12 ILE 58 2HG1 ILE 58 4.269 3.469 -4.447 500 HG13 ILE 58 1HG1 ILE 58 3.292 2.026 -4.254 501 HG21 ILE 58 1HG2 ILE 58 5.575 0.525 -2.580 502 HG22 ILE 58 2HG2 ILE 58 6.286 -0.241 -4.001 503 HG23 ILE 58 3HG2 ILE 58 4.530 -0.183 -3.816 504 HD11 ILE 58 3HD1 ILE 58 5.026 3.290 -2.163 505 HD12 ILE 58 1HD1 ILE 58 4.095 1.809 -1.963 506 HD13 ILE 58 2HD1 ILE 58 3.276 3.343 -2.260 507 H GLN 59 H GLN 59 7.709 1.042 -5.936 508 HA GLN 59 HA GLN 59 9.009 -0.681 -4.153 509 HB2 GLN 59 2HB GLN 59 9.783 -1.883 -6.225 510 HB3 GLN 59 1HB GLN 59 8.050 -1.619 -6.067 511 HG2 GLN 59 2HG GLN 59 8.255 0.281 -7.617 512 HG3 GLN 59 1HG GLN 59 9.949 -0.152 -7.858 513 HE21 GLN 59 1HE2 GLN 59 7.397 -2.484 -7.341 514 HE22 GLN 59 2HE2 GLN 59 7.436 -3.179 -8.891 515 H GLU 60 H GLU 60 10.024 2.013 -6.032 516 HA GLU 60 HA GLU 60 12.784 1.453 -5.615 517 HB2 GLU 60 2HB GLU 60 12.100 2.688 -7.610 518 HB3 GLU 60 1HB GLU 60 11.391 3.943 -6.615 519 HG2 GLU 60 2HG GLU 60 13.609 4.550 -5.805 520 HG3 GLU 60 1HG GLU 60 14.293 3.257 -6.794 521 H TYR 61 H TYR 61 10.411 2.741 -3.715 522 HA TYR 61 HA TYR 61 12.396 4.189 -2.155 523 HB2 TYR 61 2HB TYR 61 10.572 5.606 -2.778 524 HB3 TYR 61 1HB TYR 61 9.398 4.427 -2.215 525 HD1 TYR 61 2HD TYR 61 12.385 6.137 -0.827 526 HD2 TYR 61 1HD TYR 61 8.346 4.990 -0.312 527 HE1 TYR 61 2HE TYR 61 12.396 7.211 1.388 528 HE2 TYR 61 1HE TYR 61 8.314 6.043 1.927 529 HH TYR 61 HH TYR 61 10.863 8.113 2.934 530 H LEU 62 H LEU 62 9.503 2.233 -1.578 531 HA LEU 62 HA LEU 62 10.295 1.744 1.091 532 HB2 LEU 62 2HB LEU 62 7.969 1.578 -0.395 533 HB3 LEU 62 1HB LEU 62 8.431 -0.057 -0.180 534 HG LEU 62 HG LEU 62 6.839 0.733 1.568 535 HD11 LEU 62 1HD1 LEU 62 8.228 -1.265 1.943 536 HD12 LEU 62 2HD1 LEU 62 7.994 -0.363 3.439 537 HD13 LEU 62 3HD1 LEU 62 9.524 -0.245 2.566 538 HD21 LEU 62 3HD2 LEU 62 9.236 2.226 2.549 539 HD22 LEU 62 1HD2 LEU 62 7.693 2.083 3.391 540 HD23 LEU 62 2HD2 LEU 62 7.797 2.945 1.839 541 H GLU 63 H GLU 63 10.890 0.249 -1.905 542 HA GLU 63 HA GLU 63 11.626 -2.190 -0.484 543 HB2 GLU 63 2HB GLU 63 10.961 -1.827 -3.390 544 HB3 GLU 63 1HB GLU 63 11.783 -3.266 -2.812 545 HG2 GLU 63 2HG GLU 63 9.107 -2.301 -1.811 546 HG3 GLU 63 1HG GLU 63 9.334 -3.541 -3.044 547 H LYS 64 H LYS 64 12.958 0.408 -2.234 548 HA LYS 64 HA LYS 64 15.465 -1.046 -2.344 549 HB2 LYS 64 2HB LYS 64 14.756 -0.105 -4.481 550 HB3 LYS 64 1HB LYS 64 14.655 1.491 -3.772 551 HG2 LYS 64 2HG LYS 64 16.640 1.274 -5.150 552 HG3 LYS 64 1HG LYS 64 17.084 1.502 -3.458 553 HD2 LYS 64 2HD LYS 64 17.512 -0.874 -3.217 554 HD3 LYS 64 1HD LYS 64 16.969 -1.168 -4.867 555 HE2 LYS 64 2HE LYS 64 19.355 0.490 -4.047 556 HE3 LYS 64 1HE LYS 64 19.414 -1.139 -4.707 557 HZ1 LYS 64 3HZ LYS 64 19.863 0.478 -6.417 558 HZ2 LYS 64 1HZ LYS 64 18.409 1.279 -6.136 559 HZ3 LYS 64 2HZ LYS 64 18.392 -0.278 -6.755 560 H ALA 65 H ALA 65 13.922 1.649 -0.814 561 HA ALA 65 HA ALA 65 16.534 2.471 0.271 562 HB1 ALA 65 1HB ALA 65 15.135 4.287 -0.647 563 HB2 ALA 65 2HB ALA 65 15.456 4.508 1.073 564 HB3 ALA 65 3HB ALA 65 13.891 3.909 0.542 565 H LEU 66 H LEU 66 13.353 1.461 1.311 566 HA LEU 66 HA LEU 66 14.174 1.411 4.091 567 HB2 LEU 66 2HB LEU 66 11.691 0.753 2.642 568 HB3 LEU 66 1HB LEU 66 11.821 0.174 4.262 569 HG LEU 66 HG LEU 66 10.533 2.231 4.262 570 HD11 LEU 66 1HD1 LEU 66 11.810 3.702 5.708 571 HD12 LEU 66 2HD1 LEU 66 13.294 2.863 5.269 572 HD13 LEU 66 3HD1 LEU 66 12.026 2.010 6.150 573 HD21 LEU 66 3HD2 LEU 66 11.402 4.362 3.403 574 HD22 LEU 66 1HD2 LEU 66 11.275 3.165 2.116 575 HD23 LEU 66 2HD2 LEU 66 12.845 3.536 2.820 576 H ASN 67 H ASN 67 13.469 -0.887 1.618 577 HA ASN 67 HA ASN 67 13.871 -3.078 3.460 578 HB2 ASN 67 2HB ASN 67 12.071 -2.870 1.649 579 HB3 ASN 67 1HB ASN 67 13.364 -3.156 0.522 580 HD21 ASN 67 1HD2 ASN 67 11.008 -4.567 1.304 581 HD22 ASN 67 2HD2 ASN 67 11.471 -6.221 1.605 582 H LYS 68 H LYS 68 15.124 -2.027 0.356 583 HA LYS 68 HA LYS 68 17.009 -2.303 -0.762 584 HB2 LYS 68 2HB LYS 68 17.817 -0.769 0.980 585 HB3 LYS 68 1HB LYS 68 18.289 -2.141 1.973 586 HG2 LYS 68 2HG LYS 68 19.918 -2.819 0.327 587 HG3 LYS 68 1HG LYS 68 19.399 -1.526 -0.752 588 HD2 LYS 68 2HD LYS 68 20.115 0.133 0.904 589 HD3 LYS 68 1HD LYS 68 20.640 -1.172 1.973 590 HE2 LYS 68 2HE LYS 68 22.236 -1.922 0.345 591 HE3 LYS 68 1HE LYS 68 21.674 -0.720 -0.809 592 HZ1 LYS 68 3HZ LYS 68 22.981 -0.145 1.794 593 HZ2 LYS 68 1HZ LYS 68 22.455 1.014 0.683 594 HZ3 LYS 68 2HZ LYS 68 23.705 -0.035 0.282 Start of MODEL 2 1 H1 LYS 1 1HT LYS 1 -26.531 -6.758 5.491 2 H2 LYS 1 2HT LYS 1 -25.242 -7.704 6.086 3 H3 LYS 1 3HT LYS 1 -26.751 -8.397 5.828 4 HA LYS 1 HA LYS 1 -26.574 -8.091 3.491 5 HB2 LYS 1 2HB LYS 1 -23.824 -7.003 4.167 6 HB3 LYS 1 1HB LYS 1 -24.373 -7.348 2.553 7 HG2 LYS 1 2HG LYS 1 -26.067 -5.621 2.738 8 HG3 LYS 1 1HG LYS 1 -25.532 -5.283 4.391 9 HD2 LYS 1 2HD LYS 1 -24.526 -3.670 2.881 10 HD3 LYS 1 1HD LYS 1 -23.316 -4.786 3.533 11 HE2 LYS 1 2HE LYS 1 -23.296 -6.041 1.463 12 HE3 LYS 1 1HE LYS 1 -24.578 -5.025 0.804 13 HZ1 LYS 1 2HZ LYS 1 -22.339 -4.418 0.025 14 HZ2 LYS 1 3HZ LYS 1 -21.877 -4.077 1.591 15 HZ3 LYS 1 1HZ LYS 1 -23.074 -3.144 0.859 16 HA PRO 2 HA PRO 2 -24.707 -12.143 4.124 17 HB2 PRO 2 2HB PRO 2 -25.096 -12.478 1.217 18 HB3 PRO 2 1HB PRO 2 -25.780 -13.434 2.537 19 HG2 PRO 2 2HG PRO 2 -27.296 -11.776 1.047 20 HG3 PRO 2 1HG PRO 2 -27.611 -12.061 2.765 21 HD2 PRO 2 2HD PRO 2 -26.295 -9.726 1.441 22 HD3 PRO 2 1HD PRO 2 -27.417 -9.769 2.820 23 H VAL 3 H VAL 3 -22.582 -11.948 4.359 24 HA VAL 3 HA VAL 3 -20.913 -10.232 2.977 25 HB VAL 3 HB VAL 3 -20.079 -12.696 4.531 26 HG11 VAL 3 1HG1 VAL 3 -18.266 -11.897 3.100 27 HG12 VAL 3 2HG1 VAL 3 -17.916 -11.558 4.794 28 HG13 VAL 3 3HG1 VAL 3 -18.470 -10.264 3.734 29 HG21 VAL 3 3HG2 VAL 3 -19.742 -11.122 6.382 30 HG22 VAL 3 1HG2 VAL 3 -21.423 -11.143 5.854 31 HG23 VAL 3 2HG2 VAL 3 -20.367 -9.814 5.377 32 H SER 4 H SER 4 -20.530 -10.235 0.963 33 HA SER 4 HA SER 4 -19.694 -12.704 -0.369 34 HB2 SER 4 2HB SER 4 -21.129 -10.324 -1.551 35 HB3 SER 4 1HB SER 4 -20.699 -11.819 -2.387 36 HG SER 4 HG SER 4 -22.360 -11.698 -0.109 37 H LEU 5 H LEU 5 -17.915 -12.471 -1.682 38 HA LEU 5 HA LEU 5 -15.938 -11.730 -2.393 39 HB2 LEU 5 2HB LEU 5 -17.176 -9.963 -3.567 40 HB3 LEU 5 1HB LEU 5 -17.113 -8.992 -2.095 41 HG LEU 5 HG LEU 5 -14.680 -8.830 -2.294 42 HD11 LEU 5 1HD1 LEU 5 -14.198 -10.889 -3.454 43 HD12 LEU 5 2HD1 LEU 5 -13.551 -9.527 -4.363 44 HD13 LEU 5 3HD1 LEU 5 -15.037 -10.314 -4.892 45 HD21 LEU 5 3HD2 LEU 5 -16.053 -7.072 -3.254 46 HD22 LEU 5 1HD2 LEU 5 -16.152 -7.949 -4.781 47 HD23 LEU 5 2HD2 LEU 5 -14.604 -7.318 -4.227 48 H SER 6 H SER 6 -14.953 -12.514 -0.687 49 HA SER 6 HA SER 6 -14.412 -10.783 1.568 50 HB2 SER 6 2HB SER 6 -13.800 -13.641 0.964 51 HB3 SER 6 1HB SER 6 -13.505 -12.849 2.533 52 HG SER 6 HG SER 6 -15.590 -12.885 2.944 53 H TYR 7 H TYR 7 -12.246 -10.322 2.089 54 HA TYR 7 HA TYR 7 -10.566 -10.113 -0.232 55 HB2 TYR 7 2HB TYR 7 -9.076 -8.769 1.182 56 HB3 TYR 7 1HB TYR 7 -10.734 -8.204 1.329 57 HD1 TYR 7 1HD TYR 7 -11.967 -8.565 3.463 58 HD2 TYR 7 2HD TYR 7 -7.895 -9.715 3.036 59 HE1 TYR 7 1HE TYR 7 -11.758 -8.756 5.912 60 HE2 TYR 7 2HE TYR 7 -7.680 -9.905 5.465 61 HH TYR 7 HH TYR 7 -8.721 -9.062 7.432 62 H ARG 8 H ARG 8 -8.904 -11.448 -0.757 63 HA ARG 8 HA ARG 8 -8.255 -13.551 1.084 64 HB2 ARG 8 2HB ARG 8 -8.552 -14.146 -1.252 65 HB3 ARG 8 1HB ARG 8 -7.362 -12.953 -1.745 66 HG2 ARG 8 2HG ARG 8 -6.495 -15.205 -1.838 67 HG3 ARG 8 1HG ARG 8 -5.638 -14.192 -0.662 68 HD2 ARG 8 2HD ARG 8 -6.840 -15.196 1.155 69 HD3 ARG 8 1HD ARG 8 -7.839 -16.132 0.043 70 HE ARG 8 HE ARG 8 -5.488 -17.016 -0.632 71 HH11 ARG 8 1HH1 ARG 8 -6.637 -16.320 2.619 72 HH12 ARG 8 2HH1 ARG 8 -5.820 -17.596 3.371 73 HH21 ARG 8 1HH2 ARG 8 -4.333 -18.835 0.394 74 HH22 ARG 8 2HH2 ARG 8 -4.493 -19.085 2.065 75 H CYS 9 H CYS 9 -7.032 -10.842 -0.354 76 HA CYS 9 HA CYS 9 -4.609 -10.874 1.336 77 HB2 CYS 9 2HB CYS 9 -5.220 -9.062 -1.016 78 HB3 CYS 9 1HB CYS 9 -3.666 -9.313 -0.238 79 HA PRO 10 HA PRO 10 -6.699 -7.724 3.883 80 HB2 PRO 10 2HB PRO 10 -4.301 -6.120 4.042 81 HB3 PRO 10 1HB PRO 10 -5.014 -7.129 5.300 82 HG2 PRO 10 2HG PRO 10 -2.745 -7.691 3.537 83 HG3 PRO 10 1HG PRO 10 -3.227 -8.506 5.023 84 HD2 PRO 10 2HD PRO 10 -3.431 -9.608 2.531 85 HD3 PRO 10 1HD PRO 10 -4.461 -10.085 3.891 86 H CYS 11 H CYS 11 -4.362 -6.630 1.502 87 HA CYS 11 HA CYS 11 -6.155 -4.485 0.774 88 HB2 CYS 11 2HB CYS 11 -3.338 -5.079 -0.124 89 HB3 CYS 11 1HB CYS 11 -4.322 -3.767 -0.773 90 H ARG 12 H ARG 12 -7.765 -5.578 -0.092 91 HA ARG 12 HA ARG 12 -7.360 -7.269 -2.422 92 HB2 ARG 12 2HB ARG 12 -9.242 -7.393 -0.561 93 HB3 ARG 12 1HB ARG 12 -9.987 -6.096 -1.464 94 HG2 ARG 12 2HG ARG 12 -9.397 -8.864 -2.536 95 HG3 ARG 12 1HG ARG 12 -10.956 -8.303 -1.962 96 HD2 ARG 12 2HD ARG 12 -11.048 -6.692 -3.787 97 HD3 ARG 12 1HD ARG 12 -9.438 -7.188 -4.320 98 HE ARG 12 HE ARG 12 -11.091 -9.434 -4.168 99 HH11 ARG 12 1HH1 ARG 12 -10.659 -6.546 -6.206 100 HH12 ARG 12 2HH1 ARG 12 -11.311 -7.272 -7.595 101 HH21 ARG 12 1HH2 ARG 12 -11.999 -10.399 -6.129 102 HH22 ARG 12 2HH2 ARG 12 -12.094 -9.469 -7.546 103 H PHE 13 H PHE 13 -7.817 -4.051 -1.467 104 HA PHE 13 HA PHE 13 -8.598 -3.061 -4.105 105 HB2 PHE 13 2HB PHE 13 -8.436 -1.618 -1.450 106 HB3 PHE 13 1HB PHE 13 -9.190 -1.031 -2.928 107 HD1 PHE 13 2HD PHE 13 -11.363 -1.898 -3.624 108 HD2 PHE 13 1HD PHE 13 -9.529 -3.181 -0.008 109 HE1 PHE 13 2HE PHE 13 -13.510 -2.829 -2.851 110 HE2 PHE 13 1HE PHE 13 -11.664 -4.113 0.760 111 HZ PHE 13 HZ PHE 13 -13.658 -3.940 -0.665 112 H PHE 14 H PHE 14 -7.264 -1.460 -5.034 113 HA PHE 14 HA PHE 14 -4.851 -0.645 -3.667 114 HB2 PHE 14 2HB PHE 14 -4.839 -1.964 -6.389 115 HB3 PHE 14 1HB PHE 14 -3.516 -0.993 -5.767 116 HD1 PHE 14 2HD PHE 14 -2.673 -1.713 -3.400 117 HD2 PHE 14 1HD PHE 14 -4.747 -4.230 -6.103 118 HE1 PHE 14 2HE PHE 14 -1.712 -3.652 -2.291 119 HE2 PHE 14 1HE PHE 14 -3.793 -6.205 -4.994 120 HZ PHE 14 HZ PHE 14 -2.268 -5.924 -3.083 121 H GLU 15 H GLU 15 -4.312 1.385 -4.087 122 HA GLU 15 HA GLU 15 -5.886 2.839 -6.089 123 HB2 GLU 15 2HB GLU 15 -6.062 3.168 -3.472 124 HB3 GLU 15 1HB GLU 15 -4.565 4.036 -3.636 125 HG2 GLU 15 2HG GLU 15 -7.214 4.719 -4.896 126 HG3 GLU 15 1HG GLU 15 -6.395 5.582 -3.600 127 H SER 16 H SER 16 -4.607 4.245 -7.479 128 HA SER 16 HA SER 16 -1.686 3.814 -7.293 129 HB2 SER 16 2HB SER 16 -3.349 4.039 -9.795 130 HB3 SER 16 1HB SER 16 -1.597 3.858 -9.733 131 HG SER 16 HG SER 16 -3.396 2.045 -8.537 132 H HIS 17 H HIS 17 -3.776 6.240 -6.745 133 HA HIS 17 HA HIS 17 -2.372 8.231 -8.370 134 HB2 HIS 17 2HB HIS 17 -4.833 8.500 -6.633 135 HB3 HIS 17 1HB HIS 17 -4.165 9.775 -7.631 136 HD1 HIS 17 1HD HIS 17 -7.055 8.308 -7.769 137 HD2 HIS 17 2HD HIS 17 -3.859 7.826 -10.381 138 HE1 HIS 17 1HE HIS 17 -8.065 7.517 -9.935 139 HE2 HIS 17 2HE HIS 17 -6.111 7.096 -11.447 140 H VAL 18 H VAL 18 -2.217 6.771 -5.433 141 HA VAL 18 HA VAL 18 -1.788 8.662 -3.520 142 HB VAL 18 HB VAL 18 -0.289 6.056 -3.846 143 HG11 VAL 18 1HG1 VAL 18 0.644 7.509 -2.138 144 HG12 VAL 18 2HG1 VAL 18 -0.126 6.092 -1.421 145 HG13 VAL 18 3HG1 VAL 18 -0.945 7.650 -1.391 146 HG21 VAL 18 3HG2 VAL 18 -2.952 6.583 -2.525 147 HG22 VAL 18 1HG2 VAL 18 -2.073 5.055 -2.485 148 HG23 VAL 18 2HG2 VAL 18 -2.689 5.676 -4.014 149 H ALA 19 H ALA 19 -0.262 10.105 -3.132 150 HA ALA 19 HA ALA 19 2.245 10.077 -4.676 151 HB1 ALA 19 1HB ALA 19 0.812 12.060 -4.952 152 HB2 ALA 19 2HB ALA 19 2.344 12.472 -4.180 153 HB3 ALA 19 3HB ALA 19 0.869 12.336 -3.221 154 H ARG 20 H ARG 20 4.147 9.954 -3.551 155 HA ARG 20 HA ARG 20 4.047 8.960 -0.914 156 HB2 ARG 20 2HB ARG 20 5.827 8.365 -2.509 157 HB3 ARG 20 1HB ARG 20 6.468 9.992 -2.411 158 HG2 ARG 20 2HG ARG 20 7.053 9.623 -0.027 159 HG3 ARG 20 1HG ARG 20 6.300 8.040 -0.119 160 HD2 ARG 20 2HD ARG 20 8.711 7.889 -0.299 161 HD3 ARG 20 1HD ARG 20 7.911 7.327 -1.762 162 HE ARG 20 HE ARG 20 8.932 10.057 -1.617 163 HH11 ARG 20 1HH1 ARG 20 9.083 6.816 -3.126 164 HH12 ARG 20 2HH1 ARG 20 10.223 7.314 -4.281 165 HH21 ARG 20 1HH2 ARG 20 10.494 10.656 -3.253 166 HH22 ARG 20 2HH2 ARG 20 11.021 9.478 -4.380 167 H ALA 21 H ALA 21 4.452 12.099 -2.242 168 HA ALA 21 HA ALA 21 5.452 13.413 0.047 169 HB1 ALA 21 1HB ALA 21 4.769 15.474 -1.085 170 HB2 ALA 21 2HB ALA 21 3.830 14.527 -2.239 171 HB3 ALA 21 3HB ALA 21 5.586 14.377 -2.197 172 H ASN 22 H ASN 22 2.345 12.183 -0.743 173 HA ASN 22 HA ASN 22 1.041 13.787 1.351 174 HB2 ASN 22 2HB ASN 22 0.010 13.880 -0.911 175 HB3 ASN 22 1HB ASN 22 -0.189 12.136 -0.882 176 HD21 ASN 22 1HD2 ASN 22 -2.379 12.278 -1.133 177 HD22 ASN 22 2HD2 ASN 22 -3.462 12.829 0.088 178 H VAL 23 H VAL 23 2.568 10.931 0.936 179 HA VAL 23 HA VAL 23 0.772 9.300 2.536 180 HB VAL 23 HB VAL 23 3.566 8.696 1.505 181 HG11 VAL 23 1HG1 VAL 23 3.104 6.405 2.090 182 HG12 VAL 23 2HG1 VAL 23 1.534 6.851 2.766 183 HG13 VAL 23 3HG1 VAL 23 3.027 7.423 3.525 184 HG21 VAL 23 3HG2 VAL 23 1.914 8.908 -0.277 185 HG22 VAL 23 1HG2 VAL 23 0.883 7.741 0.535 186 HG23 VAL 23 2HG2 VAL 23 2.447 7.243 -0.104 187 H LYS 24 H LYS 24 0.860 9.267 4.694 188 HA LYS 24 HA LYS 24 2.788 10.875 6.045 189 HB2 LYS 24 2HB LYS 24 0.376 10.608 6.850 190 HB3 LYS 24 1HB LYS 24 0.777 8.924 7.187 191 HG2 LYS 24 2HG LYS 24 2.063 9.614 8.915 192 HG3 LYS 24 1HG LYS 24 2.079 11.296 8.339 193 HD2 LYS 24 2HD LYS 24 -0.376 11.360 8.545 194 HD3 LYS 24 1HD LYS 24 -0.323 9.741 9.255 195 HE2 LYS 24 2HE LYS 24 1.066 10.452 10.841 196 HE3 LYS 24 1HE LYS 24 1.127 12.112 10.226 197 HZ1 LYS 24 3HZ LYS 24 -1.293 12.276 10.592 198 HZ2 LYS 24 1HZ LYS 24 -0.495 12.031 12.047 199 HZ3 LYS 24 2HZ LYS 24 -1.327 10.756 11.314 200 H ARG 25 H ARG 25 1.918 7.495 6.116 201 HA ARG 25 HA ARG 25 4.709 6.699 6.126 202 HB2 ARG 25 2HB ARG 25 4.139 6.972 8.516 203 HB3 ARG 25 1HB ARG 25 2.794 5.872 8.320 204 HG2 ARG 25 2HG ARG 25 4.661 4.730 9.388 205 HG3 ARG 25 1HG ARG 25 4.352 4.039 7.799 206 HD2 ARG 25 2HD ARG 25 6.206 5.291 6.860 207 HD3 ARG 25 1HD ARG 25 6.486 6.088 8.408 208 HE ARG 25 HE ARG 25 6.640 3.370 8.872 209 HH11 ARG 25 1HH1 ARG 25 8.386 5.690 6.844 210 HH12 ARG 25 2HH1 ARG 25 9.896 4.936 7.011 211 HH21 ARG 25 1HH2 ARG 25 8.733 2.300 9.088 212 HH22 ARG 25 2HH2 ARG 25 10.096 2.950 8.320 213 H LEU 26 H LEU 26 4.948 4.761 5.006 214 HA LEU 26 HA LEU 26 2.479 3.298 4.494 215 HB2 LEU 26 2HB LEU 26 3.090 2.802 2.268 216 HB3 LEU 26 1HB LEU 26 3.114 4.531 2.449 217 HG LEU 26 HG LEU 26 5.632 2.872 2.545 218 HD11 LEU 26 1HD1 LEU 26 5.893 3.363 0.187 219 HD12 LEU 26 2HD1 LEU 26 4.303 4.142 0.176 220 HD13 LEU 26 3HD1 LEU 26 4.436 2.409 0.496 221 HD21 LEU 26 3HD2 LEU 26 5.129 5.764 1.828 222 HD22 LEU 26 1HD2 LEU 26 6.667 4.905 1.802 223 HD23 LEU 26 2HD2 LEU 26 5.840 5.181 3.347 224 H LYS 27 H LYS 27 2.825 1.123 3.843 225 HA LYS 27 HA LYS 27 5.373 -0.070 4.599 226 HB2 LYS 27 2HB LYS 27 2.691 -0.903 5.696 227 HB3 LYS 27 1HB LYS 27 4.170 -1.836 5.854 228 HG2 LYS 27 2HG LYS 27 5.167 -0.167 7.181 229 HG3 LYS 27 1HG LYS 27 3.828 0.932 6.830 230 HD2 LYS 27 2HD LYS 27 2.305 -0.626 7.990 231 HD3 LYS 27 1HD LYS 27 3.679 -1.665 8.375 232 HE2 LYS 27 2HE LYS 27 4.685 0.136 9.662 233 HE3 LYS 27 1HE LYS 27 3.331 1.194 9.258 234 HZ1 LYS 27 3HZ LYS 27 1.857 -0.313 10.426 235 HZ2 LYS 27 1HZ LYS 27 3.074 0.238 11.450 236 HZ3 LYS 27 2HZ LYS 27 3.145 -1.322 10.821 237 H ILE 28 H ILE 28 5.699 -1.931 3.652 238 HA ILE 28 HA ILE 28 3.716 -2.834 1.672 239 HB ILE 28 HB ILE 28 6.741 -3.171 1.521 240 HG12 ILE 28 2HG1 ILE 28 4.809 -1.608 -0.208 241 HG13 ILE 28 1HG1 ILE 28 6.072 -0.965 0.825 242 HG21 ILE 28 1HG2 ILE 28 4.641 -4.255 -0.362 243 HG22 ILE 28 2HG2 ILE 28 5.696 -5.206 0.697 244 HG23 ILE 28 3HG2 ILE 28 6.381 -4.273 -0.639 245 HD11 ILE 28 3HD1 ILE 28 6.735 -0.877 -1.500 246 HD12 ILE 28 1HD1 ILE 28 6.473 -2.611 -1.662 247 HD13 ILE 28 2HD1 ILE 28 7.763 -2.009 -0.621 248 H LEU 29 H LEU 29 2.706 -4.448 2.421 249 HA LEU 29 HA LEU 29 3.947 -6.165 4.392 250 HB2 LEU 29 2HB LEU 29 1.700 -5.133 4.774 251 HB3 LEU 29 1HB LEU 29 1.118 -6.024 3.387 252 HG LEU 29 HG LEU 29 1.538 -8.142 4.578 253 HD11 LEU 29 1HD1 LEU 29 2.022 -8.104 6.969 254 HD12 LEU 29 2HD1 LEU 29 2.251 -6.358 6.891 255 HD13 LEU 29 3HD1 LEU 29 3.347 -7.429 6.021 256 HD21 LEU 29 3HD2 LEU 29 -0.178 -6.166 6.083 257 HD22 LEU 29 1HD2 LEU 29 -0.299 -7.923 6.182 258 HD23 LEU 29 2HD2 LEU 29 -0.667 -7.098 4.669 259 H ASN 30 H ASN 30 5.043 -7.752 3.525 260 HA ASN 30 HA ASN 30 4.236 -9.035 1.019 261 HB2 ASN 30 2HB ASN 30 6.615 -9.584 2.834 262 HB3 ASN 30 1HB ASN 30 6.366 -10.243 1.228 263 HD21 ASN 30 1HD2 ASN 30 6.736 -8.926 -0.537 264 HD22 ASN 30 2HD2 ASN 30 7.606 -7.451 -0.446 265 H THR 31 H THR 31 2.579 -10.381 1.450 266 HA THR 31 HA THR 31 2.633 -11.771 3.966 267 HB THR 31 HB THR 31 0.271 -12.435 3.409 268 HG1 THR 31 1HG THR 31 -0.564 -10.938 1.694 269 HG21 THR 31 3HG2 THR 31 0.849 -9.489 3.288 270 HG22 THR 31 1HG2 THR 31 0.800 -10.436 4.776 271 HG23 THR 31 2HG2 THR 31 -0.662 -10.232 3.808 272 HA PRO 32 HA PRO 32 3.788 -15.666 2.070 273 HB2 PRO 32 2HB PRO 32 2.112 -17.000 4.099 274 HB3 PRO 32 1HB PRO 32 3.850 -17.135 3.830 275 HG2 PRO 32 2HG PRO 32 2.855 -15.837 5.960 276 HG3 PRO 32 1HG PRO 32 4.332 -15.301 5.144 277 HD2 PRO 32 2HD PRO 32 1.566 -14.172 4.972 278 HD3 PRO 32 1HD PRO 32 3.140 -13.354 5.015 279 H ASN 33 H ASN 33 0.487 -14.954 2.860 280 HA ASN 33 HA ASN 33 -0.624 -17.094 1.241 281 HB2 ASN 33 2HB ASN 33 -2.838 -16.210 1.825 282 HB3 ASN 33 1HB ASN 33 -1.841 -16.320 3.269 283 HD21 ASN 33 1HD2 ASN 33 -1.103 -14.398 4.238 284 HD22 ASN 33 2HD2 ASN 33 -1.814 -12.880 3.837 285 H CYS 34 H CYS 34 -0.252 -13.593 0.936 286 HA CYS 34 HA CYS 34 -1.237 -13.747 -1.843 287 HB2 CYS 34 2HB CYS 34 -2.357 -12.182 0.003 288 HB3 CYS 34 1HB CYS 34 -0.860 -11.333 -0.101 289 H ALA 35 H ALA 35 0.089 -10.995 -2.100 290 HA ALA 35 HA ALA 35 2.873 -11.819 -1.944 291 HB1 ALA 35 1HB ALA 35 1.650 -10.410 -4.313 292 HB2 ALA 35 2HB ALA 35 2.142 -12.101 -4.260 293 HB3 ALA 35 3HB ALA 35 3.352 -10.825 -4.104 294 H LEU 36 H LEU 36 1.331 -8.884 -3.185 295 HA LEU 36 HA LEU 36 2.861 -7.434 -1.145 296 HB2 LEU 36 2HB LEU 36 2.296 -6.640 -3.983 297 HB3 LEU 36 1HB LEU 36 3.037 -5.602 -2.785 298 HG LEU 36 HG LEU 36 4.207 -8.173 -3.847 299 HD11 LEU 36 1HD1 LEU 36 4.946 -5.298 -4.281 300 HD12 LEU 36 2HD1 LEU 36 4.214 -6.375 -5.480 301 HD13 LEU 36 3HD1 LEU 36 5.849 -6.692 -4.872 302 HD21 LEU 36 3HD2 LEU 36 4.840 -7.766 -1.541 303 HD22 LEU 36 1HD2 LEU 36 5.312 -6.117 -1.952 304 HD23 LEU 36 2HD2 LEU 36 6.201 -7.485 -2.621 305 H GLN 37 H GLN 37 1.633 -6.456 0.246 306 HA GLN 37 HA GLN 37 -0.732 -5.117 -0.814 307 HB2 GLN 37 2HB GLN 37 -0.339 -6.268 1.979 308 HB3 GLN 37 1HB GLN 37 -1.654 -5.203 1.539 309 HG2 GLN 37 2HG GLN 37 -2.708 -7.239 1.469 310 HG3 GLN 37 1HG GLN 37 -2.197 -7.101 -0.196 311 HE21 GLN 37 1HE2 GLN 37 0.621 -7.929 0.505 312 HE22 GLN 37 2HE2 GLN 37 0.510 -9.605 0.819 313 H ILE 38 H ILE 38 -0.539 -2.937 -0.619 314 HA ILE 38 HA ILE 38 1.599 -1.970 1.163 315 HB ILE 38 HB ILE 38 0.744 -0.737 -1.470 316 HG12 ILE 38 2HG1 ILE 38 3.154 -2.478 -0.890 317 HG13 ILE 38 1HG1 ILE 38 1.756 -2.942 -1.837 318 HG21 ILE 38 1HG2 ILE 38 3.148 -0.256 0.317 319 HG22 ILE 38 2HG2 ILE 38 1.758 0.806 0.150 320 HG23 ILE 38 3HG2 ILE 38 2.833 0.543 -1.226 321 HD11 ILE 38 3HD1 ILE 38 3.629 -0.711 -2.506 322 HD12 ILE 38 1HD1 ILE 38 2.271 -1.253 -3.486 323 HD13 ILE 38 2HD1 ILE 38 3.661 -2.319 -3.221 324 H VAL 39 H VAL 39 1.120 -0.013 2.258 325 HA VAL 39 HA VAL 39 -1.668 0.863 1.981 326 HB VAL 39 HB VAL 39 -1.860 1.144 4.425 327 HG11 VAL 39 1HG1 VAL 39 -2.852 -0.803 3.337 328 HG12 VAL 39 2HG1 VAL 39 -2.248 -1.251 4.935 329 HG13 VAL 39 3HG1 VAL 39 -1.334 -1.684 3.488 330 HG21 VAL 39 3HG2 VAL 39 -0.313 -0.100 5.912 331 HG22 VAL 39 1HG2 VAL 39 0.494 1.203 5.036 332 HG23 VAL 39 2HG2 VAL 39 0.695 -0.467 4.513 333 H ALA 40 H ALA 40 -2.087 2.992 2.095 334 HA ALA 40 HA ALA 40 0.126 4.798 2.841 335 HB1 ALA 40 1HB ALA 40 -1.929 5.209 0.673 336 HB2 ALA 40 2HB ALA 40 -0.252 4.800 0.382 337 HB3 ALA 40 3HB ALA 40 -0.670 6.329 1.126 338 H ARG 41 H ARG 41 -0.554 5.757 4.714 339 HA ARG 41 HA ARG 41 -3.309 6.636 4.658 340 HB2 ARG 41 2HB ARG 41 -2.757 5.644 6.808 341 HB3 ARG 41 1HB ARG 41 -1.370 6.732 6.956 342 HG2 ARG 41 2HG ARG 41 -2.666 8.518 7.449 343 HG3 ARG 41 1HG ARG 41 -4.099 7.859 6.665 344 HD2 ARG 41 2HD ARG 41 -4.285 7.882 9.142 345 HD3 ARG 41 1HD ARG 41 -4.402 6.270 8.457 346 HE ARG 41 HE ARG 41 -1.749 6.963 9.273 347 HH11 ARG 41 1HH1 ARG 41 -4.883 5.681 10.415 348 HH12 ARG 41 2HH1 ARG 41 -4.174 4.838 11.711 349 HH21 ARG 41 1HH2 ARG 41 -0.860 5.817 11.065 350 HH22 ARG 41 2HH2 ARG 41 -1.874 4.926 12.105 351 H LEU 42 H LEU 42 -3.831 8.368 4.107 352 HA LEU 42 HA LEU 42 -1.901 10.183 2.983 353 HB2 LEU 42 2HB LEU 42 -4.807 10.567 3.404 354 HB3 LEU 42 1HB LEU 42 -3.914 11.635 2.388 355 HG LEU 42 HG LEU 42 -4.975 8.941 1.951 356 HD11 LEU 42 1HD1 LEU 42 -5.401 9.718 -0.332 357 HD12 LEU 42 2HD1 LEU 42 -4.746 11.290 0.138 358 HD13 LEU 42 3HD1 LEU 42 -6.171 10.637 0.948 359 HD21 LEU 42 3HD2 LEU 42 -2.460 9.796 0.502 360 HD22 LEU 42 1HD2 LEU 42 -3.454 8.410 0.058 361 HD23 LEU 42 2HD2 LEU 42 -2.617 8.430 1.609 362 H LYS 43 H LYS 43 -1.138 12.037 3.690 363 HA LYS 43 HA LYS 43 -1.232 12.708 6.445 364 HB2 LYS 43 2HB LYS 43 -0.366 14.448 4.103 365 HB3 LYS 43 1HB LYS 43 0.036 14.725 5.784 366 HG2 LYS 43 2HG LYS 43 1.341 12.795 5.877 367 HG3 LYS 43 1HG LYS 43 0.901 12.382 4.213 368 HD2 LYS 43 2HD LYS 43 1.923 14.340 3.362 369 HD3 LYS 43 1HD LYS 43 2.166 14.989 4.988 370 HE2 LYS 43 2HE LYS 43 3.540 13.287 5.528 371 HE3 LYS 43 1HE LYS 43 3.399 12.453 3.973 372 HZ1 LYS 43 3HZ LYS 43 4.570 15.170 4.422 373 HZ2 LYS 43 1HZ LYS 43 4.360 14.460 2.914 374 HZ3 LYS 43 2HZ LYS 43 5.455 13.801 4.021 375 H ASN 44 H ASN 44 -2.777 13.937 3.568 376 HA ASN 44 HA ASN 44 -4.159 16.018 5.023 377 HB2 ASN 44 2HB ASN 44 -4.197 15.303 2.102 378 HB3 ASN 44 1HB ASN 44 -5.143 16.616 2.797 379 HD21 ASN 44 1HD2 ASN 44 -1.970 15.520 1.864 380 HD22 ASN 44 2HD2 ASN 44 -1.203 17.043 2.061 381 H ASN 45 H ASN 45 -5.119 13.162 3.127 382 HA ASN 45 HA ASN 45 -7.873 13.531 3.754 383 HB2 ASN 45 2HB ASN 45 -7.028 12.202 1.792 384 HB3 ASN 45 1HB ASN 45 -6.603 10.925 2.927 385 HD21 ASN 45 1HD2 ASN 45 -8.398 10.729 0.709 386 HD22 ASN 45 2HD2 ASN 45 -9.954 10.350 1.336 387 H ASN 46 H ASN 46 -5.210 11.814 5.249 388 HA ASN 46 HA ASN 46 -4.907 10.744 7.166 389 HB2 ASN 46 2HB ASN 46 -5.990 12.665 8.291 390 HB3 ASN 46 1HB ASN 46 -7.580 12.011 7.966 391 HD21 ASN 46 1HD2 ASN 46 -8.377 10.404 9.322 392 HD22 ASN 46 2HD2 ASN 46 -7.599 9.951 10.797 393 H ARG 47 H ARG 47 -6.664 9.807 4.879 394 HA ARG 47 HA ARG 47 -7.695 7.420 6.218 395 HB2 ARG 47 2HB ARG 47 -8.198 8.486 3.485 396 HB3 ARG 47 1HB ARG 47 -8.615 6.857 3.896 397 HG2 ARG 47 2HG ARG 47 -10.103 7.753 5.690 398 HG3 ARG 47 1HG ARG 47 -9.760 9.381 5.073 399 HD2 ARG 47 2HD ARG 47 -10.569 8.726 2.872 400 HD3 ARG 47 1HD ARG 47 -10.868 7.100 3.473 401 HE ARG 47 HE ARG 47 -12.276 8.967 5.010 402 HH11 ARG 47 1HH1 ARG 47 -12.268 7.412 1.837 403 HH12 ARG 47 2HH1 ARG 47 -13.937 7.572 1.561 404 HH21 ARG 47 1HH2 ARG 47 -14.597 9.196 4.648 405 HH22 ARG 47 2HH2 ARG 47 -15.293 8.619 3.211 406 H GLN 48 H GLN 48 -7.187 5.426 5.507 407 HA GLN 48 HA GLN 48 -4.596 5.221 4.287 408 HB2 GLN 48 2HB GLN 48 -4.594 4.393 6.424 409 HB3 GLN 48 1HB GLN 48 -6.194 3.710 6.249 410 HG2 GLN 48 2HG GLN 48 -5.358 1.996 4.850 411 HG3 GLN 48 1HG GLN 48 -3.759 2.700 4.788 412 HE21 GLN 48 1HE2 GLN 48 -2.734 0.886 5.778 413 HE22 GLN 48 2HE2 GLN 48 -3.006 0.414 7.405 414 H VAL 49 H VAL 49 -4.536 4.563 2.345 415 HA VAL 49 HA VAL 49 -6.550 2.692 1.353 416 HB VAL 49 HB VAL 49 -6.289 3.696 -0.907 417 HG11 VAL 49 1HG1 VAL 49 -7.589 5.740 -0.529 418 HG12 VAL 49 2HG1 VAL 49 -7.193 5.662 1.187 419 HG13 VAL 49 3HG1 VAL 49 -8.176 4.396 0.447 420 HG21 VAL 49 3HG2 VAL 49 -4.726 5.857 0.516 421 HG22 VAL 49 1HG2 VAL 49 -5.243 5.920 -1.168 422 HG23 VAL 49 2HG2 VAL 49 -4.071 4.706 -0.645 423 H CYS 50 H CYS 50 -5.761 1.057 0.217 424 HA CYS 50 HA CYS 50 -3.019 0.426 0.528 425 HB2 CYS 50 2HB CYS 50 -5.217 -0.939 -0.990 426 HB3 CYS 50 1HB CYS 50 -3.625 -1.622 -0.824 427 H ILE 51 H ILE 51 -1.396 0.400 -0.912 428 HA ILE 51 HA ILE 51 -1.840 2.089 -3.279 429 HB ILE 51 HB ILE 51 0.862 1.231 -2.257 430 HG12 ILE 51 2HG1 ILE 51 -0.668 3.696 -1.403 431 HG13 ILE 51 1HG1 ILE 51 -0.361 2.303 -0.373 432 HG21 ILE 51 1HG2 ILE 51 -0.155 3.580 -3.842 433 HG22 ILE 51 2HG2 ILE 51 0.748 2.208 -4.471 434 HG23 ILE 51 3HG2 ILE 51 1.526 3.357 -3.373 435 HD11 ILE 51 3HD1 ILE 51 1.328 3.931 0.220 436 HD12 ILE 51 1HD1 ILE 51 1.657 4.226 -1.500 437 HD13 ILE 51 2HD1 ILE 51 2.077 2.701 -0.757 438 H ASP 52 H ASP 52 -1.393 1.353 -5.274 439 HA ASP 52 HA ASP 52 -1.155 -1.466 -5.703 440 HB2 ASP 52 2HB ASP 52 -2.501 -0.032 -7.199 441 HB3 ASP 52 1HB ASP 52 -1.053 0.856 -7.628 442 HA PRO 53 HA PRO 53 3.295 -1.436 -5.534 443 HB2 PRO 53 2HB PRO 53 3.820 -3.909 -6.335 444 HB3 PRO 53 1HB PRO 53 3.048 -3.579 -4.788 445 HG2 PRO 53 2HG PRO 53 1.728 -4.384 -7.366 446 HG3 PRO 53 1HG PRO 53 1.470 -5.033 -5.736 447 HD2 PRO 53 2HD PRO 53 -0.188 -3.195 -6.811 448 HD3 PRO 53 1HD PRO 53 0.185 -3.226 -5.078 449 H LYS 54 H LYS 54 1.697 -1.141 -8.440 450 HA LYS 54 HA LYS 54 4.012 -1.751 -10.066 451 HB2 LYS 54 2HB LYS 54 1.437 -0.362 -10.828 452 HB3 LYS 54 1HB LYS 54 2.693 -0.848 -11.956 453 HG2 LYS 54 2HG LYS 54 1.022 -2.708 -10.262 454 HG3 LYS 54 1HG LYS 54 0.778 -2.375 -11.974 455 HD2 LYS 54 2HD LYS 54 2.977 -3.323 -12.467 456 HD3 LYS 54 1HD LYS 54 3.234 -3.630 -10.749 457 HE2 LYS 54 2HE LYS 54 1.306 -5.129 -10.724 458 HE3 LYS 54 1HE LYS 54 1.029 -4.809 -12.434 459 HZ1 LYS 54 3HZ LYS 54 3.454 -6.087 -11.291 460 HZ2 LYS 54 1HZ LYS 54 3.179 -5.806 -12.926 461 HZ3 LYS 54 2HZ LYS 54 2.208 -6.894 -12.084 462 H LEU 55 H LEU 55 2.851 0.873 -8.231 463 HA LEU 55 HA LEU 55 3.946 3.015 -9.709 464 HB2 LEU 55 2HB LEU 55 3.499 2.822 -6.738 465 HB3 LEU 55 1HB LEU 55 3.849 4.300 -7.606 466 HG LEU 55 HG LEU 55 1.361 2.613 -7.845 467 HD11 LEU 55 1HD1 LEU 55 1.814 5.373 -6.731 468 HD12 LEU 55 2HD1 LEU 55 1.468 3.912 -5.807 469 HD13 LEU 55 3HD1 LEU 55 0.253 4.574 -6.899 470 HD21 LEU 55 3HD2 LEU 55 1.936 3.564 -10.003 471 HD22 LEU 55 1HD2 LEU 55 2.121 5.157 -9.266 472 HD23 LEU 55 2HD2 LEU 55 0.532 4.383 -9.314 473 H LYS 56 H LYS 56 5.909 3.659 -10.018 474 HA LYS 56 HA LYS 56 8.103 2.113 -9.269 475 HB2 LYS 56 2HB LYS 56 8.081 3.442 -11.312 476 HB3 LYS 56 1HB LYS 56 8.037 4.913 -10.368 477 HG2 LYS 56 2HG LYS 56 10.288 4.580 -11.140 478 HG3 LYS 56 1HG LYS 56 10.232 4.365 -9.407 479 HD2 LYS 56 2HD LYS 56 11.635 2.666 -10.430 480 HD3 LYS 56 1HD LYS 56 10.219 1.927 -9.690 481 HE2 LYS 56 2HE LYS 56 9.147 1.794 -11.894 482 HE3 LYS 56 1HE LYS 56 10.560 2.546 -12.630 483 HZ1 LYS 56 3HZ LYS 56 10.599 0.139 -12.874 484 HZ2 LYS 56 1HZ LYS 56 10.487 -0.051 -11.208 485 HZ3 LYS 56 2HZ LYS 56 11.874 0.630 -11.883 486 H TRP 57 H TRP 57 6.828 5.138 -7.934 487 HA TRP 57 HA TRP 57 9.134 5.659 -6.394 488 HB2 TRP 57 2HB TRP 57 7.886 7.369 -5.200 489 HB3 TRP 57 1HB TRP 57 7.456 7.443 -6.894 490 HD1 TRP 57 HD TRP 57 4.857 7.378 -7.426 491 HE1 TRP 57 1HE TRP 57 2.727 7.128 -5.952 492 HE3 TRP 57 3HE TRP 57 7.024 6.036 -3.017 493 HZ2 TRP 57 2HZ TRP 57 2.085 6.444 -3.274 494 HZ3 TRP 57 3HZ TRP 57 5.615 5.605 -1.089 495 HH2 TRP 57 HH TRP 57 3.178 5.789 -1.238 496 H ILE 58 H ILE 58 6.555 3.515 -5.935 497 HA ILE 58 HA ILE 58 6.735 3.137 -3.111 498 HB ILE 58 HB ILE 58 5.628 1.585 -5.436 499 HG12 ILE 58 2HG1 ILE 58 4.369 3.503 -4.527 500 HG13 ILE 58 1HG1 ILE 58 3.455 2.020 -4.395 501 HG21 ILE 58 1HG2 ILE 58 5.590 0.544 -2.623 502 HG22 ILE 58 2HG2 ILE 58 6.515 -0.107 -3.978 503 HG23 ILE 58 3HG2 ILE 58 4.751 -0.136 -4.027 504 HD11 ILE 58 3HD1 ILE 58 4.990 3.361 -2.219 505 HD12 ILE 58 1HD1 ILE 58 4.164 1.818 -2.082 506 HD13 ILE 58 2HD1 ILE 58 3.247 3.289 -2.416 507 H GLN 59 H GLN 59 7.928 1.320 -5.889 508 HA GLN 59 HA GLN 59 9.295 -0.465 -4.211 509 HB2 GLN 59 2HB GLN 59 10.208 -1.437 -6.283 510 HB3 GLN 59 1HB GLN 59 8.458 -1.306 -6.232 511 HG2 GLN 59 2HG GLN 59 8.598 0.681 -7.656 512 HG3 GLN 59 1HG GLN 59 10.349 0.475 -7.737 513 HE21 GLN 59 1HE2 GLN 59 8.119 -2.211 -7.661 514 HE22 GLN 59 2HE2 GLN 59 8.390 -2.724 -9.255 515 H GLU 60 H GLU 60 10.216 2.404 -5.988 516 HA GLU 60 HA GLU 60 12.982 1.953 -5.586 517 HB2 GLU 60 2HB GLU 60 12.152 3.218 -7.525 518 HB3 GLU 60 1HB GLU 60 11.457 4.420 -6.463 519 HG2 GLU 60 2HG GLU 60 13.735 5.037 -5.741 520 HG3 GLU 60 1HG GLU 60 14.362 3.851 -6.889 521 H TYR 61 H TYR 61 10.620 2.936 -3.535 522 HA TYR 61 HA TYR 61 12.583 4.325 -1.861 523 HB2 TYR 61 2HB TYR 61 10.752 5.784 -2.336 524 HB3 TYR 61 1HB TYR 61 9.587 4.534 -1.943 525 HD1 TYR 61 2HD TYR 61 12.505 6.100 -0.208 526 HD2 TYR 61 1HD TYR 61 8.438 4.936 -0.069 527 HE1 TYR 61 2HE TYR 61 12.364 6.956 2.112 528 HE2 TYR 61 1HE TYR 61 8.271 5.790 2.271 529 HH TYR 61 HH TYR 61 10.611 7.760 3.675 530 H LEU 62 H LEU 62 9.711 2.276 -1.507 531 HA LEU 62 HA LEU 62 10.465 1.579 1.136 532 HB2 LEU 62 2HB LEU 62 8.161 1.543 -0.396 533 HB3 LEU 62 1HB LEU 62 8.586 -0.120 -0.243 534 HG LEU 62 HG LEU 62 6.982 0.622 1.506 535 HD11 LEU 62 1HD1 LEU 62 8.372 -1.373 1.885 536 HD12 LEU 62 2HD1 LEU 62 8.116 -0.491 3.388 537 HD13 LEU 62 3HD1 LEU 62 9.655 -0.352 2.539 538 HD21 LEU 62 3HD2 LEU 62 9.349 2.144 2.541 539 HD22 LEU 62 1HD2 LEU 62 7.785 1.983 3.356 540 HD23 LEU 62 2HD2 LEU 62 7.914 2.833 1.804 541 H GLU 63 H GLU 63 11.147 0.362 -1.963 542 HA GLU 63 HA GLU 63 11.945 -2.135 -0.685 543 HB2 GLU 63 2HB GLU 63 11.319 -1.682 -3.583 544 HB3 GLU 63 1HB GLU 63 12.013 -3.182 -2.964 545 HG2 GLU 63 2HG GLU 63 9.982 -3.353 -1.489 546 HG3 GLU 63 1HG GLU 63 9.314 -1.991 -2.389 547 H LYS 64 H LYS 64 13.113 0.602 -2.326 548 HA LYS 64 HA LYS 64 15.630 -0.767 -2.760 549 HB2 LYS 64 2HB LYS 64 14.610 0.561 -4.606 550 HB3 LYS 64 1HB LYS 64 14.829 2.007 -3.639 551 HG2 LYS 64 2HG LYS 64 16.583 1.876 -5.258 552 HG3 LYS 64 1HG LYS 64 17.263 1.589 -3.654 553 HD2 LYS 64 2HD LYS 64 17.230 -0.815 -4.044 554 HD3 LYS 64 1HD LYS 64 16.500 -0.553 -5.630 555 HE2 LYS 64 2HE LYS 64 18.516 0.717 -6.281 556 HE3 LYS 64 1HE LYS 64 19.228 0.330 -4.714 557 HZ1 LYS 64 3HZ LYS 64 19.976 -1.214 -6.405 558 HZ2 LYS 64 1HZ LYS 64 18.387 -1.617 -6.774 559 HZ3 LYS 64 2HZ LYS 64 19.017 -2.024 -5.279 560 H ALA 65 H ALA 65 14.148 1.674 -0.778 561 HA ALA 65 HA ALA 65 16.789 2.345 0.322 562 HB1 ALA 65 1HB ALA 65 15.370 4.259 -0.297 563 HB2 ALA 65 2HB ALA 65 15.717 4.244 1.431 564 HB3 ALA 65 3HB ALA 65 14.144 3.708 0.842 565 H LEU 66 H LEU 66 13.629 1.193 1.310 566 HA LEU 66 HA LEU 66 14.586 0.734 3.995 567 HB2 LEU 66 2HB LEU 66 11.917 0.174 2.717 568 HB3 LEU 66 1HB LEU 66 12.295 -0.379 4.331 569 HG LEU 66 HG LEU 66 10.947 1.626 4.436 570 HD11 LEU 66 1HD1 LEU 66 12.329 3.024 5.847 571 HD12 LEU 66 2HD1 LEU 66 13.771 2.195 5.268 572 HD13 LEU 66 3HD1 LEU 66 12.554 1.309 6.190 573 HD21 LEU 66 3HD2 LEU 66 11.746 3.805 3.625 574 HD22 LEU 66 1HD2 LEU 66 11.535 2.680 2.291 575 HD23 LEU 66 2HD2 LEU 66 13.150 3.016 2.904 576 H ASN 67 H ASN 67 13.776 -1.319 1.244 577 HA ASN 67 HA ASN 67 14.653 -3.595 2.797 578 HB2 ASN 67 2HB ASN 67 13.459 -3.408 0.047 579 HB3 ASN 67 1HB ASN 67 14.190 -4.898 0.612 580 HD21 ASN 67 1HD2 ASN 67 11.486 -2.673 1.022 581 HD22 ASN 67 2HD2 ASN 67 10.546 -3.752 1.965 582 H LYS 68 H LYS 68 15.609 -2.020 -0.197 583 HA LYS 68 HA LYS 68 17.564 -1.725 -1.217 584 HB2 LYS 68 2HB LYS 68 18.235 -0.842 1.015 585 HB3 LYS 68 1HB LYS 68 18.778 -2.448 1.466 586 HG2 LYS 68 2HG LYS 68 20.442 -2.363 -0.331 587 HG3 LYS 68 1HG LYS 68 19.921 -0.716 -0.712 588 HD2 LYS 68 2HD LYS 68 20.504 -0.033 1.585 589 HD3 LYS 68 1HD LYS 68 21.070 -1.669 1.916 590 HE2 LYS 68 2HE LYS 68 22.736 -1.422 0.108 591 HE3 LYS 68 1HE LYS 68 22.189 0.236 -0.135 592 HZ1 LYS 68 3HZ LYS 68 23.422 -0.858 2.334 593 HZ2 LYS 68 1HZ LYS 68 22.834 0.711 2.184 594 HZ3 LYS 68 2HZ LYS 68 24.137 0.200 1.248 Start of MODEL 3 1 H1 LYS 1 1HT LYS 1 -25.182 -16.933 -8.956 2 H2 LYS 1 2HT LYS 1 -24.404 -17.473 -7.550 3 H3 LYS 1 3HT LYS 1 -23.537 -17.291 -8.964 4 HA LYS 1 HA LYS 1 -23.809 -14.943 -8.934 5 HB2 LYS 1 2HB LYS 1 -25.227 -15.412 -6.279 6 HB3 LYS 1 1HB LYS 1 -24.718 -13.860 -6.889 7 HG2 LYS 1 2HG LYS 1 -26.256 -14.090 -8.768 8 HG3 LYS 1 1HG LYS 1 -26.755 -15.666 -8.147 9 HD2 LYS 1 2HD LYS 1 -26.960 -13.101 -6.606 10 HD3 LYS 1 1HD LYS 1 -28.304 -13.776 -7.545 11 HE2 LYS 1 2HE LYS 1 -28.201 -15.791 -6.112 12 HE3 LYS 1 1HE LYS 1 -26.894 -15.060 -5.186 13 HZ1 LYS 1 2HZ LYS 1 -28.412 -13.278 -4.547 14 HZ2 LYS 1 3HZ LYS 1 -29.015 -14.771 -4.081 15 HZ3 LYS 1 1HZ LYS 1 -29.664 -14.002 -5.413 16 HA PRO 2 HA PRO 2 -20.019 -15.668 -6.705 17 HB2 PRO 2 2HB PRO 2 -19.168 -12.965 -7.357 18 HB3 PRO 2 1HB PRO 2 -18.533 -14.498 -7.964 19 HG2 PRO 2 2HG PRO 2 -19.943 -12.747 -9.511 20 HG3 PRO 2 1HG PRO 2 -19.909 -14.494 -9.791 21 HD2 PRO 2 2HD PRO 2 -22.016 -12.823 -8.488 22 HD3 PRO 2 1HD PRO 2 -22.175 -14.212 -9.591 23 H VAL 3 H VAL 3 -20.947 -15.673 -4.672 24 HA VAL 3 HA VAL 3 -21.178 -13.129 -3.303 25 HB VAL 3 HB VAL 3 -22.995 -14.751 -2.969 26 HG11 VAL 3 1HG1 VAL 3 -21.808 -16.831 -3.254 27 HG12 VAL 3 2HG1 VAL 3 -22.665 -16.832 -1.712 28 HG13 VAL 3 3HG1 VAL 3 -20.923 -16.565 -1.753 29 HG21 VAL 3 3HG2 VAL 3 -21.357 -14.322 -0.480 30 HG22 VAL 3 1HG2 VAL 3 -23.064 -14.767 -0.522 31 HG23 VAL 3 2HG2 VAL 3 -22.542 -13.208 -1.166 32 H SER 4 H SER 4 -19.691 -12.414 -1.875 33 HA SER 4 HA SER 4 -17.802 -14.230 -0.795 34 HB2 SER 4 2HB SER 4 -15.819 -12.966 -1.787 35 HB3 SER 4 1HB SER 4 -16.694 -14.061 -2.861 36 HG SER 4 HG SER 4 -17.948 -12.081 -3.386 37 H LEU 5 H LEU 5 -18.684 -13.429 1.149 38 HA LEU 5 HA LEU 5 -17.780 -10.742 1.817 39 HB2 LEU 5 2HB LEU 5 -19.502 -12.656 3.443 40 HB3 LEU 5 1HB LEU 5 -18.949 -11.101 4.016 41 HG LEU 5 HG LEU 5 -20.289 -10.022 2.230 42 HD11 LEU 5 1HD1 LEU 5 -21.408 -12.788 1.807 43 HD12 LEU 5 2HD1 LEU 5 -20.463 -11.861 0.645 44 HD13 LEU 5 3HD1 LEU 5 -22.068 -11.301 1.124 45 HD21 LEU 5 3HD2 LEU 5 -21.790 -11.775 4.166 46 HD22 LEU 5 1HD2 LEU 5 -22.457 -10.367 3.338 47 HD23 LEU 5 2HD2 LEU 5 -21.134 -10.168 4.484 48 H SER 6 H SER 6 -15.660 -11.413 1.536 49 HA SER 6 HA SER 6 -14.292 -12.278 3.816 50 HB2 SER 6 2HB SER 6 -15.283 -14.469 3.102 51 HB3 SER 6 1HB SER 6 -14.533 -14.273 1.527 52 HG SER 6 HG SER 6 -13.563 -15.361 3.694 53 H TYR 7 H TYR 7 -11.921 -12.718 3.009 54 HA TYR 7 HA TYR 7 -11.159 -11.750 0.429 55 HB2 TYR 7 2HB TYR 7 -9.805 -9.849 1.230 56 HB3 TYR 7 1HB TYR 7 -11.507 -9.568 1.563 57 HD1 TYR 7 1HD TYR 7 -12.325 -9.599 3.891 58 HD2 TYR 7 2HD TYR 7 -8.202 -10.119 3.008 59 HE1 TYR 7 1HE TYR 7 -11.763 -9.134 6.245 60 HE2 TYR 7 2HE TYR 7 -7.632 -9.664 5.337 61 HH TYR 7 HH TYR 7 -9.938 -9.598 7.825 62 H ARG 8 H ARG 8 -9.025 -12.180 -0.003 63 HA ARG 8 HA ARG 8 -7.929 -13.939 2.013 64 HB2 ARG 8 2HB ARG 8 -6.822 -15.234 0.214 65 HB3 ARG 8 1HB ARG 8 -8.565 -15.273 0.136 66 HG2 ARG 8 2HG ARG 8 -7.963 -15.036 -2.119 67 HG3 ARG 8 1HG ARG 8 -8.261 -13.375 -1.601 68 HD2 ARG 8 2HD ARG 8 -6.256 -13.593 -2.966 69 HD3 ARG 8 1HD ARG 8 -5.928 -12.971 -1.350 70 HE ARG 8 HE ARG 8 -5.478 -15.553 -0.986 71 HH11 ARG 8 1HH1 ARG 8 -4.408 -13.517 -3.674 72 HH12 ARG 8 2HH1 ARG 8 -2.934 -14.341 -3.879 73 HH21 ARG 8 1HH2 ARG 8 -3.491 -16.659 -1.270 74 HH22 ARG 8 2HH2 ARG 8 -2.381 -16.159 -2.453 75 H CYS 9 H CYS 9 -7.343 -11.285 0.200 76 HA CYS 9 HA CYS 9 -4.715 -10.947 1.509 77 HB2 CYS 9 2HB CYS 9 -5.700 -9.679 -1.073 78 HB3 CYS 9 1HB CYS 9 -4.156 -9.375 -0.318 79 HA PRO 10 HA PRO 10 -6.723 -7.751 3.893 80 HB2 PRO 10 2HB PRO 10 -4.154 -6.307 3.426 81 HB3 PRO 10 1HB PRO 10 -5.028 -6.605 4.932 82 HG2 PRO 10 2HG PRO 10 -2.842 -8.017 4.308 83 HG3 PRO 10 1HG PRO 10 -4.214 -8.751 5.155 84 HD2 PRO 10 2HD PRO 10 -3.342 -9.056 2.336 85 HD3 PRO 10 1HD PRO 10 -4.190 -10.197 3.401 86 H CYS 11 H CYS 11 -4.686 -6.648 1.186 87 HA CYS 11 HA CYS 11 -6.561 -4.506 0.729 88 HB2 CYS 11 2HB CYS 11 -3.872 -5.057 -0.490 89 HB3 CYS 11 1HB CYS 11 -4.928 -3.738 -0.986 90 H ARG 12 H ARG 12 -8.195 -4.918 -0.315 91 HA ARG 12 HA ARG 12 -8.146 -6.768 -2.581 92 HB2 ARG 12 2HB ARG 12 -10.635 -6.575 -2.416 93 HB3 ARG 12 1HB ARG 12 -9.858 -7.279 -0.997 94 HG2 ARG 12 2HG ARG 12 -10.004 -5.095 0.116 95 HG3 ARG 12 1HG ARG 12 -10.856 -4.459 -1.294 96 HD2 ARG 12 2HD ARG 12 -12.625 -6.068 -0.952 97 HD3 ARG 12 1HD ARG 12 -11.752 -6.753 0.420 98 HE ARG 12 HE ARG 12 -12.129 -3.992 0.788 99 HH11 ARG 12 1HH1 ARG 12 -13.896 -7.049 0.876 100 HH12 ARG 12 2HH1 ARG 12 -15.074 -6.497 1.966 101 HH21 ARG 12 1HH2 ARG 12 -13.699 -3.242 2.319 102 HH22 ARG 12 2HH2 ARG 12 -14.944 -4.290 2.826 103 H PHE 13 H PHE 13 -8.228 -3.522 -1.744 104 HA PHE 13 HA PHE 13 -8.713 -2.794 -4.544 105 HB2 PHE 13 2HB PHE 13 -9.250 -1.120 -2.063 106 HB3 PHE 13 1HB PHE 13 -9.342 -0.521 -3.709 107 HD1 PHE 13 2HD PHE 13 -11.094 -1.455 -5.241 108 HD2 PHE 13 1HD PHE 13 -11.061 -2.243 -1.064 109 HE1 PHE 13 2HE PHE 13 -13.458 -2.120 -5.352 110 HE2 PHE 13 1HE PHE 13 -13.424 -2.912 -1.166 111 HZ PHE 13 HZ PHE 13 -14.627 -2.852 -3.308 112 H PHE 14 H PHE 14 -7.284 -1.284 -5.406 113 HA PHE 14 HA PHE 14 -4.990 -0.573 -3.792 114 HB2 PHE 14 2HB PHE 14 -4.910 -1.915 -6.488 115 HB3 PHE 14 1HB PHE 14 -3.554 -1.035 -5.796 116 HD1 PHE 14 2HD PHE 14 -2.828 -1.759 -3.470 117 HD2 PHE 14 1HD PHE 14 -5.116 -4.184 -6.089 118 HE1 PHE 14 2HE PHE 14 -2.035 -3.718 -2.296 119 HE2 PHE 14 1HE PHE 14 -4.348 -6.203 -4.900 120 HZ PHE 14 HZ PHE 14 -2.801 -5.986 -2.994 121 H GLU 15 H GLU 15 -4.405 1.456 -4.087 122 HA GLU 15 HA GLU 15 -5.653 2.848 -6.294 123 HB2 GLU 15 2HB GLU 15 -6.293 3.515 -3.991 124 HB3 GLU 15 1HB GLU 15 -4.649 3.986 -3.676 125 HG2 GLU 15 2HG GLU 15 -4.750 5.676 -5.409 126 HG3 GLU 15 1HG GLU 15 -6.382 5.156 -5.835 127 H SER 16 H SER 16 -4.297 3.491 -7.832 128 HA SER 16 HA SER 16 -1.432 3.367 -7.336 129 HB2 SER 16 2HB SER 16 -1.367 3.439 -9.866 130 HB3 SER 16 1HB SER 16 -2.157 2.020 -9.168 131 HG SER 16 HG SER 16 -3.949 2.607 -10.044 132 H HIS 17 H HIS 17 -3.731 5.580 -7.098 133 HA HIS 17 HA HIS 17 -2.258 7.762 -8.389 134 HB2 HIS 17 2HB HIS 17 -5.066 7.649 -7.276 135 HB3 HIS 17 1HB HIS 17 -4.300 9.135 -7.823 136 HD1 HIS 17 1HD HIS 17 -6.209 9.332 -9.611 137 HD2 HIS 17 2HD HIS 17 -3.731 6.038 -10.052 138 HE1 HIS 17 1HE HIS 17 -6.681 8.435 -11.911 139 HE2 HIS 17 2HE HIS 17 -4.934 6.656 -12.235 140 H VAL 18 H VAL 18 -1.763 6.330 -5.630 141 HA VAL 18 HA VAL 18 -2.009 8.481 -3.785 142 HB VAL 18 HB VAL 18 -0.345 5.961 -3.605 143 HG11 VAL 18 1HG1 VAL 18 0.310 7.667 -2.020 144 HG12 VAL 18 2HG1 VAL 18 -0.475 6.322 -1.194 145 HG13 VAL 18 3HG1 VAL 18 -1.359 7.822 -1.471 146 HG21 VAL 18 3HG2 VAL 18 -3.171 6.452 -2.667 147 HG22 VAL 18 1HG2 VAL 18 -2.214 5.015 -2.317 148 HG23 VAL 18 2HG2 VAL 18 -2.674 5.388 -3.978 149 H ALA 19 H ALA 19 -0.520 10.059 -3.413 150 HA ALA 19 HA ALA 19 1.987 9.942 -4.931 151 HB1 ALA 19 1HB ALA 19 0.534 11.887 -5.349 152 HB2 ALA 19 2HB ALA 19 2.071 12.352 -4.603 153 HB3 ALA 19 3HB ALA 19 0.607 12.275 -3.625 154 H ARG 20 H ARG 20 3.903 9.970 -3.870 155 HA ARG 20 HA ARG 20 4.075 9.124 -1.220 156 HB2 ARG 20 2HB ARG 20 5.845 8.680 -2.773 157 HB3 ARG 20 1HB ARG 20 6.185 10.377 -3.001 158 HG2 ARG 20 2HG ARG 20 6.898 10.504 -0.634 159 HG3 ARG 20 1HG ARG 20 6.605 8.776 -0.491 160 HD2 ARG 20 2HD ARG 20 8.297 8.295 -2.122 161 HD3 ARG 20 1HD ARG 20 8.505 10.008 -2.500 162 HE ARG 20 HE ARG 20 8.964 9.537 0.237 163 HH11 ARG 20 1HH1 ARG 20 10.577 8.978 -2.920 164 HH12 ARG 20 2HH1 ARG 20 12.123 9.097 -2.253 165 HH21 ARG 20 1HH2 ARG 20 11.102 9.683 1.074 166 HH22 ARG 20 2HH2 ARG 20 12.451 9.494 0.052 167 H ALA 21 H ALA 21 4.060 12.323 -2.563 168 HA ALA 21 HA ALA 21 5.046 13.738 -0.329 169 HB1 ALA 21 1HB ALA 21 4.121 15.717 -1.392 170 HB2 ALA 21 2HB ALA 21 3.172 14.701 -2.478 171 HB3 ALA 21 3HB ALA 21 4.934 14.692 -2.578 172 H ASN 22 H ASN 22 1.894 12.425 -1.050 173 HA ASN 22 HA ASN 22 0.738 13.888 1.213 174 HB2 ASN 22 2HB ASN 22 -0.508 13.971 -0.953 175 HB3 ASN 22 1HB ASN 22 -0.650 12.220 -0.912 176 HD21 ASN 22 1HD2 ASN 22 -2.898 12.307 -0.949 177 HD22 ASN 22 2HD2 ASN 22 -3.839 12.802 0.402 178 H VAL 23 H VAL 23 2.353 11.150 0.669 179 HA VAL 23 HA VAL 23 0.780 9.424 2.365 180 HB VAL 23 HB VAL 23 3.596 9.008 1.273 181 HG11 VAL 23 1HG1 VAL 23 3.260 6.679 1.936 182 HG12 VAL 23 2HG1 VAL 23 1.732 7.111 2.696 183 HG13 VAL 23 3HG1 VAL 23 3.242 7.756 3.342 184 HG21 VAL 23 3HG2 VAL 23 1.871 9.038 -0.454 185 HG22 VAL 23 1HG2 VAL 23 0.944 7.849 0.453 186 HG23 VAL 23 2HG2 VAL 23 2.510 7.412 -0.218 187 H LYS 24 H LYS 24 0.733 9.642 4.452 188 HA LYS 24 HA LYS 24 2.604 11.287 5.914 189 HB2 LYS 24 2HB LYS 24 0.101 11.125 6.474 190 HB3 LYS 24 1HB LYS 24 0.428 9.460 6.928 191 HG2 LYS 24 2HG LYS 24 1.666 10.240 8.703 192 HG3 LYS 24 1HG LYS 24 1.577 11.906 8.097 193 HD2 LYS 24 2HD LYS 24 -0.897 11.744 8.165 194 HD3 LYS 24 1HD LYS 24 -0.717 10.167 8.951 195 HE2 LYS 24 2HE LYS 24 0.644 11.149 10.505 196 HE3 LYS 24 1HE LYS 24 0.348 12.758 9.841 197 HZ1 LYS 24 3HZ LYS 24 -2.063 12.461 10.272 198 HZ2 LYS 24 1HZ LYS 24 -1.209 12.418 11.711 199 HZ3 LYS 24 2HZ LYS 24 -1.754 10.989 11.061 200 H ARG 25 H ARG 25 1.638 7.995 5.738 201 HA ARG 25 HA ARG 25 4.230 6.984 6.504 202 HB2 ARG 25 2HB ARG 25 3.184 7.356 8.683 203 HB3 ARG 25 1HB ARG 25 1.745 6.501 8.163 204 HG2 ARG 25 2HG ARG 25 3.014 4.423 8.043 205 HG3 ARG 25 1HG ARG 25 4.475 5.286 8.537 206 HD2 ARG 25 2HD ARG 25 3.411 5.901 10.644 207 HD3 ARG 25 1HD ARG 25 1.934 5.079 10.147 208 HE ARG 25 HE ARG 25 3.761 3.141 9.967 209 HH11 ARG 25 1HH1 ARG 25 2.959 5.384 12.570 210 HH12 ARG 25 2HH1 ARG 25 3.403 4.318 13.822 211 HH21 ARG 25 1HH2 ARG 25 4.374 1.692 11.678 212 HH22 ARG 25 2HH2 ARG 25 4.197 2.165 13.311 213 H LEU 26 H LEU 26 4.519 4.910 5.544 214 HA LEU 26 HA LEU 26 2.116 3.525 4.801 215 HB2 LEU 26 2HB LEU 26 2.569 3.175 2.567 216 HB3 LEU 26 1HB LEU 26 2.717 4.884 2.784 217 HG LEU 26 HG LEU 26 5.011 2.934 2.474 218 HD11 LEU 26 1HD1 LEU 26 5.128 3.895 0.218 219 HD12 LEU 26 2HD1 LEU 26 3.668 4.808 0.575 220 HD13 LEU 26 3HD1 LEU 26 3.606 3.053 0.579 221 HD21 LEU 26 3HD2 LEU 26 5.053 5.953 2.247 222 HD22 LEU 26 1HD2 LEU 26 6.394 4.844 2.049 223 HD23 LEU 26 2HD2 LEU 26 5.684 5.047 3.653 224 H LYS 27 H LYS 27 2.526 1.362 4.045 225 HA LYS 27 HA LYS 27 5.070 0.255 4.881 226 HB2 LYS 27 2HB LYS 27 3.516 0.317 6.870 227 HB3 LYS 27 1HB LYS 27 2.436 -0.681 5.919 228 HG2 LYS 27 2HG LYS 27 3.465 -2.123 7.479 229 HG3 LYS 27 1HG LYS 27 4.211 -2.463 5.926 230 HD2 LYS 27 2HD LYS 27 5.447 -0.557 7.885 231 HD3 LYS 27 1HD LYS 27 5.697 -2.291 8.033 232 HE2 LYS 27 2HE LYS 27 6.472 -0.593 5.632 233 HE3 LYS 27 1HE LYS 27 7.538 -1.133 6.894 234 HZ1 LYS 27 3HZ LYS 27 6.063 -3.077 5.142 235 HZ2 LYS 27 1HZ LYS 27 7.229 -3.383 6.311 236 HZ3 LYS 27 2HZ LYS 27 7.646 -2.563 4.929 237 H ILE 28 H ILE 28 5.558 -1.339 3.483 238 HA ILE 28 HA ILE 28 3.484 -2.487 1.762 239 HB ILE 28 HB ILE 28 6.500 -2.895 1.736 240 HG12 ILE 28 2HG1 ILE 28 4.726 -1.263 -0.100 241 HG13 ILE 28 1HG1 ILE 28 5.986 -0.673 0.972 242 HG21 ILE 28 1HG2 ILE 28 4.434 -3.930 -0.199 243 HG22 ILE 28 2HG2 ILE 28 5.406 -4.880 0.928 244 HG23 ILE 28 3HG2 ILE 28 6.186 -4.028 -0.405 245 HD11 ILE 28 3HD1 ILE 28 6.728 -0.678 -1.334 246 HD12 ILE 28 1HD1 ILE 28 6.395 -2.403 -1.455 247 HD13 ILE 28 2HD1 ILE 28 7.668 -1.823 -0.380 248 H LEU 29 H LEU 29 2.634 -4.442 2.232 249 HA LEU 29 HA LEU 29 4.067 -6.026 4.226 250 HB2 LEU 29 2HB LEU 29 1.138 -5.948 3.521 251 HB3 LEU 29 1HB LEU 29 1.864 -7.063 4.658 252 HG LEU 29 HG LEU 29 1.728 -4.062 4.984 253 HD11 LEU 29 1HD1 LEU 29 -0.452 -5.131 5.176 254 HD12 LEU 29 2HD1 LEU 29 0.115 -4.569 6.752 255 HD13 LEU 29 3HD1 LEU 29 0.210 -6.282 6.338 256 HD21 LEU 29 3HD2 LEU 29 3.705 -5.016 6.061 257 HD22 LEU 29 1HD2 LEU 29 2.697 -6.224 6.857 258 HD23 LEU 29 2HD2 LEU 29 2.519 -4.522 7.269 259 H ASN 30 H ASN 30 5.200 -7.480 3.155 260 HA ASN 30 HA ASN 30 3.977 -8.800 0.882 261 HB2 ASN 30 2HB ASN 30 6.793 -8.858 1.960 262 HB3 ASN 30 1HB ASN 30 6.231 -10.100 0.863 263 HD21 ASN 30 1HD2 ASN 30 7.084 -6.739 1.199 264 HD22 ASN 30 2HD2 ASN 30 7.143 -6.416 -0.487 265 H THR 31 H THR 31 2.406 -9.913 1.772 266 HA THR 31 HA THR 31 2.901 -11.633 3.990 267 HB THR 31 HB THR 31 0.531 -12.348 3.639 268 HG1 THR 31 1HG THR 31 -0.634 -11.070 2.049 269 HG21 THR 31 3HG2 THR 31 0.918 -9.347 3.551 270 HG22 THR 31 1HG2 THR 31 0.978 -10.343 5.006 271 HG23 THR 31 2HG2 THR 31 -0.530 -10.172 4.102 272 HA PRO 32 HA PRO 32 4.583 -14.923 1.435 273 HB2 PRO 32 2HB PRO 32 4.487 -16.908 3.313 274 HB3 PRO 32 1HB PRO 32 5.700 -15.629 3.310 275 HG2 PRO 32 2HG PRO 32 3.203 -15.861 4.928 276 HG3 PRO 32 1HG PRO 32 4.809 -15.317 5.421 277 HD2 PRO 32 2HD PRO 32 2.799 -13.600 4.897 278 HD3 PRO 32 1HD PRO 32 4.500 -13.202 4.583 279 H ASN 33 H ASN 33 1.838 -14.442 1.098 280 HA ASN 33 HA ASN 33 0.887 -17.044 0.221 281 HB2 ASN 33 2HB ASN 33 -1.286 -16.911 1.304 282 HB3 ASN 33 1HB ASN 33 -0.037 -16.852 2.544 283 HD21 ASN 33 1HD2 ASN 33 0.385 -14.878 3.558 284 HD22 ASN 33 2HD2 ASN 33 -0.741 -13.569 3.494 285 H CYS 34 H CYS 34 0.649 -13.527 0.374 286 HA CYS 34 HA CYS 34 -1.130 -13.632 -1.966 287 HB2 CYS 34 2HB CYS 34 -1.891 -12.193 0.158 288 HB3 CYS 34 1HB CYS 34 -0.546 -11.240 -0.254 289 H ALA 35 H ALA 35 1.021 -10.969 -0.918 290 HA ALA 35 HA ALA 35 3.024 -10.991 -2.760 291 HB1 ALA 35 1HB ALA 35 0.530 -9.598 -3.796 292 HB2 ALA 35 2HB ALA 35 1.261 -11.031 -4.517 293 HB3 ALA 35 3HB ALA 35 2.130 -9.494 -4.523 294 H LEU 36 H LEU 36 2.727 -8.184 -3.468 295 HA LEU 36 HA LEU 36 3.234 -7.030 -0.872 296 HB2 LEU 36 2HB LEU 36 3.236 -5.753 -3.592 297 HB3 LEU 36 1HB LEU 36 3.660 -4.944 -2.112 298 HG LEU 36 HG LEU 36 5.594 -6.594 -1.962 299 HD11 LEU 36 1HD1 LEU 36 6.340 -7.583 -4.027 300 HD12 LEU 36 2HD1 LEU 36 4.856 -7.056 -4.839 301 HD13 LEU 36 3HD1 LEU 36 4.782 -8.232 -3.516 302 HD21 LEU 36 3HD2 LEU 36 5.786 -4.252 -2.553 303 HD22 LEU 36 1HD2 LEU 36 5.459 -4.639 -4.233 304 HD23 LEU 36 2HD2 LEU 36 6.941 -5.234 -3.473 305 H GLN 37 H GLN 37 1.383 -6.574 0.233 306 HA GLN 37 HA GLN 37 -0.304 -4.773 -1.260 307 HB2 GLN 37 2HB GLN 37 -2.056 -4.975 0.595 308 HB3 GLN 37 1HB GLN 37 -1.853 -6.331 -0.487 309 HG2 GLN 37 2HG GLN 37 -0.487 -6.387 2.170 310 HG3 GLN 37 1HG GLN 37 -2.226 -6.671 2.080 311 HE21 GLN 37 1HE2 GLN 37 0.916 -7.963 1.368 312 HE22 GLN 37 2HE2 GLN 37 0.342 -9.499 0.898 313 H ILE 38 H ILE 38 -0.377 -2.769 -0.818 314 HA ILE 38 HA ILE 38 1.437 -1.895 1.332 315 HB ILE 38 HB ILE 38 0.808 -0.470 -1.249 316 HG12 ILE 38 2HG1 ILE 38 3.133 -2.310 -0.653 317 HG13 ILE 38 1HG1 ILE 38 1.783 -2.677 -1.707 318 HG21 ILE 38 1HG2 ILE 38 3.071 -0.212 0.755 319 HG22 ILE 38 2HG2 ILE 38 1.744 0.929 0.546 320 HG23 ILE 38 3HG2 ILE 38 2.932 0.708 -0.745 321 HD11 ILE 38 3HD1 ILE 38 3.743 -0.461 -2.103 322 HD12 ILE 38 1HD1 ILE 38 2.408 -0.870 -3.179 323 HD13 ILE 38 2HD1 ILE 38 3.743 -2.007 -2.962 324 H VAL 39 H VAL 39 0.858 0.035 2.400 325 HA VAL 39 HA VAL 39 -1.905 0.924 2.033 326 HB VAL 39 HB VAL 39 -2.109 1.116 4.524 327 HG11 VAL 39 1HG1 VAL 39 -3.088 -0.804 3.378 328 HG12 VAL 39 2HG1 VAL 39 -2.476 -1.269 4.966 329 HG13 VAL 39 3HG1 VAL 39 -1.560 -1.675 3.513 330 HG21 VAL 39 3HG2 VAL 39 -0.536 -0.125 5.951 331 HG22 VAL 39 1HG2 VAL 39 0.269 1.181 5.072 332 HG23 VAL 39 2HG2 VAL 39 0.453 -0.485 4.532 333 H ALA 40 H ALA 40 -2.155 3.101 2.061 334 HA ALA 40 HA ALA 40 0.157 4.776 2.849 335 HB1 ALA 40 1HB ALA 40 -1.855 5.335 0.681 336 HB2 ALA 40 2HB ALA 40 -0.257 4.746 0.355 337 HB3 ALA 40 3HB ALA 40 -0.480 6.326 1.095 338 H ARG 41 H ARG 41 -0.410 5.947 4.617 339 HA ARG 41 HA ARG 41 -3.196 6.760 4.751 340 HB2 ARG 41 2HB ARG 41 -2.423 5.780 6.832 341 HB3 ARG 41 1HB ARG 41 -1.035 6.864 6.820 342 HG2 ARG 41 2HG ARG 41 -2.273 8.644 7.528 343 HG3 ARG 41 1HG ARG 41 -3.775 7.973 6.891 344 HD2 ARG 41 2HD ARG 41 -3.542 7.919 9.433 345 HD3 ARG 41 1HD ARG 41 -3.994 6.415 8.624 346 HE ARG 41 HE ARG 41 -1.301 6.243 8.844 347 HH11 ARG 41 1HH1 ARG 41 -3.837 6.893 11.234 348 HH12 ARG 41 2HH1 ARG 41 -3.049 6.037 12.483 349 HH21 ARG 41 1HH2 ARG 41 -0.277 5.050 10.559 350 HH22 ARG 41 2HH2 ARG 41 -1.014 4.985 12.098 351 H LEU 42 H LEU 42 -3.795 8.514 4.235 352 HA LEU 42 HA LEU 42 -2.018 10.341 2.915 353 HB2 LEU 42 2HB LEU 42 -4.875 10.710 3.632 354 HB3 LEU 42 1HB LEU 42 -4.092 11.731 2.481 355 HG LEU 42 HG LEU 42 -5.184 9.017 2.266 356 HD11 LEU 42 1HD1 LEU 42 -5.853 9.693 0.021 357 HD12 LEU 42 2HD1 LEU 42 -5.146 11.273 0.326 358 HD13 LEU 42 3HD1 LEU 42 -6.493 10.704 1.306 359 HD21 LEU 42 3HD2 LEU 42 -2.841 9.826 0.529 360 HD22 LEU 42 1HD2 LEU 42 -3.867 8.418 0.241 361 HD23 LEU 42 2HD2 LEU 42 -2.868 8.503 1.697 362 H LYS 43 H LYS 43 -1.324 12.343 3.483 363 HA LYS 43 HA LYS 43 -1.193 12.924 6.243 364 HB2 LYS 43 2HB LYS 43 -0.447 14.736 3.901 365 HB3 LYS 43 1HB LYS 43 -0.025 15.011 5.580 366 HG2 LYS 43 2HG LYS 43 1.271 13.042 5.643 367 HG3 LYS 43 1HG LYS 43 0.876 12.716 3.954 368 HD2 LYS 43 2HD LYS 43 1.980 14.664 3.218 369 HD3 LYS 43 1HD LYS 43 2.133 15.288 4.862 370 HE2 LYS 43 2HE LYS 43 3.437 13.490 5.456 371 HE3 LYS 43 1HE LYS 43 3.417 12.770 3.837 372 HZ1 LYS 43 3HZ LYS 43 4.614 15.396 4.630 373 HZ2 LYS 43 1HZ LYS 43 4.538 14.859 3.037 374 HZ3 LYS 43 2HZ LYS 43 5.481 14.035 4.138 375 H ASN 44 H ASN 44 -3.062 14.244 3.575 376 HA ASN 44 HA ASN 44 -4.385 16.144 5.331 377 HB2 ASN 44 2HB ASN 44 -3.938 16.975 3.149 378 HB3 ASN 44 1HB ASN 44 -4.737 15.622 2.373 379 HD21 ASN 44 1HD2 ASN 44 -5.190 18.603 4.119 380 HD22 ASN 44 2HD2 ASN 44 -6.855 18.804 3.751 381 H ASN 45 H ASN 45 -5.439 13.380 3.370 382 HA ASN 45 HA ASN 45 -8.070 13.484 4.376 383 HB2 ASN 45 2HB ASN 45 -7.498 12.381 2.230 384 HB3 ASN 45 1HB ASN 45 -6.665 11.139 3.157 385 HD21 ASN 45 1HD2 ASN 45 -7.947 9.575 2.199 386 HD22 ASN 45 2HD2 ASN 45 -9.560 9.290 2.672 387 H ASN 46 H ASN 46 -5.144 12.031 5.453 388 HA ASN 46 HA ASN 46 -4.448 10.923 7.287 389 HB2 ASN 46 2HB ASN 46 -5.884 12.852 8.356 390 HB3 ASN 46 1HB ASN 46 -7.067 11.591 8.664 391 HD21 ASN 46 1HD2 ASN 46 -5.646 13.223 10.563 392 HD22 ASN 46 2HD2 ASN 46 -4.750 12.167 11.577 393 H ARG 47 H ARG 47 -6.448 9.818 5.289 394 HA ARG 47 HA ARG 47 -7.101 7.431 6.830 395 HB2 ARG 47 2HB ARG 47 -8.455 8.453 4.352 396 HB3 ARG 47 1HB ARG 47 -8.758 6.874 5.058 397 HG2 ARG 47 2HG ARG 47 -9.466 7.934 7.132 398 HG3 ARG 47 1HG ARG 47 -9.200 9.518 6.404 399 HD2 ARG 47 2HD ARG 47 -10.871 9.002 4.707 400 HD3 ARG 47 1HD ARG 47 -11.137 7.422 5.444 401 HE ARG 47 HE ARG 47 -11.477 9.205 7.459 402 HH11 ARG 47 1HH1 ARG 47 -13.030 8.652 4.318 403 HH12 ARG 47 2HH1 ARG 47 -14.524 9.299 4.791 404 HH21 ARG 47 1HH2 ARG 47 -13.547 10.069 8.108 405 HH22 ARG 47 2HH2 ARG 47 -14.833 10.124 7.004 406 H GLN 48 H GLN 48 -6.844 5.413 5.870 407 HA GLN 48 HA GLN 48 -4.502 5.483 4.226 408 HB2 GLN 48 2HB GLN 48 -4.099 4.640 6.360 409 HB3 GLN 48 1HB GLN 48 -5.519 3.620 6.297 410 HG2 GLN 48 2HG GLN 48 -4.577 2.184 4.836 411 HG3 GLN 48 1HG GLN 48 -3.284 3.275 4.363 412 HE21 GLN 48 1HE2 GLN 48 -4.451 0.972 6.643 413 HE22 GLN 48 2HE2 GLN 48 -3.015 0.841 7.597 414 H VAL 49 H VAL 49 -4.486 4.767 2.350 415 HA VAL 49 HA VAL 49 -6.594 2.947 1.402 416 HB VAL 49 HB VAL 49 -6.245 3.949 -0.863 417 HG11 VAL 49 1HG1 VAL 49 -7.394 6.081 -0.433 418 HG12 VAL 49 2HG1 VAL 49 -6.990 5.951 1.277 419 HG13 VAL 49 3HG1 VAL 49 -8.072 4.773 0.535 420 HG21 VAL 49 3HG2 VAL 49 -4.548 5.978 0.606 421 HG22 VAL 49 1HG2 VAL 49 -5.046 6.084 -1.082 422 HG23 VAL 49 2HG2 VAL 49 -3.969 4.788 -0.560 423 H CYS 50 H CYS 50 -5.910 1.210 0.322 424 HA CYS 50 HA CYS 50 -3.196 0.405 0.496 425 HB2 CYS 50 2HB CYS 50 -5.428 -0.757 -1.147 426 HB3 CYS 50 1HB CYS 50 -3.896 -1.516 -0.970 427 H ILE 51 H ILE 51 -1.595 0.396 -0.943 428 HA ILE 51 HA ILE 51 -2.011 2.092 -3.315 429 HB ILE 51 HB ILE 51 0.686 1.202 -2.320 430 HG12 ILE 51 2HG1 ILE 51 -0.808 3.663 -1.395 431 HG13 ILE 51 1HG1 ILE 51 -0.431 2.262 -0.396 432 HG21 ILE 51 1HG2 ILE 51 -0.307 3.593 -3.846 433 HG22 ILE 51 2HG2 ILE 51 0.528 2.198 -4.521 434 HG23 ILE 51 3HG2 ILE 51 1.381 3.291 -3.421 435 HD11 ILE 51 3HD1 ILE 51 1.294 3.863 0.121 436 HD12 ILE 51 1HD1 ILE 51 1.504 4.212 -1.610 437 HD13 ILE 51 2HD1 ILE 51 1.964 2.668 -0.953 438 H ASP 52 H ASP 52 -1.483 1.360 -5.281 439 HA ASP 52 HA ASP 52 -1.358 -1.466 -5.707 440 HB2 ASP 52 2HB ASP 52 -2.539 0.043 -7.282 441 HB3 ASP 52 1HB ASP 52 -1.025 0.854 -7.629 442 HA PRO 53 HA PRO 53 3.083 -1.554 -5.104 443 HB2 PRO 53 2HB PRO 53 3.520 -4.125 -5.787 444 HB3 PRO 53 1HB PRO 53 2.811 -3.636 -4.249 445 HG2 PRO 53 2HG PRO 53 1.418 -4.593 -6.724 446 HG3 PRO 53 1HG PRO 53 1.127 -5.051 -5.036 447 HD2 PRO 53 2HD PRO 53 -0.432 -3.256 -6.297 448 HD3 PRO 53 1HD PRO 53 -0.041 -3.103 -4.574 449 H LYS 54 H LYS 54 1.651 -1.564 -8.163 450 HA LYS 54 HA LYS 54 4.102 -2.110 -9.535 451 HB2 LYS 54 2HB LYS 54 1.410 -1.177 -10.486 452 HB3 LYS 54 1HB LYS 54 2.798 -1.279 -11.551 453 HG2 LYS 54 2HG LYS 54 1.395 -3.210 -11.859 454 HG3 LYS 54 1HG LYS 54 2.912 -3.696 -11.102 455 HD2 LYS 54 2HD LYS 54 1.772 -3.854 -8.944 456 HD3 LYS 54 1HD LYS 54 0.266 -3.321 -9.695 457 HE2 LYS 54 2HE LYS 54 0.226 -5.273 -11.119 458 HE3 LYS 54 1HE LYS 54 1.796 -5.792 -10.519 459 HZ1 LYS 54 3HZ LYS 54 -0.727 -5.633 -8.954 460 HZ2 LYS 54 1HZ LYS 54 0.781 -6.053 -8.321 461 HZ3 LYS 54 2HZ LYS 54 0.052 -7.040 -9.481 462 H LEU 55 H LEU 55 2.944 0.500 -7.808 463 HA LEU 55 HA LEU 55 3.906 2.573 -9.478 464 HB2 LEU 55 2HB LEU 55 3.522 2.552 -6.494 465 HB3 LEU 55 1HB LEU 55 3.998 3.972 -7.396 466 HG LEU 55 HG LEU 55 1.377 2.495 -7.635 467 HD11 LEU 55 1HD1 LEU 55 2.055 5.238 -6.591 468 HD12 LEU 55 2HD1 LEU 55 1.588 3.845 -5.616 469 HD13 LEU 55 3HD1 LEU 55 0.436 4.562 -6.746 470 HD21 LEU 55 3HD2 LEU 55 2.068 3.350 -9.795 471 HD22 LEU 55 1HD2 LEU 55 2.394 4.928 -9.078 472 HD23 LEU 55 2HD2 LEU 55 0.741 4.313 -9.145 473 H LYS 56 H LYS 56 5.770 3.259 -9.911 474 HA LYS 56 HA LYS 56 8.031 1.710 -9.218 475 HB2 LYS 56 2HB LYS 56 7.683 2.721 -11.443 476 HB3 LYS 56 1HB LYS 56 7.809 4.317 -10.760 477 HG2 LYS 56 2HG LYS 56 10.082 2.327 -10.757 478 HG3 LYS 56 1HG LYS 56 9.801 3.461 -12.066 479 HD2 LYS 56 2HD LYS 56 10.430 4.151 -9.185 480 HD3 LYS 56 1HD LYS 56 11.537 4.283 -10.550 481 HE2 LYS 56 2HE LYS 56 9.917 5.917 -11.573 482 HE3 LYS 56 1HE LYS 56 9.019 5.870 -10.060 483 HZ1 LYS 56 3HZ LYS 56 11.786 6.797 -10.472 484 HZ2 LYS 56 1HZ LYS 56 11.110 6.652 -8.929 485 HZ3 LYS 56 2HZ LYS 56 10.466 7.734 -10.056 486 H TRP 57 H TRP 57 6.885 4.899 -8.145 487 HA TRP 57 HA TRP 57 9.278 5.496 -6.765 488 HB2 TRP 57 2HB TRP 57 8.103 7.291 -5.604 489 HB3 TRP 57 1HB TRP 57 7.575 7.265 -7.274 490 HD1 TRP 57 HD TRP 57 4.962 7.010 -7.671 491 HE1 TRP 57 1HE TRP 57 2.924 6.871 -6.110 492 HE3 TRP 57 3HE TRP 57 7.396 6.296 -3.246 493 HZ2 TRP 57 2HZ TRP 57 2.422 6.476 -3.269 494 HZ3 TRP 57 3HZ TRP 57 6.092 6.045 -1.211 495 HH2 TRP 57 HH TRP 57 3.648 6.123 -1.243 496 H ILE 58 H ILE 58 6.555 3.568 -5.967 497 HA ILE 58 HA ILE 58 6.808 3.377 -3.185 498 HB ILE 58 HB ILE 58 5.630 1.643 -5.316 499 HG12 ILE 58 2HG1 ILE 58 4.454 3.659 -4.458 500 HG13 ILE 58 1HG1 ILE 58 3.504 2.212 -4.238 501 HG21 ILE 58 1HG2 ILE 58 5.719 0.813 -2.432 502 HG22 ILE 58 2HG2 ILE 58 6.561 0.037 -3.775 503 HG23 ILE 58 3HG2 ILE 58 4.800 0.028 -3.724 504 HD11 ILE 58 3HD1 ILE 58 5.123 3.606 -2.156 505 HD12 ILE 58 1HD1 ILE 58 4.249 2.094 -1.931 506 HD13 ILE 58 2HD1 ILE 58 3.373 3.574 -2.326 507 H GLN 59 H GLN 59 8.037 1.264 -5.720 508 HA GLN 59 HA GLN 59 9.374 -0.339 -3.818 509 HB2 GLN 59 2HB GLN 59 10.301 -1.561 -5.811 510 HB3 GLN 59 1HB GLN 59 8.552 -1.404 -5.739 511 HG2 GLN 59 2HG GLN 59 8.696 0.436 -7.371 512 HG3 GLN 59 1HG GLN 59 10.429 0.128 -7.508 513 HE21 GLN 59 1HE2 GLN 59 8.085 -2.414 -7.000 514 HE22 GLN 59 2HE2 GLN 59 8.231 -3.141 -8.523 515 H GLU 60 H GLU 60 10.229 2.364 -5.735 516 HA GLU 60 HA GLU 60 13.030 2.091 -5.432 517 HB2 GLU 60 2HB GLU 60 12.107 3.228 -7.362 518 HB3 GLU 60 1HB GLU 60 11.248 4.348 -6.335 519 HG2 GLU 60 2HG GLU 60 13.383 5.339 -5.669 520 HG3 GLU 60 1HG GLU 60 14.222 4.214 -6.740 521 H TYR 61 H TYR 61 10.684 2.980 -3.357 522 HA TYR 61 HA TYR 61 12.556 4.510 -1.722 523 HB2 TYR 61 2HB TYR 61 10.719 5.917 -2.303 524 HB3 TYR 61 1HB TYR 61 9.555 4.650 -1.990 525 HD1 TYR 61 2HD TYR 61 12.298 5.596 0.302 526 HD2 TYR 61 1HD TYR 61 8.162 5.848 -0.565 527 HE1 TYR 61 2HE TYR 61 11.878 6.572 2.561 528 HE2 TYR 61 1HE TYR 61 7.703 6.775 1.622 529 HH TYR 61 HH TYR 61 10.150 7.962 3.652 530 H LEU 62 H LEU 62 9.706 2.464 -1.368 531 HA LEU 62 HA LEU 62 10.428 1.641 1.226 532 HB2 LEU 62 2HB LEU 62 8.410 0.738 -0.717 533 HB3 LEU 62 1HB LEU 62 8.550 -0.090 0.793 534 HG LEU 62 HG LEU 62 6.761 1.406 1.040 535 HD11 LEU 62 1HD1 LEU 62 8.235 1.517 2.948 536 HD12 LEU 62 2HD1 LEU 62 7.416 3.047 2.675 537 HD13 LEU 62 3HD1 LEU 62 9.105 2.871 2.219 538 HD21 LEU 62 3HD2 LEU 62 8.492 3.429 -0.318 539 HD22 LEU 62 1HD2 LEU 62 6.968 3.847 0.433 540 HD23 LEU 62 2HD2 LEU 62 7.009 2.726 -0.944 541 H GLU 63 H GLU 63 11.221 0.326 -1.905 542 HA GLU 63 HA GLU 63 11.832 -2.172 -0.515 543 HB2 GLU 63 2HB GLU 63 11.234 -1.690 -3.420 544 HB3 GLU 63 1HB GLU 63 11.982 -3.170 -2.854 545 HG2 GLU 63 2HG GLU 63 9.304 -2.138 -1.930 546 HG3 GLU 63 1HG GLU 63 9.540 -3.370 -3.173 547 H LYS 64 H LYS 64 13.121 0.446 -2.160 548 HA LYS 64 HA LYS 64 15.550 -0.938 -2.639 549 HB2 LYS 64 2HB LYS 64 14.786 0.736 -4.279 550 HB3 LYS 64 1HB LYS 64 14.783 1.977 -3.053 551 HG2 LYS 64 2HG LYS 64 17.285 0.611 -4.086 552 HG3 LYS 64 1HG LYS 64 16.641 2.114 -4.723 553 HD2 LYS 64 2HD LYS 64 16.941 3.163 -2.498 554 HD3 LYS 64 1HD LYS 64 17.584 1.645 -1.892 555 HE2 LYS 64 2HE LYS 64 19.381 3.200 -2.427 556 HE3 LYS 64 1HE LYS 64 19.439 1.786 -3.474 557 HZ1 LYS 64 3HZ LYS 64 19.799 3.869 -4.676 558 HZ2 LYS 64 1HZ LYS 64 18.278 4.413 -4.201 559 HZ3 LYS 64 2HZ LYS 64 18.410 3.085 -5.227 560 H ALA 65 H ALA 65 14.216 1.317 -0.368 561 HA ALA 65 HA ALA 65 16.834 1.623 0.804 562 HB1 ALA 65 1HB ALA 65 15.353 3.576 0.744 563 HB2 ALA 65 2HB ALA 65 15.833 3.187 2.395 564 HB3 ALA 65 3HB ALA 65 14.226 2.752 1.819 565 H LEU 66 H LEU 66 13.917 -0.081 1.458 566 HA LEU 66 HA LEU 66 14.838 -0.940 4.079 567 HB2 LEU 66 2HB LEU 66 12.367 -1.286 2.527 568 HB3 LEU 66 1HB LEU 66 12.595 -2.360 3.851 569 HG LEU 66 HG LEU 66 11.168 -0.571 4.587 570 HD11 LEU 66 1HD1 LEU 66 12.390 0.542 6.362 571 HD12 LEU 66 2HD1 LEU 66 13.914 0.065 5.627 572 HD13 LEU 66 3HD1 LEU 66 12.807 -1.165 6.247 573 HD21 LEU 66 3HD2 LEU 66 11.718 1.814 4.380 574 HD22 LEU 66 1HD2 LEU 66 11.621 1.034 2.804 575 HD23 LEU 66 2HD2 LEU 66 13.197 1.391 3.513 576 H ASN 67 H ASN 67 14.631 -2.233 0.843 577 HA ASN 67 HA ASN 67 15.179 -4.874 2.007 578 HB2 ASN 67 2HB ASN 67 12.814 -4.190 1.105 579 HB3 ASN 67 1HB ASN 67 13.579 -4.341 -0.410 580 HD21 ASN 67 1HD2 ASN 67 11.843 -5.850 -0.540 581 HD22 ASN 67 2HD2 ASN 67 12.168 -7.541 -0.261 582 H LYS 68 H LYS 68 16.806 -2.657 0.630 583 HA LYS 68 HA LYS 68 18.250 -4.510 -1.065 584 HB2 LYS 68 2HB LYS 68 16.932 -2.862 -2.539 585 HB3 LYS 68 1HB LYS 68 17.796 -1.611 -1.732 586 HG2 LYS 68 2HG LYS 68 19.912 -2.245 -2.588 587 HG3 LYS 68 1HG LYS 68 19.267 -3.739 -3.253 588 HD2 LYS 68 2HD LYS 68 18.265 -1.056 -4.142 589 HD3 LYS 68 1HD LYS 68 19.710 -1.757 -4.857 590 HE2 LYS 68 2HE LYS 68 17.766 -2.213 -6.260 591 HE3 LYS 68 1HE LYS 68 18.379 -3.707 -5.581 592 HZ1 LYS 68 3HZ LYS 68 16.543 -3.745 -4.036 593 HZ2 LYS 68 1HZ LYS 68 15.985 -3.565 -5.598 594 HZ3 LYS 68 2HZ LYS 68 15.959 -2.239 -4.605 Start of MODEL 4 1 H1 LYS 1 1HT LYS 1 -18.868 -5.595 -6.135 2 H2 LYS 1 2HT LYS 1 -19.635 -6.969 -6.704 3 H3 LYS 1 3HT LYS 1 -19.809 -5.522 -7.544 4 HA LYS 1 HA LYS 1 -18.351 -7.107 -8.584 5 HB2 LYS 1 2HB LYS 1 -16.802 -4.648 -7.607 6 HB3 LYS 1 1HB LYS 1 -16.381 -5.679 -8.948 7 HG2 LYS 1 2HG LYS 1 -18.356 -5.012 -10.146 8 HG3 LYS 1 1HG LYS 1 -18.882 -4.039 -8.767 9 HD2 LYS 1 2HD LYS 1 -16.895 -2.648 -8.970 10 HD3 LYS 1 1HD LYS 1 -16.319 -3.630 -10.316 11 HE2 LYS 1 2HE LYS 1 -18.267 -2.970 -11.623 12 HE3 LYS 1 1HE LYS 1 -18.871 -2.028 -10.263 13 HZ1 LYS 1 2HZ LYS 1 -16.319 -1.496 -11.716 14 HZ2 LYS 1 3HZ LYS 1 -16.941 -0.589 -10.438 15 HZ3 LYS 1 1HZ LYS 1 -17.767 -0.658 -11.899 16 HA PRO 2 HA PRO 2 -15.182 -8.671 -5.551 17 HB2 PRO 2 2HB PRO 2 -14.186 -7.064 -3.594 18 HB3 PRO 2 1HB PRO 2 -13.687 -6.957 -5.286 19 HG2 PRO 2 2HG PRO 2 -15.149 -4.985 -3.766 20 HG3 PRO 2 1HG PRO 2 -14.650 -4.899 -5.462 21 HD2 PRO 2 2HD PRO 2 -17.237 -5.776 -4.275 22 HD3 PRO 2 1HD PRO 2 -16.947 -4.973 -5.825 23 H VAL 3 H VAL 3 -16.469 -10.238 -4.502 24 HA VAL 3 HA VAL 3 -18.130 -9.718 -2.304 25 HB VAL 3 HB VAL 3 -18.401 -11.701 -3.740 26 HG11 VAL 3 1HG1 VAL 3 -16.093 -12.274 -4.153 27 HG12 VAL 3 2HG1 VAL 3 -16.965 -13.664 -3.506 28 HG13 VAL 3 3HG1 VAL 3 -15.880 -12.739 -2.465 29 HG21 VAL 3 3HG2 VAL 3 -17.928 -12.417 -0.841 30 HG22 VAL 3 1HG2 VAL 3 -18.865 -13.371 -1.989 31 HG23 VAL 3 2HG2 VAL 3 -19.413 -11.761 -1.527 32 H SER 4 H SER 4 -17.816 -9.805 -0.112 33 HA SER 4 HA SER 4 -15.065 -9.462 0.686 34 HB2 SER 4 2HB SER 4 -16.138 -8.643 2.811 35 HB3 SER 4 1HB SER 4 -16.531 -7.733 1.350 36 HG SER 4 HG SER 4 -18.095 -9.376 2.930 37 H LEU 5 H LEU 5 -16.606 -12.208 0.372 38 HA LEU 5 HA LEU 5 -15.879 -13.216 3.014 39 HB2 LEU 5 2HB LEU 5 -17.577 -14.477 0.867 40 HB3 LEU 5 1HB LEU 5 -16.990 -15.391 2.237 41 HG LEU 5 HG LEU 5 -19.277 -14.795 2.599 42 HD11 LEU 5 1HD1 LEU 5 -17.514 -13.096 4.335 43 HD12 LEU 5 2HD1 LEU 5 -17.882 -14.806 4.552 44 HD13 LEU 5 3HD1 LEU 5 -19.164 -13.605 4.700 45 HD21 LEU 5 3HD2 LEU 5 -20.040 -12.467 2.742 46 HD22 LEU 5 1HD2 LEU 5 -19.470 -12.873 1.120 47 HD23 LEU 5 2HD2 LEU 5 -18.456 -11.918 2.205 48 H SER 6 H SER 6 -15.683 -14.819 -0.175 49 HA SER 6 HA SER 6 -13.311 -16.108 0.703 50 HB2 SER 6 2HB SER 6 -14.630 -16.088 -2.007 51 HB3 SER 6 1HB SER 6 -13.322 -17.162 -1.503 52 HG SER 6 HG SER 6 -15.257 -17.243 0.314 53 H TYR 7 H TYR 7 -11.631 -14.782 1.004 54 HA TYR 7 HA TYR 7 -10.226 -14.036 -1.346 55 HB2 TYR 7 2HB TYR 7 -9.774 -11.711 -0.743 56 HB3 TYR 7 1HB TYR 7 -11.506 -11.922 -0.857 57 HD1 TYR 7 2HD TYR 7 -8.739 -11.868 1.568 58 HD2 TYR 7 1HD TYR 7 -12.847 -11.147 0.893 59 HE1 TYR 7 2HE TYR 7 -8.908 -10.807 3.829 60 HE2 TYR 7 1HE TYR 7 -13.060 -10.092 3.121 61 HH TYR 7 HH TYR 7 -11.937 -10.083 5.265 62 H ARG 8 H ARG 8 -8.002 -13.098 -0.496 63 HA ARG 8 HA ARG 8 -7.278 -14.283 2.065 64 HB2 ARG 8 2HB ARG 8 -5.556 -15.665 1.073 65 HB3 ARG 8 1HB ARG 8 -7.157 -16.120 0.504 66 HG2 ARG 8 2HG ARG 8 -6.689 -14.663 -1.508 67 HG3 ARG 8 1HG ARG 8 -5.013 -14.641 -0.959 68 HD2 ARG 8 2HD ARG 8 -6.698 -16.971 -1.501 69 HD3 ARG 8 1HD ARG 8 -5.428 -16.381 -2.597 70 HE ARG 8 HE ARG 8 -4.544 -17.067 0.089 71 HH11 ARG 8 1HH1 ARG 8 -4.968 -18.325 -3.176 72 HH12 ARG 8 2HH1 ARG 8 -3.922 -19.643 -2.956 73 HH21 ARG 8 1HH2 ARG 8 -3.121 -18.853 0.402 74 HH22 ARG 8 2HH2 ARG 8 -2.850 -19.960 -0.863 75 H CYS 9 H CYS 9 -7.226 -11.644 0.389 76 HA CYS 9 HA CYS 9 -4.437 -11.035 1.041 77 HB2 CYS 9 2HB CYS 9 -6.172 -9.799 -1.111 78 HB3 CYS 9 1HB CYS 9 -4.509 -9.358 -0.743 79 HA PRO 10 HA PRO 10 -6.233 -8.056 3.908 80 HB2 PRO 10 2HB PRO 10 -3.723 -6.549 3.422 81 HB3 PRO 10 1HB PRO 10 -4.401 -7.137 4.941 82 HG2 PRO 10 2HG PRO 10 -2.263 -8.298 3.827 83 HG3 PRO 10 1HG PRO 10 -3.489 -9.232 4.702 84 HD2 PRO 10 2HD PRO 10 -3.037 -8.991 1.761 85 HD3 PRO 10 1HD PRO 10 -3.566 -10.381 2.730 86 H CYS 11 H CYS 11 -4.661 -7.173 0.913 87 HA CYS 11 HA CYS 11 -6.656 -5.090 0.528 88 HB2 CYS 11 2HB CYS 11 -3.722 -4.873 -0.174 89 HB3 CYS 11 1HB CYS 11 -4.967 -3.735 -0.658 90 H ARG 12 H ARG 12 -7.878 -6.085 -0.906 91 HA ARG 12 HA ARG 12 -6.604 -7.181 -3.294 92 HB2 ARG 12 2HB ARG 12 -8.356 -8.540 -2.154 93 HB3 ARG 12 1HB ARG 12 -9.499 -7.234 -2.388 94 HG2 ARG 12 2HG ARG 12 -9.334 -7.534 -4.821 95 HG3 ARG 12 1HG ARG 12 -8.193 -8.852 -4.565 96 HD2 ARG 12 2HD ARG 12 -10.500 -9.646 -4.945 97 HD3 ARG 12 1HD ARG 12 -9.852 -10.126 -3.375 98 HE ARG 12 HE ARG 12 -11.267 -7.672 -3.295 99 HH11 ARG 12 1HH1 ARG 12 -11.766 -11.188 -3.341 100 HH12 ARG 12 2HH1 ARG 12 -13.168 -11.152 -2.397 101 HH21 ARG 12 1HH2 ARG 12 -13.216 -7.644 -1.932 102 HH22 ARG 12 2HH2 ARG 12 -13.999 -9.133 -1.587 103 H PHE 13 H PHE 13 -7.868 -4.458 -1.969 104 HA PHE 13 HA PHE 13 -8.546 -3.172 -4.508 105 HB2 PHE 13 2HB PHE 13 -8.784 -2.150 -1.660 106 HB3 PHE 13 1HB PHE 13 -9.288 -1.287 -3.095 107 HD1 PHE 13 1HD PHE 13 -10.043 -4.070 -0.846 108 HD2 PHE 13 2HD PHE 13 -11.375 -1.781 -4.165 109 HE1 PHE 13 1HE PHE 13 -12.291 -5.029 -0.595 110 HE2 PHE 13 2HE PHE 13 -13.630 -2.741 -3.928 111 HZ PHE 13 HZ PHE 13 -14.083 -4.370 -2.130 112 H PHE 14 H PHE 14 -7.194 -1.567 -5.227 113 HA PHE 14 HA PHE 14 -4.965 -0.746 -3.564 114 HB2 PHE 14 2HB PHE 14 -4.661 -1.874 -6.347 115 HB3 PHE 14 1HB PHE 14 -3.422 -0.967 -5.491 116 HD1 PHE 14 2HD PHE 14 -2.804 -1.868 -3.157 117 HD2 PHE 14 1HD PHE 14 -4.660 -4.173 -6.198 118 HE1 PHE 14 2HE PHE 14 -1.968 -3.896 -2.102 119 HE2 PHE 14 1HE PHE 14 -3.834 -6.237 -5.146 120 HZ PHE 14 HZ PHE 14 -2.478 -6.110 -3.093 121 H GLU 15 H GLU 15 -4.315 1.288 -3.917 122 HA GLU 15 HA GLU 15 -5.768 2.869 -5.897 123 HB2 GLU 15 2HB GLU 15 -6.224 3.421 -3.537 124 HB3 GLU 15 1HB GLU 15 -4.514 3.651 -3.262 125 HG2 GLU 15 2HG GLU 15 -5.728 5.770 -3.492 126 HG3 GLU 15 1HG GLU 15 -4.480 5.569 -4.719 127 H SER 16 H SER 16 -4.598 4.014 -7.356 128 HA SER 16 HA SER 16 -1.702 3.703 -7.280 129 HB2 SER 16 2HB SER 16 -1.929 4.257 -9.716 130 HB3 SER 16 1HB SER 16 -2.727 2.761 -9.217 131 HG SER 16 HG SER 16 -4.157 3.855 -10.443 132 H HIS 17 H HIS 17 -4.223 5.972 -6.907 133 HA HIS 17 HA HIS 17 -2.788 8.314 -7.818 134 HB2 HIS 17 2HB HIS 17 -5.430 7.992 -6.366 135 HB3 HIS 17 1HB HIS 17 -4.755 9.538 -6.847 136 HD1 HIS 17 1HD HIS 17 -6.286 10.286 -8.673 137 HD2 HIS 17 2HD HIS 17 -5.084 6.351 -9.084 138 HE1 HIS 17 1HE HIS 17 -7.240 9.536 -10.859 139 HE2 HIS 17 2HE HIS 17 -6.635 7.101 -11.030 140 H VAL 18 H VAL 18 -1.681 6.667 -5.601 