NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621678 | 5x6t | 36062 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HN SER 1 8.385 9.601 12.442 2 HA SER 1 HA SER 1 8.434 10.880 9.981 3 HB2 SER 1 2HB SER 1 8.478 11.776 12.492 4 HB3 SER 1 3HB SER 1 10.198 11.940 12.138 5 HG SER 1 HG SER 1 8.351 13.633 11.513 6 H ASP 2 HN ASP 2 10.115 8.441 10.092 7 HA ASP 2 HA ASP 2 12.640 9.629 9.144 8 HB2 ASP 2 2HB ASP 2 12.238 6.918 10.427 9 HB3 ASP 2 3HB ASP 2 13.766 7.544 9.812 10 H ARG 3 HN ARG 3 9.865 8.069 8.227 11 HA ARG 3 HA ARG 3 9.228 7.384 6.124 12 HB2 ARG 3 2HB ARG 3 12.077 7.046 5.262 13 HB3 ARG 3 3HB ARG 3 10.668 7.471 4.300 14 HG2 ARG 3 2HG ARG 3 11.028 9.517 6.214 15 HG3 ARG 3 3HG ARG 3 12.601 9.180 5.489 16 HD2 ARG 3 2HD ARG 3 11.199 9.215 3.259 17 HD3 ARG 3 3HD ARG 3 10.097 10.189 4.231 18 HE ARG 3 HE ARG 3 12.586 11.017 3.140 19 HH11 ARG 3 1HH1 ARG 3 10.498 11.411 5.896 20 HH12 ARG 3 2HH1 ARG 3 11.077 13.001 6.272 21 HH21 ARG 3 1HH2 ARG 3 13.357 13.108 3.624 22 HH22 ARG 3 2HH2 ARG 3 12.703 13.966 4.978 23 H THR 4 HN THR 4 8.817 5.587 7.773 24 HA THR 4 HA THR 4 10.293 3.169 6.955 25 HB THR 4 HB THR 4 8.827 2.800 9.416 26 HG1 THR 4 1HG THR 4 10.961 4.592 9.768 27 HG21 THR 4 1HG2 THR 4 11.446 2.514 10.050 28 HG22 THR 4 2HG2 THR 4 11.510 2.320 8.298 29 HG23 THR 4 3HG2 THR 4 10.479 1.266 9.264 30 H CYS 5 HN CYS 5 9.144 1.380 6.351 31 HA CYS 5 HA CYS 5 6.764 1.546 5.080 32 HB2 CYS 5 2HB CYS 5 8.364 -0.446 5.224 33 HB3 CYS 5 3HB CYS 5 7.474 -0.915 6.670 34 H ALA 6 HN ALA 6 4.587 0.973 5.558 35 HA ALA 6 HA ALA 6 3.844 1.582 8.332 36 HB1 ALA 6 1HB ALA 6 1.757 1.505 6.245 37 HB2 ALA 6 2HB ALA 6 2.008 2.652 7.562 38 HB3 ALA 6 3HB ALA 6 2.974 2.773 6.091 39 H ARG 7 HN ARG 7 4.455 -1.074 6.636 40 HA ARG 7 HA ARG 7 2.279 -2.602 7.905 41 HB2 ARG 7 2HB ARG 7 3.703 -3.382 5.359 42 HB3 ARG 7 3HB ARG 7 2.301 -4.163 6.078 43 HG2 ARG 7 2HG ARG 7 2.424 -1.452 4.784 44 HG3 ARG 7 3HG ARG 7 1.553 -2.881 4.223 45 HD2 ARG 7 2HD ARG 7 0.882 -0.965 6.388 46 HD3 ARG 7 3HD ARG 7 -0.166 -1.748 5.206 47 HE ARG 7 HE ARG 7 0.543 -3.817 6.732 48 HH11 ARG 7 1HH1 ARG 7 -0.563 -0.625 7.574 49 HH12 ARG 7 2HH1 ARG 7 -1.316 -1.134 9.050 50 HH21 ARG 7 1HH2 ARG 7 -0.446 -4.499 8.672 51 HH22 ARG 7 2HH2 ARG 7 -1.248 -3.337 9.673 52 H CYS 8 HN CYS 8 5.676 -2.462 7.024 53 HA CYS 8 HA CYS 8 6.192 -4.679 8.898 54 HB2 CYS 8 2HB CYS 8 8.175 -5.235 7.580 55 HB3 CYS 8 3HB CYS 8 6.730 -5.293 6.576 56 H GLN 9 HN GLN 9 6.576 -1.405 8.303 57 HA GLN 9 HA GLN 9 7.805 0.257 9.255 58 HB2 GLN 9 2HB GLN 9 7.594 -1.837 11.342 59 HB3 GLN 9 3HB GLN 9 8.800 -0.585 11.611 60 HG2 GLN 9 2HG GLN 9 6.309 0.578 10.769 61 HG3 GLN 9 3HG GLN 9 6.070 -0.468 12.168 62 HE21 GLN 9 1HE2 GLN 9 8.674 1.712 11.136 63 HE22 GLN 9 2HE2 GLN 9 8.718 2.629 12.599 64 H GLU 10 HN GLU 10 9.241 -0.659 7.326 65 HA GLU 10 HA GLU 10 11.913 -1.208 8.440 66 HB2 GLU 10 2HB GLU 10 10.528 -2.219 6.002 67 HB3 GLU 10 3HB GLU 10 12.268 -1.976 5.923 68 HG2 GLU 10 2HG GLU 10 12.544 -3.445 7.872 69 HG3 GLU 10 3HG GLU 10 10.803 -3.721 7.889 70 H SER 11 HN SER 11 13.715 -0.193 7.418 71 HA SER 11 HA SER 11 13.398 2.526 6.918 72 HB2 SER 11 2HB SER 11 15.774 2.114 5.753 73 HB3 SER 11 3HB SER 11 15.567 2.077 7.505 74 HG SER 11 HG SER 11 15.898 -0.047 5.699 75 H LEU 12 HN LEU 12 13.073 3.742 5.140 76 HA LEU 12 HA LEU 12 12.377 2.337 2.678 77 HB2 LEU 12 2HB LEU 12 11.828 5.062 3.776 78 HB3 LEU 12 3HB LEU 12 11.668 4.763 2.047 79 HG LEU 12 HG LEU 12 9.613 4.584 3.706 80 HD11 LEU 12 1HD1 LEU 12 9.824 4.171 1.178 81 HD12 LEU 12 2HD1 LEU 12 8.479 3.424 2.040 82 HD13 LEU 12 3HD1 LEU 12 9.894 2.463 1.610 83 HD21 LEU 12 1HD2 LEU 12 10.844 2.811 5.034 84 HD22 LEU 12 2HD2 LEU 12 10.576 1.734 3.662 85 HD23 LEU 12 3HD2 LEU 12 9.200 2.414 4.534 86 H GLY 13 HN GLY 13 14.484 4.965 3.797 87 HA2 GLY 13 1HA GLY 13 16.155 6.115 2.662 88 HA3 GLY 13 2HA GLY 13 16.726 4.472 2.412 89 H ARG 14 HN ARG 14 16.999 3.828 0.381 90 HA ARG 14 HA ARG 14 16.307 5.581 -1.780 91 HB2 ARG 14 2HB ARG 14 17.620 2.866 -1.674 92 HB3 ARG 14 3HB ARG 14 17.310 3.716 -3.183 93 HG2 ARG 14 2HG ARG 14 18.696 5.586 -2.391 94 HG3 ARG 14 3HG ARG 14 19.043 4.680 -0.917 95 HD2 ARG 14 2HD ARG 14 19.607 2.929 -3.021 96 HD3 ARG 14 3HD ARG 14 20.261 4.488 -3.523 97 HE ARG 14 HE ARG 14 21.135 4.214 -0.967 98 HH11 ARG 14 1HH1 ARG 14 21.318 2.222 -3.816 99 HH12 ARG 14 2HH1 ARG 14 22.826 1.494 -3.370 100 HH21 ARG 14 1HH2 ARG 14 23.120 3.264 -0.368 101 HH22 ARG 14 2HH2 ARG 14 23.850 2.087 -1.408 102 H LEU 15 HN LEU 15 13.941 5.050 -0.730 103 HA LEU 15 HA LEU 15 12.742 2.925 -2.373 104 HB2 LEU 15 2HB LEU 15 12.239 3.941 0.315 105 HB3 LEU 15 3HB LEU 15 10.776 3.791 -0.657 106 HG LEU 15 HG LEU 15 11.669 1.823 0.878 107 HD11 LEU 15 1HD1 LEU 15 10.466 1.503 -1.866 108 HD12 LEU 15 2HD1 LEU 15 9.601 1.747 -0.350 109 HD13 LEU 15 3HD1 LEU 15 10.492 0.251 -0.625 110 HD21 LEU 15 1HD2 LEU 15 13.819 1.909 -0.627 111 HD22 LEU 15 2HD2 LEU 15 12.837 0.923 -1.711 112 HD23 LEU 15 3HD2 LEU 15 13.167 0.369 -0.068 113 H SER 16 HN SER 16 12.526 6.330 -1.513 114 HA SER 16 HA SER 16 11.779 8.086 -2.802 115 HB2 SER 16 2HB SER 16 12.069 6.260 -4.734 116 HB3 SER 16 3HB SER 16 10.308 6.353 -4.726 117 HG SER 16 HG SER 16 12.040 8.050 -5.814 118 HA PRO 17 HA PRO 17 7.834 7.342 -0.532 119 HB2 PRO 17 2HB PRO 17 7.990 9.629 0.921 120 HB3 PRO 17 3HB PRO 17 8.778 8.125 1.411 121 HG2 PRO 17 2HG PRO 17 9.946 10.513 0.035 122 HG3 PRO 17 3HG PRO 17 10.617 9.548 1.363 123 HD2 PRO 17 2HD PRO 17 11.405 9.235 -1.210 124 HD3 PRO 17 3HD PRO 17 11.361 7.888 -0.055 125 H LYS 18 HN LYS 18 8.928 9.372 -2.904 126 HA LYS 18 HA LYS 18 6.958 11.408 -2.916 127 HB2 LYS 18 2HB LYS 18 9.010 11.699 -4.157 128 HB3 LYS 18 3HB LYS 18 8.671 10.275 -5.133 129 HG2 LYS 18 2HG LYS 18 7.295 11.389 -6.511 130 HG3 LYS 18 3HG LYS 18 6.597 12.352 -5.207 131 HD2 LYS 18 2HD LYS 18 8.282 13.946 -5.315 132 HD3 LYS 18 3HD LYS 18 9.407 12.848 -6.117 133 HE2 LYS 18 2HE LYS 18 8.603 13.322 -8.166 134 HE3 LYS 18 3HE LYS 18 6.934 13.398 -7.605 135 HZ1 LYS 18 1HZ LYS 18 8.942 15.519 -7.762 136 HZ2 LYS 18 2HZ LYS 18 7.826 15.592 -6.494 137 HZ3 LYS 18 3HZ LYS 18 7.284 15.574 -8.096 138 H THR 19 HN THR 19 7.071 8.147 -4.179 139 HA THR 19 HA THR 19 4.237 8.394 -4.912 140 HB THR 19 HB THR 19 4.688 8.100 -7.073 141 HG1 THR 19 1HG THR 19 5.646 5.950 -7.624 142 HG21 THR 19 1HG2 THR 19 7.013 7.693 -7.899 143 HG22 THR 19 2HG2 THR 19 7.531 7.557 -6.218 144 HG23 THR 19 3HG2 THR 19 6.867 9.077 -6.817 145 H ASN 20 HN ASN 20 6.430 6.939 -2.998 146 HA ASN 20 HA ASN 20 5.316 4.251 -3.120 147 HB2 ASN 20 2HB ASN 20 7.520 5.473 -1.452 148 HB3 ASN 20 3HB ASN 20 6.978 3.806 -1.272 149 HD21 ASN 20 1HD2 ASN 20 9.053 3.082 -1.829 150 HD22 ASN 20 2HD2 ASN 20 9.598 3.087 -3.469 151 H THR 21 HN THR 21 3.426 6.165 -2.447 152 HA THR 21 HA THR 21 2.900 5.497 0.373 153 HB THR 21 HB THR 21 2.241 8.096 -1.024 154 HG1 THR 21 1HG THR 21 3.663 8.938 0.594 155 HG21 THR 21 1HG2 THR 21 1.384 8.791 1.205 156 HG22 THR 21 2HG2 THR 21 1.559 7.122 1.751 157 HG23 THR 21 3HG2 THR 21 0.428 7.514 0.456 158 H CYS 22 HN CYS 22 1.351 3.995 0.314 159 HA CYS 22 HA CYS 22 -0.380 3.254 -1.587 160 HB2 CYS 22 2HB CYS 22 -0.196 2.250 0.700 161 HB3 CYS 22 3HB CYS 22 -1.220 3.549 1.302 162 H ARG 23 HN ARG 23 -1.964 4.126 -2.745 163 HA ARG 23 HA ARG 23 -2.833 6.812 -2.222 164 HB2 ARG 23 2HB ARG 23 -4.331 5.285 -4.234 165 HB3 ARG 23 3HB ARG 23 -3.495 6.825 -4.378 166 HG2 ARG 23 2HG ARG 23 -1.365 5.254 -4.245 167 HG3 ARG 23 3HG ARG 23 -2.515 4.076 -4.879 168 HD2 ARG 23 2HD ARG 23 -2.092 6.795 -6.098 169 HD3 ARG 23 3HD ARG 23 -1.198 5.361 -6.603 170 HE ARG 23 HE ARG 23 -3.937 4.785 -6.695 171 HH11 ARG 23 1HH1 ARG 23 -1.579 6.774 -8.310 172 HH12 ARG 23 2HH1 ARG 23 -2.422 6.772 -9.824 173 HH21 ARG 23 1HH2 ARG 23 -5.055 4.774 -8.683 174 HH22 ARG 23 2HH2 ARG 23 -4.399 5.634 -10.035 175 H GLY 24 HN GLY 24 -3.724 3.953 -0.892 176 HA2 GLY 24 1HA GLY 24 -6.543 4.782 -0.589 177 HA3 GLY 24 2HA GLY 24 -5.983 3.121 -0.467 178 H CYS 25 HN CYS 25 -3.591 4.530 1.038 179 HA CYS 25 HA CYS 25 -4.979 4.725 3.630 180 HB2 CYS 25 2HB CYS 25 -2.371 3.334 2.999 181 HB3 CYS 25 3HB CYS 25 -2.916 3.686 4.635 182 H ASN 26 HN ASN 26 -2.355 5.794 1.575 183 HA ASN 26 HA ASN 26 -1.338 7.853 1.498 184 HB2 ASN 26 2HB ASN 26 -2.383 8.630 4.192 185 HB3 ASN 26 3HB ASN 26 -2.084 9.635 2.777 186 HD21 ASN 26 1HD2 ASN 26 -4.430 9.659 4.348 187 HD22 ASN 26 2HD2 ASN 26 -5.743 9.154 3.345 188 H HIS 27 HN HIS 27 -0.633 5.336 3.174 189 HA HIS 27 HA HIS 27 1.483 6.563 4.809 190 HB2 HIS 27 2HB HIS 27 0.336 3.766 4.930 191 HB3 HIS 27 3HB HIS 27 1.612 4.388 5.971 192 HD1 HIS 27 1HD HIS 27 0.405 7.104 6.731 193 HD2 HIS 27 2HD HIS 27 -1.735 3.544 6.679 194 HE1 HIS 27 1HE HIS 27 -1.539 7.466 8.285 195 H LEU 28 HN LEU 28 3.515 5.161 4.939 196 HA LEU 28 HA LEU 28 4.469 4.776 2.243 197 HB2 LEU 28 2HB LEU 28 5.765 4.647 4.950 198 HB3 LEU 28 3HB LEU 28 6.627 4.206 3.477 199 HG LEU 28 HG LEU 28 5.501 6.919 4.165 200 HD11 LEU 28 1HD1 LEU 28 7.874 5.738 4.935 201 HD12 LEU 28 2HD1 LEU 28 7.526 7.466 4.906 202 HD13 LEU 28 3HD1 LEU 28 8.323 6.704 3.530 203 HD21 LEU 28 1HD2 LEU 28 5.296 7.063 1.921 204 HD22 LEU 28 2HD2 LEU 28 6.414 5.732 1.622 205 HD23 LEU 28 3HD2 LEU 28 7.036 7.337 2.001 206 H VAL 29 HN VAL 29 5.370 2.865 1.406 207 HA VAL 29 HA VAL 29 5.144 0.392 2.885 208 HB VAL 29 HB VAL 29 3.814 -0.158 0.434 209 HG11 VAL 29 1HG1 VAL 29 2.430 -0.108 3.079 210 HG12 VAL 29 2HG1 VAL 29 2.342 -1.307 1.787 211 HG13 VAL 29 3HG1 VAL 29 3.772 -1.221 2.817 212 HG21 VAL 29 1HG2 VAL 29 2.368 1.936 2.047 213 HG22 VAL 29 2HG2 VAL 29 3.220 2.277 0.540 214 HG23 VAL 29 3HG2 VAL 29 1.842 1.177 0.544 215 H CYS 30 HN CYS 30 7.054 -0.497 2.472 216 HA CYS 30 HA CYS 30 8.806 0.092 0.445 217 HB2 CYS 30 2HB CYS 30 9.962 -1.967 0.978 218 HB3 CYS 30 3HB CYS 30 9.343 -1.255 2.465 219 H ARG 31 HN ARG 31 9.609 -1.749 -1.149 220 HA ARG 31 HA ARG 31 7.441 -2.102 -3.030 221 HB2 ARG 31 2HB ARG 31 9.230 -2.942 -4.540 222 HB3 ARG 31 3HB ARG 31 9.555 -1.336 -3.899 223 HG2 ARG 31 2HG ARG 31 11.062 -2.326 -2.230 224 HG3 ARG 31 3HG ARG 31 10.764 -3.918 -2.930 225 HD2 ARG 31 2HD ARG 31 11.489 -2.132 -5.023 226 HD3 ARG 31 3HD ARG 31 12.663 -1.966 -3.718 227 HE ARG 31 HE ARG 31 12.239 -4.691 -4.186 228 HH11 ARG 31 1HH1 ARG 31 13.615 -1.911 -5.764 229 HH12 ARG 31 2HH1 ARG 31 14.763 -2.833 -6.677 230 HH21 ARG 31 1HH2 ARG 31 13.744 -5.917 -5.382 231 HH22 ARG 31 2HH2 ARG 31 14.835 -5.113 -6.460 232 H ASP 32 HN ASP 32 7.698 -3.701 -0.467 233 HA ASP 32 HA ASP 32 7.477 -6.360 -1.714 234 HB2 ASP 32 2HB ASP 32 9.520 -5.936 -0.188 235 HB3 ASP 32 3HB ASP 32 8.359 -5.972 1.136 236 H CYS 33 HN CYS 33 6.007 -3.925 0.104 237 HA CYS 33 HA CYS 33 3.979 -5.773 1.165 238 HB2 CYS 33 2HB CYS 33 4.757 -2.964 1.945 239 HB3 CYS 33 3HB CYS 33 3.268 -3.720 2.506 240 H ARG 34 HN ARG 34 4.455 -4.245 -1.572 241 HA ARG 34 HA ARG 34 1.759 -3.100 -1.797 242 HB2 ARG 34 2HB ARG 34 3.433 -2.802 -4.149 243 HB3 ARG 34 3HB ARG 34 2.624 -1.572 -3.188 244 HG2 ARG 34 2HG ARG 34 4.473 -1.569 -1.607 245 HG3 ARG 34 3HG ARG 34 5.281 -2.832 -2.538 246 HD2 ARG 34 2HD ARG 34 4.565 -0.097 -3.588 247 HD3 ARG 34 3HD ARG 34 6.160 -0.566 -3.000 248 HE ARG 34 HE ARG 34 5.625 -2.409 -4.914 249 HH11 ARG 34 1HH1 ARG 34 5.598 1.072 -4.845 250 HH12 ARG 34 2HH1 ARG 34 6.019 1.238 -6.518 251 HH21 ARG 34 1HH2 ARG 34 6.180 -2.203 -7.117 252 HH22 ARG 34 2HH2 ARG 34 6.349 -0.625 -7.809 253 H ILE 35 HN ILE 35 0.280 -3.868 -3.249 254 HA ILE 35 HA ILE 35 0.994 -6.380 -4.614 255 HB ILE 35 HB ILE 35 -1.562 -5.492 -3.317 256 HG12 ILE 35 2HG1 ILE 35 -1.418 -7.761 -2.319 257 HG13 ILE 35 3HG1 ILE 35 0.085 -8.027 -3.196 258 HG21 ILE 35 1HG2 ILE 35 -2.562 -7.587 -4.365 259 HG22 ILE 35 2HG2 ILE 35 -2.375 -6.180 -5.409 260 HG23 ILE 35 3HG2 ILE 35 -1.226 -7.512 -5.513 261 HD11 ILE 35 1HD1 ILE 35 0.000 -5.613 -1.521 262 HD12 ILE 35 2HD1 ILE 35 -0.042 -7.153 -0.664 263 HD13 ILE 35 3HD1 ILE 35 1.290 -6.791 -1.761 264 H GLN 36 HN GLN 36 1.287 -6.044 -6.715 265 HA GLN 36 HA GLN 36 0.581 -3.883 -8.231 266 HB2 GLN 36 2HB GLN 36 1.522 -6.552 -8.733 267 HB3 GLN 36 3HB GLN 36 0.340 -6.104 -9.956 268 HG2 GLN 36 2HG GLN 36 2.507 -4.183 -9.276 269 HG3 GLN 36 3HG GLN 36 2.882 -5.584 -10.279 270 HE21 GLN 36 1HE2 GLN 36 0.407 -3.054 -10.006 271 HE22 GLN 36 2HE2 GLN 36 0.284 -2.753 -11.703 272 H GLU 37 HN GLU 37 -1.406 -3.007 -8.201 273 HA GLU 37 HA GLU 37 -3.793 -4.601 -8.195 274 HB2 GLU 37 2HB GLU 37 -3.291 -1.635 -8.415 275 HB3 GLU 37 3HB GLU 37 -4.905 -2.328 -8.496 276 HG2 GLU 37 2HG GLU 37 -3.405 -3.283 -6.204 277 HG3 GLU 37 3HG GLU 37 -3.577 -1.529 -6.221 278 H SER 38 HN SER 38 -5.170 -5.043 -9.848 279 HA SER 38 HA SER 38 -4.241 -5.297 -12.434 280 HB2 SER 38 2HB SER 38 -6.314 -6.132 -12.943 281 HB3 SER 38 3HB SER 38 -6.446 -6.160 -11.184 282 HG SER 38 HG SER 38 -8.173 -5.091 -12.569 283 H ASN 39 HN ASN 39 -5.411 -2.489 -10.847 284 HA ASN 39 HA ASN 39 -6.135 -1.050 -13.228 285 HB2 ASN 39 2HB ASN 39 -6.528 0.819 -11.787 286 HB3 ASN 39 3HB ASN 39 -7.105 -0.614 -10.942 287 HD21 ASN 39 1HD2 ASN 39 -6.861 1.101 -9.195 288 HD22 ASN 39 2HD2 ASN 39 -5.355 1.112 -8.349 289 H GLY 40 HN GLY 40 -4.924 1.460 -12.584 290 HA2 GLY 40 1HA GLY 40 -2.240 0.922 -13.641 291 HA3 GLY 40 2HA GLY 40 -3.104 2.447 -13.757 292 H THR 41 HN THR 41 -2.438 0.388 -10.941 293 HA THR 41 HA THR 41 -0.407 2.087 -9.896 294 HB THR 41 HB THR 41 -2.634 3.380 -9.545 295 HG1 THR 41 1HG THR 41 -0.397 3.428 -8.347 296 HG21 THR 41 1HG2 THR 41 -4.170 2.597 -8.107 297 HG22 THR 41 2HG2 THR 41 -2.947 2.032 -6.969 298 HG23 THR 41 3HG2 THR 41 -3.398 1.031 -8.349 299 H TRP 42 HN TRP 42 -0.929 1.614 -7.137 300 HA TRP 42 HA TRP 42 -1.169 -1.279 -6.875 301 HB2 TRP 42 2HB TRP 42 0.966 -1.477 -5.674 302 HB3 TRP 42 3HB TRP 42 1.212 -0.933 -7.331 303 HD1 TRP 42 1HD TRP 42 2.571 1.239 -7.652 304 HE1 