141 HA VAL 18 HA VAL 18 -1.822 8.373 -3.299 142 HB VAL 18 HB VAL 18 -0.161 5.912 -3.864 143 HG11 VAL 18 1HG1 VAL 18 0.827 7.344 -2.160 144 HG12 VAL 18 2HG1 VAL 18 0.196 5.854 -1.460 145 HG13 VAL 18 3HG1 VAL 18 -0.702 7.361 -1.285 146 HG21 VAL 18 3HG2 VAL 18 -2.725 6.244 -2.313 147 HG22 VAL 18 1HG2 VAL 18 -1.789 4.755 -2.437 148 HG23 VAL 18 2HG2 VAL 18 -2.543 5.445 -3.871 149 H ALA 19 H ALA 19 -0.586 10.146 -3.187 150 HA ALA 19 HA ALA 19 1.910 10.320 -4.701 151 HB1 ALA 19 1HB ALA 19 0.316 12.187 -4.919 152 HB2 ALA 19 2HB ALA 19 1.813 12.706 -4.121 153 HB3 ALA 19 3HB ALA 19 0.369 12.398 -3.165 154 H ARG 20 H ARG 20 3.818 10.112 -3.668 155 HA ARG 20 HA ARG 20 4.013 9.189 -1.058 156 HB2 ARG 20 2HB ARG 20 5.775 8.770 -2.641 157 HB3 ARG 20 1HB ARG 20 6.175 10.472 -2.751 158 HG2 ARG 20 2HG ARG 20 6.830 10.419 -0.341 159 HG3 ARG 20 1HG ARG 20 6.485 8.700 -0.343 160 HD2 ARG 20 2HD ARG 20 8.220 8.284 -1.915 161 HD3 ARG 20 1HD ARG 20 8.500 10.019 -2.153 162 HE ARG 20 HE ARG 20 8.761 9.371 0.555 163 HH11 ARG 20 1HH1 ARG 20 10.502 8.929 -2.492 164 HH12 ARG 20 2HH1 ARG 20 12.033 8.834 -1.772 165 HH21 ARG 20 1HH2 ARG 20 10.823 9.249 1.542 166 HH22 ARG 20 2HH2 ARG 20 12.234 9.002 0.613 167 H ALA 21 H ALA 21 4.219 12.471 -2.258 168 HA ALA 21 HA ALA 21 5.210 13.686 0.101 169 HB1 ALA 21 1HB ALA 21 4.471 15.786 -0.899 170 HB2 ALA 21 2HB ALA 21 3.546 14.892 -2.107 171 HB3 ALA 21 3HB ALA 21 5.307 14.778 -2.076 172 H ASN 22 H ASN 22 2.100 12.527 -0.797 173 HA ASN 22 HA ASN 22 0.829 13.994 1.391 174 HB2 ASN 22 2HB ASN 22 -0.209 14.156 -0.873 175 HB3 ASN 22 1HB ASN 22 -0.409 12.413 -0.878 176 HD21 ASN 22 1HD2 ASN 22 -2.606 12.627 -1.146 177 HD22 ASN 22 2HD2 ASN 22 -3.673 13.135 0.115 178 H VAL 23 H VAL 23 2.484 11.295 0.997 179 HA VAL 23 HA VAL 23 0.738 9.538 2.551 180 HB VAL 23 HB VAL 23 3.549 9.044 1.483 181 HG11 VAL 23 1HG1 VAL 23 3.164 6.716 2.065 182 HG12 VAL 23 2HG1 VAL 23 1.613 7.139 2.797 183 HG13 VAL 23 3HG1 VAL 23 3.116 7.743 3.500 184 HG21 VAL 23 3HG2 VAL 23 1.858 9.199 -0.263 185 HG22 VAL 23 1HG2 VAL 23 0.886 7.995 0.569 186 HG23 VAL 23 2HG2 VAL 23 2.451 7.549 -0.106 187 H LYS 24 H LYS 24 0.740 9.638 4.688 188 HA LYS 24 HA LYS 24 2.594 11.198 6.196 189 HB2 LYS 24 2HB LYS 24 0.192 10.733 6.912 190 HB3 LYS 24 1HB LYS 24 0.707 9.077 7.223 191 HG2 LYS 24 2HG LYS 24 2.080 9.822 8.908 192 HG3 LYS 24 1HG LYS 24 1.831 11.515 8.437 193 HD2 LYS 24 2HD LYS 24 -0.622 11.066 8.673 194 HD3 LYS 24 1HD LYS 24 -0.155 9.575 9.493 195 HE2 LYS 24 2HE LYS 24 0.740 12.286 10.176 196 HE3 LYS 24 1HE LYS 24 -0.680 11.408 10.784 197 HZ1 LYS 24 3HZ LYS 24 1.284 11.244 12.328 198 HZ2 LYS 24 1HZ LYS 24 2.182 10.553 11.088 199 HZ3 LYS 24 2HZ LYS 24 0.846 9.730 11.728 200 H ARG 25 H ARG 25 1.909 7.762 6.085 201 HA ARG 25 HA ARG 25 4.714 7.026 6.313 202 HB2 ARG 25 2HB ARG 25 3.799 7.369 8.665 203 HB3 ARG 25 1HB ARG 25 2.629 6.117 8.319 204 HG2 ARG 25 2HG ARG 25 4.402 5.186 9.631 205 HG3 ARG 25 1HG ARG 25 4.489 4.521 8.003 206 HD2 ARG 25 2HD ARG 25 6.277 6.000 7.429 207 HD3 ARG 25 1HD ARG 25 6.129 6.856 8.964 208 HE ARG 25 HE ARG 25 6.558 4.227 9.592 209 HH11 ARG 25 1HH1 ARG 25 8.335 6.704 7.790 210 HH12 ARG 25 2HH1 ARG 25 9.873 6.180 8.233 211 HH21 ARG 25 1HH2 ARG 25 8.661 3.470 10.257 212 HH22 ARG 25 2HH2 ARG 25 10.073 4.247 9.732 213 H LEU 26 H LEU 26 4.912 4.661 5.555 214 HA LEU 26 HA LEU 26 2.411 3.446 4.884 215 HB2 LEU 26 2HB LEU 26 2.744 3.204 2.581 216 HB3 LEU 26 1HB LEU 26 2.917 4.903 2.898 217 HG LEU 26 HG LEU 26 5.213 2.996 2.410 218 HD11 LEU 26 1HD1 LEU 26 5.254 4.048 0.199 219 HD12 LEU 26 2HD1 LEU 26 3.784 4.926 0.639 220 HD13 LEU 26 3HD1 LEU 26 3.767 3.160 0.553 221 HD21 LEU 26 3HD2 LEU 26 5.166 6.012 2.314 222 HD22 LEU 26 1HD2 LEU 26 6.537 4.950 2.023 223 HD23 LEU 26 2HD2 LEU 26 5.859 5.072 3.660 224 H LYS 27 H LYS 27 2.777 1.226 4.110 225 HA LYS 27 HA LYS 27 5.467 0.324 4.541 226 HB2 LYS 27 2HB LYS 27 4.022 0.481 6.745 227 HB3 LYS 27 1HB LYS 27 3.369 -1.041 6.151 228 HG2 LYS 27 2HG LYS 27 5.208 -1.382 7.722 229 HG3 LYS 27 1HG LYS 27 5.588 -1.986 6.096 230 HD2 LYS 27 2HD LYS 27 6.949 -0.103 5.599 231 HD3 LYS 27 1HD LYS 27 6.381 0.766 7.029 232 HE2 LYS 27 2HE LYS 27 8.591 -0.041 7.163 233 HE3 LYS 27 1HE LYS 27 7.567 -0.725 8.424 234 HZ1 LYS 27 3HZ LYS 27 7.419 -2.795 7.092 235 HZ2 LYS 27 1HZ LYS 27 9.019 -2.453 7.448 236 HZ3 LYS 27 2HZ LYS 27 8.409 -2.143 5.908 237 H ILE 28 H ILE 28 5.881 -1.650 3.540 238 HA ILE 28 HA ILE 28 3.689 -2.771 1.951 239 HB ILE 28 HB ILE 28 6.692 -3.091 1.611 240 HG12 ILE 28 2HG1 ILE 28 4.708 -1.451 0.008 241 HG13 ILE 28 1HG1 ILE 28 6.041 -0.856 0.982 242 HG21 ILE 28 1HG2 ILE 28 4.447 -4.103 -0.136 243 HG22 ILE 28 2HG2 ILE 28 5.521 -5.071 0.880 244 HG23 ILE 28 3HG2 ILE 28 6.175 -4.194 -0.505 245 HD11 ILE 28 3HD1 ILE 28 6.568 -0.763 -1.378 246 HD12 ILE 28 1HD1 ILE 28 6.284 -2.495 -1.531 247 HD13 ILE 28 2HD1 ILE 28 7.625 -1.905 -0.544 248 H LEU 29 H LEU 29 2.864 -4.532 2.844 249 HA LEU 29 HA LEU 29 4.590 -6.137 4.579 250 HB2 LEU 29 2HB LEU 29 2.203 -5.230 5.237 251 HB3 LEU 29 1HB LEU 29 1.630 -6.531 4.217 252 HG LEU 29 HG LEU 29 3.282 -6.868 6.733 253 HD11 LEU 29 1HD1 LEU 29 0.371 -7.375 6.226 254 HD12 LEU 29 2HD1 LEU 29 1.069 -6.105 7.233 255 HD13 LEU 29 3HD1 LEU 29 1.248 -7.798 7.697 256 HD21 LEU 29 3HD2 LEU 29 2.798 -9.257 6.537 257 HD22 LEU 29 1HD2 LEU 29 3.686 -8.689 5.118 258 HD23 LEU 29 2HD2 LEU 29 1.946 -8.965 5.024 259 H ASN 30 H ASN 30 5.498 -7.827 3.667 260 HA ASN 30 HA ASN 30 4.651 -8.788 1.061 261 HB2 ASN 30 2HB ASN 30 6.935 -9.722 2.841 262 HB3 ASN 30 1HB ASN 30 6.707 -10.118 1.150 263 HD21 ASN 30 1HD2 ASN 30 7.302 -8.611 -0.414 264 HD22 ASN 30 2HD2 ASN 30 8.179 -7.186 -0.042 265 H THR 31 H THR 31 2.897 -10.204 1.153 266 HA THR 31 HA THR 31 2.836 -12.067 3.381 267 HB THR 31 HB THR 31 0.526 -12.463 2.552 268 HG1 THR 31 1HG THR 31 1.394 -11.375 0.454 269 HG21 THR 31 3HG2 THR 31 1.211 -9.589 3.182 270 HG22 THR 31 1HG2 THR 31 0.992 -10.866 4.381 271 HG23 THR 31 2HG2 THR 31 -0.370 -10.339 3.386 272 HA PRO 32 HA PRO 32 3.905 -15.251 0.358 273 HB2 PRO 32 2HB PRO 32 3.540 -17.395 1.988 274 HB3 PRO 32 1HB PRO 32 4.964 -16.355 2.103 275 HG2 PRO 32 2HG PRO 32 2.475 -16.324 3.773 276 HG3 PRO 32 1HG PRO 32 4.165 -16.211 4.291 277 HD2 PRO 32 2HD PRO 32 2.566 -14.050 4.056 278 HD3 PRO 32 1HD PRO 32 4.314 -13.977 3.744 279 H ASN 33 H ASN 33 1.055 -14.926 2.249 280 HA ASN 33 HA ASN 33 -0.537 -16.860 0.884 281 HB2 ASN 33 2HB ASN 33 -2.434 -15.815 2.135 282 HB3 ASN 33 1HB ASN 33 -1.096 -16.304 3.173 283 HD21 ASN 33 1HD2 ASN 33 -2.946 -13.615 1.933 284 HD22 ASN 33 2HD2 ASN 33 -2.173 -12.449 2.930 285 H CYS 34 H CYS 34 -0.063 -13.360 0.558 286 HA CYS 34 HA CYS 34 -1.632 -13.590 -1.905 287 HB2 CYS 34 2HB CYS 34 -2.410 -11.865 0.025 288 HB3 CYS 34 1HB CYS 34 -1.084 -11.017 -0.518 289 H ALA 35 H ALA 35 0.323 -10.730 -1.193 290 HA ALA 35 HA ALA 35 2.698 -11.617 -2.331 291 HB1 ALA 35 1HB ALA 35 0.992 -9.859 -4.111 292 HB2 ALA 35 2HB ALA 35 1.415 -11.538 -4.427 293 HB3 ALA 35 3HB ALA 35 2.675 -10.301 -4.402 294 H LEU 36 H LEU 36 1.230 -8.446 -2.895 295 HA LEU 36 HA LEU 36 2.963 -7.335 -0.793 296 HB2 LEU 36 2HB LEU 36 2.615 -6.269 -3.585 297 HB3 LEU 36 1HB LEU 36 3.436 -5.441 -2.285 298 HG LEU 36 HG LEU 36 4.328 -8.014 -3.577 299 HD11 LEU 36 1HD1 LEU 36 5.399 -5.206 -3.693 300 HD12 LEU 36 2HD1 LEU 36 4.565 -6.041 -4.995 301 HD13 LEU 36 3HD1 LEU 36 6.150 -6.616 -4.446 302 HD21 LEU 36 3HD2 LEU 36 4.924 -7.929 -1.232 303 HD22 LEU 36 1HD2 LEU 36 5.565 -6.305 -1.441 304 HD23 LEU 36 2HD2 LEU 36 6.361 -7.674 -2.229 305 H GLN 37 H GLN 37 1.630 -6.377 0.605 306 HA GLN 37 HA GLN 37 -0.466 -4.735 -0.590 307 HB2 GLN 37 2HB GLN 37 -0.486 -6.017 2.162 308 HB3 GLN 37 1HB GLN 37 -1.651 -4.827 1.617 309 HG2 GLN 37 2HG GLN 37 -2.682 -6.939 1.399 310 HG3 GLN 37 1HG GLN 37 -2.284 -6.392 -0.221 311 HE21 GLN 37 1HE2 GLN 37 0.013 -7.777 2.042 312 HE22 GLN 37 2HE2 GLN 37 0.273 -9.225 1.144 313 H ILE 38 H ILE 38 -0.292 -2.700 -0.330 314 HA ILE 38 HA ILE 38 1.697 -1.657 1.590 315 HB ILE 38 HB ILE 38 0.822 -0.330 -0.956 316 HG12 ILE 38 2HG1 ILE 38 3.146 -2.272 -0.680 317 HG13 ILE 38 1HG1 ILE 38 1.657 -2.552 -1.552 318 HG21 ILE 38 1HG2 ILE 38 3.327 -0.146 0.753 319 HG22 ILE 38 2HG2 ILE 38 2.022 1.028 0.700 320 HG23 ILE 38 3HG2 ILE 38 3.041 0.775 -0.724 321 HD11 ILE 38 3HD1 ILE 38 3.628 -0.402 -2.202 322 HD12 ILE 38 1HD1 ILE 38 2.167 -0.784 -3.109 323 HD13 ILE 38 2HD1 ILE 38 3.498 -1.947 -3.037 324 H VAL 39 H VAL 39 1.021 0.302 2.642 325 HA VAL 39 HA VAL 39 -1.771 1.058 2.168 326 HB VAL 39 HB VAL 39 -2.161 1.350 4.612 327 HG11 VAL 39 1HG1 VAL 39 -2.946 -0.672 3.503 328 HG12 VAL 39 2HG1 VAL 39 -2.429 -1.032 5.147 329 HG13 VAL 39 3HG1 VAL 39 -1.391 -1.450 3.786 330 HG21 VAL 39 3HG2 VAL 39 -0.644 0.295 6.227 331 HG22 VAL 39 1HG2 VAL 39 0.171 1.581 5.337 332 HG23 VAL 39 2HG2 VAL 39 0.475 -0.108 4.925 333 H ALA 40 H ALA 40 -2.180 3.177 2.059 334 HA ALA 40 HA ALA 40 -0.024 5.029 2.870 335 HB1 ALA 40 1HB ALA 40 -1.960 5.341 0.589 336 HB2 ALA 40 2HB ALA 40 -0.291 4.884 0.400 337 HB3 ALA 40 3HB ALA 40 -0.696 6.468 1.042 338 H ARG 41 H ARG 41 -0.739 6.059 4.640 339 HA ARG 41 HA ARG 41 -3.485 7.011 4.565 340 HB2 ARG 41 2HB ARG 41 -2.881 6.034 6.728 341 HB3 ARG 41 1HB ARG 41 -1.484 7.110 6.791 342 HG2 ARG 41 2HG ARG 41 -2.753 8.927 7.237 343 HG3 ARG 41 1HG ARG 41 -4.247 8.199 6.641 344 HD2 ARG 41 2HD ARG 41 -4.186 8.323 9.115 345 HD3 ARG 41 1HD ARG 41 -4.262 6.665 8.507 346 HE ARG 41 HE ARG 41 -1.587 7.510 8.941 347 HH11 ARG 41 1HH1 ARG 41 -4.450 6.277 10.638 348 HH12 ARG 41 2HH1 ARG 41 -3.547 5.552 11.884 349 HH21 ARG 41 1HH2 ARG 41 -0.371 6.536 10.643 350 HH22 ARG 41 2HH2 ARG 41 -1.171 5.728 11.910 351 H LEU 42 H LEU 42 -3.949 8.787 3.991 352 HA LEU 42 HA LEU 42 -1.949 10.506 2.863 353 HB2 LEU 42 2HB LEU 42 -4.854 10.998 3.235 354 HB3 LEU 42 1HB LEU 42 -3.897 12.011 2.220 355 HG LEU 42 HG LEU 42 -5.029 9.342 1.816 356 HD11 LEU 42 1HD1 LEU 42 -5.388 10.093 -0.497 357 HD12 LEU 42 2HD1 LEU 42 -4.685 11.636 -0.051 358 HD13 LEU 42 3HD1 LEU 42 -6.173 11.074 0.726 359 HD21 LEU 42 3HD2 LEU 42 -2.470 10.108 0.391 360 HD22 LEU 42 1HD2 LEU 42 -3.493 8.741 -0.052 361 HD23 LEU 42 2HD2 LEU 42 -2.681 8.765 1.514 362 H LYS 43 H LYS 43 -1.166 12.389 3.514 363 HA LYS 43 HA LYS 43 -1.288 13.092 6.273 364 HB2 LYS 43 2HB LYS 43 -0.295 14.791 3.949 365 HB3 LYS 43 1HB LYS 43 0.034 15.069 5.643 366 HG2 LYS 43 2HG LYS 43 1.283 13.074 5.790 367 HG3 LYS 43 1HG LYS 43 0.974 12.743 4.079 368 HD2 LYS 43 2HD LYS 43 2.074 14.726 3.400 369 HD3 LYS 43 1HD LYS 43 2.193 15.304 5.063 370 HE2 LYS 43 2HE LYS 43 3.500 13.528 5.626 371 HE3 LYS 43 1HE LYS 43 3.509 12.826 3.993 372 HZ1 LYS 43 3HZ LYS 43 4.707 15.442 4.848 373 HZ2 LYS 43 1HZ LYS 43 4.551 14.969 3.234 374 HZ3 LYS 43 2HZ LYS 43 5.533 14.093 4.270 375 H ASN 44 H ASN 44 -2.719 14.324 3.336 376 HA ASN 44 HA ASN 44 -4.109 16.462 4.672 377 HB2 ASN 44 2HB ASN 44 -3.328 16.801 2.406 378 HB3 ASN 44 1HB ASN 44 -4.285 15.446 1.837 379 HD21 ASN 44 1HD2 ASN 44 -4.332 18.740 2.902 380 HD22 ASN 44 2HD2 ASN 44 -5.923 19.118 2.400 381 H ASN 45 H ASN 45 -5.187 13.594 2.848 382 HA ASN 45 HA ASN 45 -7.893 13.946 3.607 383 HB2 ASN 45 2HB ASN 45 -7.188 12.743 1.546 384 HB3 ASN 45 1HB ASN 45 -6.646 11.421 2.580 385 HD21 ASN 45 1HD2 ASN 45 -8.060 9.954 1.613 386 HD22 ASN 45 2HD2 ASN 45 -9.751 10.030 1.881 387 H ASN 46 H ASN 46 -5.224 12.313 5.052 388 HA ASN 46 HA ASN 46 -4.868 11.222 6.974 389 HB2 ASN 46 2HB ASN 46 -6.125 13.111 8.029 390 HB3 ASN 46 1HB ASN 46 -7.628 12.239 7.787 391 HD21 ASN 46 1HD2 ASN 46 -4.666 12.397 9.605 392 HD22 ASN 46 2HD2 ASN 46 -5.143 11.361 10.892 393 H ARG 47 H ARG 47 -6.634 10.139 4.699 394 HA ARG 47 HA ARG 47 -7.509 7.820 6.236 395 HB2 ARG 47 2HB ARG 47 -8.457 8.677 3.514 396 HB3 ARG 47 1HB ARG 47 -8.940 7.193 4.316 397 HG2 ARG 47 2HG ARG 47 -9.880 8.530 6.164 398 HG3 ARG 47 1HG ARG 47 -9.480 9.995 5.264 399 HD2 ARG 47 2HD ARG 47 -10.902 9.221 3.421 400 HD3 ARG 47 1HD ARG 47 -11.311 7.787 4.364 401 HE ARG 47 HE ARG 47 -11.819 10.253 5.709 402 HH11 ARG 47 1HH1 ARG 47 -13.176 7.883 3.474 403 HH12 ARG 47 2HH1 ARG 47 -14.801 8.244 3.806 404 HH21 ARG 47 1HH2 ARG 47 -14.066 10.773 6.187 405 HH22 ARG 47 2HH2 ARG 47 -15.323 9.924 5.398 406 H GLN 48 H GLN 48 -7.135 5.773 5.504 407 HA GLN 48 HA GLN 48 -4.643 5.553 4.090 408 HB2 GLN 48 2HB GLN 48 -4.419 4.837 6.264 409 HB3 GLN 48 1HB GLN 48 -6.001 4.086 6.271 410 HG2 GLN 48 2HG GLN 48 -5.253 2.389 4.828 411 HG3 GLN 48 1HG GLN 48 -3.680 3.142 4.635 412 HE21 GLN 48 1HE2 GLN 48 -3.627 3.803 7.572 413 HE22 GLN 48 2HE2 GLN 48 -3.313 2.309 8.372 414 H VAL 49 H VAL 49 -4.587 4.632 2.281 415 HA VAL 49 HA VAL 49 -6.637 2.703 1.549 416 HB VAL 49 HB VAL 49 -6.466 3.488 -0.833 417 HG11 VAL 49 1HG1 VAL 49 -7.853 5.497 -0.567 418 HG12 VAL 49 2HG1 VAL 49 -7.410 5.564 1.139 419 HG13 VAL 49 3HG1 VAL 49 -8.350 4.201 0.525 420 HG21 VAL 49 3HG2 VAL 49 -4.970 5.816 0.382 421 HG22 VAL 49 1HG2 VAL 49 -5.537 5.730 -1.283 422 HG23 VAL 49 2HG2 VAL 49 -4.299 4.610 -0.712 423 H CYS 50 H CYS 50 -5.910 0.973 0.460 424 HA CYS 50 HA CYS 50 -3.213 0.190 0.731 425 HB2 CYS 50 2HB CYS 50 -5.447 -0.917 -0.940 426 HB3 CYS 50 1HB CYS 50 -3.984 -1.801 -0.651 427 H ILE 51 H ILE 51 -1.520 0.377 -0.681 428 HA ILE 51 HA ILE 51 -1.993 1.992 -3.101 429 HB ILE 51 HB ILE 51 0.738 1.167 -2.119 430 HG12 ILE 51 2HG1 ILE 51 -0.822 3.577 -1.167 431 HG13 ILE 51 1HG1 ILE 51 -0.422 2.173 -0.187 432 HG21 ILE 51 1HG2 ILE 51 -0.287 3.538 -3.643 433 HG22 ILE 51 2HG2 ILE 51 0.590 2.164 -4.310 434 HG23 ILE 51 3HG2 ILE 51 1.396 3.272 -3.192 435 HD11 ILE 51 3HD1 ILE 51 1.215 3.835 0.366 436 HD12 ILE 51 1HD1 ILE 51 1.495 4.171 -1.355 437 HD13 ILE 51 2HD1 ILE 51 1.967 2.643 -0.666 438 H ASP 52 H ASP 52 -1.453 1.259 -5.129 439 HA ASP 52 HA ASP 52 -1.190 -1.603 -5.409 440 HB2 ASP 52 2HB ASP 52 -2.562 -0.135 -7.026 441 HB3 ASP 52 1HB ASP 52 -1.022 0.459 -7.612 442 HA PRO 53 HA PRO 53 3.270 -1.358 -5.411 443 HB2 PRO 53 2HB PRO 53 3.769 -3.906 -6.224 444 HB3 PRO 53 1HB PRO 53 3.285 -3.483 -4.587 445 HG2 PRO 53 2HG PRO 53 1.584 -4.497 -6.834 446 HG3 PRO 53 1HG PRO 53 1.588 -4.990 -5.129 447 HD2 PRO 53 2HD PRO 53 -0.248 -3.305 -6.127 448 HD3 PRO 53 1HD PRO 53 0.372 -3.142 -4.470 449 H LYS 54 H LYS 54 1.465 -1.105 -8.179 450 HA LYS 54 HA LYS 54 3.550 -1.665 -10.133 451 HB2 LYS 54 2HB LYS 54 1.199 0.227 -10.483 452 HB3 LYS 54 1HB LYS 54 2.257 -0.337 -11.744 453 HG2 LYS 54 2HG LYS 54 0.151 -1.921 -10.261 454 HG3 LYS 54 1HG LYS 54 0.078 -1.363 -11.919 455 HD2 LYS 54 2HD LYS 54 0.552 -3.653 -12.075 456 HD3 LYS 54 1HD LYS 54 2.118 -2.884 -12.313 457 HE2 LYS 54 2HE LYS 54 2.277 -4.814 -10.830 458 HE3 LYS 54 1HE LYS 54 2.690 -3.345 -9.964 459 HZ1 LYS 54 3HZ LYS 54 0.416 -3.314 -9.028 460 HZ2 LYS 54 1HZ LYS 54 1.218 -4.745 -8.644 461 HZ3 LYS 54 2HZ LYS 54 0.050 -4.719 -9.843 462 H LEU 55 H LEU 55 2.760 0.933 -8.014 463 HA LEU 55 HA LEU 55 3.971 3.029 -9.468 464 HB2 LEU 55 2HB LEU 55 3.613 2.793 -6.490 465 HB3 LEU 55 1HB LEU 55 3.981 4.267 -7.353 466 HG LEU 55 HG LEU 55 1.413 2.688 -7.521 467 HD11 LEU 55 1HD1 LEU 55 2.004 5.405 -6.376 468 HD12 LEU 55 2HD1 LEU 55 1.643 3.942 -5.462 469 HD13 LEU 55 3HD1 LEU 55 0.412 4.662 -6.498 470 HD21 LEU 55 3HD2 LEU 55 1.947 3.662 -9.678 471 HD22 LEU 55 1HD2 LEU 55 2.215 5.233 -8.913 472 HD23 LEU 55 2HD2 LEU 55 0.597 4.517 -8.923 473 H LYS 56 H LYS 56 5.965 3.441 -9.867 474 HA LYS 56 HA LYS 56 7.980 1.623 -9.036 475 HB2 LYS 56 2HB LYS 56 7.697 3.188 -11.224 476 HB3 LYS 56 1HB LYS 56 8.787 4.194 -10.292 477 HG2 LYS 56 2HG LYS 56 9.288 1.330 -11.090 478 HG3 LYS 56 1HG LYS 56 9.994 2.739 -11.888 479 HD2 LYS 56 2HD LYS 56 11.210 3.225 -9.787 480 HD3 LYS 56 1HD LYS 56 10.461 1.807 -9.043 481 HE2 LYS 56 2HE LYS 56 11.484 0.389 -10.807 482 HE3 LYS 56 1HE LYS 56 12.298 1.808 -11.445 483 HZ1 LYS 56 3HZ LYS 56 13.724 0.476 -10.040 484 HZ2 LYS 56 1HZ LYS 56 12.693 0.655 -8.736 485 HZ3 LYS 56 2HZ LYS 56 13.533 1.993 -9.332 486 H TRP 57 H TRP 57 7.006 4.886 -8.071 487 HA TRP 57 HA TRP 57 9.353 5.475 -6.620 488 HB2 TRP 57 2HB TRP 57 8.173 7.298 -5.521 489 HB3 TRP 57 1HB TRP 57 7.649 7.249 -7.188 490 HD1 TRP 57 HD TRP 57 5.026 7.037 -7.583 491 HE1 TRP 57 1HE TRP 57 2.983 6.936 -5.990 492 HE3 TRP 57 3HE TRP 57 7.447 6.308 -3.148 493 HZ2 TRP 57 2HZ TRP 57 2.479 6.567 -3.166 494 HZ3 TRP 57 3HZ TRP 57 6.143 6.090 -1.112 495 HH2 TRP 57 HH TRP 57 3.700 6.208 -1.139 496 H ILE 58 H ILE 58 6.565 3.642 -5.846 497 HA ILE 58 HA ILE 58 6.793 3.392 -3.065 498 HB ILE 58 HB ILE 58 5.590 1.760 -5.262 499 HG12 ILE 58 2HG1 ILE 58 4.461 3.774 -4.361 500 HG13 ILE 58 1HG1 ILE 58 3.466 2.354 -4.196 501 HG21 ILE 58 1HG2 ILE 58 5.594 0.804 -2.416 502 HG22 ILE 58 2HG2 ILE 58 6.441 0.073 -3.783 503 HG23 ILE 58 3HG2 ILE 58 4.678 0.124 -3.775 504 HD11 ILE 58 3HD1 ILE 58 5.094 3.646 -2.060 505 HD12 ILE 58 1HD1 ILE 58 4.179 2.150 -1.881 506 HD13 ILE 58 2HD1 ILE 58 3.351 3.666 -2.249 507 H GLN 59 H GLN 59 7.958 1.277 -5.645 508 HA GLN 59 HA GLN 59 9.289 -0.397 -3.780 509 HB2 GLN 59 2HB GLN 59 10.182 -1.583 -5.710 510 HB3 GLN 59 1HB GLN 59 8.443 -1.353 -5.774 511 HG2 GLN 59 2HG GLN 59 8.757 0.495 -7.334 512 HG3 GLN 59 1HG GLN 59 10.499 0.229 -7.281 513 HE21 GLN 59 1HE2 GLN 59 8.155 -2.342 -7.173 514 HE22 GLN 59 2HE2 GLN 59 8.510 -2.975 -8.713 515 H GLU 60 H GLU 60 10.217 2.351 -5.715 516 HA GLU 60 HA GLU 60 12.997 1.883 -5.448 517 HB2 GLU 60 2HB GLU 60 11.849 3.231 -7.270 518 HB3 GLU 60 1HB GLU 60 11.597 4.491 -6.078 519 HG2 GLU 60 2HG GLU 60 13.455 5.110 -7.391 520 HG3 GLU 60 1HG GLU 60 14.070 4.597 -5.816 521 H TYR 61 H TYR 61 10.731 2.867 -3.346 522 HA TYR 61 HA TYR 61 12.637 4.330 -1.686 523 HB2 TYR 61 2HB TYR 61 10.739 5.708 -2.176 524 HB3 TYR 61 1HB TYR 61 9.620 4.404 -1.851 525 HD1 TYR 61 2HD TYR 61 12.385 5.090 0.465 526 HD2 TYR 61 1HD TYR 61 8.294 5.811 -0.423 527 HE1 TYR 61 2HE TYR 61 12.040 5.952 2.763 528 HE2 TYR 61 1HE TYR 61 7.923 6.652 1.830 529 HH TYR 61 HH TYR 61 10.528 7.376 3.958 530 H LEU 62 H LEU 62 9.784 2.316 -1.259 531 HA LEU 62 HA LEU 62 10.648 1.370 1.247 532 HB2 LEU 62 2HB LEU 62 8.531 0.465 -0.620 533 HB3 LEU 62 1HB LEU 62 8.801 -0.401 0.854 534 HG LEU 62 HG LEU 62 6.951 1.015 1.206 535 HD11 LEU 62 1HD1 LEU 62 8.442 1.013 3.086 536 HD12 LEU 62 2HD1 LEU 62 7.621 2.562 2.943 537 HD13 LEU 62 3HD1 LEU 62 9.303 2.413 2.446 538 HD21 LEU 62 3HD2 LEU 62 8.575 3.265 0.044 539 HD22 LEU 62 1HD2 LEU 62 7.002 3.437 0.799 540 HD23 LEU 62 2HD2 LEU 62 7.163 2.489 -0.684 541 H GLU 63 H GLU 63 11.141 0.106 -1.981 542 HA GLU 63 HA GLU 63 11.870 -2.363 -0.641 543 HB2 GLU 63 2HB GLU 63 11.050 -1.925 -3.489 544 HB3 GLU 63 1HB GLU 63 11.750 -3.434 -2.918 545 HG2 GLU 63 2HG GLU 63 9.231 -2.164 -1.864 546 HG3 GLU 63 1HG GLU 63 9.309 -3.530 -2.979 547 H LYS 64 H LYS 64 13.136 0.211 -2.414 548 HA LYS 64 HA LYS 64 15.495 -1.367 -2.922 549 HB2 LYS 64 2HB LYS 64 14.552 0.017 -4.755 550 HB3 LYS 64 1HB LYS 64 14.910 1.455 -3.814 551 HG2 LYS 64 2HG LYS 64 16.608 1.104 -5.509 552 HG3 LYS 64 1HG LYS 64 17.303 0.906 -3.897 553 HD2 LYS 64 2HD LYS 64 17.162 -1.515 -4.109 554 HD3 LYS 64 1HD LYS 64 16.386 -1.347 -5.687 555 HE2 LYS 64 2HE LYS 64 18.401 -0.270 -6.544 556 HE3 LYS 64 1HE LYS 64 19.164 -0.435 -4.963 557 HZ1 LYS 64 3HZ LYS 64 19.842 -2.154 -6.496 558 HZ2 LYS 64 1HZ LYS 64 18.256 -2.689 -6.680 559 HZ3 LYS 64 2HZ LYS 64 19.028 -2.832 -5.185 560 H ALA 65 H ALA 65 14.285 1.135 -0.906 561 HA ALA 65 HA ALA 65 17.022 1.594 0.084 562 HB1 ALA 65 1HB ALA 65 15.748 3.618 -0.499 563 HB2 ALA 65 2HB ALA 65 16.161 3.577 1.222 564 HB3 ALA 65 3HB ALA 65 14.526 3.161 0.689 565 H LEU 66 H LEU 66 13.812 0.768 1.238 566 HA LEU 66 HA LEU 66 14.810 0.306 3.916 567 HB2 LEU 66 2HB LEU 66 12.165 -0.016 2.626 568 HB3 LEU 66 1HB LEU 66 12.391 -0.773 4.170 569 HG LEU 66 HG LEU 66 11.237 1.334 4.455 570 HD11 LEU 66 1HD1 LEU 66 12.709 2.560 5.949 571 HD12 LEU 66 2HD1 LEU 66 14.094 1.673 5.320 572 HD13 LEU 66 3HD1 LEU 66 12.822 0.818 6.192 573 HD21 LEU 66 3HD2 LEU 66 12.190 3.491 3.765 574 HD22 LEU 66 1HD2 LEU 66 11.891 2.446 2.374 575 HD23 LEU 66 2HD2 LEU 66 13.529 2.645 2.992 576 H ASN 67 H ASN 67 13.983 -1.627 1.215 577 HA ASN 67 HA ASN 67 14.333 -4.033 2.825 578 HB2 ASN 67 2HB ASN 67 12.405 -3.512 1.154 579 HB3 ASN 67 1HB ASN 67 13.590 -3.900 -0.062 580 HD21 ASN 67 1HD2 ASN 67 11.122 -5.118 0.841 581 HD22 ASN 67 2HD2 ASN 67 11.457 -6.800 1.078 582 H LYS 68 H LYS 68 15.375 -2.675 -0.257 583 HA LYS 68 HA LYS 68 17.170 -2.831 -1.537 584 HB2 LYS 68 2HB LYS 68 18.580 -3.647 1.009 585 HB3 LYS 68 1HB LYS 68 19.417 -3.331 -0.507 586 HG2 LYS 68 2HG LYS 68 18.483 -1.015 -0.384 587 HG3 LYS 68 1HG LYS 68 17.897 -1.414 1.234 588 HD2 LYS 68 2HD LYS 68 20.170 -1.928 1.942 589 HD3 LYS 68 1HD LYS 68 20.767 -1.565 0.323 590 HE2 LYS 68 2HE LYS 68 19.900 0.747 0.591 591 HE3 LYS 68 1HE LYS 68 19.462 0.348 2.249 592 HZ1 LYS 68 3HZ LYS 68 21.797 -0.136 2.695 593 HZ2 LYS 68 1HZ LYS 68 21.582 1.446 2.168 594 HZ3 LYS 68 2HZ LYS 68 22.205 0.309 1.112 Start of MODEL 5 1 H1 LYS 1 1HT LYS 1 -23.290 -6.170 -7.226 2 H2 LYS 1 2HT LYS 1 -22.789 -7.784 -7.096 3 H3 LYS 1 3HT LYS 1 -21.645 -6.570 -7.139 4 HA LYS 1 HA LYS 1 -22.433 -5.727 -5.032 5 HB2 LYS 1 2HB LYS 1 -24.156 -8.225 -5.084 6 HB3 LYS 1 1HB LYS 1 -23.966 -7.142 -3.722 7 HG2 LYS 1 2HG LYS 1 -25.042 -5.349 -4.993 8 HG3 LYS 1 1HG LYS 1 -25.218 -6.445 -6.363 9 HD2 LYS 1 2HD LYS 1 -26.591 -7.938 -5.004 10 HD3 LYS 1 1HD LYS 1 -26.421 -6.842 -3.632 11 HE2 LYS 1 2HE LYS 1 -27.544 -5.084 -4.914 12 HE3 LYS 1 1HE LYS 1 -27.718 -6.189 -6.276 13 HZ1 LYS 1 2HZ LYS 1 -28.910 -6.561 -3.583 14 HZ2 LYS 1 3HZ LYS 1 -29.092 -7.618 -4.869 15 HZ3 LYS 1 1HZ LYS 1 -29.739 -6.067 -4.951 16 HA PRO 2 HA PRO 2 -19.186 -8.397 -3.707 17 HB2 PRO 2 2HB PRO 2 -19.771 -7.833 -0.899 18 HB3 PRO 2 1HB PRO 2 -18.366 -7.351 -1.847 19 HG2 PRO 2 2HG PRO 2 -20.259 -5.591 -1.007 20 HG3 PRO 2 1HG PRO 2 -19.324 -5.365 -2.490 21 HD2 PRO 2 2HD PRO 2 -22.131 -6.334 -2.146 22 HD3 PRO 2 1HD PRO 2 -21.429 -5.289 -3.402 23 H VAL 3 H VAL 3 -20.071 -10.392 -4.219 24 HA VAL 3 HA VAL 3 -21.712 -11.683 -2.232 25 HB VAL 3 HB VAL 3 -22.186 -12.179 -4.626 26 HG11 VAL 3 1HG1 VAL 3 -20.706 -13.637 -5.933 27 HG12 VAL 3 2HG1 VAL 3 -19.474 -13.468 -4.688 28 HG13 VAL 3 3HG1 VAL 3 -20.011 -12.055 -5.609 29 HG21 VAL 3 3HG2 VAL 3 -22.848 -13.843 -2.992 30 HG22 VAL 3 1HG2 VAL 3 -21.256 -14.598 -3.087 31 HG23 VAL 3 2HG2 VAL 3 -22.333 -14.632 -4.483 32 H SER 4 H SER 4 -18.562 -11.660 -3.338 33 HA SER 4 HA SER 4 -17.767 -13.480 -1.180 34 HB2 SER 4 2HB SER 4 -16.135 -12.573 -3.570 35 HB3 SER 4 1HB SER 4 -15.661 -13.787 -2.380 36 HG SER 4 HG SER 4 -17.913 -14.644 -3.137 37 H LEU 5 H LEU 5 -17.761 -12.058 0.519 38 HA LEU 5 HA LEU 5 -16.176 -9.616 0.246 39 HB2 LEU 5 2HB LEU 5 -18.472 -9.455 1.221 40 HB3 LEU 5 1HB LEU 5 -17.970 -10.508 2.522 41 HG LEU 5 HG LEU 5 -16.356 -8.802 3.258 42 HD11 LEU 5 1HD1 LEU 5 -16.527 -6.521 2.375 43 HD12 LEU 5 2HD1 LEU 5 -17.629 -7.094 1.125 44 HD13 LEU 5 3HD1 LEU 5 -15.952 -7.657 1.159 45 HD21 LEU 5 3HD2 LEU 5 -18.563 -8.917 4.269 46 HD22 LEU 5 1HD2 LEU 5 -19.198 -7.846 3.019 47 HD23 LEU 5 2HD2 LEU 5 -18.006 -7.246 4.174 48 H SER 6 H SER 6 -15.699 -12.702 0.899 49 HA SER 6 HA SER 6 -13.898 -12.501 3.123 50 HB2 SER 6 2HB SER 6 -14.314 -14.734 1.121 51 HB3 SER 6 1HB SER 6 -13.502 -14.864 2.681 52 HG SER 6 HG SER 6 -15.662 -14.042 3.507 53 H TYR 7 H TYR 7 -11.815 -11.855 2.884 54 HA TYR 7 HA TYR 7 -10.416 -12.437 0.430 55 HB2 TYR 7 2HB TYR 7 -9.483 -10.095 0.308 56 HB3 TYR 7 1HB TYR 7 -11.181 -10.214 -0.105 57 HD1 TYR 7 1HD TYR 7 -12.888 -9.330 1.503 58 HD2 TYR 7 2HD TYR 7 -8.729 -8.758 2.131 59 HE1 TYR 7 1HE TYR 7 -13.385 -7.513 3.074 60 HE2 TYR 7 2HE TYR 7 -9.214 -6.941 3.716 61 HH TYR 7 HH TYR 7 -12.264 -6.414 5.002 62 H ARG 8 H ARG 8 -8.561 -13.157 0.701 63 HA ARG 8 HA ARG 8 -7.583 -13.207 3.449 64 HB2 ARG 8 2HB ARG 8 -6.230 -15.128 2.915 65 HB3 ARG 8 1HB ARG 8 -7.863 -15.428 2.385 66 HG2 ARG 8 2HG ARG 8 -5.597 -14.613 0.555 67 HG3 ARG 8 1HG ARG 8 -6.080 -16.275 0.856 68 HD2 ARG 8 2HD ARG 8 -8.306 -15.768 -0.078 69 HD3 ARG 8 1HD ARG 8 -7.778 -14.113 -0.381 70 HE ARG 8 HE ARG 8 -5.925 -15.685 -1.588 71 HH11 ARG 8 1HH1 ARG 8 -9.443 -15.271 -1.906 72 HH12 ARG 8 2HH1 ARG 8 -9.469 -15.687 -3.559 73 HH21 ARG 8 1HH2 ARG 8 -5.997 -16.240 -3.852 74 HH22 ARG 8 2HH2 ARG 8 -7.482 -16.233 -4.688 75 H CYS 9 H CYS 9 -7.173 -11.271 1.035 76 HA CYS 9 HA CYS 9 -4.324 -10.814 1.633 77 HB2 CYS 9 2HB CYS 9 -6.012 -9.690 -0.630 78 HB3 CYS 9 1HB CYS 9 -4.265 -9.564 -0.452 79 HA PRO 10 HA PRO 10 -5.877 -7.507 4.153 80 HB2 PRO 10 2HB PRO 10 -3.678 -5.826 3.955 81 HB3 PRO 10 1HB PRO 10 -3.858 -7.123 5.144 82 HG2 PRO 10 2HG PRO 10 -2.322 -7.047 2.606 83 HG3 PRO 10 1HG PRO 10 -1.965 -7.915 4.103 84 HD2 PRO 10 2HD PRO 10 -2.921 -9.127 1.873 85 HD3 PRO 10 1HD PRO 10 -3.275 -9.717 3.506 86 H CYS 11 H CYS 11 -4.825 -7.021 0.955 87 HA CYS 11 HA CYS 11 -6.580 -4.712 0.802 88 HB2 CYS 11 2HB CYS 11 -3.887 -4.971 -0.531 89 HB3 CYS 11 1HB CYS 11 -5.065 -3.723 -0.919 90 H ARG 12 H ARG 12 -8.192 -5.242 -0.338 91 HA ARG 12 HA ARG 12 -7.980 -7.241 -2.469 92 HB2 ARG 12 2HB ARG 12 -9.866 -7.185 -0.704 93 HB3 ARG 12 1HB ARG 12 -10.451 -5.745 -1.500 94 HG2 ARG 12 2HG ARG 12 -10.261 -8.475 -2.810 95 HG3 ARG 12 1HG ARG 12 -11.705 -7.839 -2.044 96 HD2 ARG 12 2HD ARG 12 -11.734 -6.002 -3.695 97 HD3 ARG 12 1HD ARG 12 -10.301 -6.685 -4.461 98 HE ARG 12 HE ARG 12 -12.146 -8.719 -4.387 99 HH11 ARG 12 1HH1 ARG 12 -12.007 -5.505 -5.882 100 HH12 ARG 12 2HH1 ARG 12 -13.063 -5.898 -7.147 101 HH21 ARG 12 1HH2 ARG 12 -13.563 -9.248 -6.151 102 HH22 ARG 12 2HH2 ARG 12 -13.962 -8.071 -7.321 103 H PHE 13 H PHE 13 -8.352 -3.858 -1.857 104 HA PHE 13 HA PHE 13 -8.480 -3.268 -4.727 105 HB2 PHE 13 2HB PHE 13 -9.374 -1.543 -2.396 106 HB3 PHE 13 1HB PHE 13 -9.485 -1.121 -4.098 107 HD1 PHE 13 2HD PHE 13 -11.116 -2.266 -5.553 108 HD2 PHE 13 1HD PHE 13 -10.958 -2.992 -1.361 109 HE1 PHE 13 2HE PHE 13 -13.356 -3.284 -5.643 110 HE2 PHE 13 1HE PHE 13 -13.190 -4.012 -1.447 111 HZ PHE 13 HZ PHE 13 -14.394 -4.160 -3.593 112 H PHE 14 H PHE 14 -7.170 -1.477 -5.409 113 HA PHE 14 HA PHE 14 -5.039 -0.637 -3.602 114 HB2 PHE 14 2HB PHE 14 -4.652 -1.774 -6.370 115 HB3 PHE 14 1HB PHE 14 -3.420 -0.906 -5.468 116 HD1 PHE 14 2HD PHE 14 -2.703 -1.824 -3.278 117 HD2 PHE 14 1HD PHE 14 -4.962 -4.054 -6.075 118 HE1 PHE 14 2HE PHE 14 -1.985 -3.846 -2.193 119 HE2 PHE 14 1HE PHE 14 -4.257 -6.142 -4.998 120 HZ PHE 14 HZ PHE 14 -2.749 -6.060 -3.043 121 H GLU 15 H GLU 15 -4.308 1.457 -4.055 122 HA GLU 15 HA GLU 15 -5.621 2.804 -6.281 123 HB2 GLU 15 2HB GLU 15 -6.230 3.621 -3.989 124 HB3 GLU 15 1HB GLU 15 -4.563 4.053 -3.720 125 HG2 GLU 15 2HG GLU 15 -4.624 5.584 -5.609 126 HG3 GLU 15 1HG GLU 15 -6.314 5.176 -5.902 127 H SER 16 H SER 16 -4.347 3.711 -7.772 128 HA SER 16 HA SER 16 -1.436 3.544 -7.424 129 HB2 SER 16 2HB SER 16 -3.124 3.826 -9.912 130 HB3 SER 16 1HB SER 16 -1.380 3.594 -9.895 131 HG SER 16 HG SER 16 -3.241 1.845 -8.708 132 H HIS 17 H HIS 17 -3.783 5.684 -6.985 133 HA HIS 17 HA HIS 17 -2.620 7.989 -8.355 134 HB2 HIS 17 2HB HIS 17 -5.043 7.853 -6.541 135 HB3 HIS 17 1HB HIS 17 -4.543 9.257 -7.465 136 HD1 HIS 17 1HD HIS 17 -7.340 7.731 -7.718 137 HD2 HIS 17 2HD HIS 17 -4.084 7.322 -10.281 138 HE1 HIS 17 1HE HIS 17 -8.295 7.000 -9.905 139 HE2 HIS 17 2HE HIS 17 -6.341 7.030 -11.492 140 H VAL 18 H VAL 18 -1.913 6.385 -5.620 141 HA VAL 18 HA VAL 18 -1.797 8.355 -3.646 142 HB VAL 18 HB VAL 18 -0.170 5.828 -3.931 143 HG11 VAL 18 1HG1 VAL 18 0.711 7.372 -2.266 144 HG12 VAL 18 2HG1 VAL 18 0.031 5.926 -1.519 145 HG13 VAL 18 3HG1 VAL 18 -0.875 7.438 -1.501 146 HG21 VAL 18 3HG2 VAL 18 -2.832 6.270 -2.587 147 HG22 VAL 18 1HG2 VAL 18 -1.899 4.775 -2.537 148 HG23 VAL 18 2HG2 VAL 18 -2.553 5.356 -4.065 149 H ALA 19 H ALA 19 -0.296 9.859 -3.201 150 HA ALA 19 HA ALA 19 2.194 9.916 -4.780 151 HB1 ALA 19 1HB ALA 19 0.677 11.803 -5.259 152 HB2 ALA 19 2HB ALA 19 2.155 12.354 -4.460 153 HB3 ALA 19 3HB ALA 19 0.665 12.204 -3.535 154 H ARG 20 H ARG 20 4.076 9.941 -3.657 155 HA ARG 20 HA ARG 20 4.133 9.048 -0.992 156 HB2 ARG 20 2HB ARG 20 5.888 8.601 -2.647 157 HB3 ARG 20 1HB ARG 20 6.399 10.269 -2.592 158 HG2 ARG 20 2HG ARG 20 6.963 9.947 -0.168 159 HG3 ARG 20 1HG ARG 20 6.544 8.250 -0.363 160 HD2 ARG 20 2HD ARG 20 8.945 8.543 -0.568 161 HD3 ARG 20 1HD ARG 20 8.262 8.047 -2.119 162 HE ARG 20 HE ARG 20 8.464 10.877 -1.781 163 HH11 ARG 20 1HH1 ARG 20 10.214 8.009 -2.921 164 HH12 ARG 20 2HH1 ARG 20 11.304 8.876 -3.875 165 HH21 ARG 20 1HH2 ARG 20 9.993 12.070 -3.095 166 HH22 ARG 20 2HH2 ARG 20 11.181 11.240 -3.976 167 H ALA 21 H ALA 21 4.335 12.235 -2.367 168 HA ALA 21 HA ALA 21 5.355 13.613 -0.138 169 HB1 ALA 21 1HB ALA 21 4.488 15.630 -1.203 170 HB2 ALA 21 2HB ALA 21 3.512 14.648 -2.294 171 HB3 ALA 21 3HB ALA 21 5.272 14.587 -2.389 172 H ASN 22 H ASN 22 2.148 12.505 -0.951 173 HA ASN 22 HA ASN 22 0.976 13.953 1.308 174 HB2 ASN 22 2HB ASN 22 -0.189 14.019 -0.893 175 HB3 ASN 22 1HB ASN 22 -0.364 12.272 -0.835 176 HD21 ASN 22 1HD2 ASN 22 -2.582 12.402 -0.957 177 HD22 ASN 22 2HD2 ASN 22 -3.583 12.952 0.335 178 H VAL 23 H VAL 23 2.449 11.058 0.715 179 HA VAL 23 HA VAL 23 0.795 9.439 2.465 180 HB VAL 23 HB VAL 23 3.543 8.827 1.301 181 HG11 VAL 23 1HG1 VAL 23 3.079 6.531 1.929 182 HG12 VAL 23 2HG1 VAL 23 1.576 7.022 2.709 183 HG13 VAL 23 3HG1 VAL 23 3.126 7.576 3.352 184 HG21 VAL 23 3HG2 VAL 23 1.815 9.028 -0.389 185 HG22 VAL 23 1HG2 VAL 23 0.803 7.893 0.495 186 HG23 VAL 23 2HG2 VAL 23 2.326 7.352 -0.206 187 H LYS 24 H LYS 24 0.889 9.575 4.589 188 HA LYS 24 HA LYS 24 2.940 11.069 5.910 189 HB2 LYS 24 2HB LYS 24 0.560 10.955 6.821 190 HB3 LYS 24 1HB LYS 24 0.850 9.229 7.105 191 HG2 LYS 24 2HG LYS 24 2.397 9.858 8.714 192 HG3 LYS 24 1HG LYS 24 2.253 11.557 8.236 193 HD2 LYS 24 2HD LYS 24 -0.177 11.424 8.711 194 HD3 LYS 24 1HD LYS 24 0.103 9.800 9.361 195 HE2 LYS 24 2HE LYS 24 1.752 10.660 10.699 196 HE3 LYS 24 1HE LYS 24 1.383 12.313 10.204 197 HZ1 LYS 24 3HZ LYS 24 -0.905 12.026 11.060 198 HZ2 LYS 24 1HZ LYS 24 0.200 11.846 12.319 199 HZ3 LYS 24 2HZ LYS 24 -0.517 10.491 11.622 200 H ARG 25 H ARG 25 1.846 7.766 6.049 201 HA ARG 25 HA ARG 25 4.567 6.779 6.317 202 HB2 ARG 25 2HB ARG 25 3.687 7.091 8.631 203 HB3 ARG 25 1HB ARG 25 2.308 6.094 8.221 204 HG2 ARG 25 2HG ARG 25 3.892 4.808 9.510 205 HG3 ARG 25 1HG ARG 25 3.822 4.184 7.859 206 HD2 ARG 25 2HD ARG 25 5.865 5.419 7.309 207 HD3 ARG 25 1HD ARG 25 5.930 6.049 8.953 208 HE ARG 25 HE ARG 25 5.836 3.246 9.030 209 HH11 ARG 25 1HH1 ARG 25 8.069 5.842 8.153 210 HH12 ARG 25 2HH1 ARG 25 9.472 4.936 8.461 211 HH21 ARG 25 1HH2 ARG 25 7.773 2.003 9.449 212 HH22 ARG 25 2HH2 ARG 25 9.298 2.690 9.212 213 H LEU 26 H LEU 26 4.752 4.795 5.233 214 HA LEU 26 HA LEU 26 2.272 3.441 4.597 215 HB2 LEU 26 2HB LEU 26 2.887 2.950 2.382 216 HB3 LEU 26 1HB LEU 26 2.937 4.678 2.568 217 HG LEU 26 HG LEU 26 5.411 2.943 2.634 218 HD11 LEU 26 1HD1 LEU 26 5.692 3.495 0.289 219 HD12 LEU 26 2HD1 LEU 26 4.130 4.329 0.308 220 HD13 LEU 26 3HD1 LEU 26 4.202 2.584 0.586 221 HD21 LEU 26 3HD2 LEU 26 5.057 5.865 1.962 222 HD22 LEU 26 1HD2 LEU 26 6.551 4.937 1.970 223 HD23 LEU 26 2HD2 LEU 26 5.702 5.242 3.498 224 H LYS 27 H LYS 27 2.634 1.241 3.963 225 HA LYS 27 HA LYS 27 5.200 0.151 4.719 226 HB2 LYS 27 2HB LYS 27 3.976 0.166 6.766 227 HB3 LYS 27 1HB LYS 27 2.604 -0.700 6.013 228 HG2 LYS 27 2HG LYS 27 3.843 -2.220 7.376 229 HG3 LYS 27 1HG LYS 27 4.236 -2.592 5.696 230 HD2 LYS 27 2HD LYS 27 6.347 -2.572 6.849 231 HD3 LYS 27 1HD LYS 27 6.130 -1.066 5.932 232 HE2 LYS 27 2HE LYS 27 7.096 -0.677 8.189 233 HE3 LYS 27 1HE LYS 27 5.604 0.196 7.881 234 HZ1 LYS 27 3HZ LYS 27 4.419 -1.485 9.193 235 HZ2 LYS 27 1HZ LYS 27 5.672 -0.805 10.082 236 HZ3 LYS 27 2HZ LYS 27 5.855 -2.332 9.414 237 H ILE 28 H ILE 28 5.663 -1.566 3.573 238 HA ILE 28 HA ILE 28 3.671 -2.651 1.726 239 HB ILE 28 HB ILE 28 6.693 -2.815 1.738 240 HG12 ILE 28 2HG1 ILE 28 4.739 -1.501 -0.159 241 HG13 ILE 28 1HG1 ILE 28 5.973 -0.734 0.822 242 HG21 ILE 28 1HG2 ILE 28 4.799 -4.239 -0.086 243 HG22 ILE 28 2HG2 ILE 28 5.919 -4.967 1.069 244 HG23 ILE 28 3HG2 ILE 28 6.539 -4.118 -0.350 245 HD11 ILE 28 3HD1 ILE 28 6.664 -0.779 -1.477 246 HD12 ILE 28 1HD1 ILE 28 6.421 -2.522 -1.555 247 HD13 ILE 28 2HD1 ILE 28 7.696 -1.856 -0.536 248 H LEU 29 H LEU 29 2.931 -4.674 2.065 249 HA LEU 29 HA LEU 29 4.437 -6.289 3.997 250 HB2 LEU 29 2HB LEU 29 2.085 -5.261 4.603 251 HB3 LEU 29 1HB LEU 29 1.470 -6.526 3.575 252 HG LEU 29 HG LEU 29 2.975 -6.843 6.166 253 HD11 LEU 29 1HD1 LEU 29 0.160 -7.522 5.412 254 HD12 LEU 29 2HD1 LEU 29 0.695 -6.221 6.477 255 HD13 LEU 29 3HD1 LEU 29 0.932 -7.905 6.950 256 HD21 LEU 29 3HD2 LEU 29 2.665 -9.263 5.947 257 HD22 LEU 29 1HD2 LEU 29 3.669 -8.627 4.643 258 HD23 LEU 29 2HD2 LEU 29 1.982 -9.024 4.338 259 H ASN 30 H ASN 30 5.424 -7.756 2.772 260 HA ASN 30 HA ASN 30 4.161 -8.860 0.401 261 HB2 ASN 30 2HB ASN 30 6.914 -9.204 1.604 262 HB3 ASN 30 1HB ASN 30 6.354 -10.219 0.292 263 HD21 ASN 30 1HD2 ASN 30 7.395 -7.039 1.211 264 HD22 ASN 30 2HD2 ASN 30 7.603 -6.419 -0.374 265 H THR 31 H THR 31 2.546 -10.201 0.991 266 HA THR 31 HA THR 31 2.913 -12.019 3.187 267 HB THR 31 HB THR 31 0.624 -12.725 2.558 268 HG1 THR 31 1HG THR 31 1.223 -11.801 0.346 269 HG21 THR 31 3HG2 THR 31 0.933 -9.740 2.845 270 HG22 THR 31 1HG2 THR 31 0.994 -10.893 4.196 271 HG23 THR 31 2HG2 THR 31 -0.497 -10.662 3.268 272 HA PRO 32 HA PRO 32 4.223 -15.240 0.279 273 HB2 PRO 32 2HB PRO 32 3.969 -17.316 2.090 274 HB3 PRO 32 1HB PRO 32 5.404 -16.296 1.965 275 HG2 PRO 32 2HG PRO 32 3.153 -16.175 3.917 276 HG3 PRO 32 1HG PRO 32 4.877 -15.870 4.178 277 HD2 PRO 32 2HD PRO 32 3.026 -13.915 3.966 278 HD3 PRO 32 1HD PRO 32 4.711 -13.682 3.470 279 H ASN 33 H ASN 33 1.480 -15.173 2.319 280 HA ASN 33 HA ASN 33 -0.092 -17.188 1.125 281 HB2 ASN 33 2HB ASN 33 -1.037 -16.749 3.125 282 HB3 ASN 33 1HB ASN 33 -0.495 -15.071 3.115 283 HD21 ASN 33 1HD2 ASN 33 -1.774 -13.542 2.362 284 HD22 ASN 33 2HD2 ASN 33 -3.402 -13.729 1.882 285 H CYS 34 H CYS 34 -0.159 -13.635 0.602 286 HA CYS 34 HA CYS 34 -1.772 -14.184 -1.781 287 HB2 CYS 34 2HB CYS 34 -2.515 -12.450 0.114 288 HB3 CYS 34 1HB CYS 34 -1.274 -11.508 -0.538 289 H ALA 35 H ALA 35 0.184 -11.238 -1.284 290 HA ALA 35 HA ALA 35 2.495 -11.965 -2.790 291 HB1 ALA 35 1HB ALA 35 0.474 -10.324 -4.307 292 HB2 ALA 35 2HB ALA 35 0.806 -12.020 -4.663 293 HB3 ALA 35 3HB ALA 35 2.082 -10.815 -4.839 294 H LEU 36 H LEU 36 0.693 -8.979 -2.914 295 HA LEU 36 HA LEU 36 2.723 -7.901 -1.196 296 HB2 LEU 36 2HB LEU 36 3.490 -8.304 -3.691 297 HB3 LEU 36 1HB LEU 36 2.598 -6.826 -3.971 298 HG LEU 36 HG LEU 36 4.782 -7.204 -2.039 299 HD11 LEU 36 1HD1 LEU 36 6.169 -5.848 -3.620 300 HD12 LEU 36 2HD1 LEU 36 4.836 -5.888 -4.784 301 HD13 LEU 36 3HD1 LEU 36 5.651 -7.386 -4.300 302 HD21 LEU 36 3HD2 LEU 36 3.403 -5.407 -1.327 303 HD22 LEU 36 1HD2 LEU 36 3.370 -4.703 -2.943 304 HD23 LEU 36 2HD2 LEU 36 4.869 -4.698 -2.012 305 H GLN 37 H GLN 37 1.517 -6.585 0.020 306 HA GLN 37 HA GLN 37 -0.489 -4.929 -1.309 307 HB2 GLN 37 2HB GLN 37 -0.790 -6.215 1.423 308 HB3 GLN 37 1HB GLN 37 -1.916 -5.074 0.715 309 HG2 GLN 37 2HG GLN 37 -2.905 -7.198 0.418 310 HG3 GLN 37 1HG GLN 37 -2.261 -6.755 -1.152 311 HE21 GLN 37 1HE2 GLN 37 -0.325 -7.991 1.529 312 HE22 GLN 37 2HE2 GLN 37 0.061 -9.490 0.780 313 H ILE 38 H ILE 38 -0.428 -2.804 -0.782 314 HA ILE 38 HA ILE 38 1.592 -1.989 1.210 315 HB ILE 38 HB ILE 38 0.840 -0.526 -1.314 316 HG12 ILE 38 2HG1 ILE 38 3.181 -2.397 -0.894 317 HG13 ILE 38 1HG1 ILE 38 1.762 -2.723 -1.869 318 HG21 ILE 38 1HG2 ILE 38 3.211 -0.324 0.571 319 HG22 ILE 38 2HG2 ILE 38 1.885 0.827 0.447 320 HG23 ILE 38 3HG2 ILE 38 3.006 0.622 -0.902 321 HD11 ILE 38 3HD1 ILE 38 3.690 -0.500 -2.343 322 HD12 ILE 38 1HD1 ILE 38 2.317 -0.924 -3.363 323 HD13 ILE 38 2HD1 ILE 38 3.685 -2.037 -3.200 324 H VAL 39 H VAL 39 1.022 -0.028 2.373 325 HA VAL 39 HA VAL 39 -1.722 0.902 1.924 326 HB VAL 39 HB VAL 39 -2.068 1.154 4.374 327 HG11 VAL 39 1HG1 VAL 39 -2.971 -0.775 3.208 328 HG12 VAL 39 2HG1 VAL 39 -2.486 -1.216 4.848 329 HG13 VAL 39 3HG1 VAL 39 -1.470 -1.661 3.472 330 HG21 VAL 39 3HG2 VAL 39 -0.585 -0.020 5.949 331 HG22 VAL 39 1HG2 VAL 39 0.286 1.235 5.061 332 HG23 VAL 39 2HG2 VAL 39 0.481 -0.457 4.611 333 H ALA 40 H ALA 40 -2.054 3.050 1.997 334 HA ALA 40 HA ALA 40 0.235 4.783 2.721 335 HB1 ALA 40 1HB ALA 40 -1.909 5.239 0.656 336 HB2 ALA 40 2HB ALA 40 -0.256 4.794 0.282 337 HB3 ALA 40 3HB ALA 40 -0.599 6.337 1.035 338 H ARG 41 H ARG 41 -0.269 6.017 4.487 339 HA ARG 41 HA ARG 41 -3.080 6.733 4.677 340 HB2 ARG 41 2HB ARG 41 -2.254 5.741 6.733 341 HB3 ARG 41 1HB ARG 41 -0.984 6.978 6.857 342 HG2 ARG 41 2HG ARG 41 -2.534 8.600 7.303 343 HG3 ARG 41 1HG ARG 41 -3.888 7.634 6.719 344 HD2 ARG 41 2HD ARG 41 -3.353 6.012 8.548 345 HD3 ARG 41 1HD ARG 41 -2.247 7.227 9.218 346 HE ARG 41 HE ARG 41 -4.658 8.495 8.888 347 HH11 ARG 41 1HH1 ARG 41 -3.481 5.757 10.776 348 HH12 ARG 41 2HH1 ARG 41 -4.741 5.828 11.920 349 HH21 ARG 41 1HH2 ARG 41 -6.365 8.607 10.424 350 HH22 ARG 41 2HH2 ARG 41 -6.408 7.498 11.726 351 H LEU 42 H LEU 42 -3.711 8.601 4.320 352 HA LEU 42 HA LEU 42 -1.841 10.387 3.044 353 HB2 LEU 42 2HB LEU 42 -4.734 10.881 3.638 354 HB3 LEU 42 1HB LEU 42 -3.818 11.794 2.491 355 HG LEU 42 HG LEU 42 -5.047 9.137 2.322 356 HD11 LEU 42 1HD1 LEU 42 -5.653 9.786 0.066 357 HD12 LEU 42 2HD1 LEU 42 -4.864 11.337 0.334 358 HD13 LEU 42 3HD1 LEU 42 -6.249 10.864 1.322 359 HD21 LEU 42 3HD2 LEU 42 -2.629 9.818 0.632 360 HD22 LEU 42 1HD2 LEU 42 -3.691 8.433 0.364 361 HD23 LEU 42 2HD2 LEU 42 -2.732 8.533 1.836 362 H LYS 43 H LYS 43 -1.003 12.217 3.770 363 HA LYS 43 HA LYS 43 -1.044 12.850 6.534 364 HB2 LYS 43 2HB LYS 43 -0.165 14.590 4.195 365 HB3 LYS 43 1HB LYS 43 0.248 14.866 5.871 366 HG2 LYS 43 2HG LYS 43 1.544 12.955 5.971 367 HG3 LYS 43 1HG LYS 43 1.061 12.487 4.333 368 HD2 LYS 43 2HD LYS 43 2.081 14.413 3.399 369 HD3 LYS 43 1HD LYS 43 2.372 15.103 4.999 370 HE2 LYS 43 2HE LYS 43 3.753 13.443 5.552 371 HE3 LYS 43 1HE LYS 43 3.524 12.502 4.062 372 HZ1 LYS 43 3HZ LYS 43 4.781 15.197 4.312 373 HZ2 LYS 43 1HZ LYS 43 4.413 14.481 2.851 374 HZ3 LYS 43 2HZ LYS 43 5.591 13.786 3.861 375 H ASN 44 H ASN 44 -2.548 14.104 3.667 376 HA ASN 44 HA ASN 44 -3.923 16.276 4.913 377 HB2 ASN 44 2HB ASN 44 -3.273 16.524 2.643 378 HB3 ASN 44 1HB ASN 44 -4.066 15.038 2.169 379 HD21 ASN 44 1HD2 ASN 44 -5.464 17.569 4.239 380 HD22 ASN 44 2HD2 ASN 44 -6.679 18.020 3.109 381 H ASN 45 H ASN 45 -5.191 13.382 3.219 382 HA ASN 45 HA ASN 45 -7.810 13.774 4.191 383 HB2 ASN 45 2HB ASN 45 -7.126 12.453 2.136 384 HB3 ASN 45 1HB ASN 45 -6.752 11.129 3.241 385 HD21 ASN 45 1HD2 ASN 45 -8.637 11.041 1.126 386 HD22 ASN 45 2HD2 ASN 45 -10.197 10.813 1.814 387 H ASN 46 H ASN 46 -5.050 12.029 5.383 388 HA ASN 46 HA ASN 46 -4.554 10.836 7.241 389 HB2 ASN 46 2HB ASN 46 -5.634 12.854 8.402 390 HB3 ASN 46 1HB ASN 46 -7.141 11.951 8.419 391 HD21 ASN 46 1HD2 ASN 46 -7.195 12.000 10.684 392 HD22 ASN 46 2HD2 ASN 46 -6.142 11.035 11.650 393 H ARG 47 H ARG 47 -6.404 9.966 5.112 394 HA ARG 47 HA ARG 47 -7.421 7.611 6.498 395 HB2 ARG 47 2HB ARG 47 -8.276 8.799 3.885 396 HB3 ARG 47 1HB ARG 47 -8.781 7.208 4.376 397 HG2 ARG 47 2HG ARG 47 -9.817 8.202 6.404 398 HG3 ARG 47 1HG ARG 47 -9.390 9.801 5.783 399 HD2 ARG 47 2HD ARG 47 -10.720 9.375 3.791 400 HD3 ARG 47 1HD ARG 47 -11.137 7.775 4.396 401 HE ARG 47 HE ARG 47 -11.843 9.747 6.272 402 HH11 ARG 47 1HH1 ARG 47 -12.841 8.421 3.136 403 HH12 ARG 47 2HH1 ARG 47 -14.471 8.872 3.298 404 HH21 ARG 47 1HH2 ARG 47 -14.136 10.399 6.474 405 HH22 ARG 47 2HH2 ARG 47 -15.212 10.006 5.212 406 H GLN 48 H GLN 48 -7.127 5.587 5.544 407 HA GLN 48 HA GLN 48 -4.613 5.478 4.171 408 HB2 GLN 48 2HB GLN 48 -4.331 4.569 6.236 409 HB3 GLN 48 1HB GLN 48 -5.935 3.869 6.267 410 HG2 GLN 48 2HG GLN 48 -5.299 2.210 4.732 411 HG3 GLN 48 1HG GLN 48 -3.730 2.968 4.468 412 HE21 GLN 48 1HE2 GLN 48 -4.458 0.249 5.414 413 HE22 GLN 48 2HE2 GLN 48 -3.710 0.090 6.960 414 H VAL 49 H VAL 49 -4.509 4.676 2.290 415 HA VAL 49 HA VAL 49 -6.588 2.864 1.299 416 HB VAL 49 HB VAL 49 -6.276 3.821 -0.972 417 HG11 VAL 49 1HG1 VAL 49 -7.482 5.928 -0.636 418 HG12 VAL 49 2HG1 VAL 49 -7.085 5.875 1.081 419 HG13 VAL 49 3HG1 VAL 49 -8.122 4.634 0.382 420 HG21 VAL 49 3HG2 VAL 49 -4.607 5.930 0.416 421 HG22 VAL 49 1HG2 VAL 49 -5.123 5.976 -1.272 422 HG23 VAL 49 2HG2 VAL 49 -4.015 4.720 -0.720 423 H CYS 50 H CYS 50 -5.845 1.187 0.077 424 HA CYS 50 HA CYS 50 -3.148 0.400 0.500 425 HB2 CYS 50 2HB CYS 50 -5.367 -0.753 -1.156 426 HB3 CYS 50 1HB CYS 50 -3.830 -1.562 -0.961 427 H ILE 51 H ILE 51 -1.474 0.334 -0.938 428 HA ILE 51 HA ILE 51 -1.864 2.001 -3.340 429 HB ILE 51 HB ILE 51 0.848 1.178 -2.317 430 HG12 ILE 51 2HG1 ILE 51 -0.716 3.589 -1.370 431 HG13 ILE 51 1HG1 ILE 51 -0.375 2.174 -0.386 432 HG21 ILE 51 1HG2 ILE 51 -0.260 3.532 -3.814 433 HG22 ILE 51 2HG2 ILE 51 0.672 2.205 -4.494 434 HG23 ILE 51 3HG2 ILE 51 1.445 3.346 -3.379 435 HD11 ILE 51 3HD1 ILE 51 1.281 3.804 0.236 436 HD12 ILE 51 1HD1 ILE 51 1.599 4.164 -1.475 437 HD13 ILE 51 2HD1 ILE 51 2.053 2.622 -0.790 438 H ASP 52 H ASP 52 -1.280 1.200 -5.325 439 HA ASP 52 HA ASP 52 -1.017 -1.676 -5.528 440 HB2 ASP 52 2HB ASP 52 -2.379 -0.246 -7.169 441 HB3 ASP 52 1HB ASP 52 -0.853 0.360 -7.768 442 HA PRO 53 HA PRO 53 3.456 -1.457 -5.412 443 HB2 PRO 53 2HB PRO 53 4.011 -3.953 -6.312 444 HB3 PRO 53 1HB PRO 53 3.426 -3.618 -4.686 445 HG2 PRO 53 2HG PRO 53 1.865 -4.516 -7.081 446 HG3 PRO 53 1HG PRO 53 1.787 -5.116 -5.417 447 HD2 PRO 53 2HD PRO 53 -0.022 -3.389 -6.369 448 HD3 PRO 53 1HD PRO 53 0.534 -3.306 -4.686 449 H LYS 54 H LYS 54 1.788 -1.096 -8.186 450 HA LYS 54 HA LYS 54 3.964 -1.627 -10.038 451 HB2 LYS 54 2HB LYS 54 2.524 -0.721 -11.773 452 HB3 LYS 54 1HB LYS 54 1.590 -1.840 -10.790 453 HG2 LYS 54 2HG LYS 54 0.621 0.097 -9.578 454 HG3 LYS 54 1HG LYS 54 1.509 1.179 -10.645 455 HD2 LYS 54 2HD LYS 54 -0.596 -0.819 -11.481 456 HD3 LYS 54 1HD LYS 54 -0.826 0.923 -11.356 457 HE2 LYS 54 2HE LYS 54 0.871 1.246 -13.122 458 HE3 LYS 54 1HE LYS 54 1.056 -0.500 -13.250 459 HZ1 LYS 54 3HZ LYS 54 -0.400 0.335 -14.959 460 HZ2 LYS 54 1HZ LYS 54 -1.416 1.039 -13.810 461 HZ3 LYS 54 2HZ LYS 54 -1.283 -0.628 -13.888 462 H LEU 55 H LEU 55 2.977 0.915 -7.992 463 HA LEU 55 HA LEU 55 4.008 3.062 -9.517 464 HB2 LEU 55 2HB LEU 55 3.628 2.884 -6.538 465 HB3 LEU 55 1HB LEU 55 4.007 4.359 -7.403 466 HG LEU 55 HG LEU 55 1.472 2.739 -7.628 467 HD11 LEU 55 1HD1 LEU 55 1.999 5.494 -6.532 468 HD12 LEU 55 2HD1 LEU 55 1.624 4.049 -5.594 469 HD13 LEU 55 3HD1 LEU 55 0.418 4.726 -6.688 470 HD21 LEU 55 3HD2 LEU 55 2.057 3.663 -9.789 471 HD22 LEU 55 1HD2 LEU 55 2.313 5.246 -9.060 472 HD23 LEU 55 2HD2 LEU 55 0.692 4.543 -9.095 473 H LYS 56 H LYS 56 5.908 3.718 -9.912 474 HA LYS 56 HA LYS 56 8.134 2.117 -9.307 475 HB2 LYS 56 2HB LYS 56 7.782 3.416 -11.425 476 HB3 LYS 56 1HB LYS 56 8.072 4.890 -10.537 477 HG2 LYS 56 2HG LYS 56 10.121 2.692 -10.821 478 HG3 LYS 56 1HG LYS 56 9.970 4.010 -11.965 479 HD2 LYS 56 2HD LYS 56 10.616 4.281 -9.015 480 HD3 LYS 56 1HD LYS 56 11.786 4.360 -10.327 481 HE2 LYS 56 2HE LYS 56 10.494 6.320 -11.229 482 HE3 LYS 56 1HE LYS 56 9.524 6.274 -9.761 483 HZ1 LYS 56 3HZ LYS 56 12.439 6.802 -9.956 484 HZ2 LYS 56 1HZ LYS 56 11.650 6.644 -8.479 485 HZ3 LYS 56 2HZ LYS 56 11.254 7.889 -9.515 486 H TRP 57 H TRP 57 6.925 5.147 -7.989 487 HA TRP 57 HA TRP 57 9.292 5.671 -6.541 488 HB2 TRP 57 2HB TRP 57 8.090 7.391 -5.290 489 HB3 TRP 57 1HB TRP 57 7.637 7.487 -6.974 490 HD1 TRP 57 HD TRP 57 5.046 7.340 -7.506 491 HE1 TRP 57 1HE TRP 57 2.932 7.132 -6.023 492 HE3 TRP 57 3HE TRP 57 7.263 6.215 -3.059 493 HZ2 TRP 57 2HZ TRP 57 2.308 6.561 -3.322 494 HZ3 TRP 57 3HZ TRP 57 5.869 5.859 -1.103 495 HH2 TRP 57 HH TRP 57 3.423 6.016 -1.239 496 H ILE 58 H ILE 58 6.544 3.690 -5.913 497 HA ILE 58 HA ILE 58 6.768 3.298 -3.133 498 HB ILE 58 HB ILE 58 5.621 1.717 -5.408 499 HG12 ILE 58 2HG1 ILE 58 4.425 3.700 -4.507 500 HG13 ILE 58 1HG1 ILE 58 3.469 2.241 -4.389 501 HG21 ILE 58 1HG2 ILE 58 5.599 0.753 -2.566 502 HG22 ILE 58 2HG2 ILE 58 6.472 0.032 -3.917 503 HG23 ILE 58 3HG2 ILE 58 4.708 0.048 -3.924 504 HD11 ILE 58 3HD1 ILE 58 5.026 3.520 -2.186 505 HD12 ILE 58 1HD1 ILE 58 4.102 2.020 -2.066 506 HD13 ILE 58 2HD1 ILE 58 3.285 3.538 -2.414 507 H GLN 59 H GLN 59 7.926 1.409 -5.848 508 HA GLN 59 HA GLN 59 9.084 -0.548 -4.186 509 HB2 GLN 59 2HB GLN 59 9.884 -1.532 -6.285 510 HB3 GLN 59 1HB GLN 59 8.164 -1.178 -6.285 511 HG2 GLN 59 2HG GLN 59 8.805 0.969 -7.511 512 HG3 GLN 59 1HG GLN 59 10.378 0.211 -7.744 513 HE21 GLN 59 1HE2 GLN 59 8.993 -2.467 -7.809 514 HE22 GLN 59 2HE2 GLN 59 8.344 -2.569 -9.378 515 H GLU 60 H GLU 60 10.227 2.257 -5.760 516 HA GLU 60 HA GLU 60 12.985 1.663 -5.376 517 HB2 GLU 60 2HB GLU 60 12.230 3.009 -7.251 518 HB3 GLU 60 1HB GLU 60 11.485 4.153 -6.162 519 HG2 GLU 60 2HG GLU 60 13.744 4.777 -5.376 520 HG3 GLU 60 1HG GLU 60 14.419 3.683 -6.589 521 H TYR 61 H TYR 61 10.557 2.836 -3.417 522 HA TYR 61 HA TYR 61 12.492 4.170 -1.686 523 HB2 TYR 61 2HB TYR 61 10.691 5.629 -2.328 524 HB3 TYR 61 1HB TYR 61 9.494 4.426 -1.885 525 HD1 TYR 61 2HD TYR 61 12.434 5.825 -0.100 526 HD2 TYR 61 1HD TYR 61 8.243 5.245 -0.170 527 HE1 TYR 61 2HE TYR 61 12.248 6.918 2.131 528 HE2 TYR 61 1HE TYR 61 8.027 6.295 2.031 529 HH TYR 61 HH TYR 61 10.457 8.118 3.397 530 H LEU 62 H LEU 62 9.577 2.211 -1.377 531 HA LEU 62 HA LEU 62 10.336 1.472 1.279 532 HB2 LEU 62 2HB LEU 62 7.983 1.380 -0.326 533 HB3 LEU 62 1HB LEU 62 8.310 -0.202 0.302 534 HG LEU 62 HG LEU 62 6.770 1.119 1.758 535 HD11 LEU 62 1HD1 LEU 62 8.030 -0.759 2.666 536 HD12 LEU 62 2HD1 LEU 62 7.868 0.523 3.860 537 HD13 LEU 62 3HD1 LEU 62 9.396 0.301 3.007 538 HD21 LEU 62 3HD2 LEU 62 9.254 2.719 2.302 539 HD22 LEU 62 1HD2 LEU 62 7.706 2.891 3.135 540 HD23 LEU 62 2HD2 LEU 62 7.846 3.274 1.413 541 H GLU 63 H GLU 63 10.983 0.229 -1.807 542 HA GLU 63 HA GLU 63 11.547 -2.351 -0.552 543 HB2 GLU 63 2HB GLU 63 10.953 -1.769 -3.439 544 HB3 GLU 63 1HB GLU 63 11.745 -3.252 -2.941 545 HG2 GLU 63 2HG GLU 63 9.048 -2.342 -1.957 546 HG3 GLU 63 1HG GLU 63 9.299 -3.474 -3.280 547 H LYS 64 H LYS 64 13.016 0.329 -2.074 548 HA LYS 64 HA LYS 64 15.417 -1.290 -2.062 549 HB2 LYS 64 2HB LYS 64 14.757 -0.390 -4.307 550 HB3 LYS 64 1HB LYS 64 14.945 1.231 -3.695 551 HG2 LYS 64 2HG LYS 64 17.228 -0.744 -3.870 552 HG3 LYS 64 1HG LYS 64 16.810 0.367 -5.165 553 HD2 LYS 64 2HD LYS 64 17.256 2.259 -3.668 554 HD3 LYS 64 1HD LYS 64 17.633 1.134 -2.366 555 HE2 LYS 64 2HE LYS 64 19.488 0.246 -3.661 556 HE3 LYS 64 1HE LYS 64 19.099 1.340 -4.992 557 HZ1 LYS 64 3HZ LYS 64 20.896 2.201 -3.661 558 HZ2 LYS 64 1HZ LYS 64 19.952 2.156 -2.265 559 HZ3 LYS 64 2HZ LYS 64 19.558 3.202 -3.525 560 H ALA 65 H ALA 65 14.018 1.674 -0.865 561 HA ALA 65 HA ALA 65 16.601 2.458 0.242 562 HB1 ALA 65 1HB ALA 65 15.097 4.223 -0.623 563 HB2 ALA 65 2HB ALA 65 15.459 4.451 1.091 564 HB3 ALA 65 3HB ALA 65 13.908 3.770 0.597 565 H LEU 66 H LEU 66 13.449 1.476 1.360 566 HA LEU 66 HA LEU 66 14.165 1.335 4.133 567 HB2 LEU 66 2HB LEU 66 11.868 0.598 2.480 568 HB3 LEU 66 1HB LEU 66 11.908 -0.135 4.023 569 HG LEU 66 HG LEU 66 10.486 1.853 4.112 570 HD11 LEU 66 1HD1 LEU 66 11.525 3.183 5.851 571 HD12 LEU 66 2HD1 LEU 66 13.094 2.474 5.484 572 HD13 LEU 66 3HD1 LEU 66 11.790 1.463 6.109 573 HD21 LEU 66 3HD2 LEU 66 11.314 4.102 3.597 574 HD22 LEU 66 1HD2 LEU 66 11.407 3.059 2.180 575 HD23 LEU 66 2HD2 LEU 66 12.862 3.418 3.100 576 H ASN 67 H ASN 67 13.787 -0.925 1.570 577 HA ASN 67 HA ASN 67 14.183 -3.082 3.476 578 HB2 ASN 67 2HB ASN 67 12.088 -2.909 2.171 579 HB3 ASN 67 1HB ASN 67 13.047 -3.027 0.753 580 HD21 ASN 67 1HD2 ASN 67 11.482 -4.589 0.517 581 HD22 ASN 67 2HD2 ASN 67 11.848 -6.262 0.872 582 H LYS 68 H LYS 68 15.266 -1.962 0.330 583 HA LYS 68 HA LYS 68 16.854 -2.570 -1.058 584 HB2 LYS 68 2HB LYS 68 19.196 -2.404 -0.150 585 HB3 LYS 68 1HB LYS 68 18.133 -1.095 0.300 586 HG2 LYS 68 2HG LYS 68 17.832 -2.145 2.521 587 HG3 LYS 68 1HG LYS 68 18.988 -3.389 2.037 588 HD2 LYS 68 2HD LYS 68 20.706 -1.687 1.736 589 HD3 LYS 68 1HD LYS 68 19.550 -0.435 2.181 590 HE2 LYS 68 2HE LYS 68 19.283 -1.474 4.386 591 HE3 LYS 68 1HE LYS 68 20.454 -2.705 3.939 592 HZ1 LYS 68 3HZ LYS 68 21.440 -0.939 5.256 593 HZ2 LYS 68 1HZ LYS 68 21.012 0.200 4.080 594 HZ3 LYS 68 2HZ LYS 68 22.141 -1.008 3.734 Start of MODEL 6 1 H1 LYS 1 1HT LYS 1 -24.479 -14.133 -9.069 2 H2 LYS 1 2HT LYS 1 -26.077 -14.220 -8.568 3 H3 LYS 1 3HT LYS 1 -24.822 -13.933 -7.452 4 HA LYS 1 HA LYS 1 -25.513 -12.127 -9.657 5 HB2 LYS 1 2HB LYS 1 -25.906 -11.766 -6.667 6 HB3 LYS 1 1HB LYS 1 -26.248 -10.564 -7.901 7 HG2 LYS 1 2HG LYS 1 -27.983 -12.027 -8.820 8 HG3 LYS 1 1HG LYS 1 -27.670 -13.192 -7.529 9 HD2 LYS 1 2HD LYS 1 -28.237 -11.431 -5.879 10 HD3 LYS 1 1HD LYS 1 -28.626 -10.348 -7.215 11 HE2 LYS 1 2HE LYS 1 -29.979 -12.969 -6.587 12 HE3 LYS 1 1HE LYS 1 -30.637 -11.363 -6.294 13 HZ1 LYS 1 2HZ LYS 1 -31.536 -12.336 -8.302 14 HZ2 LYS 1 3HZ LYS 1 -30.015 -12.515 -8.972 15 HZ3 LYS 1 1HZ LYS 1 -30.631 -10.971 -8.697 16 HA PRO 2 HA PRO 2 -21.329 -10.690 -9.089 17 HB2 PRO 2 2HB PRO 2 -22.382 -7.956 -9.500 18 HB3 PRO 2 1HB PRO 2 -21.155 -8.823 -10.428 19 HG2 PRO 2 2HG PRO 2 -23.589 -8.406 -11.430 20 HG3 PRO 2 1HG PRO 2 -22.733 -9.934 -11.716 21 HD2 PRO 2 2HD PRO 2 -24.945 -9.327 -9.797 22 HD3 PRO 2 1HD PRO 2 -24.688 -10.757 -10.823 23 H VAL 3 H VAL 3 -20.865 -10.904 -6.984 24 HA VAL 3 HA VAL 3 -20.641 -8.620 -5.440 25 HB VAL 3 HB VAL 3 -23.017 -8.880 -4.921 26 HG11 VAL 3 1HG1 VAL 3 -22.382 -11.647 -3.928 27 HG12 VAL 3 2HG1 VAL 3 -23.341 -11.236 -5.349 28 HG13 VAL 3 3HG1 VAL 3 -23.928 -10.817 -3.737 29 HG21 VAL 3 3HG2 VAL 3 -21.296 -9.679 -2.578 30 HG22 VAL 3 1HG2 VAL 3 -22.923 -9.005 -2.464 31 HG23 VAL 3 2HG2 VAL 3 -21.611 -8.036 -3.138 32 H SER 4 H SER 4 -18.649 -8.979 -4.931 33 HA SER 4 HA SER 4 -18.019 -11.528 -3.694 34 HB2 SER 4 2HB SER 4 -15.673 -11.166 -4.514 35 HB3 SER 4 1HB SER 4 -16.856 -11.368 -5.807 36 HG SER 4 HG SER 4 -15.785 -8.940 -4.830 37 H LEU 5 H LEU 5 -18.321 -10.978 -1.617 38 HA LEU 5 HA LEU 5 -17.000 -8.582 -0.608 39 HB2 LEU 5 2HB LEU 5 -18.056 -9.001 1.568 40 HB3 LEU 5 1HB LEU 5 -19.260 -8.922 0.298 41 HG LEU 5 HG LEU 5 -18.242 -11.491 1.519 42 HD11 LEU 5 1HD1 LEU 5 -19.278 -10.105 3.243 43 HD12 LEU 5 2HD1 LEU 5 -20.315 -11.474 2.848 44 HD13 LEU 5 3HD1 LEU 5 -20.696 -9.871 2.220 45 HD21 LEU 5 3HD2 LEU 5 -20.713 -10.858 -0.109 46 HD22 LEU 5 1HD2 LEU 5 -20.361 -12.400 0.648 47 HD23 LEU 5 2HD2 LEU 5 -19.333 -11.815 -0.651 48 H SER 6 H SER 6 -16.640 -11.950 -0.750 49 HA SER 6 HA SER 6 -14.744 -12.137 1.364 50 HB2 SER 6 2HB SER 6 -16.150 -14.055 0.739 51 HB3 SER 6 1HB SER 6 -15.437 -14.058 -0.870 52 HG SER 6 HG SER 6 -14.429 -14.893 1.563 53 H TYR 7 H TYR 7 -12.641 -11.752 1.211 54 HA TYR 7 HA TYR 7 -11.418 -11.608 -1.445 55 HB2 TYR 7 2HB TYR 7 -9.941 -9.807 -0.563 56 HB3 TYR 7 1HB TYR 7 -11.628 -9.327 -0.651 57 HD1 TYR 7 2HD TYR 7 -8.905 -10.322 1.659 58 HD2 TYR 7 1HD TYR 7 -12.788 -8.630 1.305 59 HE1 TYR 7 2HE TYR 7 -8.783 -9.571 3.987 60 HE2 TYR 7 1HE TYR 7 -12.672 -7.880 3.634 61 HH TYR 7 HH TYR 7 -11.531 -8.373 5.628 62 H ARG 8 H ARG 8 -9.137 -12.063 -1.458 63 HA ARG 8 HA ARG 8 -8.617 -13.990 0.658 64 HB2 ARG 8 2HB ARG 8 -7.434 -15.418 -0.959 65 HB3 ARG 8 1HB ARG 8 -9.100 -15.144 -1.406 66 HG2 ARG 8 2HG ARG 8 -8.040 -14.948 -3.448 67 HG3 ARG 8 1HG ARG 8 -8.091 -13.269 -2.910 68 HD2 ARG 8 2HD ARG 8 -5.914 -13.763 -3.808 69 HD3 ARG 8 1HD ARG 8 -5.793 -13.498 -2.068 70 HE ARG 8 HE ARG 8 -6.133 -16.250 -2.585 71 HH11 ARG 8 1HH1 ARG 8 -3.663 -13.731 -2.865 72 HH12 ARG 8 2HH1 ARG 8 -2.368 -14.855 -2.820 73 HH21 ARG 8 1HH2 ARG 8 -4.302 -17.744 -2.483 74 HH22 ARG 8 2HH2 ARG 8 -2.725 -17.113 -2.571 75 H CYS 9 H CYS 9 -7.609 -11.161 -0.475 76 HA CYS 9 HA CYS 9 -5.006 -11.416 0.884 77 HB2 CYS 9 2HB CYS 9 -5.573 -9.905 -1.684 78 HB3 CYS 9 1HB CYS 9 -4.121 -9.679 -0.721 79 HA PRO 10 HA PRO 10 -6.142 -8.336 3.782 80 HB2 PRO 10 2HB PRO 10 -3.676 -6.920 2.867 81 HB3 PRO 10 1HB PRO 10 -4.223 -7.294 4.498 82 HG2 PRO 10 2HG PRO 10 -2.305 -8.739 3.301 83 HG3 PRO 10 1HG PRO 10 -3.465 -9.453 4.430 84 HD2 PRO 10 2HD PRO 10 -3.256 -9.766 1.507 85 HD3 PRO 10 1HD PRO 10 -4.030 -10.813 2.712 86 H CYS 11 H CYS 11 -4.677 -6.922 0.872 87 HA CYS 11 HA CYS 11 -6.716 -4.856 0.936 88 HB2 CYS 11 2HB CYS 11 -4.070 -4.981 -0.508 89 HB3 CYS 11 1HB CYS 11 -5.235 -3.675 -0.682 90 H ARG 12 H ARG 12 -8.404 -5.410 -0.190 91 HA ARG 12 HA ARG 12 -8.121 -7.095 -2.522 92 HB2 ARG 12 2HB ARG 12 -10.613 -6.984 -2.619 93 HB3 ARG 12 1HB ARG 12 -9.990 -7.620 -1.100 94 HG2 ARG 12 2HG ARG 12 -10.398 -5.444 -0.056 95 HG3 ARG 12 1HG ARG 12 -11.053 -4.842 -1.582 96 HD2 ARG 12 2HD ARG 12 -12.794 -6.547 -1.486 97 HD3 ARG 12 1HD ARG 12 -12.120 -7.156 0.022 98 HE ARG 12 HE ARG 12 -12.754 -4.378 0.148 99 HH11 ARG 12 1HH1 ARG 12 -14.175 -7.617 0.462 100 HH12 ARG 12 2HH1 ARG 12 -15.454 -7.112 1.459 101 HH21 ARG 12 1HH2 ARG 12 -14.559 -3.692 1.512 102 HH22 ARG 12 2HH2 ARG 12 -15.667 -4.841 2.078 103 H PHE 13 H PHE 13 -8.469 -3.817 -1.691 104 HA PHE 13 HA PHE 13 -8.539 -3.137 -4.541 105 HB2 PHE 13 2HB PHE 13 -9.673 -1.484 -2.284 106 HB3 PHE 13 1HB PHE 13 -9.601 -0.995 -3.965 107 HD1 PHE 13 2HD PHE 13 -10.821 -2.550 -5.657 108 HD2 PHE 13 1HD PHE 13 -11.591 -2.493 -1.479 109 HE1 PHE 13 2HE PHE 13 -13.040 -3.538 -6.051 110 HE2 PHE 13 1HE PHE 13 -13.806 -3.483 -1.868 111 HZ PHE 13 HZ PHE 13 -14.530 -4.005 -4.163 112 H PHE 14 H PHE 14 -7.040 -1.829 -5.235 113 HA PHE 14 HA PHE 14 -5.090 -0.728 -3.355 114 HB2 PHE 14 2HB PHE 14 -4.703 -1.832 -6.132 115 HB3 PHE 14 1HB PHE 14 -3.481 -0.946 -5.228 116 HD1 PHE 14 2HD PHE 14 -2.725 -1.852 -3.074 117 HD2 PHE 14 1HD PHE 14 -4.994 -4.140 -5.825 118 HE1 PHE 14 2HE PHE 14 -1.928 -3.843 -2.015 119 HE2 PHE 14 1HE PHE 14 -4.215 -6.208 -4.762 120 HZ PHE 14 HZ PHE 14 -2.664 -6.089 -2.838 121 H GLU 15 H GLU 15 -4.294 1.347 -3.874 122 HA GLU 15 HA GLU 15 -5.727 2.750 -5.995 123 HB2 GLU 15 2HB GLU 15 -6.221 3.487 -3.684 124 HB3 GLU 15 1HB GLU 15 -4.548 3.876 -3.434 125 HG2 GLU 15 2HG GLU 15 -4.648 5.532 -5.228 126 HG3 GLU 15 1HG GLU 15 -6.340 5.129 -5.504 127 H SER 16 H SER 16 -4.506 3.656 -7.579 128 HA SER 16 HA SER 16 -1.599 3.455 -7.332 129 HB2 SER 16 2HB SER 16 -3.340 3.799 -9.795 130 HB3 SER 16 1HB SER 16 -1.594 3.549 -9.773 131 HG SER 16 HG SER 16 -1.831 1.555 -9.198 132 H HIS 17 H HIS 17 -3.984 5.651 -6.906 133 HA HIS 17 HA HIS 17 -2.679 7.908 -8.219 134 HB2 HIS 17 2HB HIS 17 -5.270 7.792 -6.662 135 HB3 HIS 17 1HB HIS 17 -4.640 9.237 -7.441 136 HD1 HIS 17 1HD HIS 17 -7.391 7.794 -8.126 137 HD2 HIS 17 2HD HIS 17 -3.860 7.460 -10.276 138 HE1 HIS 17 1HE HIS 17 -8.078 7.180 -10.457 139 HE2 HIS 17 2HE HIS 17 -5.925 6.762 -11.660 140 H VAL 18 H VAL 18 -1.980 6.366 -5.562 141 HA VAL 18 HA VAL 18 -1.926 8.320 -3.551 142 HB VAL 18 HB VAL 18 -0.215 5.851 -3.916 143 HG11 VAL 18 1HG1 VAL 18 0.710 7.400 -2.293 144 HG12 VAL 18 2HG1 VAL 18 0.082 5.949 -1.507 145 HG13 VAL 18 3HG1 VAL 18 -0.836 7.452 -1.447 146 HG21 VAL 18 3HG2 VAL 18 -2.819 6.216 -2.446 147 HG22 VAL 18 1HG2 VAL 18 -1.836 4.749 -2.441 148 HG23 VAL 18 2HG2 VAL 18 -2.583 5.308 -3.936 149 H ALA 19 H ALA 19 -0.560 9.968 -3.281 150 HA ALA 19 HA ALA 19 1.864 10.161 -4.925 151 HB1 ALA 19 1HB ALA 19 0.288 12.038 -5.136 152 HB2 ALA 19 2HB ALA 19 1.794 12.543 -4.347 153 HB3 ALA 19 3HB ALA 19 0.354 12.257 -3.380 154 H ARG 20 H ARG 20 3.796 10.050 -3.932 155 HA ARG 20 HA ARG 20 3.984 9.076 -1.328 156 HB2 ARG 20 2HB ARG 20 5.670 8.560 -2.969 157 HB3 ARG 20 1HB ARG 20 6.138 10.242 -3.071 158 HG2 ARG 20 2HG ARG 20 7.032 10.167 -0.799 159 HG3 ARG 20 1HG ARG 20 6.447 8.516 -0.628 160 HD2 ARG 20 2HD ARG 20 8.867 8.650 -1.132 161 HD3 ARG 20 1HD ARG 20 7.947 7.742 -2.319 162 HE ARG 20 HE ARG 20 7.996 10.192 -3.403 163 HH11 ARG 20 1HH1 ARG 20 10.576 8.198 -2.083 164 HH12 ARG 20 2HH1 ARG 20 11.767 8.730 -3.178 165 HH21 ARG 20 1HH2 ARG 20 9.597 10.960 -4.889 166 HH22 ARG 20 2HH2 ARG 20 11.189 10.358 -4.803 167 H ALA 21 H ALA 21 4.205 12.379 -2.462 168 HA ALA 21 HA ALA 21 5.302 13.397 -0.033 169 HB1 ALA 21 1HB ALA 21 4.828 15.606 -0.918 170 HB2 ALA 21 2HB ALA 21 3.790 14.905 -2.156 171 HB3 ALA 21 3HB ALA 21 5.530 14.591 -2.181 172 H ASN 22 H ASN 22 2.192 12.345 -0.888 173 HA ASN 22 HA ASN 22 1.006 13.866 1.322 174 HB2 ASN 22 2HB ASN 22 -0.156 14.054 -0.878 175 HB3 ASN 22 1HB ASN 22 -0.372 12.313 -0.898 176 HD21 ASN 22 1HD2 ASN 22 -2.588 12.552 -1.052 177 HD22 ASN 22 2HD2 ASN 22 -3.589 13.058 0.255 178 H VAL 23 H VAL 23 2.494 11.067 0.745 179 HA VAL 23 HA VAL 23 0.840 9.381 2.452 180 HB VAL 23 HB VAL 23 3.619 8.858 1.327 181 HG11 VAL 23 1HG1 VAL 23 3.208 6.539 1.886 182 HG12 VAL 23 2HG1 VAL 23 1.656 6.966 2.612 183 HG13 VAL 23 3HG1 VAL 23 3.163 7.545 3.335 184 HG21 VAL 23 3HG2 VAL 23 1.936 9.064 -0.418 185 HG22 VAL 23 1HG2 VAL 23 0.933 7.876 0.399 186 HG23 VAL 23 2HG2 VAL 23 2.488 7.401 -0.284 187 H LYS 24 H LYS 24 0.917 9.641 4.645 188 HA LYS 24 HA LYS 24 2.980 11.121 5.913 189 HB2 LYS 24 2HB LYS 24 0.558 10.968 6.652 190 HB3 LYS 24 1HB LYS 24 0.866 9.333 7.091 191 HG2 LYS 24 2HG LYS 24 2.434 9.877 8.673 192 HG3 LYS 24 1HG LYS 24 2.366 11.585 8.214 193 HD2 LYS 24 2HD LYS 24 -0.038 10.074 8.906 194 HD3 LYS 24 1HD LYS 24 1.040 10.736 10.156 195 HE2 LYS 24 2HE LYS 24 0.688 12.999 9.041 196 HE3 LYS 24 1HE LYS 24 -0.457 12.211 7.962 197 HZ1 LYS 24 3HZ LYS 24 -1.501 13.419 9.819 198 HZ2 LYS 24 1HZ LYS 24 -0.754 12.395 10.896 199 HZ3 LYS 24 2HZ LYS 24 -1.934 11.810 9.833 200 H ARG 25 H ARG 25 1.965 7.798 5.881 201 HA ARG 25 HA ARG 25 4.692 6.873 6.128 202 HB2 ARG 25 2HB ARG 25 3.978 7.137 8.479 203 HB3 ARG 25 1HB ARG 25 2.562 6.147 8.163 204 HG2 ARG 25 2HG ARG 25 4.031 4.239 7.668 205 HG3 ARG 25 1HG ARG 25 5.433 5.239 8.044 206 HD2 ARG 25 2HD ARG 25 3.192 4.566 9.956 207 HD3 ARG 25 1HD ARG 25 4.766 3.782 9.919 208 HE ARG 25 HE ARG 25 5.330 6.413 10.217 209 HH11 ARG 25 1HH1 ARG 25 3.214 4.197 11.984 210 HH12 ARG 25 2HH1 ARG 25 3.508 4.880 13.505 211 HH21 ARG 25 1HH2 ARG 25 5.745 7.373 12.341 212 HH22 ARG 25 2HH2 ARG 25 4.987 6.708 13.714 213 H LEU 26 H LEU 26 4.892 4.811 5.170 214 HA LEU 26 HA LEU 26 2.402 3.481 4.489 215 HB2 LEU 26 2HB LEU 26 3.113 2.914 2.306 216 HB3 LEU 26 1HB LEU 26 3.192 4.648 2.456 217 HG LEU 26 HG LEU 26 5.644 2.897 2.705 218 HD11 LEU 26 1HD1 LEU 26 6.032 3.330 0.355 219 HD12 LEU 26 2HD1 LEU 26 4.479 4.176 0.251 220 HD13 LEU 26 3HD1 LEU 26 4.506 2.454 0.628 221 HD21 LEU 26 3HD2 LEU 26 5.296 5.777 1.877 222 HD22 LEU 26 1HD2 LEU 26 6.812 4.897 2.022 223 HD23 LEU 26 2HD2 LEU 26 5.860 5.248 3.474 224 H LYS 27 H LYS 27 2.724 1.255 3.978 225 HA LYS 27 HA LYS 27 5.221 0.071 4.877 226 HB2 LYS 27 2HB LYS 27 2.509 -0.611 5.997 227 HB3 LYS 27 1HB LYS 27 3.946 -1.597 6.222 228 HG2 LYS 27 2HG LYS 27 5.012 0.138 7.432 229 HG3 LYS 27 1HG LYS 27 3.690 1.237 7.028 230 HD2 LYS 27 2HD LYS 27 2.152 -0.280 8.300 231 HD3 LYS 27 1HD LYS 27 3.553 -1.246 8.744 232 HE2 LYS 27 2HE LYS 27 4.525 0.635 9.927 233 HE3 LYS 27 1HE LYS 27 3.185 1.665 9.433 234 HZ1 LYS 27 3HZ LYS 27 1.684 0.261 10.681 235 HZ2 LYS 27 1HZ LYS 27 2.879 0.856 11.694 236 HZ3 LYS 27 2HZ LYS 27 2.942 -0.740 11.175 237 H ILE 28 H ILE 28 5.591 -1.772 3.993 238 HA ILE 28 HA ILE 28 3.674 -2.792 1.990 239 HB ILE 28 HB ILE 28 6.709 -2.977 1.906 240 HG12 ILE 28 2HG1 ILE 28 4.721 -1.566 0.120 241 HG13 ILE 28 1HG1 ILE 28 5.946 -0.838 1.138 242 HG21 ILE 28 1HG2 ILE 28 4.729 -4.228 0.009 243 HG22 ILE 28 2HG2 ILE 28 5.803 -5.082 1.129 244 HG23 ILE 28 3HG2 ILE 28 6.480 -4.155 -0.212 245 HD11 ILE 28 3HD1 ILE 28 6.628 -0.763 -1.182 246 HD12 ILE 28 1HD1 ILE 28 6.429 -2.510 -1.316 247 HD13 ILE 28 2HD1 ILE 28 7.688 -1.849 -0.278 248 H LEU 29 H LEU 29 2.700 -4.512 2.715 249 HA LEU 29 HA LEU 29 4.121 -6.153 4.665 250 HB2 LEU 29 2HB LEU 29 1.753 -5.105 5.016 251 HB3 LEU 29 1HB LEU 29 1.205 -6.364 3.940 252 HG LEU 29 HG LEU 29 2.514 -6.793 6.635 253 HD11 LEU 29 1HD1 LEU 29 -0.344 -7.103 5.772 254 HD12 LEU 29 2HD1 LEU 29 0.311 -5.859 6.836 255 HD13 LEU 29 3HD1 LEU 29 0.310 -7.547 7.349 256 HD21 LEU 29 3HD2 LEU 29 1.877 -9.135 6.389 257 HD22 LEU 29 1HD2 LEU 29 2.971 -8.653 5.088 258 HD23 LEU 29 2HD2 LEU 29 1.242 -8.799 4.779 259 H ASN 30 H ASN 30 5.181 -7.746 3.789 260 HA ASN 30 HA ASN 30 4.431 -8.958 1.241 261 HB2 ASN 30 2HB ASN 30 6.740 -9.572 3.133 262 HB3 ASN 30 1HB ASN 30 6.523 -10.254 1.536 263 HD21 ASN 30 1HD2 ASN 30 7.113 -9.049 -0.242 264 HD22 ASN 30 2HD2 ASN 30 7.963 -7.555 -0.128 265 H THR 31 H THR 31 2.806 -10.301 1.413 266 HA THR 31 HA THR 31 2.487 -11.982 3.755 267 HB THR 31 HB THR 31 0.410 -12.660 2.426 268 HG1 THR 31 1HG THR 31 1.637 -11.538 0.567 269 HG21 THR 31 3HG2 THR 31 0.733 -9.749 3.164 270 HG22 THR 31 1HG2 THR 31 0.375 -11.039 4.322 271 HG23 THR 31 2HG2 THR 31 -0.786 -10.636 3.058 272 HA PRO 32 HA PRO 32 4.066 -15.626 1.617 273 HB2 PRO 32 2HB PRO 32 2.119 -17.255 3.097 274 HB3 PRO 32 1HB PRO 32 3.880 -17.272 3.184 275 HG2 PRO 32 2HG PRO 32 2.372 -16.299 5.193 276 HG3 PRO 32 1HG PRO 32 3.959 -15.622 4.793 277 HD2 PRO 32 2HD PRO 32 1.233 -14.570 4.124 278 HD3 PRO 32 1HD PRO 32 2.697 -13.710 4.648 279 H ASN 33 H ASN 33 0.582 -15.898 2.141 280 HA ASN 33 HA ASN 33 0.244 -17.400 -0.303 281 HB2 ASN 33 2HB ASN 33 -2.123 -17.542 0.075 282 HB3 ASN 33 1HB ASN 33 -1.331 -17.741 1.620 283 HD21 ASN 33 1HD2 ASN 33 -0.905 -14.851 2.070 284 HD22 ASN 33 2HD2 ASN 33 -2.477 -14.198 2.351 285 H CYS 34 H CYS 34 0.129 -14.045 0.339 286 HA CYS 34 HA CYS 34 -0.801 -13.554 -2.380 287 HB2 CYS 34 2HB CYS 34 -0.803 -11.843 0.106 288 HB3 CYS 34 1HB CYS 34 -1.286 -11.230 -1.456 289 H ALA 35 H ALA 35 0.394 -10.804 -2.110 290 HA ALA 35 HA ALA 35 3.186 -11.553 -1.932 291 HB1 ALA 35 1HB ALA 35 2.067 -10.114 -4.338 292 HB2 ALA 35 2HB ALA 35 2.610 -11.790 -4.305 293 HB3 ALA 35 3HB ALA 35 3.763 -10.483 -4.039 294 H LEU 36 H LEU 36 1.706 -8.567 -3.177 295 HA LEU 36 HA LEU 36 3.002 -7.213 -0.922 296 HB2 LEU 36 2HB LEU 36 2.775 -6.271 -3.757 297 HB3 LEU 36 1HB LEU 36 3.364 -5.309 -2.426 298 HG LEU 36 HG LEU 36 4.654 -7.794 -3.523 299 HD11 LEU 36 1HD1 LEU 36 5.451 -4.887 -3.620 300 HD12 LEU 36 2HD1 LEU 36 4.860 -5.841 -4.977 301 HD13 LEU 36 3HD1 LEU 36 6.412 -6.235 -4.230 302 HD21 LEU 36 3HD2 LEU 36 4.988 -7.602 -1.127 303 HD22 LEU 36 1HD2 LEU 36 5.499 -5.932 -1.325 304 HD23 LEU 36 2HD2 LEU 36 6.479 -7.240 -1.993 305 H GLN 37 H GLN 37 1.562 -6.442 0.361 306 HA GLN 37 HA GLN 37 -0.592 -4.895 -0.856 307 HB2 GLN 37 2HB GLN 37 -0.555 -6.240 1.871 308 HB3 GLN 37 1HB GLN 37 -1.791 -5.115 1.349 309 HG2 GLN 37 2HG GLN 37 -2.684 -7.313 1.127 310 HG3 GLN 37 1HG GLN 37 -2.367 -6.709 -0.487 311 HE21 GLN 37 1HE2 GLN 37 0.151 -7.948 1.646 312 HE22 GLN 37 2HE2 GLN 37 0.428 -9.381 0.737 313 H ILE 38 H ILE 38 -0.457 -2.798 -0.477 314 HA ILE 38 HA ILE 38 1.592 -1.905 1.440 315 HB ILE 38 HB ILE 38 0.827 -0.577 -1.159 316 HG12 ILE 38 2HG1 ILE 38 3.159 -2.440 -0.625 317 HG13 ILE 38 1HG1 ILE 38 1.759 -2.787 -1.615 318 HG21 ILE 38 1HG2 ILE 38 3.210 -0.246 0.695 319 HG22 ILE 38 2HG2 ILE 38 1.873 0.887 0.513 320 HG23 ILE 38 3HG2 ILE 38 2.988 0.613 -0.829 321 HD11 ILE 38 3HD1 ILE 38 3.750 -0.629 -2.139 322 HD12 ILE 38 1HD1 ILE 38 2.375 -1.042 -3.162 323 HD13 ILE 38 2HD1 ILE 38 3.702 -2.193 -2.946 324 H VAL 39 H VAL 39 1.096 0.134 2.447 325 HA VAL 39 HA VAL 39 -1.688 1.000 2.125 326 HB VAL 39 HB VAL 39 -1.894 1.356 4.579 327 HG11 VAL 39 1HG1 VAL 39 -2.859 -0.640 3.565 328 HG12 VAL 39 2HG1 VAL 39 -2.254 -1.005 5.183 329 HG13 VAL 39 3HG1 VAL 39 -1.329 -1.496 3.761 330 HG21 VAL 39 3HG2 VAL 39 -0.332 0.210 6.095 331 HG22 VAL 39 1HG2 VAL 39 0.471 1.470 5.154 332 HG23 VAL 39 2HG2 VAL 39 0.675 -0.225 4.714 333 H ALA 40 H ALA 40 -2.059 3.146 2.185 334 HA ALA 40 HA ALA 40 0.217 4.921 2.814 335 HB1 ALA 40 1HB ALA 40 -1.881 5.298 0.677 336 HB2 ALA 40 2HB ALA 40 -0.227 4.850 0.367 337 HB3 ALA 40 3HB ALA 40 -0.594 6.423 1.060 338 H ARG 41 H ARG 41 -0.343 5.998 4.624 339 HA ARG 41 HA ARG 41 -3.121 6.846 4.787 340 HB2 ARG 41 2HB ARG 41 -2.306 5.871 6.866 341 HB3 ARG 41 1HB ARG 41 -0.958 7.006 6.870 342 HG2 ARG 41 2HG ARG 41 -2.322 8.798 7.362 343 HG3 ARG 41 1HG ARG 41 -3.798 7.929 6.928 344 HD2 ARG 41 2HD ARG 41 -3.511 6.435 8.739 345 HD3 ARG 41 1HD ARG 41 -1.985 7.193 9.212 346 HE ARG 41 HE ARG 41 -3.410 9.244 9.615 347 HH11 ARG 41 1HH1 ARG 41 -4.790 5.985 9.954 348 HH12 ARG 41 2HH1 ARG 41 -5.897 6.441 11.152 349 HH21 ARG 41 1HH2 ARG 41 -4.941 9.844 11.290 350 HH22 ARG 41 2HH2 ARG 41 -5.977 8.658 11.935 351 H LEU 42 H LEU 42 -3.706 8.697 4.358 352 HA LEU 42 HA LEU 42 -1.802 10.418 3.033 353 HB2 LEU 42 2HB LEU 42 -4.685 11.040 3.603 354 HB3 LEU 42 1HB LEU 42 -3.695 11.949 2.507 355 HG LEU 42 HG LEU 42 -5.046 9.363 2.215 356 HD11 LEU 42 1HD1 LEU 42 -5.513 10.156 -0.049 357 HD12 LEU 42 2HD1 LEU 42 -4.637 11.628 0.316 358 HD13 LEU 42 3HD1 LEU 42 -6.108 11.229 1.200 359 HD21 LEU 42 3HD2 LEU 42 -2.538 9.984 0.634 360 HD22 LEU 42 1HD2 LEU 42 -3.652 8.662 0.286 361 HD23 LEU 42 2HD2 LEU 42 -2.734 8.671 1.790 362 H LYS 43 H LYS 43 -0.952 12.293 3.584 363 HA LYS 43 HA LYS 43 -0.886 13.037 6.298 364 HB2 LYS 43 2HB LYS 43 0.027 14.617 3.857 365 HB3 LYS 43 1HB LYS 43 0.400 15.029 5.519 366 HG2 LYS 43 2HG LYS 43 1.619 13.043 5.811 367 HG3 LYS 43 1HG LYS 43 1.249 12.548 4.158 368 HD2 LYS 43 2HD LYS 43 2.431 14.378 3.244 369 HD3 LYS 43 1HD LYS 43 2.582 15.158 4.820 370 HE2 LYS 43 2HE LYS 43 3.810 13.408 5.614 371 HE3 LYS 43 1HE LYS 43 3.766 12.500 4.095 372 HZ1 LYS 43 3HZ LYS 43 5.117 15.138 4.568 373 HZ2 LYS 43 1HZ LYS 43 5.009 14.405 3.049 374 HZ3 LYS 43 2HZ LYS 43 5.870 13.675 4.297 375 H ASN 44 H ASN 44 -2.497 14.241 3.445 376 HA ASN 44 HA ASN 44 -3.789 16.401 4.824 377 