TRP 42 1HE TRP 42 3.543 3.026 -6.076 305 HE3 TRP 42 3HE TRP 42 0.374 -0.252 -3.283 306 HZ2 TRP 42 2HZ TRP 42 3.399 3.712 -3.342 307 HZ3 TRP 42 3HZ TRP 42 0.845 1.023 -1.232 308 HH2 TRP 42 2HH TRP 42 2.327 2.964 -1.262 309 H ARG 43 HN ARG 43 -1.501 -1.988 -4.710 310 HA ARG 43 HA ARG 43 -1.996 0.127 -2.737 311 HB2 ARG 43 2HB ARG 43 -3.944 -1.983 -3.647 312 HB3 ARG 43 3HB ARG 43 -4.097 -1.179 -2.090 313 HG2 ARG 43 2HG ARG 43 -3.749 0.816 -4.075 314 HG3 ARG 43 3HG ARG 43 -4.993 -0.307 -4.629 315 HD2 ARG 43 2HD ARG 43 -5.017 0.784 -1.837 316 HD3 ARG 43 3HD ARG 43 -5.696 1.705 -3.178 317 HE ARG 43 HE ARG 43 -6.680 -0.991 -3.013 318 HH11 ARG 43 1HH1 ARG 43 -7.091 2.281 -1.896 319 HH12 ARG 43 2HH1 ARG 43 -8.766 2.074 -1.505 320 HH21 ARG 43 1HH2 ARG 43 -8.884 -1.274 -2.504 321 HH22 ARG 43 2HH2 ARG 43 -9.785 0.052 -1.851 322 H CYS 44 HN CYS 44 -1.379 -0.372 -0.711 323 HA CYS 44 HA CYS 44 0.391 -2.333 -0.095 324 HB2 CYS 44 2HB CYS 44 0.000 -1.888 2.205 325 HB3 CYS 44 3HB CYS 44 -0.340 -0.383 1.357 326 H LYS 45 HN LYS 45 0.122 -4.207 1.434 327 HA LYS 45 HA LYS 45 -1.581 -6.140 0.268 328 HB2 LYS 45 2HB LYS 45 -0.486 -6.608 2.993 329 HB3 LYS 45 3HB LYS 45 -0.501 -7.669 1.591 330 HG2 LYS 45 2HG LYS 45 1.230 -6.092 0.588 331 HG3 LYS 45 3HG LYS 45 1.385 -5.423 2.213 332 HD2 LYS 45 2HD LYS 45 2.963 -7.022 2.433 333 HD3 LYS 45 3HD LYS 45 1.573 -8.061 2.755 334 HE2 LYS 45 2HE LYS 45 1.619 -8.216 0.085 335 HE3 LYS 45 3HE LYS 45 3.330 -7.904 0.375 336 HZ1 LYS 45 1HZ LYS 45 2.633 -9.820 2.209 337 HZ2 LYS 45 2HZ LYS 45 3.515 -10.063 0.787 338 HZ3 LYS 45 3HZ LYS 45 1.839 -10.294 0.792 339 H VAL 46 HN VAL 46 -2.070 -3.833 2.744 340 HA VAL 46 HA VAL 46 -4.228 -5.262 4.037 341 HB VAL 46 HB VAL 46 -3.522 -2.348 4.370 342 HG11 VAL 46 1HG1 VAL 46 -4.593 -2.572 6.526 343 HG12 VAL 46 2HG1 VAL 46 -5.703 -3.096 5.257 344 HG13 VAL 46 3HG1 VAL 46 -4.863 -4.292 6.247 345 HG21 VAL 46 1HG2 VAL 46 -2.544 -4.320 6.337 346 HG22 VAL 46 2HG2 VAL 46 -1.719 -4.301 4.778 347 HG23 VAL 46 3HG2 VAL 46 -1.798 -2.832 5.752 348 H CYS 47 HN CYS 47 -3.839 -3.132 1.378 349 HA CYS 47 HA CYS 47 -6.691 -2.454 1.356 350 HB2 CYS 47 2HB CYS 47 -4.275 -1.325 -0.021 351 HB3 CYS 47 3HB CYS 47 -5.882 -1.033 -0.679 352 H ALA 48 HN ALA 48 -4.173 -3.763 -0.791 353 HA ALA 48 HA ALA 48 -5.931 -4.497 -2.876 354 HB1 ALA 48 1HB ALA 48 -3.390 -5.986 -2.411 355 HB2 ALA 48 2HB ALA 48 -4.100 -5.411 -3.920 356 HB3 ALA 48 3HB ALA 48 -3.325 -4.272 -2.820 357 H LYS 49 HN LYS 49 -5.336 -5.870 0.185 358 HA LYS 49 HA LYS 49 -5.685 -8.588 -0.227 359 HB2 LYS 49 2HB LYS 49 -5.657 -6.822 1.983 360 HB3 LYS 49 3HB LYS 49 -7.117 -7.791 2.129 361 HG2 LYS 49 2HG LYS 49 -5.179 -9.641 1.470 362 HG3 LYS 49 3HG LYS 49 -4.346 -8.525 2.555 363 HD2 LYS 49 2HD LYS 49 -6.289 -8.779 4.135 364 HD3 LYS 49 3HD LYS 49 -6.873 -10.077 3.091 365 HE2 LYS 49 2HE LYS 49 -4.228 -9.986 4.539 366 HE3 LYS 49 3HE LYS 49 -5.615 -10.992 4.954 367 HZ1 LYS 49 1HZ LYS 49 -4.979 -12.511 3.490 368 HZ2 LYS 49 2HZ LYS 49 -3.542 -11.648 3.269 369 HZ3 LYS 49 3HZ LYS 49 -4.859 -11.372 2.244 370 H GLU 50 HN GLU 50 -7.719 -9.801 0.604 371 HA GLU 50 HA GLU 50 -9.909 -8.979 -1.112 372 HB2 GLU 50 2HB GLU 50 -9.267 -11.297 -1.216 373 HB3 GLU 50 3HB GLU 50 -9.433 -11.470 0.526 374 HG2 GLU 50 2HG GLU 50 -11.842 -11.082 0.327 375 HG3 GLU 50 3HG GLU 50 -11.666 -10.942 -1.421 376 H ILE 51 HN ILE 51 -10.764 -7.193 -0.020 377 HA ILE 51 HA ILE 51 -12.780 -7.775 1.876 378 HB ILE 51 HB ILE 51 -10.840 -7.857 3.410 379 HG12 ILE 51 2HG1 ILE 51 -12.566 -5.422 3.897 380 HG13 ILE 51 3HG1 ILE 51 -13.116 -7.077 4.129 381 HG21 ILE 51 1HG2 ILE 51 -9.469 -6.208 2.135 382 HG22 ILE 51 2HG2 ILE 51 -10.493 -4.930 2.790 383 HG23 ILE 51 3HG2 ILE 51 -9.517 -5.920 3.874 384 HD11 ILE 51 1HD1 ILE 51 -12.517 -6.483 6.257 385 HD12 ILE 51 2HD1 ILE 51 -11.031 -7.242 5.684 386 HD13 ILE 51 3HD1 ILE 51 -11.168 -5.485 5.716 387 H GLU 52 HN GLU 52 -14.228 -6.085 2.120 388 HA GLU 52 HA GLU 52 -13.580 -3.621 0.639 389 HB2 GLU 52 2HB GLU 52 -16.010 -3.525 0.042 390 HB3 GLU 52 3HB GLU 52 -15.134 -4.862 -0.690 391 HG2 GLU 52 2HG GLU 52 -16.054 -6.406 0.906 392 HG3 GLU 52 3HG GLU 52 -16.831 -5.089 1.783 393 H LEU 53 HN LEU 53 -15.497 -1.952 1.200 394 HA LEU 53 HA LEU 53 -16.334 -0.512 2.747 395 HB2 LEU 53 2HB LEU 53 -17.686 -2.466 3.377 396 HB3 LEU 53 3HB LEU 53 -16.425 -2.962 4.502 397 HG LEU 53 HG LEU 53 -16.968 -1.337 6.038 398 HD11 LEU 53 1HD1 LEU 53 -18.299 0.218 3.826 399 HD12 LEU 53 2HD1 LEU 53 -16.738 0.574 4.563 400 HD13 LEU 53 3HD1 LEU 53 -18.214 0.709 5.518 401 HD21 LEU 53 1HD2 LEU 53 -19.719 -1.308 5.010 402 HD22 LEU 53 2HD2 LEU 53 -19.090 -1.859 6.564 403 HD23 LEU 53 3HD2 LEU 53 -18.993 -2.910 5.150 Start of MODEL 2 1 H1 SER 1 HN SER 1 8.939 10.529 12.534 2 HA SER 1 HA SER 1 7.742 10.287 10.404 3 HB2 SER 1 2HB SER 1 7.668 12.396 8.985 4 HB3 SER 1 3HB SER 1 6.586 12.372 10.377 5 HG SER 1 HG SER 1 9.151 13.439 10.701 6 H ASP 2 HN ASP 2 9.510 9.011 9.953 7 HA ASP 2 HA ASP 2 11.842 10.404 8.808 8 HB2 ASP 2 2HB ASP 2 11.787 8.551 10.903 9 HB3 ASP 2 3HB ASP 2 12.357 7.638 9.509 10 H ARG 3 HN ARG 3 9.165 8.598 8.076 11 HA ARG 3 HA ARG 3 8.465 7.827 6.024 12 HB2 ARG 3 2HB ARG 3 11.286 7.745 5.006 13 HB3 ARG 3 3HB ARG 3 9.792 7.990 4.111 14 HG2 ARG 3 2HG ARG 3 10.042 10.115 5.966 15 HG3 ARG 3 3HG ARG 3 11.588 9.929 5.135 16 HD2 ARG 3 2HD ARG 3 10.692 10.409 3.073 17 HD3 ARG 3 3HD ARG 3 9.075 9.876 3.536 18 HE ARG 3 HE ARG 3 10.110 12.510 3.724 19 HH11 ARG 3 1HH1 ARG 3 8.022 10.242 5.340 20 HH12 ARG 3 2HH1 ARG 3 7.047 11.468 6.080 21 HH21 ARG 3 1HH2 ARG 3 8.834 14.133 4.692 22 HH22 ARG 3 2HH2 ARG 3 7.509 13.680 5.710 23 H THR 4 HN THR 4 8.166 5.982 7.526 24 HA THR 4 HA THR 4 9.902 3.721 6.771 25 HB THR 4 HB THR 4 8.378 3.278 9.208 26 HG1 THR 4 1HG THR 4 8.690 5.363 9.781 27 HG21 THR 4 1HG2 THR 4 10.274 1.905 8.387 28 HG22 THR 4 2HG2 THR 4 10.516 2.499 10.029 29 HG23 THR 4 3HG2 THR 4 11.350 3.270 8.680 30 H CYS 5 HN CYS 5 8.926 1.745 6.318 31 HA CYS 5 HA CYS 5 6.502 1.771 4.981 32 HB2 CYS 5 2HB CYS 5 8.271 0.014 4.783 33 HB3 CYS 5 3HB CYS 5 7.741 -0.634 6.332 34 H ALA 6 HN ALA 6 4.418 1.066 5.476 35 HA ALA 6 HA ALA 6 3.695 1.376 8.283 36 HB1 ALA 6 1HB ALA 6 1.853 2.337 7.500 37 HB2 ALA 6 2HB ALA 6 2.503 2.146 5.872 38 HB3 ALA 6 3HB ALA 6 1.449 0.905 6.552 39 H ARG 7 HN ARG 7 4.787 -1.125 6.660 40 HA ARG 7 HA ARG 7 2.955 -3.022 7.969 41 HB2 ARG 7 2HB ARG 7 4.421 -3.707 5.438 42 HB3 ARG 7 3HB ARG 7 3.018 -4.494 6.145 43 HG2 ARG 7 2HG ARG 7 3.086 -1.800 4.806 44 HG3 ARG 7 3HG ARG 7 2.362 -3.281 4.176 45 HD2 ARG 7 2HD ARG 7 1.356 -1.381 6.187 46 HD3 ARG 7 3HD ARG 7 0.476 -2.397 5.045 47 HE ARG 7 HE ARG 7 1.006 -2.980 7.766 48 HH11 ARG 7 1HH1 ARG 7 0.785 -4.471 4.627 49 HH12 ARG 7 2HH1 ARG 7 0.339 -6.024 5.253 50 HH21 ARG 7 1HH2 ARG 7 0.421 -5.019 8.602 51 HH22 ARG 7 2HH2 ARG 7 0.132 -6.335 7.514 52 H CYS 8 HN CYS 8 6.229 -2.482 6.719 53 HA CYS 8 HA CYS 8 7.236 -4.588 8.494 54 HB2 CYS 8 2HB CYS 8 8.867 -3.093 6.452 55 HB3 CYS 8 3HB CYS 8 9.175 -4.678 7.153 56 H GLN 9 HN GLN 9 7.129 -1.172 8.082 57 HA GLN 9 HA GLN 9 7.839 0.550 9.390 58 HB2 GLN 9 2HB GLN 9 7.867 -1.759 11.181 59 HB3 GLN 9 3HB GLN 9 9.026 -0.521 11.643 60 HG2 GLN 9 2HG GLN 9 7.430 0.785 12.448 61 HG3 GLN 9 3HG GLN 9 6.482 0.650 10.967 62 HE21 GLN 9 1HE2 GLN 9 5.164 -1.304 10.733 63 HE22 GLN 9 2HE2 GLN 9 4.451 -1.993 12.147 64 H GLU 10 HN GLU 10 9.587 -0.754 7.446 65 HA GLU 10 HA GLU 10 12.233 -0.290 8.635 66 HB2 GLU 10 2HB GLU 10 11.222 -1.975 6.416 67 HB3 GLU 10 3HB GLU 10 12.806 -1.247 6.182 68 HG2 GLU 10 2HG GLU 10 13.616 -2.275 8.215 69 HG3 GLU 10 3HG GLU 10 12.017 -2.943 8.540 70 H SER 11 HN SER 11 13.620 1.237 7.844 71 HA SER 11 HA SER 11 12.701 3.605 6.848 72 HB2 SER 11 2HB SER 11 14.992 3.169 7.789 73 HB3 SER 11 3HB SER 11 15.444 2.490 6.225 74 HG SER 11 HG SER 11 16.034 4.633 6.228 75 H LEU 12 HN LEU 12 12.422 4.553 4.864 76 HA LEU 12 HA LEU 12 12.063 2.725 2.634 77 HB2 LEU 12 2HB LEU 12 11.258 5.543 3.215 78 HB3 LEU 12 3HB LEU 12 11.236 4.948 1.556 79 HG LEU 12 HG LEU 12 9.077 4.896 3.044 80 HD11 LEU 12 1HD1 LEU 12 8.909 4.117 0.862 81 HD12 LEU 12 2HD1 LEU 12 8.459 2.712 1.830 82 HD13 LEU 12 3HD1 LEU 12 10.074 2.820 1.129 83 HD21 LEU 12 1HD2 LEU 12 10.126 2.167 3.691 84 HD22 LEU 12 2HD2 LEU 12 8.758 3.032 4.391 85 HD23 LEU 12 3HD2 LEU 12 10.408 3.523 4.783 86 H GLY 13 HN GLY 13 14.766 3.521 3.590 87 HA2 GLY 13 1HA GLY 13 16.004 5.368 1.911 88 HA3 GLY 13 2HA GLY 13 16.806 3.989 2.648 89 H ARG 14 HN ARG 14 17.205 5.178 0.004 90 HA ARG 14 HA ARG 14 17.264 4.624 -2.228 91 HB2 ARG 14 2HB ARG 14 18.343 2.449 -0.591 92 HB3 ARG 14 3HB ARG 14 17.871 1.937 -2.206 93 HG2 ARG 14 2HG ARG 14 19.737 2.781 -3.034 94 HG3 ARG 14 3HG ARG 14 19.303 4.380 -2.428 95 HD2 ARG 14 2HD ARG 14 20.358 2.474 -0.437 96 HD3 ARG 14 3HD ARG 14 21.502 3.030 -1.657 97 HE ARG 14 HE ARG 14 20.057 5.195 -0.504 98 HH11 ARG 14 1HH1 ARG 14 22.699 2.995 0.043 99 HH12 ARG 14 2HH1 ARG 14 23.545 4.070 1.107 100 HH21 ARG 14 1HH2 ARG 14 21.161 6.619 0.894 101 HH22 ARG 14 2HH2 ARG 14 22.669 6.131 1.592 102 H LEU 15 HN LEU 15 14.615 4.327 -0.958 103 HA LEU 15 HA LEU 15 13.492 2.257 -2.730 104 HB2 LEU 15 2HB LEU 15 13.206 2.548 0.024 105 HB3 LEU 15 3HB LEU 15 11.694 3.152 -0.651 106 HG LEU 15 HG LEU 15 12.708 0.512 -1.585 107 HD11 LEU 15 1HD1 LEU 15 11.366 0.979 1.073 108 HD12 LEU 15 2HD1 LEU 15 12.985 0.332 0.808 109 HD13 LEU 15 3HD1 LEU 15 11.572 -0.593 0.301 110 HD21 LEU 15 1HD2 LEU 15 9.923 1.436 -0.913 111 HD22 LEU 15 2HD2 LEU 15 10.402 0.045 -1.886 112 HD23 LEU 15 3HD2 LEU 15 10.670 1.680 -2.493 113 H SER 16 HN SER 16 13.754 5.550 -2.170 114 HA SER 16 HA SER 16 12.758 7.393 -3.058 115 HB2 SER 16 2HB SER 16 12.326 5.260 -5.035 116 HB3 SER 16 3HB SER 16 11.184 6.597 -5.159 117 HG SER 16 HG SER 16 14.016 6.818 -5.136 118 HA PRO 17 HA PRO 17 8.836 6.388 -0.791 119 HB2 PRO 17 2HB PRO 17 9.104 8.387 1.026 120 HB3 PRO 17 3HB PRO 17 9.830 6.790 1.242 121 HG2 PRO 17 2HG PRO 17 11.090 9.326 0.272 122 HG3 PRO 17 3HG PRO 17 11.728 8.122 1.407 123 HD2 PRO 17 2HD PRO 17 12.481 8.218 -1.193 124 HD3 PRO 17 3HD PRO 17 12.388 6.698 -0.282 125 H LYS 18 HN LYS 18 10.014 8.767 -2.780 126 HA LYS 18 HA LYS 18 8.335 10.947 -2.473 127 HB2 LYS 18 2HB LYS 18 9.935 11.348 -4.064 128 HB3 LYS 18 3HB LYS 18 9.805 9.737 -4.758 129 HG2 LYS 18 2HG LYS 18 8.214 10.351 -6.228 130 HG3 LYS 18 3HG LYS 18 7.448 11.471 -5.098 131 HD2 LYS 18 2HD LYS 18 8.326 12.896 -6.700 132 HD3 LYS 18 3HD LYS 18 9.581 12.901 -5.459 133 HE2 LYS 18 2HE LYS 18 10.837 11.226 -6.723 134 HE3 LYS 18 3HE LYS 18 9.579 11.211 -7.959 135 HZ1 LYS 18 1HZ LYS 18 10.204 13.239 -8.754 136 HZ2 LYS 18 2HZ LYS 18 11.709 12.677 -8.227 137 HZ3 LYS 18 3HZ LYS 18 10.835 13.770 -7.277 138 H THR 19 HN THR 19 7.748 7.897 -4.162 139 HA THR 19 HA THR 19 4.880 8.521 -4.142 140 HB THR 19 HB THR 19 5.366 8.980 -6.395 141 HG1 THR 19 1HG THR 19 3.951 7.609 -7.181 142 HG21 THR 19 1HG2 THR 19 7.360 8.345 -7.181 143 HG22 THR 19 2HG2 THR 19 6.629 6.776 -7.517 144 HG23 THR 19 3HG2 THR 19 7.487 7.042 -6.000 145 H ASN 20 HN ASN 20 5.471 7.062 -2.181 146 HA ASN 20 HA ASN 20 4.895 4.300 -2.990 147 HB2 ASN 20 2HB ASN 20 6.918 5.129 -0.896 148 HB3 ASN 20 3HB ASN 20 6.394 3.474 -1.191 149 HD21 ASN 20 1HD2 ASN 20 9.043 4.250 -1.334 150 HD22 ASN 20 2HD2 ASN 20 9.580 4.121 -2.971 151 H THR 21 HN THR 21 3.592 6.811 -1.653 152 HA THR 21 HA THR 21 2.685 5.659 0.859 153 HB THR 21 HB THR 21 1.903 8.273 -0.448 154 HG1 THR 21 1HG THR 21 3.627 7.917 1.780 155 HG21 THR 21 1HG2 THR 21 1.003 8.880 1.717 156 HG22 THR 21 2HG2 THR 21 1.509 7.333 2.395 157 HG23 THR 21 3HG2 THR 21 0.246 7.386 1.166 158 H CYS 22 HN CYS 22 1.201 4.098 0.666 159 HA CYS 22 HA CYS 22 -0.475 3.488 -1.374 160 HB2 CYS 22 2HB CYS 22 -0.179 2.191 0.757 161 HB3 CYS 22 3HB CYS 22 -1.295 3.313 1.530 162 H ARG 23 HN ARG 23 -2.296 4.253 -2.274 163 HA ARG 23 HA ARG 23 -3.265 6.835 -1.408 164 HB2 ARG 23 2HB ARG 23 -4.738 5.508 -3.564 165 HB3 ARG 23 3HB ARG 23 -3.979 7.093 -3.529 166 HG2 ARG 23 2HG ARG 23 -1.770 5.903 -3.821 167 HG3 ARG 23 3HG ARG 23 -2.709 4.446 -4.160 168 HD2 ARG 23 2HD ARG 23 -2.758 7.047 -5.684 169 HD3 ARG 23 3HD ARG 23 -2.124 5.498 -6.240 170 HE ARG 23 HE ARG 23 -4.773 5.058 -5.614 171 HH11 ARG 23 1HH1 ARG 23 -2.981 7.085 -7.806 172 HH12 ARG 23 2HH1 ARG 23 -4.234 7.123 -9.002 173 HH21 ARG 23 1HH2 ARG 23 -6.430 5.101 -7.182 174 HH22 ARG 23 2HH2 ARG 23 -6.196 5.995 -8.645 175 H GLY 24 HN GLY 24 -3.908 3.777 -0.443 176 HA2 GLY 24 1HA GLY 24 -6.804 4.123 -0.193 177 HA3 GLY 24 2HA GLY 24 -5.900 2.663 0.176 178 H CYS 25 HN CYS 25 -3.942 3.725 1.862 179 HA CYS 25 HA CYS 25 -5.588 4.524 4.170 180 HB2 CYS 25 2HB CYS 25 -3.627 3.529 5.499 181 HB3 CYS 25 3HB CYS 25 -4.700 2.406 4.670 182 H ASN 26 HN ASN 26 -2.999 5.414 2.127 183 HA ASN 26 HA ASN 26 -1.873 7.406 1.979 184 HB2 ASN 26 2HB ASN 26 -2.844 8.252 4.689 185 HB3 ASN 26 3HB ASN 26 -2.463 9.246 3.287 186 HD21 ASN 26 1HD2 ASN 26 -4.788 9.586 4.706 187 HD22 ASN 26 2HD2 ASN 26 -6.132 9.108 3.731 188 H HIS 27 HN HIS 27 -0.982 4.927 3.344 189 HA HIS 27 HA HIS 27 1.110 6.081 5.068 190 HB2 HIS 27 2HB HIS 27 0.019 3.258 5.051 191 HB3 HIS 27 3HB HIS 27 1.304 3.851 6.100 192 HD1 HIS 27 1HD HIS 27 0.110 6.448 7.116 193 HD2 HIS 27 2HD HIS 27 -2.066 2.928 6.748 194 HE1 HIS 27 1HE HIS 27 -1.823 6.682 8.708 195 H LEU 28 HN LEU 28 3.233 5.067 4.948 196 HA LEU 28 HA LEU 28 4.054 4.703 2.233 197 HB2 LEU 28 2HB LEU 28 5.384 4.858 4.880 198 HB3 LEU 28 3HB LEU 28 6.265 4.069 3.573 199 HG LEU 28 HG LEU 28 5.201 6.892 3.484 200 HD11 LEU 28 1HD1 LEU 28 7.910 7.072 3.388 201 HD12 LEU 28 2HD1 LEU 28 7.687 5.743 4.526 202 HD13 LEU 28 3HD1 LEU 28 6.936 7.307 4.839 203 HD21 LEU 28 1HD2 LEU 28 6.517 5.105 1.529 204 HD22 LEU 28 2HD2 LEU 28 7.075 6.778 1.580 205 HD23 LEU 28 3HD2 LEU 28 5.373 6.423 1.275 206 H VAL 29 HN VAL 29 5.043 2.873 1.309 207 HA VAL 29 HA VAL 29 4.993 0.352 2.734 208 HB VAL 29 HB VAL 29 3.657 -0.081 0.214 209 HG11 VAL 29 1HG1 VAL 29 2.644 -1.697 1.397 210 HG12 VAL 29 2HG1 VAL 29 3.830 -1.299 2.640 211 HG13 VAL 29 3HG1 VAL 29 2.211 -0.603 2.710 212 HG21 VAL 29 1HG2 VAL 29 2.723 2.122 0.484 213 HG22 VAL 29 2HG2 VAL 29 1.480 0.924 0.848 214 HG23 VAL 29 3HG2 VAL 29 2.294 1.777 2.160 215 H CYS 30 HN CYS 30 6.837 -0.611 2.232 216 HA CYS 30 HA CYS 30 8.631 0.178 0.296 217 HB2 CYS 30 2HB CYS 30 9.721 -2.016 0.615 218 HB3 CYS 30 3HB CYS 30 9.266 -1.272 2.146 219 H ARG 31 HN ARG 31 9.465 -1.665 -1.365 220 HA ARG 31 HA ARG 31 7.350 -1.807 -3.342 221 HB2 ARG 31 2HB ARG 31 9.185 -2.637 -4.832 222 HB3 ARG 31 3HB ARG 31 9.479 -1.050 -4.134 223 HG2 ARG 31 2HG ARG 31 11.259 -1.751 -2.953 224 HG3 ARG 31 3HG ARG 31 10.540 -3.323 -2.600 225 HD2 ARG 31 2HD ARG 31 10.965 -3.926 -5.012 226 HD3 ARG 31 3HD ARG 31 11.916 -2.446 -5.128 227 HE ARG 31 HE ARG 31 13.016 -3.693 -3.007 228 HH11 ARG 31 1HH1 ARG 31 12.264 -4.740 -6.242 229 HH12 ARG 31 2HH1 ARG 31 13.563 -5.885 -6.313 230 HH21 ARG 31 1HH2 ARG 31 14.729 -5.197 -3.089 231 HH22 ARG 31 2HH2 ARG 31 14.964 -6.143 -4.518 232 H ASP 32 HN ASP 32 7.668 -3.608 -0.848 233 HA ASP 32 HA ASP 32 7.307 -6.154 -2.287 234 HB2 ASP 32 2HB ASP 32 9.395 -6.012 -0.864 235 HB3 ASP 32 3HB ASP 32 8.339 -5.894 0.539 236 H CYS 33 HN CYS 33 5.969 -3.829 -0.220 237 HA CYS 33 HA CYS 33 3.926 -5.684 0.778 238 HB2 CYS 33 2HB CYS 33 4.700 -2.887 1.609 239 HB3 CYS 33 3HB CYS 33 3.260 -3.700 2.213 240 H ARG 34 HN ARG 34 4.328 -4.142 -1.940 241 HA ARG 34 HA ARG 34 1.698 -2.859 -2.068 242 HB2 ARG 34 2HB ARG 34 3.509 -2.897 -4.425 243 HB3 ARG 34 3HB ARG 34 2.463 -1.614 -3.830 244 HG2 ARG 34 2HG ARG 34 4.029 -1.046 -2.112 245 HG3 ARG 34 3HG ARG 34 5.032 -2.443 -2.503 246 HD2 ARG 34 2HD ARG 34 5.697 -1.516 -4.564 247 HD3 ARG 34 3HD ARG 34 4.428 -0.293 -4.512 248 HE ARG 34 HE ARG 34 5.991 0.188 -2.309 249 HH11 ARG 34 1HH1 ARG 34 6.497 0.015 -5.748 250 HH12 ARG 34 2HH1 ARG 34 7.798 1.161 -5.746 251 HH21 ARG 34 1HH2 ARG 34 7.701 1.697 -2.292 252 HH22 ARG 34 2HH2 ARG 34 8.482 2.116 -3.779 253 H ILE 35 HN ILE 35 0.047 -3.627 -3.288 254 HA ILE 35 HA ILE 35 0.478 -6.232 -4.591 255 HB ILE 35 HB ILE 35 -1.827 -5.086 -3.088 256 HG12 ILE 35 2HG1 ILE 35 -1.933 -7.555 -2.398 257 HG13 ILE 35 3HG1 ILE 35 -0.401 -7.738 -3.245 258 HG21 ILE 35 1HG2 ILE 35 -2.036 -6.922 -5.446 259 HG22 ILE 35 2HG2 ILE 35 -3.208 -6.992 -4.131 260 HG23 ILE 35 3HG2 ILE 35 -3.005 -5.503 -5.053 261 HD11 ILE 35 1HD1 ILE 35 -0.457 -7.285 -0.682 262 HD12 ILE 35 2HD1 ILE 35 0.752 -6.500 -1.699 263 HD13 ILE 35 3HD1 ILE 35 -0.679 -5.609 -1.183 264 H GLN 36 HN GLN 36 0.766 -5.932 -6.710 265 HA GLN 36 HA GLN 36 0.011 -3.797 -8.265 266 HB2 GLN 36 2HB GLN 36 0.430 -6.695 -8.959 267 HB3 GLN 36 3HB GLN 36 0.050 -5.498 -10.189 268 HG2 GLN 36 2HG GLN 36 2.440 -5.896 -10.055 269 HG3 GLN 36 3HG GLN 36 2.044 -4.238 -9.605 270 HE21 GLN 36 1HE2 GLN 36 1.852 -3.812 -7.266 271 HE22 GLN 36 2HE2 GLN 36 2.929 -4.637 -6.197 272 H GLU 37 HN GLU 37 -1.964 -2.954 -8.413 273 HA GLU 37 HA GLU 37 -4.339 -4.556 -8.198 274 HB2 GLU 37 2HB GLU 37 -3.935 -1.633 -8.847 275 HB3 GLU 37 3HB GLU 37 -5.509 -2.388 -8.646 276 HG2 GLU 37 2HG GLU 37 -3.493 -2.634 -6.469 277 HG3 GLU 37 3HG GLU 37 -4.372 -1.119 -6.670 278 H SER 38 HN SER 38 -2.229 -4.158 -10.658 279 HA SER 38 HA SER 38 -2.321 -4.247 -12.945 280 HB2 SER 38 2HB SER 38 -4.319 -6.224 -11.930 281 HB3 SER 38 3HB SER 38 -4.223 -5.944 -13.668 282 HG SER 38 HG SER 38 -1.850 -6.283 -13.294 283 H ASN 39 HN ASN 39 -3.022 -1.962 -12.976 284 HA ASN 39 HA ASN 39 -5.162 -1.584 -14.768 285 HB2 ASN 39 2HB ASN 39 -6.441 -1.972 -12.628 286 HB3 ASN 39 3HB ASN 39 -5.712 -0.496 -12.002 287 HD21 ASN 39 1HD2 ASN 39 -6.668 1.376 -12.425 288 HD22 ASN 39 2HD2 ASN 39 -7.962 1.608 -13.546 289 H GLY 40 HN GLY 40 -2.947 -0.239 -12.411 290 HA2 GLY 40 1HA GLY 40 -1.531 1.459 -13.890 291 HA3 GLY 40 2HA GLY 40 -3.009 2.385 -13.677 292 H THR 41 HN THR 41 -3.146 0.896 -10.944 293 HA THR 41 HA THR 41 -1.206 2.621 -9.550 294 HB THR 41 HB THR 41 -3.600 3.451 -9.433 295 HG1 THR 41 1HG THR 41 -3.322 3.311 -6.881 296 HG21 THR 41 1HG2 THR 41 -4.794 1.380 -9.239 297 HG22 THR 41 2HG2 THR 41 -5.026 2.282 -7.740 298 HG23 THR 41 3HG2 THR 41 -3.888 0.936 -7.793 299 H TRP 42 HN TRP 42 -1.932 1.775 -6.951 300 HA TRP 42 HA TRP 42 -1.760 -1.092 -6.807 301 HB2 TRP 42 2HB TRP 42 0.434 -1.170 -5.699 302 HB3 TRP 42 3HB TRP 42 0.568 -0.563 -7.347 303 HD1 TRP 42 1HD TRP 42 1.543 1.840 -7.678 304 HE1 TRP 42 1HE TRP 42 2.537 3.597 -6.080 305 HE3 TRP 42 3HE TRP 42 0.153 -0.241 -3.219 306 HZ2 TRP 42 2HZ TRP 42 2.708 4.042 -3.298 307 HZ3 TRP 42 3HZ TRP 42 0.771 0.914 -1.136 308 HH2 TRP 42 2HH TRP 42 2.024 3.010 -1.177 309 H ARG 43 HN ARG 43 -1.717 -1.871 -4.571 310 HA ARG 43 HA ARG 43 -2.317 0.121 -2.525 311 HB2 ARG 43 2HB ARG 43 -4.234 -1.964 -3.521 312 HB3 ARG 43 3HB ARG 43 -4.310 -1.409 -1.853 313 HG2 ARG 43 2HG ARG 43 -4.252 0.665 -3.964 314 HG3 ARG 43 3HG ARG 43 -5.725 -0.295 -3.804 315 HD2 ARG 43 2HD ARG 43 -5.016 0.377 -1.195 316 HD3 ARG 43 3HD ARG 43 -4.721 1.840 -2.136 317 HE ARG 43 HE ARG 43 -6.974 2.126 -2.146 318 HH11 ARG 43 1HH1 ARG 43 -6.317 -1.291 -2.024 319 HH12 ARG 43 2HH1 ARG 43 -7.990 -1.744 -2.007 320 HH21 ARG 43 1HH2 ARG 43 -9.179 1.542 -2.124 321 HH22 ARG 43 2HH2 ARG 43 -9.617 -0.132 -2.064 322 H CYS 44 HN CYS 44 -1.539 -0.431 -0.575 323 HA CYS 44 HA CYS 44 0.302 -2.401 -0.172 324 HB2 CYS 44 2HB CYS 44 0.071 -2.032 2.189 325 HB3 CYS 44 3HB CYS 44 -0.200 -0.494 1.376 326 H LYS 45 HN LYS 45 0.093 -4.238 1.494 327 HA LYS 45 HA LYS 45 -1.754 -6.145 0.428 328 HB2 LYS 45 2HB LYS 45 -0.354 -6.789 2.951 329 HB3 LYS 45 3HB LYS 45 -0.475 -7.714 1.459 330 HG2 LYS 45 2HG LYS 45 1.121 -5.913 0.504 331 HG3 LYS 45 3HG LYS 45 1.465 -5.569 2.200 332 HD2 LYS 45 2HD LYS 45 3.054 -7.156 1.858 333 HD3 LYS 45 3HD LYS 45 1.711 -8.227 2.259 334 HE2 LYS 45 2HE LYS 45 1.222 -8.435 -0.163 335 HE3 LYS 45 3HE LYS 45 2.655 -7.466 -0.503 336 HZ1 LYS 45 1HZ LYS 45 4.004 -9.189 -0.115 337 HZ2 LYS 45 2HZ LYS 45 2.629 -10.146 -0.338 338 HZ3 LYS 45 3HZ LYS 45 3.125 -9.730 1.225 339 H VAL 46 HN VAL 46 -2.023 -3.782 2.786 340 HA VAL 46 HA VAL 46 -3.941 -5.250 4.423 341 HB VAL 46 HB VAL 46 -3.208 -2.344 4.720 342 HG11 VAL 46 1HG1 VAL 46 -5.102 -2.895 6.015 343 HG12 VAL 46 2HG1 VAL 46 -4.399 -4.428 6.532 344 HG13 VAL 46 3HG1 VAL 46 -3.739 -2.905 7.132 345 HG21 VAL 46 1HG2 VAL 46 -1.785 -4.749 5.853 346 HG22 VAL 46 2HG2 VAL 46 -1.127 -3.565 4.725 347 HG23 VAL 46 3HG2 VAL 46 -1.521 -3.086 6.376 348 H CYS 47 HN CYS 47 -3.866 -3.063 1.777 349 HA CYS 47 HA CYS 47 -6.686 -2.348 2.138 350 HB2 CYS 47 2HB CYS 47 -4.481 -1.252 0.408 351 HB3 CYS 47 3HB CYS 47 -6.169 -0.871 0.084 352 H ALA 48 HN ALA 48 -4.482 -3.823 -0.212 353 HA ALA 48 HA ALA 48 -6.467 -4.417 -2.144 354 HB1 ALA 48 1HB ALA 48 -4.177 -6.229 -2.104 355 HB2 ALA 48 2HB ALA 48 -4.750 -5.149 -3.376 356 HB3 ALA 48 3HB ALA 48 -3.733 -4.522 -2.078 357 H LYS 49 HN LYS 49 -5.472 -5.958 0.788 358 HA LYS 49 HA LYS 49 -6.211 -8.595 0.357 359 HB2 LYS 49 2HB LYS 49 -5.562 -6.957 2.589 360 HB3 LYS 49 3HB LYS 49 -7.031 -7.838 2.988 361 HG2 LYS 49 2HG LYS 49 -5.391 -9.749 1.834 362 HG3 LYS 49 3HG LYS 49 -4.299 -8.769 2.816 363 HD2 LYS 49 2HD LYS 49 -6.472 -9.097 4.465 364 HD3 LYS 49 3HD LYS 49 -6.381 -10.648 3.630 365 HE2 LYS 49 2HE LYS 49 -4.395 -11.198 4.582 366 HE3 LYS 49 3HE LYS 49 -3.835 -9.527 4.637 367 HZ1 LYS 49 1HZ LYS 49 -4.192 -9.944 6.838 368 HZ2 LYS 49 2HZ LYS 49 -5.486 -10.996 6.564 369 HZ3 LYS 49 3HZ LYS 49 -5.709 -9.326 6.419 370 H GLU 50 HN GLU 50 -8.239 -6.038 1.810 371 HA GLU 50 HA GLU 50 -10.543 -6.660 0.343 372 HB2 GLU 50 2HB GLU 50 -10.205 -8.721 1.926 373 HB3 GLU 50 3HB GLU 50 -10.857 -7.646 3.155 374 HG2 GLU 50 2HG GLU 50 -12.876 -7.335 1.831 375 HG3 GLU 50 3HG GLU 50 -12.222 -8.388 0.577 376 H ILE 51 HN ILE 51 -9.835 -4.282 0.573 377 HA ILE 51 HA ILE 51 -10.115 -2.719 2.789 378 HB ILE 51 HB ILE 51 -10.049 -2.257 0.017 379 HG12 ILE 51 2HG1 ILE 51 -8.610 -1.160 1.622 380 HG13 ILE 51 3HG1 ILE 51 -9.507 0.070 0.738 381 HG21 ILE 51 1HG2 ILE 51 -11.676 -0.497 -0.330 382 HG22 ILE 51 2HG2 ILE 51 -12.495 -1.996 0.108 383 HG23 ILE 51 3HG2 ILE 51 -12.298 -0.718 1.305 384 HD11 ILE 51 1HD1 ILE 51 -10.974 -0.657 3.070 385 HD12 ILE 51 2HD1 ILE 51 -9.310 -0.278 3.517 386 HD13 ILE 51 3HD1 ILE 51 -10.276 0.901 2.631 387 H GLU 52 HN GLU 52 -12.639 -4.319 1.002 388 HA GLU 52 HA GLU 52 -14.518 -4.049 3.084 389 HB2 GLU 52 2HB GLU 52 -14.414 -1.846 1.252 390 HB3 GLU 52 3HB GLU 52 -15.941 -2.693 1.047 391 HG2 GLU 52 2HG GLU 52 -15.826 -2.554 3.735 392 HG3 GLU 52 3HG GLU 52 -14.956 -1.084 3.300 393 H LEU 53 HN LEU 53 -16.643 -4.967 2.504 394 HA LEU 53 HA LEU 53 -16.295 -7.073 0.515 395 HB2 LEU 53 2HB LEU 53 -18.207 -8.130 1.560 396 HB3 LEU 53 3HB LEU 53 -16.995 -7.701 2.766 397 HG LEU 53 HG LEU 53 -18.598 -5.539 2.917 398 HD11 LEU 53 1HD1 LEU 53 -20.247 -7.791 1.862 399 HD12 LEU 53 2HD1 LEU 53 -20.324 -6.068 1.490 400 HD13 LEU 53 3HD1 LEU 53 -20.943 -6.666 3.030 401 HD21 LEU 53 1HD2 LEU 53 -19.815 -7.156 4.707 402 HD22 LEU 53 2HD2 LEU 53 -18.232 -6.419 4.956 403 HD23 LEU 53 3HD2 LEU 53 -18.351 -8.081 4.375 Start of MODEL 3 1 H1 SER 1 HN SER 1 8.117 9.422 11.456 2 HA SER 1 HA SER 1 8.284 11.731 9.672 3 HB2 SER 1 2HB SER 1 8.529 12.911 11.560 4 HB3 SER 1 3HB SER 1 8.341 11.416 12.477 5 HG SER 1 HG SER 1 10.303 12.455 12.982 6 H ASP 2 HN ASP 2 9.763 8.846 9.867 7 HA ASP 2 HA ASP 2 12.351 9.938 8.976 8 HB2 ASP 2 2HB ASP 2 11.723 7.555 10.687 9 HB3 ASP 2 3HB ASP 2 13.189 7.575 9.712 10 H ARG 3 HN ARG 3 9.593 8.334 8.052 11 HA ARG 3 HA ARG 3 9.029 7.527 5.972 12 HB2 ARG 3 2HB ARG 3 11.917 7.164 5.248 13 HB3 ARG 3 3HB ARG 3 10.543 7.479 4.197 14 HG2 ARG 3 2HG ARG 3 10.747 9.681 5.937 15 HG3 ARG 3 3HG ARG 3 12.378 9.322 5.368 16 HD2 ARG 3 2HD ARG 3 11.202 9.149 3.037 17 HD3 ARG 3 3HD ARG 3 9.956 10.121 3.818 18 HE ARG 3 HE ARG 3 12.500 11.015 2.919 19 HH11 ARG 3 1HH1 ARG 3 10.104 11.489 5.400 20 HH12 ARG 3 2HH1 ARG 3 10.552 13.136 5.701 21 HH21 ARG 3 1HH2 ARG 3 13.098 13.183 3.306 22 HH22 ARG 3 2HH2 ARG 3 12.254 14.099 4.508 23 H THR 4 HN THR 4 8.555 5.826 7.701 24 HA THR 4 HA THR 4 10.100 3.380 7.140 25 HB THR 4 HB THR 4 8.369 3.162 9.454 26 HG1 THR 4 1HG THR 4 10.207 5.317 9.328 27 HG21 THR 4 1HG2 THR 4 11.366 2.975 9.123 28 HG22 THR 4 2HG2 THR 4 10.222 1.645 8.938 29 HG23 THR 4 3HG2 THR 4 10.443 2.406 10.513 30 H CYS 5 HN CYS 5 9.014 1.487 6.652 31 HA CYS 5 HA CYS 5 6.658 1.671 5.182 32 HB2 CYS 5 2HB CYS 5 8.379 -0.179 5.092 33 HB3 CYS 5 3HB CYS 5 7.645 -0.832 6.553 34 H ALA 6 HN ALA 6 4.520 1.184 5.594 35 HA ALA 6 HA ALA 6 3.701 1.485 8.364 36 HB1 ALA 6 1HB ALA 6 2.531 2.010 5.764 37 HB2 ALA 6 2HB ALA 6 1.405 1.196 6.849 38 HB3 ALA 6 3HB ALA 6 2.156 2.715 7.336 39 H ARG 7 HN ARG 7 4.603 -1.076 6.577 40 HA ARG 7 HA ARG 7 2.714 -2.879 7.941 41 HB2 ARG 7 2HB ARG 7 4.095 -3.568 5.357 42 HB3 ARG 7 3HB ARG 7 2.706 -4.352 6.097 43 HG2 ARG 7 2HG ARG 7 2.788 -1.657 4.764 44 HG3 ARG 7 3HG ARG 7 1.942 -3.107 4.218 45 HD2 ARG 7 2HD ARG 7 1.239 -1.185 6.369 46 HD3 ARG 7 3HD ARG 7 0.205 -1.985 5.187 47 HE ARG 7 HE ARG 7 0.936 -4.040 6.724 48 HH11 ARG 7 1HH1 ARG 7 -0.214 -0.859 7.550 49 HH12 ARG 7 2HH1 ARG 7 -0.965 -1.371 9.025 50 HH21 ARG 7 1HH2 ARG 7 -0.050 -4.726 8.663 51 HH22 ARG 7 2HH2 ARG 7 -0.871 -3.570 9.657 52 H CYS 8 HN CYS 8 6.010 -2.300 6.877 53 HA CYS 8 HA CYS 8 6.928 -4.613 8.438 54 HB2 CYS 8 2HB CYS 8 8.466 -2.928 6.451 55 HB3 CYS 8 3HB CYS 8 9.037 -4.400 7.231 56 H GLN 9 HN GLN 9 6.955 -1.154 8.298 57 HA GLN 9 HA GLN 9 7.696 0.439 9.743 58 HB2 GLN 9 2HB GLN 9 7.510 -1.989 11.428 59 HB3 GLN 9 3HB GLN 9 8.480 -0.671 12.070 60 HG2 GLN 9 2HG GLN 9 6.662 0.409 12.706 61 HG3 GLN 9 3HG GLN 9 6.030 0.383 11.061 62 HE21 GLN 9 1HE2 GLN 9 4.832 -1.518 10.402 63 HE22 GLN 9 2HE2 GLN 9 3.920 -2.393 11.579 64 H GLU 10 HN GLU 10 9.525 -0.711 7.888 65 HA GLU 10 HA GLU 10 12.056 -0.515 9.383 66 HB2 GLU 10 2HB GLU 10 11.162 -2.299 7.241 67 HB3 GLU 10 3HB GLU 10 12.722 -1.555 6.920 68 HG2 GLU 10 2HG GLU 10 12.718 -2.448 9.610 69 HG3 GLU 10 3HG GLU 10 12.118 -3.758 8.593 70 H SER 11 HN SER 11 13.801 0.630 8.386 71 HA SER 11 HA SER 11 13.164 3.139 7.419 72 HB2 SER 11 2HB SER 11 15.322 3.000 8.261 73 HB3 SER 11 3HB SER 11 15.674 1.503 7.399 74 HG SER 11 HG SER 11 16.497 3.773 6.664 75 H LEU 12 HN LEU 12 12.953 4.069 5.435 76 HA LEU 12 HA LEU 12 12.484 2.255 3.209 77 HB2 LEU 12 2HB LEU 12 11.843 5.121 3.769 78 HB3 LEU 12 3HB LEU 12 11.787 4.509 2.117 79 HG LEU 12 HG LEU 12 9.681 4.554 3.829 80 HD11 LEU 12 1HD1 LEU 12 8.537 3.405 2.178 81 HD12 LEU 12 2HD1 LEU 12 9.910 2.363 1.805 82 HD13 LEU 12 3HD1 LEU 12 9.923 4.054 1.303 83 HD21 LEU 12 1HD2 LEU 12 10.670 1.710 3.876 84 HD22 LEU 12 2HD2 LEU 12 9.235 2.370 4.660 85 HD23 LEU 12 3HD2 LEU 12 10.840 2.825 5.231 86 H GLY 13 HN GLY 13 14.643 4.871 4.139 87 HA2 GLY 13 1HA GLY 13 16.472 5.793 3.073 88 HA3 GLY 13 2HA GLY 13 16.844 4.109 2.737 89 H ARG 14 HN ARG 14 17.371 3.847 0.680 90 HA ARG 14 HA ARG 14 16.440 5.665 -1.352 91 HB2 ARG 14 2HB ARG 14 18.554 3.704 -1.067 92 HB3 ARG 14 3HB ARG 14 17.726 3.525 -2.607 93 HG2 ARG 14 2HG ARG 14 18.065 6.201 -2.543 94 HG3 ARG 14 3HG ARG 14 19.485 5.668 -1.642 95 HD2 ARG 14 2HD ARG 14 19.535 3.932 -3.708 96 HD3 ARG 14 3HD ARG 14 18.804 5.333 -4.489 97 HE ARG 14 HE ARG 14 21.520 5.032 -3.792 98 HH11 ARG 14 1HH1 ARG 14 18.964 7.396 -3.808 99 HH12 ARG 14 2HH1 ARG 14 20.036 8.747 -3.966 100 HH21 ARG 14 1HH2 ARG 14 22.943 6.803 -4.000 101 HH22 ARG 14 2HH2 ARG 14 22.299 8.409 -4.076 102 H LEU 15 HN LEU 15 14.144 5.126 -1.042 103 HA LEU 15 HA LEU 15 13.402 2.766 -2.637 104 HB2 LEU 15 2HB LEU 15 12.757 3.307 0.065 105 HB3 LEU 15 3HB LEU 15 11.279 3.498 -0.877 