HB2 ASN 44 2HB ASN 44 -3.204 16.766 2.523 378 HB3 ASN 44 1HB ASN 44 -4.092 15.332 2.023 379 HD21 ASN 44 1HD2 ASN 44 -4.377 18.628 3.131 380 HD22 ASN 44 2HD2 ASN 44 -6.027 18.826 2.672 381 H ASN 45 H ASN 45 -5.024 13.497 3.179 382 HA ASN 45 HA ASN 45 -7.636 13.991 4.246 383 HB2 ASN 45 2HB ASN 45 -7.243 12.916 1.989 384 HB3 ASN 45 1HB ASN 45 -6.722 11.495 2.910 385 HD21 ASN 45 1HD2 ASN 45 -8.416 10.285 1.846 386 HD22 ASN 45 2HD2 ASN 45 -10.035 10.450 2.406 387 H ASN 46 H ASN 46 -4.901 12.255 5.327 388 HA ASN 46 HA ASN 46 -4.434 10.914 6.989 389 HB2 ASN 46 2HB ASN 46 -6.844 12.237 8.233 390 HB3 ASN 46 1HB ASN 46 -5.789 11.116 9.088 391 HD21 ASN 46 1HD2 ASN 46 -6.044 14.310 7.690 392 HD22 ASN 46 2HD2 ASN 46 -4.604 14.913 8.394 393 H ARG 47 H ARG 47 -6.368 9.949 4.880 394 HA ARG 47 HA ARG 47 -7.532 7.795 6.358 395 HB2 ARG 47 2HB ARG 47 -9.031 8.937 4.898 396 HB3 ARG 47 1HB ARG 47 -7.867 8.825 3.562 397 HG2 ARG 47 2HG ARG 47 -8.053 6.504 3.618 398 HG3 ARG 47 1HG ARG 47 -9.260 6.569 4.915 399 HD2 ARG 47 2HD ARG 47 -10.778 7.814 3.417 400 HD3 ARG 47 1HD ARG 47 -9.570 7.757 2.131 401 HE ARG 47 HE ARG 47 -10.476 5.234 3.229 402 HH11 ARG 47 1HH1 ARG 47 -10.731 7.585 0.570 403 HH12 ARG 47 2HH1 ARG 47 -11.393 6.485 -0.533 404 HH21 ARG 47 1HH2 ARG 47 -11.395 3.694 1.680 405 HH22 ARG 47 2HH2 ARG 47 -11.793 4.221 0.119 406 H GLN 48 H GLN 48 -7.066 5.762 5.696 407 HA GLN 48 HA GLN 48 -4.480 5.412 4.451 408 HB2 GLN 48 2HB GLN 48 -4.335 4.621 6.568 409 HB3 GLN 48 1HB GLN 48 -6.005 4.097 6.602 410 HG2 GLN 48 2HG GLN 48 -5.507 2.258 5.250 411 HG3 GLN 48 1HG GLN 48 -3.851 2.778 4.978 412 HE21 GLN 48 1HE2 GLN 48 -2.989 0.853 5.904 413 HE22 GLN 48 2HE2 GLN 48 -3.114 0.474 7.577 414 H VAL 49 H VAL 49 -4.439 4.626 2.518 415 HA VAL 49 HA VAL 49 -6.525 2.749 1.633 416 HB VAL 49 HB VAL 49 -6.281 3.648 -0.675 417 HG11 VAL 49 1HG1 VAL 49 -7.547 5.721 -0.359 418 HG12 VAL 49 2HG1 VAL 49 -7.116 5.718 1.350 419 HG13 VAL 49 3HG1 VAL 49 -8.128 4.432 0.693 420 HG21 VAL 49 3HG2 VAL 49 -4.657 5.842 0.634 421 HG22 VAL 49 1HG2 VAL 49 -5.197 5.828 -1.045 422 HG23 VAL 49 2HG2 VAL 49 -4.044 4.624 -0.484 423 H CYS 50 H CYS 50 -5.827 1.045 0.474 424 HA CYS 50 HA CYS 50 -3.105 0.279 0.764 425 HB2 CYS 50 2HB CYS 50 -5.348 -0.916 -0.826 426 HB3 CYS 50 1HB CYS 50 -3.813 -1.708 -0.670 427 H ILE 51 H ILE 51 -1.456 0.345 -0.648 428 HA ILE 51 HA ILE 51 -1.922 1.987 -3.040 429 HB ILE 51 HB ILE 51 0.816 1.136 -2.089 430 HG12 ILE 51 2HG1 ILE 51 -0.696 3.598 -1.196 431 HG13 ILE 51 1HG1 ILE 51 -0.313 2.224 -0.167 432 HG21 ILE 51 1HG2 ILE 51 -0.245 3.471 -3.648 433 HG22 ILE 51 2HG2 ILE 51 0.609 2.077 -4.298 434 HG23 ILE 51 3HG2 ILE 51 1.461 3.214 -3.245 435 HD11 ILE 51 3HD1 ILE 51 1.361 3.900 0.309 436 HD12 ILE 51 1HD1 ILE 51 1.631 4.145 -1.428 437 HD13 ILE 51 2HD1 ILE 51 2.096 2.647 -0.660 438 H ASP 52 H ASP 52 -1.492 1.256 -5.029 439 HA ASP 52 HA ASP 52 -1.357 -1.579 -5.455 440 HB2 ASP 52 2HB ASP 52 -2.651 0.001 -6.910 441 HB3 ASP 52 1HB ASP 52 -1.140 0.734 -7.397 442 HA PRO 53 HA PRO 53 3.102 -1.520 -5.169 443 HB2 PRO 53 2HB PRO 53 3.660 -4.027 -5.868 444 HB3 PRO 53 1HB PRO 53 2.865 -3.638 -4.349 445 HG2 PRO 53 2HG PRO 53 1.583 -4.548 -6.910 446 HG3 PRO 53 1HG PRO 53 1.304 -5.147 -5.263 447 HD2 PRO 53 2HD PRO 53 -0.352 -3.357 -6.425 448 HD3 PRO 53 1HD PRO 53 -0.002 -3.314 -4.684 449 H LYS 54 H LYS 54 1.503 -1.452 -8.079 450 HA LYS 54 HA LYS 54 3.859 -2.014 -9.643 451 HB2 LYS 54 2HB LYS 54 1.127 -1.083 -10.529 452 HB3 LYS 54 1HB LYS 54 2.480 -1.460 -11.602 453 HG2 LYS 54 2HG LYS 54 1.170 -3.389 -9.724 454 HG3 LYS 54 1HG LYS 54 0.832 -3.249 -11.446 455 HD2 LYS 54 2HD LYS 54 3.205 -3.743 -11.917 456 HD3 LYS 54 1HD LYS 54 3.467 -3.956 -10.185 457 HE2 LYS 54 2HE LYS 54 3.161 -6.081 -11.292 458 HE3 LYS 54 1HE LYS 54 1.862 -5.722 -10.132 459 HZ1 LYS 54 3HZ LYS 54 1.647 -5.342 -13.076 460 HZ2 LYS 54 1HZ LYS 54 0.413 -5.130 -11.936 461 HZ3 LYS 54 2HZ LYS 54 1.016 -6.658 -12.234 462 H LEU 55 H LEU 55 2.735 0.604 -7.934 463 HA LEU 55 HA LEU 55 3.764 2.672 -9.601 464 HB2 LEU 55 2HB LEU 55 3.472 2.580 -6.598 465 HB3 LEU 55 1HB LEU 55 3.840 4.017 -7.520 466 HG LEU 55 HG LEU 55 1.254 2.459 -7.654 467 HD11 LEU 55 1HD1 LEU 55 1.893 5.163 -6.489 468 HD12 LEU 55 2HD1 LEU 55 1.518 3.702 -5.576 469 HD13 LEU 55 3HD1 LEU 55 0.288 4.442 -6.602 470 HD21 LEU 55 3HD2 LEU 55 1.821 3.455 -9.786 471 HD22 LEU 55 1HD2 LEU 55 2.093 5.015 -9.004 472 HD23 LEU 55 2HD2 LEU 55 0.474 4.313 -9.033 473 H LYS 56 H LYS 56 5.761 3.065 -10.052 474 HA LYS 56 HA LYS 56 7.777 1.319 -9.117 475 HB2 LYS 56 2HB LYS 56 7.595 2.229 -11.466 476 HB3 LYS 56 1HB LYS 56 8.119 3.779 -10.849 477 HG2 LYS 56 2HG LYS 56 9.798 1.284 -10.620 478 HG3 LYS 56 1HG LYS 56 9.840 2.342 -12.023 479 HD2 LYS 56 2HD LYS 56 10.631 4.171 -10.647 480 HD3 LYS 56 1HD LYS 56 10.452 3.193 -9.189 481 HE2 LYS 56 2HE LYS 56 12.788 3.280 -9.909 482 HE3 LYS 56 1HE LYS 56 12.143 1.646 -10.007 483 HZ1 LYS 56 3HZ LYS 56 11.913 1.924 -12.417 484 HZ2 LYS 56 1HZ LYS 56 13.480 2.187 -11.932 485 HZ3 LYS 56 2HZ LYS 56 12.513 3.502 -12.313 486 H TRP 57 H TRP 57 6.817 4.599 -8.283 487 HA TRP 57 HA TRP 57 9.210 5.259 -6.938 488 HB2 TRP 57 2HB TRP 57 8.041 7.076 -5.826 489 HB3 TRP 57 1HB TRP 57 7.472 6.994 -7.478 490 HD1 TRP 57 HD TRP 57 4.862 6.752 -7.796 491 HE1 TRP 57 1HE TRP 57 2.851 6.681 -6.171 492 HE3 TRP 57 3HE TRP 57 7.369 6.090 -3.410 493 HZ2 TRP 57 2HZ TRP 57 2.401 6.353 -3.330 494 HZ3 TRP 57 3HZ TRP 57 6.098 5.905 -1.336 495 HH2 TRP 57 HH TRP 57 3.650 6.018 -1.335 496 H ILE 58 H ILE 58 6.512 3.348 -6.049 497 HA ILE 58 HA ILE 58 6.798 3.216 -3.260 498 HB ILE 58 HB ILE 58 5.601 1.448 -5.355 499 HG12 ILE 58 2HG1 ILE 58 4.440 3.483 -4.524 500 HG13 ILE 58 1HG1 ILE 58 3.477 2.051 -4.281 501 HG21 ILE 58 1HG2 ILE 58 5.696 0.654 -2.459 502 HG22 ILE 58 2HG2 ILE 58 6.546 -0.127 -3.794 503 HG23 ILE 58 3HG2 ILE 58 4.783 -0.140 -3.753 504 HD11 ILE 58 3HD1 ILE 58 5.117 3.459 -2.222 505 HD12 ILE 58 1HD1 ILE 58 4.221 1.964 -1.968 506 HD13 ILE 58 2HD1 ILE 58 3.367 3.448 -2.388 507 H GLN 59 H GLN 59 8.015 1.079 -5.777 508 HA GLN 59 HA GLN 59 9.387 -0.467 -3.863 509 HB2 GLN 59 2HB GLN 59 10.378 -1.673 -5.826 510 HB3 GLN 59 1HB GLN 59 8.626 -1.637 -5.718 511 HG2 GLN 59 2HG GLN 59 8.593 0.168 -7.395 512 HG3 GLN 59 1HG GLN 59 10.347 0.026 -7.535 513 HE21 GLN 59 1HE2 GLN 59 8.318 -2.749 -6.987 514 HE22 GLN 59 2HE2 GLN 59 8.494 -3.440 -8.519 515 H GLU 60 H GLU 60 10.272 2.147 -5.973 516 HA GLU 60 HA GLU 60 13.054 1.869 -5.434 517 HB2 GLU 60 2HB GLU 60 12.270 2.784 -7.595 518 HB3 GLU 60 1HB GLU 60 11.444 4.076 -6.764 519 HG2 GLU 60 2HG GLU 60 13.391 4.939 -7.856 520 HG3 GLU 60 1HG GLU 60 13.640 5.009 -6.118 521 H TYR 61 H TYR 61 10.704 2.715 -3.521 522 HA TYR 61 HA TYR 61 12.461 4.485 -2.006 523 HB2 TYR 61 2HB TYR 61 10.483 5.695 -2.697 524 HB3 TYR 61 1HB TYR 61 9.446 4.428 -2.072 525 HD1 TYR 61 2HD TYR 61 12.375 6.088 -0.531 526 HD2 TYR 61 1HD TYR 61 8.192 5.432 -0.424 527 HE1 TYR 61 2HE TYR 61 12.246 7.329 1.593 528 HE2 TYR 61 1HE TYR 61 8.029 6.642 1.700 529 HH TYR 61 HH TYR 61 10.615 8.543 2.877 530 H LEU 62 H LEU 62 9.716 2.287 -1.447 531 HA LEU 62 HA LEU 62 10.510 1.871 1.236 532 HB2 LEU 62 2HB LEU 62 8.184 1.731 -0.157 533 HB3 LEU 62 1HB LEU 62 8.637 0.080 -0.138 534 HG LEU 62 HG LEU 62 7.061 0.704 1.690 535 HD11 LEU 62 1HD1 LEU 62 8.409 -1.339 1.859 536 HD12 LEU 62 2HD1 LEU 62 8.186 -0.597 3.443 537 HD13 LEU 62 3HD1 LEU 62 9.719 -0.413 2.589 538 HD21 LEU 62 3HD2 LEU 62 9.480 2.041 2.810 539 HD22 LEU 62 1HD2 LEU 62 7.942 1.843 3.649 540 HD23 LEU 62 2HD2 LEU 62 8.052 2.859 2.189 541 H GLU 63 H GLU 63 11.187 0.337 -1.737 542 HA GLU 63 HA GLU 63 12.054 -2.054 -0.288 543 HB2 GLU 63 2HB GLU 63 11.219 -1.751 -3.159 544 HB3 GLU 63 1HB GLU 63 12.061 -3.183 -2.573 545 HG2 GLU 63 2HG GLU 63 9.421 -2.163 -1.527 546 HG3 GLU 63 1HG GLU 63 9.618 -3.492 -2.670 547 H LYS 64 H LYS 64 13.050 0.539 -2.170 548 HA LYS 64 HA LYS 64 15.588 -0.667 -2.774 549 HB2 LYS 64 2HB LYS 64 14.416 0.609 -4.449 550 HB3 LYS 64 1HB LYS 64 14.400 2.017 -3.406 551 HG2 LYS 64 2HG LYS 64 16.029 2.321 -5.089 552 HG3 LYS 64 1HG LYS 64 16.866 2.065 -3.560 553 HD2 LYS 64 2HD LYS 64 17.417 -0.170 -4.169 554 HD3 LYS 64 1HD LYS 64 16.385 -0.096 -5.604 555 HE2 LYS 64 2HE LYS 64 18.824 1.601 -5.100 556 HE3 LYS 64 1HE LYS 64 18.747 0.208 -6.188 557 HZ1 LYS 64 3HZ LYS 64 18.495 2.321 -7.391 558 HZ2 LYS 64 1HZ LYS 64 17.115 2.696 -6.503 559 HZ3 LYS 64 2HZ LYS 64 17.116 1.378 -7.520 560 H ALA 65 H ALA 65 14.160 1.728 -0.651 561 HA ALA 65 HA ALA 65 16.857 2.382 0.337 562 HB1 ALA 65 1HB ALA 65 15.537 4.308 -0.414 563 HB2 ALA 65 2HB ALA 65 15.876 4.396 1.321 564 HB3 ALA 65 3HB ALA 65 14.283 3.885 0.753 565 H LEU 66 H LEU 66 13.660 1.407 1.387 566 HA LEU 66 HA LEU 66 14.550 1.188 4.125 567 HB2 LEU 66 2HB LEU 66 11.941 0.799 2.782 568 HB3 LEU 66 1HB LEU 66 12.125 0.217 4.405 569 HG LEU 66 HG LEU 66 11.031 2.344 4.517 570 HD11 LEU 66 1HD1 LEU 66 12.523 3.768 5.755 571 HD12 LEU 66 2HD1 LEU 66 13.915 2.873 5.153 572 HD13 LEU 66 3HD1 LEU 66 12.739 2.082 6.208 573 HD21 LEU 66 3HD2 LEU 66 11.910 4.400 3.490 574 HD22 LEU 66 1HD2 LEU 66 11.519 3.181 2.277 575 HD23 LEU 66 2HD2 LEU 66 13.195 3.459 2.737 576 H ASN 67 H ASN 67 14.809 -0.746 1.557 577 HA ASN 67 HA ASN 67 14.717 -3.128 3.294 578 HB2 ASN 67 2HB ASN 67 12.787 -2.763 1.578 579 HB3 ASN 67 1HB ASN 67 14.003 -3.158 0.414 580 HD21 ASN 67 1HD2 ASN 67 11.594 -4.462 1.320 581 HD22 ASN 67 2HD2 ASN 67 12.014 -6.116 1.614 582 H LYS 68 H LYS 68 15.746 -1.892 0.161 583 HA LYS 68 HA LYS 68 17.593 -2.076 -1.087 584 HB2 LYS 68 2HB LYS 68 18.998 -2.544 1.573 585 HB3 LYS 68 1HB LYS 68 19.787 -2.193 0.048 586 HG2 LYS 68 2HG LYS 68 18.711 -0.034 -0.032 587 HG3 LYS 68 1HG LYS 68 17.847 -0.396 1.459 588 HD2 LYS 68 2HD LYS 68 20.815 -0.370 1.192 589 HD3 LYS 68 1HD LYS 68 19.887 1.034 1.759 590 HE2 LYS 68 2HE LYS 68 19.059 -0.408 3.619 591 HE3 LYS 68 1HE LYS 68 20.103 -1.704 3.039 592 HZ1 LYS 68 3HZ LYS 68 21.150 -0.499 4.828 593 HZ2 LYS 68 1HZ LYS 68 20.977 0.952 3.997 594 HZ3 LYS 68 2HZ LYS 68 22.014 -0.227 3.396 Start of MODEL 7 1 H1 LYS 1 1HT LYS 1 -19.211 -8.203 -14.784 2 H2 LYS 1 2HT LYS 1 -19.955 -6.802 -14.317 3 H3 LYS 1 3HT LYS 1 -20.896 -8.072 -14.895 4 HA LYS 1 HA LYS 1 -21.091 -7.952 -12.515 5 HB2 LYS 1 2HB LYS 1 -19.175 -10.173 -13.271 6 HB3 LYS 1 1HB LYS 1 -20.234 -10.158 -11.877 7 HG2 LYS 1 2HG LYS 1 -22.180 -10.230 -13.356 8 HG3 LYS 1 1HG LYS 1 -21.106 -10.233 -14.756 9 HD2 LYS 1 2HD LYS 1 -20.091 -12.329 -13.953 10 HD3 LYS 1 1HD LYS 1 -21.213 -12.336 -12.593 11 HE2 LYS 1 2HE LYS 1 -22.016 -13.817 -14.331 12 HE3 LYS 1 1HE LYS 1 -23.091 -12.431 -14.171 13 HZ1 LYS 1 2HZ LYS 1 -21.994 -11.442 -16.134 14 HZ2 LYS 1 3HZ LYS 1 -22.684 -12.930 -16.481 15 HZ3 LYS 1 1HZ LYS 1 -21.020 -12.797 -16.278 16 HA PRO 2 HA PRO 2 -17.512 -6.046 -10.553 17 HB2 PRO 2 2HB PRO 2 -18.832 -7.065 -8.090 18 HB3 PRO 2 1HB PRO 2 -18.314 -5.420 -8.476 19 HG2 PRO 2 2HG PRO 2 -20.900 -6.058 -8.492 20 HG3 PRO 2 1HG PRO 2 -20.223 -4.963 -9.708 21 HD2 PRO 2 2HD PRO 2 -20.962 -7.845 -9.958 22 HD3 PRO 2 1HD PRO 2 -21.178 -6.510 -11.108 23 H VAL 3 H VAL 3 -15.671 -7.141 -10.583 24 HA VAL 3 HA VAL 3 -15.647 -9.960 -10.076 25 HB VAL 3 HB VAL 3 -13.241 -9.894 -10.736 26 HG11 VAL 3 1HG1 VAL 3 -14.976 -10.247 -12.411 27 HG12 VAL 3 2HG1 VAL 3 -13.640 -9.313 -13.082 28 HG13 VAL 3 3HG1 VAL 3 -15.140 -8.504 -12.628 29 HG21 VAL 3 3HG2 VAL 3 -12.723 -7.636 -9.930 30 HG22 VAL 3 1HG2 VAL 3 -13.774 -6.950 -11.166 31 HG23 VAL 3 2HG2 VAL 3 -12.305 -7.809 -11.635 32 H SER 4 H SER 4 -15.267 -7.343 -8.161 33 HA SER 4 HA SER 4 -13.487 -8.700 -6.301 34 HB2 SER 4 2HB SER 4 -13.196 -6.253 -6.731 35 HB3 SER 4 1HB SER 4 -14.798 -5.971 -6.054 36 HG SER 4 HG SER 4 -14.034 -6.202 -4.141 37 H LEU 5 H LEU 5 -14.495 -10.230 -5.251 38 HA LEU 5 HA LEU 5 -17.286 -9.887 -4.434 39 HB2 LEU 5 2HB LEU 5 -15.536 -12.345 -4.444 40 HB3 LEU 5 1HB LEU 5 -17.232 -12.308 -4.012 41 HG LEU 5 HG LEU 5 -16.085 -11.732 -6.744 42 HD11 LEU 5 1HD1 LEU 5 -15.921 -14.079 -6.136 43 HD12 LEU 5 2HD1 LEU 5 -17.152 -13.838 -7.377 44 HD13 LEU 5 3HD1 LEU 5 -17.631 -14.097 -5.700 45 HD21 LEU 5 3HD2 LEU 5 -18.953 -11.917 -5.816 46 HD22 LEU 5 1HD2 LEU 5 -18.419 -11.759 -7.488 47 HD23 LEU 5 2HD2 LEU 5 -18.121 -10.451 -6.343 48 H SER 6 H SER 6 -14.254 -11.216 -3.098 49 HA SER 6 HA SER 6 -15.046 -10.190 -0.491 50 HB2 SER 6 2HB SER 6 -14.294 -12.367 0.484 51 HB3 SER 6 1HB SER 6 -15.746 -12.501 -0.506 52 HG SER 6 HG SER 6 -14.718 -13.912 -1.594 53 H TYR 7 H TYR 7 -13.206 -10.007 0.961 54 HA TYR 7 HA TYR 7 -10.717 -9.987 -0.514 55 HB2 TYR 7 2HB TYR 7 -9.938 -8.046 0.804 56 HB3 TYR 7 1HB TYR 7 -11.319 -7.670 -0.202 57 HD1 TYR 7 1HD TYR 7 -13.519 -7.265 0.885 58 HD2 TYR 7 2HD TYR 7 -9.985 -7.840 3.138 59 HE1 TYR 7 1HE TYR 7 -14.619 -6.253 2.853 60 HE2 TYR 7 2HE TYR 7 -11.061 -6.829 5.117 61 HH TYR 7 HH TYR 7 -14.415 -6.278 5.245 62 H ARG 8 H ARG 8 -9.674 -11.542 -0.064 63 HA ARG 8 HA ARG 8 -9.428 -12.399 2.696 64 HB2 ARG 8 2HB ARG 8 -8.086 -14.349 1.700 65 HB3 ARG 8 1HB ARG 8 -9.813 -14.354 1.420 66 HG2 ARG 8 2HG ARG 8 -7.838 -13.332 -0.618 67 HG3 ARG 8 1HG ARG 8 -8.280 -15.037 -0.509 68 HD2 ARG 8 2HD ARG 8 -10.631 -14.449 -0.863 69 HD3 ARG 8 1HD ARG 8 -10.224 -12.748 -0.968 70 HE ARG 8 HE ARG 8 -8.697 -14.098 -2.842 71 HH11 ARG 8 1HH1 ARG 8 -12.173 -13.398 -2.237 72 HH12 ARG 8 2HH1 ARG 8 -12.566 -13.433 -3.881 73 HH21 ARG 8 1HH2 ARG 8 -9.369 -14.175 -5.124 74 HH22 ARG 8 2HH2 ARG 8 -10.992 -13.886 -5.524 75 H CYS 9 H CYS 9 -8.192 -10.217 0.955 76 HA CYS 9 HA CYS 9 -5.535 -10.318 2.213 77 HB2 CYS 9 2HB CYS 9 -6.392 -8.879 -0.320 78 HB3 CYS 9 1HB CYS 9 -4.784 -8.880 0.376 79 HA PRO 10 HA PRO 10 -7.247 -6.626 4.245 80 HB2 PRO 10 2HB PRO 10 -4.753 -5.403 4.622 81 HB3 PRO 10 1HB PRO 10 -5.535 -6.475 5.788 82 HG2 PRO 10 2HG PRO 10 -3.385 -7.049 3.807 83 HG3 PRO 10 1HG PRO 10 -3.635 -7.736 5.421 84 HD2 PRO 10 2HD PRO 10 -4.189 -9.091 3.175 85 HD3 PRO 10 1HD PRO 10 -5.166 -9.287 4.643 86 H CYS 11 H CYS 11 -4.809 -6.660 1.751 87 HA CYS 11 HA CYS 11 -6.073 -4.302 0.602 88 HB2 CYS 11 2HB CYS 11 -3.207 -5.167 0.345 89 HB3 CYS 11 1HB CYS 11 -3.938 -3.882 -0.607 90 H ARG 12 H ARG 12 -7.581 -5.530 -0.340 91 HA ARG 12 HA ARG 12 -6.767 -7.265 -2.563 92 HB2 ARG 12 2HB ARG 12 -8.663 -7.737 -0.858 93 HB3 ARG 12 1HB ARG 12 -9.550 -6.461 -1.638 94 HG2 ARG 12 2HG ARG 12 -8.700 -9.016 -3.037 95 HG3 ARG 12 1HG ARG 12 -10.214 -8.855 -2.175 96 HD2 ARG 12 2HD ARG 12 -10.794 -8.551 -4.419 97 HD3 ARG 12 1HD ARG 12 -10.679 -6.913 -3.802 98 HE ARG 12 HE ARG 12 -8.248 -7.825 -4.957 99 HH11 ARG 12 1HH1 ARG 12 -11.410 -6.424 -5.679 100 HH12 ARG 12 2HH1 ARG 12 -10.944 -5.801 -7.200 101 HH21 ARG 12 1HH2 ARG 12 -7.606 -6.966 -7.042 102 HH22 ARG 12 2HH2 ARG 12 -8.744 -6.130 -7.997 103 H PHE 13 H PHE 13 -7.934 -4.166 -1.642 104 HA PHE 13 HA PHE 13 -8.432 -3.354 -4.390 105 HB2 PHE 13 2HB PHE 13 -8.901 -1.841 -1.823 106 HB3 PHE 13 1HB PHE 13 -9.479 -1.409 -3.421 107 HD1 PHE 13 2HD PHE 13 -11.270 -2.732 -4.490 108 HD2 PHE 13 1HD PHE 13 -10.078 -3.408 -0.466 109 HE1 PHE 13 2HE PHE 13 -13.362 -3.961 -4.076 110 HE2 PHE 13 1HE PHE 13 -12.161 -4.639 -0.043 111 HZ PHE 13 HZ PHE 13 -13.805 -4.916 -1.846 112 H PHE 14 H PHE 14 -7.001 -2.011 -5.297 113 HA PHE 14 HA PHE 14 -4.868 -0.893 -3.640 114 HB2 PHE 14 2HB PHE 14 -4.584 -2.193 -6.347 115 HB3 PHE 14 1HB PHE 14 -3.341 -1.236 -5.558 116 HD1 PHE 14 2HD PHE 14 -2.652 -1.979 -3.224 117 HD2 PHE 14 1HD PHE 14 -4.639 -4.484 -6.000 118 HE1 PHE 14 2HE PHE 14 -1.769 -3.899 -2.075 119 HE2 PHE 14 1HE PHE 14 -3.772 -6.469 -4.840 120 HZ PHE 14 HZ PHE 14 -2.320 -6.191 -2.858 121 H GLU 15 H GLU 15 -4.210 1.128 -4.162 122 HA GLU 15 HA GLU 15 -5.626 2.441 -6.333 123 HB2 GLU 15 2HB GLU 15 -6.224 3.265 -4.103 124 HB3 GLU 15 1HB GLU 15 -4.554 3.601 -3.742 125 HG2 GLU 15 2HG GLU 15 -5.859 5.616 -4.368 126 HG3 GLU 15 1HG GLU 15 -4.465 5.325 -5.415 127 H SER 16 H SER 16 -4.451 3.635 -7.767 128 HA SER 16 HA SER 16 -1.535 3.229 -7.690 129 HB2 SER 16 2HB SER 16 -3.318 3.805 -10.055 130 HB3 SER 16 1HB SER 16 -1.612 3.349 -10.085 131 HG SER 16 HG SER 16 -2.133 1.388 -9.927 132 H HIS 17 H HIS 17 -4.026 5.517 -7.445 133 HA HIS 17 HA HIS 17 -2.622 7.740 -8.639 134 HB2 HIS 17 2HB HIS 17 -5.143 7.714 -6.968 135 HB3 HIS 17 1HB HIS 17 -4.518 9.110 -7.837 136 HD1 HIS 17 1HD HIS 17 -7.315 7.600 -8.269 137 HD2 HIS 17 2HD HIS 17 -3.938 7.290 -10.657 138 HE1 HIS 17 1HE HIS 17 -8.162 6.943 -10.533 139 HE2 HIS 17 2HE HIS 17 -6.079 6.584 -11.914 140 H VAL 18 H VAL 18 -2.079 6.162 -5.857 141 HA VAL 18 HA VAL 18 -1.914 8.165 -3.922 142 HB VAL 18 HB VAL 18 -0.325 5.602 -4.160 143 HG11 VAL 18 1HG1 VAL 18 0.593 7.176 -2.537 144 HG12 VAL 18 2HG1 VAL 18 -0.102 5.756 -1.756 145 HG13 VAL 18 3HG1 VAL 18 -0.987 7.283 -1.761 146 HG21 VAL 18 3HG2 VAL 18 -2.974 6.130 -2.821 147 HG22 VAL 18 1HG2 VAL 18 -2.058 4.629 -2.709 148 HG23 VAL 18 2HG2 VAL 18 -2.705 5.154 -4.263 149 H ALA 19 H ALA 19 -0.494 9.750 -3.673 150 HA ALA 19 HA ALA 19 2.014 9.719 -5.203 151 HB1 ALA 19 1HB ALA 19 0.514 11.610 -5.683 152 HB2 ALA 19 2HB ALA 19 2.007 12.154 -4.909 153 HB3 ALA 19 3HB ALA 19 0.523 12.034 -3.967 154 H ARG 20 H ARG 20 3.908 9.775 -4.099 155 HA ARG 20 HA ARG 20 3.958 8.932 -1.430 156 HB2 ARG 20 2HB ARG 20 5.734 8.370 -2.940 157 HB3 ARG 20 1HB ARG 20 6.214 10.038 -3.122 158 HG2 ARG 20 2HG ARG 20 6.959 10.100 -0.810 159 HG3 ARG 20 1HG ARG 20 6.351 8.466 -0.556 160 HD2 ARG 20 2HD ARG 20 8.783 8.480 -0.912 161 HD3 ARG 20 1HD ARG 20 7.949 7.589 -2.171 162 HE ARG 20 HE ARG 20 8.468 10.340 -2.799 163 HH11 ARG 20 1HH1 ARG 20 9.708 7.009 -3.035 164 HH12 ARG 20 2HH1 ARG 20 10.860 7.346 -4.233 165 HH21 ARG 20 1HH2 ARG 20 10.049 10.797 -4.475 166 HH22 ARG 20 2HH2 ARG 20 11.059 9.553 -5.072 167 H ALA 21 H ALA 21 4.160 12.156 -2.715 168 HA ALA 21 HA ALA 21 5.085 13.385 -0.331 169 HB1 ALA 21 1HB ALA 21 4.445 15.495 -1.379 170 HB2 ALA 21 2HB ALA 21 3.540 14.616 -2.611 171 HB3 ALA 21 3HB ALA 21 5.293 14.459 -2.525 172 H ASN 22 H ASN 22 2.045 12.151 -1.254 173 HA ASN 22 HA ASN 22 0.543 13.801 0.690 174 HB2 ASN 22 2HB ASN 22 -0.258 13.289 -1.722 175 HB3 ASN 22 1HB ASN 22 -0.473 11.641 -1.186 176 HD21 ASN 22 1HD2 ASN 22 -1.556 12.481 1.460 177 HD22 ASN 22 2HD2 ASN 22 -3.141 13.090 1.109 178 H VAL 23 H VAL 23 2.093 10.807 0.306 179 HA VAL 23 HA VAL 23 0.564 9.336 2.249 180 HB VAL 23 HB VAL 23 3.311 8.718 1.104 181 HG11 VAL 23 1HG1 VAL 23 2.810 6.417 1.744 182 HG12 VAL 23 2HG1 VAL 23 1.313 6.953 2.499 183 HG13 VAL 23 3HG1 VAL 23 2.864 7.493 3.147 184 HG21 VAL 23 3HG2 VAL 23 1.652 8.897 -0.656 185 HG22 VAL 23 1HG2 VAL 23 0.601 7.781 0.197 186 HG23 VAL 23 2HG2 VAL 23 2.143 7.224 -0.452 187 H LYS 24 H LYS 24 0.852 9.407 4.392 188 HA LYS 24 HA LYS 24 2.840 11.144 5.522 189 HB2 LYS 24 2HB LYS 24 0.522 10.817 6.571 190 HB3 LYS 24 1HB LYS 24 1.052 9.169 6.953 191 HG2 LYS 24 2HG LYS 24 2.585 10.080 8.410 192 HG3 LYS 24 1HG LYS 24 2.256 11.715 7.817 193 HD2 LYS 24 2HD LYS 24 -0.128 11.382 8.459 194 HD3 LYS 24 1HD LYS 24 0.369 9.875 9.243 195 HE2 LYS 24 2HE LYS 24 1.997 11.042 10.361 196 HE3 LYS 24 1HE LYS 24 1.432 12.578 9.722 197 HZ1 LYS 24 3HZ LYS 24 -0.786 12.138 10.773 198 HZ2 LYS 24 1HZ LYS 24 0.417 12.304 11.934 199 HZ3 LYS 24 2HZ LYS 24 -0.157 10.792 11.546 200 H ARG 25 H ARG 25 2.081 7.757 5.714 201 HA ARG 25 HA ARG 25 4.850 7.006 5.650 202 HB2 ARG 25 2HB ARG 25 4.424 7.442 8.071 203 HB3 ARG 25 1HB ARG 25 3.109 6.286 8.042 204 HG2 ARG 25 2HG ARG 25 5.114 5.341 9.043 205 HG3 ARG 25 1HG ARG 25 4.703 4.492 7.549 206 HD2 ARG 25 2HD ARG 25 6.347 5.752 6.340 207 HD3 ARG 25 1HD ARG 25 6.744 6.701 7.773 208 HE ARG 25 HE ARG 25 7.107 4.050 8.407 209 HH11 ARG 25 1HH1 ARG 25 8.416 6.317 6.045 210 HH12 ARG 25 2HH1 ARG 25 9.987 5.669 6.045 211 HH21 ARG 25 1HH2 ARG 25 9.310 3.104 8.405 212 HH22 ARG 25 2HH2 ARG 25 10.492 3.824 7.409 213 H LEU 26 H LEU 26 5.045 4.749 5.018 214 HA LEU 26 HA LEU 26 2.556 3.335 4.615 215 HB2 LEU 26 2HB LEU 26 2.975 2.831 2.324 216 HB3 LEU 26 1HB LEU 26 2.927 4.561 2.519 217 HG LEU 26 HG LEU 26 5.509 3.007 2.310 218 HD11 LEU 26 1HD1 LEU 26 5.523 3.657 -0.018 219 HD12 LEU 26 2HD1 LEU 26 3.913 4.363 0.177 220 HD13 LEU 26 3HD1 LEU 26 4.143 2.620 0.364 221 HD21 LEU 26 3HD2 LEU 26 4.872 5.911 1.792 222 HD22 LEU 26 1HD2 LEU 26 6.420 5.091 1.610 223 HD23 LEU 26 2HD2 LEU 26 5.713 5.277 3.226 224 H LYS 27 H LYS 27 2.904 1.118 4.047 225 HA LYS 27 HA LYS 27 5.573 0.058 4.506 226 HB2 LYS 27 2HB LYS 27 3.110 -0.794 6.031 227 HB3 LYS 27 1HB LYS 27 4.577 -1.756 5.937 228 HG2 LYS 27 2HG LYS 27 5.802 -0.031 7.042 229 HG3 LYS 27 1HG LYS 27 4.373 1.010 7.001 230 HD2 LYS 27 2HD LYS 27 3.173 -0.600 8.424 231 HD3 LYS 27 1HD LYS 27 4.588 -1.653 8.433 232 HE2 LYS 27 2HE LYS 27 5.871 0.114 9.556 233 HE3 LYS 27 1HE LYS 27 4.427 1.134 9.548 234 HZ1 LYS 27 3HZ LYS 27 3.316 -0.468 10.952 235 HZ2 LYS 27 1HZ LYS 27 4.727 0.003 11.691 236 HZ3 LYS 27 2HZ LYS 27 4.653 -1.486 10.923 237 H ILE 28 H ILE 28 5.866 -1.892 3.668 238 HA ILE 28 HA ILE 28 3.802 -2.864 1.790 239 HB ILE 28 HB ILE 28 6.811 -3.258 1.553 240 HG12 ILE 28 2HG1 ILE 28 4.916 -1.561 -0.097 241 HG13 ILE 28 1HG1 ILE 28 6.226 -0.997 0.929 242 HG21 ILE 28 1HG2 ILE 28 4.599 -4.188 -0.284 243 HG22 ILE 28 2HG2 ILE 28 5.646 -5.212 0.707 244 HG23 ILE 28 3HG2 ILE 28 6.323 -4.279 -0.633 245 HD11 ILE 28 3HD1 ILE 28 6.863 -0.898 -1.411 246 HD12 ILE 28 1HD1 ILE 28 6.516 -2.614 -1.592 247 HD13 ILE 28 2HD1 ILE 28 7.848 -2.097 -0.562 248 H LEU 29 H LEU 29 2.848 -4.575 2.568 249 HA LEU 29 HA LEU 29 4.360 -6.344 4.330 250 HB2 LEU 29 2HB LEU 29 2.208 -5.423 5.151 251 HB3 LEU 29 1HB LEU 29 1.389 -6.176 3.802 252 HG LEU 29 HG LEU 29 2.049 -8.404 4.683 253 HD11 LEU 29 1HD1 LEU 29 2.890 -8.569 6.977 254 HD12 LEU 29 2HD1 LEU 29 3.081 -6.818 7.025 255 HD13 LEU 29 3HD1 LEU 29 4.040 -7.779 5.902 256 HD21 LEU 29 3HD2 LEU 29 0.531 -6.647 6.611 257 HD22 LEU 29 1HD2 LEU 29 0.477 -8.410 6.563 258 HD23 LEU 29 2HD2 LEU 29 -0.143 -7.471 5.205 259 H ASN 30 H ASN 30 5.320 -7.874 3.212 260 HA ASN 30 HA ASN 30 4.177 -8.902 0.739 261 HB2 ASN 30 2HB ASN 30 6.824 -9.509 2.113 262 HB3 ASN 30 1HB ASN 30 6.302 -10.178 0.578 263 HD21 ASN 30 1HD2 ASN 30 6.493 -8.942 -1.233 264 HD22 ASN 30 2HD2 ASN 30 7.299 -7.413 -1.242 265 H THR 31 H THR 31 2.493 -10.154 1.232 266 HA THR 31 HA THR 31 2.794 -12.123 3.310 267 HB THR 31 HB THR 31 0.385 -12.654 2.750 268 HG1 THR 31 1HG THR 31 -0.294 -10.417 1.564 269 HG21 THR 31 3HG2 THR 31 0.997 -9.787 3.474 270 HG22 THR 31 1HG2 THR 31 0.913 -11.141 4.607 271 HG23 THR 31 2HG2 THR 31 -0.538 -10.591 3.752 272 HA PRO 32 HA PRO 32 3.876 -15.247 0.262 273 HB2 PRO 32 2HB PRO 32 2.577 -17.183 2.082 274 HB3 PRO 32 1HB PRO 32 4.250 -17.128 1.520 275 HG2 PRO 32 2HG PRO 32 3.616 -16.495 4.047 276 HG3 PRO 32 1HG PRO 32 4.906 -15.649 3.171 277 HD2 PRO 32 2HD PRO 32 2.108 -14.766 3.744 278 HD3 PRO 32 1HD PRO 32 3.629 -13.841 3.776 279 H ASN 33 H ASN 33 0.748 -14.724 1.520 280 HA ASN 33 HA ASN 33 -0.560 -16.505 -0.368 281 HB2 ASN 33 2HB ASN 33 -2.640 -15.918 0.838 282 HB3 ASN 33 1HB ASN 33 -1.390 -16.567 1.896 283 HD21 ASN 33 1HD2 ASN 33 -3.299 -13.793 1.089 284 HD22 ASN 33 2HD2 ASN 33 -2.771 -12.831 2.429 285 H CYS 34 H CYS 34 -0.324 -12.944 0.200 286 HA CYS 34 HA CYS 34 -1.928 -12.646 -2.260 287 HB2 CYS 34 2HB CYS 34 -2.679 -11.645 0.172 288 HB3 CYS 34 1HB CYS 34 -1.542 -10.443 -0.311 289 H ALA 35 H ALA 35 1.113 -12.873 -1.606 290 HA ALA 35 HA ALA 35 3.034 -12.259 -2.500 291 HB1 ALA 35 1HB ALA 35 1.485 -10.428 -4.345 292 HB2 ALA 35 2HB ALA 35 1.865 -12.122 -4.671 293 HB3 ALA 35 3HB ALA 35 3.161 -10.939 -4.546 294 H LEU 36 H LEU 36 1.444 -9.132 -2.826 295 HA LEU 36 HA LEU 36 2.625 -8.152 -0.521 296 HB2 LEU 36 2HB LEU 36 3.936 -6.278 -1.832 297 HB3 LEU 36 1HB LEU 36 4.675 -7.781 -1.339 298 HG LEU 36 HG LEU 36 4.347 -8.650 -3.636 299 HD11 LEU 36 1HD1 LEU 36 3.466 -5.865 -4.237 300 HD12 LEU 36 2HD1 LEU 36 2.462 -7.314 -4.312 301 HD13 LEU 36 3HD1 LEU 36 3.820 -7.128 -5.426 302 HD21 LEU 36 3HD2 LEU 36 6.406 -7.689 -2.922 303 HD22 LEU 36 1HD2 LEU 36 5.864 -6.079 -3.398 304 HD23 LEU 36 2HD2 LEU 36 6.133 -7.323 -4.635 305 H GLN 37 H GLN 37 1.814 -6.612 0.394 306 HA GLN 37 HA GLN 37 -0.448 -5.233 -0.898 307 HB2 GLN 37 2HB GLN 37 -0.087 -6.367 1.860 308 HB3 GLN 37 1HB GLN 37 -1.483 -5.432 1.357 309 HG2 GLN 37 2HG GLN 37 -2.190 -7.127 -0.156 310 HG3 GLN 37 1HG GLN 37 -0.655 -7.976 -0.016 311 HE21 GLN 37 1HE2 GLN 37 -0.490 -7.738 2.809 312 HE22 GLN 37 2HE2 GLN 37 -1.648 -8.817 3.493 313 H ILE 38 H ILE 38 -0.323 -3.006 -0.648 314 HA ILE 38 HA ILE 38 1.696 -1.988 1.245 315 HB ILE 38 HB ILE 38 0.899 -0.741 -1.389 316 HG12 ILE 38 2HG1 ILE 38 3.313 -2.462 -0.782 317 HG13 ILE 38 1HG1 ILE 38 1.937 -2.937 -1.752 318 HG21 ILE 38 1HG2 ILE 38 3.248 -0.283 0.474 319 HG22 ILE 38 2HG2 ILE 38 1.860 0.784 0.284 320 HG23 ILE 38 3HG2 ILE 38 2.980 0.553 -1.060 321 HD11 ILE 38 3HD1 ILE 38 3.776 -0.669 -2.372 322 HD12 ILE 38 1HD1 ILE 38 2.442 -1.234 -3.377 323 HD13 ILE 38 2HD1 ILE 38 3.853 -2.269 -3.099 324 H VAL 39 H VAL 39 1.116 -0.009 2.289 325 HA VAL 39 HA VAL 39 -1.683 0.806 1.949 326 HB VAL 39 HB VAL 39 -1.877 1.122 4.438 327 HG11 VAL 39 1HG1 VAL 39 -2.862 -0.831 3.375 328 HG12 VAL 39 2HG1 VAL 39 -2.230 -1.247 4.970 329 HG13 VAL 39 3HG1 VAL 39 -1.333 -1.697 3.518 330 HG21 VAL 39 3HG2 VAL 39 -0.302 -0.077 5.903 331 HG22 VAL 39 1HG2 VAL 39 0.511 1.202 4.996 332 HG23 VAL 39 2HG2 VAL 39 0.686 -0.478 4.499 333 H ALA 40 H ALA 40 -2.080 2.957 1.896 334 HA ALA 40 HA ALA 40 0.162 4.792 2.500 335 HB1 ALA 40 1HB ALA 40 -2.040 5.120 0.468 336 HB2 ALA 40 2HB ALA 40 -0.397 4.695 0.076 337 HB3 ALA 40 3HB ALA 40 -0.752 6.262 0.782 338 H ARG 41 H ARG 41 -0.350 5.832 4.350 339 HA ARG 41 HA ARG 41 -3.136 6.632 4.636 340 HB2 ARG 41 2HB ARG 41 -2.204 5.576 6.649 341 HB3 ARG 41 1HB ARG 41 -0.918 6.789 6.664 342 HG2 ARG 41 2HG ARG 41 -2.365 8.475 7.193 343 HG3 ARG 41 1HG ARG 41 -3.801 7.523 6.816 344 HD2 ARG 41 2HD ARG 41 -3.562 7.657 9.224 345 HD3 ARG 41 1HD ARG 41 -3.200 6.019 8.673 346 HE ARG 41 HE ARG 41 -0.806 7.438 8.795 347 HH11 ARG 41 1HH1 ARG 41 -3.260 6.152 10.967 348 HH12 ARG 41 2HH1 ARG 41 -2.217 5.956 12.299 349 HH21 ARG 41 1HH2 ARG 41 0.687 7.202 10.672 350 HH22 ARG 41 2HH2 ARG 41 0.054 6.579 12.109 351 H LEU 42 H LEU 42 -3.740 8.510 4.289 352 HA LEU 42 HA LEU 42 -1.896 10.355 3.089 353 HB2 LEU 42 2HB LEU 42 -4.719 10.690 3.848 354 HB3 LEU 42 1HB LEU 42 -3.946 11.875 2.855 355 HG LEU 42 HG LEU 42 -5.128 9.280 2.255 356 HD11 LEU 42 1HD1 LEU 42 -5.628 10.271 0.066 357 HD12 LEU 42 2HD1 LEU 42 -4.792 11.722 0.589 358 HD13 LEU 42 3HD1 LEU 42 -6.241 11.183 1.438 359 HD21 LEU 42 3HD2 LEU 42 -2.633 10.073 0.725 360 HD22 LEU 42 1HD2 LEU 42 -3.756 8.804 0.230 361 HD23 LEU 42 2HD2 LEU 42 -2.840 8.634 1.726 362 H LYS 43 H LYS 43 -1.092 12.236 3.812 363 HA LYS 43 HA LYS 43 -0.621 12.607 6.549 364 HB2 LYS 43 2HB LYS 43 -0.365 14.568 4.248 365 HB3 LYS 43 1HB LYS 43 0.355 14.812 5.811 366 HG2 LYS 43 2HG LYS 43 1.755 12.949 5.524 367 HG3 LYS 43 1HG LYS 43 1.018 12.615 3.946 368 HD2 LYS 43 2HD LYS 43 1.746 14.681 3.066 369 HD3 LYS 43 1HD LYS 43 2.225 15.265 4.662 370 HE2 LYS 43 2HE LYS 43 3.830 13.664 4.826 371 HE3 LYS 43 1HE LYS 43 3.469 12.915 3.257 372 HZ1 LYS 43 3HZ LYS 43 4.473 15.706 3.699 373 HZ2 LYS 43 1HZ LYS 43 3.998 15.086 2.221 374 HZ3 LYS 43 2HZ LYS 43 5.368 14.462 2.976 375 H ASN 44 H ASN 44 -2.878 14.207 4.353 376 HA ASN 44 HA ASN 44 -3.950 15.842 6.542 377 HB2 ASN 44 2HB ASN 44 -3.433 16.964 4.419 378 HB3 ASN 44 1HB ASN 44 -4.551 15.899 3.579 379 HD21 ASN 44 1HD2 ASN 44 -5.827 17.566 2.851 380 HD22 ASN 44 2HD2 ASN 44 -6.839 18.496 3.894 381 H ASN 45 H ASN 45 -5.064 13.570 4.091 382 HA ASN 45 HA ASN 45 -7.760 13.584 4.923 383 HB2 ASN 45 2HB ASN 45 -7.042 12.901 2.667 384 HB3 ASN 45 1HB ASN 45 -6.326 11.461 3.365 385 HD21 ASN 45 1HD2 ASN 45 -7.578 10.139 2.085 386 HD22 ASN 45 2HD2 ASN 45 -9.259 9.909 2.352 387 H ASN 46 H ASN 46 -4.983 11.855 6.049 388 HA ASN 46 HA ASN 46 -4.572 10.439 7.756 389 HB2 ASN 46 2HB ASN 46 -5.887 12.188 9.027 390 HB3 ASN 46 1HB ASN 46 -7.323 11.209 8.792 391 HD21 ASN 46 1HD2 ASN 46 -7.651 10.879 10.978 392 HD22 ASN 46 2HD2 ASN 46 -6.629 9.878 11.934 393 H ARG 47 H ARG 47 -6.364 9.677 5.390 394 HA ARG 47 HA ARG 47 -7.366 7.188 6.569 395 HB2 ARG 47 2HB ARG 47 -8.163 8.508 3.983 396 HB3 ARG 47 1HB ARG 47 -8.715 6.926 4.500 397 HG2 ARG 47 2HG ARG 47 -9.803 7.905 6.433 398 HG3 ARG 47 1HG ARG 47 -9.218 9.506 5.963 399 HD2 ARG 47 2HD ARG 47 -10.413 9.296 3.858 400 HD3 ARG 47 1HD ARG 47 -11.047 7.736 4.366 401 HE ARG 47 HE ARG 47 -12.024 9.033 6.290 402 HH11 ARG 47 1HH1 ARG 47 -11.523 10.492 3.098 403 HH12 ARG 47 2HH1 ARG 47 -12.800 11.600 3.253 404 HH21 ARG 47 1HH2 ARG 47 -13.824 10.529 6.446 405 HH22 ARG 47 2HH2 ARG 47 -14.147 11.598 5.159 406 H GLN 48 H GLN 48 -6.991 5.275 5.500 407 HA GLN 48 HA GLN 48 -4.516 5.368 4.046 408 HB2 GLN 48 2HB GLN 48 -4.121 4.577 6.176 409 HB3 GLN 48 1HB GLN 48 -5.567 3.591 6.175 410 HG2 GLN 48 2HG GLN 48 -4.678 2.135 4.649 411 HG3 GLN 48 1HG GLN 48 -3.274 3.138 4.320 412 HE21 GLN 48 1HE2 GLN 48 -4.811 0.866 6.399 413 HE22 GLN 48 2HE2 GLN 48 -3.490 0.584 7.476 414 H VAL 49 H VAL 49 -4.578 4.697 2.132 415 HA VAL 49 HA VAL 49 -6.548 2.674 1.339 416 HB VAL 49 HB VAL 49 -6.396 3.576 -0.979 417 HG11 VAL 49 1HG1 VAL 49 -7.707 5.622 -0.628 418 HG12 VAL 49 2HG1 VAL 49 -7.223 5.639 1.066 419 HG13 VAL 49 3HG1 VAL 49 -8.224 4.324 0.448 420 HG21 VAL 49 3HG2 VAL 49 -4.786 5.809 0.280 421 HG22 VAL 49 1HG2 VAL 49 -5.382 5.787 -1.382 422 HG23 VAL 49 2HG2 VAL 49 -4.180 4.606 -0.855 423 H CYS 50 H CYS 50 -5.790 0.985 0.256 424 HA CYS 50 HA CYS 50 -3.053 0.346 0.533 425 HB2 CYS 50 2HB CYS 50 -5.263 -0.988 -0.973 426 HB3 CYS 50 1HB CYS 50 -3.705 -1.733 -0.782 427 H ILE 51 H ILE 51 -1.447 0.185 -0.957 428 HA ILE 51 HA ILE 51 -1.881 1.832 -3.364 429 HB ILE 51 HB ILE 51 0.831 1.052 -2.310 430 HG12 ILE 51 2HG1 ILE 51 -0.754 3.492 -1.507 431 HG13 ILE 51 1HG1 ILE 51 -0.390 2.134 -0.446 432 HG21 ILE 51 1HG2 ILE 51 -0.259 3.330 -3.931 433 HG22 ILE 51 2HG2 ILE 51 0.683 1.975 -4.535 434 HG23 ILE 51 3HG2 ILE 51 1.437 3.172 -3.467 435 HD11 ILE 51 3HD1 ILE 51 1.236 3.844 0.075 436 HD12 ILE 51 1HD1 ILE 51 1.570 4.074 -1.654 437 HD13 ILE 51 2HD1 ILE 51 2.026 2.591 -0.848 438 H ASP 52 H ASP 52 -1.335 1.037 -5.326 439 HA ASP 52 HA ASP 52 -1.033 -1.806 -5.587 440 HB2 ASP 52 2HB ASP 52 -2.440 -0.497 -7.165 441 HB3 ASP 52 1HB ASP 52 -1.018 0.404 -7.652 442 HA PRO 53 HA PRO 53 3.409 -1.509 -5.417 443 HB2 PRO 53 2HB PRO 53 4.034 -3.985 -6.274 444 HB3 PRO 53 1HB PRO 53 3.495 -3.613 -4.638 445 HG2 PRO 53 2HG PRO 53 1.909 -4.766 -6.899 446 HG3 PRO 53 1HG PRO 53 1.831 -5.122 -5.158 447 HD2 PRO 53 2HD PRO 53 0.026 -3.533 -6.454 448 HD3 PRO 53 1HD PRO 53 0.434 -3.361 -4.738 449 H LYS 54 H LYS 54 1.761 -1.556 -8.386 450 HA LYS 54 HA LYS 54 4.148 -2.007 -9.967 451 HB2 LYS 54 2HB LYS 54 1.552 -0.733 -10.848 452 HB3 LYS 54 1HB LYS 54 2.844 -1.263 -11.894 453 HG2 LYS 54 2HG LYS 54 1.003 -3.033 -10.261 454 HG3 LYS 54 1HG LYS 54 0.913 -2.768 -11.989 455 HD2 LYS 54 2HD LYS 54 1.928 -4.863 -11.795 456 HD3 LYS 54 1HD LYS 54 3.292 -3.782 -12.050 457 HE2 LYS 54 2HE LYS 54 3.727 -3.796 -9.599 458 HE3 LYS 54 1HE LYS 54 2.341 -4.855 -9.393 459 HZ1 LYS 54 3HZ LYS 54 4.399 -6.070 -9.387 460 HZ2 LYS 54 1HZ LYS 54 4.799 -5.505 -10.910 461 HZ3 LYS 54 2HZ LYS 54 3.460 -6.529 -10.707 462 H LEU 55 H LEU 55 2.870 0.607 -8.203 463 HA LEU 55 HA LEU 55 3.913 2.736 -9.693 464 HB2 LEU 55 2HB LEU 55 3.570 2.516 -6.709 465 HB3 LEU 55 1HB LEU 55 3.971 4.002 -7.542 466 HG LEU 55 HG LEU 55 1.406 2.433 -7.815 467 HD11 LEU 55 1HD1 LEU 55 1.992 5.125 -6.597 468 HD12 LEU 55 2HD1 LEU 55 1.604 3.649 -5.714 469 HD13 LEU 55 3HD1 LEU 55 0.399 4.390 -6.766 470 HD21 LEU 55 3HD2 LEU 55 2.023 3.468 -9.918 471 HD22 LEU 55 1HD2 LEU 55 2.262 5.015 -9.098 472 HD23 LEU 55 2HD2 LEU 55 0.650 4.300 -9.178 473 H LYS 56 H LYS 56 5.784 3.523 -10.030 474 HA LYS 56 HA LYS 56 8.095 1.970 -9.580 475 HB2 LYS 56 2HB LYS 56 7.572 3.381 -11.607 476 HB3 LYS 56 1HB LYS 56 7.844 4.804 -10.636 477 HG2 LYS 56 2HG LYS 56 9.956 2.734 -11.268 478 HG3 LYS 56 1HG LYS 56 9.707 4.211 -12.185 479 HD2 LYS 56 2HD LYS 56 10.230 5.511 -10.146 480 HD3 LYS 56 1HD LYS 56 10.524 3.997 -9.282 481 HE2 LYS 56 2HE LYS 56 12.033 5.015 -11.687 482 HE3 LYS 56 1HE LYS 56 12.618 4.981 -10.027 483 HZ1 LYS 56 3HZ LYS 56 11.990 2.610 -11.722 484 HZ2 LYS 56 1HZ LYS 56 12.456 2.533 -10.108 485 HZ3 LYS 56 2HZ LYS 56 13.503 3.151 -11.258 486 H TRP 57 H TRP 57 6.815 4.941 -8.145 487 HA TRP 57 HA TRP 57 9.202 5.520 -6.722 488 HB2 TRP 57 2HB TRP 57 7.968 7.233 -5.496 489 HB3 TRP 57 1HB TRP 57 7.548 7.303 -7.195 490 HD1 TRP 57 HD TRP 57 4.966 7.093 -7.770 491 HE1 TRP 57 1HE TRP 57 2.824 6.884 -6.318 492 HE3 TRP 57 3HE TRP 57 7.117 6.083 -3.271 493 HZ2 TRP 57 2HZ TRP 57 2.166 6.344 -3.592 494 HZ3 TRP 57 3HZ TRP 57 5.700 5.742 -1.328 495 HH2 TRP 57 HH TRP 57 3.256 5.852 -1.509 496 H ILE 58 H ILE 58 6.534 3.491 -6.061 497 HA ILE 58 HA ILE 58 6.733 3.181 -3.262 498 HB ILE 58 HB ILE 58 5.683 1.501 -5.514 499 HG12 ILE 58 2HG1 ILE 58 4.395 3.445 -4.678 500 HG13 ILE 58 1HG1 ILE 58 3.494 1.957 -4.514 501 HG21 ILE 58 1HG2 ILE 58 5.681 0.583 -2.649 502 HG22 ILE 58 2HG2 ILE 58 6.583 -0.124 -3.991 503 HG23 ILE 58 3HG2 ILE 58 4.822 -0.173 -3.999 504 HD11 ILE 58 3HD1 ILE 58 4.976 3.390 -2.362 505 HD12 ILE 58 1HD1 ILE 58 4.160 1.838 -2.179 506 HD13 ILE 58 2HD1 ILE 58 3.240 3.283 -2.574 507 H GLN 59 H GLN 59 8.032 1.288 -5.902 508 HA GLN 59 HA GLN 59 9.317 -0.496 -4.157 509 HB2 GLN 59 2HB GLN 59 10.128 -1.591 -6.141 510 HB3 GLN 59 1HB GLN 59 8.432 -1.182 -6.294 511 HG2 GLN 59 2HG GLN 59 9.272 0.882 -7.559 512 HG3 GLN 59 1HG GLN 59 10.789 -0.014 -7.680 513 HE21 GLN 59 1HE2 GLN 59 9.114 -2.560 -7.636 514 HE22 GLN 59 2HE2 GLN 59 8.543 -2.691 -9.237 515 H GLU 60 H GLU 60 10.255 2.410 -5.784 516 HA GLU 60 HA GLU 60 13.022 2.060 -5.351 517 HB2 GLU 60 2HB GLU 60 12.297 3.433 -7.197 518 HB3 GLU 60 1HB GLU 60 11.276 4.386 -6.162 519 HG2 GLU 60 2HG GLU 60 14.270 4.455 -5.953 520 HG3 GLU 60 1HG GLU 60 13.394 5.437 -7.120 521 H TYR 61 H TYR 61 10.506 2.979 -3.388 522 HA TYR 61 HA TYR 61 12.330 4.359 -1.577 523 HB2 TYR 61 2HB TYR 61 10.455 5.658 -2.276 524 HB3 TYR 61 1HB TYR 61 9.333 4.385 -1.833 525 HD1 TYR 61 2HD TYR 61 12.192 5.741 0.115 526 HD2 TYR 61 1HD TYR 61 7.994 5.410 -0.304 527 HE1 TYR 61 2HE TYR 61 11.919 6.834 2.284 528 HE2 TYR 61 1HE TYR 61 7.687 6.508 1.894 529 HH TYR 61 HH TYR 61 10.225 8.108 3.432 530 H LEU 62 H LEU 62 9.548 2.209 -1.400 531 HA LEU 62 HA LEU 62 10.314 1.398 1.244 532 HB2 LEU 62 2HB LEU 62 7.957 1.313 -0.369 533 HB3 LEU 62 1HB LEU 62 8.275 -0.264 0.304 534 HG LEU 62 HG LEU 62 6.726 1.128 1.687 535 HD11 LEU 62 1HD1 LEU 62 7.935 -0.698 2.710 536 HD12 LEU 62 2HD1 LEU 62 7.837 0.658 3.839 537 HD13 LEU 62 3HD1 LEU 62 9.336 0.337 2.958 538 HD21 LEU 62 3HD2 LEU 62 9.205 2.769 2.175 539 HD22 LEU 62 1HD2 LEU 62 7.664 2.948 3.012 540 HD23 LEU 62 2HD2 LEU 62 7.789 3.283 1.278 541 H GLU 63 H GLU 63 11.224 0.392 -1.783 542 HA GLU 63 HA GLU 63 11.784 -2.262 -0.674 543 HB2 GLU 63 2HB GLU 63 11.230 -1.507 -3.512 544 HB3 GLU 63 1HB GLU 63 12.195 -2.930 -3.165 545 HG2 GLU 63 2HG GLU 63 9.440 -2.470 -2.058 546 HG3 GLU 63 1HG GLU 63 9.775 -3.395 -3.523 547 H LYS 64 H LYS 64 13.168 0.530 -1.996 548 HA LYS 64 HA LYS 64 15.719 -0.825 -1.888 549 HB2 LYS 64 2HB LYS 64 15.231 0.424 -3.984 550 HB3 LYS 64 1HB LYS 64 15.080 1.904 -3.063 551 HG2 LYS 64 2HG LYS 64 17.644 0.303 -3.284 552 HG3 LYS 64 1HG LYS 64 17.228 1.653 -4.330 553 HD2 LYS 64 2HD LYS 64 17.259 3.166 -2.433 554 HD3 LYS 64 1HD LYS 64 17.500 1.822 -1.321 555 HE2 LYS 64 2HE LYS 64 19.412 2.777 -3.443 556 HE3 LYS 64 1HE LYS 64 19.579 2.999 -1.708 557 HZ1 LYS 64 3HZ LYS 64 20.933 1.162 -2.412 558 HZ2 LYS 64 1HZ LYS 64 19.638 0.390 -3.140 559 HZ3 LYS 64 2HZ LYS 64 19.676 0.550 -1.474 560 H ALA 65 H ALA 65 14.052 2.007 -0.548 561 HA ALA 65 HA ALA 65 16.476 2.616 0.866 562 HB1 ALA 65 1HB ALA 65 15.091 4.477 0.083 563 HB2 ALA 65 2HB ALA 65 15.253 4.548 1.843 564 HB3 ALA 65 3HB ALA 65 13.771 3.934 1.114 565 H LEU 66 H LEU 66 13.459 1.226 1.535 566 HA LEU 66 HA LEU 66 13.956 0.960 4.377 567 HB2 LEU 66 2HB LEU 66 11.716 0.402 2.566 568 HB3 LEU 66 1HB LEU 66 11.700 -0.413 4.091 569 HG LEU 66 HG LEU 66 10.301 1.585 4.240 570 HD11 LEU 66 1HD1 LEU 66 11.312 2.827 6.038 571 HD12 LEU 66 2HD1 LEU 66 12.885 2.135 5.661 572 HD13 LEU 66 3HD1 LEU 66 11.575 1.094 6.232 573 HD21 LEU 66 3HD2 LEU 66 11.135 3.844 3.812 574 HD22 LEU 66 1HD2 LEU 66 11.289 2.855 2.356 575 HD23 LEU 66 2HD2 LEU 66 12.700 3.187 3.352 576 H ASN 67 H ASN 67 14.908 -0.737 1.695 577 HA ASN 67 HA ASN 67 15.022 -3.192 3.244 578 HB2 ASN 67 2HB ASN 67 12.745 -2.981 2.281 579 HB3 ASN 67 1HB ASN 67 13.460 -2.970 0.702 580 HD21 ASN 67 1HD2 ASN 67 12.026 -4.659 0.383 581 HD22 ASN 67 2HD2 ASN 67 12.493 -6.293 0.760 582 H LYS 68 H LYS 68 16.773 -1.177 1.339 583 HA LYS 68 HA LYS 68 18.425 -3.379 0.424 584 HB2 LYS 68 2HB LYS 68 16.699 -2.555 -1.377 585 HB3 LYS 68 1HB LYS 68 17.699 -1.156 -1.397 586 HG2 LYS 68 2HG LYS 68 19.639 -2.307 -2.102 587 HG3 LYS 68 1HG LYS 68 18.830 -3.872 -1.953 588 HD2 LYS 68 2HD LYS 68 17.224 -3.190 -3.686 589 HD3 LYS 68 1HD LYS 68 18.080 -1.659 -3.855 590 HE2 LYS 68 2HE LYS 68 20.091 -2.860 -4.568 591 HE3 LYS 68 1HE LYS 68 19.246 -4.391 -4.360 592 HZ1 LYS 68 3HZ LYS 68 18.512 -2.247 -6.260 593 HZ2 LYS 68 1HZ LYS 68 17.662 -3.688 -6.032 594 HZ3 LYS 68 2HZ LYS 68 19.234 -3.719 -6.655 Start of MODEL 8 1 H1 LYS 1 1HT LYS 1 -23.570 -2.802 -6.374 2 H2 LYS 1 2HT LYS 1 -22.565 -3.081 -5.038 3 H3 LYS 1 3HT LYS 1 -24.146 -3.614 -5.017 4 HA LYS 1 HA LYS 1 -23.741 -5.176 -6.759 5 HB2 LYS 1 2HB LYS 1 -20.836 -4.263 -6.529 6 HB3 LYS 1 1HB LYS 1 -21.412 -5.638 -7.438 7 HG2 LYS 1 2HG LYS 1 -22.661 -4.138 -8.903 8 HG3 LYS 1 1HG LYS 1 -22.073 -2.762 -7.970 9 HD2 LYS 1 2HD LYS 1 -20.312 -4.748 -9.367 10 HD3 LYS 1 1HD LYS 1 -20.777 -3.185 -10.064 11 HE2 LYS 1 2HE LYS 1 -19.663 -2.080 -8.141 12 HE3 LYS 1 1HE LYS 1 -19.181 -3.658 -7.530 13 HZ1 LYS 1 2HZ LYS 1 -18.353 -2.470 -10.123 14 HZ2 LYS 1 3HZ LYS 1 -17.870 -3.996 -9.551 15 HZ3 LYS 1 1HZ LYS 1 -17.397 -2.613 -8.746 16 HA PRO 2 HA PRO 2 -22.804 -7.664 -3.205 17 HB2 PRO 2 2HB PRO 2 -23.059 -10.127 -4.286 18 HB3 PRO 2 1HB PRO 2 -24.460 -9.104 -3.950 19 HG2 PRO 2 2HG PRO 2 -23.097 -9.656 -6.542 20 HG3 PRO 2 1HG PRO 2 -24.819 -9.422 -6.204 21 HD2 PRO 2 2HD PRO 2 -23.140 -7.484 -7.260 22 HD3 PRO 2 1HD PRO 2 -24.667 -7.161 -6.414 23 H VAL 3 H VAL 3 -20.648 -7.058 -2.977 24 HA VAL 3 HA VAL 3 -18.605 -8.338 -4.536 25 HB VAL 3 HB VAL 3 -18.305 -6.728 -1.974 26 HG11 VAL 3 1HG1 VAL 3 -16.300 -7.395 -4.125 27 HG12 VAL 3 2HG1 VAL 3 -16.345 -8.078 -2.504 28 HG13 VAL 3 3HG1 VAL 3 -16.001 -6.361 -2.730 29 HG21 VAL 3 3HG2 VAL 3 -17.781 -4.803 -3.424 30 HG22 VAL 3 1HG2 VAL 3 -19.428 -5.384 -3.671 31 HG23 VAL 3 2HG2 VAL 3 -18.170 -5.780 -4.840 32 H SER 4 H SER 4 -18.249 -10.390 -4.212 33 HA SER 4 HA SER 4 -19.114 -11.698 -1.849 34 HB2 SER 4 2HB SER 4 -18.281 -13.723 -3.057 35 HB3 SER 4 1HB SER 4 -19.495 -12.780 -3.929 36 HG SER 4 HG SER 4 -17.483 -13.511 -5.052 37 H LEU 5 H LEU 5 -17.881 -12.826 -0.378 38 HA LEU 5 HA LEU 5 -15.225 -11.870 -0.012 39 HB2 LEU 5 2HB LEU 5 -16.869 -13.820 1.627 40 HB3 LEU 5 1HB LEU 5 -15.214 -13.414 2.001 41 HG LEU 5 HG LEU 5 -15.895 -11.067 2.363 42 HD11 LEU 5 1HD1 LEU 5 -18.248 -10.498 2.654 43 HD12 LEU 5 2HD1 LEU 5 -18.704 -12.112 2.117 44 HD13 LEU 5 3HD1 LEU 5 -17.922 -11.001 0.991 45 HD21 LEU 5 3HD2 LEU 5 -17.331 -13.123 4.013 46 HD22 LEU 5 1HD2 LEU 5 -16.999 -11.460 4.503 47 HD23 LEU 5 2HD2 LEU 5 -15.665 -12.577 4.215 48 H SER 6 H SER 6 -14.500 -12.601 -1.885 49 HA SER 6 HA SER 6 -13.377 -15.288 -1.735 50 HB2 SER 6 2HB SER 6 -14.499 -13.999 -4.236 51 HB3 SER 6 1HB SER 6 -13.694 -15.570 -4.156 52 HG SER 6 HG SER 6 -15.712 -15.307 -2.358 53 H TYR 7 H TYR 7 -11.349 -14.589 -1.159 54 HA TYR 7 HA TYR 7 -9.756 -13.309 -3.119 55 HB2 TYR 7 2HB TYR 7 -9.178 -11.289 -1.824 56 HB3 TYR 7 1HB TYR 7 -10.891 -11.320 -2.224 57 HD1 TYR 7 2HD TYR 7 -8.507 -12.063 0.466 58 HD2 TYR 7 1HD TYR 7 -12.473 -11.023 -0.547 59 HE1 TYR 7 2HE TYR 7 -9.013 -11.680 2.886 60 HE2 TYR 7 1HE TYR 7 -13.017 -10.637 1.828 61 HH TYR 7 HH TYR 7 -12.225 -11.279 3.995 62 H ARG 8 H ARG 8 -7.641 -12.610 -1.838 63 HA ARG 8 HA ARG 8 -7.029 -14.572 0.246 64 HB2 ARG 8 2HB ARG 8 -5.069 -15.297 -0.968 65 HB3 ARG 8 1HB ARG 8 -6.534 -15.640 -1.887 66 HG2 ARG 8 2HG ARG 8 -6.100 -13.469 -3.100 67 HG3 ARG 8 1HG ARG 8 -4.508 -13.481 -2.344 68 HD2 ARG 8 2HD ARG 8 -5.722 -15.598 -3.970 69 HD3 ARG 8 1HD ARG 8 -4.545 -14.423 -4.585 70 HE ARG 8 HE ARG 8 -3.248 -15.610 -2.504 71 HH11 ARG 8 1HH1 ARG 8 -4.902 -16.908 -5.347 72 HH12 ARG 8 2HH1 ARG 8 -3.935 -18.305 -5.465 73 HH21 ARG 8 1HH2 ARG 8 -1.849 -17.523 -2.689 74 HH22 ARG 8 2HH2 ARG 8 -2.147 -18.656 -3.904 75 H CYS 9 H CYS 9 -7.108 -11.503 -0.586 76 HA CYS 9 HA CYS 9 -4.544 -10.830 0.697 77 HB2 CYS 9 2HB CYS 9 -5.840 -9.346 -1.592 78 HB3 CYS 9 1HB CYS 9 -4.288 -8.998 -0.846 79 HA PRO 10 HA PRO 10 -7.177 -8.260 3.349 80 HB2 PRO 10 2HB PRO 10 -4.690 -6.629 3.485 81 HB3 PRO 10 1HB PRO 10 -5.669 -7.299 4.793 82 HG2 PRO 10 2HG PRO 10 -3.295 -8.339 4.157 83 HG3 PRO 10 1HG PRO 10 -4.646 -9.339 4.718 84 HD2 PRO 10 2HD PRO 10 -3.537 -9.014 1.976 85 HD3 PRO 10 1HD PRO 10 -4.278 -10.435 2.742 86 H CYS 11 H CYS 11 -4.909 -7.031 0.978 87 HA CYS 11 HA CYS 11 -6.784 -4.898 0.322 88 HB2 CYS 11 2HB CYS 11 -3.848 -5.128 -0.359 89 HB3 CYS 11 1HB CYS 11 -4.918 -3.848 -0.899 90 H ARG 12 H ARG 12 -8.165 -5.927 -0.937 91 HA ARG 12 HA ARG 12 -7.158 -7.336 -3.260 92 HB2 ARG 12 2HB ARG 12 -9.017 -8.394 -2.172 93 HB3 ARG 12 1HB ARG 12 -9.929 -6.894 -2.172 94 HG2 ARG 12 2HG ARG 12 -10.264 -7.024 -4.542 95 HG3 ARG 12 1HG ARG 12 -9.177 -8.410 -4.665 96 HD2 ARG 12 2HD ARG 12 -11.635 -8.949 -4.696 97 HD3 ARG 12 1HD ARG 12 -10.682 -9.811 -3.488 98 HE ARG 12 HE ARG 12 -11.619 -7.575 -2.211 99 HH11 ARG 12 1HH1 ARG 12 -13.240 -10.224 -3.921 100 HH12 ARG 12 2HH1 ARG 12 -14.579 -10.264 -2.870 101 HH21 ARG 12 1HH2 ARG 12 -13.396 -7.631 -0.789 102 HH22 ARG 12 2HH2 ARG 12 -14.670 -8.741 -1.020 103 H PHE 13 H PHE 13 -8.437 -4.327 -2.296 104 HA PHE 13 HA PHE 13 -8.452 -3.427 -5.081 105 HB2 PHE 13 2HB PHE 13 -9.646 -2.078 -2.652 106 HB3 PHE 13 1HB PHE 13 -9.750 -1.500 -4.302 107 HD1 PHE 13 2HD PHE 13 -11.113 -2.716 -5.975 108 HD2 PHE 13 1HD PHE 13 -11.140 -3.790 -1.857 109 HE1 PHE 13 2HE PHE 13 -13.188 -3.987 -6.325 110 HE2 PHE 13 1HE PHE 13 -13.218 -5.066 -2.199 111 HZ PHE 13 HZ PHE 13 -14.244 -5.170 -4.431 112 H PHE 14 H PHE 14 -7.070 -1.903 -5.678 113 HA PHE 14 HA PHE 14 -5.196 -0.876 -3.673 114 HB2 PHE 14 2HB PHE 14 -4.581 -1.939 -6.411 115 HB3 PHE 14 1HB PHE 14 -3.462 -0.983 -5.452 116 HD1 PHE 14 2HD PHE 14 -2.870 -1.843 -3.180 117 HD2 PHE 14 1HD PHE 14 -4.671 -4.249 -6.161 118 HE1 PHE 14 2HE PHE 14 -2.012 -3.793 -2.073 119 HE2 PHE 14 1HE PHE 14 -3.830 -6.270 -5.049 120 HZ PHE 14 HZ PHE 14 -2.488 -6.065 -2.987 121 H GLU 15 H GLU 15 -4.393 1.166 -4.016 122 HA GLU 15 HA GLU 15 -5.599 2.687 -6.190 123 HB2 GLU 15 2HB GLU 15 -6.305 3.376 -3.889 124 HB3 GLU 15 1HB GLU 15 -4.630 3.666 -3.500 125 HG2 GLU 15 2HG GLU 15 -5.871 5.723 -4.076 126 HG3 GLU 15 1HG GLU 15 -4.462 5.433 -5.096 127 H SER 16 H SER 16 -4.229 3.544 -7.611 128 HA SER 16 HA SER 16 -1.376 3.315 -7.035 129 HB2 SER 16 2HB SER 16 -1.155 3.340 -9.525 130 HB3 SER 16 1HB SER 16 -2.073 1.967 -8.894 131 HG SER 16 HG SER 16 -3.389 2.643 -10.392 132 H HIS 17 H HIS 17 -3.786 5.575 -7.098 133 HA HIS 17 HA HIS 17 -2.235 7.655 -8.426 134 HB2 HIS 17 2HB HIS 17 -5.035 7.698 -7.283 135 HB3 HIS 17 1HB HIS 17 -4.255 9.098 -7.997 136 HD1 HIS 17 1HD HIS 17 -4.995 9.454 -10.337 137 HD2 HIS 17 2HD HIS 17 -4.891 5.463 -9.286 138 HE1 HIS 17 1HE HIS 17 -5.766 8.227 -12.365 139 HE2 HIS 17 2HE HIS 17 -5.379 5.810 -11.794 140 H VAL 18 H VAL 18 -1.639 6.437 -5.710 141 HA VAL 18 HA VAL 18 -1.916 8.613 -3.872 142 HB VAL 18 HB VAL 18 -0.287 6.074 -3.636 143 HG11 VAL 18 1HG1 VAL 18 0.396 7.800 -2.079 144 HG12 VAL 18 2HG1 VAL 18 -0.411 6.475 -1.247 145 HG13 VAL 18 3HG1 VAL 18 -1.273 7.987 -1.539 146 HG21 VAL 18 3HG2 VAL 18 -3.103 6.647 -2.719 147 HG22 VAL 18 1HG2 VAL 18 -2.179 5.195 -2.337 148 HG23 VAL 18 2HG2 VAL 18 -2.627 5.539 -4.007 149 H ALA 19 H ALA 19 -0.429 10.139 -3.398 150 HA ALA 19 HA ALA 19 2.123 10.122 -4.847 151 HB1 ALA 19 1HB ALA 19 0.653 12.041 -5.270 152 HB2 ALA 19 2HB ALA 19 2.127 12.534 -4.425 153 HB3 ALA 19 3HB ALA 19 0.623 12.360 -3.528 154 H ARG 20 H ARG 20 3.954 9.994 -3.717 155 HA ARG 20 HA ARG 20 4.070 9.140 -1.084 156 HB2 ARG 20 2HB ARG 20 5.832 8.693 -2.635 157 HB3 ARG 20 1HB ARG 20 6.206 10.389 -2.811 158 HG2 ARG 20 2HG ARG 20 6.924 10.413 -0.415 159 HG3 ARG 20 1HG ARG 20 6.607 8.685 -0.369 160 HD2 ARG 20 2HD ARG 20 8.239 8.257 -2.045 161 HD3 ARG 20 1HD ARG 20 8.476 9.985 -2.325 162 HE ARG 20 HE ARG 20 9.028 9.557 0.315 163 HH11 ARG 20 1HH1 ARG 20 10.276 8.300 -2.757 164 HH12 ARG 20 2HH1 ARG 20 11.873 8.124 -2.216 165 HH21 ARG 20 1HH2 ARG 20 11.260 9.313 1.076 166 HH22 ARG 20 2HH2 ARG 20 12.434 8.686 0.008 167 H ALA 21 H ALA 21 4.288 12.389 -2.372 168 HA ALA 21 HA ALA 21 5.264 13.733 -0.117 169 HB1 ALA 21 1HB ALA 21 4.398 15.754 -1.160 170 HB2 ALA 21 2HB ALA 21 3.421 14.780 -2.259 171 HB3 ALA 21 3HB ALA 21 5.182 14.718 -2.357 172 H ASN 22 H ASN 22 2.084 12.538 -0.864 173 HA ASN 22 HA ASN 22 0.945 13.992 1.415 174 HB2 ASN 22 2HB ASN 22 -0.261 14.164 -0.765 175 HB3 ASN 22 1HB ASN 22 -0.445 12.423 -0.775 176 HD21 ASN 22 1HD2 ASN 22 -2.657 12.671 -0.931 177 HD22 ASN 22 2HD2 ASN 22 -3.663 13.108 0.410 178 H VAL 23 H VAL 23 2.425 11.169 0.769 179 HA VAL 23 HA VAL 23 0.817 9.471 2.488 180 HB VAL 23 HB VAL 23 3.571 8.963 1.293 181 HG11 VAL 23 1HG1 VAL 23 3.174 6.634 1.883 182 HG12 VAL 23 2HG1 VAL 23 1.666 7.081 2.677 183 HG13 VAL 23 3HG1 VAL 23 3.204 7.656 3.324 184 HG21 VAL 23 3HG2 VAL 23 1.828 9.146 -0.384 185 HG22 VAL 23 1HG2 VAL 23 0.853 7.970 0.494 186 HG23 VAL 23 2HG2 VAL 23 2.383 7.479 -0.229 187 H LYS 24 H LYS 24 0.870 9.684 4.588 188 HA LYS 24 HA LYS 24 2.775 11.235 6.025 189 HB2 LYS 24 2HB LYS 24 0.337 10.818 6.821 190 HB3 LYS 24 1HB LYS 24 0.902 9.175 7.112 191 HG2 LYS 24 2HG LYS 24 2.067 9.872 8.821 192 HG3 LYS 24 1HG LYS 24 2.140 11.547 8.242 193 HD2 LYS 24 2HD LYS 24 -0.257 11.726 8.408 194 HD3 LYS 24 1HD LYS 24 -0.330 10.064 9.008 195 HE2 LYS 24 2HE LYS 24 -0.534 11.597 10.573 196 HE3 LYS 24 1HE LYS 24 0.992 10.625 10.740 197 HZ1 LYS 24 3HZ LYS 24 0.761 13.486 9.826 198 HZ2 LYS 24 1HZ LYS 24 2.186 12.604 9.869 199 HZ3 LYS 24 2HZ LYS 24 1.406 13.008 11.309 200 H ARG 25 H ARG 25 2.049 7.856 5.816 201 HA ARG 25 HA ARG 25 4.810 7.036 6.145 202 HB2 ARG 25 2HB ARG 25 3.908 7.357 8.474 203 HB3 ARG 25 1HB ARG 25 2.675 6.167 8.104 204 HG2 ARG 25 2HG ARG 25 4.473 4.500 7.728 205 HG3 ARG 25 1HG ARG 25 5.643 5.721 8.253 206 HD2 ARG 25 2HD ARG 25 5.122 4.333 10.131 207 HD3 ARG 25 1HD ARG 25 4.398 5.918 10.380 208 HE ARG 25 HE ARG 25 2.699 3.901 9.177 209 HH11 ARG 25 1HH1 ARG 25 3.509 5.751 12.097 210 HH12 ARG 25 2HH1 ARG 25 2.188 5.140 12.979 211 HH21 ARG 25 1HH2 ARG 25 0.888 3.101 10.419 212 HH22 ARG 25 2HH2 ARG 25 0.687 3.619 12.028 213 H LEU 26 H LEU 26 4.998 4.809 5.342 214 HA LEU 26 HA LEU 26 2.525 3.452 4.778 215 HB2 LEU 26 2HB LEU 26 2.864 3.097 2.485 216 HB3 LEU 26 1HB LEU 26 2.979 4.811 2.756 217 HG LEU 26 HG LEU 26 5.334 2.975 2.313 218 HD11 LEU 26 1HD1 LEU 26 5.336 3.963 0.079 219 HD12 LEU 26 2HD1 LEU 26 3.846 4.815 0.501 220 HD13 LEU 26 3HD1 LEU 26 3.864 3.052 0.446 221 HD21 LEU 26 3HD2 LEU 26 5.177 5.982 2.131 222 HD22 LEU 26 1HD2 LEU 26 6.583 4.959 1.862 223 HD23 LEU 26 2HD2 LEU 26 5.916 5.095 3.495 224 H LYS 27 H LYS 27 2.889 1.228 4.033 225 HA LYS 27 HA LYS 27 5.522 0.177 4.709 226 HB2 LYS 27 2HB LYS 27 4.223 0.200 6.762 227 HB3 LYS 27 1HB LYS 27 2.950 -0.769 5.986 228 HG2 LYS 27 2HG LYS 27 4.211 -2.259 7.301 229 HG3 LYS 27 1HG LYS 27 4.794 -2.497 5.650 230 HD2 LYS 27 2HD LYS 27 6.776 -2.336 6.984 231 HD3 LYS 27 1HD LYS 27 6.507 -0.784 6.164 232 HE2 LYS 27 2HE LYS 27 7.180 -0.506 8.523 233 HE3 LYS 27 1HE LYS 27 5.631 0.230 8.138 234 HZ1 LYS 27 3HZ LYS 27 4.538 -1.737 9.121 235 HZ2 LYS 27 1HZ LYS 27 5.531 -0.937 10.228 236 HZ3 LYS 27 2HZ LYS 27 6.037 -2.382 9.504 237 H ILE 28 H ILE 28 5.965 -1.673 3.578 238 HA ILE 28 HA ILE 28 3.890 -2.754 1.831 239 HB ILE 28 HB ILE 28 6.915 -2.960 1.689 240 HG12 ILE 28 2HG1 ILE 28 4.867 -1.733 -0.164 241 HG13 ILE 28 1HG1 ILE 28 6.089 -0.900 0.778 242 HG21 ILE 28 1HG2 ILE 28 4.936 -4.390 -0.072 243 HG22 ILE 28 2HG2 ILE 28 6.017 -5.135 1.112 244 HG23 ILE 28 3HG2 ILE 28 6.687 -4.330 -0.305 245 HD11 ILE 28 3HD1 ILE 28 6.709 -1.000 -1.562 246 HD12 ILE 28 1HD1 ILE 28 6.597 -2.759 -1.537 247 HD13 ILE 28 2HD1 ILE 28 7.837 -1.941 -0.588 248 H LEU 29 H LEU 29 2.922 -4.453 2.586 249 HA LEU 29 HA LEU 29 4.313 -6.124 4.529 250 HB2 LEU 29 2HB LEU 29 2.142 -5.134 5.177 251 HB3 LEU 29 1HB LEU 29 1.399 -5.978 3.831 252 HG LEU 29 HG LEU 29 1.963 -8.133 4.869 253 HD11 LEU 29 1HD1 LEU 29 2.715 -8.198 7.193 254 HD12 LEU 29 2HD1 LEU 29 2.944 -6.450 7.166 255 HD13 LEU 29 3HD1 LEU 29 3.920 -7.488 6.128 256 HD21 LEU 29 3HD2 LEU 29 0.419 -6.247 6.640 257 HD22 LEU 29 1HD2 LEU 29 0.325 -8.006 6.680 258 HD23 LEU 29 2HD2 LEU 29 -0.218 -7.124 5.250 259 H ASN 30 H ASN 30 5.230 -7.825 3.728 260 HA ASN 30 HA ASN 30 4.325 -9.117 1.297 261 HB2 ASN 30 2HB ASN 30 6.741 -9.353 3.058 262 HB3 ASN 30 1HB ASN 30 6.311 -10.712 2.041 263 HD21 ASN 30 1HD2 ASN 30 7.269 -7.273 1.991 264 HD22 ASN 30 2HD2 ASN 30 7.898 -7.314 0.412 265 H THR 31 H THR 31 2.520 -10.304 1.607 266 HA THR 31 HA THR 31 2.460 -12.026 3.955 267 HB THR 31 HB THR 31 0.050 -12.385 3.380 268 HG1 THR 31 1HG THR 31 -0.826 -10.729 1.983 269 HG21 THR 31 3HG2 THR 31 0.871 -9.511 3.797 270 HG22 THR 31 1HG2 THR 31 0.649 -10.713 5.073 271 HG23 THR 31 2HG2 THR 31 -0.728 -10.147 4.105 272 HA PRO 32 HA PRO 32 3.418 -15.498 1.304 273 HB2 PRO 32 2HB PRO 32 1.998 -17.135 3.314 274 HB3 PRO 32 1HB PRO 32 3.682 -17.230 2.794 275 HG2 PRO 32 2HG PRO 32 2.982 -16.273 5.209 276 HG3 PRO 32 1HG PRO 32 4.377 -15.636 4.315 277 HD2 PRO 32 2HD PRO 32 1.654 -14.479 4.694 278 HD3 PRO 32 1HD PRO 32 3.239 -13.679 4.624 279 H ASN 33 H ASN 33 0.294 -15.083 2.758 280 HA ASN 33 HA ASN 33 -1.156 -16.850 1.069 281 HB2 ASN 33 2HB ASN 33 -3.170 -15.696 2.017 282 HB3 ASN 33 1HB ASN 33 -2.061 -16.340 3.226 283 HD21 ASN 33 1HD2 ASN 33 -3.362 -13.452 1.765 284 HD22 ASN 33 2HD2 ASN 33 -2.715 -12.392 2.979 285 H CYS 34 H CYS 34 -0.383 -13.417 0.808 286 HA CYS 34 HA CYS 34 -1.899 -13.415 -1.714 287 HB2 CYS 34 2HB CYS 34 -2.610 -11.628 0.021 288 HB3 CYS 34 1HB CYS 34 -1.014 -11.044 -0.120 289 H ALA 35 H ALA 35 0.570 -11.149 -0.656 290 HA ALA 35 HA ALA 35 2.811 -11.868 -1.930 291 HB1 ALA 35 1HB ALA 35 1.066 -10.179 -3.771 292 HB2 ALA 35 2HB ALA 35 1.598 -11.828 -4.093 293 HB3 ALA 35 3HB ALA 35 2.779 -10.523 -4.019 294 H LEU 36 H LEU 36 1.078 -8.795 -2.511 295 HA LEU 36 HA LEU 36 2.584 -7.587 -0.315 296 HB2 LEU 36 2HB LEU 36 2.468 -6.476 -3.112 297 HB3 LEU 36 1HB LEU 36 3.047 -5.595 -1.721 298 HG LEU 36 HG LEU 36 4.315 -8.026 -2.977 299 HD11 LEU 36 1HD1 LEU 36 5.233 -5.202 -2.626 300 HD12 LEU 36 2HD1 LEU 36 4.702 -5.905 -4.167 301 HD13 LEU 36 3HD1 LEU 36 6.167 -6.503 -3.342 302 HD21 LEU 36 3HD2 LEU 36 4.528 -8.158 -0.606 303 HD22 LEU 36 1HD2 LEU 36 5.075 -6.478 -0.529 304 HD23 LEU 36 2HD2 LEU 36 6.069 -7.704 -1.316 305 H GLN 37 H GLN 37 1.544 -6.225 0.846 306 HA GLN 37 HA GLN 37 -0.835 -4.859 -0.200 307 HB2 GLN 37 2HB GLN 37 -0.372 -5.937 2.604 308 HB3 GLN 37 1HB GLN 37 -1.566 -4.715 2.249 309 HG2 GLN 37 2HG GLN 37 -2.635 -6.848 2.462 310 HG3 GLN 37 1HG GLN 37 -2.737 -6.323 0.792 311 HE21 GLN 37 1HE2 GLN 37 0.096 -7.743 2.240 312 HE22 GLN 37 2HE2 GLN 37 0.058 -9.203 1.349 313 H ILE 38 H ILE 38 -0.594 -2.708 -0.123 314 HA ILE 38 HA ILE 38 1.537 -1.659 1.603 315 HB ILE 38 HB ILE 38 0.622 -0.475 -1.023 316 HG12 ILE 38 2HG1 ILE 38 3.030 -2.242 -0.530 317 HG13 ILE 38 1HG1 ILE 38 1.598 -2.682 -1.439 318 HG21 ILE 38 1HG2 ILE 38 3.105 -0.047 0.681 319 HG22 ILE 38 2HG2 ILE 38 1.738 1.053 0.576 320 HG23 ILE 38 3HG2 ILE 38 2.757 0.778 -0.840 321 HD11 ILE 38 3HD1 ILE 38 3.465 -0.456 -2.164 322 HD12 ILE 38 1HD1 ILE 38 2.077 -0.995 -3.103 323 HD13 ILE 38 2HD1 ILE 38 3.472 -2.062 -2.884 324 H VAL 39 H VAL 39 0.990 0.371 2.590 325 HA VAL 39 HA VAL 39 -1.826 1.121 2.303 326 HB VAL 39 HB VAL 39 -1.968 1.544 4.781 327 HG11 VAL 39 1HG1 VAL 39 -2.936 -0.483 3.829 328 HG12 VAL 39 2HG1 VAL 39 -2.264 -0.812 5.427 329 HG13 VAL 39 3HG1 VAL 39 -1.387 -1.311 3.982 330 HG21 VAL 39 3HG2 VAL 39 -0.336 0.456 6.271 331 HG22 VAL 39 1HG2 VAL 39 0.438 1.687 5.271 332 HG23 VAL 39 2HG2 VAL 39 0.623 -0.019 4.869 333 H ALA 40 H ALA 40 -2.255 3.242 2.224 334 HA ALA 40 HA ALA 40 0.004 5.100 2.677 335 HB1 ALA 40 1HB ALA 40 -2.185 5.399 0.646 336 HB2 ALA 40 2HB ALA 40 -0.579 4.846 0.247 337 HB3 ALA 40 3HB ALA 40 -0.825 6.474 0.880 338 H ARG 41 H ARG 41 -0.561 6.032 4.580 339 HA ARG 41 HA ARG 41 -3.281 7.026 4.709 340 HB2 ARG 41 2HB ARG 41 -2.528 5.911 6.761 341 HB3 ARG 41 1HB ARG 41 -1.162 7.025 6.830 342 HG2 ARG 41 2HG ARG 41 -2.434 8.775 7.490 343 HG3 ARG 41 1HG ARG 41 -3.922 8.110 6.821 344 HD2 ARG 41 2HD ARG 41 -3.938 8.026 9.280 345 HD3 ARG 41 1HD ARG 41 -3.996 6.430 8.551 346 HE ARG 41 HE ARG 41 -1.345 7.295 9.283 347 HH11 ARG 41 1HH1 ARG 41 -4.292 5.658 10.361 348 HH12 ARG 41 2HH1 ARG 41 -3.534 4.778 11.596 349 HH21 ARG 41 1HH2 ARG 41 -0.296 6.105 10.981 350 HH22 ARG 41 2HH2 ARG 41 -1.194 5.043 11.975 351 H LEU 42 H LEU 42 -3.766 8.791 4.169 352 HA LEU 42 HA LEU 42 -1.910 10.604 3.003 353 HB2 LEU 42 2HB LEU 42 -4.773 10.931 3.666 354 HB3 LEU 42 1HB LEU 42 -3.990 12.061 2.637 355 HG LEU 42 HG LEU 42 -5.036 9.371 2.183 356 HD11 LEU 42 1HD1 LEU 42 -5.670 10.216 -0.023 357 HD12 LEU 42 2HD1 LEU 42 -4.929 11.754 0.398 358 HD13 LEU 42 3HD1 LEU 42 -6.306 11.149 1.323 359 HD21 LEU 42 3HD2 LEU 42 -2.641 10.295 0.575 360 HD22 LEU 42 1HD2 LEU 42 -3.662 8.920 0.151 361 HD23 LEU 42 2HD2 LEU 42 -2.711 8.889 1.636 362 H LYS 43 H LYS 43 -1.111 12.449 3.728 363 HA LYS 43 HA LYS 43 -1.141 13.025 6.499 364 HB2 LYS 43 2HB LYS 43 -0.234 14.821 4.208 365 HB3 LYS 43 1HB LYS 43 0.190 15.012 5.901 366 HG2 LYS 43 2HG LYS 43 1.363 12.998 5.922 367 HG3 LYS 43 1HG LYS 43 0.931 12.693 4.238 368 HD2 LYS 43 2HD LYS 43 2.114 14.614 3.504 369 HD3 LYS 43 1HD LYS 43 2.389 15.149 5.170 370 HE2 LYS 43 2HE LYS 43 3.576 13.309 5.635 371 HE3 LYS 43 1HE LYS 43 3.382 12.554 4.041 372 HZ1 LYS 43 3HZ LYS 43 4.901 15.042 4.721 373 HZ2 LYS 43 1HZ LYS 43 4.542 14.573 3.138 374 HZ3 LYS 43 2HZ LYS 43 5.534 13.610 4.097 375 H ASN 44 H ASN 44 -2.737 14.363 3.683 376 HA ASN 44 HA ASN 44 -4.073 16.424 5.194 377 HB2 ASN 44 2HB ASN 44 -4.273 15.607 2.303 378 HB3 ASN 44 1HB ASN 44 -5.216 16.922 2.995 379 HD21 ASN 44 1HD2 ASN 44 -4.179 18.841 3.497 380 HD22 ASN 44 2HD2 ASN 44 -2.575 19.195 2.980 381 H ASN 45 H ASN 45 -5.024 13.348 3.731 382 HA ASN 45 HA ASN 45 -7.789 13.798 4.517 383 HB2 ASN 45 2HB ASN 45 -7.266 12.690 2.348 384 HB3 ASN 45 1HB ASN 45 -6.623 11.327 3.258 385 HD21 ASN 45 1HD2 ASN 45 -8.105 9.919 2.300 386 HD22 ASN 45 2HD2 ASN 45 -9.766 9.931 2.719 387 H ASN 46 H ASN 46 -5.005 12.140 5.695 388 HA ASN 46 HA ASN 46 -4.502 10.962 7.509 389 HB2 ASN 46 2HB ASN 46 -5.689 12.800 8.709 390 HB3 ASN 46 1HB ASN 46 -7.188 11.900 8.593 391 HD21 ASN 46 1HD2 ASN 46 -7.464 11.770 10.794 392 HD22 ASN 46 2HD2 ASN 46 -6.473 10.808 11.827 393 H ARG 47 H ARG 47 -6.402 9.963 5.320 394 HA ARG 47 HA ARG 47 -7.226 7.545 6.755 395 HB2 ARG 47 2HB ARG 47 -8.322 8.592 4.152 396 HB3 ARG 47 1HB ARG 47 -8.774 7.064 4.884 397 HG2 ARG 47 2HG ARG 47 -9.634 8.252 6.837 398 HG3 ARG 47 1HG ARG 47 -9.217 9.789 6.074 399 HD2 ARG 47 2HD ARG 47 -10.681 9.211 4.196 400 HD3 ARG 47 1HD ARG 47 -11.155 7.738 5.029 401 HE ARG 47 HE ARG 47 -11.719 9.576 6.868 402 HH11 ARG 47 1HH1 ARG 47 -12.572 9.387 3.450 403 HH12 ARG 47 2HH1 ARG 47 -13.991 10.308 3.592 404 HH21 ARG 47 1HH2 ARG 47 -13.659 10.832 7.069 405 HH22 ARG 47 2HH2 ARG 47 -14.633 11.161 5.692 406 H GLN 48 H GLN 48 -6.863 5.525 5.769 407 HA GLN 48 HA GLN 48 -4.484 5.662 4.052 408 HB2 GLN 48 2HB GLN 48 -3.653 3.742 5.052 409 HB3 GLN 48 1HB GLN 48 -4.391 4.583 6.401 410 HG2 GLN 48 2HG GLN 48 -6.476 3.018 5.802 411 HG3 GLN 48 1HG GLN 48 -5.271 2.205 4.918 412 HE21 GLN 48 1HE2 GLN 48 -3.739 0.969 5.795 413 HE22 GLN 48 2HE2 GLN 48 -3.666 0.595 7.471 414 H VAL 49 H VAL 49 -4.350 4.508 2.257 415 HA VAL 49 HA VAL 49 -6.533 2.687 1.581 416 HB VAL 49 HB VAL 49 -6.414 3.434 -0.807 417 HG11 VAL 49 1HG1 VAL 49 -7.737 5.483 -0.545 418 HG12 VAL 49 2HG1 VAL 49 -7.237 5.579 1.145 419 HG13 VAL 49 3HG1 VAL 49 -8.225 4.228 0.595 420 HG21 VAL 49 3HG2 VAL 49 -4.809 5.747 0.303 421 HG22 VAL 49 1HG2 VAL 49 -5.435 5.633 -1.339 422 HG23 VAL 49 2HG2 VAL 49 -4.209 4.491 -0.781 423 H CYS 50 H CYS 50 -5.940 0.916 0.595 424 HA CYS 50 HA CYS 50 -3.298 -0.028 0.652 425 HB2 CYS 50 2HB CYS 50 -5.616 -0.944 -1.041 426 HB3 CYS 50 1HB CYS 50 -4.176 -1.873 -0.870 427 H ILE 51 H ILE 51 -1.592 0.376 -0.622 428 HA ILE 51 HA ILE 51 -2.046 1.916 -3.077 429 HB ILE 51 HB ILE 51 0.690 1.184 -2.006 430 HG12 ILE 51 2HG1 ILE 51 -0.911 3.648 -1.338 431 HG13 ILE 51 1HG1 ILE 51 -0.544 2.350 -0.198 432 HG21 ILE 51 1HG2 ILE 51 -0.357 3.383 -3.751 433 HG22 ILE 51 2HG2 ILE 51 0.608 2.004 -4.263 434 HG23 ILE 51 3HG2 ILE 51 1.322 3.249 -3.222 435 HD11 ILE 51 3HD1 ILE 51 1.089 4.097 0.229 436 HD12 ILE 51 1HD1 ILE 51 1.404 4.237 -1.510 437 HD13 ILE 51 2HD1 ILE 51 1.875 2.802 -0.638 438 H ASP 52 H ASP 52 -1.501 1.222 -5.031 439 HA ASP 52 HA ASP 52 -1.284 -1.572 -5.551 440 HB2 ASP 52 2HB ASP 52 -2.472 -0.064 -7.078 441 HB3 ASP 52 1HB ASP 52 -0.997 0.852 -7.329 442 HA PRO 53 HA PRO 53 3.149 -1.613 -5.073 443 HB2 PRO 53 2HB PRO 53 3.622 -4.165 -5.829 444 HB3 PRO 53 1HB PRO 53 2.912 -3.737 -4.270 445 HG2 PRO 53 2HG PRO 53 1.598 -4.741 -6.741 446 HG3 PRO 53 1HG PRO 53 1.248 -5.122 -5.053 447 HD2 PRO 53 2HD PRO 53 -0.237 -3.346 -6.541 448 HD3 PRO 53 1HD PRO 53 -0.098 -3.281 -4.775 449 H LYS 54 H LYS 54 1.700 -1.429 -8.084 450 HA LYS 54 HA LYS 54 4.117 -2.073 -9.556 451 HB2 LYS 54 2HB LYS 54 1.518 -0.905 -10.538 452 HB3 LYS 54 1HB LYS 54 2.856 -1.406 -11.561 453 HG2 LYS 54 2HG LYS 54 2.528 -3.724 -10.796 454 HG3 LYS 54 1HG LYS 54 1.154 -3.178 -9.822 455 HD2 LYS 54 2HD LYS 54 0.051 -2.364 -11.866 456 HD3 LYS 54 1HD LYS 54 1.408 -2.951 -12.819 457 HE2 LYS 54 2HE LYS 54 0.948 -5.233 -12.056 458 HE3 LYS 54 1HE LYS 54 -0.431 -4.646 -11.128 459 HZ1 LYS 54 3HZ LYS 54 -0.135 -4.455 -14.075 460 HZ2 LYS 54 1HZ LYS 54 -1.479 -3.944 -13.198 461 HZ3 LYS 54 2HZ LYS 54 -1.089 -5.576 -13.276 462 H LEU 55 H LEU 55 2.977 0.520 -7.818 463 HA LEU 55 HA LEU 55 3.877 2.652 -9.442 464 HB2 LEU 55 2HB LEU 55 3.608 2.523 -6.453 465 HB3 LEU 55 1HB LEU 55 3.981 3.983 -7.343 466 HG LEU 55 HG LEU 55 1.426 2.395 -7.486 467 HD11 LEU 55 1HD1 LEU 55 2.049 5.147 -6.430 468 HD12 LEU 55 2HD1 LEU 55 1.675 3.722 -5.461 469 HD13 LEU 55 3HD1 LEU 55 0.447 4.415 -6.524 470 HD21 LEU 55 3HD2 LEU 55 1.960 3.281 -9.658 471 HD22 LEU 55 1HD2 LEU 55 2.288 4.871 -8.964 472 HD23 LEU 55 2HD2 LEU 55 0.649 4.213 -8.944 473 H LYS 56 H LYS 56 5.726 3.374 -9.916 474 HA LYS 56 HA LYS 56 8.031 1.889 -9.317 475 HB2 LYS 56 2HB LYS 56 7.577 3.085 -11.466 476 HB3 LYS 56 1HB LYS 56 7.805 4.610 -10.640 477 HG2 LYS 56 2HG LYS 56 9.958 2.511 -10.855 478 HG3 LYS 56 1HG LYS 56 9.711 3.744 -12.081 479 HD2 LYS 56 2HD LYS 56 10.384 4.255 -9.172 480 HD3 LYS 56 1HD LYS 56 11.544 4.288 -10.503 481 HE2 LYS 56 2HE LYS 56 10.191 6.111 -11.538 482 HE3 LYS 56 1HE LYS 56 9.177 6.121 -10.093 483 HZ1 LYS 56 3HZ LYS 56 12.073 6.685 -10.214 484 HZ2 LYS 56 1HZ LYS 56 11.191 6.705 -8.787 485 HZ3 LYS 56 2HZ LYS 56 10.882 7.836 -10.008 486 H TRP 57 H TRP 57 6.753 4.969 -8.098 487 HA TRP 57 HA TRP 57 9.143 5.563 -6.711 488 HB2 TRP 57 2HB TRP 57 7.973 7.336 -5.524 489 HB3 TRP 57 1HB TRP 57 7.456 7.349 -7.197 490 HD1 TRP 57 HD TRP 57 4.836 7.158 -7.603 491 HE1 TRP 57 1HE TRP 57 2.788 7.007 -6.011 492 HE3 TRP 57 3HE TRP 57 7.262 6.289 -3.208 493 HZ2 TRP 57 2HZ TRP 57 2.297 6.548 -3.239 494 HZ3 TRP 57 3HZ TRP 57 5.955 6.009 -1.183 495 HH2 TRP 57 HH TRP 57 3.504 6.126 -1.223 496 H ILE 58 H ILE 58 6.409 3.598 -5.914 497 HA ILE 58 HA ILE 58 6.717 3.330 -3.119 498 HB ILE 58 HB ILE 58 5.520 1.599 -5.263 499 HG12 ILE 58 2HG1 ILE 58 4.323 3.631 -4.465 500 HG13 ILE 58 1HG1 ILE 58 3.376 2.190 -4.216 501 HG21 ILE 58 1HG2 ILE 58 5.570 0.822 -2.355 502 HG22 ILE 58 2HG2 ILE 58 6.424 0.022 -3.671 503 HG23 ILE 58 3HG2 ILE 58 4.660 0.020 -3.645 504 HD11 ILE 58 3HD1 ILE 58 4.976 3.642 -2.171 505 HD12 ILE 58 1HD1 ILE 58 4.114 2.128 -1.910 506 HD13 ILE 58 2HD1 ILE 58 3.227 3.591 -2.340 507 H GLN 59 H GLN 59 7.847 1.298 -5.757 508 HA GLN 59 HA GLN 59 9.198 -0.456 -3.992 509 HB2 GLN 59 2HB GLN 59 10.032 -1.535 -6.068 510 HB3 GLN 59 1HB GLN 59 8.292 -1.350 -5.964 511 HG2 GLN 59 2HG GLN 59 8.451 0.624 -7.441 512 HG3 GLN 59 1HG GLN 59 10.178 0.312 -7.609 513 HE21 GLN 59 1HE2 GLN 59 7.783 -2.208 -7.358 514 HE22 GLN 59 2HE2 GLN 59 7.947 -2.794 -8.951 515 H GLU 60 H GLU 60 10.091 2.318 -5.828 516 HA GLU 60 HA GLU 60 12.891 2.005 -5.570 517 HB2 GLU 60 2HB GLU 60 11.937 3.332 -7.349 518 HB3 GLU 60 1HB GLU 60 11.108 4.348 -6.195 519 HG2 GLU 60 2HG GLU 60 13.299 5.202 -5.453 520 HG3 GLU 60 1HG GLU 60 14.065 4.236 -6.719 521 H TYR 61 H TYR 61 10.545 2.828 -3.414 522 HA TYR 61 HA TYR 61 12.388 4.374 -1.757 523 HB2 TYR 61 2HB TYR 61 10.312 5.535 -2.289 524 HB3 TYR 61 1HB TYR 61 9.368 4.159 -1.757 525 HD1 TYR 61 2HD TYR 61 12.210 5.154 0.290 526 HD2 TYR 61 1HD TYR 61 8.061 5.722 -0.407 527 HE1 TYR 61 2HE TYR 61 11.983 6.236 2.508 528 HE2 TYR 61 1HE TYR 61 7.801 6.775 1.764 529 HH TYR 61 HH TYR 61 10.469 7.812 3.614 530 H LEU 62 H LEU 62 9.722 2.158 -1.360 531 HA LEU 62 HA LEU 62 10.679 1.260 1.128 532 HB2 LEU 62 2HB LEU 62 8.556 0.356 -0.696 533 HB3 LEU 62 1HB LEU 62 8.880 -0.608 0.698 534 HG LEU 62 HG LEU 62 7.010 0.773 1.208 535 HD11 LEU 62 1HD1 LEU 62 8.559 0.670 3.041 536 HD12 LEU 62 2HD1 LEU 62 7.715 2.218 3.012 537 HD13 LEU 62 3HD1 LEU 62 9.377 2.124 2.455 538 HD21 LEU 62 3HD2 LEU 62 8.584 3.115 0.175 539 HD22 LEU 62 1HD2 LEU 62 6.990 3.191 0.916 540 HD23 LEU 62 2HD2 LEU 62 7.205 2.350 -0.619 541 H GLU 63 H GLU 63 11.221 0.071 -2.120 542 HA GLU 63 HA GLU 63 12.292 -2.309 -0.849 543 HB2 GLU 63 2HB GLU 63 11.223 -1.986 -3.641 544 HB3 GLU 63 1HB GLU 63 12.190 -3.374 -3.164 545 HG2 GLU 63 2HG GLU 63 9.567 -2.563 -1.880 546 HG3 GLU 63 1HG GLU 63 9.776 -3.855 -3.058 547 H LYS 64 H LYS 64 13.155 0.400 -2.714 548 HA LYS 64 HA LYS 64 15.702 -0.853 -3.334 549 HB2 LYS 64 2HB LYS 64 14.354 0.517 -5.056 550 HB3 LYS 64 1HB LYS 64 14.824 1.935 -4.146 551 HG2 LYS 64 2HG LYS 64 16.767 0.027 -5.473 552 HG3 LYS 64 1HG LYS 64 16.174 1.505 -6.209 553 HD2 LYS 64 2HD LYS 64 17.237 2.820 -4.481 554 HD3 LYS 64 1HD LYS 64 17.735 1.357 -3.628 555 HE2 LYS 64 2HE LYS 64 19.096 0.716 -5.575 556 HE3 LYS 64 1HE LYS 64 18.606 2.200 -6.388 557 HZ1 LYS 64 3HZ LYS 64 20.136 2.104 -3.834 558 HZ2 LYS 64 1HZ LYS 64 19.715 3.484 -4.720 559 HZ3 LYS 64 2HZ LYS 64 20.791 2.366 -5.360 560 H ALA 65 H ALA 65 14.221 1.457 -1.224 561 HA ALA 65 HA ALA 65 16.892 2.184 -0.260 562 HB1 ALA 65 1HB ALA 65 15.455 4.076 -0.883 563 HB2 ALA 65 2HB ALA 65 15.839 4.102 0.847 564 HB3 ALA 65 3HB ALA 65 14.265 3.528 0.299 565 H LEU 66 H LEU 66 13.744 1.057 0.931 566 HA LEU 66 HA LEU 66 14.888 0.729 3.606 567 HB2 LEU 66 2HB LEU 66 12.103 0.318 2.603 568 HB3 LEU 66 1HB LEU 66 12.579 -0.199 4.182 569 HG LEU 66 HG LEU 66 11.434 1.916 4.390 570 HD11 LEU 66 1HD1 LEU 66 13.088 3.284 5.529 571 HD12 LEU 66 2HD1 LEU 66 14.383 2.334 4.806 572 HD13 LEU 66 3HD1 LEU 66 13.261 1.573 5.925 573 HD21 LEU 66 3HD2 LEU 66 12.258 3.981 3.362 574 HD22 LEU 66 1HD2 LEU 66 11.767 2.804 2.146 575 HD23 LEU 66 2HD2 LEU 66 13.476 3.052 2.490 576 H ASN 67 H ASN 67 14.695 -1.108 0.940 577 HA ASN 67 HA ASN 67 14.661 -3.563 2.548 578 HB2 ASN 67 2HB ASN 67 13.008 -3.365 0.710 579 HB3 ASN 67 1HB ASN 67 14.339 -3.285 -0.442 580 HD21 ASN 67 1HD2 ASN 67 12.484 -5.140 1.620 581 HD22 ASN 67 2HD2 ASN 67 13.049 -6.729 1.184 582 H LYS 68 H LYS 68 16.377 -1.838 0.011 583 HA LYS 68 HA LYS 68 18.620 -3.659 0.258 584 HB2 LYS 68 2HB LYS 68 17.997 -1.483 -1.722 585 HB3 LYS 68 1HB LYS 68 19.418 -2.510 -1.800 586 HG2 LYS 68 2HG LYS 68 17.952 -4.470 -2.033 587 HG3 LYS 68 1HG LYS 68 16.550 -3.410 -1.967 588 HD2 LYS 68 2HD LYS 68 17.365 -2.270 -3.996 589 HD3 LYS 68 1HD LYS 68 18.707 -3.417 -4.067 590 HE2 LYS 68 2HE LYS 68 17.092 -5.264 -4.178 591 HE3 LYS 68 1HE LYS 68 15.779 -4.094 -4.171 592 HZ1 LYS 68 3HZ LYS 68 17.859 -4.391 -6.259 593 HZ2 LYS 68 1HZ LYS 68 16.636 -3.206 -6.267 594 HZ3 LYS 68 2HZ LYS 68 16.237 -4.829 -6.354 Start of MODEL 9 1 H1 LYS 1 1HT LYS 1 -21.177 -14.922 -11.859 2 H2 LYS 1 2HT LYS 1 -21.447 -16.390 -11.136 3 H3 LYS 1 3HT LYS 1 -20.046 -16.179 -12.039 4 HA LYS 1 HA LYS 1 -19.548 -16.097 -9.683 5 HB2 LYS 1 2HB LYS 1 -19.541 -13.321 -10.890 6 HB3 LYS 1 1HB LYS 1 -18.597 -13.828 -9.505 7 HG2 LYS 1 2HG LYS 1 -17.326 -15.356 -10.902 8 HG3 LYS 1 1HG LYS 1 -18.315 -14.908 -12.297 9 HD2 LYS 1 2HD LYS 1 -17.541 -12.593 -12.098 10 HD3 LYS 1 1HD LYS 1 -16.555 -13.041 -10.706 11 HE2 LYS 1 2HE LYS 1 -15.240 -14.542 -12.105 12 HE3 LYS 1 1HE LYS 1 -16.254 -14.158 -13.493 13 HZ1 LYS 1 2HZ LYS 1 -14.182 -12.889 -13.521 14 HZ2 LYS 1 3HZ LYS 1 -14.544 -12.223 -12.026 15 HZ3 LYS 1 1HZ LYS 1 -15.501 -11.864 -13.354 16 