106 HG LEU 15 HG LEU 15 12.901 1.039 -1.299 107 HD11 LEU 15 1HD1 LEU 15 12.202 1.802 1.281 108 HD12 LEU 15 2HD1 LEU 15 12.633 0.182 0.733 109 HD13 LEU 15 3HD1 LEU 15 10.940 0.672 0.789 110 HD21 LEU 15 1HD2 LEU 15 10.960 0.180 -2.100 111 HD22 LEU 15 2HD2 LEU 15 10.618 1.887 -2.380 112 HD23 LEU 15 3HD2 LEU 15 9.959 1.077 -0.958 113 H SER 16 HN SER 16 12.816 6.097 -1.797 114 HA SER 16 HA SER 16 11.924 7.766 -3.106 115 HB2 SER 16 2HB SER 16 12.350 5.913 -5.007 116 HB3 SER 16 3HB SER 16 10.588 5.923 -5.016 117 HG SER 16 HG SER 16 12.252 7.687 -6.107 118 HA PRO 17 HA PRO 17 8.048 6.729 -0.832 119 HB2 PRO 17 2HB PRO 17 8.010 9.043 0.588 120 HB3 PRO 17 3HB PRO 17 8.919 7.615 1.100 121 HG2 PRO 17 2HG PRO 17 9.887 10.073 -0.309 122 HG3 PRO 17 3HG PRO 17 10.633 9.187 1.033 123 HD2 PRO 17 2HD PRO 17 11.451 8.904 -1.532 124 HD3 PRO 17 3HD PRO 17 11.517 7.575 -0.358 125 H LYS 18 HN LYS 18 9.058 9.050 -3.073 126 HA LYS 18 HA LYS 18 6.781 10.737 -3.141 127 HB2 LYS 18 2HB LYS 18 8.991 11.295 -4.150 128 HB3 LYS 18 3HB LYS 18 8.691 10.088 -5.393 129 HG2 LYS 18 2HG LYS 18 8.220 12.414 -6.105 130 HG3 LYS 18 3HG LYS 18 6.835 11.329 -6.246 131 HD2 LYS 18 2HD LYS 18 5.810 12.238 -4.312 132 HD3 LYS 18 3HD LYS 18 7.281 13.100 -3.853 133 HE2 LYS 18 2HE LYS 18 7.066 14.551 -5.783 134 HE3 LYS 18 3HE LYS 18 5.653 13.650 -6.332 135 HZ1 LYS 18 1HZ LYS 18 4.343 14.810 -4.990 136 HZ2 LYS 18 2HZ LYS 18 5.644 15.852 -4.709 137 HZ3 LYS 18 3HZ LYS 18 5.346 14.567 -3.650 138 H THR 19 HN THR 19 7.086 7.509 -3.855 139 HA THR 19 HA THR 19 4.531 7.499 -5.241 140 HB THR 19 HB THR 19 5.184 6.691 -7.235 141 HG1 THR 19 1HG THR 19 7.500 5.356 -6.607 142 HG21 THR 19 1HG2 THR 19 7.505 7.305 -7.910 143 HG22 THR 19 2HG2 THR 19 7.852 7.676 -6.221 144 HG23 THR 19 3HG2 THR 19 6.636 8.606 -7.097 145 H ASN 20 HN ASN 20 6.045 6.534 -2.706 146 HA ASN 20 HA ASN 20 5.115 3.740 -2.822 147 HB2 ASN 20 2HB ASN 20 7.152 4.873 -0.896 148 HB3 ASN 20 3HB ASN 20 6.751 3.177 -1.153 149 HD21 ASN 20 1HD2 ASN 20 9.284 3.608 -1.297 150 HD22 ASN 20 2HD2 ASN 20 9.871 3.682 -2.921 151 H THR 21 HN THR 21 3.571 6.195 -2.211 152 HA THR 21 HA THR 21 2.853 5.654 0.593 153 HB THR 21 HB THR 21 2.248 8.093 -1.091 154 HG1 THR 21 1HG THR 21 3.738 9.087 0.344 155 HG21 THR 21 1HG2 THR 21 1.468 9.056 1.073 156 HG22 THR 21 2HG2 THR 21 1.605 7.450 1.788 157 HG23 THR 21 3HG2 THR 21 0.458 7.737 0.480 158 H CYS 22 HN CYS 22 1.320 4.113 0.589 159 HA CYS 22 HA CYS 22 -0.459 3.365 -1.307 160 HB2 CYS 22 2HB CYS 22 -0.174 2.274 0.913 161 HB3 CYS 22 3HB CYS 22 -1.129 3.564 1.636 162 H ARG 23 HN ARG 23 -2.216 4.156 -2.284 163 HA ARG 23 HA ARG 23 -3.042 6.854 -1.701 164 HB2 ARG 23 2HB ARG 23 -4.650 5.307 -3.617 165 HB3 ARG 23 3HB ARG 23 -3.879 6.877 -3.801 166 HG2 ARG 23 2HG ARG 23 -1.683 5.490 -3.911 167 HG3 ARG 23 3HG ARG 23 -2.769 4.153 -4.298 168 HD2 ARG 23 2HD ARG 23 -2.336 4.928 -6.403 169 HD3 ARG 23 3HD ARG 23 -3.754 5.899 -6.008 170 HE ARG 23 HE ARG 23 -2.425 7.778 -5.943 171 HH11 ARG 23 1HH1 ARG 23 -0.438 4.924 -6.105 172 HH12 ARG 23 2HH1 ARG 23 1.024 5.800 -6.413 173 HH21 ARG 23 1HH2 ARG 23 -0.506 8.943 -6.348 174 HH22 ARG 23 2HH2 ARG 23 0.985 8.087 -6.550 175 H GLY 24 HN GLY 24 -3.960 3.785 -0.642 176 HA2 GLY 24 1HA GLY 24 -6.712 4.630 -0.052 177 HA3 GLY 24 2HA GLY 24 -6.099 2.986 0.050 178 H CYS 25 HN CYS 25 -3.676 4.478 1.421 179 HA CYS 25 HA CYS 25 -4.933 4.683 4.076 180 HB2 CYS 25 2HB CYS 25 -2.344 3.292 3.362 181 HB3 CYS 25 3HB CYS 25 -2.861 3.631 5.010 182 H ASN 26 HN ASN 26 -2.394 5.702 1.892 183 HA ASN 26 HA ASN 26 -1.369 7.752 1.738 184 HB2 ASN 26 2HB ASN 26 -3.477 8.372 3.360 185 HB3 ASN 26 3HB ASN 26 -2.114 8.743 4.411 186 HD21 ASN 26 1HD2 ASN 26 -2.773 9.102 0.941 187 HD22 ASN 26 2HD2 ASN 26 -2.357 10.777 0.864 188 H HIS 27 HN HIS 27 -0.514 5.265 3.274 189 HA HIS 27 HA HIS 27 1.641 6.505 4.854 190 HB2 HIS 27 2HB HIS 27 0.481 3.719 5.070 191 HB3 HIS 27 3HB HIS 27 1.820 4.339 6.031 192 HD1 HIS 27 1HD HIS 27 0.746 7.039 6.901 193 HD2 HIS 27 2HD HIS 27 -1.551 3.578 6.855 194 HE1 HIS 27 1HE HIS 27 -1.120 7.450 8.536 195 H LEU 28 HN LEU 28 3.724 5.326 4.824 196 HA LEU 28 HA LEU 28 4.525 4.829 2.121 197 HB2 LEU 28 2HB LEU 28 5.958 4.722 4.761 198 HB3 LEU 28 3HB LEU 28 6.746 4.289 3.245 199 HG LEU 28 HG LEU 28 5.612 6.992 3.963 200 HD11 LEU 28 1HD1 LEU 28 7.873 6.043 4.925 201 HD12 LEU 28 2HD1 LEU 28 7.742 7.709 4.365 202 HD13 LEU 28 3HD1 LEU 28 8.471 6.485 3.326 203 HD21 LEU 28 1HD2 LEU 28 6.700 7.695 1.833 204 HD22 LEU 28 2HD2 LEU 28 5.303 6.639 1.618 205 HD23 LEU 28 3HD2 LEU 28 6.934 5.990 1.448 206 H VAL 29 HN VAL 29 5.443 2.915 1.278 207 HA VAL 29 HA VAL 29 5.239 0.453 2.787 208 HB VAL 29 HB VAL 29 3.916 -0.111 0.330 209 HG11 VAL 29 1HG1 VAL 29 2.537 -1.335 1.671 210 HG12 VAL 29 2HG1 VAL 29 3.882 -1.103 2.789 211 HG13 VAL 29 3HG1 VAL 29 2.448 -0.083 2.909 212 HG21 VAL 29 1HG2 VAL 29 3.337 2.365 0.541 213 HG22 VAL 29 2HG2 VAL 29 1.995 1.238 0.347 214 HG23 VAL 29 3HG2 VAL 29 2.369 1.898 1.939 215 H CYS 30 HN CYS 30 7.055 -0.591 2.346 216 HA CYS 30 HA CYS 30 8.901 0.017 0.409 217 HB2 CYS 30 2HB CYS 30 9.869 -2.204 0.803 218 HB3 CYS 30 3HB CYS 30 9.384 -1.446 2.316 219 H ARG 31 HN ARG 31 9.655 -1.710 -1.297 220 HA ARG 31 HA ARG 31 7.513 -1.864 -3.233 221 HB2 ARG 31 2HB ARG 31 9.357 -2.743 -4.727 222 HB3 ARG 31 3HB ARG 31 9.594 -1.119 -4.097 223 HG2 ARG 31 2HG ARG 31 11.158 -1.919 -2.463 224 HG3 ARG 31 3HG ARG 31 10.829 -3.593 -2.912 225 HD2 ARG 31 2HD ARG 31 11.524 -2.299 -5.292 226 HD3 ARG 31 3HD ARG 31 12.659 -1.701 -4.084 227 HE ARG 31 HE ARG 31 12.722 -4.228 -5.288 228 HH11 ARG 31 1HH1 ARG 31 12.993 -2.777 -2.135 229 HH12 ARG 31 2HH1 ARG 31 14.023 -4.022 -1.508 230 HH21 ARG 31 1HH2 ARG 31 14.078 -5.871 -4.474 231 HH22 ARG 31 2HH2 ARG 31 14.640 -5.780 -2.840 232 H ASP 32 HN ASP 32 7.730 -3.656 -0.774 233 HA ASP 32 HA ASP 32 7.383 -6.200 -2.217 234 HB2 ASP 32 2HB ASP 32 9.488 -6.144 -0.860 235 HB3 ASP 32 3HB ASP 32 8.498 -5.920 0.580 236 H CYS 33 HN CYS 33 5.988 -3.843 -0.314 237 HA CYS 33 HA CYS 33 3.969 -5.699 0.754 238 HB2 CYS 33 2HB CYS 33 4.799 -2.932 1.627 239 HB3 CYS 33 3HB CYS 33 3.335 -3.715 2.212 240 H ARG 34 HN ARG 34 4.383 -4.133 -1.945 241 HA ARG 34 HA ARG 34 1.718 -2.899 -2.046 242 HB2 ARG 34 2HB ARG 34 3.555 -2.628 -4.351 243 HB3 ARG 34 3HB ARG 34 2.486 -1.442 -3.616 244 HG2 ARG 34 2HG ARG 34 4.041 -0.923 -1.933 245 HG3 ARG 34 3HG ARG 34 5.011 -2.357 -2.278 246 HD2 ARG 34 2HD ARG 34 5.782 -1.447 -4.329 247 HD3 ARG 34 3HD ARG 34 4.601 -0.139 -4.269 248 HE ARG 34 HE ARG 34 6.055 0.271 -2.038 249 HH11 ARG 34 1HH1 ARG 34 6.926 -0.235 -5.370 250 HH12 ARG 34 2HH1 ARG 34 8.369 0.718 -5.273 251 HH21 ARG 34 1HH2 ARG 34 7.952 1.529 -1.898 252 HH22 ARG 34 2HH2 ARG 34 8.952 1.721 -3.298 253 H ILE 35 HN ILE 35 0.159 -3.640 -3.402 254 HA ILE 35 HA ILE 35 0.778 -6.109 -4.880 255 HB ILE 35 HB ILE 35 -1.734 -5.156 -3.538 256 HG12 ILE 35 2HG1 ILE 35 -1.644 -7.518 -2.652 257 HG13 ILE 35 3HG1 ILE 35 -0.079 -7.683 -3.440 258 HG21 ILE 35 1HG2 ILE 35 -1.485 -7.180 -5.745 259 HG22 ILE 35 2HG2 ILE 35 -2.827 -7.180 -4.601 260 HG23 ILE 35 3HG2 ILE 35 -2.563 -5.789 -5.651 261 HD11 ILE 35 1HD1 ILE 35 -0.517 -5.418 -1.562 262 HD12 ILE 35 2HD1 ILE 35 -0.244 -7.039 -0.920 263 HD13 ILE 35 3HD1 ILE 35 0.965 -6.286 -1.959 264 H GLN 36 HN GLN 36 1.173 -5.596 -6.945 265 HA GLN 36 HA GLN 36 0.335 -3.386 -8.357 266 HB2 GLN 36 2HB GLN 36 1.438 -6.014 -9.022 267 HB3 GLN 36 3HB GLN 36 0.452 -5.328 -10.306 268 HG2 GLN 36 2HG GLN 36 2.752 -3.916 -8.976 269 HG3 GLN 36 3HG GLN 36 2.853 -4.792 -10.503 270 HE21 GLN 36 1HE2 GLN 36 1.783 -1.928 -8.907 271 HE22 GLN 36 2HE2 GLN 36 1.314 -1.056 -10.323 272 H GLU 37 HN GLU 37 -1.580 -2.690 -9.020 273 HA GLU 37 HA GLU 37 -3.795 -4.616 -9.184 274 HB2 GLU 37 2HB GLU 37 -3.855 -1.609 -8.871 275 HB3 GLU 37 3HB GLU 37 -5.272 -2.645 -8.964 276 HG2 GLU 37 2HG GLU 37 -3.374 -3.455 -6.906 277 HG3 GLU 37 3HG GLU 37 -4.029 -1.837 -6.669 278 H SER 38 HN SER 38 -4.531 -5.165 -11.118 279 HA SER 38 HA SER 38 -3.519 -4.496 -13.536 280 HB2 SER 38 2HB SER 38 -5.505 -6.128 -12.782 281 HB3 SER 38 3HB SER 38 -6.474 -4.833 -13.484 282 HG SER 38 HG SER 38 -5.224 -6.755 -14.760 283 H ASN 39 HN ASN 39 -6.122 -2.793 -11.847 284 HA ASN 39 HA ASN 39 -7.070 -1.040 -13.652 285 HB2 ASN 39 2HB ASN 39 -6.494 -0.855 -10.759 286 HB3 ASN 39 3HB ASN 39 -6.724 0.685 -11.583 287 HD21 ASN 39 1HD2 ASN 39 -8.444 -0.176 -9.622 288 HD22 ASN 39 2HD2 ASN 39 -9.982 -0.535 -10.325 289 H GLY 40 HN GLY 40 -3.909 -0.822 -12.079 290 HA2 GLY 40 1HA GLY 40 -2.229 0.064 -13.814 291 HA3 GLY 40 2HA GLY 40 -3.261 1.485 -13.790 292 H THR 41 HN THR 41 -3.547 0.594 -10.761 293 HA THR 41 HA THR 41 -1.129 2.039 -9.893 294 HB THR 41 HB THR 41 -3.319 3.244 -9.557 295 HG1 THR 41 1HG THR 41 -1.419 3.627 -8.252 296 HG21 THR 41 1HG2 THR 41 -4.830 2.527 -7.856 297 HG22 THR 41 2HG2 THR 41 -3.760 1.209 -7.375 298 HG23 THR 41 3HG2 THR 41 -4.582 1.154 -8.934 299 H TRP 42 HN TRP 42 -1.543 1.621 -7.127 300 HA TRP 42 HA TRP 42 -1.578 -1.257 -6.721 301 HB2 TRP 42 2HB TRP 42 0.628 -1.347 -5.711 302 HB3 TRP 42 3HB TRP 42 0.761 -0.739 -7.359 303 HD1 TRP 42 1HD TRP 42 1.966 1.525 -7.674 304 HE1 TRP 42 1HE TRP 42 2.926 3.308 -6.086 305 HE3 TRP 42 3HE TRP 42 0.116 -0.249 -3.251 306 HZ2 TRP 42 2HZ TRP 42 2.902 3.887 -3.324 307 HZ3 TRP 42 3HZ TRP 42 0.630 0.978 -1.181 308 HH2 TRP 42 2HH TRP 42 1.996 3.002 -1.218 309 H ARG 43 HN ARG 43 -1.677 -1.866 -4.484 310 HA ARG 43 HA ARG 43 -2.077 0.285 -2.553 311 HB2 ARG 43 2HB ARG 43 -4.182 -1.700 -3.382 312 HB3 ARG 43 3HB ARG 43 -4.212 -0.940 -1.797 313 HG2 ARG 43 2HG ARG 43 -3.856 1.083 -3.768 314 HG3 ARG 43 3HG ARG 43 -5.213 0.057 -4.237 315 HD2 ARG 43 2HD ARG 43 -5.034 0.935 -1.403 316 HD3 ARG 43 3HD ARG 43 -5.510 2.129 -2.610 317 HE ARG 43 HE ARG 43 -7.108 0.017 -1.590 318 HH11 ARG 43 1HH1 ARG 43 -6.440 1.827 -4.488 319 HH12 ARG 43 2HH1 ARG 43 -8.015 1.578 -5.164 320 HH21 ARG 43 1HH2 ARG 43 -9.186 -0.320 -2.470 321 HH22 ARG 43 2HH2 ARG 43 -9.576 0.358 -4.015 322 H CYS 44 HN CYS 44 -1.337 -0.226 -0.581 323 HA CYS 44 HA CYS 44 0.349 -2.236 -0.001 324 HB2 CYS 44 2HB CYS 44 0.074 -1.767 2.287 325 HB3 CYS 44 3HB CYS 44 -0.392 -0.273 1.481 326 H LYS 45 HN LYS 45 0.201 -4.221 1.229 327 HA LYS 45 HA LYS 45 -1.611 -6.057 0.164 328 HB2 LYS 45 2HB LYS 45 -0.406 -6.610 2.832 329 HB3 LYS 45 3HB LYS 45 -0.523 -7.649 1.418 330 HG2 LYS 45 2HG LYS 45 1.177 -6.023 0.362 331 HG3 LYS 45 3HG LYS 45 1.475 -5.510 2.024 332 HD2 LYS 45 2HD LYS 45 3.045 -7.173 1.801 333 HD3 LYS 45 3HD LYS 45 1.685 -8.092 2.451 334 HE2 LYS 45 2HE LYS 45 1.068 -8.478 -0.030 335 HE3 LYS 45 3HE LYS 45 2.730 -7.987 -0.356 336 HZ1 LYS 45 1HZ LYS 45 3.575 -9.831 0.682 337 HZ2 LYS 45 2HZ LYS 45 2.161 -10.475 0.014 338 HZ3 LYS 45 3HZ LYS 45 2.211 -10.067 1.655 339 H VAL 46 HN VAL 46 -1.914 -3.900 2.834 340 HA VAL 46 HA VAL 46 -4.062 -5.326 4.120 341 HB VAL 46 HB VAL 46 -3.458 -2.419 4.566 342 HG11 VAL 46 1HG1 VAL 46 -4.318 -4.602 6.460 343 HG12 VAL 46 2HG1 VAL 46 -4.214 -2.875 6.806 344 HG13 VAL 46 3HG1 VAL 46 -5.414 -3.476 5.661 345 HG21 VAL 46 1HG2 VAL 46 -1.293 -3.243 4.725 346 HG22 VAL 46 2HG2 VAL 46 -1.872 -3.346 6.387 347 HG23 VAL 46 3HG2 VAL 46 -1.822 -4.793 5.379 348 H CYS 47 HN CYS 47 -3.757 -3.097 1.531 349 HA CYS 47 HA CYS 47 -6.591 -2.366 1.659 350 HB2 CYS 47 2HB CYS 47 -4.205 -1.255 0.234 351 HB3 CYS 47 3HB CYS 47 -5.811 -0.952 -0.421 352 H ALA 48 HN ALA 48 -4.225 -3.676 -0.656 353 HA ALA 48 HA ALA 48 -6.091 -4.317 -2.665 354 HB1 ALA 48 1HB ALA 48 -3.268 -4.774 -2.158 355 HB2 ALA 48 2HB ALA 48 -4.035 -6.130 -2.987 356 HB3 ALA 48 3HB ALA 48 -4.117 -4.511 -3.682 357 H LYS 49 HN LYS 49 -5.180 -5.920 0.269 358 HA LYS 49 HA LYS 49 -6.798 -8.259 -0.505 359 HB2 LYS 49 2HB LYS 49 -4.206 -8.087 0.654 360 HB3 LYS 49 3HB LYS 49 -5.286 -8.763 1.867 361 HG2 LYS 49 2HG LYS 49 -5.037 -10.731 0.887 362 HG3 LYS 49 3HG LYS 49 -5.921 -10.093 -0.503 363 HD2 LYS 49 2HD LYS 49 -4.000 -9.677 -1.701 364 HD3 LYS 49 3HD LYS 49 -3.005 -9.515 -0.253 365 HE2 LYS 49 2HE LYS 49 -3.928 -12.133 -0.174 366 HE3 LYS 49 3HE LYS 49 -3.556 -11.851 -1.875 367 HZ1 LYS 49 1HZ LYS 49 -1.360 -10.952 -1.049 368 HZ2 LYS 49 2HZ LYS 49 -1.582 -12.624 -0.915 369 HZ3 LYS 49 3HZ LYS 49 -1.739 -11.638 0.451 370 H GLU 50 HN GLU 50 -8.687 -8.498 0.485 371 HA GLU 50 HA GLU 50 -9.029 -7.599 3.234 372 HB2 GLU 50 2HB GLU 50 -9.683 -5.643 1.932 373 HB3 GLU 50 3HB GLU 50 -10.776 -6.626 0.968 374 HG2 GLU 50 2HG GLU 50 -11.477 -7.020 3.670 375 HG3 GLU 50 3HG GLU 50 -11.264 -5.286 3.431 376 H ILE 51 HN ILE 51 -9.152 -9.860 3.627 377 HA ILE 51 HA ILE 51 -11.094 -11.519 2.369 378 HB ILE 51 HB ILE 51 -9.184 -12.578 3.340 379 HG12 ILE 51 2HG1 ILE 51 -11.378 -13.298 5.261 380 HG13 ILE 51 3HG1 ILE 51 -11.558 -13.620 3.540 381 HG21 ILE 51 1HG2 ILE 51 -9.626 -10.728 5.461 382 HG22 ILE 51 2HG2 ILE 51 -9.589 -12.361 6.126 383 HG23 ILE 51 3HG2 ILE 51 -8.231 -11.767 5.170 384 HD11 ILE 51 1HD1 ILE 51 -10.437 -15.502 3.795 385 HD12 ILE 51 2HD1 ILE 51 -9.024 -14.588 4.324 386 HD13 ILE 51 3HD1 ILE 51 -10.206 -15.147 5.507 387 H GLU 52 HN GLU 52 -13.133 -12.063 2.976 388 HA GLU 52 HA GLU 52 -14.682 -10.275 4.439 389 HB2 GLU 52 2HB GLU 52 -15.128 -13.119 3.576 390 HB3 GLU 52 3HB GLU 52 -16.336 -12.261 4.523 391 HG2 GLU 52 2HG GLU 52 -17.113 -11.278 2.705 392 HG3 GLU 52 3HG GLU 52 -15.523 -10.606 2.350 393 H LEU 53 HN LEU 53 -14.731 -9.871 6.540 394 HA LEU 53 HA LEU 53 -14.440 -10.077 8.790 395 HB2 LEU 53 2HB LEU 53 -16.401 -11.692 8.114 396 HB3 LEU 53 3HB LEU 53 -15.258 -12.938 8.616 397 HG LEU 53 HG LEU 53 -16.906 -12.274 10.365 398 HD11 LEU 53 1HD1 LEU 53 -14.157 -11.529 11.281 399 HD12 LEU 53 2HD1 LEU 53 -14.512 -13.168 10.736 400 HD13 LEU 53 3HD1 LEU 53 -15.390 -12.485 12.103 401 HD21 LEU 53 1HD2 LEU 53 -17.181 -10.166 11.061 402 HD22 LEU 53 2HD2 LEU 53 -16.372 -9.715 9.559 403 HD23 LEU 53 3HD2 LEU 53 -15.448 -9.838 11.057 Start of MODEL 4 1 H1 SER 1 HN SER 1 9.963 12.734 11.423 2 HA SER 1 HA SER 1 8.683 10.312 11.047 3 HB2 SER 1 2HB SER 1 8.146 12.269 8.802 4 HB3 SER 1 3HB SER 1 7.918 10.525 8.670 5 HG SER 1 HG SER 1 6.111 12.120 9.410 6 H ASP 2 HN ASP 2 9.904 8.869 9.820 7 HA ASP 2 HA ASP 2 12.407 9.971 8.720 8 HB2 ASP 2 2HB ASP 2 12.098 7.256 10.012 9 HB3 ASP 2 3HB ASP 2 13.595 8.044 9.519 10 H ARG 3 HN ARG 3 9.576 8.421 7.980 11 HA ARG 3 HA ARG 3 8.838 7.615 5.961 12 HB2 ARG 3 2HB ARG 3 11.664 7.329 4.985 13 HB3 ARG 3 3HB ARG 3 10.197 7.603 4.054 14 HG2 ARG 3 2HG ARG 3 10.674 9.766 5.902 15 HG3 ARG 3 3HG ARG 3 12.061 9.502 4.844 16 HD2 ARG 3 2HD ARG 3 10.976 10.288 3.054 17 HD3 ARG 3 3HD ARG 3 9.514 9.378 3.437 18 HE ARG 3 HE ARG 3 8.639 11.311 4.250 19 HH11 ARG 3 1HH1 ARG 3 12.108 11.509 4.471 20 HH12 ARG 3 2HH1 ARG 3 12.106 13.127 5.094 21 HH21 ARG 3 1HH2 ARG 3 8.623 13.439 5.070 22 HH22 ARG 3 2HH2 ARG 3 10.123 14.222 5.436 23 H THR 4 HN THR 4 8.532 5.871 7.674 24 HA THR 4 HA THR 4 10.093 3.471 6.978 25 HB THR 4 HB THR 4 8.421 3.221 9.354 26 HG1 THR 4 1HG THR 4 9.879 4.605 10.604 27 HG21 THR 4 1HG2 THR 4 10.214 1.659 8.691 28 HG22 THR 4 2HG2 THR 4 10.472 2.327 10.304 29 HG23 THR 4 3HG2 THR 4 11.399 2.942 8.934 30 H CYS 5 HN CYS 5 9.023 1.527 6.568 31 HA CYS 5 HA CYS 5 6.651 1.665 5.120 32 HB2 CYS 5 2HB CYS 5 8.375 -0.170 5.023 33 HB3 CYS 5 3HB CYS 5 7.697 -0.799 6.522 34 H ALA 6 HN ALA 6 4.523 1.108 5.560 35 HA ALA 6 HA ALA 6 3.731 1.460 8.337 36 HB1 ALA 6 1HB ALA 6 2.018 2.544 7.440 37 HB2 ALA 6 2HB ALA 6 2.613 2.148 5.828 38 HB3 ALA 6 3HB ALA 6 1.484 1.065 6.642 39 H ARG 7 HN ARG 7 4.666 -1.111 6.611 40 HA ARG 7 HA ARG 7 2.775 -2.914 7.974 41 HB2 ARG 7 2HB ARG 7 4.218 -3.606 5.422 42 HB3 ARG 7 3HB ARG 7 2.853 -4.435 6.158 43 HG2 ARG 7 2HG ARG 7 2.849 -1.763 4.780 44 HG3 ARG 7 3HG ARG 7 2.049 -3.248 4.263 45 HD2 ARG 7 2HD ARG 7 1.273 -1.291 6.350 46 HD3 ARG 7 3HD ARG 7 0.270 -2.186 5.209 47 HE ARG 7 HE ARG 7 1.098 -4.138 6.828 48 HH11 ARG 7 1HH1 ARG 7 -0.190 -0.979 7.523 49 HH12 ARG 7 2HH1 ARG 7 -0.912 -1.461 9.022 50 HH21 ARG 7 1HH2 ARG 7 0.151 -4.784 8.800 51 HH22 ARG 7 2HH2 ARG 7 -0.717 -3.624 9.749 52 H CYS 8 HN CYS 8 6.085 -2.420 6.852 53 HA CYS 8 HA CYS 8 6.989 -4.632 8.554 54 HB2 CYS 8 2HB CYS 8 8.621 -3.062 6.555 55 HB3 CYS 8 3HB CYS 8 9.047 -4.592 7.316 56 H GLN 9 HN GLN 9 7.010 -1.190 8.257 57 HA GLN 9 HA GLN 9 7.719 0.461 9.653 58 HB2 GLN 9 2HB GLN 9 7.338 -1.821 11.347 59 HB3 GLN 9 3HB GLN 9 8.741 -0.917 11.903 60 HG2 GLN 9 2HG GLN 9 6.425 0.746 11.257 61 HG3 GLN 9 3HG GLN 9 6.159 -0.391 12.577 62 HE21 GLN 9 1HE2 GLN 9 8.890 1.607 11.499 63 HE22 GLN 9 2HE2 GLN 9 9.174 2.348 13.033 64 H GLU 10 HN GLU 10 9.530 -0.897 7.794 65 HA GLU 10 HA GLU 10 12.108 -0.536 9.158 66 HB2 GLU 10 2HB GLU 10 11.161 -2.303 7.018 67 HB3 GLU 10 3HB GLU 10 12.704 -1.537 6.670 68 HG2 GLU 10 2HG GLU 10 13.143 -2.354 9.195 69 HG3 GLU 10 3HG GLU 10 12.011 -3.594 8.657 70 H SER 11 HN SER 11 13.779 0.669 8.121 71 HA SER 11 HA SER 11 12.998 3.156 7.151 72 HB2 SER 11 2HB SER 11 15.154 3.023 8.103 73 HB3 SER 11 3HB SER 11 15.626 1.683 7.058 74 HG SER 11 HG SER 11 14.923 4.131 5.891 75 H LEU 12 HN LEU 12 12.790 4.053 5.146 76 HA LEU 12 HA LEU 12 12.400 2.202 2.948 77 HB2 LEU 12 2HB LEU 12 11.820 5.113 3.373 78 HB3 LEU 12 3HB LEU 12 11.708 4.384 1.772 79 HG LEU 12 HG LEU 12 9.639 4.617 3.497 80 HD11 LEU 12 1HD1 LEU 12 8.751 2.550 2.126 81 HD12 LEU 12 2HD1 LEU 12 10.246 2.800 1.223 82 HD13 LEU 12 3HD1 LEU 12 9.063 4.102 1.348 83 HD21 LEU 12 1HD2 LEU 12 10.625 1.787 3.824 84 HD22 LEU 12 2HD2 LEU 12 9.152 2.489 4.496 85 HD23 LEU 12 3HD2 LEU 12 10.730 3.033 5.069 86 H GLY 13 HN GLY 13 14.527 4.877 3.819 87 HA2 GLY 13 1HA GLY 13 16.467 5.659 2.867 88 HA3 GLY 13 2HA GLY 13 16.724 3.988 2.389 89 H ARG 14 HN ARG 14 17.123 3.783 0.300 90 HA ARG 14 HA ARG 14 16.266 5.837 -1.561 91 HB2 ARG 14 2HB ARG 14 18.552 4.460 -1.428 92 HB3 ARG 14 3HB ARG 14 17.664 3.388 -2.502 93 HG2 ARG 14 2HG ARG 14 17.506 6.212 -3.241 94 HG3 ARG 14 3HG ARG 14 19.136 5.535 -3.290 95 HD2 ARG 14 2HD ARG 14 18.539 3.915 -4.869 96 HD3 ARG 14 3HD ARG 14 16.817 4.112 -4.550 97 HE ARG 14 HE ARG 14 18.035 6.485 -5.588 98 HH11 ARG 14 1HH1 ARG 14 16.643 3.410 -6.437 99 HH12 ARG 14 2HH1 ARG 14 16.194 3.906 -8.035 100 HH21 ARG 14 1HH2 ARG 14 17.449 7.152 -7.689 101 HH22 ARG 14 2HH2 ARG 14 16.655 6.035 -8.746 102 H LEU 15 HN LEU 15 13.975 4.965 -0.876 103 HA LEU 15 HA LEU 15 13.183 2.882 -2.802 104 HB2 LEU 15 2HB LEU 15 12.627 3.187 -0.033 105 HB3 LEU 15 3HB LEU 15 11.116 3.391 -0.918 106 HG LEU 15 HG LEU 15 12.854 1.028 -1.494 107 HD11 LEU 15 1HD1 LEU 15 10.752 0.749 0.575 108 HD12 LEU 15 2HD1 LEU 15 12.285 1.466 1.066 109 HD13 LEU 15 3HD1 LEU 15 12.256 -0.146 0.353 110 HD21 LEU 15 1HD2 LEU 15 10.708 0.003 -2.014 111 HD22 LEU 15 2HD2 LEU 15 10.916 1.505 -2.914 112 HD23 LEU 15 3HD2 LEU 15 9.868 1.464 -1.496 113 H SER 16 HN SER 16 12.690 6.133 -1.709 114 HA SER 16 HA SER 16 11.719 7.895 -2.820 115 HB2 SER 16 2HB SER 16 12.098 6.373 -4.903 116 HB3 SER 16 3HB SER 16 10.372 6.037 -4.759 117 HG SER 16 HG SER 16 11.374 8.677 -4.798 118 HA PRO 17 HA PRO 17 7.978 6.708 -0.396 119 HB2 PRO 17 2HB PRO 17 8.050 8.908 1.194 120 HB3 PRO 17 3HB PRO 17 8.974 7.441 1.541 121 HG2 PRO 17 2HG PRO 17 9.880 9.994 0.265 122 HG3 PRO 17 3HG PRO 17 10.696 9.003 1.488 123 HD2 PRO 17 2HD PRO 17 11.353 8.911 -1.137 124 HD3 PRO 17 3HD PRO 17 11.478 7.496 -0.071 125 H LYS 18 HN LYS 18 8.866 9.167 -2.529 126 HA LYS 18 HA LYS 18 6.554 10.827 -2.323 127 HB2 LYS 18 2HB LYS 18 9.002 10.941 -3.663 128 HB3 LYS 18 3HB LYS 18 7.799 10.849 -4.943 129 HG2 LYS 18 2HG LYS 18 7.021 12.916 -4.540 130 HG3 LYS 18 3HG LYS 18 7.181 12.749 -2.790 131 HD2 LYS 18 2HD LYS 18 9.750 12.850 -3.342 132 HD3 LYS 18 3HD LYS 18 9.183 13.650 -4.810 133 HE2 LYS 18 2HE LYS 18 7.844 15.171 -3.271 134 HE3 LYS 18 3HE LYS 18 8.801 14.500 -1.951 135 HZ1 LYS 18 1HZ LYS 18 10.809 15.222 -3.191 136 HZ2 LYS 18 2HZ LYS 18 9.831 16.501 -2.673 137 HZ3 LYS 18 3HZ LYS 18 9.803 16.017 -4.295 138 H THR 19 HN THR 19 7.250 7.825 -3.858 139 HA THR 19 HA THR 19 4.584 7.872 -5.104 140 HB THR 19 HB THR 19 5.296 7.028 -7.114 141 HG1 THR 19 1HG THR 19 6.392 5.215 -6.604 142 HG21 THR 19 1HG2 THR 19 7.818 8.441 -6.243 143 HG22 THR 19 2HG2 THR 19 6.337 9.262 -6.735 144 HG23 THR 19 3HG2 THR 19 7.213 8.259 -7.889 145 H ASN 20 HN ASN 20 5.921 6.710 -2.593 146 HA ASN 20 HA ASN 20 5.115 3.910 -3.030 147 HB2 ASN 20 2HB ASN 20 7.044 5.025 -0.980 148 HB3 ASN 20 3HB ASN 20 6.584 3.332 -1.132 149 HD21 ASN 20 1HD2 ASN 20 9.061 3.398 -1.254 150 HD22 ASN 20 2HD2 ASN 20 9.726 3.436 -2.848 151 H THR 21 HN THR 21 3.856 6.632 -1.952 152 HA THR 21 HA THR 21 2.835 5.721 0.607 153 HB THR 21 HB THR 21 2.165 8.224 -0.953 154 HG1 THR 21 1HG THR 21 3.575 9.185 0.645 155 HG21 THR 21 1HG2 THR 21 0.428 7.524 0.672 156 HG22 THR 21 2HG2 THR 21 1.205 9.046 1.111 157 HG23 THR 21 3HG2 THR 21 1.647 7.556 1.946 158 H CYS 22 HN CYS 22 1.457 4.032 0.304 159 HA CYS 22 HA CYS 22 -0.234 3.397 -1.686 160 HB2 CYS 22 2HB CYS 22 0.031 2.111 0.423 161 HB3 CYS 22 3HB CYS 22 -1.002 3.281 1.237 162 H ARG 23 HN ARG 23 -1.929 4.252 -2.697 163 HA ARG 23 HA ARG 23 -2.942 6.813 -1.887 164 HB2 ARG 23 2HB ARG 23 -4.414 5.394 -3.994 165 HB3 ARG 23 3HB ARG 23 -3.681 6.992 -4.011 166 HG2 ARG 23 2HG ARG 23 -1.446 5.661 -4.149 167 HG3 ARG 23 3HG ARG 23 -2.487 4.354 -4.714 168 HD2 ARG 23 2HD ARG 23 -1.586 5.641 -6.584 169 HD3 ARG 23 3HD ARG 23 -3.340 5.789 -6.491 170 HE ARG 23 HE ARG 23 -3.083 8.030 -6.153 171 HH11 ARG 23 1HH1 ARG 23 -0.072 6.437 -5.437 172 HH12 ARG 23 2HH1 ARG 23 0.805 7.914 -5.205 173 HH21 ARG 23 1HH2 ARG 23 -1.941 9.980 -5.851 174 HH22 ARG 23 2HH2 ARG 23 -0.260 9.929 -5.441 175 H GLY 24 HN GLY 24 -3.526 3.979 -0.565 176 HA2 GLY 24 1HA GLY 24 -6.449 4.275 -0.415 177 HA3 GLY 24 2HA GLY 24 -5.546 2.838 0.040 178 H CYS 25 HN CYS 25 -3.630 3.820 1.708 179 HA CYS 25 HA CYS 25 -5.249 4.830 3.946 180 HB2 CYS 25 2HB CYS 25 -3.237 3.893 5.297 181 HB3 CYS 25 3HB CYS 25 -4.409 2.765 4.625 182 H ASN 26 HN ASN 26 -2.614 5.551 1.882 183 HA ASN 26 HA ASN 26 -1.444 7.504 1.629 184 HB2 ASN 26 2HB ASN 26 -2.456 8.570 4.242 185 HB3 ASN 26 3HB ASN 26 -2.051 9.442 2.767 186 HD21 ASN 26 1HD2 ASN 26 -4.527 8.477 4.663 187 HD22 ASN 26 2HD2 ASN 26 -5.810 8.486 3.506 188 H HIS 27 HN HIS 27 -0.481 5.157 2.981 189 HA HIS 27 HA HIS 27 1.536 6.389 4.741 190 HB2 HIS 27 2HB HIS 27 0.354 3.611 4.923 191 HB3 HIS 27 3HB HIS 27 1.688 4.202 5.908 192 HD1 HIS 27 1HD HIS 27 0.620 6.935 6.739 193 HD2 HIS 27 2HD HIS 27 -1.682 3.476 6.712 194 HE1 HIS 27 1HE HIS 27 -1.258 7.364 8.357 195 H LEU 28 HN LEU 28 3.627 5.234 4.777 196 HA LEU 28 HA LEU 28 4.507 4.710 2.102 197 HB2 LEU 28 2HB LEU 28 5.869 4.702 4.778 198 HB3 LEU 28 3HB LEU 28 6.706 4.225 3.303 199 HG LEU 28 HG LEU 28 5.522 6.937 3.893 200 HD11 LEU 28 1HD1 LEU 28 8.408 6.340 3.392 201 HD12 LEU 28 2HD1 LEU 28 7.721 6.131 5.002 202 HD13 LEU 28 3HD1 LEU 28 7.674 7.713 4.223 203 HD21 LEU 28 1HD2 LEU 28 6.920 5.864 1.449 204 HD22 LEU 28 2HD2 LEU 28 6.657 7.579 1.767 205 HD23 LEU 28 3HD2 LEU 28 5.278 6.498 1.554 206 H VAL 29 HN VAL 29 5.284 2.802 1.233 207 HA VAL 29 HA VAL 29 5.196 0.362 2.809 208 HB VAL 29 HB VAL 29 3.825 -0.212 0.361 209 HG11 VAL 29 1HG1 VAL 29 2.461 -0.318 2.997 210 HG12 VAL 29 2HG1 VAL 29 2.540 -1.525 1.712 211 HG13 VAL 29 3HG1 VAL 29 3.921 -1.284 2.783 212 HG21 VAL 29 1HG2 VAL 29 1.810 1.036 0.589 213 HG22 VAL 29 2HG2 VAL 29 2.357 1.761 2.100 214 HG23 VAL 29 3HG2 VAL 29 3.141 2.193 0.581 215 H CYS 30 HN CYS 30 7.029 -0.645 2.354 216 HA CYS 30 HA CYS 30 8.825 -0.052 0.375 217 HB2 CYS 30 2HB CYS 30 9.826 -2.260 0.779 218 HB3 CYS 30 3HB CYS 30 9.366 -1.479 2.289 219 H ARG 31 HN ARG 31 9.572 -1.797 -1.319 220 HA ARG 31 HA ARG 31 7.403 -1.997 -3.219 221 HB2 ARG 31 2HB ARG 31 9.118 -2.671 -4.810 222 HB3 ARG 31 3HB ARG 31 9.635 -1.239 -3.929 223 HG2 ARG 31 2HG ARG 31 11.226 -2.412 -2.707 224 HG3 ARG 31 3HG ARG 31 10.468 -3.971 -3.038 225 HD2 ARG 31 2HD ARG 31 11.209 -2.682 -5.496 226 HD3 ARG 31 3HD ARG 31 12.598 -2.769 -4.412 227 HE ARG 31 HE ARG 31 11.312 -4.952 -5.754 228 HH11 ARG 31 1HH1 ARG 31 13.198 -4.035 -2.975 229 HH12 ARG 31 2HH1 ARG 31 13.868 -5.616 -2.744 230 HH21 ARG 31 1HH2 ARG 31 12.187 -7.038 -5.461 231 HH22 ARG 31 2HH2 ARG 31 13.293 -7.324 -4.160 232 H ASP 32 HN ASP 32 7.649 -3.746 -0.739 233 HA ASP 32 HA ASP 32 7.336 -6.323 -2.134 234 HB2 ASP 32 2HB ASP 32 9.415 -6.133 -0.688 235 HB3 ASP 32 3HB ASP 32 8.333 -6.034 0.700 236 H CYS 33 HN CYS 33 5.957 -3.958 -0.160 237 HA CYS 33 HA CYS 33 3.916 -5.806 0.865 238 HB2 CYS 33 2HB CYS 33 4.658 -2.988 1.667 239 HB3 CYS 33 3HB CYS 33 3.241 -3.829 2.288 240 H ARG 34 HN ARG 34 4.349 -4.271 -1.862 241 HA ARG 34 HA ARG 34 1.695 -3.035 -2.025 242 HB2 ARG 34 2HB ARG 34 3.504 -2.960 -4.367 243 HB3 ARG 34 3HB ARG 34 2.487 -1.698 -3.688 244 HG2 ARG 34 2HG ARG 34 4.094 -1.242 -1.970 245 HG3 ARG 34 3HG ARG 34 5.077 -2.622 -2.465 246 HD2 ARG 34 2HD ARG 34 5.731 -1.581 -4.460 247 HD3 ARG 34 3HD ARG 34 4.440 -0.385 -4.359 248 HE ARG 34 HE ARG 34 5.877 0.188 -2.180 249 HH11 ARG 34 1HH1 ARG 34 6.825 -0.386 -5.480 250 HH12 ARG 34 2HH1 ARG 34 8.208 0.654 -5.402 251 HH21 ARG 34 1HH2 ARG 34 7.696 1.560 -2.064 252 HH22 ARG 34 2HH2 ARG 34 8.703 1.759 -3.457 253 H ILE 35 HN ILE 35 0.097 -3.829 -3.298 254 HA ILE 35 HA ILE 35 0.612 -6.423 -4.581 255 HB ILE 35 HB ILE 35 -1.850 -5.216 -3.368 256 HG12 ILE 35 2HG1 ILE 35 -1.944 -7.498 -2.318 257 HG13 ILE 35 3HG1 ILE 35 -0.406 -7.857 -3.095 258 HG21 ILE 35 1HG2 ILE 35 -2.731 -5.915 -5.426 259 HG22 ILE 35 2HG2 ILE 35 -1.718 -7.357 -5.466 260 HG23 ILE 35 3HG2 ILE 35 -3.055 -7.252 -4.322 261 HD11 ILE 35 1HD1 ILE 35 -0.311 -7.141 -0.682 262 HD12 ILE 35 2HD1 ILE 35 0.732 -6.257 -1.797 263 HD13 ILE 35 3HD1 ILE 35 -0.774 -5.532 -1.235 264 H GLN 36 HN GLN 36 1.102 -6.095 -6.668 265 HA GLN 36 HA GLN 36 0.493 -4.006 -8.309 266 HB2 GLN 36 2HB GLN 36 1.049 -6.889 -8.792 267 HB3 GLN 36 3HB GLN 36 0.440 -5.944 -10.144 268 HG2 GLN 36 2HG GLN 36 2.666 -4.749 -8.630 269 HG3 GLN 36 3HG GLN 36 3.041 -6.203 -9.553 270 HE21 GLN 36 1HE2 GLN 36 0.960 -3.380 -10.102 271 HE22 GLN 36 2HE2 GLN 36 1.621 -2.979 -11.647 272 H GLU 37 HN GLU 37 -1.383 -3.099 -8.799 273 HA GLU 37 HA GLU 37 -3.812 -4.727 -8.831 274 HB2 GLU 37 2HB GLU 37 -3.361 -1.743 -8.796 275 HB3 GLU 37 3HB GLU 37 -4.949 -2.471 -8.988 276 HG2 GLU 37 2HG GLU 37 -3.199 -3.144 -6.654 277 HG3 GLU 37 3HG GLU 37 -4.235 -1.717 -6.652 278 H SER 38 HN SER 38 -5.478 -4.002 -10.528 279 HA SER 38 HA SER 38 -4.148 -4.121 -13.134 280 HB2 SER 38 2HB SER 38 -6.828 -4.964 -12.108 281 HB3 SER 38 3HB SER 38 -6.658 -4.587 -13.822 282 HG SER 38 HG SER 38 -4.619 -6.091 -13.284 283 H ASN 39 HN ASN 39 -5.129 -1.759 -11.199 284 HA ASN 39 HA ASN 39 -6.524 -0.178 -13.227 285 HB2 ASN 39 2HB ASN 39 -7.439 -0.204 -10.932 286 HB3 ASN 39 3HB ASN 39 -5.929 0.477 -10.332 287 HD21 ASN 39 1HD2 ASN 39 -6.707 2.375 -9.582 288 HD22 ASN 39 2HD2 ASN 39 -7.405 3.597 -10.584 289 H GLY 40 HN GLY 40 -3.541 -0.919 -13.074 290 HA2 GLY 40 1HA GLY 40 -1.662 0.123 -13.925 291 HA3 GLY 40 2HA GLY 40 -2.593 1.607 -14.056 292 H THR 41 HN THR 41 -2.760 0.233 -10.971 293 HA THR 41 HA THR 41 -0.497 1.830 -9.996 294 HB THR 41 HB THR 41 -2.625 3.131 -9.749 295 HG1 THR 41 1HG THR 41 -1.430 3.896 -8.182 296 HG21 THR 41 1HG2 THR 41 -4.424 1.919 -9.162 297 HG22 THR 41 2HG2 THR 41 -3.808 2.074 -7.517 298 HG23 THR 41 3HG2 THR 41 -3.443 0.632 -8.464 299 H TRP 42 HN TRP 42 -1.048 1.422 -7.255 300 HA TRP 42 HA TRP 42 -1.159 -1.466 -6.885 301 HB2 TRP 42 2HB TRP 42 0.956 -1.514 -5.633 302 HB3 TRP 42 3HB TRP 42 1.213 -1.018 -7.304 303 HD1 TRP 42 1HD TRP 42 2.330 1.297 -7.708 304 HE1 TRP 42 1HE TRP 42 3.233 3.149 -6.164 305 HE3 TRP 42 3HE