HA PRO 2 HA PRO 2 -23.124 -14.569 -7.342 17 HB2 PRO 2 2HB PRO 2 -21.643 -15.523 -4.994 18 HB3 PRO 2 1HB PRO 2 -23.212 -16.066 -5.591 19 HG2 PRO 2 2HG PRO 2 -20.998 -17.618 -5.737 20 HG3 PRO 2 1HG PRO 2 -22.280 -17.679 -6.957 21 HD2 PRO 2 2HD PRO 2 -19.612 -16.326 -7.071 22 HD3 PRO 2 1HD PRO 2 -20.483 -17.237 -8.326 23 H VAL 3 H VAL 3 -19.915 -14.028 -7.113 24 HA VAL 3 HA VAL 3 -18.515 -12.424 -6.495 25 HB VAL 3 HB VAL 3 -20.914 -10.563 -6.517 26 HG11 VAL 3 1HG1 VAL 3 -17.954 -9.961 -6.698 27 HG12 VAL 3 2HG1 VAL 3 -19.011 -9.581 -5.341 28 HG13 VAL 3 3HG1 VAL 3 -19.242 -8.777 -6.893 29 HG21 VAL 3 3HG2 VAL 3 -20.199 -10.020 -8.812 30 HG22 VAL 3 1HG2 VAL 3 -20.624 -11.722 -8.648 31 HG23 VAL 3 2HG2 VAL 3 -18.931 -11.238 -8.695 32 H SER 4 H SER 4 -18.202 -13.593 -4.694 33 HA SER 4 HA SER 4 -18.515 -11.970 -2.342 34 HB2 SER 4 2HB SER 4 -20.359 -13.709 -2.264 35 HB3 SER 4 1HB SER 4 -19.114 -14.957 -2.330 36 HG SER 4 HG SER 4 -19.569 -13.027 -0.322 37 H LEU 5 H LEU 5 -16.424 -11.579 -2.019 38 HA LEU 5 HA LEU 5 -14.537 -13.653 -2.716 39 HB2 LEU 5 2HB LEU 5 -14.164 -10.672 -2.653 40 HB3 LEU 5 1HB LEU 5 -12.893 -11.830 -2.966 41 HG LEU 5 HG LEU 5 -15.311 -11.339 -4.703 42 HD11 LEU 5 1HD1 LEU 5 -13.699 -9.522 -4.786 43 HD12 LEU 5 2HD1 LEU 5 -13.687 -10.434 -6.295 44 HD13 LEU 5 3HD1 LEU 5 -12.399 -10.667 -5.111 45 HD21 LEU 5 3HD2 LEU 5 -14.620 -13.676 -4.831 46 HD22 LEU 5 1HD2 LEU 5 -12.947 -13.181 -5.109 47 HD23 LEU 5 2HD2 LEU 5 -14.189 -12.827 -6.311 48 H SER 6 H SER 6 -14.489 -14.632 -0.892 49 HA SER 6 HA SER 6 -13.771 -13.326 1.567 50 HB2 SER 6 2HB SER 6 -13.458 -16.246 0.799 51 HB3 SER 6 1HB SER 6 -13.469 -15.583 2.437 52 HG SER 6 HG SER 6 -15.631 -14.949 2.096 53 H TYR 7 H TYR 7 -11.964 -12.101 1.149 54 HA TYR 7 HA TYR 7 -9.863 -13.458 -0.238 55 HB2 TYR 7 2HB TYR 7 -8.824 -11.248 -0.659 56 HB3 TYR 7 1HB TYR 7 -10.424 -11.446 -1.341 57 HD1 TYR 7 2HD TYR 7 -8.392 -9.701 1.115 58 HD2 TYR 7 1HD TYR 7 -12.282 -10.048 -0.532 59 HE1 TYR 7 2HE TYR 7 -8.973 -7.556 2.107 60 HE2 TYR 7 1HE TYR 7 -12.894 -7.866 0.454 61 HH TYR 7 HH TYR 7 -12.174 -6.407 2.276 62 H ARG 8 H ARG 8 -7.999 -13.868 0.385 63 HA ARG 8 HA ARG 8 -7.519 -13.888 3.257 64 HB2 ARG 8 2HB ARG 8 -5.769 -15.572 2.668 65 HB3 ARG 8 1HB ARG 8 -7.395 -16.006 2.172 66 HG2 ARG 8 2HG ARG 8 -6.110 -16.625 0.301 67 HG3 ARG 8 1HG ARG 8 -6.710 -15.018 -0.098 68 HD2 ARG 8 2HD ARG 8 -4.605 -14.032 0.516 69 HD3 ARG 8 1HD ARG 8 -3.963 -15.610 0.967 70 HE ARG 8 HE ARG 8 -4.788 -14.835 -1.749 71 HH11 ARG 8 1HH1 ARG 8 -2.739 -16.751 0.397 72 HH12 ARG 8 2HH1 ARG 8 -1.779 -17.396 -0.845 73 HH21 ARG 8 1HH2 ARG 8 -3.481 -15.752 -3.482 74 HH22 ARG 8 2HH2 ARG 8 -2.228 -16.829 -3.101 75 H CYS 9 H CYS 9 -6.907 -11.728 1.088 76 HA CYS 9 HA CYS 9 -4.159 -11.177 1.963 77 HB2 CYS 9 2HB CYS 9 -5.661 -10.088 -0.445 78 HB3 CYS 9 1HB CYS 9 -3.969 -9.822 -0.046 79 HA PRO 10 HA PRO 10 -5.784 -7.798 4.430 80 HB2 PRO 10 2HB PRO 10 -3.315 -6.403 3.516 81 HB3 PRO 10 1HB PRO 10 -3.915 -6.665 5.158 82 HG2 PRO 10 2HG PRO 10 -1.852 -8.090 4.217 83 HG3 PRO 10 1HG PRO 10 -3.070 -8.816 5.279 84 HD2 PRO 10 2HD PRO 10 -2.687 -9.111 2.345 85 HD3 PRO 10 1HD PRO 10 -3.253 -10.282 3.560 86 H CYS 11 H CYS 11 -4.353 -7.065 1.299 87 HA CYS 11 HA CYS 11 -6.567 -5.192 0.901 88 HB2 CYS 11 2HB CYS 11 -3.727 -4.824 -0.071 89 HB3 CYS 11 1HB CYS 11 -5.086 -3.803 -0.514 90 H ARG 12 H ARG 12 -7.858 -6.168 -0.437 91 HA ARG 12 HA ARG 12 -6.790 -7.756 -2.657 92 HB2 ARG 12 2HB ARG 12 -8.919 -8.327 -1.206 93 HB3 ARG 12 1HB ARG 12 -9.708 -7.096 -2.166 94 HG2 ARG 12 2HG ARG 12 -8.454 -9.623 -3.262 95 HG3 ARG 12 1HG ARG 12 -10.170 -9.382 -2.971 96 HD2 ARG 12 2HD ARG 12 -10.234 -7.672 -4.671 97 HD3 ARG 12 1HD ARG 12 -8.486 -7.760 -4.860 98 HE ARG 12 HE ARG 12 -10.024 -10.177 -5.357 99 HH11 ARG 12 1HH1 ARG 12 -8.149 -7.455 -6.638 100 HH12 ARG 12 2HH1 ARG 12 -7.997 -8.107 -8.197 101 HH21 ARG 12 1HH2 ARG 12 -9.823 -11.078 -7.516 102 HH22 ARG 12 2HH2 ARG 12 -8.996 -10.208 -8.721 103 H PHE 13 H PHE 13 -8.227 -4.719 -1.839 104 HA PHE 13 HA PHE 13 -8.320 -3.915 -4.638 105 HB2 PHE 13 2HB PHE 13 -9.546 -2.638 -2.181 106 HB3 PHE 13 1HB PHE 13 -9.672 -1.996 -3.813 107 HD1 PHE 13 2HD PHE 13 -11.028 -3.143 -5.496 108 HD2 PHE 13 1HD PHE 13 -10.868 -4.529 -1.477 109 HE1 PHE 13 2HE PHE 13 -13.027 -4.508 -5.892 110 HE2 PHE 13 1HE PHE 13 -12.871 -5.900 -1.868 111 HZ PHE 13 HZ PHE 13 -13.953 -5.889 -4.081 112 H PHE 14 H PHE 14 -7.341 -1.948 -5.256 113 HA PHE 14 HA PHE 14 -5.340 -0.848 -3.460 114 HB2 PHE 14 2HB PHE 14 -4.756 -2.012 -6.181 115 HB3 PHE 14 1HB PHE 14 -3.658 -0.972 -5.291 116 HD1 PHE 14 2HD PHE 14 -2.934 -1.736 -3.016 117 HD2 PHE 14 1HD PHE 14 -4.731 -4.321 -5.853 118 HE1 PHE 14 2HE PHE 14 -1.979 -3.602 -1.864 119 HE2 PHE 14 1HE PHE 14 -3.770 -6.268 -4.685 120 HZ PHE 14 HZ PHE 14 -2.383 -5.929 -2.681 121 H GLU 15 H GLU 15 -4.860 1.292 -3.940 122 HA GLU 15 HA GLU 15 -6.154 2.441 -6.278 123 HB2 GLU 15 2HB GLU 15 -6.972 3.284 -4.021 124 HB3 GLU 15 1HB GLU 15 -5.348 3.855 -3.718 125 HG2 GLU 15 2HG GLU 15 -5.468 5.335 -5.635 126 HG3 GLU 15 1HG GLU 15 -7.092 4.761 -5.990 127 H SER 16 H SER 16 -4.826 3.857 -7.540 128 HA SER 16 HA SER 16 -1.945 3.663 -6.952 129 HB2 SER 16 2HB SER 16 -1.717 3.832 -9.451 130 HB3 SER 16 1HB SER 16 -2.505 2.355 -8.874 131 HG SER 16 HG SER 16 -4.246 2.926 -9.871 132 H HIS 17 H HIS 17 -4.135 5.756 -6.431 133 HA HIS 17 HA HIS 17 -3.266 8.037 -8.045 134 HB2 HIS 17 2HB HIS 17 -5.512 7.766 -6.037 135 HB3 HIS 17 1HB HIS 17 -5.110 9.250 -6.881 136 HD1 HIS 17 1HD HIS 17 -7.114 9.547 -8.342 137 HD2 HIS 17 2HD HIS 17 -5.508 5.740 -8.545 138 HE1 HIS 17 1HE HIS 17 -8.454 8.369 -10.104 139 HE2 HIS 17 2HE HIS 17 -7.454 6.047 -10.238 140 H VAL 18 H VAL 18 -2.246 6.684 -5.192 141 HA VAL 18 HA VAL 18 -1.975 9.171 -3.752 142 HB VAL 18 HB VAL 18 -0.956 6.419 -3.012 143 HG11 VAL 18 1HG1 VAL 18 0.159 8.203 -1.798 144 HG12 VAL 18 2HG1 VAL 18 -0.902 7.283 -0.733 145 HG13 VAL 18 3HG1 VAL 18 -1.402 8.870 -1.318 146 HG21 VAL 18 3HG2 VAL 18 -3.529 7.783 -2.247 147 HG22 VAL 18 1HG2 VAL 18 -2.939 6.260 -1.583 148 HG23 VAL 18 2HG2 VAL 18 -3.363 6.368 -3.289 149 H ALA 19 H ALA 19 -0.100 10.251 -3.368 150 HA ALA 19 HA ALA 19 2.276 9.436 -4.903 151 HB1 ALA 19 1HB ALA 19 1.204 11.499 -5.738 152 HB2 ALA 19 2HB ALA 19 2.809 11.806 -5.072 153 HB3 ALA 19 3HB ALA 19 1.375 12.199 -4.124 154 H ARG 20 H ARG 20 4.301 9.750 -3.884 155 HA ARG 20 HA ARG 20 4.409 9.044 -1.182 156 HB2 ARG 20 2HB ARG 20 6.172 8.478 -2.696 157 HB3 ARG 20 1HB ARG 20 6.570 10.160 -2.969 158 HG2 ARG 20 2HG ARG 20 7.255 10.372 -0.653 159 HG3 ARG 20 1HG ARG 20 6.830 8.687 -0.367 160 HD2 ARG 20 2HD ARG 20 8.528 7.962 -1.929 161 HD3 ARG 20 1HD ARG 20 8.880 9.632 -2.392 162 HE ARG 20 HE ARG 20 9.220 9.451 0.323 163 HH11 ARG 20 1HH1 ARG 20 10.737 7.983 -2.558 164 HH12 ARG 20 2HH1 ARG 20 12.260 7.842 -1.852 165 HH21 ARG 20 1HH2 ARG 20 11.374 9.224 1.292 166 HH22 ARG 20 2HH2 ARG 20 12.632 8.558 0.386 167 H ALA 21 H ALA 21 4.559 12.188 -2.671 168 HA ALA 21 HA ALA 21 5.473 13.628 -0.389 169 HB1 ALA 21 1HB ALA 21 4.737 15.619 -1.608 170 HB2 ALA 21 2HB ALA 21 3.876 14.599 -2.758 171 HB3 ALA 21 3HB ALA 21 5.636 14.531 -2.662 172 H ASN 22 H ASN 22 2.466 12.320 -1.322 173 HA ASN 22 HA ASN 22 0.911 13.977 0.511 174 HB2 ASN 22 2HB ASN 22 0.039 13.506 -1.755 175 HB3 ASN 22 1HB ASN 22 0.114 11.786 -1.399 176 HD21 ASN 22 1HD2 ASN 22 -0.993 14.286 0.837 177 HD22 ASN 22 2HD2 ASN 22 -2.633 13.729 0.849 178 H VAL 23 H VAL 23 2.514 10.977 0.321 179 HA VAL 23 HA VAL 23 0.876 9.542 2.179 180 HB VAL 23 HB VAL 23 3.706 8.911 1.248 181 HG11 VAL 23 1HG1 VAL 23 3.195 6.654 2.055 182 HG12 VAL 23 2HG1 VAL 23 1.686 7.240 2.733 183 HG13 VAL 23 3HG1 VAL 23 3.216 7.839 3.375 184 HG21 VAL 23 3HG2 VAL 23 2.112 8.889 -0.566 185 HG22 VAL 23 1HG2 VAL 23 1.023 7.877 0.388 186 HG23 VAL 23 2HG2 VAL 23 2.578 7.242 -0.117 187 H LYS 24 H LYS 24 0.842 9.683 4.261 188 HA LYS 24 HA LYS 24 2.622 11.367 5.759 189 HB2 LYS 24 2HB LYS 24 0.183 11.048 6.397 190 HB3 LYS 24 1HB LYS 24 0.566 9.348 6.716 191 HG2 LYS 24 2HG LYS 24 1.844 10.107 8.514 192 HG3 LYS 24 1HG LYS 24 1.586 11.789 8.016 193 HD2 LYS 24 2HD LYS 24 -0.860 11.400 8.147 194 HD3 LYS 24 1HD LYS 24 -0.509 9.804 8.828 195 HE2 LYS 24 2HE LYS 24 0.822 10.822 10.403 196 HE3 LYS 24 1HE LYS 24 0.367 12.427 9.858 197 HZ1 LYS 24 3HZ LYS 24 -2.041 11.817 10.350 198 HZ2 LYS 24 1HZ LYS 24 -1.070 11.937 11.711 199 HZ3 LYS 24 2HZ LYS 24 -1.486 10.431 11.162 200 H ARG 25 H ARG 25 1.820 7.976 5.812 201 HA ARG 25 HA ARG 25 4.563 7.159 6.222 202 HB2 ARG 25 2HB ARG 25 3.685 7.648 8.505 203 HB3 ARG 25 1HB ARG 25 2.367 6.537 8.208 204 HG2 ARG 25 2HG ARG 25 3.948 5.448 9.607 205 HG3 ARG 25 1HG ARG 25 4.043 4.703 8.015 206 HD2 ARG 25 2HD ARG 25 5.936 6.815 9.054 207 HD3 ARG 25 1HD ARG 25 6.261 5.095 9.104 208 HE ARG 25 HE ARG 25 6.112 6.769 6.682 209 HH11 ARG 25 1HH1 ARG 25 7.085 3.711 8.250 210 HH12 ARG 25 2HH1 ARG 25 8.131 3.281 6.991 211 HH21 ARG 25 1HH2 ARG 25 7.603 6.131 4.971 212 HH22 ARG 25 2HH2 ARG 25 8.450 4.674 5.150 213 H LEU 26 H LEU 26 4.807 4.952 5.421 214 HA LEU 26 HA LEU 26 2.383 3.481 4.973 215 HB2 LEU 26 2HB LEU 26 2.590 3.137 2.686 216 HB3 LEU 26 1HB LEU 26 2.690 4.856 2.880 217 HG LEU 26 HG LEU 26 4.985 2.980 2.303 218 HD11 LEU 26 1HD1 LEU 26 4.927 4.070 0.110 219 HD12 LEU 26 2HD1 LEU 26 3.461 4.910 0.627 220 HD13 LEU 26 3HD1 LEU 26 3.475 3.141 0.522 221 HD21 LEU 26 3HD2 LEU 26 5.005 6.003 2.237 222 HD22 LEU 26 1HD2 LEU 26 6.325 4.907 1.864 223 HD23 LEU 26 2HD2 LEU 26 5.740 5.038 3.532 224 H LYS 27 H LYS 27 2.790 1.314 4.268 225 HA LYS 27 HA LYS 27 5.495 0.298 4.546 226 HB2 LYS 27 2HB LYS 27 3.171 -0.600 6.248 227 HB3 LYS 27 1HB LYS 27 4.635 -1.539 6.025 228 HG2 LYS 27 2HG LYS 27 5.928 0.146 7.088 229 HG3 LYS 27 1HG LYS 27 4.514 1.207 7.130 230 HD2 LYS 27 2HD LYS 27 3.365 -0.392 8.588 231 HD3 LYS 27 1HD LYS 27 4.757 -1.466 8.509 232 HE2 LYS 27 2HE LYS 27 6.120 0.229 9.623 233 HE3 LYS 27 1HE LYS 27 4.721 1.303 9.683 234 HZ1 LYS 27 3HZ LYS 27 3.589 -0.305 11.095 235 HZ2 LYS 27 1HZ LYS 27 5.058 0.140 11.788 236 HZ3 LYS 27 2HZ LYS 27 4.905 -1.350 11.020 237 H ILE 28 H ILE 28 5.719 -1.629 3.619 238 HA ILE 28 HA ILE 28 3.472 -2.521 1.926 239 HB ILE 28 HB ILE 28 6.426 -3.104 1.550 240 HG12 ILE 28 2HG1 ILE 28 4.539 -1.338 -0.024 241 HG13 ILE 28 1HG1 ILE 28 5.990 -0.889 0.854 242 HG21 ILE 28 1HG2 ILE 28 4.087 -4.012 -0.126 243 HG22 ILE 28 2HG2 ILE 28 5.150 -5.029 0.852 244 HG23 ILE 28 3HG2 ILE 28 5.785 -4.181 -0.564 245 HD11 ILE 28 3HD1 ILE 28 6.382 -0.912 -1.551 246 HD12 ILE 28 1HD1 ILE 28 5.921 -2.613 -1.610 247 HD13 ILE 28 2HD1 ILE 28 7.364 -2.121 -0.724 248 H LEU 29 H LEU 29 2.549 -4.337 2.476 249 HA LEU 29 HA LEU 29 3.905 -6.095 4.345 250 HB2 LEU 29 2HB LEU 29 1.172 -6.255 3.069 251 HB3 LEU 29 1HB LEU 29 1.784 -7.341 4.297 252 HG LEU 29 HG LEU 29 1.217 -4.401 4.681 253 HD11 LEU 29 1HD1 LEU 29 -0.790 -5.739 4.383 254 HD12 LEU 29 2HD1 LEU 29 -0.641 -5.201 6.059 255 HD13 LEU 29 3HD1 LEU 29 -0.232 -6.864 5.617 256 HD21 LEU 29 3HD2 LEU 29 3.049 -5.181 6.086 257 HD22 LEU 29 1HD2 LEU 29 2.069 -6.545 6.621 258 HD23 LEU 29 2HD2 LEU 29 1.606 -4.895 7.063 259 H ASN 30 H ASN 30 5.304 -7.265 3.381 260 HA ASN 30 HA ASN 30 4.962 -8.096 0.628 261 HB2 ASN 30 2HB ASN 30 7.242 -8.714 2.541 262 HB3 ASN 30 1HB ASN 30 7.243 -8.942 0.801 263 HD21 ASN 30 1HD2 ASN 30 7.595 -7.150 -0.526 264 HD22 ASN 30 2HD2 ASN 30 8.152 -5.637 0.044 265 H THR 31 H THR 31 3.096 -9.520 1.018 266 HA THR 31 HA THR 31 3.736 -11.614 2.810 267 HB THR 31 HB THR 31 1.444 -12.389 2.558 268 HG1 THR 31 1HG THR 31 -0.032 -11.038 1.403 269 HG21 THR 31 3HG2 THR 31 1.649 -9.428 3.106 270 HG22 THR 31 1HG2 THR 31 1.903 -10.733 4.273 271 HG23 THR 31 2HG2 THR 31 0.298 -10.433 3.595 272 HA PRO 32 HA PRO 32 5.228 -13.946 -0.677 273 HB2 PRO 32 2HB PRO 32 5.531 -16.321 0.666 274 HB3 PRO 32 1HB PRO 32 6.710 -15.008 0.727 275 HG2 PRO 32 2HG PRO 32 4.573 -15.720 2.689 276 HG3 PRO 32 1HG PRO 32 6.229 -15.190 2.997 277 HD2 PRO 32 2HD PRO 32 4.150 -13.539 3.242 278 HD3 PRO 32 1HD PRO 32 5.722 -12.969 2.658 279 H ASN 33 H ASN 33 2.585 -14.815 1.358 280 HA ASN 33 HA ASN 33 1.574 -16.937 -0.265 281 HB2 ASN 33 2HB ASN 33 -0.387 -16.933 1.154 282 HB3 ASN 33 1HB ASN 33 1.011 -16.665 2.190 283 HD21 ASN 33 1HD2 ASN 33 1.312 -14.611 3.111 284 HD22 ASN 33 2HD2 ASN 33 0.029 -13.451 3.106 285 H CYS 34 H CYS 34 1.007 -13.426 -0.114 286 HA CYS 34 HA CYS 34 -0.972 -13.804 -2.265 287 HB2 CYS 34 2HB CYS 34 -1.570 -12.382 0.035 288 HB3 CYS 34 1HB CYS 34 -0.594 -11.283 -0.760 289 H ALA 35 H ALA 35 0.966 -10.944 -1.321 290 HA ALA 35 HA ALA 35 2.519 -10.712 -3.616 291 HB1 ALA 35 1HB ALA 35 -0.154 -9.273 -3.646 292 HB2 ALA 35 2HB ALA 35 0.345 -10.532 -4.769 293 HB3 ALA 35 3HB ALA 35 1.169 -8.977 -4.775 294 H LEU 36 H LEU 36 2.217 -7.863 -3.766 295 HA LEU 36 HA LEU 36 3.145 -7.127 -1.111 296 HB2 LEU 36 2HB LEU 36 3.053 -5.532 -3.656 297 HB3 LEU 36 1HB LEU 36 3.795 -5.028 -2.158 298 HG LEU 36 HG LEU 36 4.711 -7.203 -4.009 299 HD11 LEU 36 1HD1 LEU 36 5.879 -4.585 -3.143 300 HD12 LEU 36 2HD1 LEU 36 5.215 -4.961 -4.726 301 HD13 LEU 36 3HD1 LEU 36 6.704 -5.758 -4.183 302 HD21 LEU 36 3HD2 LEU 36 5.019 -7.917 -1.722 303 HD22 LEU 36 1HD2 LEU 36 5.785 -6.384 -1.321 304 HD23 LEU 36 2HD2 LEU 36 6.578 -7.501 -2.444 305 H GLN 37 H GLN 37 1.654 -6.359 0.250 306 HA GLN 37 HA GLN 37 -0.532 -4.854 -0.996 307 HB2 GLN 37 2HB GLN 37 -0.510 -6.182 1.741 308 HB3 GLN 37 1HB GLN 37 -1.767 -5.093 1.195 309 HG2 GLN 37 2HG GLN 37 -2.766 -7.098 0.808 310 HG3 GLN 37 1HG GLN 37 -2.008 -6.844 -0.748 311 HE21 GLN 37 1HE2 GLN 37 0.663 -7.661 0.430 312 HE22 GLN 37 2HE2 GLN 37 0.552 -9.358 0.565 313 H ILE 38 H ILE 38 -0.473 -2.766 -0.692 314 HA ILE 38 HA ILE 38 1.413 -1.795 1.350 315 HB ILE 38 HB ILE 38 0.707 -0.397 -1.220 316 HG12 ILE 38 2HG1 ILE 38 3.027 -2.272 -0.725 317 HG13 ILE 38 1HG1 ILE 38 1.624 -2.613 -1.715 318 HG21 ILE 38 1HG2 ILE 38 3.056 -0.207 0.708 319 HG22 ILE 38 2HG2 ILE 38 1.750 0.961 0.565 320 HG23 ILE 38 3HG2 ILE 38 2.880 0.733 -0.774 321 HD11 ILE 38 3HD1 ILE 38 3.561 -0.402 -2.192 322 HD12 ILE 38 1HD1 ILE 38 2.198 -0.836 -3.221 323 HD13 ILE 38 2HD1 ILE 38 3.562 -1.950 -3.025 324 H VAL 39 H VAL 39 0.827 0.100 2.454 325 HA VAL 39 HA VAL 39 -1.935 0.990 2.083 326 HB VAL 39 HB VAL 39 -2.194 1.171 4.567 327 HG11 VAL 39 1HG1 VAL 39 -3.157 -0.734 3.408 328 HG12 VAL 39 2HG1 VAL 39 -2.565 -1.216 4.999 329 HG13 VAL 39 3HG1 VAL 39 -1.634 -1.614 3.555 330 HG21 VAL 39 3HG2 VAL 39 -0.662 -0.068 6.044 331 HG22 VAL 39 1HG2 VAL 39 0.181 1.227 5.181 332 HG23 VAL 39 2HG2 VAL 39 0.366 -0.443 4.657 333 H ALA 40 H ALA 40 -2.174 3.172 2.075 334 HA ALA 40 HA ALA 40 0.080 4.757 3.119 335 HB1 ALA 40 1HB ALA 40 -1.406 5.281 0.557 336 HB2 ALA 40 2HB ALA 40 0.262 4.722 0.712 337 HB3 ALA 40 3HB ALA 40 -0.189 6.319 1.290 338 H ARG 41 H ARG 41 -0.561 6.099 4.565 339 HA ARG 41 HA ARG 41 -3.316 7.034 4.477 340 HB2 ARG 41 2HB ARG 41 -2.652 6.124 6.672 341 HB3 ARG 41 1HB ARG 41 -1.294 7.231 6.707 342 HG2 ARG 41 2HG ARG 41 -2.557 9.023 7.194 343 HG3 ARG 41 1HG ARG 41 -4.007 8.370 6.439 344 HD2 ARG 41 2HD ARG 41 -4.221 8.455 8.885 345 HD3 ARG 41 1HD ARG 41 -4.312 6.817 8.266 346 HE ARG 41 HE ARG 41 -1.672 7.502 9.129 347 HH11 ARG 41 1HH1 ARG 41 -4.869 6.394 10.210 348 HH12 ARG 41 2HH1 ARG 41 -4.287 5.736 11.665 349 HH21 ARG 41 1HH2 ARG 41 -0.898 6.564 11.153 350 HH22 ARG 41 2HH2 ARG 41 -2.014 5.845 12.216 351 H LEU 42 H LEU 42 -3.819 8.974 4.026 352 HA LEU 42 HA LEU 42 -1.843 10.620 2.730 353 HB2 LEU 42 2HB LEU 42 -4.644 11.367 3.466 354 HB3 LEU 42 1HB LEU 42 -3.702 12.250 2.313 355 HG LEU 42 HG LEU 42 -5.257 9.783 2.084 356 HD11 LEU 42 1HD1 LEU 42 -5.759 10.586 -0.170 357 HD12 LEU 42 2HD1 LEU 42 -4.742 11.985 0.140 358 HD13 LEU 42 3HD1 LEU 42 -6.188 11.714 1.105 359 HD21 LEU 42 3HD2 LEU 42 -2.776 10.127 0.382 360 HD22 LEU 42 1HD2 LEU 42 -4.045 8.934 0.086 361 HD23 LEU 42 2HD2 LEU 42 -3.070 8.838 1.549 362 H LYS 43 H LYS 43 -0.983 12.597 3.346 363 HA LYS 43 HA LYS 43 -0.649 13.025 6.116 364 HB2 LYS 43 2HB LYS 43 0.008 14.906 3.815 365 HB3 LYS 43 1HB LYS 43 0.538 15.118 5.475 366 HG2 LYS 43 2HG LYS 43 1.774 13.131 5.412 367 HG3 LYS 43 1HG LYS 43 1.256 12.824 3.750 368 HD2 LYS 43 2HD LYS 43 2.376 14.719 2.941 369 HD3 LYS 43 1HD LYS 43 2.646 15.370 4.566 370 HE2 LYS 43 2HE LYS 43 3.936 13.520 5.091 371 HE3 LYS 43 1HE LYS 43 3.804 12.815 3.475 372 HZ1 LYS 43 3HZ LYS 43 5.138 15.397 4.197 373 HZ2 LYS 43 1HZ LYS 43 4.925 14.885 2.611 374 HZ3 LYS 43 2HZ LYS 43 5.910 14.019 3.637 375 H ASN 44 H ASN 44 -2.700 14.644 3.730 376 HA ASN 44 HA ASN 44 -3.638 16.466 5.813 377 HB2 ASN 44 2HB ASN 44 -4.222 16.508 2.844 378 HB3 ASN 44 1HB ASN 44 -4.792 17.675 4.015 379 HD21 ASN 44 1HD2 ASN 44 -3.368 19.177 4.851 380 HD22 ASN 44 2HD2 ASN 44 -1.811 19.429 4.159 381 H ASN 45 H ASN 45 -4.977 14.202 3.441 382 HA ASN 45 HA ASN 45 -7.638 14.391 4.428 383 HB2 ASN 45 2HB ASN 45 -7.010 13.548 2.140 384 HB3 ASN 45 1HB ASN 45 -6.409 12.100 2.945 385 HD21 ASN 45 1HD2 ASN 45 -7.912 10.846 1.682 386 HD22 ASN 45 2HD2 ASN 45 -9.562 10.816 2.111 387 H ASN 46 H ASN 46 -4.881 12.532 5.256 388 HA ASN 46 HA ASN 46 -4.320 11.139 6.884 389 HB2 ASN 46 2HB ASN 46 -5.165 13.114 8.241 390 HB3 ASN 46 1HB ASN 46 -6.685 12.256 8.435 391 HD21 ASN 46 1HD2 ASN 46 -6.793 10.630 9.932 392 HD22 ASN 46 2HD2 ASN 46 -5.532 10.203 11.022 393 H ARG 47 H ARG 47 -6.296 10.347 4.885 394 HA ARG 47 HA ARG 47 -7.435 8.062 6.323 395 HB2 ARG 47 2HB ARG 47 -8.212 9.120 3.610 396 HB3 ARG 47 1HB ARG 47 -8.926 7.727 4.402 397 HG2 ARG 47 2HG ARG 47 -9.697 9.204 6.233 398 HG3 ARG 47 1HG ARG 47 -9.053 10.575 5.342 399 HD2 ARG 47 2HD ARG 47 -10.479 10.008 3.457 400 HD3 ARG 47 1HD ARG 47 -11.182 8.690 4.384 401 HE ARG 47 HE ARG 47 -11.574 10.741 6.020 402 HH11 ARG 47 1HH1 ARG 47 -12.297 10.360 2.581 403 HH12 ARG 47 2HH1 ARG 47 -13.603 11.433 2.578 404 HH21 ARG 47 1HH2 ARG 47 -13.393 12.219 6.029 405 HH22 ARG 47 2HH2 ARG 47 -14.239 12.538 4.584 406 H GLN 48 H GLN 48 -7.185 5.978 5.388 407 HA GLN 48 HA GLN 48 -4.779 5.853 3.809 408 HB2 GLN 48 2HB GLN 48 -4.320 5.137 5.987 409 HB3 GLN 48 1HB GLN 48 -5.766 4.150 6.050 410 HG2 GLN 48 2HG GLN 48 -4.916 2.634 4.512 411 HG3 GLN 48 1HG GLN 48 -3.586 3.685 4.080 412 HE21 GLN 48 1HE2 GLN 48 -4.833 1.365 6.287 413 HE22 GLN 48 2HE2 GLN 48 -3.418 1.152 7.248 414 H VAL 49 H VAL 49 -4.722 4.727 2.084 415 HA VAL 49 HA VAL 49 -6.843 2.808 1.485 416 HB VAL 49 HB VAL 49 -6.726 3.433 -0.891 417 HG11 VAL 49 1HG1 VAL 49 -7.896 5.586 -0.791 418 HG12 VAL 49 2HG1 VAL 49 -7.383 5.776 0.885 419 HG13 VAL 49 3HG1 VAL 49 -8.468 4.461 0.437 420 HG21 VAL 49 3HG2 VAL 49 -4.975 5.711 0.019 421 HG22 VAL 49 1HG2 VAL 49 -5.601 5.481 -1.613 422 HG23 VAL 49 2HG2 VAL 49 -4.454 4.322 -0.935 423 H CYS 50 H CYS 50 -6.155 1.060 0.360 424 HA CYS 50 HA CYS 50 -3.410 0.319 0.599 425 HB2 CYS 50 2HB CYS 50 -5.701 -0.950 -0.891 426 HB3 CYS 50 1HB CYS 50 -4.174 -1.748 -0.662 427 H ILE 51 H ILE 51 -1.848 0.571 -0.825 428 HA ILE 51 HA ILE 51 -2.565 1.765 -3.387 429 HB ILE 51 HB ILE 51 0.127 2.085 -3.254 430 HG12 ILE 51 2HG1 ILE 51 -0.953 2.708 -0.514 431 HG13 ILE 51 1HG1 ILE 51 0.124 1.370 -0.879 432 HG21 ILE 51 1HG2 ILE 51 -2.012 4.044 -2.469 433 HG22 ILE 51 2HG2 ILE 51 -1.390 3.698 -4.091 434 HG23 ILE 51 3HG2 ILE 51 -0.335 4.438 -2.892 435 HD11 ILE 51 3HD1 ILE 51 1.315 3.223 0.072 436 HD12 ILE 51 1HD1 ILE 51 0.753 4.285 -1.231 437 HD13 ILE 51 2HD1 ILE 51 1.808 2.907 -1.584 438 H ASP 52 H ASP 52 -1.738 1.179 -5.225 439 HA ASP 52 HA ASP 52 -1.279 -1.648 -5.491 440 HB2 ASP 52 2HB ASP 52 -2.665 -0.212 -7.085 441 HB3 ASP 52 1HB ASP 52 -1.159 0.475 -7.650 442 HA PRO 53 HA PRO 53 3.184 -1.273 -5.132 443 HB2 PRO 53 2HB PRO 53 3.844 -3.741 -6.028 444 HB3 PRO 53 1HB PRO 53 3.145 -3.450 -4.432 445 HG2 PRO 53 2HG PRO 53 1.795 -4.326 -6.958 446 HG3 PRO 53 1HG PRO 53 1.615 -4.979 -5.321 447 HD2 PRO 53 2HD PRO 53 -0.183 -3.292 -6.354 448 HD3 PRO 53 1HD PRO 53 0.261 -3.225 -4.636 449 H LYS 54 H LYS 54 1.643 -1.052 -8.087 450 HA LYS 54 HA LYS 54 3.823 -1.653 -9.737 451 HB2 LYS 54 2HB LYS 54 1.398 -1.967 -10.121 452 HB3 LYS 54 1HB LYS 54 1.252 -0.237 -10.181 453 HG2 LYS 54 2HG LYS 54 2.637 -0.113 -12.018 454 HG3 LYS 54 1HG LYS 54 2.935 -1.873 -11.933 455 HD2 LYS 54 2HD LYS 54 0.179 -0.652 -12.332 456 HD3 LYS 54 1HD LYS 54 1.174 -1.178 -13.680 457 HE2 LYS 54 2HE LYS 54 -0.504 -2.897 -13.114 458 HE3 LYS 54 1HE LYS 54 1.118 -3.483 -12.848 459 HZ1 LYS 54 3HZ LYS 54 -0.516 -2.451 -10.555 460 HZ2 LYS 54 1HZ LYS 54 0.839 -3.412 -10.530 461 HZ3 LYS 54 2HZ LYS 54 -0.594 -4.056 -11.054 462 H LEU 55 H LEU 55 2.678 1.028 -7.858 463 HA LEU 55 HA LEU 55 3.675 3.175 -9.383 464 HB2 LEU 55 2HB LEU 55 3.519 2.891 -6.385 465 HB3 LEU 55 1HB LEU 55 3.754 4.399 -7.241 466 HG LEU 55 HG LEU 55 1.266 2.687 -7.390 467 HD11 LEU 55 1HD1 LEU 55 1.771 5.297 -5.965 468 HD12 LEU 55 2HD1 LEU 55 1.518 3.723 -5.203 469 HD13 LEU 55 3HD1 LEU 55 0.215 4.484 -6.112 470 HD21 LEU 55 3HD2 LEU 55 1.670 3.927 -9.431 471 HD22 LEU 55 1HD2 LEU 55 1.884 5.413 -8.504 472 HD23 LEU 55 2HD2 LEU 55 0.305 4.624 -8.551 473 H LYS 56 H LYS 56 5.661 3.704 -9.870 474 HA LYS 56 HA LYS 56 7.834 2.001 -9.257 475 HB2 LYS 56 2HB LYS 56 7.548 3.269 -11.401 476 HB3 LYS 56 1HB LYS 56 7.902 4.746 -10.546 477 HG2 LYS 56 2HG LYS 56 9.870 2.462 -10.783 478 HG3 LYS 56 1HG LYS 56 9.754 3.757 -11.958 479 HD2 LYS 56 2HD LYS 56 10.437 4.081 -9.025 480 HD3 LYS 56 1HD LYS 56 11.599 4.096 -10.351 481 HE2 LYS 56 2HE LYS 56 10.359 6.068 -11.293 482 HE3 LYS 56 1HE LYS 56 9.384 6.075 -9.827 483 HZ1 LYS 56 3HZ LYS 56 12.317 6.464 -9.980 484 HZ2 LYS 56 1HZ LYS 56 11.464 6.455 -8.538 485 HZ3 LYS 56 2HZ LYS 56 11.195 7.655 -9.674 486 H TRP 57 H TRP 57 6.832 5.118 -7.999 487 HA TRP 57 HA TRP 57 9.218 5.609 -6.589 488 HB2 TRP 57 2HB TRP 57 8.032 7.348 -5.351 489 HB3 TRP 57 1HB TRP 57 7.564 7.418 -7.037 490 HD1 TRP 57 HD TRP 57 4.956 7.207 -7.546 491 HE1 TRP 57 1HE TRP 57 2.866 6.997 -6.042 492 HE3 TRP 57 3HE TRP 57 7.252 6.253 -3.096 493 HZ2 TRP 57 2HZ TRP 57 2.288 6.486 -3.286 494 HZ3 TRP 57 3HZ TRP 57 5.894 5.925 -1.114 495 HH2 TRP 57 HH TRP 57 3.455 6.022 -1.216 496 H ILE 58 H ILE 58 6.483 3.626 -5.908 497 HA ILE 58 HA ILE 58 6.686 3.323 -3.107 498 HB ILE 58 HB ILE 58 5.536 1.665 -5.331 499 HG12 ILE 58 2HG1 ILE 58 4.363 3.702 -4.508 500 HG13 ILE 58 1HG1 ILE 58 3.394 2.250 -4.367 501 HG21 ILE 58 1HG2 ILE 58 5.485 0.831 -2.446 502 HG22 ILE 58 2HG2 ILE 58 6.365 0.036 -3.759 503 HG23 ILE 58 3HG2 ILE 58 4.610 0.080 -3.793 504 HD11 ILE 58 3HD1 ILE 58 4.946 3.512 -2.159 505 HD12 ILE 58 1HD1 ILE 58 3.892 2.103 -2.042 506 HD13 ILE 58 2HD1 ILE 58 3.236 3.702 -2.473 507 H GLN 59 H GLN 59 7.849 1.340 -5.757 508 HA GLN 59 HA GLN 59 9.014 -0.521 -3.983 509 HB2 GLN 59 2HB GLN 59 9.824 -1.633 -6.001 510 HB3 GLN 59 1HB GLN 59 8.121 -1.225 -6.095 511 HG2 GLN 59 2HG GLN 59 8.895 0.838 -7.399 512 HG3 GLN 59 1HG GLN 59 10.433 -0.013 -7.554 513 HE21 GLN 59 1HE2 GLN 59 8.869 -2.608 -7.498 514 HE22 GLN 59 2HE2 GLN 59 8.266 -2.761 -9.078 515 H GLU 60 H GLU 60 10.103 2.256 -5.659 516 HA GLU 60 HA GLU 60 12.878 1.849 -5.342 517 HB2 GLU 60 2HB GLU 60 11.995 3.317 -7.043 518 HB3 GLU 60 1HB GLU 60 11.190 4.286 -5.833 519 HG2 GLU 60 2HG GLU 60 13.418 4.955 -4.983 520 HG3 GLU 60 1HG GLU 60 14.134 4.093 -6.349 521 H TYR 61 H TYR 61 10.480 2.742 -3.231 522 HA TYR 61 HA TYR 61 12.371 4.030 -1.408 523 HB2 TYR 61 2HB TYR 61 10.515 5.442 -2.022 524 HB3 TYR 61 1HB TYR 61 9.369 4.168 -1.683 525 HD1 TYR 61 2HD TYR 61 12.108 4.868 0.657 526 HD2 TYR 61 1HD TYR 61 8.065 5.643 -0.349 527 HE1 TYR 61 2HE TYR 61 11.743 5.880 2.903 528 HE2 TYR 61 1HE TYR 61 7.656 6.619 1.827 529 HH TYR 61 HH TYR 61 10.180 7.470 3.973 530 H LEU 62 H LEU 62 9.485 2.080 -1.295 531 HA LEU 62 HA LEU 62 10.125 1.012 1.238 532 HB2 LEU 62 2HB LEU 62 8.096 0.397 -0.801 533 HB3 LEU 62 1HB LEU 62 8.172 -0.562 0.635 534 HG LEU 62 HG LEU 62 6.439 1.011 0.974 535 HD11 LEU 62 1HD1 LEU 62 7.823 0.858 2.923 536 HD12 LEU 62 2HD1 LEU 62 7.131 2.469 2.762 537 HD13 LEU 62 3HD1 LEU 62 8.820 2.196 2.350 538 HD21 LEU 62 3HD2 LEU 62 8.294 3.129 -0.059 539 HD22 LEU 62 1HD2 LEU 62 6.683 3.421 0.588 540 HD23 LEU 62 2HD2 LEU 62 6.881 2.476 -0.894 541 H GLU 63 H GLU 63 10.843 -0.076 -2.019 542 HA GLU 63 HA GLU 63 11.356 -2.682 -0.822 543 HB2 GLU 63 2HB GLU 63 10.902 -1.983 -3.716 544 HB3 GLU 63 1HB GLU 63 11.471 -3.560 -3.190 545 HG2 GLU 63 2HG GLU 63 8.854 -2.311 -2.342 546 HG3 GLU 63 1HG GLU 63 9.039 -3.480 -3.647 547 H LYS 64 H LYS 64 12.861 -0.005 -2.252 548 HA LYS 64 HA LYS 64 15.267 -1.582 -2.518 549 HB2 LYS 64 2HB LYS 64 14.547 -0.054 -4.397 550 HB3 LYS 64 1HB LYS 64 14.871 1.304 -3.340 551 HG2 LYS 64 2HG LYS 64 16.722 1.025 -4.837 552 HG3 LYS 64 1HG LYS 64 17.247 0.564 -3.213 553 HD2 LYS 64 2HD LYS 64 16.900 -1.801 -3.774 554 HD3 LYS 64 1HD LYS 64 16.355 -1.339 -5.381 555 HE2 LYS 64 2HE LYS 64 18.577 -0.357 -5.809 556 HE3 LYS 64 1HE LYS 64 19.103 -0.897 -4.217 557 HZ1 LYS 64 3HZ LYS 64 19.793 -2.484 -5.899 558 HZ2 LYS 64 1HZ LYS 64 18.209 -2.646 -6.450 559 HZ3 LYS 64 2HZ LYS 64 18.621 -3.196 -4.928 560 H ALA 65 H ALA 65 13.838 0.828 -0.514 561 HA ALA 65 HA ALA 65 16.429 1.099 0.846 562 HB1 ALA 65 1HB ALA 65 15.356 3.219 0.205 563 HB2 ALA 65 2HB ALA 65 15.561 3.083 1.952 564 HB3 ALA 65 3HB ALA 65 13.976 2.821 1.224 565 H LEU 66 H LEU 66 13.090 0.196 1.437 566 HA LEU 66 HA LEU 66 13.808 -0.506 4.161 567 HB2 LEU 66 2HB LEU 66 11.155 -0.463 2.782 568 HB3 LEU 66 1HB LEU 66 11.356 -1.216 4.335 569 HG LEU 66 HG LEU 66 10.431 0.982 4.631 570 HD11 LEU 66 1HD1 LEU 66 12.060 1.972 6.164 571 HD12 LEU 66 2HD1 LEU 66 13.309 0.919 5.512 572 HD13 LEU 66 3HD1 LEU 66 11.930 0.229 6.359 573 HD21 LEU 66 3HD2 LEU 66 11.674 3.039 3.995 574 HD22 LEU 66 1HD2 LEU 66 11.201 2.086 2.588 575 HD23 LEU 66 2HD2 LEU 66 12.859 2.037 3.172 576 H ASN 67 H ASN 67 12.923 -2.181 1.220 577 HA ASN 67 HA ASN 67 12.581 -4.653 2.616 578 HB2 ASN 67 2HB ASN 67 11.356 -4.024 0.544 579 HB3 ASN 67 1HB ASN 67 12.855 -4.234 -0.351 580 HD21 ASN 67 1HD2 ASN 67 10.301 -5.702 1.266 581 HD22 ASN 67 2HD2 ASN 67 10.585 -7.349 0.818 582 H LYS 68 H LYS 68 15.243 -3.022 1.185 583 HA LYS 68 HA LYS 68 16.961 -5.099 0.596 584 HB2 LYS 68 2HB LYS 68 18.835 -3.487 1.015 585 HB3 LYS 68 1HB LYS 68 17.553 -2.826 0.029 586 HG2 LYS 68 2HG LYS 68 16.708 -1.570 1.915 587 HG3 LYS 68 1HG LYS 68 17.921 -2.302 2.962 588 HD2 LYS 68 2HD LYS 68 18.555 -0.697 0.520 589 HD3 LYS 68 1HD LYS 68 18.483 0.008 2.148 590 HE2 LYS 68 2HE LYS 68 20.295 -1.494 2.832 591 HE3 LYS 68 1HE LYS 68 20.340 -2.205 1.221 592 HZ1 LYS 68 3HZ LYS 68 22.064 -0.549 1.502 593 HZ2 LYS 68 1HZ LYS 68 20.914 0.636 1.869 594 HZ3 LYS 68 2HZ LYS 68 20.958 -0.062 0.334 Start of MODEL 10 1 H1 LYS 1 1HT LYS 1 -23.447 -4.046 -4.212 2 H2 LYS 1 2HT LYS 1 -22.316 -5.245 -3.798 3 H3 LYS 1 3HT LYS 1 -22.620 -4.929 -5.391 4 HA LYS 1 HA LYS 1 -21.625 -2.803 -5.286 5 HB2 LYS 1 2HB LYS 1 -21.179 -3.512 -2.375 6 HB3 LYS 1 1HB LYS 1 -20.375 -2.181 -3.185 7 HG2 LYS 1 2HG LYS 1 -22.583 -1.170 -3.634 8 HG3 LYS 1 1HG LYS 1 -23.334 -2.480 -2.727 9 HD2 LYS 1 2HD LYS 1 -22.139 -1.816 -0.720 10 HD3 LYS 1 1HD LYS 1 -21.292 -0.551 -1.609 11 HE2 LYS 1 2HE LYS 1 -23.464 0.514 -2.094 12 HE3 LYS 1 1HE LYS 1 -24.270 -0.727 -1.148 13 HZ1 LYS 1 2HZ LYS 1 -22.302 1.256 -0.129 14 HZ2 LYS 1 3HZ LYS 1 -23.008 0.043 0.806 15 HZ3 LYS 1 1HZ LYS 1 -23.945 1.272 0.146 16 HA PRO 2 HA PRO 2 -17.958 -4.968 -6.470 17 HB2 PRO 2 2HB PRO 2 -16.037 -3.047 -6.332 18 HB3 PRO 2 1HB PRO 2 -17.267 -3.083 -7.598 19 HG2 PRO 2 2HG PRO 2 -17.223 -1.479 -5.067 20 HG3 PRO 2 1HG PRO 2 -17.623 -0.952 -6.708 21 HD2 PRO 2 2HD PRO 2 -19.536 -1.491 -4.931 22 HD3 PRO 2 1HD PRO 2 -19.736 -1.908 -6.641 23 H VAL 3 H VAL 3 -18.440 -4.069 -3.435 24 HA VAL 3 HA VAL 3 -15.886 -5.046 -2.394 25 HB VAL 3 HB VAL 3 -18.183 -3.680 -0.961 26 HG11 VAL 3 1HG1 VAL 3 -15.481 -4.526 0.105 27 HG12 VAL 3 2HG1 VAL 3 -17.026 -5.255 0.523 28 HG13 VAL 3 3HG1 VAL 3 -16.683 -3.585 0.986 29 HG21 VAL 3 3HG2 VAL 3 -16.620 -1.816 -0.713 30 HG22 VAL 3 1HG2 VAL 3 -16.937 -2.201 -2.414 31 HG23 VAL 3 2HG2 VAL 3 -15.427 -2.704 -1.661 32 H SER 4 H SER 4 -15.858 -7.156 -2.099 33 HA SER 4 HA SER 4 -18.143 -8.432 -0.811 34 HB2 SER 4 2HB SER 4 -16.669 -9.531 -3.213 35 HB3 SER 4 1HB SER 4 -18.007 -10.306 -2.361 36 HG SER 4 HG SER 4 -18.927 -7.993 -2.924 37 H LEU 5 H LEU 5 -17.486 -9.920 0.735 38 HA LEU 5 HA LEU 5 -14.667 -9.980 1.156 39 HB2 LEU 5 2HB LEU 5 -16.915 -10.905 2.934 40 HB3 LEU 5 1HB LEU 5 -15.235 -11.196 3.304 41 HG LEU 5 HG LEU 5 -16.019 -9.329 4.585 42 HD11 LEU 5 1HD1 LEU 5 -13.722 -9.236 3.877 43 HD12 LEU 5 2HD1 LEU 5 -14.408 -7.616 3.962 44 HD13 LEU 5 3HD1 LEU 5 -14.181 -8.395 2.397 45 HD21 LEU 5 3HD2 LEU 5 -16.774 -7.226 3.551 46 HD22 LEU 5 1HD2 LEU 5 -17.863 -8.562 3.189 47 HD23 LEU 5 2HD2 LEU 5 -16.726 -8.000 1.966 48 H SER 6 H SER 6 -14.242 -11.039 -0.592 49 HA SER 6 HA SER 6 -13.578 -13.768 -0.041 50 HB2 SER 6 2HB SER 6 -15.048 -13.024 -2.609 51 HB3 SER 6 1HB SER 6 -14.295 -14.587 -2.289 52 HG SER 6 HG SER 6 -15.937 -13.969 -0.284 53 H TYR 7 H TYR 7 -11.491 -13.260 -0.019 54 HA TYR 7 HA TYR 7 -10.367 -11.816 -2.307 55 HB2 TYR 7 2HB TYR 7 -9.129 -10.348 -0.772 56 HB3 TYR 7 1HB TYR 7 -10.873 -10.114 -0.669 57 HD1 TYR 7 2HD TYR 7 -7.960 -11.640 1.053 58 HD2 TYR 7 1HD TYR 7 -12.012 -10.397 1.420 59 HE1 TYR 7 2HE TYR 7 -7.821 -11.945 3.476 60 HE2 TYR 7 1HE TYR 7 -11.877 -10.702 3.863 61 HH TYR 7 HH TYR 7 -10.548 -11.940 5.490 62 H ARG 8 H ARG 8 -8.023 -11.674 -2.085 63 HA ARG 8 HA ARG 8 -6.969 -14.032 -0.786 64 HB2 ARG 8 2HB ARG 8 -5.427 -14.360 -2.726 65 HB3 ARG 8 1HB ARG 8 -7.109 -14.625 -3.116 66 HG2 ARG 8 2HG ARG 8 -6.429 -13.421 -4.975 67 HG3 ARG 8 1HG ARG 8 -6.963 -12.127 -3.898 68 HD2 ARG 8 2HD ARG 8 -4.871 -11.560 -4.958 69 HD3 ARG 8 1HD ARG 8 -4.685 -11.730 -3.215 70 HE ARG 8 HE ARG 8 -4.005 -14.169 -4.107 71 HH11 ARG 8 1HH1 ARG 8 -2.899 -10.929 -5.068 72 HH12 ARG 8 2HH1 ARG 8 -1.351 -11.448 -5.540 73 HH21 ARG 8 1HH2 ARG 8 -1.887 -14.867 -4.741 74 HH22 ARG 8 2HH2 ARG 8 -0.755 -13.738 -5.348 75 H CYS 9 H CYS 9 -6.988 -10.827 -0.933 76 HA CYS 9 HA CYS 9 -4.532 -10.593 0.702 77 HB2 CYS 9 2HB CYS 9 -5.433 -8.500 -1.301 78 HB3 CYS 9 1HB CYS 9 -3.942 -8.557 -0.393 79 HA PRO 10 HA PRO 10 -7.532 -8.518 3.450 80 HB2 PRO 10 2HB PRO 10 -4.956 -7.088 4.031 81 HB3 PRO 10 1HB PRO 10 -6.178 -7.691 5.158 82 HG2 PRO 10 2HG PRO 10 -3.951 -9.042 4.807 83 HG3 PRO 10 1HG PRO 10 -5.502 -9.888 4.945 84 HD2 PRO 10 2HD PRO 10 -3.833 -9.388 2.532 85 HD3 PRO 10 1HD PRO 10 -4.881 -10.769 2.913 86 H CYS 11 H CYS 11 -4.894 -6.717 1.872 87 HA CYS 11 HA CYS 11 -6.548 -4.472 1.385 88 HB2 CYS 11 2HB CYS 11 -3.866 -5.228 0.247 89 HB3 CYS 11 1HB CYS 11 -4.742 -3.799 -0.294 90 H ARG 12 H ARG 12 -8.314 -5.195 0.571 91 HA ARG 12 HA ARG 12 -8.555 -6.624 -1.898 92 HB2 ARG 12 2HB ARG 12 -10.500 -5.085 -0.194 93 HB3 ARG 12 1HB ARG 12 -10.954 -6.002 -1.628 94 HG2 ARG 12 2HG ARG 12 -10.362 -8.046 -0.634 95 HG3 ARG 12 1HG ARG 12 -9.517 -7.249 0.691 96 HD2 ARG 12 2HD ARG 12 -12.467 -6.956 0.178 97 HD3 ARG 12 1HD ARG 12 -11.782 -8.163 1.268 98 HE ARG 12 HE ARG 12 -10.767 -6.240 2.476 99 HH11 ARG 12 1HH1 ARG 12 -13.684 -5.652 0.567 100 HH12 ARG 12 2HH1 ARG 12 -14.302 -4.494 1.657 101 HH21 ARG 12 1HH2 ARG 12 -11.615 -4.630 3.903 102 HH22 ARG 12 2HH2 ARG 12 -13.107 -3.879 3.572 103 H PHE 13 H PHE 13 -8.200 -3.404 -0.893 104 HA PHE 13 HA PHE 13 -8.880 -2.365 -3.538 105 HB2 PHE 13 2HB PHE 13 -8.412 -0.903 -0.929 106 HB3 PHE 13 1HB PHE 13 -8.890 -0.173 -2.448 107 HD1 PHE 13 1HD PHE 13 -9.999 -2.202 0.396 108 HD2 PHE 13 2HD PHE 13 -11.174 -0.272 -3.205 109 HE1 PHE 13 1HE PHE 13 -12.358 -2.441 1.046 110 HE2 PHE 13 2HE PHE 13 -13.538 -0.509 -2.566 111 HZ PHE 13 HZ PHE 13 -14.128 -1.595 -0.434 112 H PHE 14 H PHE 14 -7.271 -1.432 -4.673 113 HA PHE 14 HA PHE 14 -4.770 -0.774 -3.388 114 HB2 PHE 14 2HB PHE 14 -5.041 -2.452 -5.891 115 HB3 PHE 14 1HB PHE 14 -3.586 -1.551 -5.508 116 HD1 PHE 14 2HD PHE 14 -2.811 -1.979 -2.963 117 HD2 PHE 14 1HD PHE 14 -4.984 -4.685 -5.401 118 HE1 PHE 14 2HE PHE 14 -1.949 -3.839 -1.637 119 HE2 PHE 14 1HE PHE 14 -4.130 -6.574 -4.069 120 HZ PHE 14 HZ PHE 14 -2.605 -6.155 -2.186 121 H GLU 15 H GLU 15 -4.166 1.178 -3.884 122 HA GLU 15 HA GLU 15 -5.474 2.430 -6.163 123 HB2 GLU 15 2HB GLU 15 -6.156 3.313 -3.976 124 HB3 GLU 15 1HB GLU 15 -4.513 3.730 -3.587 125 HG2 GLU 15 2HG GLU 15 -4.451 5.296 -5.475 126 HG3 GLU 15 1HG GLU 15 -6.106 4.857 -5.885 127 H SER 16 H SER 16 -4.236 3.068 -7.736 128 HA SER 16 HA SER 16 -1.348 3.039 -7.447 129 HB2 SER 16 2HB SER 16 -2.363 1.764 -9.289 130 HB3 SER 16 1HB SER 16 -3.152 3.219 -9.884 131 HG SER 16 HG SER 16 -0.919 4.058 -10.035 132 H HIS 17 H HIS 17 -3.869 5.186 -7.269 133 HA HIS 17 HA HIS 17 -2.542 7.486 -8.460 134 HB2 HIS 17 2HB HIS 17 -5.181 7.219 -7.013 135 HB3 HIS 17 1HB HIS 17 -4.507 8.760 -7.516 136 HD1 HIS 17 1HD HIS 17 -6.416 9.231 -9.119 137 HD2 HIS 17 2HD HIS 17 -4.365 5.743 -9.948 138 HE1 HIS 17 1HE HIS 17 -7.240 8.503 -11.389 139 HE2 HIS 17 2HE HIS 17 -6.285 6.201 -11.616 140 H VAL 18 H VAL 18 -1.662 5.986 -5.866 141 HA VAL 18 HA VAL 18 -1.753 8.020 -3.892 142 HB VAL 18 HB VAL 18 -0.107 5.489 -4.048 143 HG11 VAL 18 1HG1 VAL 18 0.798 7.133 -2.492 144 HG12 VAL 18 2HG1 VAL 18 0.132 5.737 -1.651 145 HG13 VAL 18 3HG1 VAL 18 -0.772 7.250 -1.706 146 HG21 VAL 18 3HG2 VAL 18 -2.745 6.020 -2.686 147 HG22 VAL 18 1HG2 VAL 18 -1.818 4.524 -2.582 148 HG23 VAL 18 2HG2 VAL 18 -2.497 5.035 -4.124 149 H ALA 19 H ALA 19 -0.390 9.655 -3.693 150 HA ALA 19 HA ALA 19 2.137 9.674 -5.193 151 HB1 ALA 19 1HB ALA 19 0.634 11.564 -5.631 152 HB2 ALA 19 2HB ALA 19 2.082 12.107 -4.779 153 HB3 ALA 19 3HB ALA 19 0.571 11.909 -3.901 154 H ARG 20 H ARG 20 4.064 9.874 -4.078 155 HA ARG 20 HA ARG 20 4.105 8.894 -1.426 156 HB2 ARG 20 2HB ARG 20 5.923 8.486 -3.023 157 HB3 ARG 20 1HB ARG 20 6.352 10.188 -2.976 158 HG2 ARG 20 2HG ARG 20 6.867 9.964 -0.567 159 HG3 ARG 20 1HG ARG 20 6.471 8.258 -0.670 160 HD2 ARG 20 2HD ARG 20 8.875 8.611 -0.784 161 HD3 ARG 20 1HD ARG 20 8.267 7.932 -2.292 162 HE ARG 20 HE ARG 20 8.227 10.516 -2.855 163 HH11 ARG 20 1HH1 ARG 20 10.773 8.596 -1.345 164 HH12 ARG 20 2HH1 ARG 20 12.050 9.541 -1.956 165 HH21 ARG 20 1HH2 ARG 20 9.953 11.812 -3.704 166 HH22 ARG 20 2HH2 ARG 20 11.558 11.429 -3.337 167 H ALA 21 H ALA 21 4.327 12.103 -2.759 168 HA ALA 21 HA ALA 21 5.154 13.406 -0.365 169 HB1 ALA 21 1HB ALA 21 4.562 15.478 -1.518 170 HB2 ALA 21 2HB ALA 21 3.709 14.556 -2.745 171 HB3 ALA 21 3HB ALA 21 5.461 14.402 -2.592 172 H ASN 22 H ASN 22 2.239 12.020 -1.283 173 HA ASN 22 HA ASN 22 0.622 13.721 0.504 174 HB2 ASN 22 2HB ASN 22 -0.085 13.097 -1.919 175 HB3 ASN 22 1HB ASN 22 -0.313 11.477 -1.293 176 HD21 ASN 22 1HD2 ASN 22 -1.425 12.475 1.254 177 HD22 ASN 22 2HD2 ASN 22 -3.012 13.061 0.883 178 H VAL 23 H VAL 23 2.357 10.844 0.372 179 HA VAL 23 HA VAL 23 0.759 9.323 2.236 180 HB VAL 23 HB VAL 23 3.549 8.783 1.149 181 HG11 VAL 23 1HG1 VAL 23 3.207 6.497 1.917 182 HG12 VAL 23 2HG1 VAL 23 1.665 6.959 2.634 183 HG13 VAL 23 3HG1 VAL 23 3.169 7.636 3.266 184 HG21 VAL 23 3HG2 VAL 23 1.859 8.773 -0.598 185 HG22 VAL 23 1HG2 VAL 23 0.883 7.652 0.346 186 HG23 VAL 23 2HG2 VAL 23 2.443 7.142 -0.289 187 H LYS 24 H LYS 24 0.891 9.479 4.407 188 HA LYS 24 HA LYS 24 2.830 11.106 5.725 189 HB2 LYS 24 2HB LYS 24 0.414 10.700 6.435 190 HB3 LYS 24 1HB LYS 24 0.892 9.077 6.800 191 HG2 LYS 24 2HG LYS 24 2.440 9.802 8.378 192 HG3 LYS 24 1HG LYS 24 2.012 11.489 8.052 193 HD2 LYS 24 2HD LYS 24 0.036 9.421 8.607 194 HD3 LYS 24 1HD LYS 24 0.868 10.290 9.918 195 HE2 LYS 24 2HE LYS 24 -0.896 11.456 7.711 196 HE3 LYS 24 1HE LYS 24 -1.390 11.221 9.368 197 HZ1 LYS 24 3HZ LYS 24 -0.783 13.511 8.956 198 HZ2 LYS 24 1HZ LYS 24 0.792 13.064 8.525 199 HZ3 LYS 24 2HZ LYS 24 0.236 12.813 10.089 200 H ARG 25 H ARG 25 1.966 7.669 5.759 201 HA ARG 25 HA ARG 25 4.717 6.846 5.946 202 HB2 ARG 25 2HB ARG 25 4.054 7.188 8.297 203 HB3 ARG 25 1HB ARG 25 2.633 6.192 8.052 204 HG2 ARG 25 2HG ARG 25 4.370 4.972 9.256 205 HG3 ARG 25 1HG ARG 25 4.060 4.240 7.682 206 HD2 ARG 25 2HD ARG 25 6.047 5.380 6.779 207 HD3 ARG 25 1HD ARG 25 6.361 6.079 8.369 208 HE ARG 25 HE ARG 25 6.266 3.486 8.933 209 HH11 ARG 25 1HH1 ARG 25 8.100 5.228 6.418 210 HH12 ARG 25 2HH1 ARG 25 9.336 4.089 6.337 211 HH21 ARG 25 1HH2 ARG 25 8.020 1.917 8.812 212 HH22 ARG 25 2HH2 ARG 25 9.280 2.135 7.708 213 H LEU 26 H LEU 26 4.934 4.654 5.220 214 HA LEU 26 HA LEU 26 2.488 3.303 4.514 215 HB2 LEU 26 2HB LEU 26 3.201 2.741 2.310 216 HB3 LEU 26 1HB LEU 26 3.225 4.477 2.464 217 HG LEU 26 HG LEU 26 5.736 2.810 2.670 218 HD11 LEU 26 1HD1 LEU 26 6.079 3.318 0.318 219 HD12 LEU 26 2HD1 LEU 26 4.488 4.078 0.255 220 HD13 LEU 26 3HD1 LEU 26 4.610 2.350 0.588 221 HD21 LEU 26 3HD2 LEU 26 5.273 5.682 1.885 222 HD22 LEU 26 1HD2 LEU 26 6.820 4.852 1.980 223 HD23 LEU 26 2HD2 LEU 26 5.901 5.157 3.465 224 H LYS 27 H LYS 27 2.864 1.066 4.026 225 HA LYS 27 HA LYS 27 5.394 -0.052 4.898 226 HB2 LYS 27 2HB LYS 27 4.083 0.072 6.914 227 HB3 LYS 27 1HB LYS 27 2.718 -0.784 6.150 228 HG2 LYS 27 2HG LYS 27 3.856 -2.298 7.589 229 HG3 LYS 27 1HG LYS 27 4.327 -2.718 5.942 230 HD2 LYS 27 2HD LYS 27 6.372 -2.712 7.186 231 HD3 LYS 27 1HD LYS 27 6.240 -1.216 6.240 232 HE2 LYS 27 2HE LYS 27 7.092 -0.806 8.515 233 HE3 LYS 27 1HE LYS 27 5.620 0.077 8.155 234 HZ1 LYS 27 3HZ LYS 27 4.371 -1.594 9.420 235 HZ2 LYS 27 1HZ LYS 27 5.564 -0.887 10.352 236 HZ3 LYS 27 2HZ LYS 27 5.808 -2.434 9.742 237 H ILE 28 H ILE 28 5.746 -2.078 3.935 238 HA ILE 28 HA ILE 28 3.693 -2.929 2.040 239 HB ILE 28 HB ILE 28 6.703 -3.140 1.830 240 HG12 ILE 28 2HG1 ILE 28 4.665 -1.650 0.177 241 HG13 ILE 28 1HG1 ILE 28 5.922 -0.970 1.191 242 HG21 ILE 28 1HG2 ILE 28 4.651 -4.298 -0.045 243 HG22 ILE 28 2HG2 ILE 28 5.759 -5.207 1.005 244 HG23 ILE 28 3HG2 ILE 28 6.394 -4.208 -0.312 245 HD11 ILE 28 3HD1 ILE 28 6.517 -0.795 -1.142 246 HD12 ILE 28 1HD1 ILE 28 6.329 -2.530 -1.355 247 HD13 ILE 28 2HD1 ILE 28 7.620 -1.903 -0.327 248 H LEU 29 H LEU 29 2.731 -4.656 2.692 249 HA LEU 29 HA LEU 29 4.052 -6.515 4.505 250 HB2 LEU 29 2HB LEU 29 1.240 -6.519 3.416 251 HB3 LEU 29 1HB LEU 29 1.858 -7.547 4.687 252 HG LEU 29 HG LEU 29 1.481 -4.556 4.859 253 HD11 LEU 29 1HD1 LEU 29 -0.622 -5.776 4.839 254 HD12 LEU 29 2HD1 LEU 29 -0.305 -5.117 6.445 255 HD13 LEU 29 3HD1 LEU 29 -0.037 -6.830 6.122 256 HD21 LEU 29 3HD2 LEU 29 3.374 -5.306 6.203 257 HD22 LEU 29 1HD2 LEU 29 2.365 -6.548 6.947 258 HD23 LEU 29 2HD2 LEU 29 2.021 -4.841 7.232 259 H ASN 30 H ASN 30 5.320 -7.911 3.433 260 HA ASN 30 HA ASN 30 4.427 -8.938 0.880 261 HB2 ASN 30 2HB ASN 30 7.005 -9.464 2.402 262 HB3 ASN 30 1HB ASN 30 6.599 -10.206 0.860 263 HD21 ASN 30 1HD2 ASN 30 6.747 -8.977 -0.995 264 HD22 ASN 30 2HD2 ASN 30 7.510 -7.434 -1.037 265 H THR 31 H THR 31 2.670 -9.972 1.486 266 HA THR 31 HA THR 31 2.759 -12.119 3.432 267 HB THR 31 HB THR 31 0.335 -12.284 2.872 268 HG1 THR 31 1HG THR 31 1.221 -11.054 0.783 269 HG21 THR 31 3HG2 THR 31 1.364 -9.496 3.471 270 HG22 THR 31 1HG2 THR 31 1.076 -10.754 4.674 271 HG23 THR 31 2HG2 THR 31 -0.274 -10.057 3.772 272 HA PRO 32 HA PRO 32 3.617 -15.201 0.271 273 HB2 PRO 32 2HB PRO 32 2.705 -17.402 1.582 274 HB3 PRO 32 1HB PRO 32 4.234 -16.616 1.984 275 HG2 PRO 32 2HG PRO 32 1.558 -16.331 3.299 276 HG3 PRO 32 1HG PRO 32 3.147 -16.540 4.055 277 HD2 PRO 32 2HD PRO 32 1.966 -14.139 3.882 278 HD3 PRO 32 1HD PRO 32 3.728 -14.313 3.720 279 H ASN 33 H ASN 33 0.506 -14.927 1.763 280 HA ASN 33 HA ASN 33 -0.957 -16.586 -0.045 281 HB2 ASN 33 2HB ASN 33 -2.952 -15.593 1.074 282 HB3 ASN 33 1HB ASN 33 -1.763 -16.254 2.199 283 HD21 ASN 33 1HD2 ASN 33 -3.256 -13.320 0.969 284 HD22 ASN 33 2HD2 ASN 33 -2.573 -12.326 2.213 285 H CYS 34 H CYS 34 -0.128 -13.236 0.101 286 HA CYS 34 HA CYS 34 -1.694 -12.775 -2.331 287 HB2 CYS 34 2HB CYS 34 -2.364 -11.362 -0.392 288 HB3 CYS 34 1HB CYS 34 -0.727 -10.812 -0.237 289 H ALA 35 H ALA 35 0.814 -10.634 -1.229 290 HA ALA 35 HA ALA 35 3.143 -11.551 -2.338 291 HB1 ALA 35 1HB ALA 35 1.646 -9.701 -4.239 292 HB2 ALA 35 2HB ALA 35 2.037 -11.387 -4.570 293 HB3 ALA 35 3HB ALA 35 3.328 -10.200 -4.395 294 H LEU 36 H LEU 36 1.662 -8.437 -2.914 295 HA LEU 36 HA LEU 36 3.040 -7.421 -0.570 296 HB2 LEU 36 2HB LEU 36 3.036 -6.172 -3.306 297 HB3 LEU 36 1HB LEU 36 3.413 -5.294 -1.851 298 HG LEU 36 HG LEU 36 5.356 -6.907 -1.553 299 HD11 LEU 36 1HD1 LEU 36 6.202 -8.011 -3.503 300 HD12 LEU 36 2HD1 LEU 36 4.721 -7.590 -4.390 301 HD13 LEU 36 3HD1 LEU 36 4.649 -8.664 -2.987 302 HD21 LEU 36 3HD2 LEU 36 6.752 -5.628 -3.082 303 HD22 LEU 36 1HD2 LEU 36 5.542 -4.613 -2.286 304 HD23 LEU 36 2HD2 LEU 36 5.299 -5.107 -3.954 305 H GLN 37 H GLN 37 1.776 -6.273 0.624 306 HA GLN 37 HA GLN 37 -0.564 -5.005 -0.617 307 HB2 GLN 37 2HB GLN 37 -0.292 -5.893 2.258 308 HB3 GLN 37 1HB GLN 37 -1.745 -5.354 1.437 309 HG2 GLN 37 2HG GLN 37 -1.745 -7.353 0.062 310 HG3 GLN 37 1HG GLN 37 -0.255 -7.893 0.834 311 HE21 GLN 37 1HE2 GLN 37 -1.070 -9.719 1.690 312 HE22 GLN 37 2HE2 GLN 37 -2.208 -9.740 2.971 313 H ILE 38 H ILE 38 -0.386 -2.837 -0.371 314 HA ILE 38 HA ILE 38 1.680 -1.876 1.499 315 HB ILE 38 HB ILE 38 0.819 -0.605 -1.085 316 HG12 ILE 38 2HG1 ILE 38 3.147 -2.496 -0.626 317 HG13 ILE 38 1HG1 ILE 38 1.703 -2.819 -1.549 318 HG21 ILE 38 1HG2 ILE 38 3.280 -0.271 0.672 319 HG22 ILE 38 2HG2 ILE 38 1.945 0.869 0.530 320 HG23 ILE 38 3HG2 ILE 38 3.004 0.576 -0.851 321 HD11 ILE 38 3HD1 ILE 38 3.685 -0.696 -2.176 322 HD12 ILE 38 1HD1 ILE 38 2.271 -1.124 -3.148 323 HD13 ILE 38 2HD1 ILE 38 3.608 -2.273 -2.958 324 H VAL 39 H VAL 39 1.173 0.162 2.505 325 HA VAL 39 HA VAL 39 -1.631 0.961 2.205 326 HB VAL 39 HB VAL 39 -1.793 1.368 4.669 327 HG11 VAL 39 1HG1 VAL 39 -2.757 -0.644 3.708 328 HG12 VAL 39 2HG1 VAL 39 -2.115 -0.978 5.314 329 HG13 VAL 39 3HG1 VAL 39 -1.218 -1.486 3.881 330 HG21 VAL 39 3HG2 VAL 39 -0.179 0.287 6.177 331 HG22 VAL 39 1HG2 VAL 39 0.600 1.516 5.188 332 HG23 VAL 39 2HG2 VAL 39 0.801 -0.188 4.787 333 H ALA 40 H ALA 40 -2.032 3.082 2.066 334 HA ALA 40 HA ALA 40 0.199 4.934 2.616 335 HB1 ALA 40 1HB ALA 40 -1.974 5.171 0.524 336 HB2 ALA 40 2HB ALA 40 -0.295 4.817 0.188 337 HB3 ALA 40 3HB ALA 40 -0.747 6.371 0.856 338 H ARG 41 H ARG 41 -0.321 5.956 4.453 339 HA ARG 41 HA ARG 41 -3.103 6.768 4.746 340 HB2 ARG 41 2HB ARG 41 -2.082 5.774 6.738 341 HB3 ARG 41 1HB ARG 41 -0.836 7.029 6.726 342 HG2 ARG 41 2HG ARG 41 -2.342 8.668 7.258 343 HG3 ARG 41 1HG ARG 41 -3.747 7.659 6.894 344 HD2 ARG 41 2HD ARG 41 -3.583 7.748 9.276 345 HD3 ARG 41 1HD ARG 41 -2.999 6.164 8.773 346 HE ARG 41 HE ARG 41 -1.227 8.403 9.488 347 HH11 ARG 41 1HH1 ARG 41 -1.982 4.957 9.642 348 HH12 ARG 41 2HH1 ARG 41 -0.700 4.564 10.662 349 HH21 ARG 41 1HH2 ARG 41 0.522 7.885 10.939 350 HH22 ARG 41 2HH2 ARG 41 0.764 6.280 11.435 351 H LEU 42 H LEU 42 -3.724 8.658 4.343 352 HA LEU 42 HA LEU 42 -1.895 10.420 3.000 353 HB2 LEU 42 2HB LEU 42 -4.696 11.039 3.853 354 HB3 LEU 42 1HB LEU 42 -3.805 12.016 2.728 355 HG LEU 42 HG LEU 42 -5.310 9.549 2.388 356 HD11 LEU 42 1HD1 LEU 42 -5.789 10.439 0.156 357 HD12 LEU 42 2HD1 LEU 42 -4.747 11.808 0.519 358 HD13 LEU 42 3HD1 LEU 42 -6.214 11.535 1.458 359 HD21 LEU 42 3HD2 LEU 42 -2.810 9.953 0.724 360 HD22 LEU 42 1HD2 LEU 42 -4.074 8.775 0.377 361 HD23 LEU 42 2HD2 LEU 42 -3.108 8.627 1.847 362 H LYS 43 H LYS 43 -1.150 12.454 3.543 363 HA LYS 43 HA LYS 43 -0.493 12.753 6.249 364 HB2 LYS 43 2HB LYS 43 -0.211 14.736 3.980 365 HB3 LYS 43 1HB LYS 43 0.515 14.926 5.556 366 HG2 LYS 43 2HG LYS 43 1.831 12.991 5.246 367 HG3 LYS 43 1HG LYS 43 1.098 12.739 3.655 368 HD2 LYS 43 2HD LYS 43 1.964 14.727 2.808 369 HD3 LYS 43 1HD LYS 43 2.412 15.323 4.416 370 HE2 LYS 43 2HE LYS 43 3.912 13.591 4.647 371 HE3 LYS 43 1HE LYS 43 3.567 12.930 3.042 372 HZ1 LYS 43 3HZ LYS 43 4.692 15.646 3.591 373 HZ2 LYS 43 1HZ LYS 43 4.369 15.036 2.061 374 HZ3 LYS 43 2HZ LYS 43 5.596 14.358 3.010 375 H ASN 44 H ASN 44 -2.850 14.464 4.203 376 HA ASN 44 HA ASN 44 -3.685 16.063 6.532 377 HB2 ASN 44 2HB ASN 44 -3.217 17.291 4.423 378 HB3 ASN 44 1HB ASN 44 -4.481 16.373 3.632 379 HD21 ASN 44 1HD2 ASN 44 -5.664 18.216 3.142 380 HD22 ASN 44 2HD2 ASN 44 -6.553 19.089 4.332 381 H ASN 45 H ASN 45 -5.020 14.056 3.974 382 HA ASN 45 HA ASN 45 -7.659 14.047 4.968 383 HB2 ASN 45 2HB ASN 45 -6.987 13.469 2.617 384 HB3 ASN 45 1HB ASN 45 -6.335 11.974 3.280 385 HD21 ASN 45 1HD2 ASN 45 -7.746 10.777 1.911 386 HD22 ASN 45 2HD2 ASN 45 -9.414 10.647 2.296 387 H ASN 46 H ASN 46 -4.837 12.185 5.572 388 HA ASN 46 HA ASN 46 -4.192 10.758 7.156 389 HB2 ASN 46 2HB ASN 46 -5.160 12.563 8.620 390 HB3 ASN 46 1HB ASN 46 -6.655 11.646 8.673 391 HD21 ASN 46 1HD2 ASN 46 -6.537 11.444 10.876 392 HD22 ASN 46 2HD2 ASN 46 -5.434 10.400 11.682 393 H ARG 47 H ARG 47 -6.432 10.033 5.163 394 HA ARG 47 HA ARG 47 -7.413 7.636 6.524 395 HB2 ARG 47 2HB ARG 47 -8.086 8.645 3.754 396 HB3 ARG 47 1HB ARG 47 -8.821 7.265 4.554 397 HG2 ARG 47 2HG ARG 47 -9.718 8.767 6.273 398 HG3 ARG 47 1HG ARG 47 -9.024 10.140 5.406 399 HD2 ARG 47 2HD ARG 47 -10.336 9.416 3.412 400 HD3 ARG 47 1HD ARG 47 -11.143 8.240 4.447 401 HE ARG 47 HE ARG 47 -11.350 10.659 5.724 402 HH11 ARG 47 1HH1 ARG 47 -12.567 9.170 2.749 403 HH12 ARG 47 2HH1 ARG 47 -13.881 10.213 2.581 404 HH21 ARG 47 1HH2 ARG 47 -13.179 12.121 5.509 405 HH22 ARG 47 2HH2 ARG 47 -14.241 11.943 4.183 406 H GLN 48 H GLN 48 -7.030 5.554 5.601 407 HA GLN 48 HA GLN 48 -4.571 5.571 4.125 408 HB2 GLN 48 2HB GLN 48 -4.190 4.817 6.296 409 HB3 GLN 48 1HB GLN 48 -5.619 3.803 6.282 410 HG2 GLN 48 2HG GLN 48 -4.682 2.373 4.727 411 HG3 GLN 48 1HG GLN 48 -3.292 3.413 4.464 412 HE21 GLN 48 1HE2 GLN 48 -4.847 1.102 6.473 413 HE22 GLN 48 2HE2 GLN 48 -3.541 0.800 7.567 414 H VAL 49 H VAL 49 -4.568 4.758 2.259 415 HA VAL 49 HA VAL 49 -6.562 2.738 1.494 416 HB VAL 49 HB VAL 49 -6.336 3.539 -0.837 417 HG11 VAL 49 1HG1 VAL 49 -7.593 5.631 -0.625 418 HG12 VAL 49 2HG1 VAL 49 -7.148 5.718 1.077 419 HG13 VAL 49 3HG1 VAL 49 -8.171 4.403 0.500 420 HG21 VAL 49 3HG2 VAL 49 -4.699 5.796 0.343 421 HG22 VAL 49 1HG2 VAL 49 -5.247 5.692 -1.332 422 HG23 VAL 49 2HG2 VAL 49 -4.092 4.516 -0.707 423 H CYS 50 H CYS 50 -5.785 0.964 0.580 424 HA CYS 50 HA CYS 50 -3.038 0.380 0.871 425 HB2 CYS 50 2HB CYS 50 -5.262 -1.074 -0.505 426 HB3 CYS 50 1HB CYS 50 -3.693 -1.791 -0.364 427 H ILE 51 H ILE 51 -1.414 0.376 -0.549 428 HA ILE 51 HA ILE 51 -1.894 1.846 -3.045 429 HB ILE 51 HB ILE 51 0.840 1.026 -2.037 430 HG12 ILE 51 2HG1 ILE 51 -0.657 3.541 -1.305 431 HG13 ILE 51 1HG1 ILE 51 -0.291 2.229 -0.191 432 HG21 ILE 51 1HG2 ILE 51 -0.187 3.253 -3.746 433 HG22 ILE 51 2HG2 ILE 51 0.679 1.825 -4.294 434 HG23 ILE 51 3HG2 ILE 51 1.507 3.032 -3.293 435 HD11 ILE 51 3HD1 ILE 51 1.363 3.964 0.181 436 HD12 ILE 51 1HD1 ILE 51 1.678 4.053 -1.560 437 HD13 ILE 51 2HD1 ILE 51 2.131 2.631 -0.654 438 H ASP 52 H ASP 52 -1.370 0.995 -5.019 439 HA ASP 52 HA ASP 52 -1.310 -1.885 -5.162 440 HB2 ASP 52 2HB ASP 52 -2.597 -0.332 -6.761 441 HB3 ASP 52 1HB ASP 52 -1.033 0.096 -7.426 442 HA PRO 53 HA PRO 53 3.155 -1.863 -5.159 443 HB2 PRO 53 2HB PRO 53 3.658 -4.415 -5.785 444 HB3 PRO 53 1HB PRO 53 2.994 -3.937 -4.230 445 HG2 PRO 53 2HG PRO 53 1.505 -4.975 -6.619 446 HG3 PRO 53 1HG PRO 53 1.351 -5.468 -4.923 447 HD2 PRO 53 2HD PRO 53 -0.384 -3.736 -6.054 448 HD3 PRO 53 1HD PRO 53 0.109 -3.601 -4.357 449 H LYS 54 H LYS 54 1.366 -1.879 -7.981 450 HA LYS 54 HA LYS 54 3.582 -2.490 -9.688 451 HB2 LYS 54 2HB LYS 54 2.184 -1.692 -11.586 452 HB3 LYS 54 1HB LYS 54 1.392 -2.933 -10.641 453 HG2 LYS 54 2HG LYS 54 -0.270 -1.358 -11.235 454 HG3 LYS 54 1HG LYS 54 0.080 -1.068 -9.540 455 HD2 LYS 54 2HD LYS 54 -0.139 1.051 -10.656 456 HD3 LYS 54 1HD LYS 54 1.562 0.797 -10.246 457 HE2 LYS 54 2HE LYS 54 1.289 1.714 -12.499 458 HE3 LYS 54 1HE LYS 54 2.050 0.131 -12.525 459 HZ1 LYS 54 3HZ LYS 54 0.352 0.371 -14.230 460 HZ2 LYS 54 1HZ LYS 54 -0.835 0.656 -13.072 461 HZ3 LYS 54 2HZ LYS 54 -0.066 -0.852 -13.177 462 H LEU 55 H LEU 55 2.774 0.174 -7.874 463 HA LEU 55 HA LEU 55 3.821 2.204 -9.535 464 HB2 LEU 55 2HB LEU 55 3.558 2.140 -6.547 465 HB3 LEU 55 1HB LEU 55 4.023 3.556 -7.460 466 HG LEU 55 HG LEU 55 1.360 2.145 -7.623 467 HD11 LEU 55 1HD1 LEU 55 2.131 4.827 -6.495 468 HD12 LEU 55 2HD1 LEU 55 1.666 3.404 -5.561 469 HD13 LEU 55 3HD1 LEU 55 0.493 4.192 -6.617 470 HD21 LEU 55 3HD2 LEU 55 1.994 3.083 -9.773 471 HD22 LEU 55 1HD2 LEU 55 2.360 4.627 -8.996 472 HD23 LEU 55 2HD2 LEU 55 0.702 4.018 -9.022 473 H LYS 56 H LYS 56 5.722 2.710 -10.052 474 HA LYS 56 HA LYS 56 7.931 1.098 -9.324 475 HB2 LYS 56 2HB LYS 56 7.543 2.122 -11.589 476 HB3 LYS 56 1HB LYS 56 7.888 3.689 -10.902 477 HG2 LYS 56 2HG LYS 56 9.898 1.425 -11.023 478 HG3 LYS 56 1HG LYS 56 9.737 2.653 -12.265 479 HD2 LYS 56 2HD LYS 56 10.252 4.366 -10.557 480 HD3 LYS 56 1HD LYS 56 10.519 3.080 -9.377 481 HE2 LYS 56 2HE LYS 56 12.317 2.172 -10.781 482 HE3 LYS 56 1HE LYS 56 12.045 3.454 -11.961 483 HZ1 LYS 56 3HZ LYS 56 13.887 4.072 -10.600 484 HZ2 LYS 56 1HZ LYS 56 13.122 3.725 -9.198 485 HZ3 LYS 56 2HZ LYS 56 12.624 5.058 -10.113 486 H TRP 57 H TRP 57 6.811 4.336 -8.362 487 HA TRP 57 HA TRP 57 9.229 5.000 -7.052 488 HB2 TRP 57 2HB TRP 57 8.094 6.862 -5.977 489 HB3 TRP 57 1HB TRP 57 7.509 6.757 -7.623 490 HD1 TRP 57 HD TRP 57 4.880 6.556 -7.916 491 HE1 TRP 57 1HE TRP 57 2.889 6.522 -6.249 492 HE3 TRP 57 3HE TRP 57 7.449 5.949 -3.541 493 HZ2 TRP 57 2HZ TRP 57 2.483 6.252 -3.408 494 HZ3 TRP 57 3HZ TRP 57 6.202 5.805 -1.446 495 HH2 TRP 57 HH TRP 57 3.756 5.946 -1.416 496 H ILE 58 H ILE 58 6.477 3.170 -6.101 497 HA ILE 58 HA ILE 58 6.836 3.052 -3.314 498 HB ILE 58 HB ILE 58 5.564 1.272 -5.360 499 HG12 ILE 58 2HG1 ILE 58 4.449 3.343 -4.554 500 HG13 ILE 58 1HG1 ILE 58 3.476 1.922 -4.256 501 HG21 ILE 58 1HG2 ILE 58 5.678 0.571 -2.450 502 HG22 ILE 58 2HG2 ILE 58 6.524 -0.279 -3.752 503 HG23 ILE 58 3HG2 ILE 58 4.758 -0.259 -3.705 504 HD11 ILE 58 3HD1 ILE 58 5.170 3.369 -2.269 505 HD12 ILE 58 1HD1 ILE 58 4.279 1.882 -1.965 506 HD13 ILE 58 2HD1 ILE 58 3.416 3.357 -2.389 507 H GLN 59 H GLN 59 7.950 0.844 -5.835 508 HA GLN 59 HA GLN 59 9.353 -0.676 -3.935 509 HB2 GLN 59 2HB GLN 59 10.264 -1.950 -5.872 510 HB3 GLN 59 1HB GLN 59 8.515 -1.842 -5.784 511 HG2 GLN 59 2HG GLN 59 8.562 -0.089 -7.487 512 HG3 GLN 59 1HG GLN 59 10.314 -0.266 -7.601 513 HE21 GLN 59 1HE2 GLN 59 8.166 -2.969 -7.042 514 HE22 GLN 59 2HE2 GLN 59 8.393 -3.693 -8.566 515 H GLU 60 H GLU 60 10.141 1.962 -5.931 516 HA GLU 60 HA GLU 60 12.957 1.742 -5.656 517 HB2 GLU 60 2HB GLU 60 11.930 2.963 -7.516 518 HB3 GLU 60 1HB GLU 60 11.153 4.051 -6.391 519 HG2 GLU 60 2HG GLU 60 12.988 5.150 -7.475 520 HG3 GLU 60 1HG GLU 60 13.357 4.935 -5.765 521 H TYR 61 H TYR 61 10.483 2.921 -3.692 522 HA TYR 61 HA TYR 61 12.423 4.433 -2.159 523 HB2 TYR 61 2HB TYR 61 10.565 5.763 -2.838 524 HB3 TYR 61 1HB TYR 61 9.424 4.567 -2.243 525 HD1 TYR 61 2HD TYR 61 12.388 6.264 -0.831 526 HD2 TYR 61 1HD TYR 61 8.296 5.303 -0.454 527 HE1 TYR 61 2HE TYR 61 12.338 7.462 1.339 528 HE2 TYR 61 1HE TYR 61 8.194 6.471 1.726 529 HH TYR 61 HH TYR 61 10.784 8.492 2.772 530 H LEU 62 H LEU 62 9.647 2.288 -1.620 531 HA LEU 62 HA LEU 62 10.405 1.978 1.072 532 HB2 LEU 62 2HB LEU 62 8.083 1.654 -0.322 533 HB3 LEU 62 1HB LEU 62 8.645 0.042 -0.273 534 HG LEU 62 HG LEU 62 7.062 0.585 1.544 535 HD11 LEU 62 1HD1 LEU 62 8.533 -1.375 1.729 536 HD12 LEU 62 2HD1 LEU 62 8.317 -0.616 3.306 537 HD13 LEU 62 3HD1 LEU 62 9.811 -0.364 2.398 538 HD21 LEU 62 3HD2 LEU 62 9.394 2.088 2.645 539 HD22 LEU 62 1HD2 LEU 62 7.868 1.793 3.496 540 HD23 LEU 62 2HD2 LEU 62 7.908 2.793 2.029 541 H GLU 63 H GLU 63 11.071 0.404 -1.908 542 HA GLU 63 HA GLU 63 11.885 -1.957 -0.387 543 HB2 GLU 63 2HB GLU 63 11.284 -1.698 -3.312 544 HB3 GLU 63 1HB GLU 63 11.987 -3.152 -2.610 545 HG2 GLU 63 2HG GLU 63 9.335 -1.948 -1.830 546 HG3 GLU 63 1HG GLU 63 9.546 -3.295 -2.944 547 H LYS 64 H LYS 64 13.177 0.608 -2.275 548 HA LYS 64 HA LYS 64 15.675 -0.845 -2.157 549 HB2 LYS 64 2HB LYS 64 15.092 -0.131 -4.423 550 HB3 LYS 64 1HB LYS 64 14.992 1.539 -3.891 551 HG2 LYS 64 2HG LYS 64 17.377 1.540 -3.393 552 HG3 LYS 64 1HG LYS 64 17.484 -0.154 -3.858 553 HD2 LYS 64 2HD LYS 64 16.806 0.434 -6.138 554 HD3 LYS 64 1HD LYS 64 16.706 2.130 -5.668 555 HE2 LYS 64 2HE LYS 64 18.824 1.628 -6.807 556 HE3 LYS 64 1HE LYS 64 19.084 2.150 -5.147 557 HZ1 LYS 64 3HZ LYS 64 19.413 -0.112 -4.486 558 HZ2 LYS 64 1HZ LYS 64 20.454 0.236 -5.748 559 HZ3 LYS 64 2HZ LYS 64 19.091 -0.701 -6.037 560 H ALA 65 H ALA 65 14.042 1.938 -0.945 561 HA ALA 65 HA ALA 65 16.600 2.893 0.096 562 HB1 ALA 65 1HB ALA 65 15.173 4.576 -1.008 563 HB2 ALA 65 2HB ALA 65 15.483 4.982 0.685 564 HB3 ALA 65 3HB ALA 65 13.931 4.285 0.212 565 H LEU 66 H LEU 66 13.473 1.792 1.226 566 HA LEU 66 HA LEU 66 14.306 2.050 4.011 567 HB2 LEU 66 2HB LEU 66 11.810 1.262 2.652 568 HB3 LEU 66 1HB LEU 66 11.981 0.756 4.300 569 HG LEU 66 HG LEU 66 10.650 2.767 4.212 570 HD11 LEU 66 1HD1 LEU 66 11.898 4.321 5.588 571 HD12 LEU 66 2HD1 LEU 66 13.400 3.494 5.177 572 HD13 LEU 66 3HD1 LEU 66 12.150 2.650 6.085 573 HD21 LEU 66 3HD2 LEU 66 11.459 4.872 3.245 574 HD22 LEU 66 1HD2 LEU 66 11.342 3.610 2.021 575 HD23 LEU 66 2HD2 LEU 66 12.914 4.053 2.684 576 H ASN 67 H ASN 67 13.666 -0.488 1.741 577 HA ASN 67 HA ASN 67 13.928 -2.526 3.779 578 HB2 ASN 67 2HB ASN 67 12.190 -2.377 1.904 579 HB3 ASN 67 1HB ASN 67 13.488 -2.823 0.853 580 HD21 ASN 67 1HD2 ASN 67 11.016 -4.084 1.624 581 HD22 ASN 67 2HD2 ASN 67 11.376 -5.714 2.065 582 H LYS 68 H LYS 68 15.835 -1.201 1.135 583 HA LYS 68 HA LYS 68 17.484 -3.593 1.132 584 HB2 LYS 68 2HB LYS 68 16.559 -2.530 -0.996 585 HB3 LYS 68 1HB LYS 68 17.710 -1.247 -0.713 586 HG2 LYS 68 2HG LYS 68 19.564 -2.743 -0.919 587 HG3 LYS 68 1HG LYS 68 18.483 -4.133 -1.035 588 HD2 LYS 68 2HD LYS 68 17.502 -3.135 -3.080 589 HD3 LYS 68 1HD LYS 68 18.707 -1.855 -2.992 590 HE2 LYS 68 2HE LYS 68 19.272 -4.803 -3.270 591 HE3 LYS 68 1HE LYS 68 19.344 -3.612 -4.567 592 HZ1 LYS 68 3HZ LYS 68 21.100 -3.726 -2.168 593 HZ2 LYS 68 1HZ LYS 68 21.115 -2.489 -3.322 594 HZ3 LYS 68 2HZ LYS 68 21.510 -4.051 -3.769 Start of MODEL 11 1 H1 LYS 1 1HT LYS 1 -15.503 0.860 -2.109 2 H2 LYS 1 2HT LYS 1 -15.558 1.590 -0.591 3 H3 LYS 1 3HT LYS 1 -16.700 2.005 -1.733 4 HA LYS 1 HA LYS 1 -17.601 0.560 -0.059 5 HB2 LYS 1 2HB LYS 1 -17.285 -0.785 -2.752 6 HB3 LYS 1 1HB LYS 1 -18.417 -1.315 -1.530 7 HG2 LYS 1 2HG LYS 1 -19.546 0.871 -1.687 8 HG3 LYS 1 1HG LYS 1 -18.435 1.312 -2.988 9 HD2 LYS 1 2HD LYS 1 -20.534 0.482 -3.933 10 HD3 LYS 1 1HD LYS 1 -19.187 -0.621 -4.258 11 HE2 LYS 1 2HE LYS 1 -19.907 -2.132 -2.529 12 HE3 LYS 1 1HE LYS 1 -21.157 -1.002 -2.007 13 HZ1 LYS 1 2HZ LYS 1 -21.992 -2.862 -3.372 14 HZ2 LYS 1 3HZ LYS 1 -21.087 -2.313 -4.680 15 HZ3 LYS 1 1HZ LYS 1 -22.319 -1.364 -4.048 16 HA PRO 2 HA PRO 2 -14.360 -2.285 1.289 17 HB2 PRO 2 2HB PRO 2 -15.604 -2.164 3.899 18 HB3 PRO 2 1HB PRO 2 -14.010 -1.576 3.428 19 HG2 PRO 2 2HG PRO 2 -16.119 0.048 4.126 20 HG3 PRO 2 1HG PRO 2 -14.760 0.563 3.122 21 HD2 PRO 2 2HD PRO 2 -17.523 -0.217 2.329 22 HD3 PRO 2 1HD PRO 2 -16.436 0.996 1.618 23 H VAL 3 H VAL 3 -15.347 -3.914 0.099 24 HA VAL 3 HA VAL 3 -17.403 -5.423 1.544 25 HB VAL 3 HB VAL 3 -18.183 -6.310 -0.644 26 HG11 VAL 3 1HG1 VAL 3 -19.340 -4.418 0.332 27 HG12 VAL 3 2HG1 VAL 3 -19.299 -4.268 -1.423 28 HG13 VAL 3 3HG1 VAL 3 -18.203 -3.305 -0.431 29 HG21 VAL 3 3HG2 VAL 3 -16.284 -4.276 -1.829 30 HG22 VAL 3 1HG2 VAL 3 -17.477 -5.207 -2.731 31 HG23 VAL 3 2HG2 VAL 3 -16.128 -6.029 -1.941 32 H SER 4 H SER 4 -17.211 -7.643 1.598 33 HA SER 4 HA SER 4 -14.480 -8.558 1.123 34 HB2 SER 4 2HB SER 4 -16.627 -9.764 2.874 35 HB3 SER 4 1HB SER 4 -14.951 -10.289 2.764 36 HG SER 4 HG SER 4 -15.941 -7.825 3.703 37 H LEU 5 H LEU 5 -14.390 -9.442 -0.868 38 HA LEU 5 HA LEU 5 -16.539 -11.096 -1.880 39 HB2 LEU 5 2HB LEU 5 -15.105 -9.811 -3.444 40 HB3 LEU 5 1HB LEU 5 -13.708 -10.702 -2.884 41 HG LEU 5 HG LEU 5 -14.696 -12.769 -3.790 42 HD11 LEU 5 1HD1 LEU 5 -17.039 -12.176 -3.758 43 HD12 LEU 5 2HD1 LEU 5 -16.546 -12.616 -5.391 44 HD13 LEU 5 3HD1 LEU 5 -16.762 -10.919 -4.965 45 HD21 LEU 5 3HD2 LEU 5 -13.045 -11.536 -5.072 46 HD22 LEU 5 1HD2 LEU 5 -14.308 -10.517 -5.753 47 HD23 LEU 5 2HD2 LEU 5 -14.251 -12.234 -6.152 48 H SER 6 H SER 6 -13.119 -11.675 -1.301 49 HA SER 6 HA SER 6 -13.572 -13.923 0.390 50 HB2 SER 6 2HB SER 6 -12.192 -14.249 -2.300 51 HB3 SER 6 1HB SER 6 -12.286 -15.486 -1.046 52 HG SER 6 HG SER 6 -14.727 -14.631 -1.498 53 H TYR 7 H TYR 7 -12.117 -13.329 1.989 54 HA TYR 7 HA TYR 7 -9.938 -11.823 1.086 55 HB2 TYR 7 2HB TYR 7 -11.116 -12.134 3.739 56 HB3 TYR 7 1HB TYR 7 -9.410 -11.696 3.641 57 HD1 TYR 7 2HD TYR 7 -9.133 -10.007 1.444 58 HD2 TYR 7 1HD TYR 7 -12.418 -10.208 4.118 59 HE1 TYR 7 2HE TYR 7 -9.620 -7.683 0.965 60 HE2 TYR 7 1HE TYR 7 -12.962 -7.843 3.620 61 HH TYR 7 HH TYR 7 -11.881 -5.839 2.772 62 H ARG 8 H ARG 8 -8.901 -12.983 0.026 63 HA ARG 8 HA ARG 8 -7.207 -15.103 1.122 64 HB2 ARG 8 2HB ARG 8 -6.492 -15.287 -1.268 65 HB3 ARG 8 1HB ARG 8 -8.234 -15.469 -1.047 66 HG2 ARG 8 2HG ARG 8 -8.514 -13.070 -1.645 67 HG3 ARG 8 1HG ARG 8 -6.789 -12.999 -1.978 68 HD2 ARG 8 2HD ARG 8 -8.805 -14.738 -3.304 69 HD3 ARG 8 1HD ARG 8 -8.158 -13.215 -3.917 70 HE ARG 8 HE ARG 8 -5.969 -14.846 -3.404 71 HH11 ARG 8 1HH1 ARG 8 -8.743 -14.937 -5.611 72 HH12 ARG 8 2HH1 ARG 8 -7.913 -15.807 -6.820 73 HH21 ARG 8 1HH2 ARG 8 -4.869 -16.049 -5.037 74 HH22 ARG 8 2HH2 ARG 8 -5.658 -16.490 -6.479 75 H CYS 9 H CYS 9 -7.316 -11.900 0.448 76 HA CYS 9 HA CYS 9 -4.482 -11.365 0.948 77 HB2 CYS 9 2HB CYS 9 -6.107 -10.066 -1.259 78 HB3 CYS 9 1HB CYS 9 -4.427 -9.750 -0.848 79 HA PRO 10 HA PRO 10 -6.714 -8.528 3.618 80 HB2 PRO 10 2HB PRO 10 -4.368 -6.775 3.675 81 HB3 PRO 10 1HB PRO 10 -5.096 -7.699 4.990 82 HG2 PRO 10 2HG PRO 10 -2.710 -8.365 3.916 83 HG3 PRO 10 1HG PRO 10 -3.842 -9.569 4.550 84 HD2 PRO 10 2HD PRO 10 -3.284 -8.808 1.707 85 HD3 PRO 10 1HD PRO 10 -3.585 -10.407 2.414 86 H CYS 11 H CYS 11 -4.992 -7.043 0.917 87 HA CYS 11 HA CYS 11 -6.790 -4.801 1.232 88 HB2 CYS 11 2HB CYS 11 -4.366 -5.101 -0.518 89 HB3 CYS 11 1HB CYS 11 -5.436 -3.712 -0.650 90 H ARG 12 H ARG 12 -5.843 -6.773 -1.582 91 HA ARG 12 HA ARG 12 -6.912 -7.351 -3.467 92 HB2 ARG 12 2HB ARG 12 -8.702 -8.311 -2.146 93 HB3 ARG 12 1HB ARG 12 -9.424 -6.725 -1.897 94 HG2 ARG 12 2HG ARG 12 -9.789 -6.575 -4.346 95 HG3 ARG 12 1HG ARG 12 -9.229 -8.242 -4.486 96 HD2 ARG 12 2HD ARG 12 -11.020 -8.995 -3.076 97 HD3 ARG 12 1HD ARG 12 -11.520 -7.322 -2.793 98 HE ARG 12 HE ARG 12 -11.469 -8.213 -5.542 99 HH11 ARG 12 1HH1 ARG 12 -13.421 -7.564 -2.665 100 HH12 ARG 12 2HH1 ARG 12 -14.897 -7.453 -3.536 101 HH21 ARG 12 1HH2 ARG 12 -13.449 -8.071 -6.699 102 HH22 ARG 12 2HH2 ARG 12 -14.920 -7.767 -5.879 103 H PHE 13 H PHE 13 -8.092 -4.390 -2.067 104 HA PHE 13 HA PHE 13 -8.488 -3.196 -4.719 105 HB2 PHE 13 2HB PHE 13 -9.133 -2.087 -1.970 106 HB3 PHE 13 1HB PHE 13 -9.593 -1.385 -3.512 107 HD1 PHE 13 2HD PHE 13 -11.292 -2.552 -4.924 108 HD2 PHE 13 1HD PHE 13 -10.424 -3.765 -0.937 109 HE1 PHE 13 2HE PHE 13 -13.422 -3.777 -4.832 110 HE2 PHE 13 1HE PHE 13 -12.550 -4.993 -0.843 111 HZ PHE 13 HZ PHE 13 -14.053 -4.999 -2.793 112 H PHE 14 H PHE 14 -7.218 -1.517 -5.337 113 HA PHE 14 HA PHE 14 -5.123 -0.600 -3.531 114 HB2 PHE 14 2HB PHE 14 -4.699 -1.674 -6.309 115 HB3 PHE 14 1HB PHE 14 -3.504 -0.772 -5.396 116 HD1 PHE 14 2HD PHE 14 -2.962 -1.706 -3.066 117 HD2 PHE 14 1HD PHE 14 -4.688 -3.982 -6.195 118 HE1 PHE 14 2HE PHE 14 -2.098 -3.694 -2.051 119 HE2 PHE 14 1HE PHE 14 -3.838 -6.040 -5.174 120 HZ PHE 14 HZ PHE 14 -2.528 -5.920 -3.085 121 H GLU 15 H GLU 15 -4.540 1.478 -3.875 122 HA GLU 15 HA GLU 15 -5.829 2.872 -6.088 123 HB2 GLU 15 2HB GLU 15 -6.373 3.726 -3.810 124 HB3 GLU 15 1HB GLU 15 -4.679 4.020 -3.517 125 HG2 GLU 15 2HG GLU 15 -4.604 5.610 -5.351 126 HG3 GLU 15 1HG GLU 15 -6.318 5.338 -5.685 127 H SER 16 H SER 16 -4.543 3.399 -7.738 128 HA SER 16 HA SER 16 -1.659 3.316 -7.408 129 HB2 SER 16 2HB SER 16 -1.786 3.458 -9.927 130 HB3 SER 16 1HB SER 16 -2.576 2.044 -9.222 131 HG SER 16 HG SER 16 -3.865 3.063 -10.789 132 H HIS 17 H HIS 17 -3.779 5.463 -6.716 133 HA HIS 17 HA HIS 17 -2.785 7.750 -8.286 134 HB2 HIS 17 2HB HIS 17 -5.158 7.647 -6.396 135 HB3 HIS 17 1HB HIS 17 -4.725 8.991 -7.436 136 HD1 HIS 17 1HD HIS 17 -7.524 8.001 -7.786 137 HD2 HIS 17 2HD HIS 17 -4.343 6.264 -9.849 138 HE1 HIS 17 1HE HIS 17 -8.535 6.871 -9.742 139 HE2 HIS 17 2HE HIS 17 -6.646 5.573 -10.762 140 H VAL 18 H VAL 18 -1.793 6.244 -5.643 141 HA VAL 18 HA VAL 18 -1.756 8.298 -3.700 142 HB VAL 18 HB VAL 18 -0.085 5.785 -3.877 143 HG11 VAL 18 1HG1 VAL 18 0.779 7.447 -2.311 144 HG12 VAL 18 2HG1 VAL 18 0.152 6.026 -1.468 145 HG13 VAL 18 3HG1 VAL 18 -0.790 7.517 -1.522 146 HG21 VAL 18 3HG2 VAL 18 -2.744 6.248 -2.531 147 HG22 VAL 18 1HG2 VAL 18 -1.765 4.790 -2.392 148 HG23 VAL 18 2HG2 VAL 18 -2.449 5.242 -3.949 149 H ALA 19 H ALA 19 -0.271 9.796 -3.309 150 HA ALA 19 HA ALA 19 2.099 9.958 -5.044 151 HB1 ALA 19 1HB ALA 19 0.442 11.749 -5.388 152 HB2 ALA 19 2HB ALA 19 1.942 12.368 -4.687 153 HB3 ALA 19 3HB ALA 19 0.534 12.128 -3.664 154 H ARG 20 H ARG 20 4.037 9.960 -4.016 155 HA ARG 20 HA ARG 20 4.254 9.199 -1.339 156 HB2 ARG 20 2HB ARG 20 5.986 8.634 -2.876 157 HB3 ARG 20 1HB ARG 20 6.367 10.308 -3.193 158 HG2 ARG 20 2HG ARG 20 7.182 10.553 -0.887 159 HG3 ARG 20 1HG ARG 20 6.756 8.876 -0.570 160 HD2 ARG 20 2HD ARG 20 8.356 8.099 -2.159 161 HD3 ARG 20 1HD ARG 20 8.713 9.743 -2.718 162 HE ARG 20 HE ARG 20 9.219 9.604 0.006 163 HH11 ARG 20 1HH1 ARG 20 10.549 8.196 -2.972 164 HH12 ARG 20 2HH1 ARG 20 12.114 8.015 -2.366 165 HH21 ARG 20 1HH2 ARG 20 11.345 9.368 0.845 166 HH22 ARG 20 2HH2 ARG 20 12.599 8.696 -0.092 167 H ALA 21 H ALA 21 4.277 12.407 -2.699 168 HA ALA 21 HA ALA 21 5.402 13.706 -0.445 169 HB1 ALA 21 1HB ALA 21 4.583 15.771 -1.435 170 HB2 ALA 21 2HB ALA 21 3.545 14.856 -2.522 171 HB3 ALA 21 3HB ALA 21 5.298 14.742 -2.678 172 H ASN 22 H ASN 22 2.226 12.515 -1.112 173 HA ASN 22 HA ASN 22 1.061 14.055 1.089 174 HB2 ASN 22 2HB ASN 22 -0.151 13.969 -1.072 175 HB3 ASN 22 1HB ASN 22 -0.239 12.224 -0.938 176 HD21 ASN 22 1HD2 ASN 22 -2.418 12.216 -1.015 177 HD22 ASN 22 2HD2 ASN 22 -3.462 12.756 0.237 178 H VAL 23 H VAL 23 2.558 11.151 0.543 179 HA VAL 23 HA VAL 23 1.018 9.590 2.411 180 HB VAL 23 HB VAL 23 3.738 8.985 1.191 181 HG11 VAL 23 1HG1 VAL 23 3.248 6.676 1.870 182 HG12 VAL 23 2HG1 VAL 23 1.816 7.234 2.722 183 HG13 VAL 23 3HG1 VAL 23 3.416 7.747 3.268 184 HG21 VAL 23 3HG2 VAL 23 1.966 9.138 -0.459 185 HG22 VAL 23 1HG2 VAL 23 0.983 8.023 0.481 186 HG23 VAL 23 2HG2 VAL 23 2.488 7.470 -0.243 187 H LYS 24 H LYS 24 1.189 9.655 4.505 188 HA LYS 24 HA LYS 24 3.321 11.143 5.786 189 HB2 LYS 24 2HB LYS 24 0.854 11.267 6.597 190 HB3 LYS 24 1HB LYS 24 1.057 9.573 7.027 191 HG2 LYS 24 2HG LYS 24 2.543 10.212 8.652 192 HG3 LYS 24 1HG LYS 24 2.576 11.875 8.036 193 HD2 LYS 24 2HD LYS 24 0.156 12.046 8.401 194 HD3 LYS 24 1HD LYS 24 0.168 10.428 9.111 195 HE2 LYS 24 2HE LYS 24 1.831 11.132 10.533 196 HE3 LYS 24 1HE LYS 24 1.676 12.800 9.971 197 HZ1 LYS 24 3HZ LYS 24 -0.676 12.803 10.699 198 HZ2 LYS 24 1HZ LYS 24 0.299 12.493 12.037 199 HZ3 LYS 24 2HZ LYS 24 -0.513 11.235 11.287 200 H ARG 25 H ARG 25 1.873 7.969 6.047 201 HA ARG 25 HA ARG 25 4.458 6.734 6.635 202 HB2 ARG 25 2HB ARG 25 3.458 7.085 8.796 203 HB3 ARG 25 1HB ARG 25 1.903 6.491 8.239 204 HG2 ARG 25 2HG ARG 25 2.998 4.864 9.678 205 HG3 ARG 25 1HG ARG 25 2.845 4.239 8.036 206 HD2 ARG 25 2HD ARG 25 5.165 4.866 7.610 207 HD3 ARG 25 1HD ARG 25 5.323 5.419 9.282 208 HE ARG 25 HE ARG 25 4.405 2.838 9.397 209 HH11 ARG 25 1HH1 ARG 25 7.276 4.454 8.109 210 HH12 ARG 25 2HH1 ARG 25 8.296 3.114 8.325 211 HH21 ARG 25 1HH2 ARG 25 5.823 0.998 9.718 212 HH22 ARG 25 2HH2 ARG 25 7.459 1.111 9.273 213 H LEU 26 H LEU 26 4.702 4.809 5.495 214 HA LEU 26 HA LEU 26 2.289 3.417 4.825 215 HB2 LEU 26 2HB LEU 26 2.694 3.113 2.544 216 HB3 LEU 26 1HB LEU 26 2.838 4.819 2.812 217 HG LEU 26 HG LEU 26 5.157 2.928 2.417 218 HD11 LEU 26 1HD1 LEU 26 5.165 3.968 0.153 219 HD12 LEU 26 2HD1 LEU 26 3.658 4.761 0.598 220 HD13 LEU 26 3HD1 LEU 26 3.713 3.011 0.555 221 HD21 LEU 26 3HD2 LEU 26 5.060 5.931 2.186 222 HD22 LEU 26 1HD2 LEU 26 6.457 4.889 1.995 223 HD23 LEU 26 2HD2 LEU 26 5.730 5.086 3.603 224 H LYS 27 H LYS 27 2.711 1.228 4.054 225 HA LYS 27 HA LYS 27 5.276 0.106 4.829 226 HB2 LYS 27 2HB LYS 27 3.917 0.173 6.937 227 HB3 LYS 27 1HB LYS 27 2.663 -0.682 6.062 228 HG2 LYS 27 2HG LYS 27 3.623 -2.320 7.403 229 HG3 LYS 27 1HG LYS 27 4.310 -2.588 5.814 230 HD2 LYS 27 2HD LYS 27 5.655 -1.095 8.046 231 HD3 LYS 27 1HD LYS 27 5.922 -2.808 7.713 232 HE2 LYS 27 2HE LYS 27 6.763 -2.130 5.460 233 HE3 LYS 27 1HE LYS 27 6.597 -0.447 5.971 234 HZ1 LYS 27 3HZ LYS 27 8.385 -2.477 7.172 235 HZ2 LYS 27 1HZ LYS 27 8.180 -0.916 7.773 236 HZ3 LYS 27 2HZ LYS 27 8.838 -1.159 6.251 237 H ILE 28 H ILE 28 5.688 -1.651 3.591 238 HA ILE 28 HA ILE 28 3.549 -2.684 1.874 239 HB ILE 28 HB ILE 28 6.554 -3.048 1.706 240 HG12 ILE 28 2HG1 ILE 28 4.666 -1.413 0.009 241 HG13 ILE 28 1HG1 ILE 28 5.996 -0.843 1.001 242 HG21 ILE 28 1HG2 ILE 28 4.445 -4.078 -0.163 243 HG22 ILE 28 2HG2 ILE 28 5.495 -5.048 0.892 244 HG23 ILE 28 3HG2 ILE 28 6.186 -4.119 -0.446 245 HD11 ILE 28 3HD1 ILE 28 6.578 -0.799 -1.353 246 HD12 ILE 28 1HD1 ILE 28 6.252 -2.529 -1.478 247 HD13 ILE 28 2HD1 ILE 28 7.587 -1.949 -0.479 248 H LEU 29 H LEU 29 2.613 -4.503 2.539 249 HA LEU 29 HA LEU 29 4.113 -6.283 4.323 250 HB2 LEU 29 2HB LEU 29 1.172 -6.186 3.673 251 HB3 LEU 29 1HB LEU 29 1.926 -7.346 4.738 252 HG LEU 29 HG LEU 29 1.737 -4.374 5.215 253 HD11 LEU 29 1HD1 LEU 29 -0.395 -5.532 5.404 254 HD12 LEU 29 2HD1 LEU 29 0.184 -5.043 7.001 255 HD13 LEU 29 3HD1 LEU 29 0.335 -6.722 6.479 256 HD21 LEU 29 3HD2 LEU 29 3.776 -5.324 6.182 257 HD22 LEU 29 1HD2 LEU 29 2.821 -6.598 6.942 258 HD23 LEU 29 2HD2 LEU 29 2.612 -4.918 7.443 259 H ASN 30 H ASN 30 5.192 -7.726 3.189 260 HA ASN 30 HA ASN 30 4.085 -8.766 0.725 261 HB2 ASN 30 2HB ASN 30 6.711 -9.360 2.118 262 HB3 ASN 30 1HB ASN 30 6.223 -10.070 0.590 263 HD21 ASN 30 1HD2 ASN 30 6.220 -8.765 -1.243 264 HD22 ASN 30 2HD2 ASN 30 7.073 -7.267 -1.308 265 H THR 31 H THR 31 2.291 -9.888 1.464 266 HA THR 31 HA THR 31 2.628 -11.878 3.482 267 HB THR 31 HB THR 31 0.268 -12.472 2.878 268 HG1 THR 31 1HG THR 31 0.961 -10.888 0.776 269 HG21 THR 31 3HG2 THR 31 0.781 -9.523 3.340 270 HG22 THR 31 1HG2 THR 31 0.708 -10.760 4.596 271 HG23 THR 31 2HG2 THR 31 -0.736 -10.357 3.667 272 HA PRO 32 HA PRO 32 4.150 -14.934 0.563 273 HB2 PRO 32 2HB PRO 32 3.848 -17.120 2.190 274 HB3 PRO 32 1HB PRO 32 5.200 -15.992 2.334 275 HG2 PRO 32 2HG PRO 32 2.663 -16.121 3.922 276 HG3 PRO 32 1HG PRO 32 4.317 -15.845 4.491 277 HD2 PRO 32 2HD PRO 32 2.563 -13.841 4.195 278 HD3 PRO 32 1HD PRO 32 4.292 -13.617 3.858 279 H ASN 33 H ASN 33 1.142 -14.931 2.129 280 HA ASN 33 HA ASN 33 -0.051 -17.100 0.667 281 HB2 ASN 33 2HB ASN 33 -2.151 -16.368 1.788 282 HB3 ASN 33 1HB ASN 33 -0.829 -16.671 2.914 283 HD21 ASN 33 1HD2 ASN 33 -2.893 -14.228 1.491 284 HD22 ASN 33 2HD2 ASN 33 -2.387 -12.980 2.561 285 H CYS 34 H CYS 34 0.057 -13.578 0.358 286 HA CYS 34 HA CYS 34 -1.547 -13.934 -2.083 287 HB2 CYS 34 2HB CYS 34 -2.509 -12.342 -0.176 288 HB3 CYS 34 1HB CYS 34 -1.204 -11.380 -0.614 289 H ALA 35 H ALA 35 0.360 -11.179 -1.008 290 HA ALA 35 HA ALA 35 2.518 -11.191 -2.760 291 HB1 ALA 35 1HB ALA 35 0.018 -9.705 -3.642 292 HB2 ALA 35 2HB ALA 35 0.773 -11.031 -4.525 293 HB3 ALA 35 3HB ALA 35 1.626 -9.499 -4.345 294 H LEU 36 H LEU 36 2.389 -8.410 -3.102 295 HA LEU 36 HA LEU 36 2.583 -7.705 -0.323 296 HB2 LEU 36 2HB LEU 36 3.832 -5.705 -1.164 297 HB3 LEU 36 1HB LEU 36 4.620 -7.260 -1.283 298 HG LEU 36 HG LEU 36 3.206 -6.087 -3.646 299 HD11 LEU 36 1HD1 LEU 36 4.808 -4.408 -2.772 300 HD12 LEU 36 2HD1 LEU 36 5.459 -5.124 -4.258 301 HD13 LEU 36 3HD1 LEU 36 6.040 -5.654 -2.669 302 HD21 LEU 36 3HD2 LEU 36 3.941 -8.429 -3.780 303 HD22 LEU 36 1HD2 LEU 36 5.567 -7.943 -3.329 304 HD23 LEU 36 2HD2 LEU 36 4.889 -7.413 -4.869 305 H GLN 37 H GLN 37 1.284 -6.512 0.639 306 HA GLN 37 HA GLN 37 -0.518 -4.764 -0.882 307 HB2 GLN 37 2HB GLN 37 -0.964 -6.078 1.819 308 HB3 GLN 37 1HB GLN 37 -1.988 -4.809 1.177 309 HG2 GLN 37 2HG GLN 37 -3.103 -6.843 0.789 310 HG3 GLN 37 1HG GLN 37 -2.482 -6.300 -0.759 311 HE21 GLN 37 1HE2 GLN 37 -0.607 -7.917 1.752 312 HE22 GLN 37 2HE2 GLN 37 -0.329 -9.347 0.843 313 H ILE 38 H ILE 38 -0.509 -2.629 -0.405 314 HA ILE 38 HA ILE 38 1.460 -1.797 1.629 315 HB ILE 38 HB ILE 38 0.774 -0.327 -0.905 316 HG12 ILE 38 2HG1 ILE 38 3.029 -2.316 -0.511 317 HG13 ILE 38 1HG1 ILE 38 1.615 -2.539 -1.515 318 HG21 ILE 38 1HG2 ILE 38 3.155 -0.241 0.975 319 HG22 ILE 38 2HG2 ILE 38 1.883 0.971 0.860 320 HG23 ILE 38 3HG2 ILE 38 3.002 0.726 -0.487 321 HD11 ILE 38 3HD1 ILE 38 3.677 -0.412 -1.920 322 HD12 ILE 38 1HD1 ILE 38 2.288 -0.723 -2.954 323 HD13 ILE 38 2HD1 ILE 38 3.581 -1.924 -2.813 324 H VAL 39 H VAL 39 0.900 0.218 2.677 325 HA VAL 39 HA VAL 39 -1.851 1.130 2.230 326 HB VAL 39 HB VAL 39 -2.168 1.478 4.694 327 HG11 VAL 39 1HG1 VAL 39 -3.123 -0.483 3.621 328 HG12 VAL 39 2HG1 VAL 39 -2.608 -0.857 5.265 329 HG13 VAL 39 3HG1 VAL 39 -1.629 -1.380 3.894 330 HG21 VAL 39 3HG2 VAL 39 -0.703 0.291 6.286 331 HG22 VAL 39 1HG2 VAL 39 0.177 1.533 5.390 332 HG23 VAL 39 2HG2 VAL 39 0.362 -0.164 4.952 333 H ALA 40 H ALA 40 -2.122 3.290 2.172 334 HA ALA 40 HA ALA 40 0.259 4.969 2.765 335 HB1 ALA 40 1HB ALA 40 -1.882 5.418 0.698 336 HB2 ALA 40 2HB ALA 40 -0.307 4.794 0.342 337 HB3 ALA 40 3HB ALA 40 -0.479 6.435 0.967 338 H ARG 41 H ARG 41 -0.196 6.166 4.601 339 HA ARG 41 HA ARG 41 -2.955 7.020 4.794 340 HB2 ARG 41 2HB ARG 41 -2.116 6.001 6.858 341 HB3 ARG 41 1HB ARG 41 -0.790 7.169 6.866 342 HG2 ARG 41 2HG ARG 41 -2.130 8.890 7.490 343 HG3 ARG 41 1HG ARG 41 -3.589 8.135 6.871 344 HD2 ARG 41 2HD ARG 41 -3.581 8.080 9.338 345 HD3 ARG 41 1HD ARG 41 -3.515 6.465 8.630 346 HE ARG 41 HE ARG 41 -1.007 7.717 9.432 347 HH11 ARG 41 1HH1 ARG 41 -3.545 5.318 10.164 348 HH12 ARG 41 2HH1 ARG 41 -2.579 4.425 11.233 349 HH21 ARG 41 1HH2 ARG 41 0.287 6.485 10.909 350 HH22 ARG 41 2HH2 ARG 41 -0.341 5.102 11.679 351 H LEU 42 H LEU 42 -3.534 8.780 4.262 352 HA LEU 42 HA LEU 42 -1.757 10.574 2.955 353 HB2 LEU 42 2HB LEU 42 -4.622 10.857 3.670 354 HB3 LEU 42 1HB LEU 42 -3.873 11.934 2.561 355 HG LEU 42 HG LEU 42 -4.883 9.212 2.276 356 HD11 LEU 42 1HD1 LEU 42 -5.506 9.967 0.027 357 HD12 LEU 42 2HD1 LEU 42 -4.798 11.523 0.415 358 HD13 LEU 42 3HD1 LEU 42 -6.178 10.931 1.336 359 HD21 LEU 42 3HD2 LEU 42 -2.529 10.082 0.581 360 HD22 LEU 42 1HD2 LEU 42 -3.522 8.650 0.294 361 HD23 LEU 42 2HD2 LEU 42 -2.537 8.760 1.752 362 H LYS 43 H LYS 43 -0.911 12.414 3.633 363 HA LYS 43 HA LYS 43 -1.049 13.200 6.335 364 HB2 LYS 43 2HB LYS 43 -0.192 14.833 3.909 365 HB3 LYS 43 1HB LYS 43 0.143 15.260 5.568 366 HG2 LYS 43 2HG LYS 43 1.549 13.425 5.854 367 HG3 LYS 43 1HG LYS 43 1.164 12.830 4.228 368 HD2 LYS 43 2HD LYS 43 2.118 14.734 3.205 369 HD3 LYS 43 1HD LYS 43 2.266 15.572 4.751 370 HE2 LYS 43 2HE LYS 43 3.739 14.067 5.512 371 HE3 LYS 43 1HE LYS 43 3.666 13.011 4.083 372 HZ1 LYS 43 3HZ LYS 43 4.758 15.816 4.196 373 HZ2 LYS 43 1HZ LYS 43 4.543 14.928 2.765 374 HZ3 LYS 43 2HZ LYS 43 5.629 14.411 3.936 375 H ASN 44 H ASN 44 -2.601 14.157 3.368 376 HA ASN 44 HA ASN 44 -4.065 16.399 4.363 377 HB2 ASN 44 2HB ASN 44 -3.479 16.188 2.001 378 HB3 ASN 44 1HB ASN 44 -4.459 14.739 1.868 379 HD21 ASN 44 1HD2 ASN 44 -4.460 18.168 2.015 380 HD22 ASN 44 2HD2 ASN 44 -6.123 18.408 1.645 381 H ASN 45 H ASN 45 -5.096 13.146 3.367 382 HA ASN 45 HA ASN 45 -7.758 13.659 4.358 383 HB2 ASN 45 2HB ASN 45 -7.362 12.477 2.203 384 HB3 ASN 45 1HB ASN 45 -6.687 11.146 3.143 385 HD21 ASN 45 1HD2 ASN 45 -8.282 9.771 2.176 386 HD22 ASN 45 2HD2 ASN 45 -9.898 9.814 2.754 387 H ASN 46 H ASN 46 -4.924 12.137 5.507 388 HA ASN 46 HA ASN 46 -4.325 11.033 7.335 389 HB2 ASN 46 2HB ASN 46 -5.573 12.921 8.487 390 HB3 ASN 46 1HB ASN 46 -6.992 11.890 8.540 391 HD21 ASN 46 1HD2 ASN 46 -7.112 10.297 10.127 392 HD22 ASN 46 2HD2 ASN 46 -5.945 10.130 11.378 393 H ARG 47 H ARG 47 -6.287 9.900 5.292 394 HA ARG 47 HA ARG 47 -6.992 7.483 6.829 395 HB2 ARG 47 2HB ARG 47 -8.154 8.378 4.184 396 HB3 ARG 47 1HB ARG 47 -8.605 6.930 5.062 397 HG2 ARG 47 2HG ARG 47 -9.384 8.418 6.934 398 HG3 ARG 47 1HG ARG 47 -9.088 9.782 5.863 399 HD2 ARG 47 2HD ARG 47 -10.610 8.791 4.203 400 HD3 ARG 47 1HD ARG 47 -10.956 7.485 5.327 401 HE ARG 47 HE ARG 47 -11.447 10.221 6.185 402 HH11 ARG 47 1HH1 ARG 47 -12.778 7.097 5.194 403 HH12 ARG 47 2HH1 ARG 47 -14.367 7.449 5.680 404 HH21 ARG 47 1HH2 ARG 47 -13.678 10.725 6.841 405 HH22 ARG 47 2HH2 ARG 47 -14.888 9.544 6.629 406 H GLN 48 H GLN 48 -6.552 5.455 5.885 407 HA GLN 48 HA GLN 48 -4.281 5.716 4.080 408 HB2 GLN 48 2HB GLN 48 -3.352 3.771 4.958 409 HB3 GLN 48 1HB GLN 48 -3.953 4.628 6.361 410 HG2 GLN 48 2HG GLN 48 -6.075 3.037 6.033 411 HG3 GLN 48 1HG GLN 48 -4.987 2.251 4.994 412 HE21 GLN 48 1HE2 GLN 48 -5.176 0.385 6.358 413 HE22 GLN 48 2HE2 GLN 48 -4.132 0.252 7.717 414 H VAL 49 H VAL 49 -4.232 4.711 2.231 415 HA VAL 49 HA VAL 49 -6.429 2.887 1.607 416 HB VAL 49 HB VAL 49 -6.244 3.621 -0.779 417 HG11 VAL 49 1HG1 VAL 49 -7.428 5.755 -0.521 418 HG12 VAL 49 2HG1 VAL 49 -6.930 5.807 1.170 419 HG13 VAL 49 3HG1 VAL 49 -8.009 4.530 0.607 420 HG21 VAL 49 3HG2 VAL 49 -4.513 5.834 0.343 421 HG22 VAL 49 1HG2 VAL 49 -5.121 5.741 -1.310 422 HG23 VAL 49 2HG2 VAL 49 -3.973 4.538 -0.722 423 H CYS 50 H CYS 50 -5.861 1.058 0.738 424 HA CYS 50 HA CYS 50 -3.190 0.190 0.681 425 HB2 CYS 50 2HB CYS 50 -5.589 -0.937 -0.727 426 HB3 CYS 50 1HB CYS 50 -4.067 -1.758 -0.729 427 H ILE 51 H ILE 51 -1.625 0.333 -0.708 428 HA ILE 51 HA ILE 51 -2.076 2.009 -3.092 429 HB ILE 51 HB ILE 51 0.635 1.122 -2.155 430 HG12 ILE 51 2HG1 ILE 51 -0.892 3.518 -1.131 431 HG13 ILE 51 1HG1 ILE 51 -0.492 2.090 -0.186 432 HG21 ILE 51 1HG2 ILE 51 -0.421 3.519 -3.611 433 HG22 ILE 51 2HG2 ILE 51 0.466 2.171 -4.308 434 HG23 ILE 51 3HG2 ILE 51 1.278 3.271 -3.184 435 HD11 ILE 51 3HD1 ILE 51 1.181 3.714 0.380 436 HD12 ILE 51 1HD1 ILE 51 1.427 4.096 -1.338 437 HD13 ILE 51 2HD1 ILE 51 1.898 2.543 -0.698 438 H ASP 52 H ASP 52 -1.624 1.313 -5.093 439 HA ASP 52 HA ASP 52 -1.319 -1.469 -5.600 440 HB2 ASP 52 2HB ASP 52 -2.557 -0.120 -7.195 441 HB3 ASP 52 1HB ASP 52 -1.189 0.960 -7.403 442 HA PRO 53 HA PRO 53 3.122 -1.361 -4.953 443 HB2 PRO 53 2HB PRO 53 3.633 -3.912 -5.691 444 HB3 PRO 53 1HB PRO 53 2.941 -3.475 -4.124 445 HG2 PRO 53 2HG PRO 53 1.574 -4.450 -6.597 446 HG3 PRO 53 1HG PRO 53 1.304 -4.926 -4.909 447 HD2 PRO 53 2HD PRO 53 -0.328 -3.198 -6.170 448 HD3 PRO 53 1HD PRO 53 0.055 -3.030 -4.447 449 H LYS 54 H LYS 54 1.697 -1.328 -7.962 450 HA LYS 54 HA LYS 54 4.139 -1.992 -9.377 451 HB2 LYS 54 2HB LYS 54 1.516 -0.977 -10.474 452 HB3 LYS 54 1HB LYS 54 2.877 -1.546 -11.430 453 HG2 LYS 54 2HG LYS 54 1.216 -3.199 -9.536 454 HG3 LYS 54 1HG LYS 54 1.139 -3.243 -11.299 455 HD2 LYS 54 2HD LYS 54 3.484 -4.009 -11.348 456 HD3 LYS 54 1HD LYS 54 3.512 -3.992 -9.588 457 HE2 LYS 54 2HE LYS 54 1.709 -5.657 -9.547 458 HE3 LYS 54 1HE LYS 54 1.706 -5.685 -11.308 459 HZ1 LYS 54 3HZ LYS 54 2.991 -7.521 -10.412 460 HZ2 LYS 54 1HZ LYS 54 3.987 -6.451 -9.572 461 HZ3 LYS 54 2HZ LYS 54 3.988 -6.478 -11.260 462 H LEU 55 H LEU 55 2.893 0.647 -7.813 463 HA LEU 55 HA LEU 55 3.823 2.736 -9.469 464 HB2 LEU 55 2HB LEU 55 3.532 2.666 -6.473 465 HB3 LEU 55 1HB LEU 55 3.903 4.110 -7.381 466 HG LEU 55 HG LEU 55 1.338 2.523 -7.593 467 HD11 LEU 55 1HD1 LEU 55 1.918 5.211 -6.360 468 HD12 LEU 55 2HD1 LEU 55 1.548 3.724 -5.481 469 HD13 LEU 55 3HD1 LEU 55 0.330 4.462 -6.520 470 HD21 LEU 55 3HD2 LEU 55 1.968 3.615 -9.694 471 HD22 LEU 55 1HD2 LEU 55 2.154 5.135 -8.823 472 HD23 LEU 55 2HD2 LEU 55 0.561 4.377 -8.946 473 H LYS 56 H LYS 56 5.685 3.324 -9.981 474 HA LYS 56 HA LYS 56 8.020 1.910 -9.328 475 HB2 LYS 56 2HB LYS 56 7.629 2.929 -11.510 476 HB3 LYS 56 1HB LYS 56 7.577 4.516 -10.801 477 HG2 LYS 56 2HG LYS 56 10.079 2.830 -10.798 478 HG3 LYS 56 1HG LYS 56 9.637 3.864 -12.149 479 HD2 LYS 56 2HD LYS 56 9.613 5.799 -10.536 480 HD3 LYS 56 1HD LYS 56 10.267 4.705 -9.311 481 HE2 LYS 56 2HE LYS 56 12.207 4.268 -10.729 482 HE3 LYS 56 1HE LYS 56 11.535 5.304 -11.975 483 HZ1 LYS 56 3HZ LYS 56 13.167 6.541 -10.790 484 HZ2 LYS 56 1HZ LYS 56 12.494 6.184 -9.289 485 HZ3 LYS 56 2HZ LYS 56 11.676 7.167 -10.378 486 H TRP 57 H TRP 57 6.738 4.967 -8.100 487 HA TRP 57 HA TRP 57 9.154 5.590 -6.739 488 HB2 TRP 57 2HB TRP 57 7.972 7.372 -5.567 489 HB3 TRP 57 1HB TRP 57 7.449 7.364 -7.237 490 HD1 TRP 57 HD TRP 57 4.829 7.130 -7.645 491 HE1 TRP 57 1HE TRP 57 2.789 6.964 -6.058 492 HE3 TRP 57 3HE TRP 57 7.274 6.335 -3.246 493 HZ2 TRP 57 2HZ TRP 57 2.314 6.529 -3.271 494 HZ3 TRP 57 3HZ TRP 57 5.980 6.063 -1.209 495 HH2 TRP 57 HH TRP 57 3.540 6.140 -1.234 496 H ILE 58 H ILE 58 6.399 3.656 -5.930 497 HA ILE 58 HA ILE 58 6.700 3.404 -3.151 498 HB ILE 58 HB ILE 58 5.516 1.658 -5.287 499 HG12 ILE 58 2HG1 ILE 58 4.323 3.686 -4.451 500 HG13 ILE 58 1HG1 ILE 58 3.382 2.232 -4.231 501 HG21 ILE 58 1HG2 ILE 58 5.621 0.882 -2.386 502 HG22 ILE 58 2HG2 ILE 58 6.440 0.073 -3.726 503 HG23 ILE 58 3HG2 ILE 58 4.680 0.076 -3.645 504 HD11 ILE 58 3HD1 ILE 58 4.981 3.642 -2.147 505 HD12 ILE 58 1HD1 ILE 58 4.094 2.138 -1.919 506 HD13 ILE 58 2HD1 ILE 58 3.232 3.621 -2.330 507 H GLN 59 H GLN 59 7.896 1.378 -5.744 508 HA GLN 59 HA GLN 59 9.225 -0.326 -3.942 509 HB2 GLN 59 2HB GLN 59 10.167 -1.388 -6.009 510 HB3 GLN 59 1HB GLN 59 8.416 -1.279 -5.903 511 HG2 GLN 59 2HG GLN 59 8.519 0.713 -7.380 512 HG3 GLN 59 1HG GLN 59 10.246 0.409 -7.576 513 HE21 GLN 59 1HE2 GLN 59 7.918 -2.170 -7.242 514 HE22 GLN 59 2HE2 GLN 59 8.012 -2.733 -8.839 515 H GLU 60 H GLU 60 10.175 2.486 -5.739 516 HA GLU 60 HA GLU 60 12.968 2.126 -5.420 517 HB2 GLU 60 2HB GLU 60 12.064 3.625 -7.129 518 HB3 GLU 60 1HB GLU 60 11.339 4.627 -5.884 519 HG2 GLU 60 2HG GLU 60 13.616 5.153 -5.058 520 HG3 GLU 60 1HG GLU 60 14.269 4.257 -6.425 521 H TYR 61 H TYR 61 10.558 3.023 -3.337 522 HA TYR 61 HA TYR 61 12.396 4.415 -1.555 523 HB2 TYR 61 2HB TYR 61 10.442 5.689 -2.176 524 HB3 TYR 61 1HB TYR 61 9.386 4.355 -1.774 525 HD1 TYR 61 2HD TYR 61 12.109 5.257 0.504 526 HD2 TYR 61 1HD TYR 61 8.025 5.840 -0.470 527 HE1 TYR 61 2HE TYR 61 11.730 6.297 2.720 528 HE2 TYR 61 1HE TYR 61 7.607 6.855 1.691 529 HH TYR 61 HH TYR 61 8.556 6.905 3.913 530 H LEU 62 H LEU 62 9.632 2.266 -1.343 531 HA LEU 62 HA LEU 62 10.423 1.316 1.188 532 HB2 LEU 62 2HB LEU 62 8.356 0.507 -0.748 533 HB3 LEU 62 1HB LEU 62 8.553 -0.419 0.698 534 HG LEU 62 HG LEU 62 6.726 1.053 1.037 535 HD11 LEU 62 1HD1 LEU 62 8.160 0.940 2.962 536 HD12 LEU 62 2HD1 LEU 62 7.379 2.514 2.837 537 HD13 LEU 62 3HD1 LEU 62 9.072 2.342 2.390 538 HD21 LEU 62 3HD2 LEU 62 8.477 3.257 -0.002 539 HD22 LEU 62 1HD2 LEU 62 6.881 3.473 0.706 540 HD23 LEU 62 2HD2 LEU 62 7.058 2.560 -0.794 541 H GLU 63 H GLU 63 11.173 0.242 -2.017 542 HA GLU 63 HA GLU 63 11.871 -2.326 -0.821 543 HB2 GLU 63 2HB GLU 63 11.240 -1.694 -3.698 544 HB3 GLU 63 1HB GLU 63 11.979 -3.212 -3.206 545 HG2 GLU 63 2HG GLU 63 9.336 -2.203 -2.170 546 HG3 GLU 63 1HG GLU 63 9.510 -3.333 -3.511 547 H LYS 64 H LYS 64 13.157 0.439 -2.343 548 HA LYS 64 HA LYS 64 15.686 -0.948 -2.683 549 HB2 LYS 64 2HB LYS 64 14.971 1.864 -3.543 550 HB3 LYS 64 1HB LYS 64 16.451 1.005 -3.933 551 HG2 LYS 64 2HG LYS 64 13.692 0.214 -4.840 552 HG3 LYS 64 1HG LYS 64 14.871 1.092 -5.812 553 HD2 LYS 64 2HD LYS 64 16.380 -0.829 -5.687 554 HD3 LYS 64 1HD LYS 64 15.202 -1.685 -4.687 555 HE2 LYS 64 2HE LYS 64 15.084 -2.406 -7.024 556 HE3 LYS 64 1HE LYS 64 13.592 -1.638 -6.501 557 HZ1 LYS 64 3HZ LYS 64 15.716 -0.268 -8.085 558 HZ2 LYS 64 1HZ LYS 64 14.252 0.372 -7.654 559 HZ3 LYS 64 2HZ LYS 64 14.282 -0.915 -8.711 560 H ALA 65 H ALA 65 14.157 1.563 -0.808 561 HA ALA 65 HA ALA 65 16.755 2.191 0.431 562 HB1 ALA 65 1HB ALA 65 15.390 4.099 -0.309 563 HB2 ALA 65 2HB ALA 65 15.623 4.116 1.446 564 HB3 ALA 65 3HB ALA 65 14.095 3.555 0.766 565 H LEU 66 H LEU 66 13.489 1.248 1.277 566 HA LEU 66 HA LEU 66 14.136 0.840 4.045 567 HB2 LEU 66 2HB LEU 66 11.772 0.310 2.364 568 HB3 LEU 66 1HB LEU 66 11.836 -0.441 3.909 569 HG LEU 66 HG LEU 66 10.491 1.590 4.042 570 HD11 LEU 66 1HD1 LEU 66 11.616 2.819 5.799 571 HD12 LEU 66 2HD1 LEU 66 13.139 2.039 5.391 572 HD13 LEU 66 3HD1 LEU 66 11.794 1.076 6.004 573 HD21 LEU 66 3HD2 LEU 66 11.427 3.813 3.603 574 HD22 LEU 66 1HD2 LEU 66 11.429 2.821 2.146 575 HD23 LEU 66 2HD2 LEU 66 12.923 3.064 3.044 576 H ASN 67 H ASN 67 13.657 -1.237 1.283 577 HA ASN 67 HA ASN 67 13.935 -3.562 2.977 578 HB2 ASN 67 2HB ASN 67 12.292 -3.237 1.038 579 HB3 ASN 67 1HB ASN 67 13.676 -3.473 -0.000 580 HD21 ASN 67 1HD2 ASN 67 11.252 -4.882 0.497 581 HD22 ASN 67 2HD2 ASN 67 11.662 -6.557 0.755 582 H LYS 68 H LYS 68 15.534 -2.080 0.165 583 HA LYS 68 HA LYS 68 17.640 -1.856 -0.430 584 HB2 LYS 68 2HB LYS 68 18.013 -1.103 1.836 585 HB3 LYS 68 1HB LYS 68 18.192 -2.750 2.401 586 HG2 LYS 68 2HG LYS 68 20.229 -2.968 1.096 587 HG3 LYS 68 1HG LYS 68 20.017 -1.314 0.507 588 HD2 LYS 68 2HD LYS 68 20.162 -0.461 2.784 589 HD3 LYS 68 1HD LYS 68 20.322 -2.104 3.402 590 HE2 LYS 68 2HE LYS 68 22.407 -2.368 2.205 591 HE3 LYS 68 1HE LYS 68 22.238 -0.757 1.518 592 HZ1 LYS 68 3HZ LYS 68 22.493 -1.334 4.428 593 HZ2 LYS 68 1HZ LYS 68 22.422 0.193 3.697 594 HZ3 LYS 68 2HZ LYS 68 23.734 -0.813 3.417 Start of MODEL 12 1 H1 LYS 1 1HT LYS 1 -21.859 -20.386 6.769 2 H2 LYS 1 2HT LYS 1 -20.540 -20.712 5.747 3 H3 LYS 1 3HT LYS 1 -22.107 -21.038 5.240 4 HA LYS 1 HA LYS 1 -22.680 -18.765 5.183 5 HB2 LYS 1 2HB LYS 1 -19.795 -18.316 5.994 6 HB3 LYS 1 1HB LYS 1 -20.935 -17.061 5.540 7 HG2 LYS 1 2HG LYS 1 -22.335 -17.617 7.467 8 HG3 LYS 1 1HG LYS 1 -21.201 -18.889 7.914 9 HD2 LYS 1 2HD LYS 1 -19.450 -17.225 8.240 10 HD3 LYS 1 1HD LYS 1 -20.564 -15.944 7.758 11 HE2 LYS 1 2HE LYS 1 -22.028 -16.540 9.667 12 HE3 LYS 1 1HE LYS 1 -20.866 -17.770 10.142 13 HZ1 LYS 1 2HZ LYS 1 -19.227 -16.058 10.539 14 HZ2 LYS 1 3HZ LYS 1 -20.634 -15.686 11.398 15 HZ3 LYS 1 1HZ LYS 1 -20.286 -14.871 9.984 16 HA PRO 2 HA PRO 2 -21.233 -19.773 1.104 17 HB2 PRO 2 2HB PRO 2 -22.922 -18.096 -0.230 18 HB3 PRO 2 1HB PRO 2 -23.437 -19.665 0.394 19 HG2 PRO 2 2HG PRO 2 -23.862 -16.939 1.531 20 HG3 PRO 2 1HG PRO 2 -24.967 -18.319 1.490 21 HD2 PRO 2 2HD PRO 2 -23.543 -17.596 3.694 22 HD3 PRO 2 1HD PRO 2 -24.051 -19.265 3.369 23 H VAL 3 H VAL 3 -19.369 -18.928 0.443 24 HA VAL 3 HA VAL 3 -18.987 -16.155 0.961 25 HB VAL 3 HB VAL 3 -16.572 -16.464 0.343 26 HG11 VAL 3 1HG1 VAL 3 -16.037 -17.712 2.390 27 HG12 VAL 3 2HG1 VAL 3 -17.713 -18.250 2.480 28 HG13 VAL 3 3HG1 VAL 3 -17.331 -16.538 2.640 29 HG21 VAL 3 3HG2 VAL 3 -16.808 -18.404 -1.104 30 HG22 VAL 3 1HG2 VAL 3 -17.343 -19.380 0.275 31 HG23 VAL 3 2HG2 VAL 3 -15.703 -18.725 0.229 32 H SER 4 H SER 4 -20.443 -15.419 -0.419 33 HA SER 4 HA SER 4 -19.583 -15.176 -3.193 34 HB2 SER 4 2HB SER 4 -22.088 -14.198 -1.775 35 HB3 SER 4 1HB SER 4 -21.802 -14.156 -3.515 36 HG SER 4 HG SER 4 -21.492 -16.523 -3.232 37 H LEU 5 H LEU 5 -18.195 -13.564 -3.498 38 HA LEU 5 HA LEU 5 -16.965 -11.735 -3.264 39 HB2 LEU 5 2HB LEU 5 -19.044 -10.470 -3.664 40 HB3 LEU 5 1HB LEU 5 -19.436 -10.556 -1.959 41 HG LEU 5 HG LEU 5 -17.478 -9.170 -1.446 42 HD11 LEU 5 1HD1 LEU 5 -17.194 -8.951 -4.439 43 HD12 LEU 5 2HD1 LEU 5 -16.066 -9.740 -3.334 44 HD13 LEU 5 3HD1 LEU 5 -16.311 -7.997 -3.246 45 HD21 LEU 5 3HD2 LEU 5 -19.644 -8.124 -1.726 46 HD22 LEU 5 1HD2 LEU 5 -19.373 -7.980 -3.464 47 HD23 LEU 5 2HD2 LEU 5 -18.374 -7.067 -2.333 48 H SER 6 H SER 6 -15.466 -12.631 -1.977 49 HA SER 6 HA SER 6 -15.391 -11.721 0.760 50 HB2 SER 6 2HB SER 6 -14.762 -14.020 1.532 51 HB3 SER 6 1HB SER 6 -16.442 -13.901 1.001 52 HG SER 6 HG SER 6 -14.671 -15.595 0.202 53 H TYR 7 H TYR 7 -13.116 -12.351 1.650 54 HA TYR 7 HA TYR 7 -11.125 -12.471 -0.491 55 HB2 TYR 7 2HB TYR 7 -10.010 -10.447 0.221 56 HB3 TYR 7 1HB TYR 7 -11.679 -10.052 -0.177 57 HD1 TYR 7 2HD TYR 7 -9.292 -10.593 2.556 58 HD2 TYR 7 1HD TYR 7 -13.132 -9.167 1.483 59 HE1 TYR 7 2HE TYR 7 -9.510 -9.523 4.795 60 HE2 TYR 7 1HE TYR 7 -13.383 -8.117 3.697 61 HH TYR 7 HH TYR 7 -10.793 -7.714 5.842 62 H ARG 8 H ARG 8 -8.958 -12.229 0.548 63 HA ARG 8 HA ARG 8 -8.797 -13.274 3.271 64 HB2 ARG 8 2HB ARG 8 -7.185 -14.932 2.571 65 HB3 ARG 8 1HB ARG 8 -8.723 -15.184 1.758 66 HG2 ARG 8 2HG ARG 8 -7.876 -14.098 -0.241 67 HG3 ARG 8 1HG ARG 8 -6.327 -13.819 0.563 68 HD2 ARG 8 2HD ARG 8 -6.085 -16.150 0.883 69 HD3 ARG 8 1HD ARG 8 -7.645 -16.399 0.061 70 HE ARG 8 HE ARG 8 -6.000 -14.927 -1.655 71 HH11 ARG 8 1HH1 ARG 8 -6.022 -18.217 -0.346 72 HH12 ARG 8 2HH1 ARG 8 -5.269 -18.903 -1.710 73 HH21 ARG 8 1HH2 ARG 8 -4.977 -15.852 -3.487 74 HH22 ARG 8 2HH2 ARG 8 -4.644 -17.528 -3.531 75 H CYS 9 H CYS 9 -8.047 -10.979 1.173 76 HA CYS 9 HA CYS 9 -5.239 -10.717 1.985 77 HB2 CYS 9 2HB CYS 9 -6.691 -9.516 -0.369 78 HB3 CYS 9 1HB CYS 9 -4.984 -9.307 -0.015 79 HA PRO 10 HA PRO 10 -6.422 -7.112 4.364 80 HB2 PRO 10 2HB PRO 10 -3.736 -6.108 3.557 81 HB3 PRO 10 1HB PRO 10 -4.405 -6.302 5.177 82 HG2 PRO 10 2HG PRO 10 -2.539 -7.975 4.223 83 HG3 PRO 10 1HG PRO 10 -3.831 -8.528 5.299 84 HD2 PRO 10 2HD PRO 10 -3.506 -8.907 2.367 85 HD3 PRO 10 1HD PRO 10 -4.235 -9.975 3.585 86 H CYS 11 H CYS 11 -4.893 -6.968 1.220 87 HA CYS 11 HA CYS 11 -6.576 -4.688 0.559 88 HB2 CYS 11 2HB CYS 11 -3.699 -5.029 -0.314 89 HB3 CYS 11 1HB CYS 11 -4.804 -3.765 -0.807 90 H ARG 12 H ARG 12 -7.998 -5.580 -0.684 91 HA ARG 12 HA ARG 12 -7.209 -7.471 -2.746 92 HB2 ARG 12 2HB ARG 12 -9.195 -8.011 -1.412 93 HB3 ARG 12 1HB ARG 12 -9.919 -6.472 -1.822 94 HG2 ARG 12 2HG ARG 12 -10.149 -7.154 -4.127 95 HG3 ARG 12 1HG ARG 12 -9.322 -8.674 -3.785 96 HD2 ARG 12 2HD ARG 12 -11.761 -8.943 -3.852 97 HD3 ARG 12 1HD ARG 12 -11.097 -9.338 -2.270 98 HE ARG 12 HE ARG 12 -11.930 -6.638 -2.404 99 HH11 ARG 12 1HH1 ARG 12 -13.228 -9.916 -2.087 100 HH12 ARG 12 2HH1 ARG 12 -14.587 -9.426 -1.170 101 HH21 ARG 12 1HH2 ARG 12 -13.877 -5.975 -1.189 102 HH22 ARG 12 2HH2 ARG 12 -14.984 -7.150 -0.699 103 H PHE 13 H PHE 13 -8.213 -4.205 -2.228 104 HA PHE 13 HA PHE 13 -7.845 -3.670 -5.075 105 HB2 PHE 13 2HB PHE 13 -9.737 -2.271 -3.180 106 HB3 PHE 13 1HB PHE 13 -9.362 -1.706 -4.799 107 HD1 PHE 13 2HD PHE 13 -10.108 -2.938 -6.763 108 HD2 PHE 13 1HD PHE 13 -11.209 -4.162 -2.838 109 HE1 PHE 13 2HE PHE 13 -11.875 -4.359 -7.707 110 HE2 PHE 13 1HE PHE 13 -12.975 -5.584 -3.778 111 HZ PHE 13 HZ PHE 13 -13.310 -5.687 -6.219 112 H PHE 14 H PHE 14 -6.646 -2.022 -5.640 113 HA PHE 14 HA PHE 14 -5.005 -0.822 -3.538 114 HB2 PHE 14 2HB PHE 14 -4.255 -1.793 -6.276 115 HB3 PHE 14 1HB PHE 14 -3.206 -0.848 -5.224 116 HD1 PHE 14 2HD PHE 14 -2.472 -1.759 -3.144 117 HD2 PHE 14 1HD PHE 14 -4.587 -4.116 -5.931 118 HE1 PHE 14 2HE PHE 14 -1.672 -3.709 -2.028 119 HE2 PHE 14 1HE PHE 14 -3.806 -6.172 -4.806 120 HZ PHE 14 HZ PHE 14 -2.334 -5.990 -2.837 121 H GLU 15 H GLU 15 -4.340 1.306 -3.854 122 HA GLU 15 HA GLU 15 -5.519 2.744 -6.095 123 HB2 GLU 15 2HB GLU 15 -6.284 3.510 -3.837 124 HB3 GLU 15 1HB GLU 15 -4.618 3.748 -3.396 125 HG2 GLU 15 2HG GLU 15 -5.755 5.855 -3.999 126 HG3 GLU 15 1HG GLU 15 -4.327 5.515 -4.967 127 H SER 16 H SER 16 -4.099 3.378 -7.549 128 HA SER 16 HA SER 16 -1.275 3.231 -6.918 129 HB2 SER 16 2HB SER 16 -1.135 3.365 -9.433 130 HB3 SER 16 1HB SER 16 -1.946 1.933 -8.791 131 HG SER 16 HG SER 16 -3.047 3.020 -10.536 132 H HIS 17 H HIS 17 -3.792 5.454 -7.242 133 HA HIS 17 HA HIS 17 -2.179 7.585 -8.381 134 HB2 HIS 17 2HB HIS 17 -5.092 7.476 -7.583 135 HB3 HIS 17 1HB HIS 17 -4.316 8.901 -8.255 136 HD1 HIS 17 1HD HIS 17 -4.561 9.119 -10.702 137 HD2 HIS 17 2HD HIS 17 -4.820 5.205 -9.427 138 HE1 HIS 17 1HE HIS 17 -5.063 7.787 -12.779 139 HE2 HIS 17 2HE HIS 17 -5.436 5.441 -11.933 140 H VAL 18 H VAL 18 -1.621 6.523 -5.611 141 HA VAL 18 HA VAL 18 -2.200 8.839 -3.964 142 HB VAL 18 HB VAL 18 -0.447 6.459 -3.300 143 HG11 VAL 18 1HG1 VAL 18 -0.136 8.356 -1.847 144 HG12 VAL 18 2HG1 VAL 18 -0.936 7.041 -0.979 145 HG13 VAL 18 3HG1 VAL 18 -1.871 8.431 -1.536 146 HG21 VAL 18 3HG2 VAL 18 -3.403 6.763 -2.797 147 HG22 VAL 18 1HG2 VAL 18 -2.378 5.497 -2.123 148 HG23 VAL 18 2HG2 VAL 18 -2.623 5.594 -3.867 149 H ALA 19 H ALA 19 -0.626 10.353 -3.419 150 HA ALA 19 HA ALA 19 1.853 10.231 -4.983 151 HB1 ALA 19 1HB ALA 19 0.429 12.207 -5.333 152 HB2 ALA 19 2HB ALA 19 1.967 12.651 -4.583 153 HB3 ALA 19 3HB ALA 19 0.507 12.549 -3.601 154 H ARG 20 H ARG 20 3.800 10.143 -3.946 155 HA ARG 20 HA ARG 20 3.960 9.209 -1.342 156 HB2 ARG 20 2HB ARG 20 5.774 8.838 -2.871 157 HB3 ARG 20 1HB ARG 20 6.112 10.547 -3.001 158 HG2 ARG 20 2HG ARG 20 6.756 10.552 -0.580 159 HG3 ARG 20 1HG ARG 20 6.470 8.823 -0.563 160 HD2 ARG 20 2HD ARG 20 8.207 8.435 -2.135 161 HD3 ARG 20 1HD ARG 20 8.412 10.167 -2.429 162 HE ARG 20 HE ARG 20 8.840 9.845 0.239 163 HH11 ARG 20 1HH1 ARG 20 10.285 8.402 -2.686 164 HH12 ARG 20 2HH1 ARG 20 11.813 8.206 -1.978 165 HH21 ARG 20 1HH2 ARG 20 11.002 9.586 1.174 166 HH22 ARG 20 2HH2 ARG 20 12.234 8.889 0.246 167 H ALA 21 H ALA 21 4.129 12.492 -2.515 168 HA ALA 21 HA ALA 21 5.056 13.791 -0.220 169 HB1 ALA 21 1HB ALA 21 4.113 15.819 -1.192 170 HB2 ALA 21 2HB ALA 21 3.168 14.847 -2.321 171 HB3 ALA 21 3HB ALA 21 4.929 14.852 -2.419 172 H ASN 22 H ASN 22 1.886 12.534 -0.984 173 HA ASN 22 HA ASN 22 0.699 13.940 1.290 174 HB2 ASN 22 2HB ASN 22 -0.508 13.939 -0.889 175 HB3 ASN 22 1HB ASN 22 -0.611 12.187 -0.798 176 HD21 ASN 22 1HD2 ASN 22 -2.816 12.170 -0.803 177 HD22 ASN 22 2HD2 ASN 22 -3.783 12.716 0.521 178 H VAL 23 H VAL 23 2.192 11.056 0.570 179 HA VAL 23 HA VAL 23 0.683 9.371 2.347 180 HB VAL 23 HB VAL 23 3.481 8.959 1.215 181 HG11 VAL 23 1HG1 VAL 23 3.136 6.612 1.753 182 HG12 VAL 23 2HG1 VAL 23 1.587 7.000 2.507 183 HG13 VAL 23 3HG1 VAL 23 3.089 7.614 3.209 184 HG21 VAL 23 3HG2 VAL 23 1.787 9.119 -0.535 185 HG22 VAL 23 1HG2 VAL 23 0.825 7.893 0.280 186 HG23 VAL 23 2HG2 VAL 23 2.400 7.475 -0.396 187 H LYS 24 H LYS 24 0.745 9.551 4.498 188 HA LYS 24 HA LYS 24 2.622 11.164 5.880 189 HB2 LYS 24 2HB LYS 24 0.318 10.734 6.822 190 HB3 LYS 24 1HB LYS 24 0.760 9.019 6.951 191 HG2 LYS 24 2HG LYS 24 2.196 9.614 8.648 192 HG3 LYS 24 1HG LYS 24 1.988 11.339 8.289 193 HD2 LYS 24 2HD LYS 24 -0.417 11.098 8.677 194 HD3 LYS 24 1HD LYS 24 -0.143 9.424 9.178 195 HE2 LYS 24 2HE LYS 24 1.376 10.144 10.703 196 HE3 LYS 24 1HE LYS 24 1.093 11.844 10.321 197 HZ1 LYS 24 3HZ LYS 24 -1.259 11.588 11.016 198 HZ2 LYS 24 1HZ LYS 24 -0.253 11.213 12.317 199 HZ3 LYS 24 2HZ LYS 24 -0.977 9.983 11.441 200 H ARG 25 H ARG 25 1.998 7.745 5.918 201 HA ARG 25 HA ARG 25 4.807 7.136 5.812 202 HB2 ARG 25 2HB ARG 25 4.295 7.470 8.220 203 HB3 ARG 25 1HB ARG 25 3.102 6.186 8.124 204 HG2 ARG 25 2HG ARG 25 4.906 4.630 7.407 205 HG3 ARG 25 1HG ARG 25 6.058 5.937 7.688 206 HD2 ARG 25 2HD ARG 25 5.360 6.029 10.028 207 HD3 ARG 25 1HD ARG 25 4.247 4.692 9.726 208 HE ARG 25 HE ARG 25 6.973 4.177 9.001 209 HH11 ARG 25 1HH1 ARG 25 4.527 3.918 11.543 210 HH12 ARG 25 2HH1 ARG 25 5.350 2.722 12.430 211 HH21 ARG 25 1HH2 ARG 25 8.126 2.488 10.217 212 HH22 ARG 25 2HH2 ARG 25 7.459 1.904 11.656 213 H LEU 26 H LEU 26 5.076 4.881 5.177 214 HA LEU 26 HA LEU 26 2.608 3.490 4.691 215 HB2 LEU 26 2HB LEU 26 3.006 3.041 2.418 216 HB3 LEU 26 1HB LEU 26 3.028 4.766 2.633 217 HG LEU 26 HG LEU 26 5.483 3.041 2.278 218 HD11 LEU 26 1HD1 LEU 26 5.460 3.994 0.019 219 HD12 LEU 26 2HD1 LEU 26 3.906 4.733 0.394 220 HD13 LEU 26 3HD1 LEU 26 4.041 2.982 0.397 221 HD21 LEU 26 3HD2 LEU 26 5.155 6.027 2.022 222 HD22 LEU 26 1HD2 LEU 26 6.623 5.089 1.788 223 HD23 LEU 26 2HD2 LEU 26 5.917 5.221 3.410 224 H LYS 27 H LYS 27 2.972 1.278 4.009 225 HA LYS 27 HA LYS 27 5.577 0.241 4.698 226 HB2 LYS 27 2HB LYS 27 4.245 0.366 6.858 227 HB3 LYS 27 1HB LYS 27 3.063 -0.632 6.070 228 HG2 LYS 27 2HG LYS 27 4.468 -2.491 6.013 229 HG3 LYS 27 1HG LYS 27 5.883 -1.526 6.443 230 HD2 LYS 27 2HD LYS 27 3.475 -1.741 8.134 231 HD3 LYS 27 1HD LYS 27 4.849 -2.868 8.355 232 HE2 LYS 27 2HE LYS 27 6.230 -0.737 8.690 233 HE3 LYS 27 1HE LYS 27 4.722 0.148 8.719 234 HZ1 LYS 27 3HZ LYS 27 4.018 -1.131 10.651 235 HZ2 LYS 27 1HZ LYS 27 5.499 -0.404 10.952 236 HZ3 LYS 27 2HZ LYS 27 5.437 -2.036 10.579 237 H ILE 28 H ILE 28 6.002 -1.655 3.730 238 HA ILE 28 HA ILE 28 4.004 -2.779 1.882 239 HB ILE 28 HB ILE 28 7.021 -2.837 1.934 240 HG12 ILE 28 2HG1 ILE 28 5.029 -1.686 -0.016 241 HG13 ILE 28 1HG1 ILE 28 6.211 -0.835 0.960 242 HG21 ILE 28 1HG2 ILE 28 5.215 -4.409 0.167 243 HG22 ILE 28 2HG2 ILE 28 6.368 -5.040 1.339 244 HG23 ILE 28 3HG2 ILE 28 6.953 -4.197 -0.103 245 HD11 ILE 28 3HD1 ILE 28 6.902 -0.925 -1.364 246 HD12 ILE 28 1HD1 ILE 28 6.807 -2.684 -1.341 247 HD13 ILE 28 2HD1 ILE 28 8.013 -1.857 -0.361 248 H LEU 29 H LEU 29 3.193 -4.692 2.205 249 HA LEU 29 HA LEU 29 4.480 -6.460 4.156 250 HB2 LEU 29 2HB LEU 29 2.408 -5.127 4.962 251 HB3 LEU 29 1HB LEU 29 1.524 -6.066 3.781 252 HG LEU 29 HG LEU 29 1.235 -6.844 6.118 253 HD11 LEU 29 1HD1 LEU 29 0.808 -8.372 4.352 254 HD12 LEU 29 2HD1 LEU 29 1.546 -9.217 5.707 255 HD13 LEU 29 3HD1 LEU 29 2.511 -8.835 4.275 256 HD21 LEU 29 3HD2 LEU 29 3.452 -6.371 6.961 257 HD22 LEU 29 1HD2 LEU 29 4.139 -7.610 5.912 258 HD23 LEU 29 2HD2 LEU 29 3.039 -8.069 7.212 259 H ASN 30 H ASN 30 5.159 -8.136 2.950 260 HA ASN 30 HA ASN 30 3.690 -8.961 0.557 261 HB2 ASN 30 2HB ASN 30 6.388 -9.860 1.612 262 HB3 ASN 30 1HB ASN 30 5.599 -10.586 0.232 263 HD21 ASN 30 1HD2 ASN 30 5.729 -7.133 0.959 264 HD22 ASN 30 2HD2 ASN 30 6.724 -6.723 -0.402 265 H THR 31 H THR 31 1.980 -10.254 1.094 266 HA THR 31 HA THR 31 2.414 -12.376 3.023 267 HB THR 31 HB THR 31 0.084 -12.998 2.374 268 HG1 THR 31 1HG THR 31 0.639 -11.180 0.498 269 HG21 THR 31 3HG2 THR 31 0.490 -10.177 3.369 270 HG22 THR 31 1HG2 THR 31 0.491 -11.629 4.370 271 HG23 THR 31 2HG2 THR 31 -0.990 -11.110 3.556 272 HA PRO 32 HA PRO 32 3.565 -15.064 -0.388 273 HB2 PRO 32 2HB PRO 32 3.619 -17.406 1.020 274 HB3 PRO 32 1HB PRO 32 4.926 -16.220 1.082 275 HG2 PRO 32 2HG PRO 32 2.708 -16.696 3.018 276 HG3 PRO 32 1HG PRO 32 4.404 -16.326 3.346 277 HD2 PRO 32 2HD PRO 32 2.431 -14.477 3.501 278 HD3 PRO 32 1HD PRO 32 4.101 -14.063 3.057 279 H ASN 33 H ASN 33 0.852 -15.413 1.697 280 HA ASN 33 HA ASN 33 -0.505 -17.443 0.159 281 HB2 ASN 33 2HB ASN 33 -2.405 -17.109 1.642 282 HB3 ASN 33 1HB ASN 33 -0.939 -17.157 2.611 283 HD21 ASN 33 1HD2 ASN 33 -0.208 -15.214 3.590 284 HD22 ASN 33 2HD2 ASN 33 -1.266 -13.847 3.684 285 H CYS 34 H CYS 34 -0.536 -13.928 0.356 286 HA CYS 34 HA CYS 34 -2.563 -13.953 -1.766 287 HB2 CYS 34 2HB CYS 34 -3.106 -12.585 0.393 288 HB3 CYS 34 1HB CYS 34 -1.774 -11.631 -0.054 289 H ALA 35 H ALA 35 -0.401 -11.257 -0.985 290 HA ALA 35 HA ALA 35 1.407 -11.366 -3.173 291 HB1 ALA 35 1HB ALA 35 -1.064 -9.637 -3.516 292 HB2 ALA 35 2HB ALA 35 -0.794 -11.125 -4.415 293 HB3 ALA 35 3HB ALA 35 0.315 -9.773 -4.617 294 H LEU 36 H LEU 36 1.150 -8.608 -3.576 295 HA LEU 36 HA LEU 36 2.716 -7.930 -1.240 296 HB2 LEU 36 2HB LEU 36 3.327 -8.027 -3.824 297 HB3 LEU 36 1HB LEU 36 2.639 -6.419 -3.792 298 HG LEU 36 HG LEU 36 4.827 -7.420 -2.111 299 HD11 LEU 36 1HD1 LEU 36 6.303 -5.975 -3.594 300 HD12 LEU 36 2HD1 LEU 36 4.892 -5.658 -4.599 301 HD13 LEU 36 3HD1 LEU 36 5.532 -7.297 -4.468 302 HD21 LEU 36 3HD2 LEU 36 3.750 -5.598 -1.013 303 HD22 LEU 36 1HD2 LEU 36 3.752 -4.633 -2.494 304 HD23 LEU 36 2HD2 LEU 36 5.269 -4.994 -1.696 305 H GLN 37 H GLN 37 1.535 -6.695 0.247 306 HA GLN 37 HA GLN 37 -0.547 -4.897 -0.777 307 HB2 GLN 37 2HB GLN 37 -0.217 -6.119 1.975 308 HB3 GLN 37 1HB GLN 37 -1.344 -4.835 1.624 309 HG2 GLN 37 2HG GLN 37 -2.565 -6.895 1.733 310 HG3 GLN 37 1HG GLN 37 -2.503 -6.400 0.052 311 HE21 GLN 37 1HE2 GLN 37 -1.356 -8.620 2.417 312 HE22 GLN 37 2HE2 GLN 37 -0.829 -9.822 1.293 313 H ILE 38 H ILE 38 -0.247 -2.747 -0.526 314 HA ILE 38 HA ILE 38 1.836 -1.867 1.358 315 HB ILE 38 HB ILE 38 1.047 -0.470 -1.200 316 HG12 ILE 38 2HG1 ILE 38 3.365 -2.356 -0.724 317 HG13 ILE 38 1HG1 ILE 38 1.974 -2.641 -1.745 318 HG21 ILE 38 1HG2 ILE 38 3.453 -0.199 0.640 319 HG22 ILE 38 2HG2 ILE 38 2.109 0.930 0.542 320 HG23 ILE 38 3HG2 ILE 38 3.191 0.728 -0.838 321 HD11 ILE 38 3HD1 ILE 38 3.971 -0.478 -2.129 322 HD12 ILE 38 1HD1 ILE 38 2.612 -0.827 -3.193 323 HD13 ILE 38 2HD1 ILE 38 3.941 -1.998 -3.019 324 H VAL 39 H VAL 39 1.291 0.134 2.478 325 HA VAL 39 HA VAL 39 -1.508 0.945 2.122 326 HB VAL 39 HB VAL 39 -1.760 1.232 4.583 327 HG11 VAL 39 1HG1 VAL 39 -2.711 -0.720 3.466 328 HG12 VAL 39 2HG1 VAL 39 -2.128 -1.166 5.071 329 HG13 VAL 39 3HG1 VAL 39 -1.183 -1.584 3.644 330 HG21 VAL 39 3HG2 VAL 39 -0.234 0.009 6.097 331 HG22 VAL 39 1HG2 VAL 39 0.595 1.304 5.229 332 HG23 VAL 39 2HG2 VAL 39 0.801 -0.370 4.720 333 H ALA 40 H ALA 40 -1.903 3.065 2.021 334 HA ALA 40 HA ALA 40 0.245 4.931 2.834 335 HB1 ALA 40 1HB ALA 40 -1.783 5.261 0.609 336 HB2 ALA 40 2HB ALA 40 -0.093 4.929 0.350 337 HB3 ALA 40 3HB ALA 40 -0.582 6.440 1.092 338 H ARG 41 H ARG 41 -0.406 6.064 4.562 339 HA ARG 41 HA ARG 41 -3.233 6.756 4.661 340 HB2 ARG 41 2HB ARG 41 -2.494 5.845 6.782 341 HB3 ARG 41 1HB ARG 41 -1.140 6.987 6.817 342 HG2 ARG 41 2HG ARG 41 -2.553 8.769 7.198 343 HG3 ARG 41 1HG ARG 41 -3.999 7.836 6.794 344 HD2 ARG 41 2HD ARG 41 -3.724 6.489 8.715 345 HD3 ARG 41 1HD ARG 41 -2.176 7.245 9.121 346 HE ARG 41 HE ARG 41 -3.542 9.363 9.323 347 HH11 ARG 41 1HH1 ARG 41 -4.926 6.169 10.107 348 HH12 ARG 41 2HH1 ARG 41 -6.051 6.770 11.215 349 HH21 ARG 41 1HH2 ARG 41 -5.082 10.175 10.933 350 HH22 ARG 41 2HH2 ARG 41 -6.130 9.094 11.720 351 H LEU 42 H LEU 42 -3.905 8.591 4.275 352 HA LEU 42 HA LEU 42 -2.096 10.443 2.988 353 HB2 LEU 42 2HB LEU 42 -4.998 10.802 3.574 354 HB3 LEU 42 1HB LEU 42 -4.130 11.783 2.446 355 HG LEU 42 HG LEU 42 -5.238 9.073 2.217 356 HD11 LEU 42 1HD1 LEU 42 -5.864 9.759 -0.035 357 HD12 LEU 42 2HD1 LEU 42 -5.171 11.342 0.294 358 HD13 LEU 42 3HD1 LEU 42 -6.528 10.746 1.252 359 HD21 LEU 42 3HD2 LEU 42 -2.855 9.904 0.543 360 HD22 LEU 42 1HD2 LEU 42 -3.865 8.494 0.222 361 HD23 LEU 42 2HD2 LEU 42 -2.907 8.571 1.699 362 H LYS 43 H LYS 43 -1.361 12.327 3.677 363 HA LYS 43 HA LYS 43 -1.347 12.940 6.445 364 HB2 LYS 43 2HB LYS 43 -0.513 14.696 4.100 365 HB3 LYS 43 1HB LYS 43 -0.099 14.957 5.783 366 HG2 LYS 43 2HG LYS 43 1.172 13.014 5.878 367 HG3 LYS 43 1HG LYS 43 0.727 12.595 4.219 368 HD2 LYS 43 2HD LYS 43 1.826 14.506 3.353 369 HD3 LYS 43 1HD LYS 43 2.076 15.178 4.968 370 HE2 LYS 43 2HE LYS 43 3.358 13.404 5.556 371 HE3 LYS 43 1HE LYS 43 3.218 12.581 3.993 372 HZ1 LYS 43 3HZ LYS 43 4.561 15.205 4.536 373 HZ2 LYS 43 1HZ LYS 43 4.316 14.583 2.987 374 HZ3 LYS 43 2HZ LYS 43 5.319 13.774 4.054 375 H ASN 44 H ASN 44 -3.197 14.116 3.725 376 HA ASN 44 HA ASN 44 -4.463 16.099 5.449 377 HB2 ASN 44 2HB ASN 44 -4.631 15.740 2.457 378 HB3 ASN 44 1HB ASN 44 -5.560 16.937 3.356 379 HD21 ASN 44 1HD2 ASN 44 -3.519 17.246 1.271 380 HD22 ASN 44 2HD2 ASN 44 -2.309 18.251 1.967 381 H ASN 45 H ASN 45 -5.395 13.298 3.480 382 HA ASN 45 HA ASN 45 -8.173 13.574 4.167 383 HB2 ASN 45 2HB ASN 45 -7.304 12.364 2.115 384 HB3 ASN 45 1HB ASN 45 -6.880 11.036 3.198 385 HD21 ASN 45 1HD2 ASN 45 -8.646 10.872 0.977 386 HD22 ASN 45 2HD2 ASN 45 -10.215 10.500 1.580 387 H ASN 46 H ASN 46 -5.406 11.933 5.573 388 HA ASN 46 HA ASN 46 -5.068 10.721 7.380 389 HB2 ASN 46 2HB ASN 46 -7.787 11.751 8.280 390 HB3 ASN 46 1HB ASN 46 -6.652 10.832 9.268 391 HD21 ASN 46 1HD2 ASN 46 -7.306 13.896 7.782 392 HD22 ASN 46 2HD2 ASN 46 -6.086 14.786 8.615 393 H ARG 47 H ARG 47 -6.629 9.784 5.022 394 HA ARG 47 HA ARG 47 -7.667 7.379 6.305 395 HB2 ARG 47 2HB ARG 47 -8.218 8.488 3.590 396 HB3 ARG 47 1HB ARG 47 -8.643 6.856 3.996 397 HG2 ARG 47 2HG ARG 47 -10.065 7.726 5.847 398 HG3 ARG 47 1HG ARG 47 -9.707 9.362 5.281 399 HD2 ARG 47 2HD ARG 47 -10.673 8.856 3.123 400 HD3 ARG 47 1HD ARG 47 -10.968 7.193 3.621 401 HE ARG 47 HE ARG 47 -12.200 8.989 5.394 402 HH11 ARG 47 1HH1 ARG 47 -12.533 7.665 2.134 403 HH12 ARG 47 2HH1 ARG 47 -14.226 7.774 2.057 404 HH21 ARG 47 1HH2 ARG 47 -14.566 9.191 5.320 405 HH22 ARG 47 2HH2 ARG 47 -15.427 8.719 3.932 406 H GLN 48 H GLN 48 -7.121 5.419 5.568 407 HA GLN 48 HA GLN 48 -4.508 5.303 4.362 408 HB2 GLN 48 2HB GLN 48 -4.283 4.530 6.488 409 HB3 GLN 48 1HB GLN 48 -5.917 3.899 6.530 410 HG2 GLN 48 2HG GLN 48 -5.340 2.108 5.220 411 HG3 GLN 48 1HG GLN 48 -3.712 2.673 4.892 412 HE21 GLN 48 1HE2 GLN 48 -2.741 0.822 5.882 413 HE22 GLN 48 2HE2 GLN 48 -2.868 0.487 7.562 414 H VAL 49 H VAL 49 -4.418 4.502 2.479 415 HA VAL 49 HA VAL 49 -6.450 2.593 1.594 416 HB VAL 49 HB VAL 49 -6.262 3.519 -0.687 417 HG11 VAL 49 1HG1 VAL 49 -7.452 5.638 -0.301 418 HG12 VAL 49 2HG1 VAL 49 -6.998 5.568 1.397 419 HG13 VAL 49 3HG1 VAL 49 -8.062 4.333 0.725 420 HG21 VAL 49 3HG2 VAL 49 -4.567 5.681 0.585 421 HG22 VAL 49 1HG2 VAL 49 -5.150 5.669 -1.081 422 HG23 VAL 49 2HG2 VAL 49 -4.000 4.445 -0.540 423 H CYS 50 H CYS 50 -5.720 0.971 0.369 424 HA CYS 50 HA CYS 50 -3.029 0.129 0.651 425 HB2 CYS 50 2HB CYS 50 -5.270 -0.877 -1.071 426 HB3 CYS 50 1HB CYS 50 -3.808 -1.765 -0.816 427 H ILE 51 H ILE 51 -1.343 0.381 -0.714 428 HA ILE 51 HA ILE 51 -1.838 2.014 -3.111 429 HB ILE 51 HB ILE 51 0.912 1.254 -2.183 430 HG12 ILE 51 2HG1 ILE 51 -0.679 3.605 -1.164 431 HG13 ILE 51 1HG1 ILE 51 -0.255 2.187 -0.205 432 HG21 ILE 51 1HG2 ILE 51 -0.305 3.606 -3.602 433 HG22 ILE 51 2HG2 ILE 51 0.641 2.319 -4.336 434 HG23 ILE 51 3HG2 ILE 51 1.418 3.459 -3.221 435 HD11 ILE 51 3HD1 ILE 51 1.387 3.840 0.358 436 HD12 ILE 51 1HD1 ILE 51 1.623 4.234 -1.360 437 HD13 ILE 51 2HD1 ILE 51 2.128 2.691 -0.727 438 H ASP 52 H ASP 52 -1.331 1.308 -5.075 439 HA ASP 52 HA ASP 52 -1.129 -1.493 -5.572 440 HB2 ASP 52 2HB ASP 52 -2.302 0.078 -7.066 441 HB3 ASP 52 1HB ASP 52 -0.778 0.876 -7.428 442 HA PRO 53 HA PRO 53 3.301 -1.598 -4.987 443 HB2 PRO 53 2HB PRO 53 3.743 -4.152 -5.709 444 HB3 PRO 53 1HB PRO 53 2.950 -3.706 -4.194 445 HG2 PRO 53 2HG PRO 53 1.711 -4.595 -6.769 446 HG3 PRO 53 1HG PRO 53 1.335 -5.089 -5.106 447 HD2 PRO 53 2HD PRO 53 -0.137 -3.262 -6.459 448 HD3 PRO 53 1HD PRO 53 0.076 -3.207 -4.698 449 H LYS 54 H LYS 54 1.891 -1.534 -7.994 450 HA LYS 54 HA LYS 54 4.335 -2.153 -9.375 451 HB2 LYS 54 2HB LYS 54 1.652 -1.300 -10.428 452 HB3 LYS 54 1HB LYS 54 3.044 -1.692 -11.438 453 HG2 LYS 54 2HG LYS 54 3.073 -3.958 -10.495 454 HG3 LYS 54 1HG LYS 54 1.666 -3.562 -9.520 455 HD2 LYS 54 2HD LYS 54 1.758 -3.549 -12.540 456 HD3 LYS 54 1HD LYS 54 1.084 -4.836 -11.542 457 HE2 LYS 54 2HE LYS 54 -0.519 -3.191 -10.605 458 HE3 LYS 54 1HE LYS 54 0.125 -1.988 -11.713 459 HZ1 LYS 54 3HZ LYS 54 -0.590 -3.354 -13.575 460 HZ2 LYS 54 1HZ LYS 54 -1.900 -3.023 -12.540 461 HZ3 LYS 54 2HZ LYS 54 -1.163 -4.530 -12.503 462 H LEU 55 H LEU 55 3.171 0.470 -7.803 463 HA LEU 55 HA LEU 55 4.080 2.545 -9.510 464 HB2 LEU 55 2HB LEU 55 3.802 2.506 -6.516 465 HB3 LEU 55 1HB LEU 55 4.158 3.941 -7.455 466 HG LEU 55 HG LEU 55 1.620 2.319 -7.548 467 HD11 LEU 55 1HD1 LEU 55 2.220 5.086 -6.537 468 HD12 LEU 55 2HD1 LEU 55 1.875 3.671 -5.544 469 HD13 LEU 55 3HD1 LEU 55 0.628 4.336 -6.598 470 HD21 LEU 55 3HD2 LEU 55 2.143 3.210 -9.752 471 HD22 LEU 55 1HD2 LEU 55 2.435 4.796 -9.043 472 HD23 LEU 55 2HD2 LEU 55 0.808 4.117 -9.032 473 H LYS 56 H LYS 56 5.990 3.267 -9.949 474 HA LYS 56 HA LYS 56 8.247 1.738 -9.202 475 HB2 LYS 56 2HB LYS 56 7.879 2.799 -11.455 476 HB3 LYS 56 1HB LYS 56 8.168 4.360 -10.724 477 HG2 LYS 56 2HG LYS 56 10.226 2.145 -10.744 478 HG3 LYS 56 1HG LYS 56 10.074 3.321 -12.040 479 HD2 LYS 56 2HD LYS 56 10.636 4.014 -9.143 480 HD3 LYS 56 1HD LYS 56 11.876 3.818 -10.381 481 HE2 LYS 56 2HE LYS 56 10.840 5.639 -11.675 482 HE3 LYS 56 1HE LYS 56 9.639 5.838 -10.404 483 HZ1 LYS 56 3HZ LYS 56 12.555 6.139 -9.983 484 HZ2 LYS 56 1HZ LYS 56 11.367 6.545 -8.881 485 HZ3 LYS 56 2HZ LYS 56 11.554 7.430 -10.305 486 H TRP 57 H TRP 57 6.951 4.871 -8.156 487 HA TRP 57 HA TRP 57 9.333 5.600 -6.814 488 HB2 TRP 57 2HB TRP 57 8.098 7.372 -5.675 489 HB3 TRP 57 1HB TRP 57 7.597 7.317 -7.351 490 HD1 TRP 57 HD TRP 57 4.999 6.982 -7.789 491 HE1 TRP 57 1HE TRP 57 2.942 6.838 -6.233 492 HE3 TRP 57 3HE TRP 57 7.386 6.418 -3.321 493 HZ2 TRP 57 2HZ TRP 57 2.411 6.489 -3.411 494 HZ3 TRP 57 3HZ TRP 57 6.063 6.182 -1.301 495 HH2 TRP 57 HH TRP 57 3.614 6.203 -1.370 496 H ILE 58 H ILE 58 6.660 3.626 -5.924 497 HA ILE 58 HA ILE 58 6.924 3.462 -3.139 498 HB ILE 58 HB ILE 58 5.860 1.629 -5.255 499 HG12 ILE 58 2HG1 ILE 58 4.601 3.674 -4.557 500 HG13 ILE 58 1HG1 ILE 58 3.665 2.228 -4.327 501 HG21 ILE 58 1HG2 ILE 58 5.805 0.983 -2.322 502 HG22 ILE 58 2HG2 ILE 58 6.761 0.146 -3.555 503 HG23 ILE 58 3HG2 ILE 58 4.997 0.106 -3.623 504 HD11 ILE 58 3HD1 ILE 58 5.146 3.739 -2.243 505 HD12 ILE 58 1HD1 ILE 58 4.286 2.220 -1.990 506 HD13 ILE 58 2HD1 ILE 58 3.407 3.663 -2.499 507 H GLN 59 H GLN 59 8.166 1.360 -5.669 508 HA GLN 59 HA GLN 59 9.478 -0.317 -3.818 509 HB2 GLN 59 2HB GLN 59 10.373 -1.446 -5.848 510 HB3 GLN 59 1HB GLN 59 8.627 -1.292 -5.769 511 HG2 GLN 59 2HG GLN 59 8.846 0.719 -7.268 512 HG3 GLN 59 1HG GLN 59 10.538 0.271 -7.476 513 HE21 GLN 59 1HE2 GLN 59 7.945 -2.052 -7.107 514 HE22 GLN 59 2HE2 GLN 59 8.017 -2.661 -8.694 515 H GLU 60 H GLU 60 10.404 2.410 -5.709 516 HA GLU 60 HA GLU 60 13.204 2.078 -5.357 517 HB2 GLU 60 2HB GLU 60 12.247 3.357 -7.222 518 HB3 GLU 60 1HB GLU 60 11.546 4.493 -6.091 519 HG2 GLU 60 2HG GLU 60 13.841 5.125 -5.403 520 HG3 GLU 60 1HG GLU 60 14.462 4.088 -6.689 521 H TYR 61 H TYR 61 10.793 2.939 -3.291 522 HA TYR 61 HA TYR 61 12.561 4.569 -1.623 523 HB2 TYR 61 2HB TYR 61 10.486 5.686 -2.222 524 HB3 TYR 61 1HB TYR 61 9.544 4.298 -1.733 525 HD1 TYR 61 2HD TYR 61 12.238 5.276 0.519 526 HD2 TYR 61 1HD TYR 61 8.155 5.929 -0.490 527 HE1 TYR 61 2HE TYR 61 11.848 6.329 2.729 528 HE2 TYR 61 1HE TYR 61 7.753 6.951 1.656 529 HH TYR 61 HH TYR 61 8.735 6.901 3.925 530 H LEU 62 H LEU 62 9.924 2.299 -1.235 531 HA LEU 62 HA LEU 62 10.813 1.458 1.303 532 HB2 LEU 62 2HB LEU 62 8.791 0.470 -0.600 533 HB3 LEU 62 1HB LEU 62 9.068 -0.427 0.850 534 HG LEU 62 HG LEU 62 7.153 0.920 1.221 535 HD11 LEU 62 1HD1 LEU 62 8.645 0.939 3.113 536 HD12 LEU 62 2HD1 LEU 62 7.737 2.443 2.991 537 HD13 LEU 62 3HD1 LEU 62 9.428 2.399 2.502 538 HD21 LEU 62 3HD2 LEU 62 8.716 3.246 0.137 539 HD22 LEU 62 1HD2 LEU 62 7.109 3.333 0.842 540 HD23 LEU 62 2HD2 LEU 62 7.365 2.426 -0.655 541 H GLU 63 H GLU 63 11.492 0.260 -1.892 542 HA GLU 63 HA GLU 63 12.513 -2.097 -0.548 543 HB2 GLU 63 2HB GLU 63 11.643 -1.825 -3.414 544 HB3 GLU 63 1HB GLU 63 12.445 -3.251 -2.775 545 HG2 GLU 63 2HG GLU 63 9.772 -2.164 -1.850 546 HG3 GLU 63 1HG GLU 63 10.027 -3.593 -2.844 547 H LYS 64 H LYS 64 13.378 0.560 -2.432 548 HA LYS 64 HA LYS 64 15.953 -0.602 -2.938 549 HB2 LYS 64 2HB LYS 64 14.869 0.638 -4.774 550 HB3 LYS 64 1HB LYS 64 14.793 2.076 -3.786 551 HG2 LYS 64 2HG LYS 64 17.373 0.818 -4.736 552 HG3 LYS 64 1HG LYS 64 16.519 2.076 -5.621 553 HD2 LYS 64 2HD LYS 64 16.796 3.591 -3.714 554 HD3 LYS 64 1HD LYS 64 17.622 2.317 -2.818 555 HE2 LYS 64 2HE LYS 64 19.333 2.254 -4.601 556 HE3 LYS 64 1HE LYS 64 18.542 3.623 -5.374 557 HZ1 LYS 64 3HZ LYS 64 19.695 3.618 -2.645 558 HZ2 LYS 64 1HZ LYS 64 18.963 4.935 -3.380 559 HZ3 LYS 64 2HZ LYS 64 20.409 4.327 -3.977 560 H ALA 65 H ALA 65 14.434 1.789 -0.907 561 HA ALA 65 HA ALA 65 17.072 2.492 0.127 562 HB1 ALA 65 1HB ALA 65 15.571 4.360 -0.418 563 HB2 ALA 65 2HB ALA 65 15.992 4.349 1.300 564 HB3 ALA 65 3HB ALA 65 14.414 3.755 0.768 565 H LEU 66 H LEU 66 14.022 1.124 1.215 566 HA LEU 66 HA LEU 66 15.160 0.759 3.867 567 HB2 LEU 66 2HB LEU 66 12.402 0.184 2.809 568 HB3 LEU 66 1HB LEU 66 12.907 -0.359 4.382 569 HG LEU 66 HG LEU 66 11.560 1.631 4.597 570 HD11 LEU 66 1HD1 LEU 66 13.029 3.065 5.876 571 HD12 LEU 66 2HD1 LEU 66 14.432 2.250 5.185 572 HD13 LEU 66 3HD1 LEU 66 13.311 1.359 6.214 573 HD21 LEU 66 3HD2 LEU 66 12.249 3.812 3.708 574 HD22 LEU 66 1HD2 LEU 66 11.939 2.662 2.407 575 HD23 LEU 66 2HD2 LEU 66 13.596 3.042 2.871 576 H ASN 67 H ASN 67 14.285 -1.235 1.128 577 HA ASN 67 HA ASN 67 14.692 -3.645 2.669 578 HB2 ASN 67 2HB ASN 67 12.976 -3.399 0.830 579 HB3 ASN 67 1HB ASN 67 14.310 -3.409 -0.300 580 HD21 ASN 67 1HD2 ASN 67 12.428 -5.245 1.859 581 HD22 ASN 67 2HD2 ASN 67 12.965 -6.817 1.362 582 H LYS 68 H LYS 68 16.454 -1.839 0.189 583 HA LYS 68 HA LYS 68 18.489 -3.880 0.087 584 HB2 LYS 68 2HB LYS 68 17.808 -2.578 -1.980 585 HB3 LYS 68 1HB LYS 68 18.507 -1.166 -1.231 586 HG2 LYS 68 2HG LYS 68 20.697 -2.125 -1.216 587 HG3 LYS 68 1HG LYS 68 20.074 -3.665 -1.798 588 HD2 LYS 68 2HD LYS 68 19.358 -2.531 -3.880 589 HD3 LYS 68 1HD LYS 68 20.104 -1.045 -3.288 590 HE2 LYS 68 2HE LYS 68 22.283 -2.147 -3.206 591 HE3 LYS 68 1HE LYS 68 21.550 -3.659 -3.721 592 HZ1 LYS 68 3HZ LYS 68 21.687 -1.167 -5.332 593 HZ2 LYS 68 1HZ LYS 68 20.939 -2.583 -5.817 594 HZ3 LYS 68 2HZ LYS 68 22.594 -2.558 -5.593 Start of MODEL 13 1 H1 LYS 1 1HT LYS 1 -20.783 -2.189 -8.817 2 H2 LYS 1 2HT LYS 1 -22.112 -2.762 -7.970 3 H3 LYS 1 3HT LYS 1 -22.337 -2.137 -9.507 4 HA LYS 1 HA LYS 1 -22.389 -4.556 -9.507 5 HB2 LYS 1 2HB LYS 1 -19.808 -3.487 -10.699 6 HB3 LYS 1 1HB LYS 1 -20.578 -5.000 -11.129 7 HG2 LYS 1 2HG LYS 1 -22.510 -3.752 -12.014 8 HG3 LYS 1 1HG LYS 1 -21.712 -2.250 -11.555 9 HD2 LYS 1 2HD LYS 1 -19.883 -2.721 -13.063 10 HD3 LYS 1 1HD LYS 1 -20.612 -4.267 -13.505 11 HE2 LYS 1 2HE LYS 1 -22.542 -3.117 -14.424 12 HE3 LYS 1 1HE LYS 1 -21.882 -1.568 -13.909 13 HZ1 LYS 1 2HZ LYS 1 -20.033 -1.893 -15.424 14 HZ2 LYS 1 3HZ LYS 1 -21.500 -1.954 -16.249 15 HZ3 LYS 1 1HZ LYS 1 -20.659 -3.374 -15.937 16 HA PRO 2 HA PRO 2 -19.669 -6.196 -6.421 17 HB2 PRO 2 2HB PRO 2 -20.329 -8.829 -6.665 18 HB3 PRO 2 1HB PRO 2 -21.338 -7.663 -5.807 19 HG2 PRO 2 2HG PRO 2 -21.744 -8.918 -8.442 20 HG3 PRO 2 1HG PRO 2 -22.928 -8.240 -7.322 21 HD2 PRO 2 2HD PRO 2 -21.914 -7.019 -9.666 22 HD3 PRO 2 1HD PRO 2 -22.932 -6.268 -8.427 23 H VAL 3 H VAL 3 -17.732 -7.342 -6.354 24 HA VAL 3 HA VAL 3 -16.658 -8.008 -9.000 25 HB VAL 3 HB VAL 3 -14.418 -7.703 -8.043 26 HG11 VAL 3 1HG1 VAL 3 -14.490 -5.279 -7.648 27 HG12 VAL 3 2HG1 VAL 3 -16.241 -5.374 -7.475 28 HG13 VAL 3 3HG1 VAL 3 -15.489 -5.758 -9.021 29 HG21 VAL 3 3HG2 VAL 3 -14.101 -6.841 -5.776 30 HG22 VAL 3 1HG2 VAL 3 -14.906 -8.411 -5.746 31 HG23 VAL 3 2HG2 VAL 3 -15.839 -6.937 -5.489 32 H SER 4 H SER 4 -17.987 -9.401 -6.405 33 HA SER 4 HA SER 4 -18.096 -11.452 -5.517 34 HB2 SER 4 2HB SER 4 -18.031 -12.337 -7.830 35 HB3 SER 4 1HB SER 4 -16.274 -12.248 -7.820 36 HG SER 4 HG SER 4 -16.509 -14.222 -7.264 37 H LEU 5 H LEU 5 -17.208 -11.286 -3.599 38 HA LEU 5 HA LEU 5 -14.436 -10.694 -3.374 39 HB2 LEU 5 2HB LEU 5 -16.516 -11.037 -1.240 40 HB3 LEU 5 1HB LEU 5 -14.845 -10.640 -0.914 41 HG LEU 5 HG LEU 5 -16.836 -8.942 -2.425 42 HD11 LEU 5 1HD1 LEU 5 -15.540 -8.572 0.267 43 HD12 LEU 5 2HD1 LEU 5 -17.225 -9.010 -0.027 44 HD13 LEU 5 3HD1 LEU 5 -16.616 -7.432 -0.532 45 HD21 LEU 5 3HD2 LEU 5 -13.947 -8.386 -1.728 46 HD22 LEU 5 1HD2 LEU 5 -15.080 -7.223 -2.415 47 HD23 LEU 5 2HD2 LEU 5 -14.597 -8.630 -3.351 48 H SER 6 H SER 6 -13.695 -12.458 -4.285 49 HA SER 6 HA SER 6 -13.236 -14.566 -2.317 50 HB2 SER 6 2HB SER 6 -12.688 -16.095 -4.235 51 HB3 SER 6 1HB SER 6 -14.368 -15.558 -4.223 52 HG SER 6 HG SER 6 -12.350 -14.259 -5.695 53 H TYR 7 H TYR 7 -11.506 -13.664 -1.321 54 HA TYR 7 HA TYR 7 -9.123 -13.349 -2.952 55 HB2 TYR 7 2HB TYR 7 -8.603 -11.160 -1.967 56 HB3 TYR 7 1HB TYR 7 -10.076 -11.110 -2.920 57 HD1 TYR 7 1HD TYR 7 -12.255 -10.776 -1.776 58 HD2 TYR 7 2HD TYR 7 -8.594 -10.761 0.389 59 HE1 TYR 7 1HE TYR 7 -13.380 -9.685 0.129 60 HE2 TYR 7 2HE TYR 7 -9.715 -9.681 2.290 61 HH TYR 7 HH TYR 7 -13.102 -9.433 2.521 62 H ARG 8 H ARG 8 -7.234 -13.027 -1.715 63 HA ARG 8 HA ARG 8 -7.382 -14.198 0.948 64 HB2 ARG 8 2HB ARG 8 -5.389 -15.588 0.485 65 HB3 ARG 8 1HB ARG 8 -6.766 -16.076 -0.480 66 HG2 ARG 8 2HG ARG 8 -4.550 -14.318 -1.541 67 HG3 ARG 8 1HG ARG 8 -4.496 -16.077 -1.631 68 HD2 ARG 8 2HD ARG 8 -6.500 -16.102 -2.975 69 HD3 ARG 8 1HD ARG 8 -6.701 -14.365 -2.797 70 HE ARG 8 HE ARG 8 -4.224 -14.719 -3.892 71 HH11 ARG 8 1HH1 ARG 8 -7.517 -15.613 -4.824 72 HH12 ARG 8 2HH1 ARG 8 -7.210 -15.495 -6.499 73 HH21 ARG 8 1HH2 ARG 8 -3.837 -14.546 -6.195 74 HH22 ARG 8 2HH2 ARG 8 -5.097 -14.864 -7.292 75 H CYS 9 H CYS 9 -6.702 -11.571 -0.641 76 HA CYS 9 HA CYS 9 -4.162 -11.071 0.746 77 HB2 CYS 9 2HB CYS 9 -5.386 -9.586 -1.593 78 HB3 CYS 9 1HB CYS 9 -3.762 -9.383 -0.938 79 HA PRO 10 HA PRO 10 -6.271 -8.420 3.673 80 HB2 PRO 10 2HB PRO 10 -3.913 -6.653 3.248 81 HB3 PRO 10 1HB PRO 10 -4.607 -7.278 4.747 82 HG2 PRO 10 2HG PRO 10 -2.347 -8.283 3.659 83 HG3 PRO 10 1HG PRO 10 -3.470 -9.252 4.619 84 HD2 PRO 10 2HD PRO 10 -2.943 -9.307 1.716 85 HD3 PRO 10 1HD PRO 10 -3.650 -10.548 2.760 86 H CYS 11 H CYS 11 -4.781 -6.966 0.824 87 HA CYS 11 HA CYS 11 -6.995 -5.069 0.771 88 HB2 CYS 11 2HB CYS 11 -4.249 -4.822 -0.479 89 HB3 CYS 11 1HB CYS 11 -5.560 -3.670 -0.698 90 H ARG 12 H ARG 12 -8.470 -5.676 -0.576 91 HA ARG 12 HA ARG 12 -7.840 -7.477 -2.773 92 HB2 ARG 12 2HB ARG 12 -9.913 -7.664 -1.253 93 HB3 ARG 12 1HB ARG 12 -10.523 -6.232 -2.052 94 HG2 ARG 12 2HG ARG 12 -9.935 -8.869 -3.424 95 HG3 ARG 12 1HG ARG 12 -11.520 -8.359 -2.868 96 HD2 ARG 12 2HD ARG 12 -11.451 -6.480 -4.435 97 HD3 ARG 12 1HD ARG 12 -9.840 -6.972 -4.953 98 HE ARG 12 HE ARG 12 -11.821 -9.027 -5.224 99 HH11 ARG 12 1HH1 ARG 12 -10.236 -6.301 -6.809 100 HH12 ARG 12 2HH1 ARG 12 -10.671 -6.739 -8.380 101 HH21 ARG 12 1HH2 ARG 12 -12.461 -9.664 -7.366 102 HH22 ARG 12 2HH2 ARG 12 -12.032 -8.735 -8.712 103 H PHE 13 H PHE 13 -8.562 -4.176 -2.082 104 HA PHE 13 HA PHE 13 -8.390 -3.522 -4.931 105 HB2 PHE 13 2HB PHE 13 -9.840 -2.043 -2.743 106 HB3 PHE 13 1HB PHE 13 -9.648 -1.452 -4.386 107 HD1 PHE 13 2HD PHE 13 -10.783 -2.625 -6.245 108 HD2 PHE 13 1HD PHE 13 -11.484 -3.640 -2.180 109 HE1 PHE 13 2HE PHE 13 -12.851 -3.779 -6.897 110 HE2 PHE 13 1HE PHE 13 -13.555 -4.801 -2.820 111 HZ PHE 13 HZ PHE 13 -14.242 -4.870 -5.180 112 H PHE 14 H PHE 14 -7.046 -1.946 -5.523 113 HA PHE 14 HA PHE 14 -5.326 -0.822 -3.472 114 HB2 PHE 14 2HB PHE 14 -4.552 -1.923 -6.164 115 HB3 PHE 14 1HB PHE 14 -3.500 -0.953 -5.141 116 HD1 PHE 14 2HD PHE 14 -2.936 -1.807 -2.876 117 HD2 PHE 14 1HD PHE 14 -4.733 -4.239 -5.845 118 HE1 PHE 14 2HE PHE 14 -2.167 -3.754 -1.698 119 HE2 PHE 14 1HE PHE 14 -3.963 -6.254 -4.666 120 HZ PHE 14 HZ PHE 14 -2.659 -6.026 -2.574 121 H GLU 15 H GLU 15 -4.680 1.258 -3.865 122 HA GLU 15 HA GLU 15 -5.954 2.667 -6.061 123 HB2 GLU 15 2HB GLU 15 -6.510 3.511 -3.792 124 HB3 GLU 15 1HB GLU 15 -4.814 3.636 -3.410 125 HG2 GLU 15 2HG GLU 15 -5.822 5.823 -3.897 126 HG3 GLU 15 1HG GLU 15 -4.514 5.412 -5.002 127 H SER 16 H SER 16 -4.638 3.868 -7.418 128 HA SER 16 HA SER 16 -1.747 3.381 -7.134 129 HB2 SER 16 2HB SER 16 -1.713 3.375 -9.646 130 HB3 SER 16 1HB SER 16 -2.610 2.026 -8.929 131 HG SER 16 HG SER 16 -4.364 2.735 -9.811 132 H HIS 17 H HIS 17 -4.020 5.617 -6.875 133 HA HIS 17 HA HIS 17 -2.601 7.733 -8.300 134 HB2 HIS 17 2HB HIS 17 -5.381 7.610 -7.156 135 HB3 HIS 17 1HB HIS 17 -4.679 9.090 -7.777 136 HD1 HIS 17 1HD HIS 17 -5.068 9.525 -10.141 137 HD2 HIS 17 2HD HIS 17 -5.439 5.531 -9.201 138 HE1 HIS 17 1HE HIS 17 -5.846 8.430 -12.273 139 HE2 HIS 17 2HE HIS 17 -5.685 5.978 -11.738 140 H VAL 18 H VAL 18 -1.918 6.514 -5.513 141 HA VAL 18 HA VAL 18 -2.157 8.971 -3.986 142 HB VAL 18 HB VAL 18 -0.942 6.313 -3.142 143 HG11 VAL 18 1HG1 VAL 18 -0.010 8.187 -1.886 144 HG12 VAL 18 2HG1 VAL 18 -1.068 7.205 -0.865 145 HG13 VAL 18 3HG1 VAL 18 -1.640 8.746 -1.501 146 HG21 VAL 18 3HG2 VAL 18 -3.624 7.530 -2.506 147 HG22 VAL 18 1HG2 VAL 18 -2.977 6.044 -1.813 148 HG23 VAL 18 2HG2 VAL 18 -3.324 6.133 -3.539 149 H ALA 19 H ALA 19 -0.494 10.292 -3.504 150 HA ALA 19 HA ALA 19 1.970 9.919 -5.055 151 HB1 ALA 19 1HB ALA 19 0.625 11.951 -5.489 152 HB2 ALA 19 2HB ALA 19 2.235 12.312 -4.840 153 HB3 ALA 19 3HB ALA 19 0.837 12.378 -3.783 154 H ARG 20 H ARG 20 3.927 9.925 -4.066 155 HA ARG 20 HA ARG 20 4.205 9.205 -1.412 156 HB2 ARG 20 2HB ARG 20 5.937 8.710 -2.960 157 HB3 ARG 20 1HB ARG 20 6.214 10.389 -3.336 158 HG2 ARG 20 2HG ARG 20 7.046 10.707 -0.975 159 HG3 ARG 20 1HG ARG 20 6.825 8.973 -0.765 160 HD2 ARG 20 2HD ARG 20 8.491 8.493 -2.370 161 HD3 ARG 20 1HD ARG 20 8.519 10.164 -2.940 162 HE ARG 20 HE ARG 20 9.139 10.297 -0.287 163 HH11 ARG 20 1HH1 ARG 20 10.588 8.609 -3.045 164 HH12 ARG 20 2HH1 ARG 20 12.171 8.764 -2.446 165 HH21 ARG 20 1HH2 ARG 20 11.299 10.516 0.480 166 HH22 ARG 20 2HH2 ARG 20 12.579 9.861 -0.446 167 H ALA 21 H ALA 21 4.132 12.364 -2.871 168 HA ALA 21 HA ALA 21 5.217 13.941 -0.844 169 HB1 ALA 21 1HB ALA 21 4.001 15.791 -1.889 170 HB2 ALA 21 2HB ALA 21 3.027 14.640 -2.800 171 HB3 ALA 21 3HB ALA 21 4.758 14.762 -3.099 172 H ASN 22 H ASN 22 2.008 12.527 -1.163 173 HA ASN 22 HA ASN 22 1.155 13.961 1.251 174 HB2 ASN 22 2HB ASN 22 -0.295 14.209 -0.755 175 HB3 ASN 22 1HB ASN 22 -0.535 12.474 -0.790 176 HD21 ASN 22 1HD2 ASN 22 -2.791 12.774 -0.628 177 HD22 ASN 22 2HD2 ASN 22 -3.550 13.237 0.837 178 H VAL 23 H VAL 23 2.587 11.176 0.488 179 HA VAL 23 HA VAL 23 1.032 9.463 2.204 180 HB VAL 23 HB VAL 23 3.755 8.922 0.941 181 HG11 VAL 23 1HG1 VAL 23 3.346 6.585 1.588 182 HG12 VAL 23 2HG1 VAL 23 1.896 7.084 2.459 183 HG13 VAL 23 3HG1 VAL 23 3.479 7.630 3.010 184 HG21 VAL 23 3HG2 VAL 23 1.913 9.098 -0.640 185 HG22 VAL 23 1HG2 VAL 23 0.980 7.947 0.304 186 HG23 VAL 23 2HG2 VAL 23 2.455 7.429 -0.498 187 H LYS 24 H LYS 24 0.979 9.719 4.235 188 HA LYS 24 HA LYS 24 2.971 11.084 5.799 189 HB2 LYS 24 2HB LYS 24 0.477 11.160 6.354 190 HB3 LYS 24 1HB LYS 24 0.601 9.431 6.693 191 HG2 LYS 24 2HG LYS 24 1.954 10.002 8.505 192 HG3 LYS 24 1HG LYS 24 1.937 11.703 8.007 193 HD2 LYS 24 2HD LYS 24 -0.528 11.684 8.132 194 HD3 LYS 24 1HD LYS 24 -0.440 10.037 8.771 195 HE2 LYS 24 2HE LYS 24 1.037 10.801 10.363 196 HE3 LYS 24 1HE LYS 24 0.789 12.475 9.865 197 HZ1 LYS 24 3HZ LYS 24 -1.634 12.221 10.374 198 HZ2 LYS 24 1HZ LYS 24 -0.731 12.006 11.773 199 HZ3 LYS 24 2HZ LYS 24 -1.369 10.688 10.963 200 H ARG 25 H ARG 25 1.665 7.903 5.556 201 HA ARG 25 HA ARG 25 4.196 6.692 6.326 202 HB2 ARG 25 2HB ARG 25 2.967 7.107 8.467 203 HB3 ARG 25 1HB ARG 25 1.645 6.126 7.856 204 HG2 ARG 25 2HG ARG 25 2.979 4.810 9.377 205 HG3 ARG 25 1HG ARG 25 3.191 4.195 7.735 206 HD2 ARG 25 2HD ARG 25 5.278 5.428 7.530 207 HD3 ARG 25 1HD ARG 25 5.071 6.076 9.157 208 HE ARG 25 HE ARG 25 5.033 3.232 9.124 209 HH11 ARG 25 1HH1 ARG 25 7.205 6.028 9.041 210 HH12 ARG 25 2HH1 ARG 25 8.540 5.185 9.667 211 HH21 ARG 25 1HH2 ARG 25 6.875 2.072 9.969 212 HH22 ARG 25 2HH2 ARG 25 8.354 2.883 10.191 213 H LEU 26 H LEU 26 4.398 4.582 5.444 214 HA LEU 26 HA LEU 26 2.012 3.360 4.429 215 HB2 LEU 26 2HB LEU 26 2.870 2.820 2.284 216 HB3 LEU 26 1HB LEU 26 2.999 4.543 2.478 217 HG LEU 26 HG LEU 26 5.400 2.811 2.999 218 HD11 LEU 26 1HD1 LEU 26 5.958 2.957 0.627 219 HD12 LEU 26 2HD1 LEU 26 4.419 3.779 0.328 220 HD13 LEU 26 3HD1 LEU 26 4.425 2.106 0.880 221 HD21 LEU 26 3HD2 LEU 26 5.048 5.557 1.820 222 HD22 LEU 26 1HD2 LEU 26 6.564 4.747 2.166 223 HD23 LEU 26 2HD2 LEU 26 5.498 5.226 3.503 224 H LYS 27 H LYS 27 2.440 1.137 3.855 225 HA LYS 27 HA LYS 27 4.784 -0.008 5.123 226 HB2 LYS 27 2HB LYS 27 2.930 0.240 6.888 227 HB3 LYS 27 1HB LYS 27 1.993 -0.757 5.814 228 HG2 LYS 27 2HG LYS 27 3.330 -2.641 6.192 229 HG3 LYS 27 1HG LYS 27 4.540 -1.682 7.053 230 HD2 LYS 27 2HD LYS 27 1.703 -1.795 7.860 231 HD3 LYS 27 1HD LYS 27 2.879 -2.961 8.531 232 HE2 LYS 27 2HE LYS 27 2.920 0.085 8.761 233 HE3 LYS 27 1HE LYS 27 2.464 -1.042 10.036 234 HZ1 LYS 27 3HZ LYS 27 4.733 -1.906 9.991 235 HZ2 LYS 27 1HZ LYS 27 4.696 -0.260 10.317 236 HZ3 LYS 27 2HZ LYS 27 5.159 -0.769 8.804 237 H ILE 28 H ILE 28 5.399 -1.725 3.993 238 HA ILE 28 HA ILE 28 3.552 -2.839 1.999 239 HB ILE 28 HB ILE 28 6.586 -2.930 2.097 240 HG12 ILE 28 2HG1 ILE 28 4.647 -1.683 0.155 241 HG13 ILE 28 1HG1 ILE 28 5.787 -0.855 1.191 242 HG21 ILE 28 1HG2 ILE 28 4.817 -4.357 0.118 243 HG22 ILE 28 2HG2 ILE 28 5.854 -5.109 1.344 244 HG23 ILE 28 3HG2 ILE 28 6.572 -4.186 0.022 245 HD11 ILE 28 3HD1 ILE 28 6.595 -0.835 -1.064 246 HD12 ILE 28 1HD1 ILE 28 6.423 -2.581 -1.195 247 HD13 ILE 28 2HD1 ILE 28 7.634 -1.894 -0.110 248 H LEU 29 H LEU 29 2.619 -4.637 2.523 249 HA LEU 29 HA LEU 29 3.911 -6.303 4.544 250 HB2 LEU 29 2HB LEU 29 1.734 -5.350 5.157 251 HB3 LEU 29 1HB LEU 29 1.009 -6.127 3.764 252 HG LEU 29 HG LEU 29 1.524 -8.330 4.750 253 HD11 LEU 29 1HD1 LEU 29 2.207 -8.479 7.095 254 HD12 LEU 29 2HD1 LEU 29 2.451 -6.729 7.130 255 HD13 LEU 29 3HD1 LEU 29 3.452 -7.740 6.088 256 HD21 LEU 29 3HD2 LEU 29 -0.056 -6.480 6.534 257 HD22 LEU 29 1HD2 LEU 29 -0.168 -8.241 6.521 258 HD23 LEU 29 2HD2 LEU 29 -0.665 -7.317 5.106 259 H ASN 30 H ASN 30 4.937 -7.922 3.698 260 HA ASN 30 HA ASN 30 4.114 -9.317 1.265 261 HB2 ASN 30 2HB ASN 30 6.474 -9.533 3.163 262 HB3 ASN 30 1HB ASN 30 6.123 -10.818 2.032 263 HD21 ASN 30 1HD2 ASN 30 7.045 -7.406 2.285 264 HD22 ASN 30 2HD2 ASN 30 7.816 -7.313 0.758 265 H THR 31 H THR 31 2.295 -10.453 1.659 266 HA THR 31 HA THR 31 2.308 -12.180 3.988 267 HB THR 31 HB THR 31 -0.047 -12.702 3.339 268 HG1 THR 31 1HG THR 31 -1.017 -11.200 1.844 269 HG21 THR 31 3HG2 THR 31 0.536 -9.770 3.731 270 HG22 THR 31 1HG2 THR 31 0.411 -10.971 5.021 271 HG23 THR 31 2HG2 THR 31 -1.006 -10.542 4.053 272 HA PRO 32 HA PRO 32 3.918 -15.570 1.635 273 HB2 PRO 32 2HB PRO 32 2.070 -17.152 3.360 274 HB3 PRO 32 1HB PRO 32 3.787 -17.396 3.028 275 HG2 PRO 32 2HG PRO 32 3.026 -16.335 5.346 276 HG3 PRO 32 1HG PRO 32 4.455 -15.729 4.492 277 HD2 PRO 32 2HD PRO 32 1.764 -14.486 4.757 278 HD3 PRO 32 1HD PRO 32 3.374 -13.751 4.665 279 H ASN 33 H ASN 33 0.488 -15.738 2.345 280 HA ASN 33 HA ASN 33 -0.088 -17.390 0.069 281 HB2 ASN 33 2HB ASN 33 -2.417 -17.289 0.646 282 HB3 ASN 33 1HB ASN 33 -1.501 -17.421 2.134 283 HD21 ASN 33 1HD2 ASN 33 -0.776 -14.519 2.002 284 HD22 ASN 33 2HD2 ASN 33 -2.199 -13.663 2.461 285 H CYS 34 H CYS 34 0.325 -13.974 0.271 286 HA CYS 34 HA CYS 34 -0.862 -13.751 -2.400 287 HB2 CYS 34 2HB CYS 34 -2.042 -12.369 -0.361 288 HB3 CYS 34 1HB CYS 34 -0.582 -11.470 -0.494 289 H ALA 35 H ALA 35 0.258 -10.972 -2.434 290 HA ALA 35 HA ALA 35 3.077 -11.658 -2.616 291 HB1 ALA 35 1HB ALA 35 1.559 -9.853 -4.509 292 HB2 ALA 35 2HB ALA 35 2.123 -11.484 -4.870 293 HB3 ALA 35 3HB ALA 35 3.289 -10.197 -4.570 294 H LEU 36 H LEU 36 1.434 -8.522 -3.104 295 HA LEU 36 HA LEU 36 2.691 -7.579 -0.649 296 HB2 LEU 36 2HB LEU 36 2.950 -6.255 -3.334 297 HB3 LEU 36 1HB LEU 36 3.351 -5.489 -1.814 298 HG LEU 36 HG LEU 36 4.737 -7.862 -3.060 299 HD11 LEU 36 1HD1 LEU 36 5.662 -5.086 -2.424 300 HD12 LEU 36 2HD1 LEU 36 5.288 -5.667 -4.062 301 HD13 LEU 36 3HD1 LEU 36 6.631 -6.368 -3.120 302 HD21 LEU 36 3HD2 LEU 36 4.646 -8.114 -0.690 303 HD22 LEU 36 1HD2 LEU 36 5.210 -6.455 -0.466 304 HD23 LEU 36 2HD2 LEU 36 6.268 -7.661 -1.191 305 H GLN 37 H GLN 37 1.409 -6.482 0.525 306 HA GLN 37 HA GLN 37 -0.745 -4.970 -0.760 307 HB2 GLN 37 2HB GLN 37 -0.648 -6.181 2.018 308 HB3 GLN 37 1HB GLN 37 -1.846 -5.002 1.523 309 HG2 GLN 37 2HG GLN 37 -2.843 -7.139 1.415 310 HG3 GLN 37 1HG GLN 37 -2.593 -6.582 -0.227 311 HE21 GLN 37 1HE2 GLN 37 -0.093 -8.028 1.845 312 HE22 GLN 37 2HE2 GLN 37 0.075 -9.433 0.879 313 H ILE 38 H ILE 38 -0.552 -2.836 -0.541 314 HA ILE 38 HA ILE 38 1.375 -1.907 1.456 315 HB ILE 38 HB ILE 38 0.824 -0.556 -1.190 316 HG12 ILE 38 2HG1 ILE 38 3.048 -2.518 -0.555 317 HG13 ILE 38 1HG1 ILE 38 1.707 -2.790 -1.645 318 HG21 ILE 38 1HG2 ILE 38 3.109 -0.384 0.804 319 HG22 ILE 38 2HG2 ILE 38 1.835 0.814 0.598 320 HG23 ILE 38 3HG2 ILE 38 3.000 0.538 -0.695 321 HD11 ILE 38 3HD1 ILE 38 3.776 -0.666 -1.982 322 HD12 ILE 38 1HD1 ILE 38 2.479 -1.017 -3.108 323 HD13 ILE 38 2HD1 ILE 38 3.767 -2.204 -2.833 324 H VAL 39 H VAL 39 0.787 0.031 2.465 325 HA VAL 39 HA VAL 39 -1.944 0.976 1.920 326 HB VAL 39 HB VAL 39 -2.328 1.293 4.358 327 HG11 VAL 39 1HG1 VAL 39 -3.201 -0.708 3.292 328 HG12 VAL 39 2HG1 VAL 39 -2.701 -1.056 4.948 329 HG13 VAL 39 3HG1 VAL 39 -1.681 -1.549 3.595 330 HG21 VAL 39 3HG2 VAL 39 -0.854 0.207 5.999 331 HG22 VAL 39 1HG2 VAL 39 0.009 1.442 5.075 332 HG23 VAL 39 2HG2 VAL 39 0.240 -0.261 4.692 333 H ALA 40 H ALA 40 -2.220 3.177 1.990 334 HA ALA 40 HA ALA 40 0.129 4.743 2.821 335 HB1 ALA 40 1HB ALA 40 -1.678 5.279 0.474 336 HB2 ALA 40 2HB ALA 40 -0.023 4.686 0.396 337 HB3 ALA 40 3HB ALA 40 -0.349 6.300 1.018 338 H ARG 41 H ARG 41 -0.344 6.094 4.359 339 HA ARG 41 HA ARG 41 -3.106 7.013 4.591 340 HB2 ARG 41 2HB ARG 41 -2.289 5.962 6.647 341 HB3 ARG 41 1HB ARG 41 -0.889 7.022 6.625 342 HG2 ARG 41 2HG ARG 41 -2.101 8.855 7.266 343 HG3 ARG 41 1HG ARG 41 -3.640 8.135 6.764 344 HD2 ARG 41 2HD ARG 41 -3.355 8.214 9.231 345 HD3 ARG 41 1HD ARG 41 -3.598 6.600 8.579 346 HE ARG 41 HE ARG 41 -0.937 7.623 9.369 347 HH11 ARG 41 1HH1 ARG 41 -3.409 5.076 9.370 348 HH12 ARG 41 2HH1 ARG 41 -2.491 3.967 10.237 349 HH21 ARG 41 1HH2 ARG 41 0.334 6.095 10.632 350 HH22 ARG 41 2HH2 ARG 41 -0.315 4.554 10.981 351 H LEU 42 H LEU 42 -3.604 8.986 4.279 352 HA LEU 42 HA LEU 42 -1.727 10.692 2.915 353 HB2 LEU 42 2HB LEU 42 -4.422 11.608 3.912 354 HB3 LEU 42 1HB LEU 42 -3.516 12.270 2.586 355 HG LEU 42 HG LEU 42 -5.199 9.858 2.743 356 HD11 LEU 42 1HD1 LEU 42 -6.166 10.656 0.674 357 HD12 LEU 42 2HD1 LEU 42 -5.079 12.037 0.723 358 HD13 LEU 42 3HD1 LEU 42 -6.284 11.813 1.990 359 HD21 LEU 42 3HD2 LEU 42 -3.075 10.263 0.627 360 HD22 LEU 42 1HD2 LEU 42 -4.357 9.049 0.529 361 HD23 LEU 42 2HD2 LEU 42 -3.135 8.958 1.804 362 H LYS 43 H LYS 43 -0.737 12.503 3.598 363 HA LYS 43 HA LYS 43 -0.387 12.969 6.393 364 HB2 LYS 43 2HB LYS 43 0.272 14.816 4.076 365 HB3 LYS 43 1HB LYS 43 0.876 14.972 5.713 366 HG2 LYS 43 2HG LYS 43 2.052 12.948 5.532 367 HG3 LYS 43 1HG LYS 43 1.467 12.736 3.873 368 HD2 LYS 43 2HD LYS 43 2.544 14.708 3.149 369 HD3 LYS 43 1HD LYS 43 2.933 15.184 4.807 370 HE2 LYS 43 2HE LYS 43 4.224 13.329 5.070 371 HE3 LYS 43 1HE LYS 43 3.955 12.729 3.421 372 HZ1 LYS 43 3HZ LYS 43 5.327 15.266 4.208 373 HZ2 LYS 43 1HZ LYS 43 4.952 14.862 2.620 374 HZ3 LYS 43 2HZ LYS 43 6.073 13.948 3.489 375 H ASN 44 H ASN 44 -2.216 14.460 3.829 376 HA ASN 44 HA ASN 44 -3.215 16.546 5.501 377 HB2 ASN 44 2HB ASN 44 -3.955 15.734 2.699 378 HB3 ASN 44 1HB ASN 44 -4.648 17.135 3.515 379 HD21 ASN 44 1HD2 ASN 44 -3.295 18.923 3.864 380 HD22 ASN 44 2HD2 ASN 44 -1.820 19.129 2.995 381 H ASN 45 H ASN 45 -5.051 14.043 3.679 382 HA ASN 45 HA ASN 45 -7.334 14.508 5.350 383 HB2 ASN 45 2HB ASN 45 -7.352 13.635 2.896 384 HB3 ASN 45 1HB ASN 45 -7.082 12.066 3.676 385 HD21 ASN 45 1HD2 ASN 45 -8.768 11.165 4.964 386 HD22 ASN 45 2HD2 ASN 45 -10.372 11.740 4.830 387 H ASN 46 H ASN 46 -4.663 12.450 5.588 388 HA ASN 46 HA ASN 46 -3.962 10.889 7.024 389 HB2 ASN 46 2HB ASN 46 -4.769 12.560 8.760 390 HB3 ASN 46 1HB ASN 46 -6.292 11.688 8.826 391 HD21 ASN 46 1HD2 ASN 46 -6.381 9.751 10.000 392 HD22 ASN 46 2HD2 ASN 46 -5.068 9.183 10.963 393 H ARG 47 H ARG 47 -6.163 10.385 4.979 394 HA ARG 47 HA ARG 47 -7.522 8.140 6.051 395 HB2 ARG 47 2HB ARG 47 -8.613 9.618 4.589 396 HB3 ARG 47 1HB ARG 47 -7.339 9.397 3.356 397 HG2 ARG 47 2HG ARG 47 -7.988 7.145 3.199 398 HG3 ARG 47 1HG ARG 47 -9.286 7.412 4.395 399 HD2 ARG 47 2HD ARG 47 -10.241 9.153 2.877 400 HD3 ARG 47 1HD ARG 47 -9.004 8.747 1.692 401 HE ARG 47 HE ARG 47 -10.542 6.489 2.446 402 HH11 ARG 47 1HH1 ARG 47 -10.509 9.364 0.336 403 HH12 ARG 47 2HH1 ARG 47 -11.658 8.747 -0.749 404 HH21 ARG 47 1HH2 ARG 47 -12.173 5.653 0.896 405 HH22 ARG 47 2HH2 ARG 47 -12.606 6.637 -0.416 406 H GLN 48 H GLN 48 -7.067 6.189 5.465 407 HA GLN 48 HA GLN 48 -4.575 5.725 4.071 408 HB2 GLN 48 2HB GLN 48 -4.217 5.119 6.280 409 HB3 GLN 48 1HB GLN 48 -5.784 4.346 6.419 410 HG2 GLN 48 2HG GLN 48 -5.123 2.527 5.160 411 HG3 GLN 48 1HG GLN 48 -3.712 3.385 4.541 412 HE21 GLN 48 1HE2 GLN 48 -3.964 0.777 5.967 413 HE22 GLN 48 2HE2 GLN 48 -2.955 0.907 7.362 414 H VAL 49 H VAL 49 -4.629 4.761 2.289 415 HA VAL 49 HA VAL 49 -6.752 2.825 1.697 416 HB VAL 49 HB VAL 49 -6.754 3.591 -0.677 417 HG11 VAL 49 1HG1 VAL 49 -8.080 5.630 -0.366 418 HG12 VAL 49 2HG1 VAL 49 -7.490 5.751 1.293 419 HG13 VAL 49 3HG1 VAL 49 -8.501 4.389 0.816 420 HG21 VAL 49 3HG2 VAL 49 -5.116 5.907 0.361 421 HG22 VAL 49 1HG2 VAL 49 -5.805 5.782 -1.259 422 HG23 VAL 49 2HG2 VAL 49 -4.553 4.650 -0.738 423 H CYS 50 H CYS 50 -6.125 1.098 0.546 424 HA CYS 50 HA CYS 50 -3.404 0.309 0.628 425 HB2 CYS 50 2HB CYS 50 -5.740 -0.833 -0.904 426 HB3 CYS 50 1HB CYS 50 -4.226 -1.670 -0.716 427 H ILE 51 H ILE 51 -1.853 0.397 -0.825 428 HA ILE 51 HA ILE 51 -2.434 1.643 -3.399 429 HB ILE 51 HB ILE 51 0.235 1.964 -3.192 430 HG12 ILE 51 2HG1 ILE 51 -0.839 2.572 -0.447 431 HG13 ILE 51 1HG1 ILE 51 0.224 1.229 -0.828 432 HG21 ILE 51 1HG2 ILE 51 -1.868 3.952 -2.407 433 HG22 ILE 51 2HG2 ILE 51 -1.238 3.603 -4.024 434 HG23 ILE 51 3HG2 ILE 51 -0.178 4.318 -2.821 435 HD11 ILE 51 3HD1 ILE 51 1.400 3.131 0.160 436 HD12 ILE 51 1HD1 ILE 51 0.917 4.130 -1.218 437 HD13 ILE 51 2HD1 ILE 51 1.963 2.720 -1.455 438 H ASP 52 H ASP 52 -1.427 0.972 -5.193 439 HA ASP 52 HA ASP 52 -0.971 -1.912 -5.174 440 HB2 ASP 52 2HB ASP 52 -2.435 -0.766 -6.918 441 HB3 ASP 52 1HB ASP 52 -0.969 -0.056 -7.574 442 HA PRO 53 HA PRO 53 3.451 -1.459 -5.119 443 HB2 PRO 53 2HB PRO 53 4.132 -3.955 -6.033 444 HB3 PRO 53 1HB PRO 53 3.662 -3.601 -4.377 445 HG2 PRO 53 2HG PRO 53 2.039 -4.766 -6.576 446 HG3 PRO 53 1HG PRO 53 2.029 -5.161 -4.858 447 HD2 PRO 53 2HD PRO 53 0.117 -3.617 -6.009 448 HD3 PRO 53 1HD PRO 53 0.621 -3.417 -4.320 449 H LYS 54 H LYS 54 1.656 -1.677 -7.989 450 HA LYS 54 HA LYS 54 3.815 -1.803 -9.810 451 HB2 LYS 54 2HB LYS 54 1.063 -0.626 -10.149 452 HB3 LYS 54 1HB LYS 54 2.262 -0.624 -11.431 453 HG2 LYS 54 2HG LYS 54 2.355 -3.078 -11.289 454 HG3 LYS 54 1HG LYS 54 1.077 -3.015 -10.076 455 HD2 LYS 54 2HD LYS 54 -0.447 -2.046 -11.657 456 HD3 LYS 54 1HD LYS 54 0.828 -1.922 -12.871 457 HE2 LYS 54 2HE LYS 54 -0.235 -4.478 -11.677 458 HE3 LYS 54 1HE LYS 54 -0.603 -3.861 -13.292 459 HZ1 LYS 54 3HZ LYS 54 2.063 -4.702 -12.286 460 HZ2 LYS 54 1HZ LYS 54 1.781 -4.053 -13.805 461 HZ3 LYS 54 2HZ LYS 54 1.103 -5.545 -13.387 462 H LEU 55 H LEU 55 2.772 0.706 -7.705 463 HA LEU 55 HA LEU 55 3.740 2.887 -9.201 464 HB2 LEU 55 2HB LEU 55 3.550 2.543 -6.230 465 HB3 LEU 55 1HB LEU 55 3.819 4.067 -7.038 466 HG LEU 55 HG LEU 55 1.307 2.397 -7.239 467 HD11 LEU 55 1HD1 LEU 55 1.830 5.027 -5.863 468 HD12 LEU 55 2HD1 LEU 55 1.534 3.476 -5.077 469 HD13 LEU 55 3HD1 LEU 55 0.261 4.239 -6.027 470 HD21 LEU 55 3HD2 LEU 55 1.760 3.573 -9.315 471 HD22 LEU 55 1HD2 LEU 55 2.007 5.074 -8.425 472 HD23 LEU 55 2HD2 LEU 55 0.407 4.327 -8.467 473 H LYS 56 H LYS 56 5.617 3.187 -9.823 474 HA LYS 56 HA LYS 56 7.811 1.582 -9.112 475 HB2 LYS 56 2HB LYS 56 7.380 2.492 -11.366 476 HB3 LYS 56 1HB LYS 56 7.697 4.102 -10.783 477 HG2 LYS 56 2HG LYS 56 9.793 1.948 -10.728 478 HG3 LYS 56 1HG LYS 56 9.494 2.913 -12.163 479 HD2 LYS 56 2HD LYS 56 9.968 4.949 -10.787 480 HD3 LYS 56 1HD LYS 56 10.421 3.875 -9.458 481 HE2 LYS 56 2HE LYS 56 12.167 2.891 -10.774 482 HE3 LYS 56 1HE LYS 56 11.657 3.782 -12.200 483 HZ1 LYS 56 3HZ LYS 56 13.535 4.876 -11.282 484 HZ2 LYS 56 1HZ LYS 56 12.867 4.949 -9.730 485 HZ3 LYS 56 2HZ LYS 56 12.197 5.830 -10.982 486 H TRP 57 H TRP 57 6.767 4.729 -8.053 487 HA TRP 57 HA TRP 