TRP 42 0.445 -0.366 -3.256 306 HZ2 TRP 42 2HZ TRP 42 3.157 3.816 -3.423 307 HZ3 TRP 42 3HZ TRP 42 0.907 0.936 -1.220 308 HH2 TRP 42 2HH TRP 42 2.234 2.983 -1.303 309 H ARG 43 HN ARG 43 -1.371 -2.097 -4.640 310 HA ARG 43 HA ARG 43 -1.997 0.042 -2.754 311 HB2 ARG 43 2HB ARG 43 -3.950 -1.969 -3.811 312 HB3 ARG 43 3HB ARG 43 -4.110 -1.387 -2.160 313 HG2 ARG 43 2HG ARG 43 -3.751 0.749 -4.114 314 HG3 ARG 43 3HG ARG 43 -5.201 -0.220 -4.376 315 HD2 ARG 43 2HD ARG 43 -4.772 0.460 -1.576 316 HD3 ARG 43 3HD ARG 43 -4.945 1.878 -2.608 317 HE ARG 43 HE ARG 43 -7.010 0.140 -1.795 318 HH11 ARG 43 1HH1 ARG 43 -5.884 1.901 -4.580 319 HH12 ARG 43 2HH1 ARG 43 -7.463 2.069 -5.274 320 HH21 ARG 43 1HH2 ARG 43 -9.094 0.357 -2.698 321 HH22 ARG 43 2HH2 ARG 43 -9.288 1.192 -4.202 322 H CYS 44 HN CYS 44 -1.277 -0.414 -0.773 323 HA CYS 44 HA CYS 44 0.381 -2.445 -0.107 324 HB2 CYS 44 2HB CYS 44 0.008 -1.928 2.204 325 HB3 CYS 44 3HB CYS 44 -0.155 -0.428 1.295 326 H LYS 45 HN LYS 45 0.086 -4.284 1.408 327 HA LYS 45 HA LYS 45 -1.851 -6.094 0.387 328 HB2 LYS 45 2HB LYS 45 -0.543 -6.740 2.961 329 HB3 LYS 45 3HB LYS 45 -0.689 -7.704 1.498 330 HG2 LYS 45 2HG LYS 45 1.015 -5.996 0.525 331 HG3 LYS 45 3HG LYS 45 1.363 -5.664 2.224 332 HD2 LYS 45 2HD LYS 45 2.897 -7.328 1.676 333 HD3 LYS 45 3HD LYS 45 1.588 -8.223 2.450 334 HE2 LYS 45 2HE LYS 45 0.667 -8.715 0.196 335 HE3 LYS 45 3HE LYS 45 2.078 -7.930 -0.512 336 HZ1 LYS 45 1HZ LYS 45 3.232 -9.788 -0.271 337 HZ2 LYS 45 2HZ LYS 45 1.841 -10.574 0.281 338 HZ3 LYS 45 3HZ LYS 45 2.898 -9.852 1.386 339 H VAL 46 HN VAL 46 -2.142 -3.637 2.597 340 HA VAL 46 HA VAL 46 -4.167 -4.991 4.221 341 HB VAL 46 HB VAL 46 -3.338 -2.123 4.555 342 HG11 VAL 46 1HG1 VAL 46 -5.142 -3.841 5.861 343 HG12 VAL 46 2HG1 VAL 46 -3.788 -3.597 6.966 344 HG13 VAL 46 3HG1 VAL 46 -4.669 -2.208 6.330 345 HG21 VAL 46 1HG2 VAL 46 -1.279 -3.425 4.496 346 HG22 VAL 46 2HG2 VAL 46 -1.612 -2.856 6.132 347 HG23 VAL 46 3HG2 VAL 46 -1.933 -4.536 5.701 348 H CYS 47 HN CYS 47 -3.870 -2.893 1.537 349 HA CYS 47 HA CYS 47 -6.676 -2.045 1.781 350 HB2 CYS 47 2HB CYS 47 -4.344 -0.935 0.228 351 HB3 CYS 47 3HB CYS 47 -6.003 -0.475 -0.138 352 H ALA 48 HN ALA 48 -4.401 -3.782 -0.229 353 HA ALA 48 HA ALA 48 -6.247 -4.147 -2.408 354 HB1 ALA 48 1HB ALA 48 -4.432 -5.902 -3.057 355 HB2 ALA 48 2HB ALA 48 -4.069 -4.178 -3.158 356 HB3 ALA 48 3HB ALA 48 -3.494 -5.121 -1.783 357 H LYS 49 HN LYS 49 -5.174 -5.997 0.385 358 HA LYS 49 HA LYS 49 -7.277 -7.973 -0.204 359 HB2 LYS 49 2HB LYS 49 -5.139 -9.026 -0.626 360 HB3 LYS 49 3HB LYS 49 -4.522 -8.486 0.929 361 HG2 LYS 49 2HG LYS 49 -5.626 -10.097 2.087 362 HG3 LYS 49 3HG LYS 49 -6.964 -10.164 0.938 363 HD2 LYS 49 2HD LYS 49 -5.608 -12.212 0.894 364 HD3 LYS 49 3HD LYS 49 -5.569 -11.361 -0.652 365 HE2 LYS 49 2HE LYS 49 -3.357 -11.184 -0.551 366 HE3 LYS 49 3HE LYS 49 -3.452 -10.413 1.031 367 HZ1 LYS 49 1HZ LYS 49 -2.141 -12.440 1.107 368 HZ2 LYS 49 2HZ LYS 49 -3.454 -13.341 0.539 369 HZ3 LYS 49 3HZ LYS 49 -3.533 -12.597 2.056 370 H GLU 50 HN GLU 50 -8.785 -8.050 1.318 371 HA GLU 50 HA GLU 50 -8.343 -6.735 3.862 372 HB2 GLU 50 2HB GLU 50 -10.747 -7.923 2.501 373 HB3 GLU 50 3HB GLU 50 -10.801 -7.463 4.198 374 HG2 GLU 50 2HG GLU 50 -9.939 -5.541 2.066 375 HG3 GLU 50 3HG GLU 50 -11.636 -5.779 2.482 376 H ILE 51 HN ILE 51 -8.706 -7.724 5.905 377 HA ILE 51 HA ILE 51 -8.944 -10.594 6.084 378 HB ILE 51 HB ILE 51 -6.506 -10.203 5.609 379 HG12 ILE 51 2HG1 ILE 51 -6.930 -11.319 8.377 380 HG13 ILE 51 3HG1 ILE 51 -7.520 -12.148 6.940 381 HG21 ILE 51 1HG2 ILE 51 -5.207 -9.422 7.677 382 HG22 ILE 51 2HG2 ILE 51 -5.992 -8.195 6.683 383 HG23 ILE 51 3HG2 ILE 51 -6.733 -8.708 8.198 384 HD11 ILE 51 1HD1 ILE 51 -5.000 -11.795 6.186 385 HD12 ILE 51 2HD1 ILE 51 -4.761 -11.797 7.933 386 HD13 ILE 51 3HD1 ILE 51 -5.521 -13.179 7.146 387 H GLU 52 HN GLU 52 -9.389 -11.326 8.187 388 HA GLU 52 HA GLU 52 -10.578 -11.094 10.139 389 HB2 GLU 52 2HB GLU 52 -7.898 -10.050 10.414 390 HB3 GLU 52 3HB GLU 52 -8.991 -9.247 11.533 391 HG2 GLU 52 2HG GLU 52 -8.919 -12.231 11.298 392 HG3 GLU 52 3HG GLU 52 -7.779 -11.356 12.321 393 H LEU 53 HN LEU 53 -12.392 -9.991 9.215 394 HA LEU 53 HA LEU 53 -13.906 -8.302 9.002 395 HB2 LEU 53 2HB LEU 53 -12.594 -7.915 11.623 396 HB3 LEU 53 3HB LEU 53 -13.559 -6.568 11.021 397 HG LEU 53 HG LEU 53 -15.542 -7.875 11.025 398 HD11 LEU 53 1HD1 LEU 53 -15.597 -10.238 11.534 399 HD12 LEU 53 2HD1 LEU 53 -13.845 -10.263 11.737 400 HD13 LEU 53 3HD1 LEU 53 -14.544 -9.947 10.149 401 HD21 LEU 53 1HD2 LEU 53 -15.587 -8.707 13.409 402 HD22 LEU 53 2HD2 LEU 53 -15.082 -7.032 13.186 403 HD23 LEU 53 3HD2 LEU 53 -13.878 -8.284 13.498 Start of MODEL 5 1 H1 SER 1 HN SER 1 7.869 11.259 12.516 2 HA SER 1 HA SER 1 7.727 10.022 10.606 3 HB2 SER 1 2HB SER 1 7.918 11.425 8.385 4 HB3 SER 1 3HB SER 1 6.473 11.545 9.390 5 HG SER 1 HG SER 1 7.593 13.391 10.397 6 H ASP 2 HN ASP 2 9.274 8.720 9.882 7 HA ASP 2 HA ASP 2 11.913 9.878 9.270 8 HB2 ASP 2 2HB ASP 2 11.344 7.239 10.637 9 HB3 ASP 2 3HB ASP 2 12.940 7.818 10.168 10 H ARG 3 HN ARG 3 9.283 8.234 8.091 11 HA ARG 3 HA ARG 3 8.921 7.442 5.960 12 HB2 ARG 3 2HB ARG 3 11.860 7.119 5.479 13 HB3 ARG 3 3HB ARG 3 10.578 7.461 4.326 14 HG2 ARG 3 2HG ARG 3 10.697 9.600 6.195 15 HG3 ARG 3 3HG ARG 3 12.328 9.274 5.602 16 HD2 ARG 3 2HD ARG 3 11.797 9.815 3.441 17 HD3 ARG 3 3HD ARG 3 10.102 9.373 3.633 18 HE ARG 3 HE ARG 3 11.312 11.937 4.198 19 HH11 ARG 3 1HH1 ARG 3 8.575 9.842 4.686 20 HH12 ARG 3 2HH1 ARG 3 7.491 11.134 5.078 21 HH21 ARG 3 1HH2 ARG 3 9.894 13.647 4.713 22 HH22 ARG 3 2HH2 ARG 3 8.241 13.298 5.093 23 H THR 4 HN THR 4 8.370 5.728 7.692 24 HA THR 4 HA THR 4 9.975 3.305 7.201 25 HB THR 4 HB THR 4 8.114 3.022 9.396 26 HG1 THR 4 1HG THR 4 9.585 4.528 10.710 27 HG21 THR 4 1HG2 THR 4 11.133 3.002 9.393 28 HG22 THR 4 2HG2 THR 4 10.135 1.635 8.896 29 HG23 THR 4 3HG2 THR 4 10.058 2.225 10.555 30 H CYS 5 HN CYS 5 8.936 1.386 6.671 31 HA CYS 5 HA CYS 5 6.679 1.553 5.042 32 HB2 CYS 5 2HB CYS 5 8.399 -0.271 5.001 33 HB3 CYS 5 3HB CYS 5 7.668 -0.927 6.462 34 H ALA 6 HN ALA 6 4.532 0.889 5.311 35 HA ALA 6 HA ALA 6 3.520 1.249 8.014 36 HB1 ALA 6 1HB ALA 6 1.942 2.342 6.900 37 HB2 ALA 6 2HB ALA 6 2.529 1.726 5.355 38 HB3 ALA 6 3HB ALA 6 1.368 0.789 6.293 39 H ARG 7 HN ARG 7 4.731 -1.307 6.512 40 HA ARG 7 HA ARG 7 2.810 -3.159 7.755 41 HB2 ARG 7 2HB ARG 7 4.383 -3.883 5.297 42 HB3 ARG 7 3HB ARG 7 2.964 -4.678 5.964 43 HG2 ARG 7 2HG ARG 7 3.001 -1.959 4.672 44 HG3 ARG 7 3HG ARG 7 2.447 -3.456 3.918 45 HD2 ARG 7 2HD ARG 7 1.124 -1.722 5.888 46 HD3 ARG 7 3HD ARG 7 0.430 -2.774 4.654 47 HE ARG 7 HE ARG 7 0.823 -3.398 7.401 48 HH11 ARG 7 1HH1 ARG 7 0.824 -4.779 4.205 49 HH12 ARG 7 2HH1 ARG 7 0.420 -6.373 4.752 50 HH21 ARG 7 1HH2 ARG 7 0.292 -5.491 8.133 51 HH22 ARG 7 2HH2 ARG 7 0.117 -6.777 6.987 52 H CYS 8 HN CYS 8 6.143 -2.567 6.758 53 HA CYS 8 HA CYS 8 7.053 -4.722 8.530 54 HB2 CYS 8 2HB CYS 8 8.741 -3.127 6.600 55 HB3 CYS 8 3HB CYS 8 9.135 -4.664 7.363 56 H GLN 9 HN GLN 9 6.868 -1.306 8.255 57 HA GLN 9 HA GLN 9 7.532 0.405 9.598 58 HB2 GLN 9 2HB GLN 9 7.332 -1.926 11.392 59 HB3 GLN 9 3HB GLN 9 8.316 -0.602 12.002 60 HG2 GLN 9 2HG GLN 9 6.549 0.767 12.282 61 HG3 GLN 9 3HG GLN 9 5.702 0.146 10.867 62 HE21 GLN 9 1HE2 GLN 9 4.444 -1.724 11.065 63 HE22 GLN 9 2HE2 GLN 9 3.893 -2.287 12.603 64 H GLU 10 HN GLU 10 9.476 -0.859 7.885 65 HA GLU 10 HA GLU 10 11.945 -0.451 9.437 66 HB2 GLU 10 2HB GLU 10 11.197 -2.325 7.297 67 HB3 GLU 10 3HB GLU 10 12.769 -1.566 7.080 68 HG2 GLU 10 2HG GLU 10 13.201 -2.269 9.518 69 HG3 GLU 10 3HG GLU 10 11.829 -3.350 9.287 70 H SER 11 HN SER 11 13.530 0.929 8.680 71 HA SER 11 HA SER 11 12.894 3.296 7.549 72 HB2 SER 11 2HB SER 11 15.117 2.674 8.547 73 HB3 SER 11 3HB SER 11 15.529 1.908 7.012 74 HG SER 11 HG SER 11 16.020 3.804 6.284 75 H LEU 12 HN LEU 12 12.797 4.219 5.525 76 HA LEU 12 HA LEU 12 12.384 2.338 3.326 77 HB2 LEU 12 2HB LEU 12 11.502 5.114 3.927 78 HB3 LEU 12 3HB LEU 12 11.625 4.624 2.238 79 HG LEU 12 HG LEU 12 9.368 4.417 3.616 80 HD11 LEU 12 1HD1 LEU 12 10.000 2.089 1.874 81 HD12 LEU 12 2HD1 LEU 12 10.096 3.711 1.192 82 HD13 LEU 12 3HD1 LEU 12 8.582 3.138 1.891 83 HD21 LEU 12 1HD2 LEU 12 10.578 1.691 4.019 84 HD22 LEU 12 2HD2 LEU 12 9.017 2.285 4.585 85 HD23 LEU 12 3HD2 LEU 12 10.508 2.912 5.289 86 H GLY 13 HN GLY 13 14.450 4.975 4.322 87 HA2 GLY 13 1HA GLY 13 16.168 6.070 3.196 88 HA3 GLY 13 2HA GLY 13 16.696 4.405 2.992 89 H ARG 14 HN ARG 14 17.201 3.905 0.977 90 HA ARG 14 HA ARG 14 16.463 5.571 -1.220 91 HB2 ARG 14 2HB ARG 14 18.143 3.168 -0.809 92 HB3 ARG 14 3HB ARG 14 17.488 3.386 -2.426 93 HG2 ARG 14 2HG ARG 14 19.815 4.378 -1.781 94 HG3 ARG 14 3HG ARG 14 18.708 5.281 -2.818 95 HD2 ARG 14 2HD ARG 14 18.453 5.694 0.102 96 HD3 ARG 14 3HD ARG 14 19.896 6.349 -0.673 97 HE ARG 14 HE ARG 14 17.887 7.218 -2.263 98 HH11 ARG 14 1HH1 ARG 14 18.470 7.377 1.166 99 HH12 ARG 14 2HH1 ARG 14 17.620 8.872 1.373 100 HH21 ARG 14 1HH2 ARG 14 16.765 9.187 -2.003 101 HH22 ARG 14 2HH2 ARG 14 16.649 9.901 -0.430 102 H LEU 15 HN LEU 15 14.083 5.233 -0.645 103 HA LEU 15 HA LEU 15 13.052 2.925 -2.162 104 HB2 LEU 15 2HB LEU 15 12.308 4.031 0.450 105 HB3 LEU 15 3HB LEU 15 10.945 3.709 -0.619 106 HG LEU 15 HG LEU 15 11.910 1.908 1.100 107 HD11 LEU 15 1HD1 LEU 15 9.910 1.502 -0.067 108 HD12 LEU 15 2HD1 LEU 15 10.977 0.164 -0.493 109 HD13 LEU 15 3HD1 LEU 15 10.727 1.489 -1.630 110 HD21 LEU 15 1HD2 LEU 15 13.257 1.042 -1.429 111 HD22 LEU 15 2HD2 LEU 15 13.482 0.450 0.216 112 HD23 LEU 15 3HD2 LEU 15 14.115 2.030 -0.246 113 H SER 16 HN SER 16 12.699 6.341 -1.407 114 HA SER 16 HA SER 16 11.986 8.044 -2.784 115 HB2 SER 16 2HB SER 16 12.498 6.302 -4.670 116 HB3 SER 16 3HB SER 16 10.746 6.106 -4.711 117 HG SER 16 HG SER 16 10.749 8.510 -4.883 118 HA PRO 17 HA PRO 17 7.934 7.261 -0.725 119 HB2 PRO 17 2HB PRO 17 7.951 9.591 0.669 120 HB3 PRO 17 3HB PRO 17 8.745 8.120 1.246 121 HG2 PRO 17 2HG PRO 17 9.934 10.500 -0.129 122 HG3 PRO 17 3HG PRO 17 10.549 9.588 1.262 123 HD2 PRO 17 2HD PRO 17 11.492 9.226 -1.251 124 HD3 PRO 17 3HD PRO 17 11.414 7.911 -0.061 125 H LYS 18 HN LYS 18 9.139 9.306 -3.054 126 HA LYS 18 HA LYS 18 7.214 11.326 -3.268 127 HB2 LYS 18 2HB LYS 18 9.193 11.523 -4.566 128 HB3 LYS 18 3HB LYS 18 8.943 9.954 -5.322 129 HG2 LYS 18 2HG LYS 18 8.470 11.840 -6.831 130 HG3 LYS 18 3HG LYS 18 7.066 10.801 -6.570 131 HD2 LYS 18 2HD LYS 18 6.036 12.372 -5.151 132 HD3 LYS 18 3HD LYS 18 7.529 13.293 -4.954 133 HE2 LYS 18 2HE LYS 18 6.746 13.081 -7.736 134 HE3 LYS 18 3HE LYS 18 5.477 13.810 -6.752 135 HZ1 LYS 18 1HZ LYS 18 7.201 15.356 -7.739 136 HZ2 LYS 18 2HZ LYS 18 8.285 14.726 -6.605 137 HZ3 LYS 18 3HZ LYS 18 6.890 15.530 -6.086 138 H THR 19 HN THR 19 7.214 7.997 -4.406 139 HA THR 19 HA THR 19 4.354 8.275 -5.013 140 HB THR 19 HB THR 19 5.140 8.264 -7.197 141 HG1 THR 19 1HG THR 19 4.335 6.399 -7.932 142 HG21 THR 19 1HG2 THR 19 6.965 6.616 -7.917 143 HG22 THR 19 2HG2 THR 19 7.296 6.424 -6.196 144 HG23 THR 19 3HG2 THR 19 7.462 8.007 -6.954 145 H ASN 20 HN ASN 20 6.618 6.814 -3.187 146 HA ASN 20 HA ASN 20 5.535 4.123 -3.243 147 HB2 ASN 20 2HB ASN 20 7.689 5.428 -1.572 148 HB3 ASN 20 3HB ASN 20 7.184 3.754 -1.363 149 HD21 ASN 20 1HD2 ASN 20 9.351 3.168 -1.861 150 HD22 ASN 20 2HD2 ASN 20 9.887 3.112 -3.502 151 H THR 21 HN THR 21 3.781 6.334 -2.505 152 HA THR 21 HA THR 21 3.162 5.566 0.274 153 HB THR 21 HB THR 21 2.507 8.159 -1.140 154 HG1 THR 21 1HG THR 21 4.534 8.442 -0.473 155 HG21 THR 21 1HG2 THR 21 2.097 7.703 1.783 156 HG22 THR 21 2HG2 THR 21 0.878 7.128 0.645 157 HG23 THR 21 3HG2 THR 21 1.297 8.840 0.699 158 H CYS 22 HN CYS 22 1.683 3.977 0.075 159 HA CYS 22 HA CYS 22 -0.086 3.363 -1.845 160 HB2 CYS 22 2HB CYS 22 0.166 2.119 0.285 161 HB3 CYS 22 3HB CYS 22 -0.775 3.362 1.102 162 H ARG 23 HN ARG 23 -1.755 4.272 -2.851 163 HA ARG 23 HA ARG 23 -2.670 6.879 -2.037 164 HB2 ARG 23 2HB ARG 23 -4.164 5.561 -4.186 165 HB3 ARG 23 3HB ARG 23 -3.337 7.114 -4.175 166 HG2 ARG 23 2HG ARG 23 -1.178 5.715 -4.329 167 HG3 ARG 23 3HG ARG 23 -2.252 4.407 -4.830 168 HD2 ARG 23 2HD ARG 23 -2.674 5.348 -6.838 169 HD3 ARG 23 3HD ARG 23 -2.675 6.986 -6.185 170 HE ARG 23 HE ARG 23 -0.419 5.540 -7.275 171 HH11 ARG 23 1HH1 ARG 23 -1.503 8.237 -5.361 172 HH12 ARG 23 2HH1 ARG 23 -0.043 9.146 -5.578 173 HH21 ARG 23 1HH2 ARG 23 1.507 6.727 -7.569 174 HH22 ARG 23 2HH2 ARG 23 1.668 8.286 -6.835 175 H GLY 24 HN GLY 24 -3.347 4.111 -0.693 176 HA2 GLY 24 1HA GLY 24 -6.270 4.476 -0.615 177 HA3 GLY 24 2HA GLY 24 -5.421 3.005 -0.164 178 H CYS 25 HN CYS 25 -3.504 3.893 1.548 179 HA CYS 25 HA CYS 25 -5.125 4.918 3.776 180 HB2 CYS 25 2HB CYS 25 -3.199 3.920 5.163 181 HB3 CYS 25 3HB CYS 25 -4.313 2.801 4.383 182 H ASN 26 HN ASN 26 -2.443 5.612 1.758 183 HA ASN 26 HA ASN 26 -1.261 7.568 1.539 184 HB2 ASN 26 2HB ASN 26 -2.283 8.544 4.191 185 HB3 ASN 26 3HB ASN 26 -1.788 9.481 2.785 186 HD21 ASN 26 1HD2 ASN 26 -3.282 7.647 0.997 187 HD22 ASN 26 2HD2 ASN 26 -4.939 8.107 1.165 188 H HIS 27 HN HIS 27 -0.367 5.152 2.866 189 HA HIS 27 HA HIS 27 1.711 6.305 4.612 190 HB2 HIS 27 2HB HIS 27 0.426 3.572 4.770 191 HB3 HIS 27 3HB HIS 27 1.815 4.076 5.727 192 HD1 HIS 27 1HD HIS 27 0.911 6.835 6.652 193 HD2 HIS 27 2HD HIS 27 -1.566 3.500 6.610 194 HE1 HIS 27 1HE HIS 27 -0.897 7.319 8.331 195 H LEU 28 HN LEU 28 3.778 5.142 4.588 196 HA LEU 28 HA LEU 28 4.598 4.597 1.898 197 HB2 LEU 28 2HB LEU 28 6.067 4.447 4.524 198 HB3 LEU 28 3HB LEU 28 6.823 4.183 2.954 199 HG LEU 28 HG LEU 28 5.513 6.759 3.821 200 HD11 LEU 28 1HD1 LEU 28 8.457 6.287 3.494 201 HD12 LEU 28 2HD1 LEU 28 7.643 6.034 5.037 202 HD13 LEU 28 3HD1 LEU 28 7.630 7.629 4.286 203 HD21 LEU 28 1HD2 LEU 28 6.610 7.685 1.842 204 HD22 LEU 28 2HD2 LEU 28 5.474 6.407 1.410 205 HD23 LEU 28 3HD2 LEU 28 7.208 6.080 1.420 206 H VAL 29 HN VAL 29 5.533 2.669 1.106 207 HA VAL 29 HA