57 9.222 5.383 -6.804 488 HB2 TRP 57 2HB TRP 57 8.049 7.199 -5.673 489 HB3 TRP 57 1HB TRP 57 7.540 7.126 -7.350 490 HD1 TRP 57 HD TRP 57 4.919 6.833 -7.772 491 HE1 TRP 57 1HE TRP 57 2.872 6.747 -6.183 492 HE3 TRP 57 3HE TRP 57 7.342 6.334 -3.319 493 HZ2 TRP 57 2HZ TRP 57 2.367 6.478 -3.410 494 HZ3 TRP 57 3HZ TRP 57 6.044 6.169 -1.284 495 HH2 TRP 57 HH TRP 57 3.603 6.221 -1.321 496 H ILE 58 H ILE 58 6.449 3.535 -5.805 497 HA ILE 58 HA ILE 58 6.843 3.328 -2.987 498 HB ILE 58 HB ILE 58 5.599 1.555 -5.082 499 HG12 ILE 58 2HG1 ILE 58 4.381 3.591 -4.390 500 HG13 ILE 58 1HG1 ILE 58 3.476 2.144 -4.049 501 HG21 ILE 58 1HG2 ILE 58 5.634 0.875 -2.159 502 HG22 ILE 58 2HG2 ILE 58 6.510 0.054 -3.456 503 HG23 ILE 58 3HG2 ILE 58 4.746 0.056 -3.461 504 HD11 ILE 58 3HD1 ILE 58 5.085 3.681 -2.057 505 HD12 ILE 58 1HD1 ILE 58 4.094 2.244 -1.754 506 HD13 ILE 58 2HD1 ILE 58 3.346 3.746 -2.311 507 H GLN 59 H GLN 59 7.871 1.258 -5.613 508 HA GLN 59 HA GLN 59 9.197 -0.446 -3.826 509 HB2 GLN 59 2HB GLN 59 10.142 -1.493 -5.940 510 HB3 GLN 59 1HB GLN 59 8.401 -1.507 -5.700 511 HG2 GLN 59 2HG GLN 59 8.202 0.417 -7.209 512 HG3 GLN 59 1HG GLN 59 9.943 0.361 -7.476 513 HE21 GLN 59 1HE2 GLN 59 8.071 -2.534 -7.061 514 HE22 GLN 59 2HE2 GLN 59 8.183 -3.062 -8.678 515 H GLU 60 H GLU 60 10.192 2.287 -5.716 516 HA GLU 60 HA GLU 60 12.963 1.852 -5.180 517 HB2 GLU 60 2HB GLU 60 12.211 3.114 -7.188 518 HB3 GLU 60 1HB GLU 60 11.539 4.353 -6.138 519 HG2 GLU 60 2HG GLU 60 13.798 4.849 -5.316 520 HG3 GLU 60 1HG GLU 60 14.442 3.630 -6.410 521 H TYR 61 H TYR 61 10.486 2.743 -3.339 522 HA TYR 61 HA TYR 61 12.060 4.513 -1.645 523 HB2 TYR 61 2HB TYR 61 9.905 5.419 -2.338 524 HB3 TYR 61 1HB TYR 61 9.085 3.966 -1.812 525 HD1 TYR 61 1HD TYR 61 8.868 3.527 0.486 526 HD2 TYR 61 2HD TYR 61 10.414 7.195 -0.829 527 HE1 TYR 61 1HE TYR 61 8.430 4.530 2.774 528 HE2 TYR 61 2HE TYR 61 10.017 8.215 1.357 529 HH TYR 61 HH TYR 61 9.256 6.382 4.103 530 H LEU 62 H LEU 62 9.587 2.033 -1.178 531 HA LEU 62 HA LEU 62 10.514 1.545 1.469 532 HB2 LEU 62 2HB LEU 62 8.139 1.379 0.134 533 HB3 LEU 62 1HB LEU 62 8.656 -0.255 0.141 534 HG LEU 62 HG LEU 62 7.117 0.276 2.017 535 HD11 LEU 62 1HD1 LEU 62 8.571 -1.675 2.178 536 HD12 LEU 62 2HD1 LEU 62 8.381 -0.910 3.760 537 HD13 LEU 62 3HD1 LEU 62 9.858 -0.665 2.832 538 HD21 LEU 62 3HD2 LEU 62 9.460 1.820 3.019 539 HD22 LEU 62 1HD2 LEU 62 7.995 1.483 3.951 540 HD23 LEU 62 2HD2 LEU 62 7.923 2.482 2.481 541 H GLU 63 H GLU 63 11.144 0.282 -1.583 542 HA GLU 63 HA GLU 63 12.185 -2.135 -0.329 543 HB2 GLU 63 2HB GLU 63 11.126 -1.753 -3.097 544 HB3 GLU 63 1HB GLU 63 12.249 -3.063 -2.755 545 HG2 GLU 63 2HG GLU 63 9.647 -2.648 -1.277 546 HG3 GLU 63 1HG GLU 63 9.848 -3.740 -2.648 547 H LYS 64 H LYS 64 13.064 0.553 -2.320 548 HA LYS 64 HA LYS 64 15.699 -0.650 -2.611 549 HB2 LYS 64 2HB LYS 64 14.674 1.930 -3.804 550 HB3 LYS 64 1HB LYS 64 16.287 1.284 -4.057 551 HG2 LYS 64 2HG LYS 64 13.706 -0.032 -4.902 552 HG3 LYS 64 1HG LYS 64 14.829 0.826 -5.962 553 HD2 LYS 64 2HD LYS 64 16.558 -0.848 -5.391 554 HD3 LYS 64 1HD LYS 64 15.368 -1.708 -4.409 555 HE2 LYS 64 2HE LYS 64 13.966 -2.011 -6.401 556 HE3 LYS 64 1HE LYS 64 15.176 -1.182 -7.375 557 HZ1 LYS 64 3HZ LYS 64 16.760 -2.943 -6.764 558 HZ2 LYS 64 1HZ LYS 64 15.429 -3.537 -7.596 559 HZ3 LYS 64 2HZ LYS 64 15.533 -3.767 -5.943 560 H ALA 65 H ALA 65 14.138 1.780 -0.771 561 HA ALA 65 HA ALA 65 16.764 2.693 0.193 562 HB1 ALA 65 1HB ALA 65 15.177 4.422 -0.506 563 HB2 ALA 65 2HB ALA 65 15.603 4.574 1.198 564 HB3 ALA 65 3HB ALA 65 14.046 3.873 0.729 565 H LEU 66 H LEU 66 13.776 1.267 1.236 566 HA LEU 66 HA LEU 66 14.695 1.143 3.978 567 HB2 LEU 66 2HB LEU 66 12.080 0.560 2.709 568 HB3 LEU 66 1HB LEU 66 12.376 0.005 4.319 569 HG LEU 66 HG LEU 66 11.097 2.064 4.436 570 HD11 LEU 66 1HD1 LEU 66 12.505 3.524 5.745 571 HD12 LEU 66 2HD1 LEU 66 13.941 2.676 5.175 572 HD13 LEU 66 3HD1 LEU 66 12.742 1.826 6.153 573 HD21 LEU 66 3HD2 LEU 66 11.874 4.194 3.515 574 HD22 LEU 66 1HD2 LEU 66 11.628 3.013 2.231 575 HD23 LEU 66 2HD2 LEU 66 13.256 3.378 2.790 576 H ASN 67 H ASN 67 15.117 -0.773 1.441 577 HA ASN 67 HA ASN 67 15.296 -3.105 3.228 578 HB2 ASN 67 2HB ASN 67 13.209 -3.019 1.739 579 HB3 ASN 67 1HB ASN 67 14.311 -3.234 0.411 580 HD21 ASN 67 1HD2 ASN 67 12.213 -4.819 1.445 581 HD22 ASN 67 2HD2 ASN 67 12.843 -6.423 1.704 582 H LYS 68 H LYS 68 15.864 -2.015 -0.028 583 HA LYS 68 HA LYS 68 17.323 -2.599 -1.589 584 HB2 LYS 68 2HB LYS 68 19.649 -1.787 -1.220 585 HB3 LYS 68 1HB LYS 68 18.410 -0.639 -0.778 586 HG2 LYS 68 2HG LYS 68 18.775 -1.101 1.563 587 HG3 LYS 68 1HG LYS 68 19.954 -2.354 1.151 588 HD2 LYS 68 2HD LYS 68 21.327 -0.690 0.047 589 HD3 LYS 68 1HD LYS 68 20.164 0.567 0.467 590 HE2 LYS 68 2HE LYS 68 20.572 0.155 2.831 591 HE3 LYS 68 1HE LYS 68 21.704 -1.136 2.422 592 HZ1 LYS 68 3HZ LYS 68 22.863 0.914 2.910 593 HZ2 LYS 68 1HZ LYS 68 22.019 1.724 1.699 594 HZ3 LYS 68 2HZ LYS 68 23.082 0.486 1.301 Start of MODEL 14 1 H1 LYS 1 1HT LYS 1 -18.916 -8.878 9.729 2 H2 LYS 1 2HT LYS 1 -20.469 -8.312 9.586 3 H3 LYS 1 3HT LYS 1 -19.284 -7.868 8.436 4 HA LYS 1 HA LYS 1 -20.402 -10.570 8.904 5 HB2 LYS 1 2HB LYS 1 -20.520 -8.752 6.505 6 HB3 LYS 1 1HB LYS 1 -21.046 -10.418 6.529 7 HG2 LYS 1 2HG LYS 1 -22.787 -9.817 8.151 8 HG3 LYS 1 1HG LYS 1 -22.261 -8.124 8.056 9 HD2 LYS 1 2HD LYS 1 -22.688 -8.095 5.668 10 HD3 LYS 1 1HD LYS 1 -23.150 -9.789 5.706 11 HE2 LYS 1 2HE LYS 1 -25.048 -9.231 7.142 12 HE3 LYS 1 1HE LYS 1 -24.584 -7.530 7.100 13 HZ1 LYS 1 2HZ LYS 1 -26.329 -8.032 5.470 14 HZ2 LYS 1 3HZ LYS 1 -25.323 -9.168 4.743 15 HZ3 LYS 1 1HZ LYS 1 -24.894 -7.540 4.709 16 HA PRO 2 HA PRO 2 -16.595 -11.705 6.822 17 HB2 PRO 2 2HB PRO 2 -17.240 -14.467 7.007 18 HB3 PRO 2 1HB PRO 2 -16.169 -13.568 8.081 19 HG2 PRO 2 2HG PRO 2 -18.649 -14.687 8.771 20 HG3 PRO 2 1HG PRO 2 -17.731 -13.520 9.730 21 HD2 PRO 2 2HD PRO 2 -20.071 -13.092 7.949 22 HD3 PRO 2 1HD PRO 2 -19.564 -12.218 9.415 23 H VAL 3 H VAL 3 -16.932 -11.184 4.701 24 HA VAL 3 HA VAL 3 -19.137 -12.312 3.269 25 HB VAL 3 HB VAL 3 -16.848 -10.631 2.199 26 HG11 VAL 3 1HG1 VAL 3 -17.956 -11.917 0.445 27 HG12 VAL 3 2HG1 VAL 3 -18.326 -10.199 0.291 28 HG13 VAL 3 3HG1 VAL 3 -19.521 -11.305 0.968 29 HG21 VAL 3 3HG2 VAL 3 -18.121 -9.430 3.893 30 HG22 VAL 3 1HG2 VAL 3 -19.627 -9.822 3.062 31 HG23 VAL 3 2HG2 VAL 3 -18.448 -8.764 2.292 32 H SER 4 H SER 4 -19.027 -14.358 2.947 33 HA SER 4 HA SER 4 -18.508 -16.364 2.068 34 HB2 SER 4 2HB SER 4 -16.399 -14.861 0.497 35 HB3 SER 4 1HB SER 4 -17.017 -16.473 0.127 36 HG SER 4 HG SER 4 -19.144 -15.149 0.245 37 H LEU 5 H LEU 5 -16.752 -18.075 2.036 38 HA LEU 5 HA LEU 5 -14.913 -17.550 4.207 39 HB2 LEU 5 2HB LEU 5 -15.551 -20.148 2.782 40 HB3 LEU 5 1HB LEU 5 -14.446 -19.985 4.133 41 HG LEU 5 HG LEU 5 -17.426 -19.528 4.208 42 HD11 LEU 5 1HD1 LEU 5 -15.719 -21.721 5.362 43 HD12 LEU 5 2HD1 LEU 5 -16.844 -21.869 4.012 44 HD13 LEU 5 3HD1 LEU 5 -17.450 -21.517 5.630 45 HD21 LEU 5 3HD2 LEU 5 -17.128 -19.322 6.639 46 HD22 LEU 5 1HD2 LEU 5 -16.293 -18.039 5.769 47 HD23 LEU 5 2HD2 LEU 5 -15.380 -19.400 6.426 48 H SER 6 H SER 6 -13.794 -16.107 2.987 49 HA SER 6 HA SER 6 -11.583 -17.199 1.477 50 HB2 SER 6 2HB SER 6 -13.453 -15.102 0.308 51 HB3 SER 6 1HB SER 6 -11.989 -15.722 -0.444 52 HG SER 6 HG SER 6 -13.499 -17.773 0.177 53 H TYR 7 H TYR 7 -10.727 -14.652 0.549 54 HA TYR 7 HA TYR 7 -9.800 -12.724 1.041 55 HB2 TYR 7 2HB TYR 7 -12.118 -12.147 1.784 56 HB3 TYR 7 1HB TYR 7 -11.624 -12.680 3.386 57 HD1 TYR 7 1HD TYR 7 -11.063 -10.225 0.769 58 HD2 TYR 7 2HD TYR 7 -10.455 -11.163 4.841 59 HE1 TYR 7 1HE TYR 7 -10.320 -7.900 1.177 60 HE2 TYR 7 2HE TYR 7 -9.704 -8.841 5.284 61 HH TYR 7 HH TYR 7 -8.730 -6.966 3.962 62 H ARG 8 H ARG 8 -7.953 -13.457 1.255 63 HA ARG 8 HA ARG 8 -7.048 -13.792 4.019 64 HB2 ARG 8 2HB ARG 8 -5.411 -15.338 3.403 65 HB3 ARG 8 1HB ARG 8 -6.862 -15.868 2.599 66 HG2 ARG 8 2HG ARG 8 -4.569 -14.400 1.267 67 HG3 ARG 8 1HG ARG 8 -4.807 -16.136 1.223 68 HD2 ARG 8 2HD ARG 8 -6.896 -15.795 -0.014 69 HD3 ARG 8 1HD ARG 8 -6.656 -14.048 0.061 70 HE ARG 8 HE ARG 8 -4.394 -15.321 -1.046 71 HH11 ARG 8 1HH1 ARG 8 -7.710 -14.477 -1.956 72 HH12 ARG 8 2HH1 ARG 8 -7.340 -14.273 -3.609 73 HH21 ARG 8 1HH2 ARG 8 -3.907 -15.017 -3.357 74 HH22 ARG 8 2HH2 ARG 8 -5.150 -14.566 -4.399 75 H CYS 9 H CYS 9 -7.180 -11.601 1.760 76 HA CYS 9 HA CYS 9 -4.389 -10.725 1.980 77 HB2 CYS 9 2HB CYS 9 -6.518 -9.837 0.031 78 HB3 CYS 9 1HB CYS 9 -4.808 -9.429 -0.014 79 HA PRO 10 HA PRO 10 -6.032 -7.367 4.520 80 HB2 PRO 10 2HB PRO 10 -3.670 -5.831 3.727 81 HB3 PRO 10 1HB PRO 10 -4.127 -6.414 5.328 82 HG2 PRO 10 2HG PRO 10 -2.045 -7.439 3.873 83 HG3 PRO 10 1HG PRO 10 -2.936 -8.361 5.092 84 HD2 PRO 10 2HD PRO 10 -3.052 -8.544 2.131 85 HD3 PRO 10 1HD PRO 10 -3.347 -9.755 3.379 86 H CYS 11 H CYS 11 -4.853 -6.910 1.244 87 HA CYS 11 HA CYS 11 -6.506 -4.532 1.069 88 HB2 CYS 11 2HB CYS 11 -4.160 -5.372 -0.627 89 HB3 CYS 11 1HB CYS 11 -5.139 -3.938 -0.913 90 H ARG 12 H ARG 12 -8.295 -4.779 0.173 91 HA ARG 12 HA ARG 12 -8.828 -6.972 -1.663 92 HB2 ARG 12 2HB ARG 12 -10.410 -6.283 0.220 93 HB3 ARG 12 1HB ARG 12 -10.677 -4.806 -0.665 94 HG2 ARG 12 2HG ARG 12 -12.484 -6.394 -1.027 95 HG3 ARG 12 1HG ARG 12 -11.630 -6.029 -2.531 96 HD2 ARG 12 2HD ARG 12 -10.385 -8.098 -2.362 97 HD3 ARG 12 1HD ARG 12 -11.137 -8.461 -0.808 98 HE ARG 12 HE ARG 12 -13.235 -8.214 -2.425 99 HH11 ARG 12 1HH1 ARG 12 -10.205 -10.017 -2.785 100 HH12 ARG 12 2HH1 ARG 12 -10.878 -11.298 -3.673 101 HH21 ARG 12 1HH2 ARG 12 -14.201 -9.995 -3.628 102 HH22 ARG 12 2HH2 ARG 12 -13.261 -11.282 -4.176 103 H PHE 13 H PHE 13 -8.306 -3.558 -1.517 104 HA PHE 13 HA PHE 13 -8.555 -3.334 -4.423 105 HB2 PHE 13 2HB PHE 13 -9.553 -1.292 -2.413 106 HB3 PHE 13 1HB PHE 13 -9.531 -1.080 -4.155 107 HD1 PHE 13 2HD PHE 13 -10.995 -2.556 -5.567 108 HD2 PHE 13 1HD PHE 13 -11.332 -2.376 -1.332 109 HE1 PHE 13 2HE PHE 13 -13.245 -3.537 -5.707 110 HE2 PHE 13 1HE PHE 13 -13.582 -3.360 -1.466 111 HZ PHE 13 HZ PHE 13 -14.540 -3.943 -3.651 112 H PHE 14 H PHE 14 -7.201 -1.691 -5.308 113 HA PHE 14 HA PHE 14 -5.061 -0.728 -3.564 114 HB2 PHE 14 2HB PHE 14 -4.845 -1.891 -6.333 115 HB3 PHE 14 1HB PHE 14 -3.560 -0.984 -5.549 116 HD1 PHE 14 2HD PHE 14 -2.652 -1.837 -3.432 117 HD2 PHE 14 1HD PHE 14 -5.142 -4.165 -5.923 118 HE1 PHE 14 2HE PHE 14 -1.815 -3.816 -2.348 119 HE2 PHE 14 1HE PHE 14 -4.318 -6.223 -4.837 120 HZ PHE 14 HZ PHE 14 -2.636 -6.061 -3.043 121 H GLU 15 H GLU 15 -4.390 1.359 -3.968 122 HA GLU 15 HA GLU 15 -5.768 2.803 -6.091 123 HB2 GLU 15 2HB GLU 15 -6.305 3.612 -3.833 124 HB3 GLU 15 1HB GLU 15 -4.618 3.779 -3.457 125 HG2 GLU 15 2HG GLU 15 -5.686 5.943 -3.960 126 HG3 GLU 15 1HG GLU 15 -4.367 5.571 -5.062 127 H SER 16 H SER 16 -4.580 3.669 -7.636 128 HA SER 16 HA SER 16 -1.712 3.227 -7.580 129 HB2 SER 16 2HB SER 16 -1.988 3.686 -10.035 130 HB3 SER 16 1HB SER 16 -2.869 2.273 -9.439 131 HG SER 16 HG SER 16 -4.053 3.838 -10.834 132 H HIS 17 H HIS 17 -4.041 5.702 -7.278 133 HA HIS 17 HA HIS 17 -2.323 7.802 -8.312 134 HB2 HIS 17 2HB HIS 17 -5.110 7.837 -7.188 135 HB3 HIS 17 1HB HIS 17 -4.256 9.305 -7.625 136 HD1 HIS 17 1HD HIS 17 -4.465 10.032 -9.970 137 HD2 HIS 17 2HD HIS 17 -5.456 6.058 -9.434 138 HE1 HIS 17 1HE HIS 17 -5.370 9.273 -12.199 139 HE2 HIS 17 2HE HIS 17 -6.304 6.998 -11.690 140 H VAL 18 H VAL 18 -1.663 6.286 -5.725 141 HA VAL 18 HA VAL 18 -1.795 8.357 -3.756 142 HB VAL 18 HB VAL 18 -0.244 5.756 -3.762 143 HG11 VAL 18 1HG1 VAL 18 0.638 7.377 -2.184 144 HG12 VAL 18 2HG1 VAL 18 -0.155 6.045 -1.351 145 HG13 VAL 18 3HG1 VAL 18 -0.973 7.601 -1.506 146 HG21 VAL 18 3HG2 VAL 18 -2.949 6.407 -2.598 147 HG22 VAL 18 1HG2 VAL 18 -2.067 4.906 -2.340 148 HG23 VAL 18 2HG2 VAL 18 -2.621 5.332 -3.958 149 H ALA 19 H ALA 19 -0.281 9.869 -3.353 150 HA ALA 19 HA ALA 19 2.250 9.776 -4.857 151 HB1 ALA 19 1HB ALA 19 0.800 11.706 -5.376 152 HB2 ALA 19 2HB ALA 19 2.293 12.213 -4.567 153 HB3 ALA 19 3HB ALA 19 0.788 12.117 -3.655 154 H ARG 20 H ARG 20 4.148 9.879 -3.721 155 HA ARG 20 HA ARG 20 4.210 9.045 -1.052 156 HB2 ARG 20 2HB ARG 20 6.070 8.614 -2.539 157 HB3 ARG 20 1HB ARG 20 6.401 10.325 -2.705 158 HG2 ARG 20 2HG ARG 20 6.984 10.410 -0.287 159 HG3 ARG 20 1HG ARG 20 6.683 8.684 -0.203 160 HD2 ARG 20 2HD ARG 20 8.477 8.217 -1.700 161 HD3 ARG 20 1HD ARG 20 8.712 9.934 -2.045 162 HE ARG 20 HE ARG 20 8.977 9.667 0.667 163 HH11 ARG 20 1HH1 ARG 20 10.657 8.261 -2.124 164 HH12 ARG 20 2HH1 ARG 20 12.151 8.172 -1.344 165 HH21 ARG 20 1HH2 ARG 20 11.001 9.553 1.725 166 HH22 ARG 20 2HH2 ARG 20 12.364 8.914 0.920 167 H ALA 21 H ALA 21 4.241 12.207 -2.435 168 HA ALA 21 HA ALA 21 5.139 13.727 -0.253 169 HB1 ALA 21 1HB ALA 21 4.107 15.623 -1.388 170 HB2 ALA 21 2HB ALA 21 3.204 14.516 -2.419 171 HB3 ALA 21 3HB ALA 21 4.965 14.588 -2.530 172 H ASN 22 H ASN 22 2.036 12.334 -0.998 173 HA ASN 22 HA ASN 22 0.773 13.795 1.207 174 HB2 ASN 22 2HB ASN 22 -0.343 13.844 -1.005 175 HB3 ASN 22 1HB ASN 22 -0.456 12.095 -0.979 176 HD21 ASN 22 1HD2 ASN 22 -2.645 12.182 -1.199 177 HD22 ASN 22 2HD2 ASN 22 -3.730 12.659 0.058 178 H VAL 23 H VAL 23 2.414 11.034 0.710 179 HA VAL 23 HA VAL 23 0.790 9.338 2.429 180 HB VAL 23 HB VAL 23 3.582 8.838 1.339 181 HG11 VAL 23 1HG1 VAL 23 3.167 6.519 1.974 182 HG12 VAL 23 2HG1 VAL 23 1.638 6.991 2.712 183 HG13 VAL 23 3HG1 VAL 23 3.159 7.585 3.386 184 HG21 VAL 23 3HG2 VAL 23 1.906 8.951 -0.409 185 HG22 VAL 23 1HG2 VAL 23 0.910 7.787 0.457 186 HG23 VAL 23 2HG2 VAL 23 2.476 7.301 -0.191 187 H LYS 24 H LYS 24 0.833 9.494 4.574 188 HA LYS 24 HA LYS 24 2.712 11.098 5.964 189 HB2 LYS 24 2HB LYS 24 0.243 10.641 6.522 190 HB3 LYS 24 1HB LYS 24 0.756 9.077 7.023 191 HG2 LYS 24 2HG LYS 24 2.147 9.936 8.659 192 HG3 LYS 24 1HG LYS 24 1.738 11.588 8.162 193 HD2 LYS 24 2HD LYS 24 -0.268 9.556 8.762 194 HD3 LYS 24 1HD LYS 24 0.445 10.586 10.034 195 HE2 LYS 24 2HE LYS 24 -0.418 12.537 8.574 196 HE3 LYS 24 1HE LYS 24 -1.247 11.309 7.622 197 HZ1 LYS 24 3HZ LYS 24 -2.698 12.337 9.261 198 HZ2 LYS 24 1HZ LYS 24 -1.681 11.816 10.490 199 HZ3 LYS 24 2HZ LYS 24 -2.537 10.690 9.607 200 H ARG 25 H ARG 25 1.965 7.656 5.894 201 HA ARG 25 HA ARG 25 4.712 6.914 5.925 202 HB2 ARG 25 2HB ARG 25 4.220 7.348 8.372 203 HB3 ARG 25 1HB ARG 25 2.999 6.094 8.291 204 HG2 ARG 25 2HG ARG 25 5.060 5.244 9.287 205 HG3 ARG 25 1HG ARG 25 4.714 4.432 7.753 206 HD2 ARG 25 2HD ARG 25 6.287 5.886 6.610 207 HD3 ARG 25 1HD ARG 25 6.617 6.743 8.114 208 HE ARG 25 HE ARG 25 7.209 4.131 8.638 209 HH11 ARG 25 1HH1 ARG 25 8.220 6.432 6.144 210 HH12 ARG 25 2HH1 ARG 25 9.791 5.802 6.034 211 HH21 ARG 25 1HH2 ARG 25 9.350 3.294 8.464 212 HH22 ARG 25 2HH2 ARG 25 10.476 3.989 7.396 213 H LEU 26 H LEU 26 4.904 4.772 5.103 214 HA LEU 26 HA LEU 26 2.397 3.350 4.745 215 HB2 LEU 26 2HB LEU 26 2.687 3.011 2.452 216 HB3 LEU 26 1HB LEU 26 2.776 4.723 2.731 217 HG LEU 26 HG LEU 26 5.111 2.892 2.162 218 HD11 LEU 26 1HD1 LEU 26 5.116 4.050 0.003 219 HD12 LEU 26 2HD1 LEU 26 3.629 4.867 0.501 220 HD13 LEU 26 3HD1 LEU 26 3.658 3.109 0.334 221 HD21 LEU 26 3HD2 LEU 26 5.052 5.914 2.265 222 HD22 LEU 26 1HD2 LEU 26 6.411 4.888 1.821 223 HD23 LEU 26 2HD2 LEU 26 5.809 4.868 3.482 224 H LYS 27 H LYS 27 2.712 1.149 4.029 225 HA LYS 27 HA LYS 27 5.392 0.094 4.482 226 HB2 LYS 27 2HB LYS 27 2.934 -1.130 5.758 227 HB3 LYS 27 1HB LYS 27 4.551 -1.784 5.811 228 HG2 LYS 27 2HG LYS 27 4.276 -0.916 7.864 229 HG3 LYS 27 1HG LYS 27 5.129 0.390 7.060 230 HD2 LYS 27 2HD LYS 27 3.008 1.574 6.667 231 HD3 LYS 27 1HD LYS 27 2.121 0.271 7.460 232 HE2 LYS 27 2HE LYS 27 3.378 0.732 9.527 233 HE3 LYS 27 1HE LYS 27 4.169 2.086 8.722 234 HZ1 LYS 27 3HZ LYS 27 1.941 3.122 8.451 235 HZ2 LYS 27 1HZ LYS 27 2.310 2.830 10.062 236 HZ3 LYS 27 2HZ LYS 27 1.257 1.823 9.266 237 H ILE 28 H ILE 28 5.759 -1.835 3.503 238 HA ILE 28 HA ILE 28 3.705 -2.759 1.605 239 HB ILE 28 HB ILE 28 6.730 -3.136 1.480 240 HG12 ILE 28 2HG1 ILE 28 4.818 -1.613 -0.296 241 HG13 ILE 28 1HG1 ILE 28 6.154 -1.002 0.661 242 HG21 ILE 28 1HG2 ILE 28 4.676 -4.341 -0.377 243 HG22 ILE 28 2HG2 ILE 28 5.738 -5.213 0.746 244 HG23 ILE 28 3HG2 ILE 28 6.425 -4.322 -0.620 245 HD11 ILE 28 3HD1 ILE 28 6.712 -1.039 -1.710 246 HD12 ILE 28 1HD1 ILE 28 6.411 -2.770 -1.769 247 HD13 ILE 28 2HD1 ILE 28 7.750 -2.141 -0.806 248 H LEU 29 H LEU 29 2.654 -4.391 2.424 249 HA LEU 29 HA LEU 29 4.003 -6.061 4.382 250 HB2 LEU 29 2HB LEU 29 1.640 -4.919 4.651 251 HB3 LEU 29 1HB LEU 29 1.097 -6.211 3.612 252 HG LEU 29 HG LEU 29 2.332 -6.552 6.352 253 HD11 LEU 29 1HD1 LEU 29 -0.511 -6.869 5.433 254 HD12 LEU 29 2HD1 LEU 29 0.129 -5.604 6.482 255 HD13 LEU 29 3HD1 LEU 29 0.106 -7.278 7.033 256 HD21 LEU 29 3HD2 LEU 29 1.682 -8.900 6.169 257 HD22 LEU 29 1HD2 LEU 29 2.831 -8.464 4.899 258 HD23 LEU 29 2HD2 LEU 29 1.105 -8.608 4.533 259 H ASN 30 H ASN 30 5.001 -7.664 3.483 260 HA ASN 30 HA ASN 30 4.327 -8.661 0.841 261 HB2 ASN 30 2HB ASN 30 6.550 -9.469 2.737 262 HB3 ASN 30 1HB ASN 30 6.387 -10.005 1.078 263 HD21 ASN 30 1HD2 ASN 30 6.956 -8.607 -0.558 264 HD22 ASN 30 2HD2 ASN 30 7.816 -7.143 -0.327 265 H THR 31 H THR 31 2.533 -10.091 0.889 266 HA THR 31 HA THR 31 2.771 -12.101 2.933 267 HB THR 31 HB THR 31 0.493 -12.746 2.372 268 HG1 THR 31 1HG THR 31 -0.520 -10.676 1.200 269 HG21 THR 31 3HG2 THR 31 0.786 -9.838 3.069 270 HG22 THR 31 1HG2 THR 31 0.868 -11.180 4.213 271 HG23 THR 31 2HG2 THR 31 -0.649 -10.812 3.387 272 HA PRO 32 HA PRO 32 4.004 -14.822 -0.395 273 HB2 PRO 32 2HB PRO 32 3.951 -17.039 1.409 274 HB3 PRO 32 1HB PRO 32 5.362 -16.152 0.839 275 HG2 PRO 32 2HG PRO 32 4.352 -16.141 3.451 276 HG3 PRO 32 1HG PRO 32 5.519 -14.974 2.787 277 HD2 PRO 32 2HD PRO 32 2.627 -14.744 3.310 278 HD3 PRO 32 1HD PRO 32 3.917 -13.513 3.296 279 H ASN 33 H ASN 33 1.201 -14.765 1.280 280 HA ASN 33 HA ASN 33 0.001 -17.108 -0.021 281 HB2 ASN 33 2HB ASN 33 -1.931 -16.767 1.418 282 HB3 ASN 33 1HB ASN 33 -0.468 -16.779 2.400 283 HD21 ASN 33 1HD2 ASN 33 0.245 -14.822 3.342 284 HD22 ASN 33 2HD2 ASN 33 -0.821 -13.472 3.370 285 H CYS 34 H CYS 34 -0.089 -13.581 0.027 286 HA CYS 34 HA CYS 34 -2.186 -13.758 -2.019 287 HB2 CYS 34 2HB CYS 34 -2.550 -12.301 0.217 288 HB3 CYS 34 1HB CYS 34 -1.447 -11.290 -0.564 289 H ALA 35 H ALA 35 0.152 -11.146 -1.267 290 HA ALA 35 HA ALA 35 1.690 -11.210 -3.566 291 HB1 ALA 35 1HB ALA 35 -0.816 -9.497 -3.743 292 HB2 ALA 35 2HB ALA 35 -0.437 -10.871 -4.775 293 HB3 ALA 35 3HB ALA 35 0.540 -9.410 -4.867 294 H LEU 36 H LEU 36 1.790 -8.400 -3.948 295 HA LEU 36 HA LEU 36 2.868 -7.501 -1.409 296 HB2 LEU 36 2HB LEU 36 2.731 -6.157 -4.093 297 HB3 LEU 36 1HB LEU 36 3.541 -5.514 -2.683 298 HG LEU 36 HG LEU 36 4.307 -7.972 -4.237 299 HD11 LEU 36 1HD1 LEU 36 5.586 -5.279 -3.884 300 HD12 LEU 36 2HD1 LEU 36 4.800 -5.874 -5.343 301 HD13 LEU 36 3HD1 LEU 36 6.289 -6.638 -4.764 302 HD21 LEU 36 3HD2 LEU 36 4.732 -8.283 -1.881 303 HD22 LEU 36 1HD2 LEU 36 5.532 -6.714 -1.802 304 HD23 LEU 36 2HD2 LEU 36 6.249 -8.029 -2.743 305 H GLN 37 H GLN 37 1.479 -6.632 0.004 306 HA GLN 37 HA GLN 37 -0.575 -4.880 -1.121 307 HB2 GLN 37 2HB GLN 37 -0.462 -6.186 1.613 308 HB3 GLN 37 1HB GLN 37 -1.639 -4.970 1.161 309 HG2 GLN 37 2HG GLN 37 -2.721 -7.073 0.982 310 HG3 GLN 37 1HG GLN 37 -2.420 -6.503 -0.642 311 HE21 GLN 37 1HE2 GLN 37 0.041 -7.953 1.412 312 HE22 GLN 37 2HE2 GLN 37 0.275 -9.313 0.378 313 H ILE 38 H ILE 38 -0.299 -2.839 -0.884 314 HA ILE 38 HA ILE 38 1.728 -1.903 1.038 315 HB ILE 38 HB ILE 38 0.835 -0.539 -1.502 316 HG12 ILE 38 2HG1 ILE 38 3.235 -2.347 -1.110 317 HG13 ILE 38 1HG1 ILE 38 1.801 -2.726 -2.037 318 HG21 ILE 38 1HG2 ILE 38 3.281 -0.219 0.268 319 HG22 ILE 38 2HG2 ILE 38 1.916 0.894 0.184 320 HG23 ILE 38 3HG2 ILE 38 2.977 0.684 -1.214 321 HD11 ILE 38 3HD1 ILE 38 3.678 -0.485 -2.614 322 HD12 ILE 38 1HD1 ILE 38 2.286 -0.954 -3.597 323 HD13 ILE 38 2HD1 ILE 38 3.676 -2.042 -3.436 324 H VAL 39 H VAL 39 1.137 -0.021 2.223 325 HA VAL 39 HA VAL 39 -1.681 0.771 1.962 326 HB VAL 39 HB VAL 39 -1.899 0.867 4.453 327 HG11 VAL 39 1HG1 VAL 39 -2.803 -1.033 3.231 328 HG12 VAL 39 2HG1 VAL 39 -2.182 -1.547 4.798 329 HG13 VAL 39 3HG1 VAL 39 -1.249 -1.858 3.331 330 HG21 VAL 39 3HG2 VAL 39 -0.301 -0.378 5.854 331 HG22 VAL 39 1HG2 VAL 39 0.473 0.985 5.048 332 HG23 VAL 39 2HG2 VAL 39 0.721 -0.650 4.441 333 H ALA 40 H ALA 40 -2.044 2.908 1.917 334 HA ALA 40 HA ALA 40 0.166 4.693 2.740 335 HB1 ALA 40 1HB ALA 40 -1.874 5.155 0.571 336 HB2 ALA 40 2HB ALA 40 -0.275 4.590 0.266 337 HB3 ALA 40 3HB ALA 40 -0.514 6.190 0.959 338 H ARG 41 H ARG 41 -0.409 5.881 4.474 339 HA ARG 41 HA ARG 41 -3.209 6.671 4.602 340 HB2 ARG 41 2HB ARG 41 -2.419 5.703 6.737 341 HB3 ARG 41 1HB ARG 41 -1.117 6.891 6.769 342 HG2 ARG 41 2HG ARG 41 -2.539 8.632 7.173 343 HG3 ARG 41 1HG ARG 41 -3.977 7.743 6.689 344 HD2 ARG 41 2HD ARG 41 -3.896 8.023 9.117 345 HD3 ARG 41 1HD ARG 41 -3.743 6.325 8.693 346 HE ARG 41 HE ARG 41 -1.191 7.375 8.931 347 HH11 ARG 41 1HH1 ARG 41 -3.992 6.770 11.021 348 HH12 ARG 41 2HH1 ARG 41 -3.055 6.540 12.435 349 HH21 ARG 41 1HH2 ARG 41 0.076 7.058 10.876 350 HH22 ARG 41 2HH2 ARG 41 -0.711 6.698 12.343 351 H LEU 42 H LEU 42 -3.796 8.516 4.137 352 HA LEU 42 HA LEU 42 -1.923 10.300 2.883 353 HB2 LEU 42 2HB LEU 42 -4.818 10.769 3.479 354 HB3 LEU 42 1HB LEU 42 -3.932 11.753 2.369 355 HG LEU 42 HG LEU 42 -5.135 9.101 2.103 356 HD11 LEU 42 1HD1 LEU 42 -5.654 9.799 -0.195 357 HD12 LEU 42 2HD1 LEU 42 -4.897 11.344 0.167 358 HD13 LEU 42 3HD1 LEU 42 -6.332 10.828 1.051 359 HD21 LEU 42 3HD2 LEU 42 -2.663 9.777 0.491 360 HD22 LEU 42 1HD2 LEU 42 -3.750 8.437 0.128 361 HD23 LEU 42 2HD2 LEU 42 -2.838 8.450 1.640 362 H LYS 43 H LYS 43 -1.083 12.181 3.564 363 HA LYS 43 HA LYS 43 -1.123 12.861 6.329 364 HB2 LYS 43 2HB LYS 43 -0.220 14.538 3.960 365 HB3 LYS 43 1HB LYS 43 0.155 14.879 5.637 366 HG2 LYS 43 2HG LYS 43 1.435 12.917 5.802 367 HG3 LYS 43 1HG LYS 43 1.049 12.502 4.123 368 HD2 LYS 43 2HD LYS 43 2.115 14.452 3.307 369 HD3 LYS 43 1HD LYS 43 2.306 15.109 4.937 370 HE2 LYS 43 2HE LYS 43 3.635 13.371 5.525 371 HE3 LYS 43 1HE LYS 43 3.554 12.570 3.945 372 HZ1 LYS 43 3HZ LYS 43 4.790 15.249 4.525 373 HZ2 LYS 43 1HZ LYS 43 4.604 14.597 2.979 374 HZ3 LYS 43 2HZ LYS 43 5.603 13.842 4.076 375 H ASN 44 H ASN 44 -2.643 14.109 3.442 376 HA ASN 44 HA ASN 44 -3.945 16.328 4.733 377 HB2 ASN 44 2HB ASN 44 -3.154 16.490 2.431 378 HB3 ASN 44 1HB ASN 44 -4.230 15.196 1.946 379 HD21 ASN 44 1HD2 ASN 44 -3.980 18.517 2.863 380 HD22 ASN 44 2HD2 ASN 44 -5.556 19.000 2.371 381 H ASN 45 H ASN 45 -4.950 13.227 3.401 382 HA ASN 45 HA ASN 45 -7.691 13.802 4.138 383 HB2 ASN 45 2HB ASN 45 -7.149 12.834 1.906 384 HB3 ASN 45 1HB ASN 45 -6.618 11.397 2.777 385 HD21 ASN 45 1HD2 ASN 45 -8.159 10.197 1.495 386 HD22 ASN 45 2HD2 ASN 45 -9.812 10.241 1.924 387 H ASN 46 H ASN 46 -5.037 12.059 5.304 388 HA ASN 46 HA ASN 46 -4.578 10.748 7.024 389 HB2 ASN 46 2HB ASN 46 -5.849 12.575 8.269 390 HB3 ASN 46 1HB ASN 46 -7.245 11.500 8.252 391 HD21 ASN 46 1HD2 ASN 46 -7.321 11.228 10.458 392 HD22 ASN 46 2HD2 ASN 46 -6.121 10.361 11.351 393 H ARG 47 H ARG 47 -6.648 9.860 4.844 394 HA ARG 47 HA ARG 47 -7.609 7.477 6.233 395 HB2 ARG 47 2HB ARG 47 -8.128 8.347 3.387 396 HB3 ARG 47 1HB ARG 47 -8.748 6.887 4.114 397 HG2 ARG 47 2HG ARG 47 -10.007 8.277 5.745 398 HG3 ARG 47 1HG ARG 47 -9.453 9.712 4.876 399 HD2 ARG 47 2HD ARG 47 -10.484 8.864 2.832 400 HD3 ARG 47 1HD ARG 47 -11.050 7.447 3.693 401 HE ARG 47 HE ARG 47 -11.961 9.777 4.990 402 HH11 ARG 47 1HH1 ARG 47 -12.617 7.840 2.075 403 HH12 ARG 47 2HH1 ARG 47 -14.246 8.333 1.972 404 HH21 ARG 47 1HH2 ARG 47 -14.215 10.421 4.799 405 HH22 ARG 47 2HH2 ARG 47 -15.158 9.783 3.527 406 H GLN 48 H GLN 48 -7.100 5.405 5.506 407 HA GLN 48 HA GLN 48 -4.618 5.363 4.069 408 HB2 GLN 48 2HB GLN 48 -4.145 4.712 6.240 409 HB3 GLN 48 1HB GLN 48 -5.615 3.771 6.383 410 HG2 GLN 48 2HG GLN 48 -4.787 2.058 5.082 411 HG3 GLN 48 1HG GLN 48 -3.493 3.056 4.432 412 HE21 GLN 48 1HE2 GLN 48 -3.444 0.436 5.841 413 HE22 GLN 48 2HE2 GLN 48 -2.416 0.654 7.210 414 H VAL 49 H VAL 49 -4.591 4.495 2.260 415 HA VAL 49 HA VAL 49 -6.545 2.431 1.550 416 HB VAL 49 HB VAL 49 -6.603 3.335 -0.748 417 HG11 VAL 49 1HG1 VAL 49 -7.988 5.322 -0.320 418 HG12 VAL 49 2HG1 VAL 49 -7.396 5.360 1.340 419 HG13 VAL 49 3HG1 VAL 49 -8.369 3.999 0.783 420 HG21 VAL 49 3HG2 VAL 49 -5.037 5.672 0.374 421 HG22 VAL 49 1HG2 VAL 49 -5.734 5.586 -1.241 422 HG23 VAL 49 2HG2 VAL 49 -4.439 4.478 -0.782 423 H CYS 50 H CYS 50 -5.760 0.834 0.304 424 HA CYS 50 HA CYS 50 -2.998 0.300 0.476 425 HB2 CYS 50 2HB CYS 50 -5.201 -1.003 -1.057 426 HB3 CYS 50 1HB CYS 50 -3.609 -1.686 -1.010 427 H ILE 51 H ILE 51 -1.452 0.197 -1.095 428 HA ILE 51 HA ILE 51 -1.972 1.966 -3.410 429 HB ILE 51 HB ILE 51 0.782 1.160 -2.490 430 HG12 ILE 51 2HG1 ILE 51 -0.785 3.551 -1.508 431 HG13 ILE 51 1HG1 ILE 51 -0.320 2.162 -0.529 432 HG21 ILE 51 1HG2 ILE 51 -0.348 3.500 -3.981 433 HG22 ILE 51 2HG2 ILE 51 0.559 2.158 -4.672 434 HG23 ILE 51 3HG2 ILE 51 1.364 3.295 -3.577 435 HD11 ILE 51 3HD1 ILE 51 1.332 3.857 -0.052 436 HD12 ILE 51 1HD1 ILE 51 1.506 4.186 -1.790 437 HD13 ILE 51 2HD1 ILE 51 2.032 2.671 -1.113 438 H ASP 52 H ASP 52 -1.427 1.237 -5.432 439 HA ASP 52 HA ASP 52 -1.224 -1.627 -5.759 440 HB2 ASP 52 2HB ASP 52 -2.515 -0.058 -7.306 441 HB3 ASP 52 1HB ASP 52 -0.965 0.512 -7.876 442 HA PRO 53 HA PRO 53 3.235 -1.513 -5.603 443 HB2 PRO 53 2HB PRO 53 3.807 -3.969 -6.533 444 HB3 PRO 53 1HB PRO 53 3.128 -3.689 -4.939 445 HG2 PRO 53 2HG PRO 53 1.656 -4.450 -7.446 446 HG3 PRO 53 1HG PRO 53 1.522 -5.160 -5.826 447 HD2 PRO 53 2HD PRO 53 -0.279 -3.366 -6.667 448 HD3 PRO 53 1HD PRO 53 0.302 -3.368 -4.998 449 H LYS 54 H LYS 54 1.577 -1.125 -8.441 450 HA LYS 54 HA LYS 54 3.722 -1.600 -10.283 451 HB2 LYS 54 2HB LYS 54 2.446 -0.370 -11.925 452 HB3 LYS 54 1HB LYS 54 1.389 -1.493 -11.094 453 HG2 LYS 54 2HG LYS 54 0.449 0.300 -9.763 454 HG3 LYS 54 1HG LYS 54 1.589 1.450 -10.455 455 HD2 LYS 54 2HD LYS 54 -0.522 -0.062 -11.995 456 HD3 LYS 54 1HD LYS 54 -0.668 1.612 -11.462 457 HE2 LYS 54 2HE LYS 54 1.349 2.164 -12.821 458 HE3 LYS 54 1HE LYS 54 1.372 0.507 -13.404 459 HZ1 LYS 54 3HZ LYS 54 0.278 1.989 -14.975 460 HZ2 LYS 54 1HZ LYS 54 -0.835 2.445 -13.821 461 HZ3 LYS 54 2HZ LYS 54 -0.822 0.867 -14.385 462 H LEU 55 H LEU 55 2.911 0.929 -8.113 463 HA LEU 55 HA LEU 55 4.097 3.059 -9.513 464 HB2 LEU 55 2HB LEU 55 3.695 2.792 -6.553 465 HB3 LEU 55 1HB LEU 55 4.110 4.277 -7.375 466 HG LEU 55 HG LEU 55 1.521 2.737 -7.638 467 HD11 LEU 55 1HD1 LEU 55 2.135 5.456 -6.515 468 HD12 LEU 55 2HD1 LEU 55 1.725 4.011 -5.593 469 HD13 LEU 55 3HD1 LEU 55 0.533 4.736 -6.675 470 HD21 LEU 55 3HD2 LEU 55 2.137 3.668 -9.783 471 HD22 LEU 55 1HD2 LEU 55 2.417 5.249 -9.041 472 HD23 LEU 55 2HD2 LEU 55 0.788 4.563 -9.082 473 H LYS 56 H LYS 56 5.984 3.542 -9.950 474 HA LYS 56 HA LYS 56 8.214 1.968 -9.264 475 HB2 LYS 56 2HB LYS 56 7.980 3.024 -11.455 476 HB3 LYS 56 1HB LYS 56 7.972 4.610 -10.737 477 HG2 LYS 56 2HG LYS 56 10.375 2.799 -10.601 478 HG3 LYS 56 1HG LYS 56 10.072 3.865 -11.967 479 HD2 LYS 56 2HD LYS 56 10.095 5.792 -10.434 480 HD3 LYS 56 1HD LYS 56 10.424 4.705 -9.084 481 HE2 LYS 56 2HE LYS 56 12.465 5.787 -9.882 482 HE3 LYS 56 1HE LYS 56 12.531 4.048 -10.129 483 HZ1 LYS 56 3HZ LYS 56 11.847 6.033 -12.236 484 HZ2 LYS 56 1HZ LYS 56 11.972 4.381 -12.455 485 HZ3 LYS 56 2HZ LYS 56 13.333 5.277 -12.064 486 H TRP 57 H TRP 57 7.043 5.063 -8.044 487 HA TRP 57 HA TRP 57 9.428 5.653 -6.631 488 HB2 TRP 57 2HB TRP 57 8.209 7.408 -5.438 489 HB3 TRP 57 1HB TRP 57 7.725 7.430 -7.119 490 HD1 TRP 57 HD TRP 57 5.120 7.217 -7.587 491 HE1 TRP 57 1HE TRP 57 3.042 7.008 -6.053 492 HE3 TRP 57 3HE TRP 57 7.437 6.288 -3.126 493 HZ2 TRP 57 2HZ TRP 57 2.467 6.496 -3.298 494 HZ3 TRP 57 3HZ TRP 57 6.059 5.955 -1.139 495 HH2 TRP 57 HH TRP 57 3.619 6.048 -1.258 496 H ILE 58 H ILE 58 6.712 3.687 -5.944 497 HA ILE 58 HA ILE 58 6.882 3.383 -3.160 498 HB ILE 58 HB ILE 58 5.816 1.733 -5.415 499 HG12 ILE 58 2HG1 ILE 58 4.585 3.703 -4.544 500 HG13 ILE 58 1HG1 ILE 58 3.632 2.245 -4.419 501 HG21 ILE 58 1HG2 ILE 58 5.748 0.764 -2.568 502 HG22 ILE 58 2HG2 ILE 58 6.696 0.080 -3.891 503 HG23 ILE 58 3HG2 ILE 58 4.938 0.044 -3.973 504 HD11 ILE 58 3HD1 ILE 58 5.140 3.580 -2.222 505 HD12 ILE 58 1HD1 ILE 58 4.283 2.047 -2.094 506 HD13 ILE 58 2HD1 ILE 58 3.399 3.528 -2.479 507 H GLN 59 H GLN 59 8.242 1.416 -5.742 508 HA GLN 59 HA GLN 59 9.469 -0.309 -3.880 509 HB2 GLN 59 2HB GLN 59 10.500 -1.383 -5.869 510 HB3 GLN 59 1HB GLN 59 8.757 -1.193 -5.935 511 HG2 GLN 59 2HG GLN 59 9.082 0.791 -7.373 512 HG3 GLN 59 1HG GLN 59 10.808 0.430 -7.395 513 HE21 GLN 59 1HE2 GLN 59 8.332 -2.038 -7.341 514 HE22 GLN 59 2HE2 GLN 59 8.610 -2.606 -8.926 515 H GLU 60 H GLU 60 10.489 2.540 -5.601 516 HA GLU 60 HA GLU 60 13.271 2.173 -5.053 517 HB2 GLU 60 2HB GLU 60 12.491 3.535 -6.981 518 HB3 GLU 60 1HB GLU 60 11.762 4.677 -5.868 519 HG2 GLU 60 2HG GLU 60 13.997 5.244 -5.011 520 HG3 GLU 60 1HG GLU 60 14.702 4.103 -6.153 521 H TYR 61 H TYR 61 10.767 2.889 -3.126 522 HA TYR 61 HA TYR 61 12.434 4.392 -1.256 523 HB2 TYR 61 2HB TYR 61 10.469 5.637 -1.946 524 HB3 TYR 61 1HB TYR 61 9.428 4.276 -1.584 525 HD1 TYR 61 2HD TYR 61 12.121 5.216 0.732 526 HD2 TYR 61 1HD TYR 61 8.009 5.683 -0.239 527 HE1 TYR 61 2HE TYR 61 11.710 6.179 2.947 528 HE2 TYR 61 1HE TYR 61 7.588 6.638 1.971 529 HH TYR 61 HH TYR 61 10.106 7.644 4.025 530 H LEU 62 H LEU 62 9.707 2.181 -1.216 531 HA LEU 62 HA LEU 62 10.370 1.192 1.340 532 HB2 LEU 62 2HB LEU 62 8.472 0.319 -0.757 533 HB3 LEU 62 1HB LEU 62 8.630 -0.610 0.697 534 HG LEU 62 HG LEU 62 6.705 0.779 0.943 535 HD11 LEU 62 1HD1 LEU 62 8.014 0.659 2.946 536 HD12 LEU 62 2HD1 LEU 62 7.181 2.203 2.816 537 HD13 LEU 62 3HD1 LEU 62 8.907 2.111 2.480 538 HD21 LEU 62 3HD2 LEU 62 8.413 3.106 0.109 539 HD22 LEU 62 1HD2 LEU 62 6.749 3.201 0.669 540 HD23 LEU 62 2HD2 LEU 62 7.121 2.364 -0.842 541 H GLU 63 H GLU 63 11.301 0.137 -1.849 542 HA GLU 63 HA GLU 63 12.096 -2.359 -0.595 543 HB2 GLU 63 2HB GLU 63 11.666 -1.698 -3.489 544 HB3 GLU 63 1HB GLU 63 12.527 -3.142 -2.985 545 HG2 GLU 63 2HG GLU 63 9.711 -2.462 -2.175 546 HG3 GLU 63 1HG GLU 63 10.150 -3.555 -3.498 547 H LYS 64 H LYS 64 13.308 0.473 -2.076 548 HA LYS 64 HA LYS 64 15.914 -0.748 -2.249 549 HB2 LYS 64 2HB LYS 64 15.225 0.541 -4.204 550 HB3 LYS 64 1HB LYS 64 14.998 1.965 -3.216 551 HG2 LYS 64 2HG LYS 64 17.015 2.317 -4.391 552 HG3 LYS 64 1HG LYS 64 17.490 1.910 -2.755 553 HD2 LYS 64 2HD LYS 64 17.535 -0.000 -5.125 554 HD3 LYS 64 1HD LYS 64 18.932 0.861 -4.508 555 HE2 LYS 64 2HE LYS 64 18.604 -0.409 -2.324 556 HE3 LYS 64 1HE LYS 64 17.338 -1.311 -3.159 557 HZ1 LYS 64 3HZ LYS 64 20.190 -1.267 -3.909 558 HZ2 LYS 64 1HZ LYS 64 18.973 -2.071 -4.762 559 HZ3 LYS 64 2HZ LYS 64 19.369 -2.521 -3.186 560 H ALA 65 H ALA 65 14.151 1.542 -0.364 561 HA ALA 65 HA ALA 65 16.657 2.273 0.981 562 HB1 ALA 65 1HB ALA 65 15.219 4.144 0.297 563 HB2 ALA 65 2HB ALA 65 15.451 4.090 2.045 564 HB3 ALA 65 3HB ALA 65 13.938 3.523 1.339 565 H LEU 66 H LEU 66 13.494 0.930 1.668 566 HA LEU 66 HA LEU 66 14.277 0.491 4.427 567 HB2 LEU 66 2HB LEU 66 11.705 -0.099 2.987 568 HB3 LEU 66 1HB LEU 66 11.993 -0.682 4.606 569 HG LEU 66 HG LEU 66 10.611 1.286 4.695 570 HD11 LEU 66 1HD1 LEU 66 11.895 2.714 6.161 571 HD12 LEU 66 2HD1 LEU 66 13.383 1.927 5.638 572 HD13 LEU 66 3HD1 LEU 66 12.157 1.000 6.502 573 HD21 LEU 66 3HD2 LEU 66 11.378 3.489 3.950 574 HD22 LEU 66 1HD2 LEU 66 11.237 2.378 2.590 575 HD23 LEU 66 2HD2 LEU 66 12.821 2.752 3.257 576 H ASN 67 H ASN 67 13.886 -1.437 1.601 577 HA ASN 67 HA ASN 67 14.627 -3.802 3.139 578 HB2 ASN 67 2HB ASN 67 13.536 -3.437 0.371 579 HB3 ASN 67 1HB ASN 67 14.195 -4.983 0.825 580 HD21 ASN 67 1HD2 ASN 67 11.609 -2.688 1.357 581 HD22 ASN 67 2HD2 ASN 67 10.590 -3.798 2.179 582 H LYS 68 H LYS 68 15.688 -2.097 0.232 583 HA LYS 68 HA LYS 68 17.644 -1.640 -0.640 584 HB2 LYS 68 2HB LYS 68 18.405 -1.009 1.615 585 HB3 LYS 68 1HB LYS 68 18.851 -2.678 1.934 586 HG2 LYS 68 2HG LYS 68 20.476 -2.562 0.096 587 HG3 LYS 68 1HG LYS 68 20.065 -0.860 -0.118 588 HD2 LYS 68 2HD LYS 68 20.823 -0.365 2.127 589 HD3 LYS 68 1HD LYS 68 21.153 -2.079 2.413 590 HE2 LYS 68 2HE LYS 68 22.776 -2.030 0.554 591 HE3 LYS 68 1HE LYS 68 22.498 -0.300 0.385 592 HZ1 LYS 68 3HZ LYS 68 23.603 -1.668 2.775 593 HZ2 LYS 68 1HZ LYS 68 23.368 0.002 2.654 594 HZ3 LYS 68 2HZ LYS 68 24.473 -0.773 1.657 Start of MODEL 15 1 H1 LYS 1 1HT LYS 1 -21.312 -6.418 -12.342 2 H2 LYS 1 2HT LYS 1 -20.432 -7.761 -11.851 3 H3 LYS 1 3HT LYS 1 -19.692 -6.564 -12.762 4 HA LYS 1 HA LYS 1 -19.898 -4.989 -10.969 5 HB2 LYS 1 2HB LYS 1 -20.848 -5.663 -8.820 6 HB3 LYS 1 1HB LYS 1 -22.000 -6.097 -10.059 7 HG2 LYS 1 2HG LYS 1 -21.285 -8.410 -9.966 8 HG3 LYS 1 1HG LYS 1 -20.056 -7.992 -8.772 9 HD2 LYS 1 2HD LYS 1 -21.904 -7.166 -7.297 10 HD3 LYS 1 1HD LYS 1 -23.043 -7.813 -8.471 11 HE2 LYS 1 2HE LYS 1 -22.711 -9.398 -6.662 12 HE3 LYS 1 1HE LYS 1 -22.094 -10.048 -8.178 13 HZ1 LYS 1 2HZ LYS 1 -19.830 -9.507 -7.477 14 HZ2 LYS 1 3HZ LYS 1 -20.592 -10.431 -6.299 15 HZ3 LYS 1 1HZ LYS 1 -20.400 -8.786 -6.067 16 HA PRO 2 HA PRO 2 -15.876 -6.528 -9.583 17 HB2 PRO 2 2HB PRO 2 -16.015 -6.223 -6.803 18 HB3 PRO 2 1HB PRO 2 -15.481 -4.979 -7.935 19 HG2 PRO 2 2HG PRO 2 -18.162 -5.375 -6.680 20 HG3 PRO 2 1HG PRO 2 -17.290 -3.865 -6.996 21 HD2 PRO 2 2HD PRO 2 -19.301 -4.586 -8.554 22 HD3 PRO 2 1HD PRO 2 -17.834 -3.885 -9.255 23 H VAL 3 H VAL 3 -15.158 -8.538 -9.229 24 HA VAL 3 HA VAL 3 -17.042 -10.439 -8.083 25 HB VAL 3 HB VAL 3 -15.750 -12.217 -9.218 26 HG11 VAL 3 1HG1 VAL 3 -17.616 -11.239 -10.401 27 HG12 VAL 3 2HG1 VAL 3 -16.328 -11.624 -11.535 28 HG13 VAL 3 3HG1 VAL 3 -16.579 -9.957 -11.030 29 HG21 VAL 3 3HG2 VAL 3 -13.538 -11.156 -9.208 30 HG22 VAL 3 1HG2 VAL 3 -14.100 -9.960 -10.374 31 HG23 VAL 3 2HG2 VAL 3 -13.992 -11.654 -10.841 32 H SER 4 H SER 4 -16.681 -11.484 -6.260 33 HA SER 4 HA SER 4 -14.169 -12.223 -5.280 34 HB2 SER 4 2HB SER 4 -14.184 -10.808 -3.210 35 HB3 SER 4 1HB SER 4 -13.896 -9.877 -4.679 36 HG SER 4 HG SER 4 -16.418 -9.811 -4.495 37 H LEU 5 H LEU 5 -14.384 -13.520 -3.434 38 HA LEU 5 HA LEU 5 -17.146 -14.085 -2.599 39 HB2 LEU 5 2HB LEU 5 -16.341 -15.805 -4.177 40 HB3 LEU 5 1HB LEU 5 -14.949 -16.079 -3.151 41 HG LEU 5 HG LEU 5 -16.423 -16.901 -1.377 42 HD11 LEU 5 1HD1 LEU 5 -18.768 -17.413 -1.883 43 HD12 LEU 5 2HD1 LEU 5 -18.609 -16.599 -3.439 44 HD13 LEU 5 3HD1 LEU 5 -18.453 -15.684 -1.936 45 HD21 LEU 5 3HD2 LEU 5 -16.993 -19.023 -2.463 46 HD22 LEU 5 1HD2 LEU 5 -15.390 -18.458 -2.931 47 HD23 LEU 5 2HD2 LEU 5 -16.746 -18.275 -4.041 48 H SER 6 H SER 6 -13.720 -14.625 -1.899 49 HA SER 6 HA SER 6 -14.102 -13.712 0.780 50 HB2 SER 6 2HB SER 6 -12.978 -15.771 1.707 51 HB3 SER 6 1HB SER 6 -14.600 -16.061 1.081 52 HG SER 6 HG SER 6 -12.148 -16.569 -0.237 53 H TYR 7 H TYR 7 -12.666 -12.085 0.546 54 HA TYR 7 HA TYR 7 -10.272 -12.686 -0.875 55 HB2 TYR 7 2HB TYR 7 -9.630 -10.287 -0.651 56 HB3 TYR 7 1HB TYR 7 -11.177 -10.527 -1.427 57 HD1 TYR 7 1HD TYR 7 -13.242 -9.828 -0.272 58 HD2 TYR 7 2HD TYR 7 -9.412 -9.127 1.422 59 HE1 TYR 7 1HE TYR 7 -14.211 -8.144 1.231 60 HE2 TYR 7 2HE TYR 7 -10.379 -7.456 2.939 61 HH TYR 7 HH TYR 7 -13.695 -7.153 3.410 62 H ARG 8 H ARG 8 -8.423 -13.053 -0.227 63 HA ARG 8 HA ARG 8 -8.039 -13.352 2.653 64 HB2 ARG 8 2HB ARG 8 -6.267 -15.081 2.047 65 HB3 ARG 8 1HB ARG 8 -7.921 -15.541 1.711 66 HG2 ARG 8 2HG ARG 8 -6.103 -14.417 -0.415 67 HG3 ARG 8 1HG ARG 8 -6.145 -16.138 -0.030 68 HD2 ARG 8 2HD ARG 8 -8.462 -16.273 -0.626 69 HD3 ARG 8 1HD ARG 8 -8.606 -14.542 -0.829 70 HE ARG 8 HE ARG 8 -6.624 -15.595 -2.536 71 HH11 ARG 8 1HH1 ARG 8 -10.161 -15.401 -2.166 72 HH12 ARG 8 2HH1 ARG 8 -10.463 -15.542 -3.840 73 HH21 ARG 8 1HH2 ARG 8 -7.087 -15.772 -4.825 74 HH22 ARG 8 2HH2 ARG 8 -8.694 -15.754 -5.379 75 H CYS 9 H CYS 9 -7.354 -11.298 0.374 76 HA CYS 9 HA CYS 9 -4.681 -10.673 1.433 77 HB2 CYS 9 2HB CYS 9 -6.099 -9.566 -1.020 78 HB3 CYS 9 1HB CYS 9 -4.450 -9.216 -0.519 79 HA PRO 10 HA PRO 10 -6.660 -7.689 3.924 80 HB2 PRO 10 2HB PRO 10 -4.638 -5.882 4.212 81 HB3 PRO 10 1HB PRO 10 -4.719 -7.425 5.069 82 HG2 PRO 10 2HG PRO 10 -3.181 -6.695 2.611 83 HG3 PRO 10 1HG PRO 10 -2.670 -7.662 4.007 84 HD2 PRO 10 2HD PRO 10 -3.420 -8.813 1.697 85 HD3 PRO 10 1HD PRO 10 -3.779 -9.542 3.277 86 H CYS 11 H CYS 11 -5.408 -6.667 0.873 87 HA CYS 11 HA CYS 11 -6.640 -4.061 1.226 88 HB2 CYS 11 2HB CYS 11 -4.739 -5.042 -0.871 89 HB3 CYS 11 1HB CYS 11 -5.500 -3.450 -0.927 90 H ARG 12 H ARG 12 -6.675 -6.477 -1.366 91 HA ARG 12 HA ARG 12 -8.152 -7.079 -2.898 92 HB2 ARG 12 2HB ARG 12 -9.897 -7.249 -1.181 93 HB3 ARG 12 1HB ARG 12 -10.183 -5.517 -1.268 94 HG2 ARG 12 2HG ARG 12 -10.939 -5.779 -3.594 95 HG3 ARG 12 1HG ARG 12 -10.711 -7.522 -3.449 96 HD2 ARG 12 2HD ARG 12 -12.354 -7.613 -1.681 97 HD3 ARG 12 1HD ARG 12 -12.530 -5.858 -1.732 98 HE ARG 12 HE ARG 12 -13.030 -7.177 -4.244 99 HH11 ARG 12 1HH1 ARG 12 -14.570 -6.071 -1.235 100 HH12 ARG 12 2HH1 ARG 12 -16.121 -5.959 -1.924 101 HH21 ARG 12 1HH2 ARG 12 -15.104 -6.990 -5.154 102 HH22 ARG 12 2HH2 ARG 12 -16.446 -6.480 -4.220 103 H PHE 13 H PHE 13 -8.453 -3.725 -2.022 104 HA PHE 13 HA PHE 13 -8.395 -3.030 -4.889 105 HB2 PHE 13 2HB PHE 13 -9.543 -1.391 -2.624 106 HB3 PHE 13 1HB PHE 13 -9.467 -0.896 -4.302 107 HD1 PHE 13 2HD PHE 13 -10.747 -2.277 -6.003 108 HD2 PHE 13 1HD PHE 13 -11.386 -2.588 -1.814 109 HE1 PHE 13 2HE PHE 13 -12.954 -3.279 -6.419 110 HE2 PHE 13 1HE PHE 13 -13.589 -3.594 -2.219 111 HZ PHE 13 HZ PHE 13 -14.377 -3.941 -4.528 112 H PHE 14 H PHE 14 -6.891 -1.625 -5.561 113 HA PHE 14 HA PHE 14 -4.988 -0.568 -3.600 114 HB2 PHE 14 2HB PHE 14 -4.503 -1.593 -6.386 115 HB3 PHE 14 1HB PHE 14 -3.315 -0.755 -5.403 116 HD1 PHE 14 2HD PHE 14 -2.659 -1.746 -3.253 117 HD2 PHE 14 1HD PHE 14 -4.815 -3.909 -6.183 118 HE1 PHE 14 2HE PHE 14 -1.921 -3.761 -2.245 119 HE2 PHE 14 1HE PHE 14 -4.086 -6.021 -5.168 120 HZ PHE 14 HZ PHE 14 -2.626 -5.982 -3.181 121 H GLU 15 H GLU 15 -4.317 1.562 -3.975 122 HA GLU 15 HA GLU 15 -5.550 2.893 -6.247 123 HB2 GLU 15 2HB GLU 15 -6.280 3.756 -4.025 124 HB3 GLU 15 1HB GLU 15 -4.621 4.086 -3.628 125 HG2 GLU 15 2HG GLU 15 -4.411 5.779 -5.266 126 HG3 GLU 15 1HG GLU 15 -5.927 5.322 -6.030 127 H SER 16 H SER 16 -4.228 3.422 -7.802 128 HA SER 16 HA SER 16 -1.378 3.403 -7.310 129 HB2 SER 16 2HB SER 16 -1.310 3.480 -9.821 130 HB3 SER 16 1HB SER 16 -2.141 2.077 -9.147 131 HG SER 16 HG SER 16 -3.925 2.716 -10.004 132 H HIS 17 H HIS 17 -3.706 5.597 -7.035 133 HA HIS 17 HA HIS 17 -2.413 7.793 -8.466 134 HB2 HIS 17 2HB HIS 17 -5.050 7.675 -6.980 135 HB3 HIS 17 1HB HIS 17 -4.394 9.138 -7.690 136 HD1 HIS 17 1HD HIS 17 -5.602 9.630 -9.771 137 HD2 HIS 17 2HD HIS 17 -4.989 5.587 -9.221 138 HE1 HIS 17 1HE HIS 17 -6.594 8.538 -11.811 139 HE2 HIS 17 2HE HIS 17 -6.031 6.082 -11.537 140 H VAL 18 H VAL 18 -1.787 6.357 -5.695 141 HA VAL 18 HA VAL 18 -1.786 8.512 -3.865 142 HB VAL 18 HB VAL 18 -0.247 5.910 -3.780 143 HG11 VAL 18 1HG1 VAL 18 0.593 7.574 -2.240 144 HG12 VAL 18 2HG1 VAL 18 -0.211 6.265 -1.376 145 HG13 VAL 18 3HG1 VAL 18 -1.029 7.813 -1.592 146 HG21 VAL 18 3HG2 VAL 18 -2.977 6.558 -2.671 147 HG22 VAL 18 1HG2 VAL 18 -2.078 5.072 -2.379 148 HG23 VAL 18 2HG2 VAL 18 -2.621 5.467 -4.009 149 H ALA 19 H ALA 19 -0.242 9.972 -3.514 150 HA ALA 19 HA ALA 19 2.272 9.810 -5.022 151 HB1 ALA 19 1HB ALA 19 0.918 11.828 -5.428 152 HB2 ALA 19 2HB ALA 19 2.425 12.230 -4.596 153 HB3 ALA 19 3HB ALA 19 0.918 12.153 -3.690 154 H ARG 20 H ARG 20 4.160 9.759 -3.896 155 HA ARG 20 HA ARG 20 4.200 8.827 -1.247 156 HB2 ARG 20 2HB ARG 20 5.966 8.368 -2.857 157 HB3 ARG 20 1HB ARG 20 6.425 10.055 -2.874 158 HG2 ARG 20 2HG ARG 20 7.221 9.902 -0.582 159 HG3 ARG 20 1HG ARG 20 6.591 8.257 -0.470 160 HD2 ARG 20 2HD ARG 20 9.020 8.347 -0.876 161 HD3 ARG 20 1HD ARG 20 8.139 7.496 -2.136 162 HE ARG 20 HE ARG 20 8.711 10.303 -2.578 163 HH11 ARG 20 1HH1 ARG 20 9.527 6.926 -3.321 164 HH12 ARG 20 2HH1 ARG 20 10.509 7.315 -4.645 165 HH21 ARG 20 1HH2 ARG 20 10.052 10.817 -4.426 166 HH22 ARG 20 2HH2 ARG 20 10.807 9.566 -5.294 167 H ALA 21 H ALA 21 4.352 12.004 -2.536 168 HA ALA 21 HA ALA 21 5.307 13.376 -0.271 169 HB1 ALA 21 1HB ALA 21 4.439 15.368 -1.361 170 HB2 ALA 21 2HB ALA 21 3.504 14.368 -2.473 171 HB3 ALA 21 3HB ALA 21 5.261 14.335 -2.528 172 H ASN 22 H ASN 22 2.193 12.067 -1.104 173 HA ASN 22 HA ASN 22 0.803 13.679 0.918 174 HB2 ASN 22 2HB ASN 22 -0.124 12.903 -1.525 175 HB3 ASN 22 1HB ASN 22 -0.474 11.476 -0.620 176 HD21 ASN 22 1HD2 ASN 22 -1.119 12.830 1.835 177 HD22 ASN 22 2HD2 ASN 22 -2.676 13.565 1.580 178 H VAL 23 H VAL 23 2.460 10.808 0.608 179 HA VAL 23 HA VAL 23 0.878 9.214 2.428 180 HB VAL 23 HB VAL 23 3.637 8.682 1.292 181 HG11 VAL 23 1HG1 VAL 23 3.240 6.374 1.922 182 HG12 VAL 23 2HG1 VAL 23 1.705 6.819 2.669 183 HG13 VAL 23 3HG1 VAL 23 3.224 7.423 3.341 184 HG21 VAL 23 3HG2 VAL 23 1.949 8.828 -0.447 185 HG22 VAL 23 1HG2 VAL 23 0.940 7.680 0.420 186 HG23 VAL 23 2HG2 VAL 23 2.488 7.167 -0.247 187 H LYS 24 H LYS 24 0.970 9.474 4.582 188 HA LYS 24 HA LYS 24 2.997 10.950 5.929 189 HB2 LYS 24 2HB LYS 24 0.645 10.665 6.688 190 HB3 LYS 24 1HB LYS 24 0.967 8.983 6.916 191 HG2 LYS 24 2HG LYS 24 2.577 9.383 8.552 192 HG3 LYS 24 1HG LYS 24 2.388 11.132 8.355 193 HD2 LYS 24 2HD LYS 24 0.068 9.417 8.754 194 HD3 LYS 24 1HD LYS 24 1.111 9.864 10.128 195 HE2 LYS 24 2HE LYS 24 -0.273 11.764 8.205 196 HE3 LYS 24 1HE LYS 24 -0.916 11.358 9.792 197 HZ1 LYS 24 3HZ LYS 24 0.290 13.455 9.875 198 HZ2 LYS 24 1HZ LYS 24 1.682 12.730 9.282 199 HZ3 LYS 24 2HZ LYS 24 1.082 12.308 10.787 200 H ARG 25 H ARG 25 2.128 7.591 5.746 201 HA ARG 25 HA ARG 25 4.869 6.692 6.136 202 HB2 ARG 25 2HB ARG 25 3.932 7.113 8.403 203 HB3 ARG 25 1HB ARG 25 2.606 6.039 8.022 204 HG2 ARG 25 2HG ARG 25 4.199 4.173 7.865 205 HG3 ARG 25 1HG ARG 25 5.504 5.281 8.304 206 HD2 ARG 25 2HD ARG 25 4.294 5.838 10.382 207 HD3 ARG 25 1HD ARG 25 3.074 4.641 9.962 208 HE ARG 25 HE ARG 25 5.733 3.604 10.031 209 HH11 ARG 25 1HH1 ARG 25 2.816 4.271 11.958 210 HH12 ARG 25 2HH1 ARG 25 3.244 3.277 13.246 211 HH21 ARG 25 1HH2 ARG 25 6.362 2.232 11.835 212 HH22 ARG 25 2HH2 ARG 25 5.332 2.053 13.169 213 H LEU 26 H LEU 26 5.076 4.575 5.216 214 HA LEU 26 HA LEU 26 2.597 3.237 4.518 215 HB2 LEU 26 2HB LEU 26 3.204 2.758 2.281 216 HB3 LEU 26 1HB LEU 26 3.236 4.485 2.488 217 HG LEU 26 HG LEU 26 5.760 2.819 2.534 218 HD11 LEU 26 1HD1 LEU 26 6.003 3.362 0.185 219 HD12 LEU 26 2HD1 LEU 26 4.417 4.146 0.204 220 HD13 LEU 26 3HD1 LEU 26 4.540 2.403 0.481 221 HD21 LEU 26 3HD2 LEU 26 5.275 5.695 1.793 222 HD22 LEU 26 1HD2 LEU 26 6.819 4.855 1.864 223 HD23 LEU 26 2HD2 LEU 26 5.911 5.163 3.365 224 H LYS 27 H LYS 27 2.871 1.062 3.926 225 HA LYS 27 HA LYS 27 5.409 -0.186 4.566 226 HB2 LYS 27 2HB LYS 27 2.814 -0.804 5.966 227 HB3 LYS 27 1HB LYS 27 4.138 -1.961 5.870 228 HG2 LYS 27 2HG LYS 27 5.553 -0.464 7.038 229 HG3 LYS 27 1HG LYS 27 4.305 0.782 7.000 230 HD2 LYS 27 2HD LYS 27 2.857 -0.621 8.381 231 HD3 LYS 27 1HD LYS 27 4.053 -1.916 8.346 232 HE2 LYS 27 2HE LYS 27 4.463 0.819 9.481 233 HE3 LYS 27 1HE LYS 27 4.097 -0.625 10.439 234 HZ1 LYS 27 3HZ LYS 27 6.187 -1.597 9.537 235 HZ2 LYS 27 1HZ LYS 27 6.482 -0.228 10.468 236 HZ3 LYS 27 2HZ LYS 27 6.532 -0.142 8.786 237 H ILE 28 H ILE 28 5.731 -1.989 3.579 238 HA ILE 28 HA ILE 28 3.715 -2.857 1.619 239 HB ILE 28 HB ILE 28 6.729 -3.321 1.573 240 HG12 ILE 28 2HG1 ILE 28 4.941 -1.632 -0.191 241 HG13 ILE 28 1HG1 ILE 28 6.189 -1.067 0.908 242 HG21 ILE 28 1HG2 ILE 28 4.651 -4.254 -0.404 243 HG22 ILE 28 2HG2 ILE 28 5.644 -5.280 0.647 244 HG23 ILE 28 3HG2 ILE 28 6.396 -4.306 -0.632 245 HD11 ILE 28 3HD1 ILE 28 6.934 -0.951 -1.397 246 HD12 ILE 28 1HD1 ILE 28 6.626 -2.672 -1.606 247 HD13 ILE 28 2HD1 ILE 28 7.898 -2.128 -0.508 248 H LEU 29 H LEU 29 2.639 -4.587 2.149 249 HA LEU 29 HA LEU 29 3.678 -6.338 4.217 250 HB2 LEU 29 2HB LEU 29 0.971 -6.239 2.909 251 HB3 LEU 29 1HB LEU 29 1.425 -7.256 4.258 252 HG LEU 29 HG LEU 29 1.244 -4.244 4.295 253 HD11 LEU 29 1HD1 LEU 29 -0.920 -5.339 4.181 254 HD12 LEU 29 2HD1 LEU 29 -0.664 -4.631 5.778 255 HD13 LEU 29 3HD1 LEU 29 -0.482 -6.372 5.535 256 HD21 LEU 29 3HD2 LEU 29 2.999 -5.053 5.784 257 HD22 LEU 29 1HD2 LEU 29 1.877 -6.210 6.493 258 HD23 LEU 29 2HD2 LEU 29 1.612 -4.476 6.708 259 H ASN 30 H ASN 30 4.918 -7.860 3.450 260 HA ASN 30 HA ASN 30 4.299 -9.197 0.920 261 HB2 ASN 30 2HB ASN 30 6.550 -9.721 2.909 262 HB3 ASN 30 1HB ASN 30 6.389 -10.461 1.327 263 HD21 ASN 30 1HD2 ASN 30 6.924 -9.255 -0.485 264 HD22 ASN 30 2HD2 ASN 30 7.823 -7.783 -0.401 265 H THR 31 H THR 31 2.393 -10.137 1.455 266 HA THR 31 HA THR 31 2.107 -11.712 3.811 267 HB THR 31 HB THR 31 -0.064 -12.296 2.608 268 HG1 THR 31 1HG THR 31 1.258 -11.462 0.614 269 HG21 THR 31 3HG2 THR 31 0.647 -9.384 3.067 270 HG22 THR 31 1HG2 THR 31 0.116 -10.513 4.313 271 HG23 THR 31 2HG2 THR 31 -0.988 -10.043 3.021 272 HA PRO 32 HA PRO 32 3.482 -15.584 2.132 273 HB2 PRO 32 2HB PRO 32 2.045 -17.344 3.593 274 HB3 PRO 32 1HB PRO 32 3.345 -16.371 4.284 275 HG2 PRO 32 2HG PRO 32 0.391 -15.946 4.428 276 HG3 PRO 32 1HG PRO 32 1.608 -15.751 5.698 277 HD2 PRO 32 2HD PRO 32 0.552 -13.679 4.268 278 HD3 PRO 32 1HD PRO 32 2.170 -13.646 4.990 279 H ASN 33 H ASN 33 -0.003 -15.460 2.484 280 HA ASN 33 HA ASN 33 -0.469 -17.377 0.364 281 HB2 ASN 33 2HB ASN 33 -2.887 -16.969 0.894 282 HB3 ASN 33 1HB ASN 33 -1.935 -17.486 2.282 283 HD21 ASN 33 1HD2 ASN 33 -3.640 -14.865 0.813 284 HD22 ASN 33 2HD2 ASN 33 -3.573 -13.827 2.181 285 H CYS 34 H CYS 34 -0.552 -13.891 0.709 286 HA CYS 34 HA CYS 34 -1.338 -13.653 -2.091 287 HB2 CYS 34 2HB CYS 34 -1.356 -11.755 0.247 288 HB3 CYS 34 1HB CYS 34 -1.739 -11.206 -1.362 289 H ALA 35 H ALA 35 -0.079 -10.939 -2.097 290 HA ALA 35 HA ALA 35 2.700 -11.788 -1.967 291 HB1 ALA 35 1HB ALA 35 1.531 -10.419 -4.384 292 HB2 ALA 35 2HB ALA 35 1.973 -12.122 -4.280 293 HB3 ALA 35 3HB ALA 35 3.218 -10.881 -4.155 294 H LEU 36 H LEU 36 1.370 -8.807 -3.358 295 HA LEU 36 HA LEU 36 2.850 -7.379 -1.274 296 HB2 LEU 36 2HB LEU 36 2.574 -6.693 -4.179 297 HB3 LEU 36 1HB LEU 36 3.261 -5.637 -2.970 298 HG LEU 36 HG LEU 36 4.390 -8.303 -3.815 299 HD11 LEU 36 1HD1 LEU 36 5.278 -5.475 -4.335 300 HD12 LEU 36 2HD1 LEU 36 4.593 -6.575 -5.526 301 HD13 LEU 36 3HD1 LEU 36 6.168 -6.927 -4.801 302 HD21 LEU 36 3HD2 LEU 36 4.856 -7.812 -1.489 303 HD22 LEU 36 1HD2 LEU 36 5.407 -6.198 -1.920 304 HD23 LEU 36 2HD2 LEU 36 6.320 -7.615 -2.451 305 H GLN 37 H GLN 37 1.412 -6.517 -0.002 306 HA GLN 37 HA GLN 37 -0.574 -4.834 -1.309 307 HB2 GLN 37 2HB GLN 37 -0.859 -6.211 1.385 308 HB3 GLN 37 1HB GLN 37 -1.957 -4.990 0.779 309 HG2 GLN 37 2HG GLN 37 -3.008 -7.084 0.427 310 HG3 GLN 37 1HG GLN 37 -2.471 -6.511 -1.142 311 HE21 GLN 37 1HE2 GLN 37 -0.333 -7.934 1.226 312 HE22 GLN 37 2HE2 GLN 37 -0.042 -9.399 0.385 313 H ILE 38 H ILE 38 -0.355 -2.764 -0.883 314 HA ILE 38 HA ILE 38 1.625 -2.015 1.171 315 HB ILE 38 HB ILE 38 0.986 -0.561 -1.404 316 HG12 ILE 38 2HG1 ILE 38 3.246 -2.492 -0.839 317 HG13 ILE 38 1HG1 ILE 38 1.847 -2.824 -1.841 318 HG21 ILE 38 1HG2 ILE 38 3.328 -0.386 0.525 319 HG22 ILE 38 2HG2 ILE 38 2.033 0.794 0.380 320 HG23 ILE 38 3HG2 ILE 38 3.154 0.545 -0.963 321 HD11 ILE 38 3HD1 ILE 38 3.894 -0.720 -2.338 322 HD12 ILE 38 1HD1 ILE 38 2.510 -1.080 -3.371 323 HD13 ILE 38 2HD1 ILE 38 3.798 -2.276 -3.157 324 H VAL 39 H VAL 39 1.179 0.005 2.255 325 HA VAL 39 HA VAL 39 -1.598 0.906 1.982 326 HB VAL 39 HB VAL 39 -1.795 1.148 4.466 327 HG11 VAL 39 1HG1 VAL 39 -2.815 -0.738 3.331 328 HG12 VAL 39 2HG1 VAL 39 -2.219 -1.223 4.920 329 HG13 VAL 39 3HG1 VAL 39 -1.315 -1.655 3.466 330 HG21 VAL 39 3HG2 VAL 39 -0.260 -0.120 5.913 331 HG22 VAL 39 1HG2 VAL 39 0.586 1.159 5.039 332 HG23 VAL 39 2HG2 VAL 39 0.733 -0.515 4.506 333 H ALA 40 H ALA 40 -1.945 3.025 1.960 334 HA ALA 40 HA ALA 40 0.300 4.815 2.646 335 HB1 ALA 40 1HB ALA 40 -1.866 5.177 0.585 336 HB2 ALA 40 2HB ALA 40 -0.212 4.767 0.221 337 HB3 ALA 40 3HB ALA 40 -0.594 6.325 0.950 338 H ARG 41 H ARG 41 -0.227 5.894 4.473 339 HA ARG 41 HA ARG 41 -3.019 6.614 4.679 340 HB2 ARG 41 2HB ARG 41 -2.139 5.646 6.763 341 HB3 ARG 41 1HB ARG 41 -0.912 6.921 6.807 342 HG2 ARG 41 2HG ARG 41 -2.441 8.557 7.189 343 HG3 ARG 41 1HG ARG 41 -3.817 7.559 6.732 344 HD2 ARG 41 2HD ARG 41 -3.781 7.857 9.148 345 HD3 ARG 41 1HD ARG 41 -3.401 6.185 8.743 346 HE ARG 41 HE ARG 41 -0.999 6.940 9.025 347 HH11 ARG 41 1HH1 ARG 41 -3.645 8.405 10.891 348 HH12 ARG 41 2HH1 ARG 41 -2.712 8.642 12.276 349 HH21 ARG 41 1HH2 ARG 41 0.287 7.290 10.967 350 HH22 ARG 41 2HH2 ARG 41 -0.437 7.988 12.334 351 H LEU 42 H LEU 42 -3.689 8.336 4.137 352 HA LEU 42 HA LEU 42 -2.168 10.387 2.895 353 HB2 LEU 42 2HB LEU 42 -5.022 10.104 3.733 354 HB3 LEU 42 1HB LEU 42 -4.456 11.626 3.110 355 HG LEU 42 HG LEU 42 -5.690 9.890 1.535 356 HD11 LEU 42 1HD1 LEU 42 -4.415 10.711 -0.383 357 HD12 LEU 42 2HD1 LEU 42 -3.145 11.280 0.701 358 HD13 LEU 42 3HD1 LEU 42 -4.758 11.995 0.766 359 HD21 LEU 42 3HD2 LEU 42 -2.841 9.019 1.313 360 HD22 LEU 42 1HD2 LEU 42 -4.140 8.488 0.272 361 HD23 LEU 42 2HD2 LEU 42 -4.140 7.993 1.983 362 H LYS 43 H LYS 43 -1.282 12.140 3.671 363 HA LYS 43 HA LYS 43 -0.926 12.579 6.433 364 HB2 LYS 43 2HB LYS 43 -0.386 14.520 4.161 365 HB3 LYS 43 1HB LYS 43 0.180 14.713 5.809 366 HG2 LYS 43 2HG LYS 43 1.472 12.756 5.673 367 HG3 LYS 43 1HG LYS 43 0.902 12.473 4.027 368 HD2 LYS 43 2HD LYS 43 1.916 14.452 3.232 369 HD3 LYS 43 1HD LYS 43 2.267 15.008 4.873 370 HE2 LYS 43 2HE LYS 43 3.631 13.254 5.251 371 HE3 LYS 43 1HE LYS 43 3.371 12.494 3.670 372 HZ1 LYS 43 3HZ LYS 43 4.747 15.100 4.217 373 HZ2 LYS 43 1HZ LYS 43 4.337 14.554 2.668 374 HZ3 LYS 43 2HZ LYS 43 5.452 13.707 3.598 375 H ASN 44 H ASN 44 -3.105 14.206 4.168 376 HA ASN 44 HA ASN 44 -4.039 15.946 6.337 377 HB2 ASN 44 2HB ASN 44 -4.879 15.993 3.419 378 HB3 ASN 44 1HB ASN 44 -5.251 17.180 4.643 379 HD21 ASN 44 1HD2 ASN 44 -3.711 18.670 5.244 380 HD22 ASN 44 2HD2 ASN 44 -2.247 18.882 4.346 381 H ASN 45 H ASN 45 -5.252 13.626 4.017 382 HA ASN 45 HA ASN 45 -7.964 13.684 4.893 383 HB2 ASN 45 2HB ASN 45 -7.294 13.023 2.639 384 HB3 ASN 45 1HB ASN 45 -6.492 11.598 3.281 385 HD21 ASN 45 1HD2 ASN 45 -7.726 10.229 2.048 386 HD22 ASN 45 2HD2 ASN 45 -9.385 9.935 2.339 387 H ASN 46 H ASN 46 -5.169 11.824 5.821 388 HA ASN 46 HA ASN 46 -4.686 10.471 7.469 389 HB2 ASN 46 2HB ASN 46 -5.750 12.046 8.994 390 HB3 ASN 46 1HB ASN 46 -7.328 11.343 8.681 391 HD21 ASN 46 1HD2 ASN 46 -7.939 9.541 9.812 392 HD22 ASN 46 2HD2 ASN 46 -7.005 8.831 11.068 393 H ARG 47 H ARG 47 -7.189 9.805 5.467 394 HA ARG 47 HA ARG 47 -7.711 7.173 6.494 395 HB2 ARG 47 2HB ARG 47 -8.352 8.320 3.786 396 HB3 ARG 47 1HB ARG 47 -8.848 6.738 4.349 397 HG2 ARG 47 2HG ARG 47 -10.133 7.806 6.156 398 HG3 ARG 47 1HG ARG 47 -9.698 9.385 5.493 399 HD2 ARG 47 2HD ARG 47 -10.745 8.782 3.387 400 HD3 ARG 47 1HD ARG 47 -11.203 7.216 4.035 401 HE ARG 47 HE ARG 47 -12.125 9.401 5.616 402 HH11 ARG 47 1HH1 ARG 47 -12.913 7.350 2.836 403 HH12 ARG 47 2HH1 ARG 47 -14.574 7.666 2.881 404 HH21 ARG 47 1HH2 ARG 47 -14.443 9.843 5.676 405 HH22 ARG 47 2HH2 ARG 47 -15.462 9.120 4.516 406 H GLN 48 H GLN 48 -7.084 5.269 5.606 407 HA GLN 48 HA GLN 48 -4.591 5.450 4.187 408 HB2 GLN 48 2HB GLN 48 -4.176 4.621 6.314 409 HB3 GLN 48 1HB GLN 48 -5.590 3.579 6.283 410 HG2 GLN 48 2HG GLN 48 -4.635 2.128 4.830 411 HG3 GLN 48 1HG GLN 48 -3.341 3.225 4.367 412 HE21 GLN 48 1HE2 GLN 48 -4.545 0.907 6.695 413 HE22 GLN 48 2HE2 GLN 48 -3.118 0.786 7.630 414 H VAL 49 H VAL 49 -4.529 4.742 2.280 415 HA VAL 49 HA VAL 49 -6.495 2.761 1.395 416 HB VAL 49 HB VAL 49 -6.320 3.719 -0.869 417 HG11 VAL 49 1HG1 VAL 49 -7.549 5.808 -0.477 418 HG12 VAL 49 2HG1 VAL 49 -7.068 5.760 1.218 419 HG13 VAL 49 3HG1 VAL 49 -8.114 4.502 0.565 420 HG21 VAL 49 3HG2 VAL 49 -4.633 5.881 0.418 421 HG22 VAL 49 1HG2 VAL 49 -5.220 5.888 -1.243 422 HG23 VAL 49 2HG2 VAL 49 -4.062 4.666 -0.727 423 H CYS 50 H CYS 50 -5.726 1.125 0.215 424 HA CYS 50 HA CYS 50 -2.982 0.490 0.482 425 HB2 CYS 50 2HB CYS 50 -5.234 -0.837 -0.950 426 HB3 CYS 50 1HB CYS 50 -3.633 -1.502 -1.022 427 H ILE 51 H ILE 51 -1.423 0.300 -1.018 428 HA ILE 51 HA ILE 51 -1.839 2.047 -3.355 429 HB ILE 51 HB ILE 51 0.887 1.213 -2.404 430 HG12 ILE 51 2HG1 ILE 51 -0.661 3.590 -1.364 431 HG13 ILE 51 1HG1 ILE 51 -0.319 2.145 -0.419 432 HG21 ILE 51 1HG2 ILE 51 -0.295 3.600 -3.780 433 HG22 ILE 51 2HG2 ILE 51 0.632 2.316 -4.534 434 HG23 ILE 51 3HG2 ILE 51 1.425 3.437 -3.405 435 HD11 ILE 51 3HD1 ILE 51 1.343 3.774 0.221 436 HD12 ILE 51 1HD1 ILE 51 1.667 4.143 -1.485 437 HD13 ILE 51 2HD1 ILE 51 2.107 2.590 -0.815 438 H ASP 52 H ASP 52 -1.305 1.301 -5.328 439 HA ASP 52 HA ASP 52 -1.148 -1.534 -5.718 440 HB2 ASP 52 2HB ASP 52 -2.391 -0.115 -7.307 441 HB3 ASP 52 1HB ASP 52 -0.922 0.764 -7.688 442 HA PRO 53 HA PRO 53 3.293 -1.640 -5.330 443 HB2 PRO 53 2HB PRO 53 3.765 -4.158 -6.070 444 HB3 PRO 53 1HB PRO 53 2.963 -3.758 -4.552 445 HG2 PRO 53 2HG PRO 53 1.700 -4.593 -7.147 446 HG3 PRO 53 1HG PRO 53 1.356 -5.181 -5.509 447 HD2 PRO 53 2HD PRO 53 -0.185 -3.316 -6.716 448 HD3 PRO 53 1HD PRO 53 0.105 -3.308 -4.963 449 H LYS 54 H LYS 54 1.785 -1.511 -8.311 450 HA LYS 54 HA LYS 54 4.241 -1.976 -9.817 451 HB2 LYS 54 2HB LYS 54 1.516 -1.092 -10.761 452 HB3 LYS 54 1HB LYS 54 2.886 -1.406 -11.800 453 HG2 LYS 54 2HG LYS 54 1.494 -3.489 -10.097 454 HG3 LYS 54 1HG LYS 54 1.157 -3.199 -11.796 455 HD2 LYS 54 2HD LYS 54 2.580 -5.069 -11.806 456 HD3 LYS 54 1HD LYS 54 3.657 -3.735 -12.177 457 HE2 LYS 54 2HE LYS 54 4.419 -3.751 -9.770 458 HE3 LYS 54 1HE LYS 54 3.328 -5.099 -9.493 459 HZ1 LYS 54 3HZ LYS 54 5.555 -5.854 -9.831 460 HZ2 LYS 54 1HZ LYS 54 5.665 -5.077 -11.314 461 HZ3 LYS 54 2HZ LYS 54 4.602 -6.369 -11.121 462 H LEU 55 H LEU 55 3.042 0.496 -8.017 463 HA LEU 55 HA LEU 55 3.888 2.637 -9.689 464 HB2 LEU 55 2HB LEU 55 3.577 2.550 -6.695 465 HB3 LEU 55 1HB LEU 55 3.937 4.006 -7.600 466 HG LEU 55 HG LEU 55 1.402 2.373 -7.735 467 HD11 LEU 55 1HD1 LEU 55 1.968 5.148 -6.736 468 HD12 LEU 55 2HD1 LEU 55 1.630 3.742 -5.734 469 HD13 LEU 55 3HD1 LEU 55 0.381 4.385 -6.803 470 HD21 LEU 55 3HD2 LEU 55 1.926 3.246 -9.919 471 HD22 LEU 55 1HD2 LEU 55 2.206 4.854 -9.239 472 HD23 LEU 55 2HD2 LEU 55 0.586 4.150 -9.220 473 H LYS 56 H LYS 56 5.756 3.530 -10.020 474 HA LYS 56 HA LYS 56 8.101 2.018 -9.494 475 HB2 LYS 56 2HB LYS 56 7.658 3.350 -11.587 476 HB3 LYS 56 1HB LYS 56 7.803 4.811 -10.650 477 HG2 LYS 56 2HG LYS 56 10.060 2.838 -11.065 478 HG3 LYS 56 1HG LYS 56 9.783 4.237 -12.091 479 HD2 LYS 56 2HD LYS 56 10.090 5.675 -10.068 480 HD3 LYS 56 1HD LYS 56 10.491 4.224 -9.150 481 HE2 LYS 56 2HE LYS 56 11.993 5.253 -11.570 482 HE3 LYS 56 1HE LYS 56 12.501 5.437 -9.901 483 HZ1 LYS 56 3HZ LYS 56 12.191 2.806 -11.293 484 HZ2 LYS 56 1HZ LYS 56 12.808 3.059 -9.740 485 HZ3 LYS 56 2HZ LYS 56 13.622 3.642 -11.066 486 H TRP 57 H TRP 57 6.757 5.017 -8.164 487 HA TRP 57 HA TRP 57 9.100 5.645 -6.718 488 HB2 TRP 57 2HB TRP 57 7.837 7.311 -5.501 489 HB3 TRP 57 1HB TRP 57 7.334 7.349 -7.177 490 HD1 TRP 57 HD TRP 57 4.756 7.012 -7.633 491 HE1 TRP 57 1HE TRP 57 2.691 6.734 -6.080 492 HE3 TRP 57 3HE TRP 57 7.140 6.128 -3.227 493 HZ2 TRP 57 2HZ TRP 57 2.173 6.197 -3.327 494 HZ3 TRP 57 3HZ TRP 57 5.819 5.743 -1.217 495 HH2 TRP 57 HH TRP 57 3.371 5.762 -1.293 496 H ILE 58 H ILE 58 6.511 3.495 -6.088 497 HA ILE 58 HA ILE 58 6.740 3.223 -3.271 498 HB ILE 58 HB ILE 58 5.640 1.535 -5.491 499 HG12 ILE 58 2HG1 ILE 58 4.371 3.481 -4.590 500 HG13 ILE 58 1HG1 ILE 58 3.483 1.979 -4.439 501 HG21 ILE 58 1HG2 ILE 58 5.725 0.618 -2.627 502 HG22 ILE 58 2HG2 ILE 58 6.609 -0.076 -3.981 503 HG23 ILE 58 3HG2 ILE 58 4.849 -0.155 -3.955 504 HD11 ILE 58 3HD1 ILE 58 4.999 3.389 -2.285 505 HD12 ILE 58 1HD1 ILE 58 4.216 1.818 -2.122 506 HD13 ILE 58 2HD1 ILE 58 3.260 3.256 -2.479 507 H GLN 59 H GLN 59 7.962 1.308 -5.931 508 HA GLN 59 HA GLN 59 9.262 -0.450 -4.180 509 HB2 GLN 59 2HB GLN 59 10.143 -1.514 -6.239 510 HB3 GLN 59 1HB GLN 59 8.396 -1.283 -6.188 511 HG2 GLN 59 2HG GLN 59 8.649 0.689 -7.629 512 HG3 GLN 59 1HG GLN 59 10.375 0.354 -7.746 513 HE21 GLN 59 1HE2 GLN 59 7.943 -2.113 -7.583 514 HE22 GLN 59 2HE2 GLN 59 8.113 -2.696 -9.167 515 H GLU 60 H GLU 60 10.257 2.306 -6.077 516 HA GLU 60 HA GLU 60 12.975 1.707 -5.679 517 HB2 GLU 60 2HB GLU 60 11.994 2.919 -7.673 518 HB3 GLU 60 1HB GLU 60 11.738 4.301 -6.632 519 HG2 GLU 60 2HG GLU 60 13.661 4.697 -7.949 520 HG3 GLU 60 1HG GLU 60 14.203 4.393 -6.294 521 H TYR 61 H TYR 61 10.778 2.682 -3.628 522 HA TYR 61 HA TYR 61 12.619 4.341 -2.062 523 HB2 TYR 61 2HB TYR 61 10.677 5.598 -2.768 524 HB3 TYR 61 1HB TYR 61 9.614 4.360 -2.140 525 HD1 TYR 61 2HD TYR 61 12.509 6.227 -0.743 526 HD2 TYR 61 1HD TYR 61 8.440 5.128 -0.358 527 HE1 TYR 61 2HE TYR 61 12.387 7.490 1.386 528 HE2 TYR 61 1HE TYR 61 8.277 6.348 1.758 529 HH TYR 61 HH TYR 61 10.715 8.552 2.759 530 H LEU 62 H LEU 62 9.782 2.224 -1.581 531 HA LEU 62 HA LEU 62 10.574 1.687 1.084 532 HB2 LEU 62 2HB LEU 62 8.230 1.592 -0.342 533 HB3 LEU 62 1HB LEU 62 8.661 -0.072 -0.280 534 HG LEU 62 HG LEU 62 7.105 0.582 1.515 535 HD11 LEU 62 1HD1 LEU 62 8.496 -1.417 1.804 536 HD12 LEU 62 2HD1 LEU 62 8.264 -0.598 3.347 537 HD13 LEU 62 3HD1 LEU 62 9.790 -0.430 2.477 538 HD21 LEU 62 3HD2 LEU 62 9.473 2.067 2.548 539 HD22 LEU 62 1HD2 LEU 62 7.958 1.842 3.430 540 HD23 LEU 62 2HD2 LEU 62 8.002 2.782 1.915 541 H GLU 63 H GLU 63 11.278 0.313 -1.943 542 HA GLU 63 HA GLU 63 11.933 -2.275 -0.690 543 HB2 GLU 63 2HB GLU 63 10.606 -1.673 -3.099 544 HB3 GLU 63 1HB GLU 63 12.219 -1.960 -3.562 545 HG2 GLU 63 2HG GLU 63 10.671 -4.013 -2.009 546 HG3 GLU 63 1HG GLU 63 10.862 -3.998 -3.756 547 H LYS 64 H LYS 64 13.179 0.537 -2.270 548 HA LYS 64 HA LYS 64 15.752 -0.750 -2.613 549 HB2 LYS 64 2HB LYS 64 14.828 0.454 -4.546 550 HB3 LYS 64 1HB LYS 64 14.792 1.935 -3.611 551 HG2 LYS 64 2HG LYS 64 16.696 1.980 -5.062 552 HG3 LYS 64 1HG LYS 64 17.246 1.828 -3.393 553 HD2 LYS 64 2HD LYS 64 18.557 0.351 -4.766 554 HD3 LYS 64 1HD LYS 64 17.497 -0.634 -3.768 555 HE2 LYS 64 2HE LYS 64 17.551 -1.494 -6.046 556 HE3 LYS 64 1HE LYS 64 15.949 -0.863 -5.690 557 HZ1 LYS 64 3HZ LYS 64 18.064 0.607 -7.144 558 HZ2 LYS 64 1HZ LYS 64 16.488 1.149 -6.908 559 HZ3 LYS 64 2HZ LYS 64 16.778 -0.186 -7.899 560 H ALA 65 H ALA 65 14.189 1.821 -0.827 561 HA ALA 65 HA ALA 65 16.809 2.540 0.278 562 HB1 ALA 65 1HB ALA 65 15.462 4.400 -0.584 563 HB2 ALA 65 2HB ALA 65 15.733 4.564 1.157 564 HB3 ALA 65 3HB ALA 65 14.180 3.978 0.557 565 H LEU 66 H LEU 66 13.599 1.563 1.267 566 HA LEU 66 HA LEU 66 14.336 1.451 4.054 567 HB2 LEU 66 2HB LEU 66 11.879 0.813 2.544 568 HB3 LEU 66 1HB LEU 66 11.989 0.283 4.178 569 HG LEU 66 HG LEU 66 10.757 2.352 4.171 570 HD11 LEU 66 1HD1 LEU 66 12.096 3.840 5.542 571 HD12 LEU 66 2HD1 LEU 66 13.555 2.994 5.066 572 HD13 LEU 66 3HD1 LEU 66 12.321 2.157 6.009 573 HD21 LEU 66 3HD2 LEU 66 11.636 4.454 3.220 574 HD22 LEU 66 1HD2 LEU 66 11.427 3.224 1.977 575 HD23 LEU 66 2HD2 LEU 66 13.031 3.576 2.603 576 H ASN 67 H ASN 67 14.861 -0.549 1.570 577 HA ASN 67 HA ASN 67 14.873 -2.846 3.393 578 HB2 ASN 67 2HB ASN 67 13.005 -2.844 1.710 579 HB3 ASN 67 1HB ASN 67 14.215 -2.907 0.466 580 HD21 ASN 67 1HD2 ASN 67 12.076 -4.618 1.470 581 HD22 ASN 67 2HD2 ASN 67 12.724 -6.227 1.558 582 H LYS 68 H LYS 68 16.325 -1.318 0.544 583 HA LYS 68 HA LYS 68 18.642 -3.037 0.891 584 HB2 LYS 68 2HB LYS 68 17.610 -1.454 -1.436 585 HB3 LYS 68 1HB LYS 68 19.214 -2.162 -1.431 586 HG2 LYS 68 2HG LYS 68 18.252 -4.388 -1.215 587 HG3 LYS 68 1HG LYS 68 16.637 -3.693 -1.084 588 HD2 LYS 68 2HD LYS 68 16.747 -2.886 -3.343 589 HD3 LYS 68 1HD LYS 68 18.438 -3.379 -3.478 590 HE2 LYS 68 2HE LYS 68 16.898 -4.950 -4.581 591 HE3 LYS 68 1HE LYS 68 17.819 -5.702 -3.283 592 HZ1 LYS 68 3HZ LYS 68 15.530 -6.384 -3.242 593 HZ2 LYS 68 1HZ LYS 68 14.962 -4.807 -3.098 594 HZ3 LYS 68 2HZ LYS 68 15.867 -5.518 -1.858 Start of MODEL 16 1 H1 LYS 1 1HT LYS 1 -16.819 -13.307 -15.561 2 H2 LYS 1 2HT LYS 1 -18.039 -14.464 -15.567 3 H3 LYS 1 3HT LYS 1 -17.012 -14.349 -16.889 4 HA LYS 1 HA LYS 1 -16.460 -16.232 -15.515 5 HB2 LYS 1 2HB LYS 1 -14.461 -13.978 -15.216 6 HB3 LYS 1 1HB LYS 1 -14.109 -15.679 -14.987 7 HG2 LYS 1 2HG LYS 1 -14.617 -16.095 -17.351 8 HG3 LYS 1 1HG LYS 1 -14.932 -14.372 -17.575 9 HD2 LYS 1 2HD LYS 1 -12.644 -13.852 -16.921 10 HD3 LYS 1 1HD LYS 1 -12.323 -15.558 -16.629 11 HE2 LYS 1 2HE LYS 1 -11.419 -14.894 -18.773 12 HE3 LYS 1 1HE LYS 1 -12.755 -16.021 -19.005 13 HZ1 LYS 1 2HZ LYS 1 -12.875 -13.065 -19.335 14 HZ2 LYS 1 3HZ LYS 1 -14.185 -14.092 -19.527 15 HZ3 LYS 1 1HZ LYS 1 -12.867 -14.194 -20.563 16 HA PRO 2 HA PRO 2 -17.266 -15.729 -11.178 17 HB2 PRO 2 2HB PRO 2 -16.087 -17.978 -10.224 18 HB3 PRO 2 1HB PRO 2 -17.613 -18.012 -11.113 19 HG2 PRO 2 2HG PRO 2 -14.854 -18.639 -12.072 20 HG3 PRO 2 1HG PRO 2 -16.384 -19.451 -12.448 21 HD2 PRO 2 2HD PRO 2 -15.161 -17.660 -14.116 22 HD3 PRO 2 1HD PRO 2 -16.909 -17.947 -14.095 23 H VAL 3 H VAL 3 -16.219 -14.315 -9.909 24 HA VAL 3 HA VAL 3 -13.295 -14.473 -9.777 25 HB VAL 3 HB VAL 3 -13.268 -12.192 -8.943 26 HG11 VAL 3 1HG1 VAL 3 -14.126 -11.008 -10.898 27 HG12 VAL 3 2HG1 VAL 3 -15.005 -12.461 -11.379 28 HG13 VAL 3 3HG1 VAL 3 -13.241 -12.471 -11.331 29 HG21 VAL 3 3HG2 VAL 3 -15.324 -10.841 -8.796 30 HG22 VAL 3 1HG2 VAL 3 -15.325 -12.177 -7.644 31 HG23 VAL 3 2HG2 VAL 3 -16.289 -12.278 -9.118 32 H SER 4 H SER 4 -16.018 -15.173 -8.088 33 HA SER 4 HA SER 4 -16.524 -15.925 -6.045 34 HB2 SER 4 2HB SER 4 -13.524 -16.225 -5.733 35 HB3 SER 4 1HB SER 4 -14.727 -16.910 -4.637 36 HG SER 4 HG SER 4 -15.450 -18.217 -6.216 37 H LEU 5 H LEU 5 -17.464 -14.497 -4.780 38 HA LEU 5 HA LEU 5 -16.010 -12.176 -3.929 39 HB2 LEU 5 2HB LEU 5 -18.883 -12.930 -3.452 40 HB3 LEU 5 1HB LEU 5 -18.146 -11.449 -2.881 41 HG LEU 5 HG LEU 5 -18.526 -12.251 -5.759 42 HD11 LEU 5 1HD1 LEU 5 -19.853 -10.131 -4.080 43 HD12 LEU 5 2HD1 LEU 5 -20.595 -11.626 -4.653 44 HD13 LEU 5 3HD1 LEU 5 -20.107 -10.383 -5.806 45 HD21 LEU 5 3HD2 LEU 5 -17.365 -9.726 -4.571 46 HD22 LEU 5 1HD2 LEU 5 -17.738 -9.982 -6.275 47 HD23 LEU 5 2HD2 LEU 5 -16.489 -10.943 -5.506 48 H SER 6 H SER 6 -14.551 -13.319 -2.812 49 HA SER 6 HA SER 6 -15.095 -13.267 0.003 50 HB2 SER 6 2HB SER 6 -15.539 -15.661 -0.683 51 HB3 SER 6 1HB SER 6 -13.913 -15.728 -1.345 52 HG SER 6 HG SER 6 -13.699 -16.540 0.650 53 H TYR 7 H TYR 7 -13.108 -12.735 1.046 54 HA TYR 7 HA TYR 7 -11.160 -11.931 -0.940 55 HB2 TYR 7 2HB TYR 7 -10.263 -10.358 0.687 56 HB3 TYR 7 1HB TYR 7 -11.987 -10.105 0.478 57 HD1 TYR 7 1HD TYR 7 -13.542 -11.019 2.274 58 HD2 TYR 7 2HD TYR 7 -9.335 -10.732 2.792 59 HE1 TYR 7 1HE TYR 7 -13.834 -11.140 4.709 60 HE2 TYR 7 2HE TYR 7 -9.624 -10.858 5.228 61 HH TYR 7 HH TYR 7 -12.516 -11.801 6.644 62 H ARG 8 H ARG 8 -9.301 -12.630 -1.073 63 HA ARG 8 HA ARG 8 -8.362 -14.520 0.926 64 HB2 ARG 8 2HB ARG 8 -6.933 -15.513 -0.939 65 HB3 ARG 8 1HB ARG 8 -8.644 -15.846 -1.025 66 HG2 ARG 8 2HG ARG 8 -7.324 -13.665 -2.647 67 HG3 ARG 8 1HG ARG 8 -7.443 -15.332 -3.211 68 HD2 ARG 8 2HD ARG 8 -9.894 -15.194 -2.977 69 HD3 ARG 8 1HD ARG 8 -9.758 -13.514 -2.488 70 HE ARG 8 HE ARG 8 -8.488 -13.676 -4.914 71 HH11 ARG 8 1HH1 ARG 8 -11.746 -14.393 -3.732 72 HH12 ARG 8 2HH1 ARG 8 -12.510 -14.085 -5.220 73 HH21 ARG 8 1HH2 ARG 8 -9.552 -13.275 -6.975 74 HH22 ARG 8 2HH2 ARG 8 -11.245 -13.462 -7.086 75 H CYS 9 H CYS 9 -8.108 -11.513 0.114 76 HA CYS 9 HA CYS 9 -5.380 -11.355 1.100 77 HB2 CYS 9 2HB CYS 9 -5.578 -11.048 -1.491 78 HB3 CYS 9 1HB CYS 9 -6.416 -9.555 -1.072 79 HA PRO 10 HA PRO 10 -7.507 -8.476 3.847 80 HB2 PRO 10 2HB PRO 10 -4.835 -7.157 3.869 81 HB3 PRO 10 1HB PRO 10 -5.813 -7.710 5.232 82 HG2 PRO 10 2HG PRO 10 -3.646 -9.050 4.409 83 HG3 PRO 10 1HG PRO 10 -5.082 -9.905 5.028 84 HD2 PRO 10 2HD PRO 10 -4.071 -9.552 2.258 85 HD3 PRO 10 1HD PRO 10 -4.911 -10.928 3.003 86 H CYS 11 H CYS 11 -5.101 -7.144 1.571 87 HA CYS 11 HA CYS 11 -6.804 -4.862 1.118 88 HB2 CYS 11 2HB CYS 11 -4.103 -5.579 -0.057 89 HB3 CYS 11 1HB CYS 11 -4.994 -4.137 -0.516 90 H ARG 12 H ARG 12 -8.573 -5.527 0.141 91 HA ARG 12 HA ARG 12 -8.537 -7.351 -2.086 92 HB2 ARG 12 2HB ARG 12 -10.491 -7.135 -0.526 93 HB3 ARG 12 1HB ARG 12 -10.768 -5.518 -1.158 94 HG2 ARG 12 2HG ARG 12 -11.076 -6.507 -3.412 95 HG3 ARG 12 1HG ARG 12 -10.950 -8.107 -2.684 96 HD2 ARG 12 2HD ARG 12 -13.046 -6.013 -2.103 97 HD3 ARG 12 1HD ARG 12 -13.270 -7.504 -3.011 98 HE ARG 12 HE ARG 12 -12.385 -7.710 -0.250 99 HH11 ARG 12 1HH1 ARG 12 -15.069 -7.955 -2.569 100 HH12 ARG 12 2HH1 ARG 12 -16.093 -8.806 -1.529 101 HH21 ARG 12 1HH2 ARG 12 -13.841 -8.897 1.235 102 HH22 ARG 12 2HH2 ARG 12 -15.372 -9.350 0.665 103 H PHE 13 H PHE 13 -8.427 -3.962 -1.514 104 HA PHE 13 HA PHE 13 -8.429 -3.457 -4.393 105 HB2 PHE 13 2HB PHE 13 -9.458 -1.609 -2.221 106 HB3 PHE 13 1HB PHE 13 -9.335 -1.215 -3.924 107 HD1 PHE 13 2HD PHE 13 -10.789 -2.389 -5.560 108 HD2 PHE 13 1HD PHE 13 -11.291 -2.833 -1.363 109 HE1 PHE 13 2HE PHE 13 -13.052 -3.263 -5.928 110 HE2 PHE 13 1HE PHE 13 -13.557 -3.706 -1.722 111 HZ PHE 13 HZ PHE 13 -14.441 -3.921 -4.012 112 H PHE 14 H PHE 14 -7.201 -1.571 -4.971 113 HA PHE 14 HA PHE 14 -5.058 -0.791 -3.175 114 HB2 PHE 14 2HB PHE 14 -4.731 -1.853 -5.980 115 HB3 PHE 14 1HB PHE 14 -3.477 -1.007 -5.090 116 HD1 PHE 14 2HD PHE 14 -2.758 -1.985 -2.909 117 HD2 PHE 14 1HD PHE 14 -4.973 -4.153 -5.789 118 HE1 PHE 14 2HE PHE 14 -1.969 -4.015 -1.924 119 HE2 PHE 14 1HE PHE 14 -4.204 -6.270 -4.803 120 HZ PHE 14 HZ PHE 14 -2.684 -6.232 -2.854 121 H GLU 15 H GLU 15 -4.537 1.360 -3.510 122 HA GLU 15 HA GLU 15 -5.853 2.681 -5.764 123 HB2 GLU 15 2HB GLU 15 -6.462 3.452 -3.433 124 HB3 GLU 15 1HB GLU 15 -4.819 3.974 -3.208 125 HG2 GLU 15 2HG GLU 15 -5.012 5.570 -5.036 126 HG3 GLU 15 1HG GLU 15 -6.640 5.000 -5.378 127 H SER 16 H SER 16 -4.567 3.345 -7.363 128 HA