VAL 29 5.346 0.242 2.670 208 HB VAL 29 HB VAL 29 4.006 -0.332 0.201 209 HG11 VAL 29 1HG1 VAL 29 2.645 -1.601 1.545 210 HG12 VAL 29 2HG1 VAL 29 4.068 -1.448 2.578 211 HG13 VAL 29 3HG1 VAL 29 2.659 -0.424 2.857 212 HG21 VAL 29 1HG2 VAL 29 2.630 1.736 1.914 213 HG22 VAL 29 2HG2 VAL 29 3.284 2.018 0.300 214 HG23 VAL 29 3HG2 VAL 29 1.938 0.900 0.524 215 H CYS 30 HN CYS 30 7.152 -0.821 2.238 216 HA CYS 30 HA CYS 30 9.007 -0.246 0.309 217 HB2 CYS 30 2HB CYS 30 9.923 -2.509 0.690 218 HB3 CYS 30 3HB CYS 30 9.496 -1.707 2.198 219 H ARG 31 HN ARG 31 9.751 -1.951 -1.407 220 HA ARG 31 HA ARG 31 7.624 -2.082 -3.355 221 HB2 ARG 31 2HB ARG 31 9.424 -2.918 -4.869 222 HB3 ARG 31 3HB ARG 31 9.780 -1.362 -4.131 223 HG2 ARG 31 2HG ARG 31 11.511 -2.173 -2.920 224 HG3 ARG 31 3HG ARG 31 10.768 -3.760 -2.716 225 HD2 ARG 31 2HD ARG 31 11.249 -3.528 -5.453 226 HD3 ARG 31 3HD ARG 31 12.685 -2.858 -4.679 227 HE ARG 31 HE ARG 31 11.969 -5.308 -3.464 228 HH11 ARG 31 1HH1 ARG 31 13.375 -4.004 -6.370 229 HH12 ARG 31 2HH1 ARG 31 14.320 -5.418 -6.703 230 HH21 ARG 31 1HH2 ARG 31 13.207 -7.175 -3.892 231 HH22 ARG 31 2HH2 ARG 31 14.223 -7.222 -5.293 232 H ASP 32 HN ASP 32 7.900 -3.905 -0.877 233 HA ASP 32 HA ASP 32 7.468 -6.429 -2.336 234 HB2 ASP 32 2HB ASP 32 9.588 -6.279 -0.895 235 HB3 ASP 32 3HB ASP 32 8.503 -6.300 0.491 236 H CYS 33 HN CYS 33 6.173 -4.073 -0.318 237 HA CYS 33 HA CYS 33 4.120 -5.899 0.731 238 HB2 CYS 33 2HB CYS 33 5.024 -3.155 1.598 239 HB3 CYS 33 3HB CYS 33 3.528 -3.878 2.178 240 H ARG 34 HN ARG 34 4.488 -4.424 -1.992 241 HA ARG 34 HA ARG 34 1.877 -3.078 -2.056 242 HB2 ARG 34 2HB ARG 34 3.565 -2.968 -4.465 243 HB3 ARG 34 3HB ARG 34 2.685 -1.686 -3.645 244 HG2 ARG 34 2HG ARG 34 4.438 -1.431 -2.030 245 HG3 ARG 34 3HG ARG 34 5.288 -2.839 -2.672 246 HD2 ARG 34 2HD ARG 34 5.912 -1.728 -4.620 247 HD3 ARG 34 3HD ARG 34 4.661 -0.499 -4.431 248 HE ARG 34 HE ARG 34 6.206 -0.036 -2.298 249 HH11 ARG 34 1HH1 ARG 34 6.990 -0.526 -5.654 250 HH12 ARG 34 2HH1 ARG 34 8.402 0.475 -5.605 251 HH21 ARG 34 1HH2 ARG 34 8.066 1.285 -2.221 252 HH22 ARG 34 2HH2 ARG 34 9.015 1.504 -3.651 253 H ILE 35 HN ILE 35 0.242 -3.783 -3.343 254 HA ILE 35 HA ILE 35 0.672 -6.361 -4.693 255 HB ILE 35 HB ILE 35 -1.723 -5.161 -3.353 256 HG12 ILE 35 2HG1 ILE 35 -1.831 -7.457 -2.373 257 HG13 ILE 35 3HG1 ILE 35 -0.366 -7.863 -3.261 258 HG21 ILE 35 1HG2 ILE 35 -1.702 -6.910 -5.727 259 HG22 ILE 35 2HG2 ILE 35 -2.787 -7.385 -4.421 260 HG23 ILE 35 3HG2 ILE 35 -2.934 -5.787 -5.153 261 HD11 ILE 35 1HD1 ILE 35 -0.342 -5.501 -1.457 262 HD12 ILE 35 2HD1 ILE 35 -0.263 -7.120 -0.761 263 HD13 ILE 35 3HD1 ILE 35 0.967 -6.593 -1.910 264 H GLN 36 HN GLN 36 0.768 -6.296 -6.831 265 HA GLN 36 HA GLN 36 0.263 -4.050 -8.400 266 HB2 GLN 36 2HB GLN 36 0.379 -6.972 -9.151 267 HB3 GLN 36 3HB GLN 36 0.301 -5.667 -10.327 268 HG2 GLN 36 2HG GLN 36 2.590 -6.718 -9.637 269 HG3 GLN 36 3HG GLN 36 2.441 -4.986 -9.929 270 HE21 GLN 36 1HE2 GLN 36 2.529 -3.562 -8.202 271 HE22 GLN 36 2HE2 GLN 36 3.105 -4.035 -6.643 272 H GLU 37 HN GLU 37 -1.642 -3.075 -8.604 273 HA GLU 37 HA GLU 37 -4.102 -4.635 -8.576 274 HB2 GLU 37 2HB GLU 37 -3.676 -1.642 -8.681 275 HB3 GLU 37 3HB GLU 37 -5.230 -2.447 -8.503 276 HG2 GLU 37 2HG GLU 37 -2.957 -2.699 -6.549 277 HG3 GLU 37 3HG GLU 37 -4.294 -1.561 -6.387 278 H SER 38 HN SER 38 -5.688 -4.500 -10.222 279 HA SER 38 HA SER 38 -4.533 -4.232 -12.878 280 HB2 SER 38 2HB SER 38 -6.867 -5.620 -11.701 281 HB3 SER 38 3HB SER 38 -7.080 -5.023 -13.347 282 HG SER 38 HG SER 38 -5.824 -7.206 -12.580 283 H ASN 39 HN ASN 39 -5.430 -1.960 -11.002 284 HA ASN 39 HA ASN 39 -7.366 -0.648 -12.773 285 HB2 ASN 39 2HB ASN 39 -7.109 -0.730 -9.979 286 HB3 ASN 39 3HB ASN 39 -6.644 0.904 -10.444 287 HD21 ASN 39 1HD2 ASN 39 -8.600 1.424 -9.208 288 HD22 ASN 39 2HD2 ASN 39 -10.121 1.403 -10.029 289 H GLY 40 HN GLY 40 -4.097 -0.889 -12.411 290 HA2 GLY 40 1HA GLY 40 -2.631 0.314 -13.869 291 HA3 GLY 40 2HA GLY 40 -3.701 1.702 -13.742 292 H THR 41 HN THR 41 -3.092 0.110 -10.793 293 HA THR 41 HA THR 41 -0.777 1.742 -10.131 294 HB THR 41 HB THR 41 -2.884 3.111 -9.676 295 HG1 THR 41 1HG THR 41 -1.571 4.065 -8.328 296 HG21 THR 41 1HG2 THR 41 -3.975 0.962 -8.637 297 HG22 THR 41 2HG2 THR 41 -4.329 2.555 -7.967 298 HG23 THR 41 3HG2 THR 41 -3.155 1.504 -7.174 299 H TRP 42 HN TRP 42 -1.083 1.442 -7.306 300 HA TRP 42 HA TRP 42 -1.229 -1.439 -6.866 301 HB2 TRP 42 2HB TRP 42 0.973 -1.544 -5.830 302 HB3 TRP 42 3HB TRP 42 1.120 -0.981 -7.492 303 HD1 TRP 42 1HD TRP 42 2.287 1.306 -7.873 304 HE1 TRP 42 1HE TRP 42 3.301 3.094 -6.324 305 HE3 TRP 42 3HE TRP 42 0.578 -0.446 -3.384 306 HZ2 TRP 42 2HZ TRP 42 3.368 3.683 -3.564 307 HZ3 TRP 42 3HZ TRP 42 1.162 0.787 -1.337 308 HH2 TRP 42 2HH TRP 42 2.530 2.808 -1.427 309 H ARG 43 HN ARG 43 -1.383 -2.033 -4.639 310 HA ARG 43 HA ARG 43 -1.774 0.150 -2.732 311 HB2 ARG 43 2HB ARG 43 -3.856 -1.846 -3.571 312 HB3 ARG 43 3HB ARG 43 -3.890 -1.139 -1.963 313 HG2 ARG 43 2HG ARG 43 -3.609 0.797 -4.148 314 HG3 ARG 43 3HG ARG 43 -5.129 -0.100 -4.133 315 HD2 ARG 43 2HD ARG 43 -4.529 0.692 -1.469 316 HD3 ARG 43 3HD ARG 43 -4.349 2.099 -2.516 317 HE ARG 43 HE ARG 43 -6.783 0.844 -1.756 318 HH11 ARG 43 1HH1 ARG 43 -5.219 2.495 -4.392 319 HH12 ARG 43 2HH1 ARG 43 -6.700 3.080 -5.075 320 HH21 ARG 43 1HH2 ARG 43 -8.739 1.609 -2.645 321 HH22 ARG 43 2HH2 ARG 43 -8.701 2.577 -4.080 322 H CYS 44 HN CYS 44 -1.288 -0.369 -0.639 323 HA CYS 44 HA CYS 44 0.494 -2.374 -0.067 324 HB2 CYS 44 2HB CYS 44 0.145 -1.899 2.257 325 HB3 CYS 44 3HB CYS 44 -0.036 -0.387 1.373 326 H LYS 45 HN LYS 45 0.243 -4.242 1.415 327 HA LYS 45 HA LYS 45 -1.663 -6.069 0.390 328 HB2 LYS 45 2HB LYS 45 -0.352 -6.670 2.982 329 HB3 LYS 45 3HB LYS 45 -0.516 -7.671 1.545 330 HG2 LYS 45 2HG LYS 45 1.169 -5.947 0.524 331 HG3 LYS 45 3HG LYS 45 1.556 -5.643 2.218 332 HD2 LYS 45 2HD LYS 45 3.058 -7.315 1.668 333 HD3 LYS 45 3HD LYS 45 1.725 -8.233 2.372 334 HE2 LYS 45 2HE LYS 45 0.862 -8.683 0.120 335 HE3 LYS 45 3HE LYS 45 2.209 -7.782 -0.572 336 HZ1 LYS 45 1HZ LYS 45 3.228 -9.716 1.184 337 HZ2 LYS 45 2HZ LYS 45 3.436 -9.603 -0.490 338 HZ3 LYS 45 3HZ LYS 45 2.133 -10.477 0.143 339 H VAL 46 HN VAL 46 -1.979 -3.642 2.658 340 HA VAL 46 HA VAL 46 -4.026 -5.027 4.224 341 HB VAL 46 HB VAL 46 -3.092 -2.180 4.570 342 HG11 VAL 46 1HG1 VAL 46 -5.054 -2.401 5.774 343 HG12 VAL 46 2HG1 VAL 46 -4.741 -4.090 6.175 344 HG13 VAL 46 3HG1 VAL 46 -3.834 -2.809 6.978 345 HG21 VAL 46 1HG2 VAL 46 -1.267 -3.972 4.703 346 HG22 VAL 46 2HG2 VAL 46 -1.434 -2.870 6.071 347 HG23 VAL 46 3HG2 VAL 46 -2.082 -4.507 6.173 348 H CYS 47 HN CYS 47 -3.716 -2.908 1.562 349 HA CYS 47 HA CYS 47 -6.525 -2.071 1.788 350 HB2 CYS 47 2HB CYS 47 -4.195 -0.949 0.237 351 HB3 CYS 47 3HB CYS 47 -5.857 -0.477 -0.100 352 H ALA 48 HN ALA 48 -4.235 -3.807 -0.199 353 HA ALA 48 HA ALA 48 -6.089 -4.176 -2.382 354 HB1 ALA 48 1HB ALA 48 -3.285 -4.529 -1.964 355 HB2 ALA 48 2HB ALA 48 -3.975 -6.025 -2.595 356 HB3 ALA 48 3HB ALA 48 -4.190 -4.512 -3.478 357 H LYS 49 HN LYS 49 -5.259 -5.801 0.547 358 HA LYS 49 HA LYS 49 -5.755 -8.427 0.169 359 HB2 LYS 49 2HB LYS 49 -6.010 -6.590 2.370 360 HB3 LYS 49 3HB LYS 49 -7.308 -7.775 2.432 361 HG2 LYS 49 2HG LYS 49 -5.679 -9.583 2.368 362 HG3 LYS 49 3HG LYS 49 -4.368 -8.406 2.272 363 HD2 LYS 49 2HD LYS 49 -4.374 -8.843 4.526 364 HD3 LYS 49 3HD LYS 49 -5.480 -7.469 4.463 365 HE2 LYS 49 2HE LYS 49 -6.786 -8.854 5.686 366 HE3 LYS 49 3HE LYS 49 -7.233 -9.459 4.091 367 HZ1 LYS 49 1HZ LYS 49 -6.215 -10.937 6.144 368 HZ2 LYS 49 2HZ LYS 49 -4.887 -10.730 5.118 369 HZ3 LYS 49 3HZ LYS 49 -6.313 -11.420 4.526 370 H GLU 50 HN GLU 50 -8.480 -6.589 1.469 371 HA GLU 50 HA GLU 50 -10.227 -7.231 -0.709 372 HB2 GLU 50 2HB GLU 50 -9.881 -9.287 1.059 373 HB3 GLU 50 3HB GLU 50 -11.275 -8.466 1.745 374 HG2 GLU 50 2HG GLU 50 -12.627 -8.996 0.003 375 HG3 GLU 50 3HG GLU 50 -11.308 -8.995 -1.166 376 H ILE 51 HN ILE 51 -10.446 -4.935 -0.536 377 HA ILE 51 HA ILE 51 -12.634 -4.167 1.168 378 HB ILE 51 HB ILE 51 -11.138 -3.596 2.826 379 HG12 ILE 51 2HG1 ILE 51 -11.027 -1.101 1.125 380 HG13 ILE 51 3HG1 ILE 51 -12.464 -1.613 2.004 381 HG21 ILE 51 1HG2 ILE 51 -8.991 -2.192 1.776 382 HG22 ILE 51 2HG2 ILE 51 -8.979 -3.857 2.352 383 HG23 ILE 51 3HG2 ILE 51 -9.241 -3.519 0.642 384 HD11 ILE 51 1HD1 ILE 51 -10.090 -0.244 2.946 385 HD12 ILE 51 2HD1 ILE 51 -11.690 -0.380 3.678 386 HD13 ILE 51 3HD1 ILE 51 -10.496 -1.654 3.926 387 H GLU 52 HN GLU 52 -13.912 -2.860 0.040 388 HA GLU 52 HA GLU 52 -12.717 -1.283 -2.143 389 HB2 GLU 52 2HB GLU 52 -14.910 -3.167 -2.144 390 HB3 GLU 52 3HB GLU 52 -15.452 -1.586 -2.685 391 HG2 GLU 52 2HG GLU 52 -12.929 -2.411 -3.884 392 HG3 GLU 52 3HG GLU 52 -14.269 -3.497 -4.244 393 H LEU 53 HN LEU 53 -13.168 0.849 -2.251 394 HA LEU 53 HA LEU 53 -14.284 2.137 0.021 395 HB2 LEU 53 2HB LEU 53 -12.530 2.906 -1.826 396 HB3 LEU 53 3HB LEU 53 -13.981 3.611 -2.536 397 HG LEU 53 HG LEU 53 -13.250 5.390 -1.320 398 HD11 LEU 53 1HD1 LEU 53 -14.659 5.711 0.497 399 HD12 LEU 53 2HD1 LEU 53 -14.562 4.024 1.001 400 HD13 LEU 53 3HD1 LEU 53 -15.488 4.464 -0.434 401 HD21 LEU 53 1HD2 LEU 53 -11.476 5.215 -0.001 402 HD22 LEU 53 2HD2 LEU 53 -11.607 3.458 -0.086 403 HD23 LEU 53 3HD2 LEU 53 -12.421 4.343 1.205 Start of MODEL 6 1 H1 SER 1 HN SER 1 7.241 9.924 11.725 2 HA SER 1 HA SER 1 7.697 11.014 9.483 3 HB2 SER 1 2HB SER 1 8.266 12.080 12.143 4 HB3 SER 1 3HB SER 1 9.180 12.899 10.876 5 HG SER 1 HG SER 1 7.223 13.927 11.049 6 H ASP 2 HN ASP 2 9.658 8.824 9.910 7 HA ASP 2 HA ASP 2 12.067 10.193 8.902 8 HB2 ASP 2 2HB ASP 2 11.817 7.620 10.468 9 HB3 ASP 2 3HB ASP 2 13.306 8.148 9.691 10 H ARG 3 HN ARG 3 9.482 8.637 7.816 11 HA ARG 3 HA ARG 3 9.020 7.733 5.764 12 HB2 ARG 3 2HB ARG 3 11.961 7.448 5.208 13 HB3 ARG 3 3HB ARG 3 10.640 7.638 4.062 14 HG2 ARG 3 2HG ARG 3 10.967 9.872 5.932 15 HG3 ARG 3 3HG ARG 3 12.320 9.619 4.828 16 HD2 ARG 3 2HD ARG 3 9.870 9.362 3.382 17 HD3 ARG 3 3HD ARG 3 9.840 10.865 4.303 18 HE ARG 3 HE ARG 3 12.319 10.649 3.012 19 HH11 ARG 3 1HH1 ARG 3 8.952 11.126 2.265 20 HH12 ARG 3 2HH1 ARG 3 9.266 12.035 0.825 21 HH21 ARG 3 1HH2 ARG 3 12.745 11.845 1.118 22 HH22 ARG 3 2HH2 ARG 3 11.424 12.442 0.172 23 H THR 4 HN THR 4 8.542 6.059 7.556 24 HA THR 4 HA THR 4 10.093 3.612 7.011 25 HB THR 4 HB THR 4 8.392 3.475 9.373 26 HG1 THR 4 1HG THR 4 8.923 5.651 9.627 27 HG21 THR 4 1HG2 THR 4 10.062 1.812 8.977 28 HG22 THR 4 2HG2 THR 4 10.577 2.748 10.381 29 HG23 THR 4 3HG2 THR 4 11.321 3.035 8.808 30 H CYS 5 HN CYS 5 8.973 1.670 6.685 31 HA CYS 5 HA CYS 5 6.591 1.842 5.224 32 HB2 CYS 5 2HB CYS 5 8.309 -0.006 5.115 33 HB3 CYS 5 3HB CYS 5 7.627 -0.634 6.611 34 H ALA 6 HN ALA 6 4.467 1.295 5.696 35 HA ALA 6 HA ALA 6 3.724 1.638 8.491 36 HB1 ALA 6 1HB ALA 6 2.364 1.969 5.885 37 HB2 ALA 6 2HB ALA 6 1.358 1.503 7.258 38 HB3 ALA 6 3HB ALA 6 2.318 2.981 7.330 39 H ARG 7 HN ARG 7 4.544 -0.923 6.657 40 HA ARG 7 HA ARG 7 2.661 -2.713 8.047 41 HB2 ARG 7 2HB ARG 7 4.025 -3.352 5.435 42 HB3 ARG 7 3HB ARG 7 2.698 -4.214 6.199 43 HG2 ARG 7 2HG ARG 7 2.574 -1.454 5.003 44 HG3 ARG 7 3HG ARG 7 1.907 -2.931 4.308 45 HD2 ARG 7 2HD ARG 7 0.990 -1.375 6.692 46 HD3 ARG 7 3HD ARG 7 0.059 -1.941 5.305 47 HE ARG 7 HE ARG 7 0.792 -4.246 6.451 48 HH11 ARG 7 1HH1 ARG 7 -0.596 -1.341 7.776 49 HH12 ARG 7 2HH1 ARG 7 -1.433 -2.166 9.049 50 HH21 ARG 7 1HH2 ARG 7 -0.304 -5.343 8.124 51 HH22 ARG 7 2HH2 ARG 7 -1.265 -4.442 9.247 52 H CYS 8 HN CYS 8 5.959 -2.164 6.970 53 HA CYS 8 HA CYS 8 6.858 -4.468 8.561 54 HB2 CYS 8 2HB CYS 8 8.439 -2.861 6.545 55 HB3 CYS 8 3HB CYS 8 8.928 -4.370 7.308 56 H GLN 9 HN GLN 9 6.867 -1.028 8.395 57 HA GLN 9 HA GLN 9 7.649 0.584 9.795 58 HB2 GLN 9 2HB GLN 9 7.585 -1.838 11.508 59 HB3 GLN 9 3HB GLN 9 8.522 -0.474 12.102 60 HG2 GLN 9 2HG GLN 9 6.052 -0.688 12.785 61 HG3 GLN 9 3HG GLN 9 6.670 0.889 12.295 62 HE21 GLN 9 1HE2 GLN 9 5.561 -1.962 10.497 63 HE22 GLN 9 2HE2 GLN 9 4.383 -1.122 9.555 64 H GLU 10 HN GLU 10 9.429 -0.717 7.904 65 HA GLU 10 HA GLU 10 12.011 -0.496 9.292 66 HB2 GLU 10 2HB GLU 10 11.042 -2.084 6.998 67 HB3 GLU 10 3HB GLU 10 12.662 -1.423 6.829 68 HG2 GLU 10 2HG GLU 10 11.753 -3.063 9.179 69 HG3 GLU 10 3HG GLU 10 12.571 -3.724 7.765 70 H SER 11 HN SER 11 13.776 0.563 8.101 71 HA SER 11 HA SER 11 13.078 3.169 7.324 72 HB2 SER 11 2HB SER 11 15.510 3.253 6.519 73 HB3 SER 11 3HB SER 11 15.249 2.872 8.221 74 HG SER 11 HG SER 11 16.496 1.236 7.733 75 H LEU 12 HN LEU 12 12.857 4.160 5.369 76 HA LEU 12 HA LEU 12 12.372 2.414 3.095 77 HB2 LEU 12 2HB LEU 12 11.769 5.272 3.734 78 HB3 LEU 12 3HB LEU 12 11.698 4.705 2.066 79 HG LEU 12 HG LEU 12 9.581 4.754 3.717 80 HD11 LEU 12 1HD1 LEU 12 10.322 3.287 1.295 81 HD12 LEU 12 2HD1 LEU 12 8.899 4.270 1.641 82 HD13 LEU 12 3HD1 LEU 12 8.964 2.591 2.180 83 HD21 LEU 12 1HD2 LEU 12 9.120 2.644 4.674 84 HD22 LEU 12 2HD2 LEU 12 10.750 3.070 5.198 85 HD23 LEU 12 3HD2 LEU 12 10.519 1.901 3.896 86 H GLY 13 HN GLY 13 15.109 2.829 3.985 87 HA2 GLY 13 1HA GLY 13 16.673 4.626 2.710 88 HA3 GLY 13 2HA GLY 13 17.130 2.936 2.859 89 H ARG 14 HN ARG 14 16.913 5.337 0.706 90 HA ARG 14 HA ARG 14 16.439 5.504 -1.552 91 HB2 ARG 14 2HB ARG 14 18.675 4.687 -1.599 92 HB3 ARG 14 3HB ARG 14 18.155 3.044 -1.250 93 HG2 ARG 14 2HG ARG 14 17.621 2.609 -3.398 94 HG3 ARG 14 3HG ARG 14 17.075 4.258 -3.711 95 HD2 ARG 14 2HD ARG 14 18.998 4.651 -4.749 96 HD3 ARG 14 3HD ARG 14 19.834 4.423 -3.213 97 HE ARG 14 HE ARG 14 19.520 1.897 -4.103 98 HH11 ARG 14 1HH1 ARG 14 20.783 4.790 -5.571 99 HH12 ARG 14 2HH1 ARG 14 21.898 3.942 -6.592 100 HH21 ARG 14 1HH2 ARG 14 20.983 0.769 -5.441 101 HH22 ARG 14 2HH2 ARG 14 22.010 1.655 -6.517 102 H LEU 15 HN LEU 15 14.102 4.950 -0.973 103 HA LEU 15 HA LEU 15 13.321 2.524 -2.450 104 HB2 LEU 15 2HB LEU 15 12.897 2.910 0.202 105 HB3 LEU 15 3HB LEU 15 11.410 3.571 -0.476 106 HG LEU 15 HG LEU 15 12.233 0.898 -1.444 107 