SER 16 HA SER 16 -1.697 3.159 -6.931 129 HB2 SER 16 2HB SER 16 -1.638 3.188 -9.440 130 HB3 SER 16 1HB SER 16 -2.533 1.834 -8.745 131 HG SER 16 HG SER 16 -3.963 2.530 -10.138 132 H HIS 17 H HIS 17 -3.966 5.496 -6.778 133 HA HIS 17 HA HIS 17 -2.537 7.564 -8.262 134 HB2 HIS 17 2HB HIS 17 -5.111 7.658 -6.676 135 HB3 HIS 17 1HB HIS 17 -4.379 9.066 -7.423 136 HD1 HIS 17 1HD HIS 17 -6.341 9.459 -9.008 137 HD2 HIS 17 2HD HIS 17 -4.609 5.719 -9.374 138 HE1 HIS 17 1HE HIS 17 -7.338 8.475 -11.087 139 HE2 HIS 17 2HE HIS 17 -6.468 6.114 -11.139 140 H VAL 18 H VAL 18 -1.855 6.198 -5.466 141 HA VAL 18 HA VAL 18 -1.698 8.441 -3.741 142 HB VAL 18 HB VAL 18 -0.429 5.708 -3.504 143 HG11 VAL 18 1HG1 VAL 18 0.573 7.358 -2.047 144 HG12 VAL 18 2HG1 VAL 18 -0.374 6.184 -1.126 145 HG13 VAL 18 3HG1 VAL 18 -1.020 7.796 -1.429 146 HG21 VAL 18 3HG2 VAL 18 -3.072 6.698 -2.447 147 HG22 VAL 18 1HG2 VAL 18 -2.346 5.128 -2.094 148 HG23 VAL 18 2HG2 VAL 18 -2.846 5.519 -3.738 149 H ALA 19 H ALA 19 -0.035 9.786 -3.461 150 HA ALA 19 HA ALA 19 2.494 9.304 -4.894 151 HB1 ALA 19 1HB ALA 19 1.270 11.293 -5.665 152 HB2 ALA 19 2HB ALA 19 2.766 11.757 -4.853 153 HB3 ALA 19 3HB ALA 19 1.226 11.895 -4.008 154 H ARG 20 H ARG 20 4.441 9.761 -3.735 155 HA ARG 20 HA ARG 20 4.363 8.868 -1.060 156 HB2 ARG 20 2HB ARG 20 6.247 8.471 -2.581 157 HB3 ARG 20 1HB ARG 20 6.652 10.174 -2.525 158 HG2 ARG 20 2HG ARG 20 7.086 9.963 -0.092 159 HG3 ARG 20 1HG ARG 20 6.723 8.247 -0.211 160 HD2 ARG 20 2HD ARG 20 9.131 8.641 -0.286 161 HD3 ARG 20 1HD ARG 20 8.555 7.984 -1.819 162 HE ARG 20 HE ARG 20 8.784 10.870 -1.557 163 HH11 ARG 20 1HH1 ARG 20 10.115 7.883 -2.930 164 HH12 ARG 20 2HH1 ARG 20 11.082 8.686 -4.075 165 HH21 ARG 20 1HH2 ARG 20 10.110 11.945 -3.128 166 HH22 ARG 20 2HH2 ARG 20 11.075 11.044 -4.193 167 H ALA 21 H ALA 21 4.609 12.057 -2.473 168 HA ALA 21 HA ALA 21 5.304 13.444 -0.104 169 HB1 ALA 21 1HB ALA 21 4.642 15.460 -1.325 170 HB2 ALA 21 2HB ALA 21 3.872 14.466 -2.562 171 HB3 ALA 21 3HB ALA 21 5.619 14.402 -2.339 172 H ASN 22 H ASN 22 2.384 12.131 -1.288 173 HA ASN 22 HA ASN 22 0.645 13.711 0.444 174 HB2 ASN 22 2HB ASN 22 -0.010 13.125 -1.896 175 HB3 ASN 22 1HB ASN 22 0.055 11.431 -1.454 176 HD21 ASN 22 1HD2 ASN 22 -1.274 14.056 0.500 177 HD22 ASN 22 2HD2 ASN 22 -2.906 13.482 0.435 178 H VAL 23 H VAL 23 2.418 10.828 0.438 179 HA VAL 23 HA VAL 23 0.778 9.319 2.279 180 HB VAL 23 HB VAL 23 3.603 8.810 1.265 181 HG11 VAL 23 1HG1 VAL 23 3.349 6.581 2.147 182 HG12 VAL 23 2HG1 VAL 23 1.772 6.991 2.826 183 HG13 VAL 23 3HG1 VAL 23 3.228 7.770 3.446 184 HG21 VAL 23 3HG2 VAL 23 1.925 8.670 -0.457 185 HG22 VAL 23 1HG2 VAL 23 0.959 7.593 0.551 186 HG23 VAL 23 2HG2 VAL 23 2.529 7.064 -0.030 187 H LYS 24 H LYS 24 0.795 9.551 4.413 188 HA LYS 24 HA LYS 24 2.858 11.146 5.683 189 HB2 LYS 24 2HB LYS 24 0.381 11.270 6.331 190 HB3 LYS 24 1HB LYS 24 0.580 9.626 6.939 191 HG2 LYS 24 2HG LYS 24 2.050 10.462 8.528 192 HG3 LYS 24 1HG LYS 24 2.006 12.066 7.772 193 HD2 LYS 24 2HD LYS 24 -0.479 12.024 8.065 194 HD3 LYS 24 1HD LYS 24 -0.251 10.587 9.075 195 HE2 LYS 24 2HE LYS 24 1.362 11.759 10.256 196 HE3 LYS 24 1HE LYS 24 0.970 13.239 9.396 197 HZ1 LYS 24 3HZ LYS 24 -1.336 13.070 10.174 198 HZ2 LYS 24 1HZ LYS 24 -0.276 13.246 11.482 199 HZ3 LYS 24 2HZ LYS 24 -0.943 11.730 11.125 200 H ARG 25 H ARG 25 1.561 7.963 5.677 201 HA ARG 25 HA ARG 25 4.076 6.796 6.662 202 HB2 ARG 25 2HB ARG 25 2.659 7.106 8.625 203 HB3 ARG 25 1HB ARG 25 1.342 6.259 7.832 204 HG2 ARG 25 2HG ARG 25 2.809 4.233 7.751 205 HG3 ARG 25 1HG ARG 25 3.969 5.109 8.751 206 HD2 ARG 25 2HD ARG 25 2.583 3.706 10.146 207 HD3 ARG 25 1HD ARG 25 2.214 5.403 10.464 208 HE ARG 25 HE ARG 25 0.482 4.455 8.497 209 HH11 ARG 25 1HH1 ARG 25 1.086 4.029 11.966 210 HH12 ARG 25 2HH1 ARG 25 -0.501 3.550 12.324 211 HH21 ARG 25 1HH2 ARG 25 -1.777 3.785 9.015 212 HH22 ARG 25 2HH2 ARG 25 -2.132 3.422 10.622 213 H LEU 26 H LEU 26 4.499 4.800 5.619 214 HA LEU 26 HA LEU 26 2.223 3.412 4.528 215 HB2 LEU 26 2HB LEU 26 3.106 2.936 2.408 216 HB3 LEU 26 1HB LEU 26 3.226 4.662 2.583 217 HG LEU 26 HG LEU 26 5.613 2.866 3.055 218 HD11 LEU 26 1HD1 LEU 26 6.193 3.199 0.720 219 HD12 LEU 26 2HD1 LEU 26 4.658 4.040 0.460 220 HD13 LEU 26 3HD1 LEU 26 4.652 2.333 0.909 221 HD21 LEU 26 3HD2 LEU 26 5.380 5.700 2.055 222 HD22 LEU 26 1HD2 LEU 26 6.857 4.788 2.338 223 HD23 LEU 26 2HD2 LEU 26 5.830 5.247 3.717 224 H LYS 27 H LYS 27 2.741 1.211 3.986 225 HA LYS 27 HA LYS 27 5.166 0.187 5.142 226 HB2 LYS 27 2HB LYS 27 3.533 0.347 7.079 227 HB3 LYS 27 1HB LYS 27 2.471 -0.634 6.107 228 HG2 LYS 27 2HG LYS 27 3.795 -2.525 6.307 229 HG3 LYS 27 1HG LYS 27 5.158 -1.599 6.949 230 HD2 LYS 27 2HD LYS 27 2.500 -1.687 8.243 231 HD3 LYS 27 1HD LYS 27 3.769 -2.867 8.682 232 HE2 LYS 27 2HE LYS 27 3.832 0.173 8.952 233 HE3 LYS 27 1HE LYS 27 3.706 -0.997 10.263 234 HZ1 LYS 27 3HZ LYS 27 5.908 -1.827 9.639 235 HZ2 LYS 27 1HZ LYS 27 5.924 -0.223 10.105 236 HZ3 LYS 27 2HZ LYS 27 6.063 -0.608 8.479 237 H ILE 28 H ILE 28 5.783 -1.581 4.109 238 HA ILE 28 HA ILE 28 3.910 -2.780 2.210 239 HB ILE 28 HB ILE 28 6.946 -2.730 2.183 240 HG12 ILE 28 2HG1 ILE 28 4.859 -1.608 0.311 241 HG13 ILE 28 1HG1 ILE 28 5.986 -0.706 1.295 242 HG21 ILE 28 1HG2 ILE 28 5.158 -4.252 0.302 243 HG22 ILE 28 2HG2 ILE 28 6.261 -4.955 1.496 244 HG23 ILE 28 3HG2 ILE 28 6.904 -4.036 0.131 245 HD11 ILE 28 3HD1 ILE 28 6.681 -0.672 -1.004 246 HD12 ILE 28 1HD1 ILE 28 6.641 -2.429 -1.088 247 HD13 ILE 28 2HD1 ILE 28 7.842 -1.618 -0.078 248 H LEU 29 H LEU 29 2.994 -4.478 2.945 249 HA LEU 29 HA LEU 29 4.439 -6.228 4.813 250 HB2 LEU 29 2HB LEU 29 2.227 -5.055 5.436 251 HB3 LEU 29 1HB LEU 29 1.477 -6.082 4.243 252 HG LEU 29 HG LEU 29 2.827 -7.071 6.771 253 HD11 LEU 29 1HD1 LEU 29 0.550 -7.487 7.557 254 HD12 LEU 29 2HD1 LEU 29 -0.087 -6.716 6.104 255 HD13 LEU 29 3HD1 LEU 29 0.845 -5.774 7.269 256 HD21 LEU 29 3HD2 LEU 29 1.704 -9.185 6.275 257 HD22 LEU 29 1HD2 LEU 29 2.793 -8.743 4.951 258 HD23 LEU 29 2HD2 LEU 29 1.058 -8.470 4.791 259 H ASN 30 H ASN 30 5.332 -7.857 3.706 260 HA ASN 30 HA ASN 30 4.220 -8.672 1.161 261 HB2 ASN 30 2HB ASN 30 6.755 -9.575 2.552 262 HB3 ASN 30 1HB ASN 30 6.240 -10.108 0.961 263 HD21 ASN 30 1HD2 ASN 30 6.492 -8.724 -0.776 264 HD22 ASN 30 2HD2 ASN 30 7.392 -7.256 -0.652 265 H THR 31 H THR 31 2.537 -9.921 1.283 266 HA THR 31 HA THR 31 2.475 -12.155 3.140 267 HB THR 31 HB THR 31 0.121 -12.270 1.932 268 HG1 THR 31 1HG THR 31 0.607 -9.515 1.876 269 HG21 THR 31 3HG2 THR 31 0.847 -10.224 4.021 270 HG22 THR 31 1HG2 THR 31 0.386 -11.901 4.332 271 HG23 THR 31 2HG2 THR 31 -0.794 -10.756 3.661 272 HA PRO 32 HA PRO 32 3.645 -14.779 -0.279 273 HB2 PRO 32 2HB PRO 32 2.850 -17.180 0.771 274 HB3 PRO 32 1HB PRO 32 4.336 -16.360 1.252 275 HG2 PRO 32 2HG PRO 32 1.687 -16.430 2.638 276 HG3 PRO 32 1HG PRO 32 3.316 -16.531 3.330 277 HD2 PRO 32 2HD PRO 32 1.838 -14.261 3.371 278 HD3 PRO 32 1HD PRO 32 3.610 -14.239 3.274 279 H ASN 33 H ASN 33 0.518 -14.951 1.187 280 HA ASN 33 HA ASN 33 -0.818 -16.340 -0.933 281 HB2 ASN 33 2HB ASN 33 -2.864 -15.733 0.359 282 HB3 ASN 33 1HB ASN 33 -1.625 -16.521 1.342 283 HD21 ASN 33 1HD2 ASN 33 -3.359 -13.573 0.759 284 HD22 ASN 33 2HD2 ASN 33 -2.649 -12.741 2.093 285 H CYS 34 H CYS 34 -0.147 -12.981 -0.240 286 HA CYS 34 HA CYS 34 -1.778 -12.235 -2.573 287 HB2 CYS 34 2HB CYS 34 -0.613 -10.502 -0.369 288 HB3 CYS 34 1HB CYS 34 -1.547 -9.875 -1.713 289 H ALA 35 H ALA 35 1.019 -10.571 -1.196 290 HA ALA 35 HA ALA 35 3.138 -11.210 -2.774 291 HB1 ALA 35 1HB ALA 35 1.558 -8.933 -4.031 292 HB2 ALA 35 2HB ALA 35 1.796 -10.515 -4.770 293 HB3 ALA 35 3HB ALA 35 3.176 -9.457 -4.500 294 H LEU 36 H LEU 36 1.814 -8.022 -2.522 295 HA LEU 36 HA LEU 36 2.945 -7.584 -0.013 296 HB2 LEU 36 2HB LEU 36 4.246 -5.546 -0.838 297 HB3 LEU 36 1HB LEU 36 5.002 -7.118 -0.913 298 HG LEU 36 HG LEU 36 3.650 -6.017 -3.338 299 HD11 LEU 36 1HD1 LEU 36 5.161 -4.249 -2.420 300 HD12 LEU 36 2HD1 LEU 36 5.867 -4.950 -3.890 301 HD13 LEU 36 3HD1 LEU 36 6.442 -5.448 -2.286 302 HD21 LEU 36 3HD2 LEU 36 4.481 -8.299 -3.357 303 HD22 LEU 36 1HD2 LEU 36 6.062 -7.749 -2.839 304 HD23 LEU 36 2HD2 LEU 36 5.457 -7.298 -4.441 305 H GLN 37 H GLN 37 1.660 -6.526 1.031 306 HA GLN 37 HA GLN 37 -0.390 -4.939 -0.301 307 HB2 GLN 37 2HB GLN 37 -0.074 -5.846 2.551 308 HB3 GLN 37 1HB GLN 37 -1.487 -5.063 1.859 309 HG2 GLN 37 2HG GLN 37 -1.922 -6.960 0.470 310 HG3 GLN 37 1HG GLN 37 -0.412 -7.720 0.978 311 HE21 GLN 37 1HE2 GLN 37 -1.430 -9.499 1.782 312 HE22 GLN 37 2HE2 GLN 37 -2.325 -9.447 3.250 313 H ILE 38 H ILE 38 -0.264 -2.783 -0.127 314 HA ILE 38 HA ILE 38 1.759 -1.728 1.708 315 HB ILE 38 HB ILE 38 0.885 -0.498 -0.900 316 HG12 ILE 38 2HG1 ILE 38 3.257 -2.325 -0.415 317 HG13 ILE 38 1HG1 ILE 38 1.825 -2.702 -1.348 318 HG21 ILE 38 1HG2 ILE 38 3.333 -0.131 0.861 319 HG22 ILE 38 2HG2 ILE 38 1.973 0.983 0.747 320 HG23 ILE 38 3HG2 ILE 38 3.031 0.729 -0.645 321 HD11 ILE 38 3HD1 ILE 38 3.753 -0.520 -1.983 322 HD12 ILE 38 1HD1 ILE 38 2.362 -0.993 -2.951 323 HD13 ILE 38 2HD1 ILE 38 3.726 -2.110 -2.752 324 H VAL 39 H VAL 39 1.134 0.215 2.709 325 HA VAL 39 HA VAL 39 -1.692 0.933 2.361 326 HB VAL 39 HB VAL 39 -1.934 1.273 4.809 327 HG11 VAL 39 1HG1 VAL 39 -2.729 -0.806 3.826 328 HG12 VAL 39 2HG1 VAL 39 -2.092 -1.095 5.445 329 HG13 VAL 39 3HG1 VAL 39 -1.132 -1.528 4.029 330 HG21 VAL 39 3HG2 VAL 39 -0.275 0.291 6.354 331 HG22 VAL 39 1HG2 VAL 39 0.423 1.597 5.388 332 HG23 VAL 39 2HG2 VAL 39 0.761 -0.079 4.971 333 H ALA 40 H ALA 40 -2.170 3.074 2.462 334 HA ALA 40 HA ALA 40 0.075 4.924 2.989 335 HB1 ALA 40 1HB ALA 40 -2.021 5.203 0.849 336 HB2 ALA 40 2HB ALA 40 -0.400 4.666 0.552 337 HB3 ALA 40 3HB ALA 40 -0.684 6.303 1.148 338 H ARG 41 H ARG 41 -0.523 6.055 4.775 339 HA ARG 41 HA ARG 41 -3.306 6.927 4.780 340 HB2 ARG 41 2HB ARG 41 -2.629 6.118 7.016 341 HB3 ARG 41 1HB ARG 41 -1.288 7.285 7.010 342 HG2 ARG 41 2HG ARG 41 -2.674 9.045 7.271 343 HG3 ARG 41 1HG ARG 41 -4.097 8.190 6.692 344 HD2 ARG 41 2HD ARG 41 -4.279 8.544 9.086 345 HD3 ARG 41 1HD ARG 41 -4.033 6.831 8.782 346 HE ARG 41 HE ARG 41 -1.549 7.985 9.273 347 HH11 ARG 41 1HH1 ARG 41 -4.589 7.374 11.030 348 HH12 ARG 41 2HH1 ARG 41 -3.814 7.285 12.553 349 HH21 ARG 41 1HH2 ARG 41 -0.556 7.871 11.435 350 HH22 ARG 41 2HH2 ARG 41 -1.567 7.578 12.778 351 H LEU 42 H LEU 42 -3.817 8.652 4.062 352 HA LEU 42 HA LEU 42 -1.867 10.339 2.822 353 HB2 LEU 42 2HB LEU 42 -4.761 10.761 3.211 354 HB3 LEU 42 1HB LEU 42 -3.872 11.749 2.113 355 HG LEU 42 HG LEU 42 -4.990 9.063 1.871 356 HD11 LEU 42 1HD1 LEU 42 -5.274 9.628 -0.492 357 HD12 LEU 42 2HD1 LEU 42 -4.530 11.184 -0.152 358 HD13 LEU 42 3HD1 LEU 42 -6.054 10.744 0.620 359 HD21 LEU 42 3HD2 LEU 42 -2.381 9.646 0.454 360 HD22 LEU 42 1HD2 LEU 42 -3.433 8.277 0.096 361 HD23 LEU 42 2HD2 LEU 42 -2.654 8.399 1.674 362 H LYS 43 H LYS 43 -1.140 12.268 3.356 363 HA LYS 43 HA LYS 43 -1.107 13.078 6.066 364 HB2 LYS 43 2HB LYS 43 -0.340 14.657 3.599 365 HB3 LYS 43 1HB LYS 43 0.084 15.074 5.246 366 HG2 LYS 43 2HG LYS 43 1.388 13.134 5.464 367 HG3 LYS 43 1HG LYS 43 0.961 12.646 3.817 368 HD2 LYS 43 2HD LYS 43 1.988 14.560 2.891 369 HD3 LYS 43 1HD LYS 43 2.216 15.293 4.483 370 HE2 LYS 43 2HE LYS 43 3.569 13.588 5.119 371 HE3 LYS 43 1HE LYS 43 3.461 12.715 3.579 372 HZ1 LYS 43 3HZ LYS 43 4.671 15.401 4.055 373 HZ2 LYS 43 1HZ LYS 43 4.411 14.752 2.520 374 HZ3 LYS 43 2HZ LYS 43 5.499 14.002 3.568 375 H ASN 44 H ASN 44 -2.910 14.242 3.283 376 HA ASN 44 HA ASN 44 -4.176 16.264 4.965 377 HB2 ASN 44 2HB ASN 44 -3.295 16.953 2.763 378 HB3 ASN 44 1HB ASN 44 -4.423 15.863 1.981 379 HD21 ASN 44 1HD2 ASN 44 -6.596 16.463 1.822 380 HD22 ASN 44 2HD2 ASN 44 -7.133 18.033 2.244 381 H ASN 45 H ASN 45 -5.117 13.596 2.798 382 HA ASN 45 HA ASN 45 -7.825 13.783 3.410 383 HB2 ASN 45 2HB ASN 45 -7.093 12.644 1.392 384 HB3 ASN 45 1HB ASN 45 -6.298 11.419 2.370 385 HD21 ASN 45 1HD2 ASN 45 -7.470 9.770 1.318 386 HD22 ASN 45 2HD2 ASN 45 -9.135 9.502 1.642 387 H ASN 46 H ASN 46 -5.173 12.206 5.034 388 HA ASN 46 HA ASN 46 -4.942 11.200 7.047 389 HB2 ASN 46 2HB ASN 46 -6.187 13.150 7.920 390 HB3 ASN 46 1HB ASN 46 -7.709 12.384 7.518 391 HD21 ASN 46 1HD2 ASN 46 -8.560 10.895 8.911 392 HD22 ASN 46 2HD2 ASN 46 -7.911 10.558 10.469 393 H ARG 47 H ARG 47 -6.574 10.015 4.735 394 HA ARG 47 HA ARG 47 -7.592 7.756 6.300 395 HB2 ARG 47 2HB ARG 47 -8.308 8.519 3.480 396 HB3 ARG 47 1HB ARG 47 -8.902 7.099 4.330 397 HG2 ARG 47 2HG ARG 47 -9.959 8.564 5.992 398 HG3 ARG 47 1HG ARG 47 -9.400 9.964 5.073 399 HD2 ARG 47 2HD ARG 47 -10.652 9.147 3.134 400 HD3 ARG 47 1HD ARG 47 -11.257 7.806 4.103 401 HE ARG 47 HE ARG 47 -11.743 10.342 5.289 402 HH11 ARG 47 1HH1 ARG 47 -13.037 7.999 2.909 403 HH12 ARG 47 2HH1 ARG 47 -14.608 8.625 2.989 404 HH21 ARG 47 1HH2 ARG 47 -13.945 11.152 5.365 405 HH22 ARG 47 2HH2 ARG 47 -15.144 10.419 4.391 406 H GLN 48 H GLN 48 -7.153 5.655 5.610 407 HA GLN 48 HA GLN 48 -4.672 5.541 4.183 408 HB2 GLN 48 2HB GLN 48 -4.234 5.016 6.395 409 HB3 GLN 48 1HB GLN 48 -5.706 4.076 6.557 410 HG2 GLN 48 2HG GLN 48 -4.850 2.308 5.398 411 HG3 GLN 48 1HG GLN 48 -3.544 3.249 4.694 412 HE21 GLN 48 1HE2 GLN 48 -3.489 0.751 6.245 413 HE22 GLN 48 2HE2 GLN 48 -2.511 1.018 7.632 414 H VAL 49 H VAL 49 -4.567 4.485 2.448 415 HA VAL 49 HA VAL 49 -6.583 2.450 1.816 416 HB VAL 49 HB VAL 49 -6.352 3.090 -0.581 417 HG11 VAL 49 1HG1 VAL 49 -7.689 5.123 -0.501 418 HG12 VAL 49 2HG1 VAL 49 -7.274 5.337 1.200 419 HG13 VAL 49 3HG1 VAL 49 -8.232 3.944 0.695 420 HG21 VAL 49 3HG2 VAL 49 -4.820 5.461 0.496 421 HG22 VAL 49 1HG2 VAL 49 -5.357 5.260 -1.174 422 HG23 VAL 49 2HG2 VAL 49 -4.160 4.158 -0.487 423 H CYS 50 H CYS 50 -5.835 0.701 0.741 424 HA CYS 50 HA CYS 50 -3.101 -0.016 0.964 425 HB2 CYS 50 2HB CYS 50 -5.385 -1.226 -0.564 426 HB3 CYS 50 1HB CYS 50 -3.855 -2.029 -0.488 427 H ILE 51 H ILE 51 -1.482 0.157 -0.484 428 HA ILE 51 HA ILE 51 -2.063 1.759 -2.893 429 HB ILE 51 HB ILE 51 0.745 1.087 -1.993 430 HG12 ILE 51 2HG1 ILE 51 -0.862 3.484 -1.096 431 HG13 ILE 51 1HG1 ILE 51 -0.400 2.144 -0.046 432 HG21 ILE 51 1HG2 ILE 51 -0.498 3.334 -3.542 433 HG22 ILE 51 2HG2 ILE 51 0.452 2.007 -4.198 434 HG23 ILE 51 3HG2 ILE 51 1.229 3.215 -3.163 435 HD11 ILE 51 3HD1 ILE 51 1.236 3.907 0.351 436 HD12 ILE 51 1HD1 ILE 51 1.438 4.115 -1.401 437 HD13 ILE 51 2HD1 ILE 51 1.984 2.659 -0.609 438 H ASP 52 H ASP 52 -1.517 1.053 -4.882 439 HA ASP 52 HA ASP 52 -1.269 -1.748 -5.378 440 HB2 ASP 52 2HB ASP 52 -2.473 -0.247 -6.903 441 HB3 ASP 52 1HB ASP 52 -1.007 0.673 -7.188 442 HA PRO 53 HA PRO 53 3.186 -1.652 -4.886 443 HB2 PRO 53 2HB PRO 53 3.775 -4.197 -5.470 444 HB3 PRO 53 1HB PRO 53 2.960 -3.733 -3.984 445 HG2 PRO 53 2HG PRO 53 1.759 -4.861 -6.481 446 HG3 PRO 53 1HG PRO 53 1.402 -5.236 -4.782 447 HD2 PRO 53 2HD PRO 53 -0.133 -3.560 -6.326 448 HD3 PRO 53 1HD PRO 53 -0.018 -3.440 -4.561 449 H LYS 54 H LYS 54 1.767 -1.601 -7.894 450 HA LYS 54 HA LYS 54 4.230 -2.246 -9.257 451 HB2 LYS 54 2HB LYS 54 1.599 -1.279 -10.347 452 HB3 LYS 54 1HB LYS 54 3.005 -1.644 -11.344 453 HG2 LYS 54 2HG LYS 54 2.943 -3.964 -10.566 454 HG3 LYS 54 1HG LYS 54 1.527 -3.590 -9.582 455 HD2 LYS 54 2HD LYS 54 1.692 -3.373 -12.591 456 HD3 LYS 54 1HD LYS 54 0.914 -4.679 -11.698 457 HE2 LYS 54 2HE LYS 54 -0.632 -3.027 -10.700 458 HE3 LYS 54 1HE LYS 54 0.137 -1.766 -11.658 459 HZ1 LYS 54 3HZ LYS 54 -0.573 -2.926 -13.669 460 HZ2 LYS 54 1HZ LYS 54 -1.871 -2.521 -12.686 461 HZ3 LYS 54 2HZ LYS 54 -1.341 -4.100 -12.728 462 H LEU 55 H LEU 55 2.948 0.421 -7.734 463 HA LEU 55 HA LEU 55 3.902 2.492 -9.395 464 HB2 LEU 55 2HB LEU 55 3.577 2.485 -6.401 465 HB3 LEU 55 1HB LEU 55 3.870 3.913 -7.363 466 HG LEU 55 HG LEU 55 1.402 2.183 -7.438 467 HD11 LEU 55 1HD1 LEU 55 1.853 5.007 -6.498 468 HD12 LEU 55 2HD1 LEU 55 1.558 3.601 -5.473 469 HD13 LEU 55 3HD1 LEU 55 0.297 4.179 -6.565 470 HD21 LEU 55 3HD2 LEU 55 1.906 3.020 -9.656 471 HD22 LEU 55 1HD2 LEU 55 2.113 4.649 -9.011 472 HD23 LEU 55 2HD2 LEU 55 0.521 3.883 -8.977 473 H LYS 56 H LYS 56 5.811 3.187 -9.829 474 HA LYS 56 HA LYS 56 8.035 1.666 -9.027 475 HB2 LYS 56 2HB LYS 56 7.766 2.671 -11.290 476 HB3 LYS 56 1HB LYS 56 7.976 4.261 -10.597 477 HG2 LYS 56 2HG LYS 56 10.119 2.147 -10.411 478 HG3 LYS 56 1HG LYS 56 9.950 3.186 -11.818 479 HD2 LYS 56 2HD LYS 56 10.324 4.217 -9.004 480 HD3 LYS 56 1HD LYS 56 11.663 3.924 -10.114 481 HE2 LYS 56 2HE LYS 56 10.695 5.542 -11.696 482 HE3 LYS 56 1HE LYS 56 9.356 5.816 -10.589 483 HZ1 LYS 56 3HZ LYS 56 12.175 6.280 -9.829 484 HZ2 LYS 56 1HZ LYS 56 10.808 6.753 -9.010 485 HZ3 LYS 56 2HZ LYS 56 11.197 7.515 -10.459 486 H TRP 57 H TRP 57 6.851 4.835 -7.962 487 HA TRP 57 HA TRP 57 9.208 5.487 -6.571 488 HB2 TRP 57 2HB TRP 57 7.973 7.220 -5.386 489 HB3 TRP 57 1HB TRP 57 7.439 7.204 -7.052 490 HD1 TRP 57 HD TRP 57 4.836 6.860 -7.455 491 HE1 TRP 57 1HE TRP 57 2.805 6.625 -5.845 492 HE3 TRP 57 3HE TRP 57 7.316 6.160 -3.048 493 HZ2 TRP 57 2HZ TRP 57 2.345 6.188 -3.083 494 HZ3 TRP 57 3HZ TRP 57 6.018 5.838 -1.001 495 HH2 TRP 57 HH TRP 57 3.584 5.841 -1.046 496 H ILE 58 H ILE 58 6.581 3.408 -5.769 497 HA ILE 58 HA ILE 58 6.870 3.241 -2.958 498 HB ILE 58 HB ILE 58 5.752 1.465 -5.105 499 HG12 ILE 58 2HG1 ILE 58 4.501 3.465 -4.281 500 HG13 ILE 58 1HG1 ILE 58 3.586 1.985 -4.110 501 HG21 ILE 58 1HG2 ILE 58 5.802 0.682 -2.214 502 HG22 ILE 58 2HG2 ILE 58 6.717 -0.076 -3.518 503 HG23 ILE 58 3HG2 ILE 58 4.956 -0.160 -3.522 504 HD11 ILE 58 3HD1 ILE 58 5.076 3.434 -1.963 505 HD12 ILE 58 1HD1 ILE 58 4.279 1.877 -1.769 506 HD13 ILE 58 2HD1 ILE 58 3.331 3.310 -2.178 507 H GLN 59 H GLN 59 8.078 1.194 -5.545 508 HA GLN 59 HA GLN 59 9.535 -0.373 -3.722 509 HB2 GLN 59 2HB GLN 59 10.426 -1.520 -5.729 510 HB3 GLN 59 1HB GLN 59 8.673 -1.452 -5.603 511 HG2 GLN 59 2HG GLN 59 8.699 0.418 -7.222 512 HG3 GLN 59 1HG GLN 59 10.438 0.182 -7.400 513 HE21 GLN 59 1HE2 GLN 59 8.222 -2.444 -6.870 514 HE22 GLN 59 2HE2 GLN 59 8.332 -3.148 -8.410 515 H GLU 60 H GLU 60 10.282 2.348 -5.692 516 HA GLU 60 HA GLU 60 13.099 2.046 -5.448 517 HB2 GLU 60 2HB GLU 60 12.055 3.283 -7.322 518 HB3 GLU 60 1HB GLU 60 11.424 4.454 -6.183 519 HG2 GLU 60 2HG GLU 60 13.796 5.052 -5.641 520 HG3 GLU 60 1HG GLU 60 14.289 4.014 -6.981 521 H TYR 61 H TYR 61 10.753 2.992 -3.373 522 HA TYR 61 HA TYR 61 12.634 4.604 -1.869 523 HB2 TYR 61 2HB TYR 61 10.648 5.833 -2.359 524 HB3 TYR 61 1HB TYR 61 9.627 4.509 -1.815 525 HD1 TYR 61 2HD TYR 61 12.582 6.122 -0.285 526 HD2 TYR 61 1HD TYR 61 8.449 5.260 -0.027 527 HE1 TYR 61 2HE TYR 61 12.538 7.136 1.957 528 HE2 TYR 61 1HE TYR 61 8.365 6.253 2.231 529 HH TYR 61 HH TYR 61 10.919 8.136 3.423 530 H LEU 62 H LEU 62 9.965 2.356 -1.213 531 HA LEU 62 HA LEU 62 10.930 1.825 1.371 532 HB2 LEU 62 2HB LEU 62 8.554 1.579 0.175 533 HB3 LEU 62 1HB LEU 62 9.177 0.022 -0.155 534 HG LEU 62 HG LEU 62 7.704 0.098 1.839 535 HD11 LEU 62 1HD1 LEU 62 9.247 -1.787 1.552 536 HD12 LEU 62 2HD1 LEU 62 9.094 -1.368 3.258 537 HD13 LEU 62 3HD1 LEU 62 10.523 -0.870 2.352 538 HD21 LEU 62 3HD2 LEU 62 10.037 1.500 3.053 539 HD22 LEU 62 1HD2 LEU 62 8.619 0.937 3.943 540 HD23 LEU 62 2HD2 LEU 62 8.464 2.216 2.714 541 H GLU 63 H GLU 63 11.424 0.428 -1.758 542 HA GLU 63 HA GLU 63 12.485 -1.901 -0.415 543 HB2 GLU 63 2HB GLU 63 11.479 -1.662 -3.213 544 HB3 GLU 63 1HB GLU 63 12.418 -3.055 -2.674 545 HG2 GLU 63 2HG GLU 63 10.717 -3.465 -0.952 546 HG3 GLU 63 1HG GLU 63 9.748 -2.143 -1.588 547 H LYS 64 H LYS 64 13.396 0.726 -2.338 548 HA LYS 64 HA LYS 64 15.875 -0.631 -2.896 549 HB2 LYS 64 2HB LYS 64 14.684 0.524 -4.769 550 HB3 LYS 64 1HB LYS 64 14.890 2.047 -3.942 551 HG2 LYS 64 2HG LYS 64 17.204 0.375 -4.917 552 HG3 LYS 64 1HG LYS 64 16.412 1.593 -5.906 553 HD2 LYS 64 2HD LYS 64 17.046 3.313 -4.285 554 HD3 LYS 64 1HD LYS 64 17.782 2.070 -3.267 555 HE2 LYS 64 2HE LYS 64 19.361 1.536 -5.039 556 HE3 LYS 64 1HE LYS 64 18.615 2.740 -6.087 557 HZ1 LYS 64 3HZ LYS 64 19.989 3.363 -3.507 558 HZ2 LYS 64 1HZ LYS 64 19.314 4.455 -4.599 559 HZ3 LYS 64 2HZ LYS 64 20.635 3.552 -5.050 560 H ALA 65 H ALA 65 14.521 1.858 -0.928 561 HA ALA 65 HA ALA 65 17.233 2.633 -0.103 562 HB1 ALA 65 1HB ALA 65 15.651 4.468 -0.557 563 HB2 ALA 65 2HB ALA 65 16.223 4.493 1.111 564 HB3 ALA 65 3HB ALA 65 14.611 3.872 0.736 565 H LEU 66 H LEU 66 14.311 1.254 1.243 566 HA LEU 66 HA LEU 66 15.684 0.927 3.786 567 HB2 LEU 66 2HB LEU 66 12.832 0.398 3.014 568 HB3 LEU 66 1HB LEU 66 13.465 -0.097 4.553 569 HG LEU 66 HG LEU 66 12.222 1.917 4.868 570 HD11 LEU 66 1HD1 LEU 66 13.851 3.453 5.798 571 HD12 LEU 66 2HD1 LEU 66 15.141 2.595 4.965 572 HD13 LEU 66 3HD1 LEU 66 14.199 1.775 6.211 573 HD21 LEU 66 3HD2 LEU 66 12.733 4.037 3.723 574 HD22 LEU 66 1HD2 LEU 66 12.214 2.791 2.587 575 HD23 LEU 66 2HD2 LEU 66 13.921 3.197 2.725 576 H ASN 67 H ASN 67 14.367 -1.071 1.262 577 HA ASN 67 HA ASN 67 14.963 -3.488 2.717 578 HB2 ASN 67 2HB ASN 67 13.004 -3.161 1.136 579 HB3 ASN 67 1HB ASN 67 14.171 -3.141 -0.158 580 HD21 ASN 67 1HD2 ASN 67 12.605 -5.042 2.181 581 HD22 ASN 67 2HD2 ASN 67 13.024 -6.597 1.560 582 H LYS 68 H LYS 68 15.978 -2.111 -0.372 583 HA LYS 68 HA LYS 68 17.674 -2.375 -1.727 584 HB2 LYS 68 2HB LYS 68 18.867 -1.018 -0.097 585 HB3 LYS 68 1HB LYS 68 19.260 -2.426 0.860 586 HG2 LYS 68 2HG LYS 68 20.687 -3.260 -0.917 587 HG3 LYS 68 1HG LYS 68 20.215 -1.911 -1.945 588 HD2 LYS 68 2HD LYS 68 21.518 -1.575 0.727 589 HD3 LYS 68 1HD LYS 68 22.460 -1.654 -0.779 590 HE2 LYS 68 2HE LYS 68 21.210 0.319 -1.583 591 HE3 LYS 68 1HE LYS 68 20.328 0.374 -0.063 592 HZ1 LYS 68 3HZ LYS 68 22.358 0.831 1.099 593 HZ2 LYS 68 1HZ LYS 68 22.168 1.926 -0.157 594 HZ3 LYS 68 2HZ LYS 68 23.274 0.666 -0.318 Start of MODEL 17 1 H1 LYS 1 1HT LYS 1 -12.045 -4.072 -11.566 2 H2 LYS 1 2HT LYS 1 -12.277 -2.669 -10.675 3 H3 LYS 1 3HT LYS 1 -12.951 -2.789 -12.210 4 HA LYS 1 HA LYS 1 -14.630 -3.085 -10.570 5 HB2 LYS 1 2HB LYS 1 -13.836 -5.698 -11.861 6 HB3 LYS 1 1HB LYS 1 -15.401 -5.374 -11.137 7 HG2 LYS 1 2HG LYS 1 -15.793 -3.608 -12.778 8 HG3 LYS 1 1HG LYS 1 -14.223 -3.943 -13.506 9 HD2 LYS 1 2HD LYS 1 -14.948 -6.223 -14.000 10 HD3 LYS 1 1HD LYS 1 -16.520 -5.878 -13.282 11 HE2 LYS 1 2HE LYS 1 -16.937 -4.165 -14.953 12 HE3 LYS 1 1HE LYS 1 -15.340 -4.436 -15.647 13 HZ1 LYS 1 2HZ LYS 1 -17.528 -6.433 -15.541 14 HZ2 LYS 1 3HZ LYS 1 -16.000 -6.684 -16.185 15 HZ3 LYS 1 1HZ LYS 1 -17.044 -5.579 -16.909 16 HA PRO 2 HA PRO 2 -12.910 -4.645 -6.755 17 HB2 PRO 2 2HB PRO 2 -15.583 -3.966 -5.720 18 HB3 PRO 2 1HB PRO 2 -14.012 -3.359 -5.204 19 HG2 PRO 2 2HG PRO 2 -15.734 -1.818 -6.549 20 HG3 PRO 2 1HG PRO 2 -13.982 -1.690 -6.788 21 HD2 PRO 2 2HD PRO 2 -16.032 -3.050 -8.486 22 HD3 PRO 2 1HD PRO 2 -14.637 -2.042 -8.953 23 H VAL 3 H VAL 3 -12.862 -6.838 -6.936 24 HA VAL 3 HA VAL 3 -15.340 -8.264 -7.136 25 HB VAL 3 HB VAL 3 -13.526 -9.194 -8.459 26 HG11 VAL 3 1HG1 VAL 3 -11.513 -10.189 -7.472 27 HG12 VAL 3 2HG1 VAL 3 -11.983 -9.546 -5.896 28 HG13 VAL 3 3HG1 VAL 3 -11.605 -8.447 -7.224 29 HG21 VAL 3 3HG2 VAL 3 -15.130 -10.804 -7.579 30 HG22 VAL 3 1HG2 VAL 3 -14.148 -11.012 -6.133 31 HG23 VAL 3 2HG2 VAL 3 -13.526 -11.538 -7.695 32 H SER 4 H SER 4 -16.438 -7.911 -5.382 33 HA SER 4 HA SER 4 -15.278 -8.212 -2.785 34 HB2 SER 4 2HB SER 4 -17.618 -7.580 -2.057 35 HB3 SER 4 1HB SER 4 -16.782 -6.402 -3.065 36 HG SER 4 HG SER 4 -18.668 -6.531 -4.000 37 H LEU 5 H LEU 5 -16.308 -10.322 -4.948 38 HA LEU 5 HA LEU 5 -17.679 -12.136 -3.141 39 HB2 LEU 5 2HB LEU 5 -16.829 -12.518 -6.008 40 HB3 LEU 5 1HB LEU 5 -17.774 -13.665 -5.080 41 HG LEU 5 HG LEU 5 -18.639 -10.888 -5.877 42 HD11 LEU 5 1HD1 LEU 5 -19.502 -13.591 -6.865 43 HD12 LEU 5 2HD1 LEU 5 -18.554 -12.408 -7.763 44 HD13 LEU 5 3HD1 LEU 5 -20.226 -12.052 -7.326 45 HD21 LEU 5 3HD2 LEU 5 -20.136 -13.074 -4.431 46 HD22 LEU 5 1HD2 LEU 5 -20.846 -11.571 -5.022 47 HD23 LEU 5 2HD2 LEU 5 -19.629 -11.533 -3.746 48 H SER 6 H SER 6 -14.954 -12.759 -5.365 49 HA SER 6 HA SER 6 -13.893 -14.570 -3.366 50 HB2 SER 6 2HB SER 6 -13.192 -14.219 -6.282 51 HB3 SER 6 1HB SER 6 -12.490 -15.426 -5.205 52 HG SER 6 HG SER 6 -15.070 -15.247 -6.267 53 H TYR 7 H TYR 7 -12.505 -13.646 -1.958 54 HA TYR 7 HA TYR 7 -10.084 -12.510 -3.034 55 HB2 TYR 7 2HB TYR 7 -10.110 -10.433 -1.881 56 HB3 TYR 7 1HB TYR 7 -11.684 -10.519 -2.647 57 HD1 TYR 7 1HD TYR 7 -13.679 -11.226 -1.147 58 HD2 TYR 7 2HD TYR 7 -9.879 -10.076 0.398 59 HE1 TYR 7 1HE TYR 7 -14.706 -10.746 1.036 60 HE2 TYR 7 2HE TYR 7 -10.871 -9.601 2.574 61 HH TYR 7 HH TYR 7 -14.024 -10.618 3.396 62 H ARG 8 H ARG 8 -8.437 -12.484 -1.565 63 HA ARG 8 HA ARG 8 -8.989 -13.732 0.979 64 HB2 ARG 8 2HB ARG 8 -7.127 -15.366 0.709 65 HB3 ARG 8 1HB ARG 8 -8.555 -15.723 -0.233 66 HG2 ARG 8 2HG ARG 8 -6.173 -14.326 -1.418 67 HG3 ARG 8 1HG ARG 8 -6.253 -16.083 -1.314 68 HD2 ARG 8 2HD ARG 8 -8.252 -14.298 -2.720 69 HD3 ARG 8 1HD ARG 8 -6.998 -15.254 -3.516 70 HE ARG 8 HE ARG 8 -8.798 -16.741 -1.812 71 HH11 ARG 8 1HH1 ARG 8 -8.253 -15.595 -5.121 72 HH12 ARG 8 2HH1 ARG 8 -9.135 -16.844 -5.854 73 HH21 ARG 8 1HH2 ARG 8 -10.028 -18.454 -2.818 74 HH22 ARG 8 2HH2 ARG 8 -10.174 -18.526 -4.506 75 H CYS 9 H CYS 9 -7.713 -11.252 -0.472 76 HA CYS 9 HA CYS 9 -5.312 -11.167 1.240 77 HB2 CYS 9 2HB CYS 9 -5.144 -10.877 -1.329 78 HB3 CYS 9 1HB CYS 9 -6.015 -9.368 -1.058 79 HA PRO 10 HA PRO 10 -7.366 -8.235 3.910 80 HB2 PRO 10 2HB PRO 10 -4.651 -6.980 3.783 81 HB3 PRO 10 1HB PRO 10 -5.612 -7.350 5.211 82 HG2 PRO 10 2HG PRO 10 -3.543 -8.879 4.512 83 HG3 PRO 10 1HG PRO 10 -5.031 -9.593 5.176 84 HD2 PRO 10 2HD PRO 10 -3.981 -9.608 2.405 85 HD3 PRO 10 1HD PRO 10 -4.991 -10.796 3.256 86 H CYS 11 H CYS 11 -5.098 -7.090 1.430 87 HA CYS 11 HA CYS 11 -6.803 -4.803 1.024 88 HB2 CYS 11 2HB CYS 11 -4.034 -5.393 -0.009 89 HB3 CYS 11 1HB CYS 11 -5.006 -4.060 -0.619 90 H ARG 12 H ARG 12 -8.489 -5.378 -0.066 91 HA ARG 12 HA ARG 12 -8.231 -7.119 -2.376 92 HB2 ARG 12 2HB ARG 12 -10.133 -7.273 -0.722 93 HB3 ARG 12 1HB ARG 12 -10.677 -5.705 -1.303 94 HG2 ARG 12 2HG ARG 12 -10.946 -6.668 -3.555 95 HG3 ARG 12 1HG ARG 12 -10.445 -8.223 -2.915 96 HD2 ARG 12 2HD ARG 12 -12.842 -8.159 -3.008 97 HD3 ARG 12 1HD ARG 12 -12.310 -8.176 -1.331 98 HE ARG 12 HE ARG 12 -12.883 -5.611 -2.541 99 HH11 ARG 12 1HH1 ARG 12 -13.934 -8.217 -0.370 100 HH12 ARG 12 2HH1 ARG 12 -15.210 -7.342 0.326 101 HH21 ARG 12 1HH2 ARG 12 -14.737 -4.399 -1.583 102 HH22 ARG 12 2HH2 ARG 12 -15.663 -5.157 -0.381 103 H PHE 13 H PHE 13 -8.439 -3.837 -1.466 104 HA PHE 13 HA PHE 13 -8.842 -2.916 -4.209 105 HB2 PHE 13 2HB PHE 13 -8.862 -1.397 -1.586 106 HB3 PHE 13 1HB PHE 13 -9.082 -0.681 -3.167 107 HD1 PHE 13 1HD PHE 13 -10.590 -2.901 -0.639 108 HD2 PHE 13 2HD PHE 13 -11.182 -0.726 -4.245 109 HE1 PHE 13 1HE PHE 13 -13.016 -3.216 -0.429 110 HE2 PHE 13 2HE PHE 13 -13.602 -1.042 -4.047 111 HZ PHE 13 HZ PHE 13 -14.526 -2.288 -2.128 112 H PHE 14 H PHE 14 -7.382 -1.393 -5.026 113 HA PHE 14 HA PHE 14 -4.941 -0.835 -3.636 114 HB2 PHE 14 2HB PHE 14 -5.036 -2.276 -6.295 115 HB3 PHE 14 1HB PHE 14 -3.633 -1.373 -5.751 116 HD1 PHE 14 2HD PHE 14 -2.806 -2.019 -3.367 117 HD2 PHE 14 1HD PHE 14 -5.119 -4.552 -5.866 118 HE1 PHE 14 2HE PHE 14 -1.955 -3.949 -2.161 119 HE2 PHE 14 1HE PHE 14 -4.273 -6.522 -4.640 120 HZ PHE 14 HZ PHE 14 -2.684 -6.225 -2.788 121 H GLU 15 H GLU 15 -4.303 1.155 -4.063 122 HA GLU 15 HA GLU 15 -5.583 2.540 -6.286 123 HB2 GLU 15 2HB GLU 15 -6.241 3.364 -4.047 124 HB3 GLU 15 1HB GLU 15 -4.572 3.686 -3.650 125 HG2 GLU 15 2HG GLU 15 -4.460 5.311 -5.502 126 HG3 GLU 15 1HG GLU 15 -6.152 4.992 -5.862 127 H SER 16 H SER 16 -4.243 3.310 -7.801 128 HA SER 16 HA SER 16 -1.378 3.125 -7.326 129 HB2 SER 16 2HB SER 16 -1.308 3.317 -9.849 130 HB3 SER 16 1HB SER 16 -2.089 1.866 -9.219 131 HG SER 16 HG SER 16 -3.121 3.634 -10.879 132 H HIS 17 H HIS 17 -3.851 5.332 -7.360 133 HA HIS 17 HA HIS 17 -2.367 7.552 -8.497 134 HB2 HIS 17 2HB HIS 17 -5.150 7.389 -7.330 135 HB3 HIS 17 1HB HIS 17 -4.434 8.885 -7.907 136 HD1 HIS 17 1HD HIS 17 -6.693 8.627 -9.498 137 HD2 HIS 17 2HD HIS 17 -3.477 6.127 -10.301 138 HE1 HIS 17 1HE HIS 17 -7.037 7.815 -11.838 139 HE2 HIS 17 2HE HIS 17 -4.938 6.533 -12.371 140 H VAL 18 H VAL 18 -1.797 6.129 -5.791 141 HA VAL 18 HA VAL 18 -2.031 8.130 -3.825 142 HB VAL 18 HB VAL 18 -0.098 5.802 -3.989 143 HG11 VAL 18 1HG1 VAL 18 0.537 7.455 -2.328 144 HG12 VAL 18 2HG1 VAL 18 -0.024 5.968 -1.563 145 HG13 VAL 18 3HG1 VAL 18 -1.076 7.379 -1.622 146 HG21 VAL 18 3HG2 VAL 18 -2.849 5.938 -2.762 147 HG22 VAL 18 1HG2 VAL 18 -1.734 4.579 -2.622 148 HG23 VAL 18 2HG2 VAL 18 -2.389 5.020 -4.196 149 H ALA 19 H ALA 19 -0.758 9.857 -3.495 150 HA ALA 19 HA ALA 19 1.673 10.165 -5.111 151 HB1 ALA 19 1HB ALA 19 -0.045 11.909 -5.383 152 HB2 ALA 19 2HB ALA 19 1.436 12.557 -4.667 153 HB3 ALA 19 3HB ALA 19 0.039 12.234 -3.647 154 H ARG 20 H ARG 20 3.588 10.088 -4.114 155 HA ARG 20 HA ARG 20 3.807 9.313 -1.459 156 HB2 ARG 20 2HB ARG 20 5.461 8.652 -3.004 157 HB3 ARG 20 1HB ARG 20 5.886 10.288 -3.410 158 HG2 ARG 20 2HG ARG 20 6.854 10.592 -1.192 159 HG3 ARG 20 1HG ARG 20 6.395 8.938 -0.770 160 HD2 ARG 20 2HD ARG 20 7.801 8.049 -2.479 161 HD3 ARG 20 1HD ARG 20 8.181 9.654 -3.112 162 HE ARG 20 HE ARG 20 8.957 9.491 -0.440 163 HH11 ARG 20 1HH1 ARG 20 9.878 8.078 -3.601 164 HH12 ARG 20 2HH1 ARG 20 11.495 7.828 -3.145 165 HH21 ARG 20 1HH2 ARG 20 11.238 9.114 0.117 166 HH22 ARG 20 2HH2 ARG 20 12.265 8.418 -1.047 167 H ALA 21 H ALA 21 3.907 12.484 -2.890 168 HA ALA 21 HA ALA 21 5.012 13.866 -0.672 169 HB1 ALA 21 1HB ALA 21 4.211 15.891 -1.793 170 HB2 ALA 21 2HB ALA 21 3.233 14.907 -2.878 171 HB3 ALA 21 3HB ALA 21 4.992 14.806 -2.944 172 H ASN 22 H ASN 22 1.967 12.499 -1.281 173 HA ASN 22 HA ASN 22 0.640 14.145 0.752 174 HB2 ASN 22 2HB ASN 22 -0.459 13.922 -1.476 175 HB3 ASN 22 1HB ASN 22 -0.532 12.185 -1.244 176 HD21 ASN 22 1HD2 ASN 22 -1.206 14.605 1.295 177 HD22 ASN 22 2HD2 ASN 22 -2.884 14.188 1.376 178 H VAL 23 H VAL 23 2.308 11.302 0.434 179 HA VAL 23 HA VAL 23 0.697 9.710 2.233 180 HB VAL 23 HB VAL 23 3.465 9.110 1.103 181 HG11 VAL 23 1HG1 VAL 23 2.993 6.801 1.788 182 HG12 VAL 23 2HG1 VAL 23 1.505 7.344 2.563 183 HG13 VAL 23 3HG1 VAL 23 3.069 7.895 3.171 184 HG21 VAL 23 3HG2 VAL 23 1.722 9.238 -0.612 185 HG22 VAL 23 1HG2 VAL 23 0.756 8.079 0.281 186 HG23 VAL 23 2HG2 VAL 23 2.296 7.589 -0.425 187 H LYS 24 H LYS 24 0.839 9.716 4.333 188 HA LYS 24 HA LYS 24 2.621 11.410 5.809 189 HB2 LYS 24 2HB LYS 24 0.239 10.932 6.548 190 HB3 LYS 24 1HB LYS 24 0.705 9.232 6.715 191 HG2 LYS 24 2HG LYS 24 1.986 9.882 8.531 192 HG3 LYS 24 1HG LYS 24 1.699 11.593 8.179 193 HD2 LYS 24 2HD LYS 24 -0.750 11.152 8.305 194 HD3 LYS 24 1HD LYS 24 -0.358 9.519 8.854 195 HE2 LYS 24 2HE LYS 24 0.934 10.430 10.523 196 HE3 LYS 24 1HE LYS 24 0.467 12.069 10.076 197 HZ1 LYS 24 3HZ LYS 24 -1.904 11.478 10.521 198 HZ2 LYS 24 1HZ LYS 24 -0.992 11.380 11.913 199 HZ3 LYS 24 2HZ LYS 24 -1.426 9.972 11.121 200 H ARG 25 H ARG 25 1.978 7.996 5.705 201 HA ARG 25 HA ARG 25 4.732 7.231 5.699 202 HB2 ARG 25 2HB ARG 25 4.320 7.635 8.111 203 HB3 ARG 25 1HB ARG 25 2.963 6.526 8.060 204 HG2 ARG 25 2HG ARG 25 4.484 4.695 7.434 205 HG3 ARG 25 1HG ARG 25 5.847 5.801 7.570 206 HD2 ARG 25 2HD ARG 25 5.373 6.109 9.938 207 HD3 ARG 25 1HD ARG 25 3.958 5.062 9.801 208 HE ARG 25 HE ARG 25 6.226 3.718 8.854 209 HH11 ARG 25 1HH1 ARG 25 4.889 4.825 11.936 210 HH12 ARG 25 2HH1 ARG 25 5.580 3.546 12.833 211 HH21 ARG 25 1HH2 ARG 25 7.161 1.960 10.109 212 HH22 ARG 25 2HH2 ARG 25 6.846 1.907 11.779 213 H LEU 26 H LEU 26 4.866 4.903 5.173 214 HA LEU 26 HA LEU 26 2.375 3.547 4.763 215 HB2 LEU 26 2HB LEU 26 2.729 3.072 2.480 216 HB3 LEU 26 1HB LEU 26 2.735 4.804 2.645 217 HG LEU 26 HG LEU 26 5.216 3.109 2.369 218 HD11 LEU 26 1HD1 LEU 26 5.222 3.873 0.074 219 HD12 LEU 26 2HD1 LEU 26 3.674 4.682 0.361 220 HD13 LEU 26 3HD1 LEU 26 3.781 2.917 0.470 221 HD21 LEU 26 3HD2 LEU 26 4.833 6.074 1.963 222 HD22 LEU 26 1HD2 LEU 26 6.318 5.158 1.764 223 HD23 LEU 26 2HD2 LEU 26 5.613 5.347 3.378 224 H LYS 27 H LYS 27 2.774 1.299 4.223 225 HA LYS 27 HA LYS 27 5.503 0.383 4.615 226 HB2 LYS 27 2HB LYS 27 3.161 -0.610 6.220 227 HB3 LYS 27 1HB LYS 27 4.692 -1.475 6.145 228 HG2 LYS 27 2HG LYS 27 4.803 -0.412 8.141 229 HG3 LYS 27 1HG LYS 27 5.604 0.762 7.110 230 HD2 LYS 27 2HD LYS 27 4.033 2.014 8.474 231 HD3 LYS 27 1HD LYS 27 3.453 1.854 6.795 232 HE2 LYS 27 2HE LYS 27 1.858 0.249 7.337 233 HE3 LYS 27 1HE LYS 27 2.532 -0.031 8.945 234 HZ1 LYS 27 3HZ LYS 27 1.088 2.404 8.011 235 HZ2 LYS 27 1HZ LYS 27 1.768 2.206 9.539 236 HZ3 LYS 27 2HZ LYS 27 0.503 1.232 9.037 237 H ILE 28 H ILE 28 5.893 -1.627 3.783 238 HA ILE 28 HA ILE 28 3.826 -2.698 1.990 239 HB ILE 28 HB ILE 28 6.853 -2.923 1.802 240 HG12 ILE 28 2HG1 ILE 28 4.833 -1.539 0.030 241 HG13 ILE 28 1HG1 ILE 28 6.110 -0.807 0.981 242 HG21 ILE 28 1HG2 ILE 28 4.815 -4.217 -0.003 243 HG22 ILE 28 2HG2 ILE 28 5.894 -5.042 1.139 244 HG23 ILE 28 3HG2 ILE 28 6.566 -4.175 -0.244 245 HD11 ILE 28 3HD1 ILE 28 6.692 -0.847 -1.375 246 HD12 ILE 28 1HD1 ILE 28 6.503 -2.599 -1.410 247 HD13 ILE 28 2HD1 ILE 28 7.791 -1.869 -0.450 248 H LEU 29 H LEU 29 2.930 -4.469 2.761 249 HA LEU 29 HA LEU 29 4.396 -6.077 4.715 250 HB2 LEU 29 2HB LEU 29 1.498 -6.125 3.893 251 HB3 LEU 29 1HB LEU 29 2.202 -7.110 5.152 252 HG LEU 29 HG LEU 29 1.955 -4.103 5.205 253 HD11 LEU 29 1HD1 LEU 29 -0.198 -5.218 5.403 254 HD12 LEU 29 2HD1 LEU 29 0.278 -4.519 6.953 255 HD13 LEU 29 3HD1 LEU 29 0.444 -6.254 6.666 256 HD21 LEU 29 3HD2 LEU 29 3.912 -4.881 6.439 257 HD22 LEU 29 1HD2 LEU 29 2.917 -6.052 7.302 258 HD23 LEU 29 2HD2 LEU 29 2.660 -4.323 7.547 259 H ASN 30 H ASN 30 5.193 -7.976 4.158 260 HA ASN 30 HA ASN 30 4.668 -8.913 1.454 261 HB2 ASN 30 2HB ASN 30 6.810 -9.806 3.412 262 HB3 ASN 30 1HB ASN 30 6.629 -10.396 1.771 263 HD21 ASN 30 1HD2 ASN 30 5.950 -7.700 0.778 264 HD22 ASN 30 2HD2 ASN 30 7.445 -6.841 0.738 265 H THR 31 H THR 31 2.537 -9.716 2.006 266 HA THR 31 HA THR 31 2.343 -11.848 3.858 267 HB THR 31 HB THR 31 0.041 -12.021 2.641 268 HG1 THR 31 1HG THR 31 0.052 -9.408 2.220 269 HG21 THR 31 3HG2 THR 31 0.771 -9.657 4.380 270 HG22 THR 31 1HG2 THR 31 0.326 -11.272 4.946 271 HG23 THR 31 2HG2 THR 31 -0.855 -10.281 4.082 272 HA PRO 32 HA PRO 32 3.744 -14.902 0.879 273 HB2 PRO 32 2HB PRO 32 2.491 -17.108 2.021 274 HB3 PRO 32 1HB PRO 32 4.080 -16.483 2.466 275 HG2 PRO 32 2HG PRO 32 1.437 -16.052 3.779 276 HG3 PRO 32 1HG PRO 32 3.037 -16.245 4.511 277 HD2 PRO 32 2HD PRO 32 1.862 -13.833 4.317 278 HD3 PRO 32 1HD PRO 32 3.608 -14.021 4.146 279 H ASN 33 H ASN 33 0.373 -14.439 1.531 280 HA ASN 33 HA ASN 33 -0.419 -16.117 -0.774 281 HB2 ASN 33 2HB ASN 33 -2.608 -16.094 0.035 282 HB3 ASN 33 1HB ASN 33 -1.701 -15.928 1.536 283 HD21 ASN 33 1HD2 ASN 33 -1.466 -13.733 2.403 284 HD22 ASN 33 2HD2 ASN 33 -2.675 -12.574 2.026 285 H CYS 34 H CYS 34 0.068 -12.767 0.033 286 HA CYS 34 HA CYS 34 -1.355 -11.846 -2.401 287 HB2 CYS 34 2HB CYS 34 -0.301 -10.289 -0.048 288 HB3 CYS 34 1HB CYS 34 -1.237 -9.619 -1.356 289 H ALA 35 H ALA 35 1.752 -12.375 -1.078 290 HA ALA 35 HA ALA 35 3.846 -11.977 -1.644 291 HB1 ALA 35 1HB ALA 35 2.769 -10.732 -4.179 292 HB2 ALA 35 2HB ALA 35 3.239 -12.421 -3.987 293 HB3 ALA 35 3HB ALA 35 4.456 -11.146 -3.882 294 H LEU 36 H LEU 36 1.955 -9.159 -2.635 295 HA LEU 36 HA LEU 36 3.456 -7.526 -0.720 296 HB2 LEU 36 2HB LEU 36 2.929 -6.802 -3.588 297 HB3 LEU 36 1HB LEU 36 3.545 -5.713 -2.372 298 HG LEU 36 HG LEU 36 4.983 -8.173 -3.360 299 HD11 LEU 36 1HD1 LEU 36 5.379 -5.259 -3.924 300 HD12 LEU 36 2HD1 LEU 36 4.717 -6.447 -5.054 301 HD13 LEU 36 3HD1 LEU 36 6.394 -6.584 -4.499 302 HD21 LEU 36 3HD2 LEU 36 5.570 -7.551 -1.090 303 HD22 LEU 36 1HD2 LEU 36 5.836 -5.887 -1.601 304 HD23 LEU 36 2HD2 LEU 36 6.891 -7.172 -2.195 305 H GLN 37 H GLN 37 2.107 -6.296 0.427 306 HA GLN 37 HA GLN 37 -0.216 -5.211 -0.907 307 HB2 GLN 37 2HB GLN 37 -1.672 -5.656 1.013 308 HB3 GLN 37 1HB GLN 37 -1.000 -7.173 0.455 309 HG2 GLN 37 2HG GLN 37 0.691 -6.992 2.269 310 HG3 GLN 37 1HG GLN 37 -0.198 -5.590 2.876 311 HE21 GLN 37 1HE2 GLN 37 -1.560 -8.562 1.498 312 HE22 GLN 37 2HE2 GLN 37 -2.319 -9.048 2.964 313 H ILE 38 H ILE 38 -0.298 -3.060 -0.545 314 HA ILE 38 HA ILE 38 1.644 -2.002 1.411 315 HB ILE 38 HB ILE 38 0.872 -0.729 -1.206 316 HG12 ILE 38 2HG1 ILE 38 3.269 -2.493 -0.632 317 HG13 ILE 38 1HG1 ILE 38 1.900 -2.901 -1.640 318 HG21 ILE 38 1HG2 ILE 38 3.213 -0.318 0.686 319 HG22 ILE 38 2HG2 ILE 38 1.841 0.767 0.491 320 HG23 ILE 38 3HG2 ILE 38 2.986 0.539 -0.836 321 HD11 ILE 38 3HD1 ILE 38 3.791 -0.652 -2.139 322 HD12 ILE 38 1HD1 ILE 38 2.456 -1.126 -3.180 323 HD13 ILE 38 2HD1 ILE 38 3.837 -2.216 -2.948 324 H VAL 39 H VAL 39 1.030 -0.029 2.440 325 HA VAL 39 HA VAL 39 -1.737 0.808 2.004 326 HB VAL 39 HB VAL 39 -2.070 1.125 4.454 327 HG11 VAL 39 1HG1 VAL 39 -2.956 -0.847 3.358 328 HG12 VAL 39 2HG1 VAL 39 -2.437 -1.242 5.000 329 HG13 VAL 39 3HG1 VAL 39 -1.437 -1.704 3.618 330 HG21 VAL 39 3HG2 VAL 39 -0.560 -0.001 6.046 331 HG22 VAL 39 1HG2 VAL 39 0.277 1.258 5.136 332 HG23 VAL 39 2HG2 VAL 39 0.510 -0.436 4.710 333 H ALA 40 H ALA 40 -2.087 2.939 1.983 334 HA ALA 40 HA ALA 40 0.183 4.739 2.603 335 HB1 ALA 40 1HB ALA 40 -2.009 5.127 0.582 336 HB2 ALA 40 2HB ALA 40 -0.407 4.610 0.150 337 HB3 ALA 40 3HB ALA 40 -0.660 6.201 0.862 338 H ARG 41 H ARG 41 -0.291 6.046 4.264 339 HA ARG 41 HA ARG 41 -3.095 6.773 4.522 340 HB2 ARG 41 2HB ARG 41 -2.275 5.764 6.614 341 HB3 ARG 41 1HB ARG 41 -0.963 6.939 6.660 342 HG2 ARG 41 2HG ARG 41 -2.331 8.667 7.179 343 HG3 ARG 41 1HG ARG 41 -3.774 7.881 6.556 344 HD2 ARG 41 2HD ARG 41 -3.883 7.978 8.953 345 HD3 ARG 41 1HD ARG 41 -3.707 6.313 8.424 346 HE ARG 41 HE ARG 41 -1.183 6.960 9.019 347 HH11 ARG 41 1HH1 ARG 41 -4.220 7.501 10.757 348 HH12 ARG 41 2HH1 ARG 41 -3.537 7.385 12.308 349 HH21 ARG 41 1HH2 ARG 41 -0.218 6.806 11.200 350 HH22 ARG 41 2HH2 ARG 41 -1.230 6.979 12.554 351 H LEU 42 H LEU 42 -3.717 8.671 4.194 352 HA LEU 42 HA LEU 42 -1.879 10.497 2.911 353 HB2 LEU 42 2HB LEU 42 -4.688 11.095 3.754 354 HB3 LEU 42 1HB LEU 42 -3.805 12.033 2.611 355 HG LEU 42 HG LEU 42 -5.233 9.487 2.326 356 HD11 LEU 42 1HD1 LEU 42 -5.876 10.388 0.136 357 HD12 LEU 42 2HD1 LEU 42 -4.961 11.835 0.518 358 HD13 LEU 42 3HD1 LEU 42 -6.356 11.380 1.504 359 HD21 LEU 42 3HD2 LEU 42 -2.865 10.125 0.547 360 HD22 LEU 42 1HD2 LEU 42 -4.053 8.861 0.225 361 HD23 LEU 42 2HD2 LEU 42 -3.006 8.750 1.641 362 H LYS 43 H LYS 43 -1.135 12.485 3.580 363 HA LYS 43 HA LYS 43 -0.688 12.836 6.363 364 HB2 LYS 43 2HB LYS 43 -0.349 14.897 4.147 365 HB3 LYS 43 1HB LYS 43 0.332 14.998 5.755 366 HG2 LYS 43 2HG LYS 43 1.697 13.151 5.379 367 HG3 LYS 43 1HG LYS 43 1.020 12.931 3.759 368 HD2 LYS 43 2HD LYS 43 1.825 15.047 3.053 369 HD3 LYS 43 1HD LYS 43 2.303 15.481 4.701 370 HE2 LYS 43 2HE LYS 43 3.786 13.783 4.775 371 HE3 LYS 43 1HE LYS 43 3.431 13.179 3.142 372 HZ1 LYS 43 3HZ LYS 43 4.694 15.793 3.884 373 HZ2 LYS 43 1HZ LYS 43 4.208 15.416 2.305 374 HZ3 LYS 43 2HZ LYS 43 5.412 14.527 3.050 375 H ASN 44 H ASN 44 -2.882 14.393 4.078 376 HA ASN 44 HA ASN 44 -3.893 16.103 6.211 377 HB2 ASN 44 2HB ASN 44 -4.390 16.219 3.234 378 HB3 ASN 44 1HB ASN 44 -5.207 17.252 4.393 379 HD21 ASN 44 1HD2 ASN 44 -4.362 19.088 3.479 380 HD22 ASN 44 2HD2 ASN 44 -2.700 19.536 3.644 381 H ASN 45 H ASN 45 -5.127 13.730 3.899 382 HA ASN 45 HA ASN 45 -7.765 13.860 4.990 383 HB2 ASN 45 2HB ASN 45 -7.212 13.100 2.649 384 HB3 ASN 45 1HB ASN 45 -6.562 11.636 3.386 385 HD21 ASN 45 1HD2 ASN 45 -8.070 10.395 2.147 386 HD22 ASN 45 2HD2 ASN 45 -9.711 10.314 2.616 387 H ASN 46 H ASN 46 -4.875 12.184 5.739 388 HA ASN 46 HA ASN 46 -4.188 10.757 7.300 389 HB2 ASN 46 2HB ASN 46 -5.229 12.571 8.773 390 HB3 ASN 46 1HB ASN 46 -6.649 11.542 8.906 391 HD21 ASN 46 1HD2 ASN 46 -6.426 11.264 11.123 392 HD22 ASN 46 2HD2 ASN 46 -5.179 10.315 11.824 393 H ARG 47 H ARG 47 -6.157 9.941 5.269 394 HA ARG 47 HA ARG 47 -7.168 7.567 6.621 395 HB2 ARG 47 2HB ARG 47 -8.169 8.850 4.091 396 HB3 ARG 47 1HB ARG 47 -8.698 7.275 4.658 397 HG2 ARG 47 2HG ARG 47 -9.533 8.280 6.722 398 HG3 ARG 47 1HG ARG 47 -8.986 9.857 6.158 399 HD2 ARG 47 2HD ARG 47 -10.497 9.720 4.277 400 HD3 ARG 47 1HD ARG 47 -11.032 8.127 4.807 401 HE ARG 47 HE ARG 47 -11.693 9.325 6.933 402 HH11 ARG 47 1HH1 ARG 47 -11.852 10.890 3.768 403 HH12 ARG 47 2HH1 ARG 47 -13.162 11.887 4.145 404 HH21 ARG 47 1HH2 ARG 47 -13.514 10.676 7.472 405 HH22 ARG 47 2HH2 ARG 47 -14.166 11.752 6.324 406 H GLN 48 H GLN 48 -7.030 5.599 5.599 407 HA GLN 48 HA GLN 48 -4.554 5.400 4.138 408 HB2 GLN 48 2HB GLN 48 -4.184 4.547 6.188 409 HB3 GLN 48 1HB GLN 48 -5.812 3.927 6.343 410 HG2 GLN 48 2HG GLN 48 -5.317 2.148 4.857 411 HG3 GLN 48 1HG GLN 48 -3.735 2.830 4.495 412 HE21 GLN 48 1HE2 GLN 48 -4.518 0.197 5.622 413 HE22 GLN 48 2HE2 GLN 48 -3.709 0.084 7.147 414 H VAL 49 H VAL 49 -4.454 4.407 2.337 415 HA VAL 49 HA VAL 49 -6.621 2.652 1.399 416 HB VAL 49 HB VAL 49 -6.254 3.508 -0.900 417 HG11 VAL 49 1HG1 VAL 49 -7.322 5.687 -0.663 418 HG12 VAL 49 2HG1 VAL 49 -6.908 5.709 1.052 419 HG13 VAL 49 3HG1 VAL 49 -8.031 4.498 0.430 420 HG21 VAL 49 3HG2 VAL 49 -4.451 5.558 0.403 421 HG22 VAL 49 1HG2 VAL 49 -4.951 5.559 -1.288 422 HG23 VAL 49 2HG2 VAL 49 -3.937 4.257 -0.669 423 H CYS 50 H CYS 50 -5.894 0.913 0.177 424 HA CYS 50 HA CYS 50 -3.177 0.115 0.614 425 HB2 CYS 50 2HB CYS 50 -5.389 -1.149 -0.995 426 HB3 CYS 50 1HB CYS 50 -3.884 -1.940 -0.696 427 H ILE 51 H ILE 51 -1.520 0.098 -0.834 428 HA ILE 51 HA ILE 51 -1.966 1.708 -3.263 429 HB ILE 51 HB ILE 51 0.753 0.921 -2.232 430 HG12 ILE 51 2HG1 ILE 51 -0.864 3.315 -1.357 431 HG13 ILE 51 1HG1 ILE 51 -0.440 1.944 -0.340 432 HG21 ILE 51 1HG2 ILE 51 -0.313 3.243 -3.817 433 HG22 ILE 51 2HG2 ILE 51 0.610 1.887 -4.446 434 HG23 ILE 51 3HG2 ILE 51 1.374 3.044 -3.345 435 HD11 ILE 51 3HD1 ILE 51 1.160 3.650 0.199 436 HD12 ILE 51 1HD1 ILE 51 1.426 3.977 -1.526 437 HD13 ILE 51 2HD1 ILE 51 1.951 2.473 -0.822 438 H ASP 52 H ASP 52 -1.403 0.953 -5.233 439 HA ASP 52 HA ASP 52 -1.194 -1.884 -5.616 440 HB2 ASP 52 2HB ASP 52 -2.383 -0.316 -7.191 441 HB3 ASP 52 1HB ASP 52 -0.821 0.346 -7.622 442 HA PRO 53 HA PRO 53 3.227 -1.875 -4.980 443 HB2 PRO 53 2HB PRO 53 3.802 -4.333 -5.868 444 HB3 PRO 53 1HB PRO 53 3.039 -4.025 -4.301 445 HG2 PRO 53 2HG PRO 53 1.745 -4.830 -6.891 446 HG3 PRO 53 1HG PRO 53 1.434 -5.454 -5.261 447 HD2 PRO 53 2HD PRO 53 -0.195 -3.656 -6.396 448 HD3 PRO 53 1HD PRO 53 0.171 -3.602 -4.663 449 H LYS 54 H LYS 54 1.888 -1.910 -8.113 450 HA LYS 54 HA LYS 54 4.424 -2.381 -9.368 451 HB2 LYS 54 2HB LYS 54 1.814 -1.503 -10.588 452 HB3 LYS 54 1HB LYS 54 3.269 -1.863 -11.507 453 HG2 LYS 54 2HG LYS 54 3.236 -4.145 -10.565 454 HG3 LYS 54 1HG LYS 54 1.700 -3.765 -9.789 455 HD2 LYS 54 2HD LYS 54 0.712 -3.329 -11.991 456 HD3 LYS 54 1HD LYS 54 2.255 -3.714 -12.753 457 HE2 LYS 54 2HE LYS 54 2.150 -5.972 -11.791 458 HE3 LYS 54 1HE LYS 54 0.582 -5.585 -11.086 459 HZ1 LYS 54 3HZ LYS 54 1.238 -5.683 -13.974 460 HZ2 LYS 54 1HZ LYS 54 -0.281 -5.269 -13.330 461 HZ3 LYS 54 2HZ LYS 54 0.347 -6.811 -13.092 462 H LEU 55 H LEU 55 3.108 0.246 -7.867 463 HA LEU 55 HA LEU 55 4.072 2.324 -9.519 464 HB2 LEU 55 2HB LEU 55 3.667 2.303 -6.537 465 HB3 LEU 55 1HB LEU 55 4.062 3.739 -7.462 466 HG LEU 55 HG LEU 55 1.544 2.097 -7.674 467 HD11 LEU 55 1HD1 LEU 55 2.066 4.871 -6.629 468 HD12 LEU 55 2HD1 LEU 55 1.660 3.450 -5.669 469 HD13 LEU 55 3HD1 LEU 55 0.481 4.120 -6.793 470 HD21 LEU 55 3HD2 LEU 55 2.155 2.972 -9.853 471 HD22 LEU 55 1HD2 LEU 55 2.407 4.573 -9.156 472 HD23 LEU 55 2HD2 LEU 55 0.789 3.874 -9.196 473 H LYS 56 H LYS 56 5.926 3.176 -9.845 474 HA LYS 56 HA LYS 56 8.275 1.725 -9.195 475 HB2 LYS 56 2HB LYS 56 7.737 3.030 -11.341 476 HB3 LYS 56 1HB LYS 56 8.074 4.478 -10.419 477 HG2 LYS 56 2HG LYS 56 10.068 2.285 -10.973 478 HG3 LYS 56 1HG LYS 56 9.926 3.764 -11.907 479 HD2 LYS 56 2HD LYS 56 10.497 5.047 -9.863 480 HD3 LYS 56 1HD LYS 56 10.688 3.523 -8.993 481 HE2 LYS 56 2HE LYS 56 12.292 4.445 -11.378 482 HE3 LYS 56 1HE LYS 56 12.842 4.379 -9.707 483 HZ1 LYS 56 3HZ LYS 56 12.084 2.048 -11.388 484 HZ2 LYS 56 1HZ LYS 56 12.556 1.948 -9.778 485 HZ3 LYS 56 2HZ LYS 56 13.641 2.478 -10.953 486 H TRP 57 H TRP 57 6.864 4.813 -8.115 487 HA TRP 57 HA TRP 57 9.162 5.546 -6.624 488 HB2 TRP 57 2HB TRP 57 7.874 7.335 -5.599 489 HB3 TRP 57 1HB TRP 57 7.432 7.241 -7.289 490 HD1 TRP 57 HD TRP 57 4.844 6.952 -7.804 491 HE1 TRP 57 1HE TRP 57 2.733 6.812 -6.305 492 HE3 TRP 57 3HE TRP 57 7.093 6.313 -3.283 493 HZ2 TRP 57 2HZ TRP 57 2.133 6.444 -3.485 494 HZ3 TRP 57 3HZ TRP 57 5.729 6.078 -1.300 495 HH2 TRP 57 HH TRP 57 3.283 6.116 -1.423 496 H ILE 58 H ILE 58 6.502 3.504 -5.923 497 HA ILE 58 HA ILE 58 6.668 3.377 -3.113 498 HB ILE 58 HB ILE 58 5.652 1.538 -5.251 499 HG12 ILE 58 2HG1 ILE 58 4.332 3.514 -4.563 500 HG13 ILE 58 1HG1 ILE 58 3.446 2.047 -4.268 501 HG21 ILE 58 1HG2 ILE 58 5.620 0.825 -2.335 502 HG22 ILE 58 2HG2 ILE 58 6.585 0.054 -3.592 503 HG23 ILE 58 3HG2 ILE 58 4.825 -0.050 -3.653 504 HD11 ILE 58 3HD1 ILE 58 4.928 3.663 -2.259 505 HD12 ILE 58 1HD1 ILE 58 4.122 2.123 -1.943 506 HD13 ILE 58 2HD1 ILE 58 3.196 3.523 -2.466 507 H GLN 59 H GLN 59 8.021 1.335 -5.614 508 HA GLN 59 HA GLN 59 9.395 -0.240 -3.732 509 HB2 GLN 59 2HB GLN 59 10.416 -1.319 -5.731 510 HB3 GLN 59 1HB GLN 59 8.661 -1.314 -5.653 511 HG2 GLN 59 2HG GLN 59 8.638 0.570 -7.238 512 HG3 GLN 59 1HG GLN 59 10.392 0.448 -7.367 513 HE21 GLN 59 1HE2 GLN 59 8.326 -2.309 -6.975 514 HE22 GLN 59 2HE2 GLN 59 8.523 -2.987 -8.514 515 H GLU 60 H GLU 60 10.246 2.561 -5.637 516 HA GLU 60 HA GLU 60 13.030 2.242 -5.081 517 HB2 GLU 60 2HB GLU 60 12.296 3.388 -7.134 518 HB3 GLU 60 1HB GLU 60 11.524 4.636 -6.175 519 HG2 GLU 60 2HG GLU 60 13.648 5.417 -5.387 520 HG3 GLU 60 1HG GLU 60 14.467 4.064 -6.155 521 H TYR 61 H TYR 61 10.616 2.932 -3.165 522 HA TYR 61 HA TYR 61 12.211 4.650 -1.403 523 HB2 TYR 61 2HB TYR 61 10.065 5.601 -2.133 524 HB3 TYR 61 1HB TYR 61 9.224 4.181 -1.560 525 HD1 TYR 61 2HD TYR 61 11.789 5.256 0.739 526 HD2 TYR 61 1HD TYR 61 7.815 5.993 -0.558 527 HE1 TYR 61 2HE TYR 61 11.318 6.442 2.856 528 HE2 TYR 61 1HE TYR 61 7.317 7.160 1.496 529 HH TYR 61 HH TYR 61 9.774 8.087 3.724 530 H LEU 62 H LEU 62 9.631 2.261 -1.105 531 HA LEU 62 HA LEU 62 10.595 1.339 1.404 532 HB2 LEU 62 2HB LEU 62 8.419 0.555 -0.403 533 HB3 LEU 62 1HB LEU 62 8.790 -0.511 0.909 534 HG LEU 62 HG LEU 62 6.920 0.894 1.526 535 HD11 LEU 62 1HD1 LEU 62 8.480 0.465 3.324 536 HD12 LEU 62 2HD1 LEU 62 7.703 2.038 3.502 537 HD13 LEU 62 3HD1 LEU 62 9.362 1.939 2.925 538 HD21 LEU 62 3HD2 LEU 62 8.659 3.238 0.807 539 HD22 LEU 62 1HD2 LEU 62 7.061 3.322 1.542 540 HD23 LEU 62 2HD2 LEU 62 7.249 2.666 -0.087 541 H GLU 63 H GLU 63 11.242 0.293 -1.802 542 HA GLU 63 HA GLU 63 12.197 -2.177 -0.628 543 HB2 GLU 63 2HB GLU 63 11.482 -1.668 -3.499 544 HB3 GLU 63 1HB GLU 63 12.259 -3.136 -2.928 545 HG2 GLU 63 2HG GLU 63 10.314 -3.487 -1.410 546 HG3 GLU 63 1HG GLU 63 9.526 -2.121 -2.201 547 H LYS 64 H LYS 64 13.130 0.635 -2.222 548 HA LYS 64 HA LYS 64 15.695 -0.470 -2.843 549 HB2 LYS 64 2HB LYS 64 14.609 0.997 -4.483 550 HB3 LYS 64 1HB LYS 64 14.553 2.302 -3.324 551 HG2 LYS 64 2HG LYS 64 17.124 1.155 -4.431 552 HG3 LYS 64 1HG LYS 64 16.272 2.506 -5.158 553 HD2 LYS 64 2HD LYS 64 16.568 3.798 -3.104 554 HD3 LYS 64 1HD LYS 64 17.381 2.426 -2.354 555 HE2 LYS 64 2HE LYS 64 19.124 2.536 -4.060 556 HE3 LYS 64 1HE LYS 64 18.317 3.923 -4.797 557 HZ1 LYS 64 3HZ LYS 64 19.379 3.807 -2.042 558 HZ2 LYS 64 1HZ LYS 64 18.664 5.153 -2.753 559 HZ3 LYS 64 2HZ LYS 64 20.148 4.567 -3.327 560 H ALA 65 H ALA 65 14.187 1.656 -0.542 561 HA ALA 65 HA ALA 65 16.842 2.139 0.638 562 HB1 ALA 65 1HB ALA 65 15.509 4.154 0.146 563 HB2 ALA 65 2HB ALA 65 15.847 3.991 1.872 564 HB3 ALA 65 3HB ALA 65 14.257 3.565 1.237 565 H LEU 66 H LEU 66 13.653 0.971 1.459 566 HA LEU 66 HA LEU 66 14.531 0.368 4.151 567 HB2 LEU 66 2HB LEU 66 11.954 0.055 2.721 568 HB3 LEU 66 1HB LEU 66 12.161 -0.793 4.219 569 HG LEU 66 HG LEU 66 10.920 1.251 4.612 570 HD11 LEU 66 1HD1 LEU 66 12.291 2.413 6.243 571 HD12 LEU 66 2HD1 LEU 66 13.730 1.626 5.604 572 HD13 LEU 66 3HD1 LEU 66 12.461 0.665 6.366 573 HD21 LEU 66 3HD2 LEU 66 11.816 3.485 4.113 574 HD22 LEU 66 1HD2 LEU 66 11.597 2.541 2.640 575 HD23 LEU 66 2HD2 LEU 66 13.207 2.745 3.325 576 H ASN 67 H ASN 67 14.300 -1.302 1.217 577 HA ASN 67 HA ASN 67 14.549 -3.853 2.668 578 HB2 ASN 67 2HB ASN 67 12.675 -3.305 0.924 579 HB3 ASN 67 1HB ASN 67 13.946 -3.532 -0.222 580 HD21 ASN 67 1HD2 ASN 67 11.510 -4.979 0.539 581 HD22 ASN 67 2HD2 ASN 67 11.929 -6.660 0.594 582 H LYS 68 H LYS 68 15.682 -2.143 -0.193 583 HA LYS 68 HA LYS 68 17.570 -2.080 -1.345 584 HB2 LYS 68 2HB LYS 68 18.784 -3.030 1.257 585 HB3 LYS 68 1HB LYS 68 19.741 -2.474 -0.121 586 HG2 LYS 68 2HG LYS 68 18.673 -0.272 0.107 587 HG3 LYS 68 1HG LYS 68 17.759 -0.878 1.487 588 HD2 LYS 68 2HD LYS 68 19.842 -1.296 2.690 589 HD3 LYS 68 1HD LYS 68 20.759 -0.720 1.296 590 HE2 LYS 68 2HE LYS 68 19.717 1.481 1.514 591 HE3 LYS 68 1HE LYS 68 18.787 0.910 2.894 592 HZ1 LYS 68 3HZ LYS 68 20.857 0.551 4.085 593 HZ2 LYS 68 1HZ LYS 68 20.721 2.152 3.583 594 HZ3 LYS 68 2HZ LYS 68 21.748 1.103 2.761 Start of MODEL 18 1 H1 LYS 1 1HT LYS 1 -24.919 -21.068 -1.307 2 H2 LYS 1 2HT LYS 1 -24.695 -22.562 -2.030 3 H3 LYS 1 3HT LYS 1 -26.265 -21.963 -1.830 4 HA LYS 1 HA LYS 1 -25.527 -21.807 -4.081 5 HB2 LYS 1 2HB LYS 1 -25.919 -19.406 -4.439 6 HB3 LYS 1 1HB LYS 1 -27.039 -20.048 -3.255 7 HG2 LYS 1 2HG LYS 1 -25.688 -19.080 -1.452 8 HG3 LYS 1 1HG LYS 1 -24.557 -18.442 -2.645 9 HD2 LYS 1 2HD LYS 1 -26.379 -17.098 -3.624 10 HD3 LYS 1 1HD LYS 1 -27.481 -17.725 -2.400 11 HE2 LYS 1 2HE LYS 1 -26.096 -16.717 -0.642 12 HE3 LYS 1 1HE LYS 1 -24.998 -16.087 -1.870 13 HZ1 LYS 1 2HZ LYS 1 -26.563 -14.400 -1.135 14 HZ2 LYS 1 3HZ LYS 1 -27.861 -15.367 -1.556 15 HZ3 LYS 1 1HZ LYS 1 -26.832 -14.769 -2.752 16 HA PRO 2 HA PRO 2 -21.175 -20.961 -4.570 17 HB2 PRO 2 2HB PRO 2 -21.563 -20.290 -7.376 18 HB3 PRO 2 1HB PRO 2 -20.820 -21.737 -6.691 19 HG2 PRO 2 2HG PRO 2 -23.215 -21.768 -8.000 20 HG3 PRO 2 1HG PRO 2 -22.780 -22.923 -6.728 21 HD2 PRO 2 2HD PRO 2 -24.494 -20.475 -6.565 22 HD3 PRO 2 1HD PRO 2 -24.721 -22.074 -5.817 23 H VAL 3 H VAL 3 -20.831 -19.084 -3.498 24 HA VAL 3 HA VAL 3 -21.249 -16.650 -5.020 25 HB VAL 3 HB VAL 3 -22.849 -16.610 -3.200 26 HG11 VAL 3 1HG1 VAL 3 -20.551 -17.050 -1.308 27 HG12 VAL 3 2HG1 VAL 3 -21.841 -18.197 -1.672 28 HG13 VAL 3 3HG1 VAL 3 -22.209 -16.686 -0.838 29 HG21 VAL 3 3HG2 VAL 3 -20.527 -14.796 -2.582 30 HG22 VAL 3 1HG2 VAL 3 -22.187 -14.563 -2.027 31 HG23 VAL 3 2HG2 VAL 3 -21.809 -14.482 -3.748 32 H SER 4 H SER 4 -19.449 -15.927 -5.704 33 HA SER 4 HA SER 4 -16.982 -16.607 -4.412 34 HB2 SER 4 2HB SER 4 -17.532 -15.014 -6.909 35 HB3 SER 4 1HB SER 4 -15.945 -15.568 -6.375 36 HG SER 4 HG SER 4 -16.690 -17.690 -6.568 37 H LEU 5 H LEU 5 -17.139 -15.456 -2.497 38 HA LEU 5 HA LEU 5 -16.337 -12.683 -2.704 39 HB2 LEU 5 2HB LEU 5 -18.625 -13.633 -0.967 40 HB3 LEU 5 1HB LEU 5 -17.816 -12.101 -0.729 41 HG LEU 5 HG LEU 5 -19.435 -12.896 -3.156 42 HD11 LEU 5 1HD1 LEU 5 -20.041 -10.983 -0.902 43 HD12 LEU 5 2HD1 LEU 5 -20.808 -12.547 -1.173 44 HD13 LEU 5 3HD1 LEU 5 -21.039 -11.239 -2.332 45 HD21 LEU 5 3HD2 LEU 5 -18.142 -10.261 -2.432 46 HD22 LEU 5 1HD2 LEU 5 -19.220 -10.538 -3.797 47 HD23 LEU 5 2HD2 LEU 5 -17.653 -11.335 -3.745 48 H SER 6 H SER 6 -14.331 -13.115 -2.019 49 HA SER 6 HA SER 6 -13.921 -13.537 0.756 50 HB2 SER 6 2HB SER 6 -14.224 -15.899 0.012 51 HB3 SER 6 1HB SER 6 -12.923 -15.683 -1.154 52 HG SER 6 HG SER 6 -12.805 -15.679 1.665 53 H TYR 7 H TYR 7 -11.786 -12.960 1.317 54 HA TYR 7 HA TYR 7 -10.068 -12.237 -0.899 55 HB2 TYR 7 2HB TYR 7 -9.422 -10.087 0.153 56 HB3 TYR 7 1HB TYR 7 -11.110 -10.123 -0.317 57 HD1 TYR 7 1HD TYR 7 -12.860 -10.213 1.427 58 HD2 TYR 7 2HD TYR 7 -8.747 -9.840 2.441 59 HE1 TYR 7 1HE TYR 7 -13.490 -9.457 3.682 60 HE2 TYR 7 2HE TYR 7 -9.367 -9.083 4.699 61 HH TYR 7 HH TYR 7 -12.507 -9.384 5.908 62 H ARG 8 H ARG 8 -8.081 -12.618 -0.729 63 HA ARG 8 HA ARG 8 -7.216 -14.012 1.690 64 HB2 ARG 8 2HB ARG 8 -5.482 -15.116 0.222 65 HB3 ARG 8 1HB ARG 8 -7.141 -15.577 -0.113 66 HG2 ARG 8 2HG ARG 8 -5.754 -13.443 -1.717 67 HG3 ARG 8 1HG ARG 8 -5.570 -15.157 -2.093 68 HD2 ARG 8 2HD ARG 8 -7.919 -15.400 -2.441 69 HD3 ARG 8 1HD ARG 8 -8.259 -13.774 -1.887 70 HE ARG 8 HE ARG 8 -6.658 -13.321 -3.970 71 HH11 ARG 8 1HH1 ARG 8 -9.417 -15.518 -3.625 72 HH12 ARG 8 2HH1 ARG 8 -9.959 -15.317 -5.229 73 HH21 ARG 8 1HH2 ARG 8 -7.407 -13.051 -6.187 74 HH22 ARG 8 2HH2 ARG 8 -8.786 -13.870 -6.720 75 H CYS 9 H CYS 9 -6.807 -11.313 -0.050 76 HA CYS 9 HA CYS 9 -4.130 -10.835 1.067 77 HB2 CYS 9 2HB CYS 9 -5.552 -9.381 -1.187 78 HB3 CYS 9 1HB CYS 9 -3.910 -9.092 -0.636 79 HA PRO 10 HA PRO 10 -5.962 -8.052 4.065 80 HB2 PRO 10 2HB PRO 10 -3.553 -6.424 3.380 81 HB3 PRO 10 1HB PRO 10 -4.178 -6.907 4.960 82 HG2 PRO 10 2HG PRO 10 -2.061 -8.133 3.920 83 HG3 PRO 10 1HG PRO 10 -3.288 -9.030 4.830 84 HD2 PRO 10 2HD PRO 10 -2.780 -8.964 1.901 85 HD3 PRO 10 1HD PRO 10 -3.402 -10.271 2.924 86 H CYS 11 H CYS 11 -4.737 -6.901 1.015 87 HA CYS 11 HA CYS 11 -6.894 -4.946 0.952 88 HB2 CYS 11 2HB CYS 11 -4.096 -4.612 -0.136 89 HB3 CYS 11 1HB CYS 11 -5.440 -3.534 -0.498 90 H ARG 12 H ARG 12 -8.293 -5.759 -0.403 91 HA ARG 12 HA ARG 12 -7.415 -7.279 -2.725 92 HB2 ARG 12 2HB ARG 12 -9.432 -7.973 -1.445 93 HB3 ARG 12 1HB ARG 12 -10.197 -6.448 -1.867 94 HG2 ARG 12 2HG ARG 12 -10.113 -7.071 -4.237 95 HG3 ARG 12 1HG ARG 12 -9.378 -8.615 -3.798 96 HD2 ARG 12 2HD ARG 12 -11.359 -9.127 -2.431 97 HD3 ARG 12 1HD ARG 12 -12.065 -7.596 -2.946 98 HE ARG 12 HE ARG 12 -11.418 -8.997 -5.235 99 HH11 ARG 12 1HH1 ARG 12 -13.575 -9.314 -2.507 100 HH12 ARG 12 2HH1 ARG 12 -14.755 -10.228 -3.299 101 HH21 ARG 12 1HH2 ARG 12 -12.983 -10.210 -6.403 102 HH22 ARG 12 2HH2 ARG 12 -14.413 -10.763 -5.638 103 H PHE 13 H PHE 13 -8.393 -4.144 -1.815 104 HA PHE 13 HA PHE 13 -8.581 -3.292 -4.603 105 HB2 PHE 13 2HB PHE 13 -9.413 -1.836 -2.075 106 HB3 PHE 13 1HB PHE 13 -9.622 -1.249 -3.720 107 HD1 PHE 13 2HD PHE 13 -11.194 -2.404 -5.252 108 HD2 PHE 13 1HD PHE 13 -10.939 -3.372 -1.120 109 HE1 PHE 13 2HE PHE 13 -13.380 -3.524 -5.378 110 HE2 PHE 13 1HE PHE 13 -13.118 -4.494 -1.243 111 HZ PHE 13 HZ PHE 13 -14.343 -4.572 -3.377 112 H PHE 14 H PHE 14 -7.281 -1.623 -5.305 113 HA PHE 14 HA PHE 14 -5.130 -0.750 -3.561 114 HB2 PHE 14 2HB PHE 14 -4.777 -2.045 -6.251 115 HB3 PHE 14 1HB PHE 14 -3.539 -1.104 -5.432 116 HD1 PHE 14 2HD PHE 14 -2.933 -1.837 -3.094 117 HD2 PHE 14 1HD PHE 14 -4.910 -4.326 -5.892 118 HE1 PHE 14 2HE PHE 14 -2.128 -3.756 -1.901 119 HE2 PHE 14 1HE PHE 14 -4.126 -6.318 -4.686 120 HZ PHE 14 HZ PHE 14 -2.722 -6.058 -2.677 121 H GLU 15 H GLU 15 -4.523 1.263 -3.894 122 HA GLU 15 HA GLU 15 -5.791 2.782 -6.019 123 HB2 GLU 15 2HB GLU 15 -6.132 3.541 -3.705 124 HB3 GLU 15 1HB GLU 15 -4.394 3.640 -3.479 125 HG2 GLU 15 2HG GLU 15 -5.407 5.831 -3.859 126 HG3 GLU 15 1HG GLU 15 -4.244 5.407 -5.115 127 H SER 16 H SER 16 -4.608 3.589 -7.614 128 HA SER 16 HA SER 16 -1.687 3.212 -7.518 129 HB2 SER 16 2HB SER 16 -3.454 3.535 -9.966 130 HB3 SER 16 1HB SER 16 -1.743 3.095 -9.925 131 HG SER 16 HG SER 16 -2.248 1.111 -9.465 132 H HIS 17 H HIS 17 -4.029 5.528 -7.167 133 HA HIS 17 HA HIS 17 -2.659 7.660 -8.622 134 HB2 HIS 17 2HB HIS 17 -5.139 7.820 -6.885 135 HB3 HIS 17 1HB HIS 17 -4.527 9.094 -7.928 136 HD1 HIS 17 1HD HIS 17 -7.387 7.609 -8.067 137 HD2 HIS 17 2HD HIS 17 -4.132 6.979 -10.554 138 HE1 HIS 17 1HE HIS 17 -8.340 6.669 -10.166 139 HE2 HIS 17 2HE HIS 17 -6.295 5.908 -11.408 140 H VAL 18 H VAL 18 -1.886 6.186 -5.932 141 HA VAL 18 HA VAL 18 -1.788 8.188 -3.966 142 HB VAL 18 HB VAL 18 -0.091 5.703 -4.240 143 HG11 VAL 18 1HG1 VAL 18 0.806 7.335 -2.655 144 HG12 VAL 18 2HG1 VAL 18 0.216 5.886 -1.835 145 HG13 VAL 18 3HG1 VAL 18 -0.745 7.360 -1.822 146 HG21 VAL 18 3HG2 VAL 18 -2.716 6.118 -2.815 147 HG22 VAL 18 1HG2 VAL 18 -1.718 4.668 -2.723 148 HG23 VAL 18 2HG2 VAL 18 -2.437 5.141 -4.257 149 H ALA 19 H ALA 19 -0.372 9.767 -3.678 150 HA ALA 19 HA ALA 19 2.098 9.815 -5.279 151 HB1 ALA 19 1HB ALA 19 0.530 11.664 -5.751 152 HB2 ALA 19 2HB ALA 19 2.023 12.247 -5.001 153 HB3 ALA 19 3HB ALA 19 0.565 12.087 -4.031 154 H ARG 20 H ARG 20 4.002 9.879 -4.157 155 HA ARG 20 HA ARG 20 4.061 9.151 -1.446 156 HB2 ARG 20 2HB ARG 20 5.906 8.640 -2.915 157 HB3 ARG 20 1HB ARG 20 6.285 10.323 -3.151 158 HG2 ARG 20 2HG ARG 20 6.839 10.465 -0.706 159 HG3 ARG 20 1HG ARG 20 6.552 8.734 -0.612 160 HD2 ARG 20 2HD ARG 20 8.282 8.307 -2.214 161 HD3 ARG 20 1HD ARG 20 8.552 10.042 -2.433 162 HE ARG 20 HE ARG 20 8.862 9.470 0.254 163 HH11 ARG 20 1HH1 ARG 20 10.458 8.689 -2.798 164 HH12 ARG 20 2HH1 ARG 20 12.000 8.456 -2.130 165 HH21 ARG 20 1HH2 ARG 20 10.933 9.143 1.214 166 HH22 ARG 20 2HH2 ARG 20 12.284 8.685 0.261 167 H ALA 21 H ALA 21 4.216 12.265 -2.965 168 HA ALA 21 HA ALA 21 5.058 13.864 -0.850 169 HB1 ALA 21 1HB ALA 21 4.009 15.707 -2.032 170 HB2 ALA 21 2HB ALA 21 3.094 14.571 -3.024 171 HB3 ALA 21 3HB ALA 21 4.849 14.645 -3.161 172 H ASN 22 H ASN 22 1.958 12.328 -1.356 173 HA ASN 22 HA ASN 22 0.758 14.025 0.727 174 HB2 ASN 22 2HB ASN 22 -0.423 13.374 -1.616 175 HB3 ASN 22 1HB ASN 22 -0.738 11.907 -0.749 176 HD21 ASN 22 1HD2 ASN 22 -1.125 13.145 1.820 177 HD22 ASN 22 2HD2 ASN 22 -2.670 13.948 1.741 178 H VAL 23 H VAL 23 2.276 11.080 0.283 179 HA VAL 23 HA VAL 23 0.807 9.560 2.239 180 HB VAL 23 HB VAL 23 3.538 9.010 1.040 181 HG11 VAL 23 1HG1 VAL 23 3.160 6.703 1.762 182 HG12 VAL 23 2HG1 VAL 23 1.657 7.194 2.543 183 HG13 VAL 23 3HG1 VAL 23 3.202 7.812 3.134 184 HG21 VAL 23 3HG2 VAL 23 1.818 9.079 -0.659 185 HG22 VAL 23 1HG2 VAL 23 0.827 7.967 0.278 186 HG23 VAL 23 2HG2 VAL 23 2.357 7.419 -0.401 187 H LYS 24 H LYS 24 1.017 9.738 4.344 188 HA LYS 24 HA LYS 24 3.114 11.371 5.480 189 HB2 LYS 24 2HB LYS 24 0.700 11.361 6.384 190 HB3 LYS 24 1HB LYS 24 1.021 9.700 6.877 191 HG2 LYS 24 2HG LYS 24 2.501 10.502 8.426 192 HG3 LYS 24 1HG LYS 24 2.456 12.128 7.725 193 HD2 LYS 24 2HD LYS 24 0.012 12.186 8.131 194 HD3 LYS 24 1HD LYS 24 0.169 10.641 8.973 195 HE2 LYS 24 2HE LYS 24 1.775 11.547 10.303 196 HE3 LYS 24 1HE LYS 24 1.593 13.140 9.562 197 HZ1 LYS 24 3HZ LYS 24 -0.746 13.181 10.276 198 HZ2 LYS 24 1HZ LYS 24 0.240 13.089 11.629 199 HZ3 LYS 24 2HZ LYS 24 -0.573 11.714 11.087 200 H ARG 25 H ARG 25 1.946 8.101 5.803 201 HA ARG 25 HA ARG 25 4.652 7.065 6.162 202 HB2 ARG 25 2HB ARG 25 3.718 7.504 8.429 203 HB3 ARG 25 1HB ARG 25 2.362 6.466 8.049 204 HG2 ARG 25 2HG ARG 25 3.869 4.552 7.852 205 HG3 ARG 25 1HG ARG 25 5.245 5.597 8.211 206 HD2 ARG 25 2HD ARG 25 2.912 5.012 10.037 207 HD3 ARG 25 1HD ARG 25 4.561 4.406 10.205 208 HE ARG 25 HE ARG 25 4.651 7.189 10.110 209 HH11 ARG 25 1HH1 ARG 25 3.599 4.638 12.296 210 HH12 ARG 25 2HH1 ARG 25 3.705 5.580 13.710 211 HH21 ARG 25 1HH2 ARG 25 4.830 8.524 12.045 212 HH22 ARG 25 2HH2 ARG 25 4.454 7.870 13.552 213 H LEU 26 H LEU 26 4.786 4.852 5.404 214 HA LEU 26 HA LEU 26 2.293 3.622 4.761 215 HB2 LEU 26 2HB LEU 26 2.732 3.153 2.501 216 HB3 LEU 26 1HB LEU 26 2.886 4.870 2.708 217 HG LEU 26 HG LEU 26 5.208 2.959 2.431 218 HD11 LEU 26 1HD1 LEU 26 5.253 3.854 0.116 219 HD12 LEU 26 2HD1 LEU 26 3.754 4.703 0.479 220 HD13 LEU 26 3HD1 LEU 26 3.779 2.953 0.530 221 HD21 LEU 26 3HD2 LEU 26 5.097 5.960 2.083 222 HD22 LEU 26 1HD2 LEU 26 6.498 4.912 1.920 223 HD23 LEU 26 2HD2 LEU 26 5.778 5.144 3.514 224 H LYS 27 H LYS 27 2.590 1.389 4.100 225 HA LYS 27 HA LYS 27 5.075 0.209 5.069 226 HB2 LYS 27 2HB LYS 27 3.426 0.361 6.971 227 HB3 LYS 27 1HB LYS 27 2.340 -0.562 5.953 228 HG2 LYS 27 2HG LYS 27 3.158 -2.091 7.562 229 HG3 LYS 27 1HG LYS 27 3.981 -2.463 6.057 230 HD2 LYS 27 2HD LYS 27 5.215 -0.670 8.113 231 HD3 LYS 27 1HD LYS 27 5.322 -2.416 8.276 232 HE2 LYS 27 2HE LYS 27 6.345 -0.795 5.927 233 HE3 LYS 27 1HE LYS 27 7.313 -1.352 7.265 234 HZ1 LYS 27 3HZ LYS 27 5.876 -3.238 5.409 235 HZ2 LYS 27 1HZ LYS 27 6.927 -3.648 6.650 236 HZ3 LYS 27 2HZ LYS 27 7.493 -2.814 5.327 237 H ILE 28 H ILE 28 5.583 -1.393 3.707 238 HA ILE 28 HA ILE 28 3.564 -2.533 1.948 239 HB ILE 28 HB ILE 28 6.581 -2.923 2.049 240 HG12 ILE 28 2HG1 ILE 28 4.792 -1.487 0.086 241 HG13 ILE 28 1HG1 ILE 28 6.046 -0.808 1.106 242 HG21 ILE 28 1HG2 ILE 28 4.666 -4.203 0.112 243 HG22 ILE 28 2HG2 ILE 28 5.634 -5.019 1.356 244 HG23 ILE 28 3HG2 ILE 28 6.428 -4.202 0.007 245 HD11 ILE 28 3HD1 ILE 28 6.777 -0.944 -1.203 246 HD12 ILE 28 1HD1 ILE 28 6.467 -2.673 -1.219 247 HD13 ILE 28 2HD1 ILE 28 7.745 -2.023 -0.195 248 H LEU 29 H LEU 29 2.511 -4.266 2.549 249 HA LEU 29 HA LEU 29 3.575 -5.863 4.740 250 HB2 LEU 29 2HB LEU 29 1.217 -4.754 4.733 251 HB3 LEU 29 1HB LEU 29 0.829 -5.959 3.525 252 HG LEU 29 HG LEU 29 1.654 -6.630 6.360 253 HD11 LEU 29 1HD1 LEU 29 -0.713 -7.102 6.736 254 HD12 LEU 29 2HD1 LEU 29 -1.089 -6.484 5.129 255 HD13 LEU 29 3HD1 LEU 29 -0.430 -5.403 6.357 256 HD21 LEU 29 3HD2 LEU 29 0.745 -8.832 5.857 257 HD22 LEU 29 1HD2 LEU 29 2.030 -8.432 4.708 258 HD23 LEU 29 2HD2 LEU 29 0.335 -8.290 4.232 259 H ASN 30 H ASN 30 4.651 -7.537 4.078 260 HA ASN 30 HA ASN 30 4.315 -8.684 1.388 261 HB2 ASN 30 2HB ASN 30 6.361 -9.231 3.550 262 HB3 ASN 30 1HB ASN 30 6.378 -9.937 1.951 263 HD21 ASN 30 1HD2 ASN 30 7.053 -8.679 0.229 264 HD22 ASN 30 2HD2 ASN 30 7.855 -7.167 0.445 265 H THR 31 H THR 31 2.687 -10.019 1.312 266 HA THR 31 HA THR 31 2.351 -12.022 3.387 267 HB THR 31 HB THR 31 0.415 -12.623 1.829 268 HG1 THR 31 1HG THR 31 1.592 -11.207 0.222 269 HG21 THR 31 3HG2 THR 31 0.527 -9.902 3.126 270 HG22 THR 31 1HG2 THR 31 0.102 -11.408 3.945 271 HG23 THR 31 2HG2 THR 31 -0.949 -10.752 2.689 272 HA PRO 32 HA PRO 32 4.313 -15.017 0.617 273 HB2 PRO 32 2HB PRO 32 3.115 -17.215 2.064 274 HB3 PRO 32 1HB PRO 32 4.787 -16.659 2.126 275 HG2 PRO 32 2HG PRO 32 3.001 -16.439 4.214 276 HG3 PRO 32 1HG PRO 32 4.423 -15.403 4.004 277 HD2 PRO 32 2HD PRO 32 1.551 -14.854 3.395 278 HD3 PRO 32 1HD PRO 32 2.817 -13.779 4.038 279 H ASN 33 H ASN 33 0.998 -15.606 1.599 280 HA ASN 33 HA ASN 33 0.254 -17.229 -0.643 281 HB2 ASN 33 2HB ASN 33 -2.083 -16.928 0.174 282 HB3 ASN 33 1HB ASN 33 -0.985 -17.421 1.458 283 HD21 ASN 33 1HD2 ASN 33 -2.976 -14.875 0.211 284 HD22 ASN 33 2HD2 ASN 33 -2.867 -13.856 1.577 285 H CYS 34 H CYS 34 0.097 -13.824 0.011 286 HA CYS 34 HA CYS 34 -0.749 -13.360 -2.752 287 HB2 CYS 34 2HB CYS 34 -0.819 -11.650 -0.263 288 HB3 CYS 34 1HB CYS 34 -1.204 -10.989 -1.833 289 H ALA 35 H ALA 35 0.494 -10.524 -2.289 290 HA ALA 35 HA ALA 35 3.255 -11.364 -2.321 291 HB1 ALA 35 1HB ALA 35 2.014 -9.643 -4.474 292 HB2 ALA 35 2HB ALA 35 2.536 -11.315 -4.672 293 HB3 ALA 35 3HB ALA 35 3.720 -10.055 -4.332 294 H LEU 36 H LEU 36 1.585 -8.330 -3.084 295 HA LEU 36 HA LEU 36 2.878 -7.151 -0.728 296 HB2 LEU 36 2HB LEU 36 2.783 -5.945 -3.478 297 HB3 LEU 36 1HB LEU 36 3.376 -5.153 -2.038 298 HG LEU 36 HG LEU 36 4.623 -7.511 -3.438 299 HD11 LEU 36 1HD1 LEU 36 5.461 -4.645 -3.132 300 HD12 LEU 36 2HD1 LEU 36 4.904 -5.426 -4.617 301 HD13 LEU 36 3HD1 LEU 36 6.432 -5.915 -3.872 302 HD21 LEU 36 3HD2 LEU 36 4.946 -7.666 -1.039 303 HD22 LEU 36 1HD2 LEU 36 5.513 -6.000 -0.996 304 HD23 LEU 36 2HD2 LEU 36 6.459 -7.228 -1.840 305 H GLN 37 H GLN 37 1.439 -6.187 0.468 306 HA GLN 37 HA GLN 37 -0.687 -4.697 -0.876 307 HB2 GLN 37 2HB GLN 37 -0.822 -6.035 1.856 308 HB3 GLN 37 1HB GLN 37 -2.010 -4.891 1.264 309 HG2 GLN 37 2HG GLN 37 -2.919 -7.057 1.018 310 HG3 GLN 37 1HG GLN 37 -2.521 -6.473 -0.587 311 HE21 GLN 37 1HE2 GLN 37 -0.146 -7.749 1.679 312 HE22 GLN 37 2HE2 GLN 37 0.162 -9.194 0.785 313 H ILE 38 H ILE 38 -0.555 -2.594 -0.483 314 HA ILE 38 HA ILE 38 1.354 -1.763 1.606 315 HB ILE 38 HB ILE 38 0.773 -0.373 -0.993 316 HG12 ILE 38 2HG1 ILE 38 3.050 -2.280 -0.404 317 HG13 ILE 38 1HG1 ILE 38 1.677 -2.605 -1.439 318 HG21 ILE 38 1HG2 ILE 38 3.084 -0.175 0.981 319 HG22 ILE 38 2HG2 ILE 38 1.802 1.020 0.784 320 HG23 ILE 38 3HG2 ILE 38 2.962 0.742 -0.521 321 HD11 ILE 38 3HD1 ILE 38 3.730 -0.476 -1.895 322 HD12 ILE 38 1HD1 ILE 38 2.365 -0.835 -2.946 323 HD13 ILE 38 2HD1 ILE 38 3.650 -2.027 -2.725 324 H VAL 39 H VAL 39 0.822 0.316 2.570 325 HA VAL 39 HA VAL 39 -1.914 1.235 2.067 326 HB VAL 39 HB VAL 39 -2.251 1.667 4.500 327 HG11 VAL 39 1HG1 VAL 39 -3.154 -0.373 3.545 328 HG12 VAL 39 2HG1 VAL 39 -2.622 -0.650 5.206 329 HG13 VAL 39 3HG1 VAL 39 -1.635 -1.212 3.857 330 HG21 VAL 39 3HG2 VAL 39 -0.763 0.616 6.165 331 HG22 VAL 39 1HG2 VAL 39 0.092 1.828 5.210 332 HG23 VAL 39 2HG2 VAL 39 0.322 0.115 4.869 333 H ALA 40 H ALA 40 -2.171 3.415 1.967 334 HA ALA 40 HA ALA 40 0.220 5.105 2.479 335 HB1 ALA 40 1HB ALA 40 -1.994 5.499 0.469 336 HB2 ALA 40 2HB ALA 40 -0.391 4.952 0.064 337 HB3 ALA 40 3HB ALA 40 -0.629 6.570 0.711 338 H ARG 41 H ARG 41 -0.198 6.317 4.305 339 HA ARG 41 HA ARG 41 -2.972 7.059 4.607 340 HB2 ARG 41 2HB ARG 41 -2.017 6.023 6.615 341 HB3 ARG 41 1HB ARG 41 -0.778 7.289 6.649 342 HG2 ARG 41 2HG ARG 41 -2.274 8.893 7.254 343 HG3 ARG 41 1HG ARG 41 -3.676 7.940 6.746 344 HD2 ARG 41 2HD ARG 41 -3.522 8.010 9.186 345 HD3 ARG 41 1HD ARG 41 -3.251 6.379 8.588 346 HE ARG 41 HE ARG 41 -0.868 7.948 9.049 347 HH11 ARG 41 1HH1 ARG 41 -3.185 5.673 10.482 348 HH12 ARG 41 2HH1 ARG 41 -2.137 5.104 11.673 349 HH21 ARG 41 1HH2 ARG 41 0.611 7.172 10.711 350 HH22 ARG 41 2HH2 ARG 41 0.083 5.966 11.799 351 H LEU 42 H LEU 42 -3.676 8.781 4.149 352 HA LEU 42 HA LEU 42 -2.253 10.855 2.859 353 HB2 LEU 42 2HB LEU 42 -5.047 10.446 3.799 354 HB3 LEU 42 1HB LEU 42 -4.582 12.011 3.208 355 HG LEU 42 HG LEU 42 -5.791 10.311 1.609 356 HD11 LEU 42 1HD1 LEU 42 -4.582 11.190 -0.320 357 HD12 LEU 42 2HD1 LEU 42 -3.288 11.739 0.744 358 HD13 LEU 42 3HD1 LEU 42 -4.903 12.444 0.874 359 HD21 LEU 42 3HD2 LEU 42 -2.943 9.442 1.325 360 HD22 LEU 42 1HD2 LEU 42 -4.266 8.938 0.282 361 HD23 LEU 42 2HD2 LEU 42 -4.225 8.418 1.987 362 H LYS 43 H LYS 43 -1.230 12.464 3.668 363 HA LYS 43 HA LYS 43 -0.748 13.034 6.325 364 HB2 LYS 43 2HB LYS 43 -0.537 14.906 3.954 365 HB3 LYS 43 1HB LYS 43 0.140 15.247 5.531 366 HG2 LYS 43 2HG LYS 43 1.577 13.397 5.409 367 HG3 LYS 43 1HG LYS 43 0.880 12.925 3.854 368 HD2 LYS 43 2HD LYS 43 1.672 14.876 2.796 369 HD3 LYS 43 1HD LYS 43 2.092 15.626 4.342 370 HE2 LYS 43 2HE LYS 43 3.661 14.066 4.759 371 HE3 LYS 43 1HE LYS 43 3.340 13.100 3.307 372 HZ1 LYS 43 3HZ LYS 43 4.384 15.904 3.368 373 HZ2 LYS 43 1HZ LYS 43 4.000 15.053 1.972 374 HZ3 LYS 43 2HZ LYS 43 5.293 14.548 2.934 375 H ASN 44 H ASN 44 -3.278 14.484 4.303 376 HA ASN 44 HA ASN 44 -4.094 16.030 6.654 377 HB2 ASN 44 2HB ASN 44 -4.701 16.521 3.735 378 HB3 ASN 44 1HB ASN 44 -5.414 17.433 5.049 379 HD21 ASN 44 1HD2 ASN 44 -3.670 18.287 2.859 380 HD22 ASN 44 2HD2 ASN 44 -2.314 19.025 3.615 381 H ASN 45 H ASN 45 -5.335 13.882 4.185 382 HA ASN 45 HA ASN 45 -8.025 13.929 5.122 383 HB2 ASN 45 2HB ASN 45 -7.442 13.281 2.808 384 HB3 ASN 45 1HB ASN 45 -6.607 11.863 3.404 385 HD21 ASN 45 1HD2 ASN 45 -7.885 10.491 2.174 386 HD22 ASN 45 2HD2 ASN 45 -9.515 10.159 2.546 387 H ASN 46 H ASN 46 -5.182 12.101 5.993 388 HA ASN 46 HA ASN 46 -4.629 10.776 7.681 389 HB2 ASN 46 2HB ASN 46 -5.827 12.381 9.137 390 HB3 ASN 46 1HB ASN 46 -7.323 11.497 8.889 391 HD21 ASN 46 1HD2 ASN 46 -4.182 11.449 10.405 392 HD22 ASN 46 2HD2 ASN 46 -4.525 10.197 11.541 393 H ARG 47 H ARG 47 -7.098 10.055 5.708 394 HA ARG 47 HA ARG 47 -7.546 7.364 6.707 395 HB2 ARG 47 2HB ARG 47 -8.369 8.580 4.071 396 HB3 ARG 47 1HB ARG 47 -8.927 7.053 4.731 397 HG2 ARG 47 2HG ARG 47 -10.044 8.253 6.547 398 HG3 ARG 47 1HG ARG 47 -9.485 9.784 5.863 399 HD2 ARG 47 2HD ARG 47 -10.619 9.157 3.748 400 HD3 ARG 47 1HD ARG 47 -11.319 7.779 4.579 401 HE ARG 47 HE ARG 47 -11.938 9.952 6.124 402 HH11 ARG 47 1HH1 ARG 47 -12.638 8.885 2.808 403 HH12 ARG 47 2HH1 ARG 47 -14.100 9.749 2.692 404 HH21 ARG 47 1HH2 ARG 47 -13.996 11.154 5.931 405 HH22 ARG 47 2HH2 ARG 47 -14.871 11.034 4.465 406 H GLN 48 H GLN 48 -6.849 5.521 5.598 407 HA GLN 48 HA GLN 48 -4.552 6.097 3.903 408 HB2 GLN 48 2HB GLN 48 -3.441 4.228 4.735 409 HB3 GLN 48 1HB GLN 48 -4.131 4.969 6.158 410 HG2 GLN 48 2HG GLN 48 -6.072 3.205 5.833 411 HG3 GLN 48 1HG GLN 48 -4.986 2.551 4.695 412 HE21 GLN 48 1HE2 GLN 48 -4.943 0.638 5.907 413 HE22 GLN 48 2HE2 GLN 48 -3.847 0.492 7.236 414 H VAL 49 H VAL 49 -4.354 4.972 2.071 415 HA VAL 49 HA VAL 49 -6.541 3.145 1.435 416 HB VAL 49 HB VAL 49 -6.358 3.857 -0.961 417 HG11 VAL 49 1HG1 VAL 49 -7.530 6.014 -0.726 418 HG12 VAL 49 2HG1 VAL 49 -7.033 6.086 0.963 419 HG13 VAL 49 3HG1 VAL 49 -8.123 4.809 0.410 420 HG21 VAL 49 3HG2 VAL 49 -4.606 6.062 0.139 421 HG22 VAL 49 1HG2 VAL 49 -5.218 5.972 -1.514 422 HG23 VAL 49 2HG2 VAL 49 -4.084 4.756 -0.927 423 H CYS 50 H CYS 50 -5.971 1.318 0.501 424 HA CYS 50 HA CYS 50 -3.331 0.347 0.701 425 HB2 CYS 50 2HB CYS 50 -5.621 -0.696 -0.944 426 HB3 CYS 50 1HB CYS 50 -4.203 -1.620 -0.625 427 H ILE 51 H ILE 51 -1.640 0.429 -0.657 428 HA ILE 51 HA ILE 51 -2.009 1.968 -3.136 429 HB ILE 51 HB ILE 51 0.678 1.092 -2.074 430 HG12 ILE 51 2HG1 ILE 51 -0.817 3.609 -1.348 431 HG13 ILE 51 1HG1 ILE 51 -0.476 2.281 -0.251 432 HG21 ILE 51 1HG2 ILE 51 -0.210 3.364 -3.808 433 HG22 ILE 51 2HG2 ILE 51 0.623 1.904 -4.329 434 HG23 ILE 51 3HG2 ILE 51 1.446 3.071 -3.286 435 HD11 ILE 51 3HD1 ILE 51 1.189 3.970 0.179 436 HD12 ILE 51 1HD1 ILE 51 1.527 4.099 -1.558 437 HD13 ILE 51 2HD1 ILE 51 1.938 2.644 -0.681 438 H ASP 52 H ASP 52 -1.640 1.154 -5.065 439 HA ASP 52 HA ASP 52 -1.406 -1.654 -5.464 440 HB2 ASP 52 2HB ASP 52 -2.674 -0.248 -7.046 441 HB3 ASP 52 1HB ASP 52 -1.239 0.697 -7.376 442 HA PRO 53 HA PRO 53 3.021 -1.621 -4.890 443 HB2 PRO 53 2HB PRO 53 3.534 -4.149 -5.641 444 HB3 PRO 53 1HB PRO 53 2.769 -3.738 -4.100 445 HG2 PRO 53 2HG PRO 53 1.489 -4.656 -6.650 446 HG3 PRO 53 1HG PRO 53 1.157 -5.180 -4.989 447 HD2 PRO 53 2HD PRO 53 -0.402 -3.397 -6.267 448 HD3 PRO 53 1HD PRO 53 -0.107 -3.307 -4.516 449 H LYS 54 H LYS 54 1.630 -1.492 -7.869 450 HA LYS 54 HA LYS 54 4.011 -2.187 -9.347 451 HB2 LYS 54 2HB LYS 54 1.427 -0.974 -10.333 452 HB3 LYS 54 1HB LYS 54 2.751 -1.570 -11.336 453 HG2 LYS 54 2HG LYS 54 1.118 -3.230 -9.460 454 HG3 LYS 54 1HG LYS 54 0.873 -3.098 -11.201 455 HD2 LYS 54 2HD LYS 54 3.057 -4.032 -11.617 456 HD3 LYS 54 1HD LYS 54 3.401 -4.068 -9.883 457 HE2 LYS 54 2HE LYS 54 2.740 -6.259 -10.677 458 HE3 LYS 54 1HE LYS 54 1.569 -5.564 -9.537 459 HZ1 LYS 54 3HZ LYS 54 1.266 -5.606 -12.495 460 HZ2 LYS 54 1HZ LYS 54 0.134 -5.009 -11.397 461 HZ3 LYS 54 2HZ LYS 54 0.505 -6.649 -11.430 462 H LEU 55 H LEU 55 2.729 0.565 -7.781 463 HA LEU 55 HA LEU 55 3.792 2.560 -9.406 464 HB2 LEU 55 2HB LEU 55 3.451 2.598 -6.415 465 HB3 LEU 55 1HB LEU 55 3.819 4.011 -7.384 466 HG LEU 55 HG LEU 55 1.288 2.372 -7.451 467 HD11 LEU 55 1HD1 LEU 55 1.812 5.213 -6.614 468 HD12 LEU 55 2HD1 LEU 55 1.452 3.858 -5.543 469 HD13 LEU 55 3HD1 LEU 55 0.235 4.431 -6.682 470 HD21 LEU 55 3HD2 LEU 55 1.828 3.090 -9.695 471 HD22 LEU 55 1HD2 LEU 55 2.105 4.734 -9.127 472 HD23 LEU 55 2HD2 LEU 55 0.480 4.043 -9.071 473 H LYS 56 H LYS 56 5.610 3.150 -9.914 474 HA LYS 56 HA LYS 56 7.887 1.600 -9.330 475 HB2 LYS 56 2HB LYS 56 7.270 2.621 -11.523 476 HB3 LYS 56 1HB LYS 56 7.652 4.190 -10.873 477 HG2 LYS 56 2HG LYS 56 9.720 2.016 -11.075 478 HG3 LYS 56 1HG LYS 56 9.302 3.032 -12.442 479 HD2 LYS 56 2HD LYS 56 9.936 5.013 -11.076 480 HD3 LYS 56 1HD LYS 56 10.478 3.912 -9.803 481 HE2 LYS 56 2HE LYS 56 12.091 2.901 -11.283 482 HE3 LYS 56 1HE LYS 56 11.472 3.820 -12.646 483 HZ1 LYS 56 3HZ LYS 56 13.524 4.722 -11.801 484 HZ2 LYS 56 1HZ LYS 56 12.863 4.992 -10.272 485 HZ3 LYS 56 2HZ LYS 56 12.281 5.834 -11.619 486 H TRP 57 H TRP 57 6.760 4.668 -8.068 487 HA TRP 57 HA TRP 57 9.283 5.285 -6.873 488 HB2 TRP 57 2HB TRP 57 8.164 7.064 -5.623 489 HB3 TRP 57 1HB TRP 57 7.653 7.110 -7.295 490 HD1 TRP 57 HD TRP 57 5.060 6.803 -7.751 491 HE1 TRP 57 1HE TRP 57 2.990 6.709 -6.209 492 HE3 TRP 57 3HE TRP 57 7.419 6.201 -3.287 493 HZ2 TRP 57 2HZ TRP 57 2.456 6.401 -3.416 494 HZ3 TRP 57 3HZ TRP 57 6.088 6.016 -1.270 495 HH2 TRP 57 HH TRP 57 3.637 6.101 -1.346 496 H ILE 58 H ILE 58 6.548 3.413 -5.925 497 HA ILE 58 HA ILE 58 6.828 3.278 -3.141 498 HB ILE 58 HB ILE 58 5.669 1.471 -5.231 499 HG12 ILE 58 2HG1 ILE 58 4.498 3.546 -4.484 500 HG13 ILE 58 1HG1 ILE 58 3.519 2.122 -4.261 501 HG21 ILE 58 1HG2 ILE 58 5.691 0.767 -2.308 502 HG22 ILE 58 2HG2 ILE 58 6.537 -0.074 -3.608 503 HG23 ILE 58 3HG2 ILE 58 4.773 -0.047 -3.585 504 HD11 ILE 58 3HD1 ILE 58 5.079 3.550 -2.163 505 HD12 ILE 58 1HD1 ILE 58 4.148 2.068 -1.930 506 HD13 ILE 58 2HD1 ILE 58 3.337 3.556 -2.414 507 H GLN 59 H GLN 59 7.984 1.132 -5.619 508 HA GLN 59 HA GLN 59 9.295 -0.602 -3.821 509 HB2 GLN 59 2HB GLN 59 10.177 -1.632 -5.933 510 HB3 GLN 59 1HB GLN 59 8.427 -1.443 -5.831 511 HG2 GLN 59 2HG GLN 59 8.682 0.652 -7.200 512 HG3 GLN 59 1HG GLN 59 10.360 0.190 -7.441 513 HE21 GLN 59 1HE2 GLN 59 7.813 -2.145 -7.196 514 HE22 GLN 59 2HE2 GLN 59 7.795 -2.643 -8.806 515 H GLU 60 H GLU 60 10.198 2.177 -5.621 516 HA GLU 60 HA GLU 60 13.018 1.835 -5.417 517 HB2 GLU 60 2HB GLU 60 11.987 3.015 -7.267 518 HB3 GLU 60 1HB GLU 60 11.260 4.155 -6.164 519 HG2 GLU 60 2HG GLU 60 13.500 5.016 -5.630 520 HG3 GLU 60 1HG GLU 60 14.184 3.881 -6.795 521 H TYR 61 H TYR 61 10.697 2.770 -3.319 522 HA TYR 61 HA TYR 61 12.554 4.312 -1.670 523 HB2 TYR 61 2HB TYR 61 10.611 5.613 -2.226 524 HB3 TYR 61 1HB TYR 61 9.539 4.277 -1.898 525 HD1 TYR 61 2HD TYR 61 12.145 4.971 0.584 526 HD2 TYR 61 1HD TYR 61 8.176 5.861 -0.644 527 HE1 TYR 61 2HE TYR 61 11.661 5.921 2.815 528 HE2 TYR 61 1HE TYR 61 7.676 6.789 1.541 529 HH TYR 61 HH TYR 61 10.093 7.483 3.820 530 H LEU 62 H LEU 62 9.770 2.227 -1.272 531 HA LEU 62 HA LEU 62 10.573 1.351 1.278 532 HB2 LEU 62 2HB LEU 62 8.513 0.484 -0.630 533 HB3 LEU 62 1HB LEU 62 8.688 -0.387 0.847 534 HG LEU 62 HG LEU 62 6.895 1.099 1.177 535 HD11 LEU 62 1HD1 LEU 62 8.392 1.176 3.053 536 HD12 LEU 62 2HD1 LEU 62 7.574 2.722 2.830 537 HD13 LEU 62 3HD1 LEU 62 9.258 2.533 2.340 538 HD21 LEU 62 3HD2 LEU 62 8.566 3.223 -0.119 539 HD22 LEU 62 1HD2 LEU 62 7.023 3.500 0.651 540 HD23 LEU 62 2HD2 LEU 62 7.114 2.459 -0.783 541 H GLU 63 H GLU 63 11.344 0.116 -1.867 542 HA GLU 63 HA GLU 63 12.091 -2.274 -0.427 543 HB2 GLU 63 2HB GLU 63 11.408 -2.076 -3.343 544 HB3 GLU 63 1HB GLU 63 12.054 -3.526 -2.577 545 HG2 GLU 63 2HG GLU 63 10.120 -3.517 -1.036 546 HG3 GLU 63 1HG GLU 63 9.457 -2.155 -1.933 547 H LYS 64 H LYS 64 13.200 0.247 -2.354 548 HA LYS 64 HA LYS 64 15.685 -1.067 -2.772 549 HB2 LYS 64 2HB LYS 64 14.754 0.417 -4.540 550 HB3 LYS 64 1HB LYS 64 14.850 1.779 -3.454 551 HG2 LYS 64 2HG LYS 64 17.258 0.258 -4.483 552 HG3 LYS 64 1HG LYS 64 16.607 1.702 -5.243 553 HD2 LYS 64 2HD LYS 64 17.073 2.984 -3.209 554 HD3 LYS 64 1HD LYS 64 17.670 1.521 -2.427 555 HE2 LYS 64 2HE LYS 64 19.429 1.362 -4.161 556 HE3 LYS 64 1HE LYS 64 18.846 2.867 -4.858 557 HZ1 LYS 64 3HZ LYS 64 19.948 2.536 -2.121 558 HZ2 LYS 64 1HZ LYS 64 19.380 3.990 -2.745 559 HZ3 LYS 64 2HZ LYS 64 20.744 3.244 -3.392 560 H ALA 65 H ALA 65 14.338 1.492 -0.774 561 HA ALA 65 HA ALA 65 16.955 1.893 0.444 562 HB1 ALA 65 1HB ALA 65 15.644 3.876 -0.117 563 HB2 ALA 65 2HB ALA 65 15.933 3.763 1.625 564 HB3 ALA 65 3HB ALA 65 14.358 3.326 0.962 565 H LEU 66 H LEU 66 13.742 0.781 1.317 566 HA LEU 66 HA LEU 66 14.680 0.262 4.006 567 HB2 LEU 66 2HB LEU 66 11.929 -0.002 2.832 568 HB3 LEU 66 1HB LEU 66 12.317 -0.576 4.425 569 HG LEU 66 HG LEU 66 11.222 1.556 4.615 570 HD11 LEU 66 1HD1 LEU 66 12.833 2.830 5.884 571 HD12 LEU 66 2HD1 LEU 66 14.145 1.867 5.218 572 HD13 LEU 66 3HD1 LEU 66 12.924 1.105 6.242 573 HD21 LEU 66 3HD2 LEU 66 12.181 3.635 3.708 574 HD22 LEU 66 1HD2 LEU 66 11.712 2.524 2.421 575 HD23 LEU 66 2HD2 LEU 66 13.406 2.690 2.868 576 H ASN 67 H ASN 67 13.785 -1.660 1.205 577 HA ASN 67 HA ASN 67 13.886 -4.091 2.806 578 HB2 ASN 67 2HB ASN 67 12.323 -3.718 0.807 579 HB3 ASN 67 1HB ASN 67 13.741 -3.935 -0.187 580 HD21 ASN 67 1HD2 ASN 67 11.543 -5.449 1.951 581 HD22 ASN 67 2HD2 ASN 67 11.931 -7.088 1.576 582 H LYS 68 H LYS 68 15.811 -2.399 0.476 583 HA LYS 68 HA LYS 68 17.842 -2.597 -0.351 584 HB2 LYS 68 2HB LYS 68 19.690 -2.727 1.370 585 HB3 LYS 68 1HB LYS 68 18.400 -1.616 1.750 586 HG2 LYS 68 2HG LYS 68 17.490 -3.210 3.348 587 HG3 LYS 68 1HG LYS 68 18.765 -4.353 2.933 588 HD2 LYS 68 2HD LYS 68 19.225 -1.591 3.970 589 HD3 LYS 68 1HD LYS 68 19.231 -3.028 5.015 590 HE2 LYS 68 2HE LYS 68 21.119 -2.360 2.734 591 HE3 LYS 68 1HE LYS 68 21.491 -2.339 4.446 592 HZ1 LYS 68 3HZ LYS 68 21.128 -4.731 4.525 593 HZ2 LYS 68 1HZ LYS 68 22.318 -4.313 3.411 594 HZ3 LYS 68 2HZ LYS 68 20.800 -4.764 2.860 Start of MODEL 19 1 H1 LYS 1 1HT LYS 1 -12.978 -14.959 -11.306 2 H2 LYS 1 2HT LYS 1 -14.526 -14.872 -11.977 3 H3 LYS 1 3HT LYS 1 -14.245 -15.687 -10.510 4 HA LYS 1 HA LYS 1 -13.803 -12.814 -10.897 5 HB2 LYS 1 2HB LYS 1 -15.744 -12.474 -9.450 6 HB3 LYS 1 1HB LYS 1 -16.235 -13.370 -10.880 7 HG2 LYS 1 2HG LYS 1 -16.296 -15.423 -9.603 8 HG3 LYS 1 1HG LYS 1 -15.682 -14.589 -8.169 9 HD2 LYS 1 2HD LYS 1 -17.716 -13.197 -8.172 10 HD3 LYS 1 1HD LYS 1 -18.305 -14.088 -9.575 11 HE2 LYS 1 2HE LYS 1 -17.689 -15.283 -6.867 12 HE3 LYS 1 1HE LYS 1 -19.300 -14.902 -7.465 13 HZ1 LYS 1 2HZ LYS 1 -18.836 -17.225 -7.755 14 HZ2 LYS 1 3HZ LYS 1 -17.443 -16.935 -8.635 15 HZ3 LYS 1 1HZ LYS 1 -18.954 -16.525 -9.255 16 HA PRO 2 HA PRO 2 -11.606 -13.506 -7.074 17 HB2 PRO 2 2HB PRO 2 -11.950 -10.864 -6.061 18 HB3 PRO 2 1HB PRO 2 -10.578 -11.465 -6.993 19 HG2 PRO 2 2HG PRO 2 -12.416 -9.555 -7.863 20 HG3 PRO 2 1HG PRO 2 -11.312 -10.468 -8.895 21 HD2 PRO 2 2HD PRO 2 -14.203 -10.924 -8.343 22 HD3 PRO 2 1HD PRO 2 -13.295 -11.182 -9.843 23 H VAL 3 H VAL 3 -12.845 -14.818 -5.800 24 HA VAL 3 HA VAL 3 -15.362 -14.068 -4.776 25 HB VAL 3 HB VAL 3 -13.529 -16.254 -3.718 26 HG11 VAL 3 1HG1 VAL 3 -15.583 -17.280 -2.875 27 HG12 VAL 3 2HG1 VAL 3 -16.523 -15.929 -3.509 28 HG13 VAL 3 3HG1 VAL 3 -15.373 -15.661 -2.204 29 HG21 VAL 3 3HG2 VAL 3 -15.670 -16.401 -5.841 30 HG22 VAL 3 1HG2 VAL 3 -14.795 -17.776 -5.171 31 HG23 VAL 3 2HG2 VAL 3 -13.934 -16.557 -6.106 32 H SER 4 H SER 4 -15.648 -12.542 -3.416 33 HA SER 4 HA SER 4 -13.487 -11.754 -1.648 34 HB2 SER 4 2HB SER 4 -15.985 -10.308 -2.513 35 HB3 SER 4 1HB SER 4 -14.712 -9.635 -1.487 36 HG SER 4 HG SER 4 -14.223 -10.697 -4.071 37 H LEU 5 H LEU 5 -15.777 -13.878 -1.376 38 HA LEU 5 HA LEU 5 -17.248 -13.297 0.949 39 HB2 LEU 5 2HB LEU 5 -17.664 -15.267 -0.476 40 HB3 LEU 5 1HB LEU 5 -16.109 -15.926 -0.023 41 HG LEU 5 HG LEU 5 -16.885 -16.189 2.282 42 HD11 LEU 5 1HD1 LEU 5 -19.265 -15.924 2.803 43 HD12 LEU 5 2HD1 LEU 5 -19.530 -15.218 1.205 44 HD13 LEU 5 3HD1 LEU 5 -18.506 -14.394 2.377 45 HD21 LEU 5 3HD2 LEU 5 -18.456 -18.029 1.840 46 HD22 LEU 5 1HD2 LEU 5 -17.090 -18.039 0.728 47 HD23 LEU 5 2HD2 LEU 5 -18.658 -17.442 0.189 48 H SER 6 H SER 6 -14.142 -14.869 0.483 49 HA SER 6 HA SER 6 -13.249 -13.773 2.997 50 HB2 SER 6 2HB SER 6 -11.905 -15.905 3.299 51 HB3 SER 6 1HB SER 6 -13.647 -16.116 3.499 52 HG SER 6 HG SER 6 -12.536 -17.704 2.191 53 H TYR 7 H TYR 7 -11.745 -12.351 2.413 54 HA TYR 7 HA TYR 7 -10.602 -12.715 -0.168 55 HB2 TYR 7 2HB TYR 7 -9.551 -10.465 0.146 56 HB3 TYR 7 1HB TYR 7 -11.299 -10.516 0.149 57 HD1 TYR 7 2HD TYR 7 -8.328 -10.174 2.324 58 HD2 TYR 7 1HD TYR 7 -12.518 -9.600 1.979 59 HE1 TYR 7 2HE TYR 7 -8.302 -8.819 4.371 60 HE2 TYR 7 1HE TYR 7 -12.507 -8.231 4.025 61 HH TYR 7 HH TYR 7 -11.094 -7.901 6.043 62 H ARG 8 H ARG 8 -8.806 -13.351 -0.742 63 HA ARG 8 HA ARG 8 -7.170 -14.552 1.243 64 HB2 ARG 8 2HB ARG 8 -5.865 -15.475 -0.704 65 HB3 ARG 8 1HB ARG 8 -7.554 -15.931 -0.650 66 HG2 ARG 8 2HG ARG 8 -7.196 -15.448 -2.932 67 HG3 ARG 8 1HG ARG 8 -7.898 -13.968 -2.269 68 HD2 ARG 8 2HD ARG 8 -6.099 -13.455 -3.763 69 HD3 ARG 8 1HD ARG 8 -5.714 -12.985 -2.109 70 HE ARG 8 HE ARG 8 -4.516 -15.257 -2.093 71 HH11 ARG 8 1HH1 ARG 8 -4.662 -13.072 -4.906 72 HH12 ARG 8 2HH1 ARG 8 -3.136 -13.550 -5.498 73 HH21 ARG 8 1HH2 ARG 8 -2.399 -15.859 -2.964 74 HH22 ARG 8 2HH2 ARG 8 -1.868 -15.120 -4.406 75 H CYS 9 H CYS 9 -7.017 -11.817 -0.583 76 HA CYS 9 HA CYS 9 -4.378 -11.222 0.576 77 HB2 CYS 9 2HB CYS 9 -5.769 -10.048 -1.839 78 HB3 CYS 9 1HB CYS 9 -4.341 -9.331 -1.127 79 HA PRO 10 HA PRO 10 -6.345 -8.533 3.512 80 HB2 PRO 10 2HB PRO 10 -3.934 -6.862 2.932 81 HB3 PRO 10 1HB PRO 10 -4.624 -7.340 4.490 82 HG2 PRO 10 2HG PRO 10 -2.486 -8.604 3.626 83 HG3 PRO 10 1HG PRO 10 -3.826 -9.530 4.318 84 HD2 PRO 10 2HD PRO 10 -3.066 -9.165 1.454 85 HD3 PRO 10 1HD PRO 10 -3.638 -10.615 2.313 86 H CYS 11 H CYS 11 -4.808 -6.942 0.762 87 HA CYS 11 HA CYS 11 -6.951 -4.978 0.810 88 HB2 CYS 11 2HB CYS 11 -4.269 -4.900 -0.565 89 HB3 CYS 11 1HB CYS 11 -5.492 -3.656 -0.747 90 H ARG 12 H ARG 12 -8.598 -5.631 -0.311 91 HA ARG 12 HA ARG 12 -8.396 -7.176 -2.738 92 HB2 ARG 12 2HB ARG 12 -10.728 -5.690 -1.509 93 HB3 ARG 12 1HB ARG 12 -10.840 -6.687 -2.944 94 HG2 ARG 12 2HG ARG 12 -10.202 -8.639 -1.617 95 HG3 ARG 12 1HG ARG 12 -10.111 -7.615 -0.180 96 HD2 ARG 12 2HD ARG 12 -12.589 -7.953 -1.872 97 HD3 ARG 12 1HD ARG 12 -12.273 -8.861 -0.399 98 HE ARG 12 HE ARG 12 -12.062 -6.342 0.468 99 HH11 ARG 12 1HH1 ARG 12 -14.566 -7.772 -1.600 100 HH12 ARG 12 2HH1 ARG 12 -15.830 -6.878 -0.885 101 HH21 ARG 12 1HH2 ARG 12 -13.783 -5.119 1.380 102 HH22 ARG 12 2HH2 ARG 12 -15.387 -5.322 0.822 103 H PHE 13 H PHE 13 -8.624 -3.894 -1.778 104 HA PHE 13 HA PHE 13 -8.856 -3.032 -4.563 105 HB2 PHE 13 2HB PHE 13 -9.585 -1.528 -2.041 106 HB3 PHE 13 1HB PHE 13 -9.841 -0.975 -3.693 107 HD1 PHE 13 2HD PHE 13 -11.404 -2.382 -5.175 108 HD2 PHE 13 1HD PHE 13 -11.225 -2.762 -0.940 109 HE1 PHE 13 2HE PHE 13 -13.624 -3.450 -5.172 110 HE2 PHE 13 1HE PHE 13 -13.434 -3.831 -0.933 111 HZ PHE 13 HZ PHE 13 -14.638 -4.176 -3.054 112 H PHE 14 H PHE 14 -7.580 -1.209 -5.134 113 HA PHE 14 HA PHE 14 -5.301 -0.598 -3.438 114 HB2 PHE 14 2HB PHE 14 -5.096 -1.714 -6.230 115 HB3 PHE 14 1HB PHE 14 -3.788 -0.872 -5.414 116 HD1 PHE 14 2HD PHE 14 -3.018 -1.790 -3.218 117 HD2 PHE 14 1HD PHE 14 -5.385 -4.007 -5.942 118 HE1 PHE 14 2HE PHE 14 -2.254 -3.818 -2.177 119 HE2 PHE 14 1HE PHE 14 -4.645 -6.100 -4.889 120 HZ PHE 14 HZ PHE 14 -3.073 -6.033 -3.001 121 H GLU 15 H GLU 15 -4.513 1.446 -3.776 122 HA GLU 15 HA GLU 15 -5.716 2.901 -5.965 123 HB2 GLU 15 2HB GLU 15 -6.416 3.671 -3.704 124 HB3 GLU 15 1HB GLU 15 -4.762 4.028 -3.319 125 HG2 GLU 15 2HG GLU 15 -6.020 6.030 -4.043 126 HG3 GLU 15 1HG GLU 15 -4.617 5.685 -5.062 127 H SER 16 H SER 16 -4.401 3.756 -7.415 128 HA SER 16 HA SER 16 -1.532 3.419 -7.030 129 HB2 SER 16 2HB SER 16 -1.584 3.577 -9.539 130 HB3 SER 16 1HB SER 16 -2.425 2.171 -8.853 131 HG SER 16 HG SER 16 -3.876 2.936 -10.172 132 H HIS 17 H HIS 17 -3.999 5.695 -7.118 133 HA HIS 17 HA HIS 17 -2.477 7.787 -8.401 134 HB2 HIS 17 2HB HIS 17 -5.232 7.794 -7.166 135 HB3 HIS 17 1HB HIS 17 -4.482 9.209 -7.879 136 HD1 HIS 17 1HD HIS 17 -5.078 9.596 -10.238 137 HD2 HIS 17 2HD HIS 17 -5.375 5.619 -9.163 138 HE1 HIS 17 1HE HIS 17 -6.041 8.459 -12.240 139 HE2 HIS 17 2HE HIS 17 -6.500 6.119 -11.453 140 H VAL 18 H VAL 18 -2.154 6.503 -5.467 141 HA VAL 18 HA VAL 18 -2.179 8.801 -3.800 142 HB VAL 18 HB VAL 18 -0.672 6.209 -3.382 143 HG11 VAL 18 1HG1 VAL 18 0.048 7.993 -1.924 144 HG12 VAL 18 2HG1 VAL 18 -0.828 6.761 -1.013 145 HG13 VAL 18 3HG1 VAL 18 -1.618 8.282 -1.425 146 HG21 VAL 18 3HG2 VAL 18 -3.481 6.923 -2.551 147 HG22 VAL 18 1HG2 VAL 18 -2.601 5.478 -2.057 148 HG23 VAL 18 2HG2 VAL 18 -3.015 5.720 -3.755 149 H ALA 19 H ALA 19 -0.583 10.251 -3.473 150 HA ALA 19 HA ALA 19 1.897 9.956 -5.026 151 HB1 ALA 19 1HB ALA 19 0.554 11.963 -5.482 152 HB2 ALA 19 2HB ALA 19 2.118 12.378 -4.762 153 HB3 ALA 19 3HB ALA 19 0.658 12.401 -3.776 154 H ARG 20 H ARG 20 3.881 9.985 -4.009 155 HA ARG 20 HA ARG 20 4.042 9.144 -1.361 156 HB2 ARG 20 2HB ARG 20 5.826 8.676 -2.893 157 HB3 ARG 20 1HB ARG 20 6.178 10.383 -3.094 158 HG2 ARG 20 2HG ARG 20 6.852 10.486 -0.710 159 HG3 ARG 20 1HG ARG 20 6.531 8.767 -0.587 160 HD2 ARG 20 2HD ARG 20 8.269 8.256 -2.126 161 HD3 ARG 20 1HD ARG 20 8.462 9.956 -2.564 162 HE ARG 20 HE ARG 20 8.859 9.793 0.137 163 HH11 ARG 20 1HH1 ARG 20 10.428 8.396 -2.725 164 HH12 ARG 20 2HH1 ARG 20 11.989 8.459 -2.065 165 HH21 ARG 20 1HH2 ARG 20 11.001 9.893 1.021 166 HH22 ARG 20 2HH2 ARG 20 12.321 9.317 0.101 167 H ALA 21 H ALA 21 4.282 12.383 -2.674 168 HA ALA 21 HA ALA 21 5.246 13.676 -0.361 169 HB1 ALA 21 1HB ALA 21 4.476 15.747 -1.422 170 HB2 ALA 21 2HB ALA 21 3.537 14.805 -2.577 171 HB3 ALA 21 3HB ALA 21 5.297 14.705 -2.586 172 H ASN 22 H ASN 22 2.149 12.477 -1.200 173 HA ASN 22 HA ASN 22 0.720 14.050 0.805 174 HB2 ASN 22 2HB ASN 22 -0.257 13.683 -1.453 175 HB3 ASN 22 1HB ASN 22 -0.227 11.955 -1.162 176 HD21 ASN 22 1HD2 ASN 22 -1.194 14.452 1.161 177 HD22 ASN 22 2HD2 ASN 22 -2.856 13.940 1.211 178 H VAL 23 H VAL 23 2.360 11.120 0.476 179 HA VAL 23 HA VAL 23 0.769 9.584 2.325 180 HB VAL 23 HB VAL 23 3.538 9.007 1.196 181 HG11 VAL 23 1HG1 VAL 23 3.139 6.725 1.928 182 HG12 VAL 23 2HG1 VAL 23 1.623 7.215 2.684 183 HG13 VAL 23 3HG1 VAL 23 3.157 7.837 3.302 184 HG21 VAL 23 3HG2 VAL 23 1.796 9.076 -0.523 185 HG22 VAL 23 1HG2 VAL 23 0.828 7.950 0.417 186 HG23 VAL 23 2HG2 VAL 23 2.371 7.431 -0.257 187 H LYS 24 H LYS 24 0.869 9.716 4.454 188 HA LYS 24 HA LYS 24 2.818 11.375 5.763 189 HB2 LYS 24 2HB LYS 24 0.424 11.180 6.621 190 HB3 LYS 24 1HB LYS 24 0.794 9.494 7.025 191 HG2 LYS 24 2HG LYS 24 2.301 10.330 8.594 192 HG3 LYS 24 1HG LYS 24 2.025 11.980 8.020 193 HD2 LYS 24 2HD LYS 24 -0.408 11.655 8.486 194 HD3 LYS 24 1HD LYS 24 0.029 10.127 9.268 195 HE2 LYS 24 2HE LYS 24 1.605 11.293 10.519 196 HE3 LYS 24 1HE LYS 24 1.021 12.827 9.892 197 HZ1 LYS 24 3HZ LYS 24 -1.212 12.325 10.819 198 HZ2 LYS 24 1HZ LYS 24 -0.084 12.438 12.057 199 HZ3 LYS 24 2HZ LYS 24 -0.633 10.934 11.537 200 H ARG 25 H ARG 25 1.896 8.012 6.018 201 HA ARG 25 HA ARG 25 4.667 7.190 6.217 202 HB2 ARG 25 2HB ARG 25 3.878 7.613 8.566 203 HB3 ARG 25 1HB ARG 25 2.616 6.419 8.317 204 HG2 ARG 25 2HG ARG 25 4.386 4.713 7.916 205 HG3 ARG 25 1HG ARG 25 5.595 5.928 8.326 206 HD2 ARG 25 2HD ARG 25 5.155 4.570 10.270 207 HD3 ARG 25 1HD ARG 25 4.506 6.189 10.543 208 HE ARG 25 HE ARG 25 2.604 4.353 9.441 209 HH11 ARG 25 1HH1 ARG 25 3.980 5.531 12.487 210 HH12 ARG 25 2HH1 ARG 25 2.665 5.047 13.435 211 HH21 ARG 25 1HH2 ARG 25 0.842 3.659 10.705 212 HH22 ARG 25 2HH2 ARG 25 0.805 3.902 12.393 213 H LEU 26 H LEU 26 4.878 5.047 5.365 214 HA LEU 26 HA LEU 26 2.397 3.611 4.930 215 HB2 LEU 26 2HB LEU 26 2.661 3.247 2.629 216 HB3 LEU 26 1HB LEU 26 2.784 4.963 2.846 217 HG LEU 26 HG LEU 26 5.069 3.070 2.304 218 HD11 LEU 26 1HD1 LEU 26 5.014 4.168 0.093 219 HD12 LEU 26 2HD1 LEU 26 3.558 5.012 0.624 220 HD13 LEU 26 3HD1 LEU 26 3.565 3.247 0.513 221 HD21 LEU 26 3HD2 LEU 26 5.059 6.097 2.288 222 HD22 LEU 26 1HD2 LEU 26 6.395 5.032 1.859 223 HD23 LEU 26 2HD2 LEU 26 5.830 5.085 3.530 224 H LYS 27 H LYS 27 2.719 1.407 4.237 225 HA LYS 27 HA LYS 27 5.374 0.307 4.718 226 HB2 LYS 27 2HB LYS 27 2.884 -0.517 6.204 227 HB3 LYS 27 1HB LYS 27 4.323 -1.518 6.097 228 HG2 LYS 27 2HG LYS 27 5.586 0.114 7.266 229 HG3 LYS 27 1HG LYS 27 4.231 1.241 7.197 230 HD2 LYS 27 2HD LYS 27 2.889 -0.315 8.567 231 HD3 LYS 27 1HD LYS 27 4.249 -1.435 8.616 232 HE2 LYS 27 2HE LYS 27 4.293 1.371 9.671 233 HE3 LYS 27 1HE LYS 27 4.001 -0.056 10.671 234 HZ1 LYS 27 3HZ LYS 27 6.204 -0.859 10.056 235 HZ2 LYS 27 1HZ LYS 27 6.306 0.652 10.787 236 HZ3 LYS 27 2HZ LYS 27 6.487 0.505 9.119 237 H ILE 28 H ILE 28 5.700 -1.576 3.810 238 HA ILE 28 HA ILE 28 3.628 -2.647 1.993 239 HB ILE 28 HB ILE 28 6.650 -2.935 1.811 240 HG12 ILE 28 2HG1 ILE 28 4.687 -1.422 0.071 241 HG13 ILE 28 1HG1 ILE 28 6.005 -0.769 1.026 242 HG21 ILE 28 1HG2 ILE 28 4.541 -4.121 0.022 243 HG22 ILE 28 2HG2 ILE 28 5.626 -4.998 1.110 244 HG23 ILE 28 3HG2 ILE 28 6.278 -4.135 -0.289 245 HD11 ILE 28 3HD1 ILE 28 6.560 -0.793 -1.332 246 HD12 ILE 28 1HD1 ILE 28 6.291 -2.534 -1.395 247 HD13 ILE 28 2HD1 ILE 28 7.620 -1.879 -0.435 248 H LEU 29 H LEU 29 2.817 -4.563 2.605 249 HA LEU 29 HA LEU 29 4.504 -6.118 4.402 250 HB2 LEU 29 2HB LEU 29 2.466 -5.085 5.468 251 HB3 LEU 29 1HB LEU 29 1.473 -6.050 4.411 252 HG LEU 29 HG LEU 29 3.349 -7.211 6.495 253 HD11 LEU 29 1HD1 LEU 29 1.351 -7.601 7.839 254 HD12 LEU 29 2HD1 LEU 29 0.388 -6.727 6.649 255 HD13 LEU 29 3HD1 LEU 29 1.633 -5.881 7.567 256 HD21 LEU 29 3HD2 LEU 29 1.058 -8.469 4.982 257 HD22 LEU 29 1HD2 LEU 29 2.040 -9.256 6.217 258 HD23 LEU 29 2HD2 LEU 29 2.770 -8.775 4.683 259 H ASN 30 H ASN 30 5.201 -7.840 3.570 260 HA ASN 30 HA ASN 30 4.170 -8.941 1.056 261 HB2 ASN 30 2HB ASN 30 6.543 -9.775 2.750 262 HB3 ASN 30 1HB ASN 30 6.176 -10.343 1.132 263 HD21 ASN 30 1HD2 ASN 30 6.730 -9.058 -0.612 264 HD22 ASN 30 2HD2 ASN 30 7.683 -7.626 -0.438 265 H THR 31 H THR 31 2.323 -10.003 1.558 266 HA THR 31 HA THR 31 2.229 -11.915 3.685 267 HB THR 31 HB THR 31 0.094 -12.575 2.408 268 HG1 THR 31 1HG THR 31 1.206 -11.302 0.568 269 HG21 THR 31 3HG2 THR 31 0.407 -9.711 3.346 270 HG22 THR 31 1HG2 THR 31 0.077 -11.095 4.391 271 HG23 THR 31 2HG2 THR 31 -1.118 -10.585 3.196 272 HA PRO 32 HA PRO 32 4.328 -15.057 1.341 273 HB2 PRO 32 2HB PRO 32 3.559 -17.266 2.730 274 HB3 PRO 32 1HB PRO 32 4.749 -16.117 3.345 275 HG2 PRO 32 2HG PRO 32 1.834 -16.345 3.986 276 HG3 PRO 32 1HG PRO 32 3.195 -16.056 5.084 277 HD2 PRO 32 2HD PRO 32 1.576 -14.067 4.223 278 HD3 PRO 32 1HD PRO 32 3.301 -13.810 4.564 279 H ASN 33 H ASN 33 0.932 -15.247 1.926 280 HA ASN 33 HA ASN 33 0.445 -17.349 0.003 281 HB2 ASN 33 2HB ASN 33 -1.898 -17.069 0.668 282 HB3 ASN 33 1HB ASN 33 -0.860 -17.185 2.085 283 HD21 ASN 33 1HD2 ASN 33 -2.917 -15.200 0.255 284 HD22 ASN 33 2HD2 ASN 33 -2.939 -13.844 1.309 285 H CYS 34 H CYS 34 0.226 -13.826 0.143 286 HA CYS 34 HA CYS 34 -0.610 -13.719 -2.671 287 HB2 CYS 34 2HB CYS 34 -0.655 -11.725 -0.399 288 HB3 CYS 34 1HB CYS 34 -1.030 -11.222 -2.016 289 H ALA 35 H ALA 35 0.545 -10.924 -2.706 290 HA ALA 35 HA ALA 35 3.340 -11.730 -2.873 291 HB1 ALA 35 1HB ALA 35 1.917 -9.550 -4.424 292 HB2 ALA 35 2HB ALA 35 2.360 -11.135 -5.055 293 HB3 ALA 35 3HB ALA 35 3.618 -9.994 -4.578 294 H LEU 36 H LEU 36 1.697 -8.575 -2.759 295 HA LEU 36 HA LEU 36 2.410 -8.084 -0.139 296 HB2 LEU 36 2HB LEU 36 4.126 -6.328 -0.457 297 HB3 LEU 36 1HB LEU 36 4.679 -7.932 -0.842 298 HG LEU 36 HG LEU 36 4.248 -7.273 -3.294 299 HD11 LEU 36 1HD1 LEU 36 4.372 -4.546 -2.065 300 HD12 LEU 36 2HD1 LEU 36 2.979 -5.272 -2.872 301 HD13 LEU 36 3HD1 LEU 36 4.454 -4.930 -3.783 302 HD21 LEU 36 3HD2 LEU 36 6.410 -7.627 -2.320 303 HD22 LEU 36 1HD2 LEU 36 6.427 -5.977 -1.710 304 HD23 LEU 36 2HD2 LEU 36 6.455 -6.271 -3.461 305 H GLN 37 H GLN 37 1.352 -6.547 0.748 306 HA GLN 37 HA GLN 37 -0.215 -4.848 -1.046 307 HB2 GLN 37 2HB GLN 37 -0.995 -5.925 1.671 308 HB3 GLN 37 1HB GLN 37 -1.898 -4.701 0.815 309 HG2 GLN 37 2HG GLN 37 -3.019 -6.773 0.527 310 HG3 GLN 37 1HG GLN 37 -2.302 -6.335 -1.012 311 HE21 GLN 37 1HE2 GLN 37 -0.567 -7.798 1.711 312 HE22 GLN 37 2HE2 GLN 37 -0.278 -9.303 0.924 313 H ILE 38 H ILE 38 -0.436 -2.703 -0.494 314 HA ILE 38 HA ILE 38 1.584 -1.776 1.433 315 HB ILE 38 HB ILE 38 0.746 -0.440 -1.130 316 HG12 ILE 38 2HG1 ILE 38 3.129 -2.256 -0.670 317 HG13 ILE 38 1HG1 ILE 38 1.718 -2.610 -1.637 318 HG21 ILE 38 1HG2 ILE 38 3.145 -0.086 0.694 319 HG22 ILE 38 2HG2 ILE 38 1.779 1.018 0.558 320 HG23 ILE 38 3HG2 ILE 38 2.881 0.798 -0.807 321 HD11 ILE 38 3HD1 ILE 38 3.632 -0.393 -2.157 322 HD12 ILE 38 1HD1 ILE 38 2.255 -0.848 -3.171 323 HD13 ILE 38 2HD1 ILE 38 3.631 -1.947 -2.986 324 H VAL 39 H VAL 39 0.994 0.193 2.516 325 HA VAL 39 HA VAL 39 -1.809 0.986 2.209 326 HB VAL 39 HB VAL 39 -2.025 1.242 4.686 327 HG11 VAL 39 1HG1 VAL 39 -2.935 -0.739 3.606 328 HG12 VAL 39 2HG1 VAL 39 -2.308 -1.141 5.205 329 HG13 VAL 39 3HG1 VAL 39 -1.380 -1.559 3.764 330 HG21 VAL 39 3HG2 VAL 39 -0.429 0.112 6.174 331 HG22 VAL 39 1HG2 VAL 39 0.353 1.403 5.264 332 HG23 VAL 39 2HG2 VAL 39 0.592 -0.276 4.786 333 H ALA 40 H ALA 40 -2.162 3.135 2.144 334 HA ALA 40 HA ALA 40 0.095 4.912 2.827 335 HB1 ALA 40 1HB ALA 40 -2.025 5.342 0.737 336 HB2 ALA 40 2HB ALA 40 -0.421 4.789 0.384 337 HB3 ALA 40 3HB ALA 40 -0.662 6.396 1.069 338 H ARG 41 H ARG 41 -0.395 6.145 4.541 339 HA ARG 41 HA ARG 41 -3.184 6.954 4.791 340 HB2 ARG 41 2HB ARG 41 -2.317 6.018 6.868 341 HB3 ARG 41 1HB ARG 41 -0.957 7.152 6.810 342 HG2 ARG 41 2HG ARG 41 -2.322 8.933 7.303 343 HG3 ARG 41 1HG ARG 41 -3.799 8.040 6.936 344 HD2 ARG 41 2HD ARG 41 -3.531 8.246 9.347 345 HD3 ARG 41 1HD ARG 41 -3.366 6.573 8.824 346 HE ARG 41 HE ARG 41 -0.896 8.045 9.121 347 HH11 ARG 41 1HH1 ARG 41 -3.179 5.760 10.576 348 HH12 ARG 41 2HH1 ARG 41 -2.139 5.275 11.815 349 HH21 ARG 41 1HH2 ARG 41 0.580 7.322 10.869 350 HH22 ARG 41 2HH2 ARG 41 -0.000 6.155 11.971 351 H LEU 42 H LEU 42 -3.756 8.798 4.290 352 HA LEU 42 HA LEU 42 -1.881 10.537 2.954 353 HB2 LEU 42 2HB LEU 42 -4.750 11.070 3.605 354 HB3 LEU 42 1HB LEU 42 -3.865 12.032 2.484 355 HG LEU 42 HG LEU 42 -5.154 9.427 2.229 356 HD11 LEU 42 1HD1 LEU 42 -5.640 10.172 -0.066 357 HD12 LEU 42 2HD1 LEU 42 -4.807 11.669 0.299 358 HD13 LEU 42 3HD1 LEU 42 -6.270 11.217 1.188 359 HD21 LEU 42 3HD2 LEU 42 -2.674 10.005 0.591 360 HD22 LEU 42 1HD2 LEU 42 -3.811 8.700 0.257 361 HD23 LEU 42 2HD2 LEU 42 -2.876 8.695 1.755 362 H LYS 43 H LYS 43 -0.985 12.399 3.587 363 HA LYS 43 HA LYS 43 -0.940 13.150 6.334 364 HB2 LYS 43 2HB LYS 43 -0.106 14.808 3.912 365 HB3 LYS 43 1HB LYS 43 0.322 15.146 5.575 366 HG2 LYS 43 2HG LYS 43 1.616 13.197 5.713 367 HG3 LYS 43 1HG LYS 43 1.174 12.754 4.056 368 HD2 LYS 43 2HD LYS 43 2.223 14.684 3.166 369 HD3 LYS 43 1HD LYS 43 2.448 15.381 4.773 370 HE2 LYS 43 2HE LYS 43 3.810 13.680 5.376 371 HE3 LYS 43 1HE LYS 43 3.708 12.822 3.826 372 HZ1 LYS 43 3HZ LYS 43 4.880 15.541 4.290 373 HZ2 LYS 43 1HZ LYS 43 4.708 14.842 2.777 374 HZ3 LYS 43 2HZ LYS 43 5.780 14.186 3.907 375 H ASN 44 H ASN 44 -2.561 14.339 3.500 376 HA ASN 44 HA ASN 44 -3.788 16.563 4.871 377 HB2 ASN 44 2HB ASN 44 -3.094 16.918 2.612 378 HB3 ASN 44 1HB ASN 44 -4.038 15.564 2.032 379 HD21 ASN 44 1HD2 ASN 44 -6.253 15.849 1.723 380 HD22 ASN 44 2HD2 ASN 44 -7.017 17.385 1.761 381 H ASN 45 H ASN 45 -4.924 13.517 3.431 382 HA ASN 45 HA ASN 45 -7.580 14.155 4.312 383 HB2 ASN 45 2HB ASN 45 -7.195 13.092 2.097 384 HB3 ASN 45 1HB ASN 45 -6.669 11.650 2.974 385 HD21 ASN 45 1HD2 ASN 45 -8.314 10.459 1.919 386 HD22 ASN 45 2HD2 ASN 45 -9.950 10.599 2.413 387 H ASN 46 H ASN 46 -4.912 12.325 5.477 388 HA ASN 46 HA ASN 46 -4.495 11.130 7.333 389 HB2 ASN 46 2HB ASN 46 -5.684 13.024 8.484 390 HB3 ASN 46 1HB ASN 46 -7.196 12.159 8.310 391 HD21 ASN 46 1HD2 ASN 46 -7.646 10.472 9.729 392 HD22 ASN 46 2HD2 ASN 46 -6.699 10.127 11.120 393 H ARG 47 H ARG 47 -6.475 10.200 5.112 394 HA ARG 47 HA ARG 47 -7.419 7.868 6.587 395 HB2 ARG 47 2HB ARG 47 -8.222 8.780 3.826 396 HB3 ARG 47 1HB ARG 47 -8.827 7.347 4.634 397 HG2 ARG 47 2HG ARG 47 -9.765 8.805 6.413 398 HG3 ARG 47 1HG ARG 47 -9.260 10.206 5.466 399 HD2 ARG 47 2HD ARG 47 -10.627 9.362 3.579 400 HD3 ARG 47 1HD ARG 47 -11.184 8.056 4.620 401 HE ARG 47 HE ARG 47 -11.608 10.710 5.649 402 HH11 ARG 47 1HH1 ARG 47 -13.014 7.995 3.847 403 HH12 ARG 47 2HH1 ARG 47 -14.608 8.542 3.987 404 HH21 ARG 47 1HH2 ARG 47 -13.845 11.472 5.822 405 HH22 ARG 47 2HH2 ARG 47 -15.093 10.540 5.127 406 H GLN 48 H GLN 48 -7.067 5.797 5.796 407 HA GLN 48 HA GLN 48 -4.618 5.634 4.304 408 HB2 GLN 48 2HB GLN 48 -4.222 4.972 6.468 409 HB3 GLN 48 1HB GLN 48 -5.746 4.120 6.590 410 HG2 GLN 48 2HG GLN 48 -5.000 2.397 5.259 411 HG3 GLN 48 1HG GLN 48 -3.567 3.277 4.735 412 HE21 GLN 48 1HE2 GLN 48 -3.800 0.642 6.039 413 HE22 GLN 48 2HE2 GLN 48 -2.935 0.745 7.520 414 H VAL 49 H VAL 49 -4.606 4.713 2.494 415 HA VAL 49 HA VAL 49 -6.667 2.755 1.739 416 HB VAL 49 HB VAL 49 -6.567 3.627 -0.576 417 HG11 VAL 49 1HG1 VAL 49 -7.854 5.695 -0.200 418 HG12 VAL 49 2HG1 VAL 49 -7.328 5.691 1.478 419 HG13 VAL 49 3HG1 VAL 49 -8.354 4.390 0.879 420 HG21 VAL 49 3HG2 VAL 49 -4.930 5.872 0.620 421 HG22 VAL 49 1HG2 VAL 49 -5.551 5.827 -1.032 422 HG23 VAL 49 2HG2 VAL 49 -4.344 4.652 -0.511 423 H CYS 50 H CYS 50 -5.974 1.045 0.665 424 HA CYS 50 HA CYS 50 -3.284 0.221 0.765 425 HB2 CYS 50 2HB CYS 50 -5.590 -0.793 -0.869 426 HB3 CYS 50 1HB CYS 50 -4.128 -1.682 -0.727 427 H ILE 51 H ILE 51 -1.664 0.330 -0.696 428 HA ILE 51 HA ILE 51 -2.162 1.990 -3.077 429 HB ILE 51 HB ILE 51 0.589 1.174 -2.123 430 HG12 ILE 51 2HG1 ILE 51 -0.933 3.647 -1.309 431 HG13 ILE 51 1HG1 ILE 51 -0.513 2.318 -0.232 432 HG21 ILE 51 1HG2 ILE 51 -0.449 3.468 -3.746 433 HG22 ILE 51 2HG2 ILE 51 0.401 2.052 -4.362 434 HG23 ILE 51 3HG2 ILE 51 1.247 3.209 -3.322 435 HD11 ILE 51 3HD1 ILE 51 1.191 4.002 0.145 436 HD12 ILE 51 1HD1 ILE 51 1.379 4.210 -1.610 437 HD13 ILE 51 2HD1 ILE 51 1.868 2.731 -0.833 438 H ASP 52 H ASP 52 -1.654 1.281 -5.055 439 HA ASP 52 HA ASP 52 -1.526 -1.534 -5.565 440 HB2 ASP 52 2HB ASP 52 -2.700 0.023 -7.076 441 HB3 ASP 52 1HB ASP 52 -1.196 0.859 -7.394 442 HA PRO 53 HA PRO 53 2.905 -1.526 -5.092 443 HB2 PRO 53 2HB PRO 53 3.384 -4.111 -5.793 444 HB3 PRO 53 1HB PRO 53 2.845 -3.563 -4.215 445 HG2 PRO 53 2HG PRO 53 1.293 -4.889 -6.351 446 HG3 PRO 53 1HG PRO 53 1.079 -4.919 -4.586 447 HD2 PRO 53 2HD PRO 53 -0.439 -3.413 -6.406 448 HD3 PRO 53 1HD PRO 53 -0.359 -3.150 -4.654 449 H LYS 54 H LYS 54 1.477 -1.408 -8.073 450 HA LYS 54 HA LYS 54 3.900 -2.144 -9.470 451 HB2 LYS 54 2HB LYS 54 1.318 -1.023 -10.513 452 HB3 LYS 54 1HB LYS 54 2.676 -1.500 -11.521 453 HG2 LYS 54 2HG LYS 54 2.461 -3.812 -10.688 454 HG3 LYS 54 1HG LYS 54 1.071 -3.313 -9.728 455 HD2 LYS 54 2HD LYS 54 1.273 -3.120 -12.727 456 HD3 LYS 54 1HD LYS 54 0.427 -4.392 -11.846 457 HE2 LYS 54 2HE LYS 54 -1.080 -2.728 -10.895 458 HE3 LYS 54 1HE LYS 54 -0.207 -1.451 -11.741 459 HZ1 LYS 54 3HZ LYS 54 -0.801 -2.476 -13.815 460 HZ2 LYS 54 1HZ LYS 54 -2.176 -2.052 -12.932 461 HZ3 LYS 54 2HZ LYS 54 -1.685 -3.673 -13.026 462 H LEU 55 H LEU 55 2.774 0.527 -7.873 463 HA LEU 55 HA LEU 55 3.811 2.578 -9.512 464 HB2 LEU 55 2HB LEU 55 3.508 2.533 -6.521 465 HB3 LEU 55 1HB LEU 55 3.853 3.964 -7.466 466 HG LEU 55 HG LEU 55 1.326 2.326 -7.549 467 HD11 LEU 55 1HD1 LEU 55 1.885 5.110 -6.571 468 HD12 LEU 55 2HD1 LEU 55 1.533 3.702 -5.570 469 HD13 LEU 55 3HD1 LEU 55 0.298 4.349 -6.656 470 HD21 LEU 55 3HD2 LEU 55 1.847 3.178 -9.766 471 HD22 LEU 55 1HD2 LEU 55 2.107 4.785 -9.095 472 HD23 LEU 55 2HD2 LEU 55 0.492 4.068 -9.063 473 H LYS 56 H LYS 56 5.723 3.157 -9.974 474 HA LYS 56 HA LYS 56 7.931 1.545 -9.238 475 HB2 LYS 56 2HB LYS 56 7.456 2.545 -11.505 476 HB3 LYS 56 1HB LYS 56 7.877 4.107 -10.857 477 HG2 LYS 56 2HG LYS 56 9.832 1.812 -10.914 478 HG3 LYS 56 1HG LYS 56 9.591 2.875 -12.288 479 HD2 LYS 56 2HD LYS 56 10.273 4.792 -10.858 480 HD3 LYS 56 1HD LYS 56 10.580 3.657 -9.537 481 HE2 LYS 56 2HE LYS 56 12.266 2.519 -10.831 482 HE3 LYS 56 1HE LYS 56 11.879 3.476 -12.252 483 HZ1 LYS 56 3HZ LYS 56 13.863 4.294 -11.234 484 HZ2 LYS 56 1HZ LYS 56 13.141 4.542 -9.740 485 HZ3 LYS 56 2HZ LYS 56 12.672 5.440 -11.061 486 H TRP 57 H TRP 57 6.710 4.642 -8.183 487 HA TRP 57 HA TRP 57 9.134 5.456 -6.913 488 HB2 TRP 57 2HB TRP 57 7.892 7.258 -5.852 489 HB3 TRP 57 1HB TRP 57 7.306 7.097 -7.489 490 HD1 TRP 57 HD TRP 57 4.689 6.764 -7.761 491 HE1 TRP 57 1HE TRP 57 2.717 6.650 -6.089 492 HE3 TRP 57 3HE TRP 57 7.304 6.293 -3.395 493 HZ2 TRP 57 2HZ TRP 57 2.326 6.369 -3.259 494 HZ3 TRP 57 3HZ TRP 57 6.071 6.096 -1.298 495 HH2 TRP 57 HH TRP 57 3.632 6.122 -1.249 496 H ILE 58 H ILE 58 6.496 3.474 -6.003 497 HA ILE 58 HA ILE 58 6.778 3.391 -3.210 498 HB ILE 58 HB ILE 58 5.591 1.603 -5.289 499 HG12 ILE 58 2HG1 ILE 58 4.447 3.660 -4.444 500 HG13 ILE 58 1HG1 ILE 58 3.468 2.225 -4.265 501 HG21 ILE 58 1HG2 ILE 58 5.670 0.853 -2.384 502 HG22 ILE 58 2HG2 ILE 58 6.537 0.038 -3.691 503 HG23 ILE 58 3HG2 ILE 58 4.771 0.035 -3.666 504 HD11 ILE 58 3HD1 ILE 58 5.059 3.580 -2.132 505 HD12 ILE 58 1HD1 ILE 58 4.171 2.075 -1.939 506 HD13 ILE 58 2HD1 ILE 58 3.310 3.564 -2.333 507 H GLN 59 H GLN 59 7.985 1.237 -5.713 508 HA GLN 59 HA GLN 59 9.258 -0.400 -3.816 509 HB2 GLN 59 2HB GLN 59 10.187 -1.567 -5.805 510 HB3 GLN 59 1HB GLN 59 8.439 -1.433 -5.731 511 HG2 GLN 59 2HG GLN 59 8.598 0.483 -7.317 512 HG3 GLN 59 1HG GLN 59 10.320 0.144 -7.475 513 HE21 GLN 59 1HE2 GLN 59 7.895 -2.335 -7.053 514 HE22 GLN 59 2HE2 GLN 59 8.007 -3.016 -8.597 515 H GLU 60 H GLU 60 10.264 2.286 -5.739 516 HA GLU 60 HA GLU 60 13.050 1.898 -5.336 517 HB2 GLU 60 2HB GLU 60 12.284 3.159 -7.270 518 HB3 GLU 60 1HB GLU 60 11.449 4.301 -6.240 519 HG2 GLU 60 2HG GLU 60 13.562 5.163 -5.436 520 HG3 GLU 60 1HG GLU 60 14.426 3.941 -6.363 521 H TYR 61 H TYR 61 10.670 2.892 -3.342 522 HA TYR 61 HA TYR 61 12.528 4.373 -1.641 523 HB2 TYR 61 2HB TYR 61 10.674 5.753 -2.290 524 HB3 TYR 61 1HB TYR 61 9.521 4.491 -1.926 525 HD1 TYR 61 2HD TYR 61 12.283 5.439 0.333 526 HD2 TYR 61 1HD TYR 61 8.141 5.817 -0.532 527 HE1 TYR 61 2HE TYR 61 11.908 6.482 2.557 528 HE2 TYR 61 1HE TYR 61 7.738 6.816 1.644 529 HH TYR 61 HH TYR 61 10.261 7.968 3.596 530 H LEU 62 H LEU 62 9.659 2.378 -1.339 531 HA LEU 62 HA LEU 62 10.305 1.547 1.267 532 HB2 LEU 62 2HB LEU 62 8.339 0.627 -0.731 533 HB3 LEU 62 1HB LEU 62 8.442 -0.187 0.793 534 HG LEU 62 HG LEU 62 6.629 1.307 0.951 535 HD11 LEU 62 1HD1 LEU 62 8.000 1.387 2.915 536 HD12 LEU 62 2HD1 LEU 62 7.226 2.940 2.627 537 HD13 LEU 62 3HD1 LEU 62 8.932 2.729 2.247 538 HD21 LEU 62 3HD2 LEU 62 8.403 3.407 -0.260 539 HD22 LEU 62 1HD2 LEU 62 6.793 3.705 0.385 540 HD23 LEU 62 2HD2 LEU 62 6.998 2.638 -1.005 541 H GLU 63 H GLU 63 11.223 0.241 -1.823 542 HA GLU 63 HA GLU 63 11.913 -2.139 -0.300 543 HB2 GLU 63 2HB GLU 63 11.411 -1.971 -3.252 544 HB3 GLU 63 1HB GLU 63 12.016 -3.397 -2.423 545 HG2 GLU 63 2HG GLU 63 9.957 -3.379 -1.027 546 HG3 GLU 63 1HG GLU 63 9.346 -2.075 -2.044 547 H LYS 64 H LYS 64 13.196 0.380 -2.201 548 HA LYS 64 HA LYS 64 15.685 -1.090 -2.210 549 HB2 LYS 64 2HB LYS 64 14.979 1.417 -3.732 550 HB3 LYS 64 1HB LYS 64 16.566 0.653 -3.756 551 HG2 LYS 64 2HG LYS 64 13.983 -0.580 -4.712 552 HG3 LYS 64 1HG LYS 64 15.309 -0.001 -5.727 553 HD2 LYS 64 2HD LYS 64 16.796 -1.712 -4.758 554 HD3 LYS 64 1HD LYS 64 15.486 -2.277 -3.727 555 HE2 LYS 64 2HE LYS 64 14.187 -2.881 -5.704 556 HE3 LYS 64 1HE LYS 64 15.513 -2.342 -6.742 557 HZ1 LYS 64 3HZ LYS 64 16.901 -4.072 -5.735 558 HZ2 LYS 64 1HZ LYS 64 15.514 -4.731 -6.429 559 HZ3 LYS 64 2HZ LYS 64 15.614 -4.551 -4.760 560 H ALA 65 H ALA 65 14.191 1.513 -0.601 561 HA ALA 65 HA ALA 65 16.797 2.301 0.432 562 HB1 ALA 65 1HB ALA 65 15.198 4.093 -0.100 563 HB2 ALA 65 2HB ALA 65 15.644 4.104 1.606 564 HB3 ALA 65 3HB ALA 65 14.086 3.446 1.102 565 H LEU 66 H LEU 66 13.839 0.765 1.466 566 HA LEU 66 HA LEU 66 14.957 0.417 4.129 567 HB2 LEU 66 2HB LEU 66 12.206 -0.213 3.090 568 HB3 LEU 66 1HB LEU 66 12.740 -0.696 4.680 569 HG LEU 66 HG LEU 66 11.374 1.250 4.884 570 HD11 LEU 66 1HD1 LEU 66 12.852 2.805 6.024 571 HD12 LEU 66 2HD1 LEU 66 14.243 2.001 5.312 572 HD13 LEU 66 3HD1 LEU 66 13.195 1.126 6.433 573 HD21 LEU 66 3HD2 LEU 66 11.916 3.412 3.855 574 HD22 LEU 66 1HD2 LEU 66 11.599 2.185 2.630 575 HD23 LEU 66 2HD2 LEU 66 13.257 2.661 2.994 576 H ASN 67 H ASN 67 13.991 -1.669 1.480 577 HA ASN 67 HA ASN 67 14.817 -3.970 3.063 578 HB2 ASN 67 2HB ASN 67 13.518 -3.801 0.347 579 HB3 ASN 67 1HB ASN 67 14.138 -5.312 0.986 580 HD21 ASN 67 1HD2 ASN 67 11.621 -2.860 1.299 581 HD22 ASN 67 2HD2 ASN 67 10.633 -3.809 2.332 582 H LYS 68 H LYS 68 15.641 -2.568 -0.024 583 HA LYS 68 HA LYS 68 17.281 -2.869 -1.454 584 HB2 LYS 68 2HB LYS 68 19.580 -2.220 -0.603 585 HB3 LYS 68 1HB LYS 68 18.283 -1.157 -0.135 586 HG2 LYS 68 2HG LYS 68 18.289 -2.137 2.096 587 HG3 LYS 68 1HG LYS 68 19.586 -3.230 1.604 588 HD2 LYS 68 2HD LYS 68 19.721 -0.251 1.483 589 HD3 LYS 68 1HD LYS 68 20.379 -1.193 2.835 590 HE2 LYS 68 2HE LYS 68 21.248 -1.268 -0.075 591 HE3 LYS 68 1HE LYS 68 22.120 -0.537 1.260 592 HZ1 LYS 68 3HZ LYS 68 21.532 -3.445 1.017 593 HZ2 LYS 68 1HZ LYS 68 22.382 -2.708 2.254 594 HZ3 LYS 68 2HZ LYS 68 23.005 -2.712 0.703 Start of MODEL 20 1 H1 LYS 1 1HT LYS 1 -26.236 -13.847 -6.881 2 H2 LYS 1 2HT LYS 1 -26.922 -12.886 -8.072 3 H3 LYS 1 3HT LYS 1 -26.841 -12.319 -6.468 4 HA LYS 1 HA LYS 1 -24.568 -12.863 -8.281 5 HB2 LYS 1 2HB LYS 1 -25.633 -10.272 -7.145 6 HB3 LYS 1 1HB LYS 1 -24.147 -10.408 -8.054 7 HG2 LYS 1 2HG LYS 1 -25.444 -11.106 -10.014 8 HG3 LYS 1 1HG LYS 1 -26.928 -10.914 -9.077 9 HD2 LYS 1 2HD LYS 1 -26.588 -8.910 -10.379 10 HD3 LYS 1 1HD LYS 1 -26.323 -8.576 -8.667 11 HE2 LYS 1 2HE LYS 1 -23.901 -8.659 -8.982 12 HE3 LYS 1 1HE LYS 1 -24.118 -9.064 -10.680 13 HZ1 LYS 1 2HZ LYS 1 -23.603 -6.749 -10.394 14 HZ2 LYS 1 3HZ LYS 1 -24.904 -6.525 -9.361 15 HZ3 LYS 1 1HZ LYS 1 -25.173 -6.882 -10.992 16 HA PRO 2 HA PRO 2 -22.732 -13.241 -4.209 17 HB2 PRO 2 2HB PRO 2 -20.431 -14.430 -5.029 18 HB3 PRO 2 1HB PRO 2 -21.933 -15.333 -4.811 19 HG2 PRO 2 2HG PRO 2 -20.646 -14.376 -7.321 20 HG3 PRO 2 1HG PRO 2 -21.572 -15.856 -7.029 21 HD2 PRO 2 2HD PRO 2 -22.549 -13.575 -8.257 22 HD3 PRO 2 1HD PRO 2 -23.544 -14.835 -7.493 23 H VAL 3 H VAL 3 -22.074 -11.296 -3.538 24 HA VAL 3 HA VAL 3 -20.472 -9.586 -5.157 25 HB VAL 3 HB VAL 3 -22.093 -8.659 -3.518 26 HG11 VAL 3 1HG1 VAL 3 -20.193 -9.657 -1.413 27 HG12 VAL 3 2HG1 VAL 3 -21.839 -10.217 -1.700 28 HG13 VAL 3 3HG1 VAL 3 -21.553 -8.575 -1.122 29 HG21 VAL 3 3HG2 VAL 3 -19.246 -7.805 -3.011 30 HG22 VAL 3 1HG2 VAL 3 -20.682 -6.860 -2.609 31 HG23 VAL 3 2HG2 VAL 3 -20.303 -7.219 -4.295 32 H SER 4 H SER 4 -19.924 -11.888 -2.838 33 HA SER 4 HA SER 4 -18.137 -12.923 -1.959 34 HB2 SER 4 2HB SER 4 -17.469 -13.293 -4.292 35 HB3 SER 4 1HB SER 4 -16.675 -11.720 -4.325 36 HG SER 4 HG SER 4 -15.990 -13.963 -2.742 37 H LEU 5 H LEU 5 -18.092 -11.823 -0.058 38 HA LEU 5 HA LEU 5 -16.003 -9.786 0.086 39 HB2 LEU 5 2HB LEU 5 -18.384 -9.130 0.844 40 HB3 LEU 5 1HB LEU 5 -18.173 -10.262 2.156 41 HG LEU 5 HG LEU 5 -17.854 -7.969 2.920 42 HD11 LEU 5 1HD1 LEU 5 -15.229 -9.421 2.938 43 HD12 LEU 5 2HD1 LEU 5 -16.545 -9.634 4.091 44 HD13 LEU 5 3HD1 LEU 5 -15.687 -8.094 4.004 45 HD21 LEU 5 3HD2 LEU 5 -15.985 -6.591 2.134 46 HD22 LEU 5 1HD2 LEU 5 -17.149 -6.940 0.858 47 HD23 LEU 5 2HD2 LEU 5 -15.612 -7.807 0.917 48 H SER 6 H SER 6 -14.460 -11.335 0.081 49 HA SER 6 HA SER 6 -13.974 -12.584 2.635 50 HB2 SER 6 2HB SER 6 -13.933 -14.130 0.023 51 HB3 SER 6 1HB SER 6 -13.492 -14.760 1.610 52 HG SER 6 HG SER 6 -15.867 -13.700 1.861 53 H TYR 7 H TYR 7 -11.975 -11.869 3.090 54 HA TYR 7 HA TYR 7 -10.008 -11.962 0.978 55 HB2 TYR 7 2HB TYR 7 -9.088 -9.730 1.612 56 HB3 TYR 7 1HB TYR 7 -10.696 -9.638 0.912 57 HD1 TYR 7 1HD TYR 7 -12.601 -8.979 2.283 58 HD2 TYR 7 2HD TYR 7 -8.679 -9.152 3.916 59 HE1 TYR 7 1HE TYR 7 -13.351 -7.664 4.216 60 HE2 TYR 7 2HE TYR 7 -9.419 -7.843 5.850 61 HH TYR 7 HH TYR 7 -12.712 -7.303 6.490 62 H ARG 8 H ARG 8 -8.199 -12.666 1.505 63 HA ARG 8 HA ARG 8 -7.766 -13.245 4.349 64 HB2 ARG 8 2HB ARG 8 -6.431 -15.153 3.788 65 HB3 ARG 8 1HB ARG 8 -7.909 -15.262 2.868 66 HG2 ARG 8 2HG ARG 8 -5.260 -14.318 1.754 67 HG3 ARG 8 1HG ARG 8 -5.875 -15.957 1.619 68 HD2 ARG 8 2HD ARG 8 -7.752 -15.145 0.287 69 HD3 ARG 8 1HD ARG 8 -7.181 -13.488 0.497 70 HE ARG 8 HE ARG 8 -5.186 -15.172 -0.600 71 HH11 ARG 8 1HH1 ARG 8 -8.084 -13.324 -1.508 72 HH12 ARG 8 2HH1 ARG 8 -7.579 -13.054 -3.099 73 HH21 ARG 8 1HH2 ARG 8 -4.530 -14.832 -2.797 74 HH22 ARG 8 2HH2 ARG 8 -5.502 -13.904 -3.852 75 H CYS 9 H CYS 9 -6.915 -11.258 2.010 76 HA CYS 9 HA CYS 9 -4.273 -10.751 3.147 77 HB2 CYS 9 2HB CYS 9 -5.353 -10.250 0.380 78 HB3 CYS 9 1HB CYS 9 -3.793 -9.633 0.878 79 HA PRO 10 HA PRO 10 -5.879 -7.070 4.946 80 HB2 PRO 10 2HB PRO 10 -3.664 -5.436 4.462 81 HB3 PRO 10 1HB PRO 10 -3.878 -6.489 5.862 82 HG2 PRO 10 2HG PRO 10 -2.367 -7.002 3.318 83 HG3 PRO 10 1HG PRO 10 -1.947 -7.443 4.984 84 HD2 PRO 10 2HD PRO 10 -2.878 -9.236 3.292 85 HD3 PRO 10 1HD PRO 10 -3.415 -9.243 4.989 86 H CYS 11 H CYS 11 -4.390 -6.828 1.778 87 HA CYS 11 HA CYS 11 -6.267 -4.702 1.164 88 HB2 CYS 11 2HB CYS 11 -3.422 -4.945 0.209 89 HB3 CYS 11 1HB CYS 11 -4.592 -3.773 -0.387 90 H ARG 12 H ARG 12 -7.720 -5.836 0.163 91 HA ARG 12 HA ARG 12 -7.045 -7.720 -1.918 92 HB2 ARG 12 2HB ARG 12 -8.972 -8.067 -0.417 93 HB3 ARG 12 1HB ARG 12 -9.677 -6.566 -0.994 94 HG2 ARG 12 2HG ARG 12 -9.829 -7.533 -3.245 95 HG3 ARG 12 1HG ARG 12 -9.201 -9.057 -2.607 96 HD2 ARG 12 2HD ARG 12 -11.084 -9.172 -1.054 97 HD3 ARG 12 1HD ARG 12 -11.715 -7.663 -1.716 98 HE ARG 12 HE ARG 12 -11.283 -9.669 -3.686 99 HH11 ARG 12 1HH1 ARG 12 -13.610 -8.374 -1.353 100 HH12 ARG 12 2HH1 ARG 12 -14.945 -9.189 -2.065 101 HH21 ARG 12 1HH2 ARG 12 -13.089 -10.751 -4.613 102 HH22 ARG 12 2HH2 ARG 12 -14.651 -10.551 -3.958 103 H PHE 13 H PHE 13 -8.236 -4.482 -1.444 104 HA PHE 13 HA PHE 13 -8.303 -4.025 -4.330 105 HB2 PHE 13 2HB PHE 13 -9.551 -2.377 -2.110 106 HB3 PHE 13 1HB PHE 13 -9.703 -2.070 -3.834 107 HD1 PHE 13 2HD PHE 13 -10.858 -3.840 -5.251 108 HD2 PHE 13 1HD PHE 13 -11.051 -3.791 -1.006 109 HE1 PHE 13 2HE PHE 13 -12.857 -5.277 -5.329 110 HE2 PHE 13 1HE PHE 13 -13.048 -5.231 -1.077 111 HZ PHE 13 HZ PHE 13 -13.952 -5.972 -3.240 112 H PHE 14 H PHE 14 -7.116 -2.324 -5.167 113 HA PHE 14 HA PHE 14 -5.265 -0.984 -3.341 114 HB2 PHE 14 2HB PHE 14 -4.653 -2.255 -5.997 115 HB3 PHE 14 1HB PHE 14 -3.559 -1.170 -5.147 116 HD1 PHE 14 2HD PHE 14 -2.756 -1.809 -2.911 117 HD2 PHE 14 1HD PHE 14 -4.757 -4.554 -5.447 118 HE1 PHE 14 2HE PHE 14 -1.815 -3.625 -1.647 119 HE2 PHE 14 1HE PHE 14 -3.804 -6.433 -4.143 120 HZ PHE 14 HZ PHE 14 -2.327 -5.969 -2.254 121 H GLU 15 H GLU 15 -4.745 1.141 -3.902 122 HA GLU 15 HA GLU 15 -6.117 2.282 -6.209 123 HB2 GLU 15 2HB GLU 15 -6.898 3.150 -3.963 124 HB3 GLU 15 1HB GLU 15 -5.253 3.650 -3.645 125 HG2 GLU 15 2HG GLU 15 -5.298 5.257 -5.419 126 HG3 GLU 15 1HG GLU 15 -6.869 4.680 -5.959 127 H SER 16 H SER 16 -4.809 3.363 -7.666 128 HA SER 16 HA SER 16 -1.916 3.280 -7.126 129 HB2 SER 16 2HB SER 16 -3.441 3.260 -9.713 130 HB3 SER 16 1HB SER 16 -1.686 3.318 -9.622 131 HG SER 16 HG SER 16 -3.375 1.306 -8.549 132 H HIS 17 H HIS 17 -4.306 5.474 -7.030 133 HA HIS 17 HA HIS 17 -3.024 7.549 -8.619 134 HB2 HIS 17 2HB HIS 17 -5.510 7.690 -6.916 135 HB3 HIS 17 1HB HIS 17 -4.920 8.966 -7.974 136 HD1 HIS 17 1HD HIS 17 -7.712 7.345 -8.078 137 HD2 HIS 17 2HD HIS 17 -4.440 6.897 -10.592 138 HE1 HIS 17 1HE HIS 17 -8.635 6.423 -10.202 139 HE2 HIS 17 2HE HIS 17 -6.716 6.603 -11.790 140 H VAL 18 H VAL 18 -2.168 6.386 -5.746 141 HA VAL 18 HA VAL 18 -2.254 8.775 -4.185 142 HB VAL 18 HB VAL 18 -0.857 6.168 -3.608 143 HG11 VAL 18 1HG1 VAL 18 -0.151 7.988 -2.178 144 HG12 VAL 18 2HG1 VAL 18 -1.091 6.798 -1.281 145 HG13 VAL 18 3HG1 VAL 18 -1.832 8.327 -1.756 146 HG21 VAL 18 3HG2 VAL 18 -3.692 6.979 -2.987 147 HG22 VAL 18 1HG2 VAL 18 -2.885 5.558 -2.340 148 HG23 VAL 18 2HG2 VAL 18 -3.171 5.694 -4.075 149 H ALA 19 H ALA 19 -0.556 10.102 -3.706 150 HA ALA 19 HA ALA 19 1.942 9.758 -5.248 151 HB1 ALA 19 1HB ALA 19 0.630 11.777 -5.802 152 HB2 ALA 19 2HB ALA 19 2.182 12.181 -5.052 153 HB3 ALA 19 3HB ALA 19 0.707 12.252 -4.101 154 H ARG 20 H ARG 20 3.907 9.879 -4.168 155 HA ARG 20 HA ARG 20 3.966 9.052 -1.475 156 HB2 ARG 20 2HB ARG 20 5.739 8.518 -3.088 157 HB3 ARG 20 1HB ARG 20 6.241 10.201 -3.100 158 HG2 ARG 20 2HG ARG 20 6.917 10.070 -0.786 159 HG3 ARG 20 1HG ARG 20 6.259 8.441 -0.653 160 HD2 ARG 20 2HD ARG 20 8.657 8.327 -0.899 161 HD3 ARG 20 1HD ARG 20 7.881 7.670 -2.332 162 HE ARG 20 HE ARG 20 8.712 10.445 -2.389 163 HH11 ARG 20 1HH1 ARG 20 9.260 7.108 -3.533 164 HH12 ARG 20 2HH1 ARG 20 10.503 7.557 -4.606 165 HH21 ARG 20 1HH2 ARG 20 10.434 11.004 -3.884 166 HH22 ARG 20 2HH2 ARG 20 11.188 9.800 -4.814 167 H ALA 21 H ALA 21 4.306 12.179 -2.919 168 HA ALA 21 HA ALA 21 5.265 13.542 -0.628 169 HB1 ALA 21 1HB ALA 21 4.701 15.586 -1.834 170 HB2 ALA 21 2HB ALA 21 3.755 14.653 -2.991 171 HB3 ALA 21 3HB ALA 21 5.504 14.432 -2.899 172 H ASN 22 H ASN 22 2.203 12.298 -1.406 173 HA ASN 22 HA ASN 22 0.844 14.109 0.480 174 HB2 ASN 22 2HB ASN 22 -0.099 13.821 -1.862 175 HB3 ASN 22 1HB ASN 22 -0.355 12.127 -1.486 176 HD21 ASN 22 1HD2 ASN 22 -2.098 11.582 -0.241 177 HD22 ASN 22 2HD2 ASN 22 -3.290 12.738 0.268 178 H VAL 23 H VAL 23 2.301 11.131 0.261 179 HA VAL 23 HA VAL 23 0.633 9.769 2.244 180 HB VAL 23 HB VAL 23 3.244 8.865 0.984 181 HG11 VAL 23 1HG1 VAL 23 2.609 6.638 1.725 182 HG12 VAL 23 2HG1 VAL 23 1.184 7.300 2.528 183 HG13 VAL 23 3HG1 VAL 23 2.800 7.743 3.086 184 HG21 VAL 23 3HG2 VAL 23 1.530 9.127 -0.706 185 HG22 VAL 23 1HG2 VAL 23 0.420 8.145 0.240 186 HG23 VAL 23 2HG2 VAL 23 1.876 7.421 -0.448 187 H LYS 24 H LYS 24 1.141 9.661 4.424 188 HA LYS 24 HA LYS 24 3.392 11.148 5.380 189 HB2 LYS 24 2HB LYS 24 1.107 11.115 6.485 190 HB3 LYS 24 1HB LYS 24 1.379 9.457 6.821 191 HG2 LYS 24 2HG LYS 24 3.219 9.812 8.135 192 HG3 LYS 24 1HG LYS 24 3.206 11.542 7.777 193 HD2 LYS 24 2HD LYS 24 0.839 10.164 8.774 194 HD3 LYS 24 1HD LYS 24 2.149 10.645 9.870 195 HE2 LYS 24 2HE LYS 24 1.844 12.993 9.011 196 HE3 LYS 24 1HE LYS 24 0.511 12.416 8.017 197 HZ1 LYS 24 3HZ LYS 24 -0.316 13.451 10.003 198 HZ2 LYS 24 1HZ LYS 24 0.587 12.450 10.989 199 HZ3 LYS 24 2HZ LYS 24 -0.660 11.810 10.057 200 H ARG 25 H ARG 25 2.187 7.864 5.908 201 HA ARG 25 HA ARG 25 4.904 6.847 5.849 202 HB2 ARG 25 2HB ARG 25 4.359 7.293 8.220 203 HB3 ARG 25 1HB ARG 25 2.895 6.340 8.065 204 HG2 ARG 25 2HG ARG 25 4.228 4.329 7.660 205 HG3 ARG 25 1HG ARG 25 5.703 5.287 7.771 206 HD2 ARG 25 2HD ARG 25 3.688 4.922 9.982 207 HD3 ARG 25 1HD ARG 25 5.234 4.080 9.853 208 HE ARG 25 HE ARG 25 5.501 6.932 9.795 209 HH11 ARG 25 1HH1 ARG 25 5.205 4.169 11.967 210 HH12 ARG 25 2HH1 ARG 25 5.942 4.940 13.284 211 HH21 ARG 25 1HH2 ARG 25 6.479 7.990 11.551 212 HH22 ARG 25 2HH2 ARG 25 6.694 7.210 13.056 213 H LEU 26 H LEU 26 4.970 4.713 5.101 214 HA LEU 26 HA LEU 26 2.496 3.377 4.618 215 HB2 LEU 26 2HB LEU 26 2.715 3.136 2.282 216 HB3 LEU 26 1HB LEU 26 2.741 4.837 2.632 217 HG LEU 26 HG LEU 26 5.123 3.156 1.901 218 HD11 LEU 26 1HD1 LEU 26 4.917 4.385 -0.208 219 HD12 LEU 26 2HD1 LEU 26 3.395 5.053 0.412 220 HD13 LEU 26 3HD1 LEU 26 3.564 3.305 0.178 221 HD21 LEU 26 3HD2 LEU 26 4.864 6.156 2.004 222 HD22 LEU 26 1HD2 LEU 26 6.263 5.202 1.530 223 HD23 LEU 26 2HD2 LEU 26 5.730 5.190 3.226 224 H LYS 27 H LYS 27 2.895 1.191 3.705 225 HA LYS 27 HA LYS 27 5.547 0.155 4.348 226 HB2 LYS 27 2HB LYS 27 4.250 0.255 6.513 227 HB3 LYS 27 1HB LYS 27 3.031 -0.697 5.723 228 HG2 LYS 27 2HG LYS 27 4.421 -2.579 5.618 229 HG3 LYS 27 1HG LYS 27 5.825 -1.636 6.134 230 HD2 LYS 27 2HD LYS 27 3.337 -1.849 7.708 231 HD3 LYS 27 1HD LYS 27 4.693 -2.990 7.976 232 HE2 LYS 27 2HE LYS 27 4.621 0.032 8.362 233 HE3 LYS 27 1HE LYS 27 4.727 -1.197 9.607 234 HZ1 LYS 27 3HZ LYS 27 6.918 -1.839 8.714 235 HZ2 LYS 27 1HZ LYS 27 6.866 -0.228 9.193 236 HZ3 LYS 27 2HZ LYS 27 6.807 -0.607 7.570 237 H ILE 28 H ILE 28 5.960 -1.849 3.366 238 HA ILE 28 HA ILE 28 3.847 -2.925 1.632 239 HB ILE 28 HB ILE 28 6.864 -3.275 1.453 240 HG12 ILE 28 2HG1 ILE 28 4.954 -1.709 -0.301 241 HG13 ILE 28 1HG1 ILE 28 6.259 -1.084 0.692 242 HG21 ILE 28 1HG2 ILE 28 4.729 -4.378 -0.354 243 HG22 ILE 28 2HG2 ILE 28 5.799 -5.296 0.718 244 HG23 ILE 28 3HG2 ILE 28 6.464 -4.409 -0.660 245 HD11 ILE 28 3HD1 ILE 28 6.868 -1.113 -1.665 246 HD12 ILE 28 1HD1 ILE 28 6.595 -2.852 -1.723 247 HD13 ILE 28 2HD1 ILE 28 7.899 -2.198 -0.732 248 H LEU 29 H LEU 29 3.000 -4.794 2.245 249 HA LEU 29 HA LEU 29 4.482 -6.530 4.109 250 HB2 LEU 29 2HB LEU 29 2.181 -5.753 4.778 251 HB3 LEU 29 1HB LEU 29 1.574 -6.572 3.347 252 HG LEU 29 HG LEU 29 2.332 -8.729 4.257 253 HD11 LEU 29 1HD1 LEU 29 2.992 -8.895 6.604 254 HD12 LEU 29 2HD1 LEU 29 3.027 -7.137 6.717 255 HD13 LEU 29 3HD1 LEU 29 4.158 -7.978 5.656 256 HD21 LEU 29 3HD2 LEU 29 0.517 -7.152 6.077 257 HD22 LEU 29 1HD2 LEU 29 0.624 -8.911 5.999 258 HD23 LEU 29 2HD2 LEU 29 0.046 -8.002 4.605 259 H ASN 30 H ASN 30 5.148 -8.507 3.386 260 HA ASN 30 HA ASN 30 4.568 -9.182 0.591 261 HB2 ASN 30 2HB ASN 30 6.635 -10.379 2.475 262 HB3 ASN 30 1HB ASN 30 6.510 -10.657 0.749 263 HD21 ASN 30 1HD2 ASN 30 7.320 -9.082 -0.664 264 HD22 ASN 30 2HD2 ASN 30 8.285 -7.749 -0.128 265 H THR 31 H THR 31 2.696 -10.492 0.478 266 HA THR 31 HA THR 31 2.583 -12.572 2.500 267 HB THR 31 HB THR 31 0.152 -12.861 1.672 268 HG1 THR 31 1HG THR 31 -0.498 -10.722 0.771 269 HG21 THR 31 3HG2 THR 31 0.953 -10.209 2.885 270 HG22 THR 31 1HG2 THR 31 0.732 -11.714 3.776 271 HG23 THR 31 2HG2 THR 31 -0.645 -10.952 2.970 272 HA PRO 32 HA PRO 32 3.808 -15.588 -0.459 273 HB2 PRO 32 2HB PRO 32 2.742 -17.832 0.616 274 HB3 PRO 32 1HB PRO 32 4.114 -16.982 1.331 275 HG2 PRO 32 2HG PRO 32 1.221 -16.847 2.063 276 HG3 PRO 32 1HG PRO 32 2.630 -16.996 3.128 277 HD2 PRO 32 2HD PRO 32 1.391 -14.634 2.720 278 HD3 PRO 32 1HD PRO 32 3.140 -14.740 2.967 279 H ASN 33 H ASN 33 0.949 -14.388 -0.668 280 HA ASN 33 HA ASN 33 0.159 -16.122 -2.864 281 HB2 ASN 33 2HB ASN 33 -2.173 -16.446 -2.227 282 HB3 ASN 33 1HB ASN 33 -1.114 -17.149 -1.021 283 HD21 ASN 33 1HD2 ASN 33 -0.533 -14.707 0.373 284 HD22 ASN 33 2HD2 ASN 33 -1.992 -14.201 1.154 285 H CYS 34 H CYS 34 -0.055 -13.079 -1.243 286 HA CYS 34 HA CYS 34 -1.512 -12.004 -3.525 287 HB2 CYS 34 2HB CYS 34 -1.345 -11.225 -0.662 288 HB3 CYS 34 1HB CYS 34 -1.890 -10.056 -1.796 289 H ALA 35 H ALA 35 1.499 -12.432 -2.610 290 HA ALA 35 HA ALA 35 3.468 -11.554 -3.014 291 HB1 ALA 35 1HB ALA 35 2.065 -9.703 -4.947 292 HB2 ALA 35 2HB ALA 35 2.598 -11.344 -5.319 293 HB3 ALA 35 3HB ALA 35 3.782 -10.093 -4.926 294 H LEU 36 H LEU 36 1.707 -8.503 -3.385 295 HA LEU 36 HA LEU 36 3.177 -7.499 -1.038 296 HB2 LEU 36 2HB LEU 36 2.959 -6.106 -3.695 297 HB3 LEU 36 1HB LEU 36 3.649 -5.424 -2.245 298 HG LEU 36 HG LEU 36 4.751 -7.756 -3.809 299 HD11 LEU 36 1HD1 LEU 36 5.685 -4.922 -3.470 300 HD12 LEU 36 2HD1 LEU 36 5.018 -5.628 -4.939 301 HD13 LEU 36 3HD1 LEU 36 6.574 -6.196 -4.318 302 HD21 LEU 36 3HD2 LEU 36 5.206 -7.999 -1.455 303 HD22 LEU 36 1HD2 LEU 36 5.782 -6.336 -1.375 304 HD23 LEU 36 2HD2 LEU 36 6.677 -7.536 -2.307 305 H GLN 37 H GLN 37 1.969 -6.310 0.267 306 HA GLN 37 HA GLN 37 -0.356 -4.959 -0.895 307 HB2 GLN 37 2HB GLN 37 -0.205 -6.112 1.920 308 HB3 GLN 37 1HB GLN 37 -1.466 -5.035 1.370 309 HG2 GLN 37 2HG GLN 37 -2.529 -7.048 1.199 310 HG3 GLN 37 1HG GLN 37 -1.851 -6.925 -0.412 311 HE21 GLN 37 1HE2 GLN 37 0.881 -7.634 0.640 312 HE22 GLN 37 2HE2 GLN 37 0.792 -9.325 0.906 313 H ILE 38 H ILE 38 -0.257 -2.845 -0.652 314 HA ILE 38 HA ILE 38 1.728 -1.851 1.254 315 HB ILE 38 HB ILE 38 1.033 -0.532 -1.381 316 HG12 ILE 38 2HG1 ILE 38 3.267 -2.506 -0.836 317 HG13 ILE 38 1HG1 ILE 38 1.852 -2.797 -1.823 318 HG21 ILE 38 1HG2 ILE 38 3.436 -0.382 0.475 319 HG22 ILE 38 2HG2 ILE 38 2.168 0.838 0.348 320 HG23 ILE 38 3HG2 ILE 38 3.239 0.531 -1.020 321 HD11 ILE 38 3HD1 ILE 38 3.905 -0.714 -2.342 322 HD12 ILE 38 1HD1 ILE 38 2.540 -1.089 -3.383 323 HD13 ILE 38 2HD1 ILE 38 3.827 -2.284 -3.155 324 H VAL 39 H VAL 39 1.145 0.118 2.274 325 HA VAL 39 HA VAL 39 -1.662 0.919 1.955 326 HB VAL 39 HB VAL 39 -1.841 1.153 4.471 327 HG11 VAL 39 1HG1 VAL 39 -2.856 -0.752 3.323 328 HG12 VAL 39 2HG1 VAL 39 -2.235 -1.230 4.905 329 HG13 VAL 39 3HG1 VAL 39 -1.340 -1.639 3.439 330 HG21 VAL 39 3HG2 VAL 39 -0.274 -0.140 5.866 331 HG22 VAL 39 1HG2 VAL 39 0.541 1.171 5.014 332 HG23 VAL 39 2HG2 VAL 39 0.696 -0.489 4.440 333 H ALA 40 H ALA 40 -1.987 3.100 1.888 334 HA ALA 40 HA ALA 40 0.327 4.796 2.608 335 HB1 ALA 40 1HB ALA 40 -1.687 5.216 0.391 336 HB2 ALA 40 2HB ALA 40 -0.026 4.696 0.183 337 HB3 ALA 40 3HB ALA 40 -0.370 6.298 0.811 338 H ARG 41 H ARG 41 -0.131 6.125 4.316 339 HA ARG 41 HA ARG 41 -2.918 6.907 4.639 340 HB2 ARG 41 2HB ARG 41 -1.979 5.876 6.650 341 HB3 ARG 41 1HB ARG 41 -0.645 7.038 6.612 342 HG2 ARG 41 2HG ARG 41 -2.028 8.780 7.181 343 HG3 ARG 41 1HG ARG 41 -3.502 7.868 6.857 344 HD2 ARG 41 2HD ARG 41 -3.142 8.034 9.264 345 HD3 ARG 41 1HD ARG 41 -2.964 6.364 8.716 346 HE ARG 41 HE ARG 41 -0.527 7.898 8.929 347 HH11 ARG 41 1HH1 ARG 41 -2.727 5.665 10.561 348 HH12 ARG 41 2HH1 ARG 41 -1.580 5.072 11.671 349 HH21 ARG 41 1HH2 ARG 41 1.109 7.090 10.527 350 HH22 ARG 41 2HH2 ARG 41 0.616 5.916 11.646 351 H LEU 42 H LEU 42 -3.509 8.793 4.262 352 HA LEU 42 HA LEU 42 -1.684 10.584 2.927 353 HB2 LEU 42 2HB LEU 42 -4.527 11.138 3.693 354 HB3 LEU 42 1HB LEU 42 -3.657 12.043 2.503 355 HG LEU 42 HG LEU 42 -5.014 9.459 2.361 356 HD11 LEU 42 1HD1 LEU 42 -5.590 10.145 0.084 357 HD12 LEU 42 2HD1 LEU 42 -4.719 11.639 0.354 358 HD13 LEU 42 3HD1 LEU 42 -6.143 11.253 1.324 359 HD21 LEU 42 3HD2 LEU 42 -2.601 9.963 0.599 360 HD22 LEU 42 1HD2 LEU 42 -3.772 8.668 0.360 361 HD23 LEU 42 2HD2 LEU 42 -2.765 8.687 1.807 362 H LYS 43 H LYS 43 -0.989 12.598 3.506 363 HA LYS 43 HA LYS 43 -0.525 13.003 6.278 364 HB2 LYS 43 2HB LYS 43 -0.111 14.998 4.008 365 HB3 LYS 43 1HB LYS 43 0.614 15.083 5.581 366 HG2 LYS 43 2HG LYS 43 1.900 13.190 5.216 367 HG3 LYS 43 1HG LYS 43 1.123 12.918 3.648 368 HD2 LYS 43 2HD LYS 43 1.946 14.969 2.793 369 HD3 LYS 43 1HD LYS 43 2.522 15.468 4.389 370 HE2 LYS 43 2HE LYS 43 3.980 13.742 4.463 371 HE3 LYS 43 1HE LYS 43 3.506 13.065 2.897 372 HZ1 LYS 43 3HZ LYS 43 4.819 15.728 3.360 373 HZ2 LYS 43 1HZ LYS 43 4.245 15.197 1.861 374 HZ3 LYS 43 2HZ LYS 43 5.520 14.394 2.612 375 H ASN 44 H ASN 44 -2.647 14.496 3.918 376 HA ASN 44 HA ASN 44 -3.737 16.393 5.854 377 HB2 ASN 44 2HB ASN 44 -3.167 17.159 3.574 378 HB3 ASN 44 1HB ASN 44 -4.300 16.005 2.918 379 HD21 ASN 44 1HD2 ASN 44 -5.477 17.559 1.895 380 HD22 ASN 44 2HD2 ASN 44 -6.514 18.665 2.704 381 H ASN 45 H ASN 45 -5.011 13.998 3.542 382 HA ASN 45 HA ASN 45 -7.620 14.038 4.609 383 HB2 ASN 45 2HB ASN 45 -7.025 13.288 2.294 384 HB3 ASN 45 1HB ASN 45 -6.324 11.855 3.051 385 HD21 ASN 45 1HD2 ASN 45 -7.765 10.599 1.733 386 HD22 ASN 45 2HD2 ASN 45 -9.419 10.421 2.181 387 H ASN 46 H ASN 46 -4.773 12.296 5.407 388 HA ASN 46 HA ASN 46 -4.141 10.953 7.095 389 HB2 ASN 46 2HB ASN 46 -5.149 12.777 8.466 390 HB3 ASN 46 1HB ASN 46 -6.680 11.927 8.452 391 HD21 ASN 46 1HD2 ASN 46 -6.971 10.227 9.855 392 HD22 ASN 46 2HD2 ASN 46 -5.825 9.800 11.081 393 H ARG 47 H ARG 47 -6.238 10.120 5.068 394 HA ARG 47 HA ARG 47 -7.160 7.735 6.463 395 HB2 ARG 47 2HB ARG 47 -7.900 8.725 3.718 396 HB3 ARG 47 1HB ARG 47 -8.540 7.290 4.490 397 HG2 ARG 47 2HG ARG 47 -9.448 8.713 6.295 398 HG3 ARG 47 1HG ARG 47 -8.916 10.127 5.386 399 HD2 ARG 47 2HD ARG 47 -10.287 9.370 3.493 400 HD3 ARG 47 1HD ARG 47 -10.843 8.025 4.482 401 HE ARG 47 HE ARG 47 -11.233 10.522 5.751 402 HH11 ARG 47 1HH1 ARG 47 -12.593 8.286 3.399 403 HH12 ARG 47 2HH1 ARG 47 -14.199 8.811 3.560 404 HH21 ARG 47 1HH2 ARG 47 -13.406 11.313 5.994 405 HH22 ARG 47 2HH2 ARG 47 -14.679 10.661 5.098 406 H GLN 48 H GLN 48 -6.761 5.679 5.610 407 HA GLN 48 HA GLN 48 -4.388 5.660 4.007 408 HB2 GLN 48 2HB GLN 48 -3.858 4.952 6.181 409 HB3 GLN 48 1HB GLN 48 -5.273 3.921 6.267 410 HG2 GLN 48 2HG GLN 48 -4.410 2.395 4.829 411 HG3 GLN 48 1HG GLN 48 -3.167 3.481 4.223 412 HE21 GLN 48 1HE2 GLN 48 -4.146 1.275 6.725 413 HE22 GLN 48 2HE2 GLN 48 -2.623 1.205 7.536 414 H VAL 49 H VAL 49 -4.468 4.808 2.185 415 HA VAL 49 HA VAL 49 -6.543 2.832 1.546 416 HB VAL 49 HB VAL 49 -6.440 3.653 -0.829 417 HG11 VAL 49 1HG1 VAL 49 -7.732 5.699 -0.480 418 HG12 VAL 49 2HG1 VAL 49 -7.185 5.764 1.195 419 HG13 VAL 49 3HG1 VAL 49 -8.218 4.440 0.657 420 HG21 VAL 49 3HG2 VAL 49 -4.814 5.910 0.355 421 HG22 VAL 49 1HG2 VAL 49 -5.429 5.837 -1.297 422 HG23 VAL 49 2HG2 VAL 49 -4.218 4.675 -0.756 423 H CYS 50 H CYS 50 -5.889 1.085 0.475 424 HA CYS 50 HA CYS 50 -3.157 0.374 0.606 425 HB2 CYS 50 2HB CYS 50 -5.489 -0.938 -0.751 426 HB3 CYS 50 1HB CYS 50 -3.937 -1.705 -0.619 427 H ILE 51 H ILE 51 -1.638 0.403 -0.863 428 HA ILE 51 HA ILE 51 -2.280 1.613 -3.438 429 HB ILE 51 HB ILE 51 0.445 1.815 -3.222 430 HG12 ILE 51 2HG1 ILE 51 -0.772 2.564 -0.574 431 HG13 ILE 51 1HG1 ILE 51 0.296 1.196 -0.831 432 HG21 ILE 51 1HG2 ILE 51 -1.663 3.845 -2.587 433 HG22 ILE 51 2HG2 ILE 51 -1.002 3.455 -4.178 434 HG23 ILE 51 3HG2 ILE 51 0.026 4.198 -2.949 435 HD11 ILE 51 3HD1 ILE 51 1.397 3.138 0.130 436 HD12 ILE 51 1HD1 ILE 51 1.030 4.060 -1.330 437 HD13 ILE 51 2HD1 ILE 51 2.083 2.633 -1.407 438 H ASP 52 H ASP 52 -1.445 0.923 -5.246 439 HA ASP 52 HA ASP 52 -1.065 -1.917 -5.354 440 HB2 ASP 52 2HB ASP 52 -2.508 -0.732 -6.958 441 HB3 ASP 52 1HB ASP 52 -1.115 0.162 -7.541 442 HA PRO 53 HA PRO 53 3.411 -1.751 -5.280 443 HB2 PRO 53 2HB PRO 53 3.923 -4.200 -6.332 444 HB3 PRO 53 1HB PRO 53 3.409 -3.931 -4.664 445 HG2 PRO 53 2HG PRO 53 1.762 -4.708 -7.039 446 HG3 PRO 53 1HG PRO 53 1.720 -5.383 -5.398 447 HD2 PRO 53 2HD PRO 53 -0.120 -3.628 -6.194 448 HD3 PRO 53 1HD PRO 53 0.542 -3.570 -4.553 449 H LYS 54 H LYS 54 1.687 -1.635 -8.212 450 HA LYS 54 HA LYS 54 4.061 -1.918 -9.820 451 HB2 LYS 54 2HB LYS 54 1.269 -1.073 -10.573 452 HB3 LYS 54 1HB LYS 54 2.605 -1.187 -11.717 453 HG2 LYS 54 2HG LYS 54 1.554 -3.458 -10.059 454 HG3 LYS 54 1HG LYS 54 1.090 -3.147 -11.734 455 HD2 LYS 54 2HD LYS 54 3.900 -3.658 -10.765 456 HD3 LYS 54 1HD LYS 54 2.858 -4.878 -11.504 457 HE2 LYS 54 2HE LYS 54 2.774 -3.544 -13.556 458 HE3 LYS 54 1HE LYS 54 3.790 -2.316 -12.808 459 HZ1 LYS 54 3HZ LYS 54 4.616 -5.123 -13.312 460 HZ2 LYS 54 1HZ LYS 54 5.562 -3.907 -12.645 461 HZ3 LYS 54 2HZ LYS 54 5.048 -3.779 -14.237 462 H LEU 55 H LEU 55 2.760 0.549 -7.961 463 HA LEU 55 HA LEU 55 3.576 2.765 -9.500 464 HB2 LEU 55 2HB LEU 55 3.415 2.483 -6.507 465 HB3 LEU 55 1HB LEU 55 3.610 4.005 -7.351 466 HG LEU 55 HG LEU 55 1.192 2.198 -7.471 467 HD11 LEU 55 1HD1 LEU 55 1.602 4.905 -6.215 468 HD12 LEU 55 2HD1 LEU 55 1.392 3.377 -5.360 469 HD13 LEU 55 3HD1 LEU 55 0.071 4.040 -6.322 470 HD21 LEU 55 3HD2 LEU 55 1.546 3.300 -9.595 471 HD22 LEU 55 1HD2 LEU 55 1.729 4.855 -8.779 472 HD23 LEU 55 2HD2 LEU 55 0.172 4.023 -8.762 473 H LYS 56 H LYS 56 5.455 3.421 -10.014 474 HA LYS 56 HA LYS 56 7.732 1.852 -9.401 475 HB2 LYS 56 2HB LYS 56 7.228 2.833 -11.636 476 HB3 LYS 56 1HB LYS 56 7.492 4.428 -10.985 477 HG2 LYS 56 2HG LYS 56 9.663 2.355 -11.008 478 HG3 LYS 56 1HG LYS 56 9.321 3.356 -12.415 479 HD2 LYS 56 2HD LYS 56 9.759 5.361 -11.046 480 HD3 LYS 56 1HD LYS 56 10.138 4.315 -9.670 481 HE2 LYS 56 2HE LYS 56 11.980 3.332 -10.852 482 HE3 LYS 56 1HE LYS 56 11.551 4.200 -12.323 483 HZ1 LYS 56 3HZ LYS 56 13.405 5.194 -11.166 484 HZ2 LYS 56 1HZ LYS 56 12.512 5.444 -9.786 485 HZ3 LYS 56 2HZ LYS 56 12.088 6.261 -11.205 486 H TRP 57 H TRP 57 6.518 4.898 -8.211 487 HA TRP 57 HA TRP 57 8.970 5.628 -6.974 488 HB2 TRP 57 2HB TRP 57 7.741 7.358 -5.757 489 HB3 TRP 57 1HB TRP 57 7.239 7.344 -7.433 490 HD1 TRP 57 HD TRP 57 4.628 7.110 -7.867 491 HE1 TRP 57 1HE TRP 57 2.563 6.910 -6.314 492 HE3 TRP 57 3HE TRP 57 7.007 6.216 -3.456 493 HZ2 TRP 57 2HZ TRP 57 2.041 6.425 -3.515 494 HZ3 TRP 57 3HZ TRP 57 5.690 5.902 -1.438 495 HH2 TRP 57 HH TRP 57 3.242 5.986 -1.494 496 H ILE 58 H ILE 58 6.516 3.429 -6.169 497 HA ILE 58 HA ILE 58 6.763 3.329 -3.335 498 HB ILE 58 HB ILE 58 5.668 1.497 -5.441 499 HG12 ILE 58 2HG1 ILE 58 4.366 3.477 -4.707 500 HG13 ILE 58 1HG1 ILE 58 3.500 1.995 -4.407 501 HG21 ILE 58 1HG2 ILE 58 5.718 0.787 -2.526 502 HG22 ILE 58 2HG2 ILE 58 6.647 -0.001 -3.808 503 HG23 ILE 58 3HG2 ILE 58 4.885 -0.069 -3.829 504 HD11 ILE 58 3HD1 ILE 58 5.034 3.567 -2.403 505 HD12 ILE 58 1HD1 ILE 58 4.187 2.050 -2.103 506 HD13 ILE 58 2HD1 ILE 58 3.298 3.502 -2.613 507 H GLN 59 H GLN 59 8.062 1.285 -5.898 508 HA GLN 59 HA GLN 59 9.348 -0.409 -4.051 509 HB2 GLN 59 2HB GLN 59 10.326 -1.490 -6.041 510 HB3 GLN 59 1HB GLN 59 8.590 -1.236 -6.117 511 HG2 GLN 59 2HG GLN 59 8.958 0.703 -7.571 512 HG3 GLN 59 1HG GLN 59 10.688 0.344 -7.562 513 HE21 GLN 59 1HE2 GLN 59 8.224 -2.107 -7.494 514 HE22 GLN 59 2HE2 GLN 59 8.508 -2.737 -9.053 515 H GLU 60 H GLU 60 10.253 2.384 -5.755 516 HA GLU 60 HA GLU 60 13.060 2.211 -5.388 517 HB2 GLU 60 2HB GLU 60 12.053 3.525 -7.185 518 HB3 GLU 60 1HB GLU 60 11.193 4.499 -6.017 519 HG2 GLU 60 2HG GLU 60 13.402 5.338 -5.219 520 HG3 GLU 60 1HG GLU 60 14.148 4.488 -6.575 521 H TYR 61 H TYR 61 10.531 2.967 -3.369 522 HA TYR 61 HA TYR 61 12.291 4.525 -1.632 523 HB2 TYR 61 2HB TYR 61 10.381 5.793 -2.421 524 HB3 TYR 61 1HB TYR 61 9.285 4.533 -1.889 525 HD1 TYR 61 2HD TYR 61 12.125 6.247 -0.219 526 HD2 TYR 61 1HD TYR 61 7.994 5.364 -0.236 527 HE1 TYR 61 2HE TYR 61 11.900 7.406 1.942 528 HE2 TYR 61 1HE TYR 61 7.708 6.502 1.920 529 HH TYR 61 HH TYR 61 10.243 8.462 3.239 530 H LEU 62 H LEU 62 9.532 2.373 -1.486 531 HA LEU 62 HA LEU 62 10.022 1.598 1.169 532 HB2 LEU 62 2HB LEU 62 8.288 0.566 -0.982 533 HB3 LEU 62 1HB LEU 62 8.386 -0.316 0.506 534 HG LEU 62 HG LEU 62 6.430 1.024 0.580 535 HD11 LEU 62 1HD1 LEU 62 7.687 0.984 2.661 536 HD12 LEU 62 2HD1 LEU 62 6.797 2.495 2.486 537 HD13 LEU 62 3HD1 LEU 62 8.513 2.465 2.180 538 HD21 LEU 62 3HD2 LEU 62 8.174 3.324 -0.247 539 HD22 LEU 62 1HD2 LEU 62 6.490 3.463 0.260 540 HD23 LEU 62 2HD2 LEU 62 6.896 2.556 -1.197 541 H GLU 63 H GLU 63 11.272 0.377 -1.836 542 HA GLU 63 HA GLU 63 11.916 -1.964 -0.289 543 HB2 GLU 63 2HB GLU 63 11.903 -1.738 -3.292 544 HB3 GLU 63 1HB GLU 63 12.524 -3.145 -2.429 545 HG2 GLU 63 2HG GLU 63 10.285 -3.384 -1.343 546 HG3 GLU 63 1HG GLU 63 9.699 -2.090 -2.386 547 H LYS 64 H LYS 64 13.237 0.740 -1.545 548 HA LYS 64 HA LYS 64 15.869 -0.381 -1.380 549 HB2 LYS 64 2HB LYS 64 15.405 1.179 -3.200 550 HB3 LYS 64 1HB LYS 64 14.975 2.431 -2.050 551 HG2 LYS 64 2HG LYS 64 17.311 2.414 -1.221 552 HG3 LYS 64 1HG LYS 64 17.711 1.230 -2.464 553 HD2 LYS 64 2HD LYS 64 16.658 4.022 -2.944 554 HD3 LYS 64 1HD LYS 64 18.326 3.499 -3.166 555 HE2 LYS 64 2HE LYS 64 17.584 1.921 -4.899 556 HE3 LYS 64 1HE LYS 64 15.923 2.462 -4.684 557 HZ1 LYS 64 3HZ LYS 64 18.190 4.129 -5.617 558 HZ2 LYS 64 1HZ LYS 64 16.633 4.691 -5.413 559 HZ3 LYS 64 2HZ LYS 64 16.955 3.526 -6.579 560 H ALA 65 H ALA 65 13.686 1.641 0.388 561 HA ALA 65 HA ALA 65 15.810 2.175 2.338 562 HB1 ALA 65 1HB ALA 65 14.452 4.103 1.629 563 HB2 ALA 65 2HB ALA 65 14.328 3.808 3.364 564 HB3 ALA 65 3HB ALA 65 13.020 3.320 2.287 565 H LEU 66 H LEU 66 12.640 0.626 2.175 566 HA LEU 66 HA LEU 66 12.965 -0.153 4.961 567 HB2 LEU 66 2HB LEU 66 10.631 -0.490 3.104 568 HB3 LEU 66 1HB LEU 66 10.701 -1.296 4.631 569 HG LEU 66 HG LEU 66 9.308 0.702 4.814 570 HD11 LEU 66 1HD1 LEU 66 10.351 1.774 6.725 571 HD12 LEU 66 2HD1 LEU 66 11.891 1.028 6.318 572 HD13 LEU 66 3HD1 LEU 66 10.518 0.020 6.781 573 HD21 LEU 66 3HD2 LEU 66 10.239 2.963 4.595 574 HD22 LEU 66 1HD2 LEU 66 10.341 2.091 3.068 575 HD23 LEU 66 2HD2 LEU 66 11.777 2.279 4.069 576 H ASN 67 H ASN 67 12.898 -1.690 1.793 577 HA ASN 67 HA ASN 67 12.989 -4.291 3.031 578 HB2 ASN 67 2HB ASN 67 12.027 -3.779 0.704 579 HB3 ASN 67 1HB ASN 67 13.694 -3.640 0.177 580 HD21 ASN 67 1HD2 ASN 67 11.268 -5.715 1.344 581 HD22 ASN 67 2HD2 ASN 67 12.004 -7.223 0.915 582 H LYS 68 H LYS 68 15.126 -2.202 1.230 583 HA LYS 68 HA LYS 68 17.309 -1.732 1.316 584 HB2 LYS 68 2HB LYS 68 16.619 -1.277 3.662 585 HB3 LYS 68 1HB LYS 68 17.142 -2.884 4.105 586 HG2 LYS 68 2HG LYS 68 19.435 -2.273 3.437 587 HG3 LYS 68 1HG LYS 68 18.865 -0.641 3.076 588 HD2 LYS 68 2HD LYS 68 18.011 -0.536 5.449 589 HD3 LYS 68 1HD LYS 68 18.875 -2.042 5.742 590 HE2 LYS 68 2HE LYS 68 20.233 -0.175 6.459 591 HE3 LYS 68 1HE LYS 68 20.968 -0.937 5.049 592 HZ1 LYS 68 3HZ LYS 68 20.976 1.485 4.869 593 HZ2 LYS 68 1HZ LYS 68 19.307 1.516 5.016 594 HZ3 LYS 68 2HZ LYS 68 20.010 0.822 3.663
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