HD11 LEU 15 1HD1 LEU 15 12.680 0.950 1.056 108 HD12 LEU 15 2HD1 LEU 15 11.566 -0.285 0.472 109 HD13 LEU 15 3HD1 LEU 15 10.942 1.167 1.254 110 HD21 LEU 15 1HD2 LEU 15 9.815 0.519 -1.295 111 HD22 LEU 15 2HD2 LEU 15 10.196 1.963 -2.236 112 HD23 LEU 15 3HD2 LEU 15 9.614 2.118 -0.577 113 H SER 16 HN SER 16 12.827 5.903 -1.848 114 HA SER 16 HA SER 16 11.896 7.479 -3.246 115 HB2 SER 16 2HB SER 16 12.225 5.620 -5.052 116 HB3 SER 16 3HB SER 16 10.492 5.363 -4.847 117 HG SER 16 HG SER 16 11.575 7.927 -5.332 118 HA PRO 17 HA PRO 17 8.155 6.732 -0.637 119 HB2 PRO 17 2HB PRO 17 8.312 9.113 0.655 120 HB3 PRO 17 3HB PRO 17 9.190 7.674 1.184 121 HG2 PRO 17 2HG PRO 17 10.168 10.009 -0.414 122 HG3 PRO 17 3HG PRO 17 10.963 9.157 0.923 123 HD2 PRO 17 2HD PRO 17 11.594 8.706 -1.671 124 HD3 PRO 17 3HD PRO 17 11.681 7.437 -0.433 125 H LYS 18 HN LYS 18 9.040 8.705 -3.166 126 HA LYS 18 HA LYS 18 6.840 10.539 -3.146 127 HB2 LYS 18 2HB LYS 18 9.009 10.986 -4.291 128 HB3 LYS 18 3HB LYS 18 8.609 9.735 -5.462 129 HG2 LYS 18 2HG LYS 18 8.092 11.828 -6.448 130 HG3 LYS 18 3HG LYS 18 6.561 11.048 -6.040 131 HD2 LYS 18 2HD LYS 18 6.009 12.930 -4.980 132 HD3 LYS 18 3HD LYS 18 7.221 12.504 -3.769 133 HE2 LYS 18 2HE LYS 18 8.715 14.026 -4.536 134 HE3 LYS 18 3HE LYS 18 8.218 13.825 -6.216 135 HZ1 LYS 18 1HZ LYS 18 6.914 15.454 -4.115 136 HZ2 LYS 18 2HZ LYS 18 6.137 15.058 -5.564 137 HZ3 LYS 18 3HZ LYS 18 7.559 15.975 -5.590 138 H THR 19 HN THR 19 7.232 7.273 -4.027 139 HA THR 19 HA THR 19 4.543 7.265 -5.198 140 HB THR 19 HB THR 19 5.092 6.135 -7.112 141 HG1 THR 19 1HG THR 19 6.122 4.359 -6.231 142 HG21 THR 19 1HG2 THR 19 6.251 8.320 -7.155 143 HG22 THR 19 2HG2 THR 19 7.066 7.103 -8.137 144 HG23 THR 19 3HG2 THR 19 7.709 7.534 -6.552 145 H ASN 20 HN ASN 20 5.936 6.446 -2.616 146 HA ASN 20 HA ASN 20 5.088 3.624 -2.603 147 HB2 ASN 20 2HB ASN 20 6.997 4.965 -0.679 148 HB3 ASN 20 3HB ASN 20 6.623 3.247 -0.769 149 HD21 ASN 20 1HD2 ASN 20 9.203 4.074 -0.866 150 HD22 ASN 20 2HD2 ASN 20 9.847 3.834 -2.450 151 H THR 21 HN THR 21 3.607 6.258 -2.129 152 HA THR 21 HA THR 21 2.689 5.804 0.620 153 HB THR 21 HB THR 21 1.959 8.096 -1.209 154 HG1 THR 21 1HG THR 21 3.527 9.231 0.159 155 HG21 THR 21 1HG2 THR 21 1.650 7.637 1.757 156 HG22 THR 21 2HG2 THR 21 0.365 7.833 0.563 157 HG23 THR 21 3HG2 THR 21 1.407 9.197 0.971 158 H CYS 22 HN CYS 22 1.316 4.075 0.462 159 HA CYS 22 HA CYS 22 -0.402 3.286 -1.452 160 HB2 CYS 22 2HB CYS 22 -0.111 2.182 0.760 161 HB3 CYS 22 3HB CYS 22 -1.143 3.414 1.477 162 H ARG 23 HN ARG 23 -2.044 4.127 -2.549 163 HA ARG 23 HA ARG 23 -3.074 6.721 -1.870 164 HB2 ARG 23 2HB ARG 23 -4.495 5.221 -3.953 165 HB3 ARG 23 3HB ARG 23 -3.752 6.814 -4.018 166 HG2 ARG 23 2HG ARG 23 -1.529 5.393 -4.003 167 HG3 ARG 23 3HG ARG 23 -2.603 4.154 -4.655 168 HD2 ARG 23 2HD ARG 23 -2.629 5.132 -6.653 169 HD3 ARG 23 3HD ARG 23 -3.064 6.687 -5.945 170 HE ARG 23 HE ARG 23 -0.920 7.331 -6.331 171 HH11 ARG 23 1HH1 ARG 23 -0.949 3.880 -5.873 172 HH12 ARG 23 2HH1 ARG 23 0.757 3.702 -6.124 173 HH21 ARG 23 1HH2 ARG 23 1.325 7.110 -6.662 174 HH22 ARG 23 2HH2 ARG 23 2.050 5.539 -6.572 175 H GLY 24 HN GLY 24 -3.727 3.823 -0.586 176 HA2 GLY 24 1HA GLY 24 -6.609 4.399 -0.276 177 HA3 GLY 24 2HA GLY 24 -5.920 2.785 -0.203 178 H CYS 25 HN CYS 25 -3.639 4.341 1.332 179 HA CYS 25 HA CYS 25 -5.023 4.358 3.933 180 HB2 CYS 25 2HB CYS 25 -2.316 3.187 3.269 181 HB3 CYS 25 3HB CYS 25 -2.902 3.435 4.911 182 H ASN 26 HN ASN 26 -2.569 5.713 1.862 183 HA ASN 26 HA ASN 26 -1.722 7.850 1.847 184 HB2 ASN 26 2HB ASN 26 -2.748 8.363 4.621 185 HB3 ASN 26 3HB ASN 26 -2.498 9.504 3.303 186 HD21 ASN 26 1HD2 ASN 26 -3.786 7.965 1.291 187 HD22 ASN 26 2HD2 ASN 26 -5.481 7.994 1.622 188 H HIS 27 HN HIS 27 -0.756 5.319 3.384 189 HA HIS 27 HA HIS 27 1.394 6.656 4.889 190 HB2 HIS 27 2HB HIS 27 0.295 3.854 5.192 191 HB3 HIS 27 3HB HIS 27 1.668 4.497 6.088 192 HD1 HIS 27 1HD HIS 27 0.629 7.192 6.984 193 HD2 HIS 27 2HD HIS 27 -1.680 3.737 7.040 194 HE1 HIS 27 1HE HIS 27 -1.175 7.616 8.684 195 H LEU 28 HN LEU 28 3.496 5.453 4.873 196 HA LEU 28 HA LEU 28 4.271 4.963 2.156 197 HB2 LEU 28 2HB LEU 28 5.735 4.930 4.778 198 HB3 LEU 28 3HB LEU 28 6.515 4.461 3.268 199 HG LEU 28 HG LEU 28 5.285 7.166 3.792 200 HD11 LEU 28 1HD1 LEU 28 7.354 7.997 4.354 201 HD12 LEU 28 2HD1 LEU 28 8.220 6.664 3.590 202 HD13 LEU 28 3HD1 LEU 28 7.393 6.413 5.128 203 HD21 LEU 28 1HD2 LEU 28 7.203 7.255 1.756 204 HD22 LEU 28 2HD2 LEU 28 5.454 7.418 1.593 205 HD23 LEU 28 3HD2 LEU 28 6.213 5.835 1.419 206 H VAL 29 HN VAL 29 5.312 3.053 1.372 207 HA VAL 29 HA VAL 29 5.131 0.609 2.897 208 HB VAL 29 HB VAL 29 3.789 0.086 0.400 209 HG11 VAL 29 1HG1 VAL 29 2.460 -0.195 3.044 210 HG12 VAL 29 2HG1 VAL 29 2.531 -1.322 1.688 211 HG13 VAL 29 3HG1 VAL 29 3.929 -1.123 2.747 212 HG21 VAL 29 1HG2 VAL 29 1.698 1.236 0.806 213 HG22 VAL 29 2HG2 VAL 29 2.367 2.002 2.247 214 HG23 VAL 29 3HG2 VAL 29 3.004 2.410 0.653 215 H CYS 30 HN CYS 30 6.963 -0.408 2.459 216 HA CYS 30 HA CYS 30 8.787 0.214 0.505 217 HB2 CYS 30 2HB CYS 30 9.817 -1.965 0.935 218 HB3 CYS 30 3HB CYS 30 9.296 -1.214 2.440 219 H ARG 31 HN ARG 31 9.568 -1.426 -1.223 220 HA ARG 31 HA ARG 31 7.430 -1.676 -3.136 221 HB2 ARG 31 2HB ARG 31 9.236 -2.483 -4.653 222 HB3 ARG 31 3HB ARG 31 9.570 -0.914 -3.931 223 HG2 ARG 31 2HG ARG 31 11.124 -1.868 -2.396 224 HG3 ARG 31 3HG ARG 31 10.667 -3.504 -2.869 225 HD2 ARG 31 2HD ARG 31 11.570 -3.157 -5.084 226 HD3 ARG 31 3HD ARG 31 11.924 -1.472 -4.707 227 HE ARG 31 HE ARG 31 13.212 -3.254 -2.896 228 HH11 ARG 31 1HH1 ARG 31 13.410 -1.898 -6.096 229 HH12 ARG 31 2HH1 ARG 31 15.129 -2.073 -6.205 230 HH21 ARG 31 1HH2 ARG 31 15.477 -3.490 -3.028 231 HH22 ARG 31 2HH2 ARG 31 16.304 -2.980 -4.461 232 H ASP 32 HN ASP 32 7.980 -3.494 -0.614 233 HA ASP 32 HA ASP 32 7.629 -6.056 -2.025 234 HB2 ASP 32 2HB ASP 32 9.618 -5.817 -0.477 235 HB3 ASP 32 3HB ASP 32 8.470 -5.702 0.853 236 H CYS 33 HN CYS 33 6.095 -3.717 -0.122 237 HA CYS 33 HA CYS 33 4.037 -5.608 0.782 238 HB2 CYS 33 2HB CYS 33 4.704 -2.789 1.633 239 HB3 CYS 33 3HB CYS 33 3.242 -3.624 2.151 240 H ARG 34 HN ARG 34 4.642 -3.842 -1.851 241 HA ARG 34 HA ARG 34 1.957 -2.737 -2.177 242 HB2 ARG 34 2HB ARG 34 3.826 -2.581 -4.445 243 HB3 ARG 34 3HB ARG 34 2.839 -1.326 -3.708 244 HG2 ARG 34 2HG ARG 34 4.474 -1.160 -1.871 245 HG3 ARG 34 3HG ARG 34 5.480 -2.356 -2.691 246 HD2 ARG 34 2HD ARG 34 4.658 0.323 -3.811 247 HD3 ARG 34 3HD ARG 34 6.236 -0.063 -3.128 248 HE ARG 34 HE ARG 34 5.794 -1.909 -5.131 249 HH11 ARG 34 1HH1 ARG 34 6.056 1.553 -4.867 250 HH12 ARG 34 2HH1 ARG 34 6.686 1.758 -6.468 251 HH21 ARG 34 1HH2 ARG 34 6.624 -1.651 -7.241 252 HH22 ARG 34 2HH2 ARG 34 7.008 -0.065 -7.817 253 H ILE 35 HN ILE 35 0.424 -3.614 -3.442 254 HA ILE 35 HA ILE 35 1.127 -6.074 -4.903 255 HB ILE 35 HB ILE 35 -1.256 -5.307 -3.303 256 HG12 ILE 35 2HG1 ILE 35 -1.153 -7.850 -2.922 257 HG13 ILE 35 3HG1 ILE 35 0.384 -7.790 -3.780 258 HG21 ILE 35 1HG2 ILE 35 -2.436 -7.258 -4.587 259 HG22 ILE 35 2HG2 ILE 35 -2.504 -5.609 -5.207 260 HG23 ILE 35 3HG2 ILE 35 -1.368 -6.764 -5.901 261 HD11 ILE 35 1HD1 ILE 35 0.097 -7.532 -1.105 262 HD12 ILE 35 2HD1 ILE 35 1.460 -6.905 -2.033 263 HD13 ILE 35 3HD1 ILE 35 0.118 -5.842 -1.611 264 H GLN 36 HN GLN 36 1.364 -5.620 -6.998 265 HA GLN 36 HA GLN 36 0.434 -3.462 -8.412 266 HB2 GLN 36 2HB GLN 36 1.516 -6.084 -9.060 267 HB3 GLN 36 3HB GLN 36 0.379 -5.521 -10.279 268 HG2 GLN 36 2HG GLN 36 2.692 -3.881 -9.283 269 HG3 GLN 36 3HG GLN 36 2.773 -4.936 -10.692 270 HE21 GLN 36 1HE2 GLN 36 1.438 -2.014 -9.366 271 HE22 GLN 36 2HE2 GLN 36 0.900 -1.339 -10.862 272 H GLU 37 HN GLU 37 -1.543 -2.744 -8.805 273 HA GLU 37 HA GLU 37 -3.797 -4.601 -8.705 274 HB2 GLU 37 2HB GLU 37 -3.664 -1.583 -8.728 275 HB3 GLU 37 3HB GLU 37 -5.166 -2.495 -8.741 276 HG2 GLU 37 2HG GLU 37 -3.089 -2.771 -6.589 277 HG3 GLU 37 3HG GLU 37 -4.435 -1.635 -6.505 278 H SER 38 HN SER 38 -5.579 -4.255 -10.300 279 HA SER 38 HA SER 38 -4.428 -4.140 -12.982 280 HB2 SER 38 2HB SER 38 -6.989 -5.258 -11.860 281 HB3 SER 38 3HB SER 38 -6.778 -5.025 -13.595 282 HG SER 38 HG SER 38 -4.632 -6.232 -12.942 283 H ASN 39 HN ASN 39 -5.158 -1.775 -11.220 284 HA ASN 39 HA ASN 39 -7.056 -0.464 -13.049 285 HB2 ASN 39 2HB ASN 39 -7.007 -0.580 -10.239 286 HB3 ASN 39 3HB ASN 39 -6.516 1.059 -10.656 287 HD21 ASN 39 1HD2 ASN 39 -8.609 1.421 -9.490 288 HD22 ASN 39 2HD2 ASN 39 -10.046 1.456 -10.448 289 H GLY 40 HN GLY 40 -3.858 -0.787 -12.628 290 HA2 GLY 40 1HA GLY 40 -2.292 0.453 -13.920 291 HA3 GLY 40 2HA GLY 40 -3.340 1.858 -13.788 292 H THR 41 HN THR 41 -3.446 0.805 -10.785 293 HA THR 41 HA THR 41 -1.000 2.242 -9.978 294 HB THR 41 HB THR 41 -3.163 3.452 -9.513 295 HG1 THR 41 1HG THR 41 -1.340 3.943 -8.275 296 HG21 THR 41 1HG2 THR 41 -3.860 0.918 -8.417 297 HG22 THR 41 2HG2 THR 41 -4.852 2.371 -8.544 298 HG23 THR 41 3HG2 THR 41 -3.858 2.104 -7.112 299 H TRP 42 HN TRP 42 -1.325 1.737 -7.207 300 HA TRP 42 HA TRP 42 -1.301 -1.164 -6.927 301 HB2 TRP 42 2HB TRP 42 0.902 -1.188 -5.863 302 HB3 TRP 42 3HB TRP 42 1.017 -0.580 -7.513 303 HD1 TRP 42 1HD TRP 42 2.100 1.750 -7.839 304 HE1 TRP 42 1HE TRP 42 3.007 3.561 -6.252 305 HE3 TRP 42 3HE TRP 42 0.403 -0.135 -3.400 306 HZ2 TRP 42 2HZ TRP 42 3.005 4.118 -3.485 307 HZ3 TRP 42 3HZ TRP 42 0.899 1.097 -1.329 308 HH2 TRP 42 2HH TRP 42 2.174 3.179 -1.373 309 H ARG 43 HN ARG 43 -1.375 -1.880 -4.716 310 HA ARG 43 HA ARG 43 -1.904 0.170 -2.704 311 HB2 ARG 43 2HB ARG 43 -3.869 -1.917 -3.618 312 HB3 ARG 43 3HB ARG 43 -3.949 -1.231 -2.001 313 HG2 ARG 43 2HG ARG 43 -3.738 0.825 -4.025 314 HG3 ARG 43 3HG ARG 43 -5.131 -0.226 -4.290 315 HD2 ARG 43 2HD ARG 43 -4.784 0.528 -1.498 316 HD3 ARG 43 3HD ARG 43 -5.016 1.915 -2.560 317 HE ARG 43 HE ARG 43 -6.950 -0.140 -1.924 318 HH11 ARG 43 1HH1 ARG 43 -6.055 2.463 -4.055 319 HH12 ARG 43 2HH1 ARG 43 -7.672 2.733 -4.617 320 HH21 ARG 43 1HH2 ARG 43 -9.083 0.204 -2.656 321 HH22 ARG 43 2HH2 ARG 43 -9.393 1.448 -3.820 322 H CYS 44 HN CYS 44 -1.283 -0.399 -0.682 323 HA CYS 44 HA CYS 44 0.591 -2.286 -0.175 324 HB2 CYS 44 2HB CYS 44 0.174 -2.004 2.153 325 HB3 CYS 44 3HB CYS 44 -0.232 -0.470 1.389 326 H LYS 45 HN LYS 45 0.487 -4.280 1.165 327 HA LYS 45 HA LYS 45 -1.131 -6.226 -0.079 328 HB2 LYS 45 2HB LYS 45 0.108 -6.711 2.602 329 HB3 LYS 45 3HB LYS 45 -0.010 -7.790 1.218 330 HG2 LYS 45 2HG LYS 45 1.586 -6.064 0.092 331 HG3 LYS 45 3HG LYS 45 1.948 -5.609 1.759 332 HD2 LYS 45 2HD LYS 45 3.441 -7.272 1.729 333 HD3 LYS 45 3HD LYS 45 2.056 -8.362 1.821 334 HE2 LYS 45 2HE LYS 45 1.991 -8.513 -0.605 335 HE3 LYS 45 3HE LYS 45 3.326 -7.369 -0.730 336 HZ1 LYS 45 1HZ LYS 45 4.076 -9.655 -0.975 337 HZ2 LYS 45 2HZ LYS 45 3.467 -10.044 0.554 338 HZ3 LYS 45 3HZ LYS 45 4.748 -8.949 0.408 339 H VAL 46 HN VAL 46 -1.786 -4.060 2.446 340 HA VAL 46 HA VAL 46 -3.845 -5.724 3.663 341 HB VAL 46 HB VAL 46 -3.217 -2.843 4.299 342 HG11 VAL 46 1HG1 VAL 46 -5.149 -3.191 5.426 343 HG12 VAL 46 2HG1 VAL 46 -4.943 -4.943 5.461 344 HG13 VAL 46 3HG1 VAL 46 -4.058 -3.925 6.599 345 HG21 VAL 46 1HG2 VAL 46 -1.401 -3.416 5.468 346 HG22 VAL 46 2HG2 VAL 46 -2.184 -4.843 6.149 347 HG23 VAL 46 3HG2 VAL 46 -1.435 -4.925 4.554 348 H CYS 47 HN CYS 47 -3.535 -3.382 1.199 349 HA CYS 47 HA CYS 47 -6.381 -2.694 1.291 350 HB2 CYS 47 2HB CYS 47 -3.972 -1.500 -0.006 351 HB3 CYS 47 3HB CYS 47 -5.541 -1.235 -0.761 352 H ALA 48 HN ALA 48 -3.951 -4.072 -0.895 353 HA ALA 48 HA ALA 48 -5.713 -4.598 -3.037 354 HB1 ALA 48 1HB ALA 48 -3.115 -5.949 -2.318 355 HB2 ALA 48 2HB ALA 48 -3.948 -6.085 -3.867 356 HB3 ALA 48 3HB ALA 48 -3.305 -4.528 -3.345 357 H LYS 49 HN LYS 49 -5.132 -6.214 -0.044 358 HA LYS 49 HA LYS 49 -6.493 -8.640 -0.958 359 HB2 LYS 49 2HB LYS 49 -4.809 -7.951 1.419 360 HB3 LYS 49 3HB LYS 49 -5.928 -9.304 1.520 361 HG2 LYS 49 2HG LYS 49 -4.127 -9.200 -0.829 362 HG3 LYS 49 3HG LYS 49 -3.412 -9.588 0.738 363 HD2 LYS 49 2HD LYS 49 -4.213 -11.661 0.643 364 HD3 LYS 49 3HD LYS 49 -5.852 -11.059 0.381 365 HE2 LYS 49 2HE LYS 49 -5.003 -12.556 -1.424 366 HE3 LYS 49 3HE LYS 49 -5.511 -10.963 -1.982 367 HZ1 LYS 49 1HZ LYS 49 -3.350 -11.824 -2.900 368 HZ2 LYS 49 2HZ LYS 49 -2.689 -11.605 -1.359 369 HZ3 LYS 49 3HZ LYS 49 -3.290 -10.277 -2.219 370 H GLU 50 HN GLU 50 -8.261 -6.683 -1.039 371 HA GLU 50 HA GLU 50 -10.279 -7.480 0.751 372 HB2 GLU 50 2HB GLU 50 -9.501 -6.271 2.530 373 HB3 GLU 50 3HB GLU 50 -8.680 -5.096 1.512 374 HG2 GLU 50 2HG GLU 50 -11.659 -5.164 1.570 375 HG3 GLU 50 3HG GLU 50 -10.772 -4.407 2.892 376 H ILE 51 HN ILE 51 -12.232 -6.962 -0.067 377 HA ILE 51 HA ILE 51 -12.488 -4.689 -1.879 378 HB ILE 51 HB ILE 51 -13.830 -6.274 -3.440 379 HG12 ILE 51 2HG1 ILE 51 -11.835 -8.316 -2.536 380 HG13 ILE 51 3HG1 ILE 51 -13.370 -8.177 -1.685 381 HG21 ILE 51 1HG2 ILE 51 -10.816 -6.302 -3.363 382 HG22 ILE 51 2HG2 ILE 51 -11.806 -6.715 -4.762 383 HG23 ILE 51 3HG2 ILE 51 -11.833 -5.074 -4.116 384 HD11 ILE 51 1HD1 ILE 51 -14.488 -8.440 -3.931 385 HD12 ILE 51 2HD1 ILE 51 -12.902 -8.890 -4.560 386 HD13 ILE 51 3HD1 ILE 51 -13.657 -9.861 -3.296 387 H GLU 52 HN GLU 52 -13.517 -5.796 0.802 388 HA GLU 52 HA GLU 52 -16.389 -5.501 0.210 389 HB2 GLU 52 2HB GLU 52 -15.310 -6.759 2.719 390 HB3 GLU 52 3HB GLU 52 -16.915 -6.912 2.017 391 HG2 GLU 52 2HG GLU 52 -14.488 -7.955 0.608 392 HG3 GLU 52 3HG GLU 52 -15.324 -8.901 1.838 393 H LEU 53 HN LEU 53 -15.136 -3.176 0.329 394 HA LEU 53 HA LEU 53 -15.656 -2.161 3.046 395 HB2 LEU 53 2HB LEU 53 -13.273 -2.077 1.891 396 HB3 LEU 53 3HB LEU 53 -13.956 -0.635 1.145 397 HG LEU 53 HG LEU 53 -14.356 -0.645 4.015 398 HD11 LEU 53 1HD1 LEU 53 -11.607 -1.118 2.943 399 HD12 LEU 53 2HD1 LEU 53 -12.384 -1.795 4.374 400 HD13 LEU 53 3HD1 LEU 53 -11.847 -0.115 4.374 401 HD21 LEU 53 1HD2 LEU 53 -14.425 1.234 2.228 402 HD22 LEU 53 2HD2 LEU 53 -12.677 1.282 2.460 403 HD23 LEU 53 3HD2 LEU 53 -13.757 1.581 3.823 Start of MODEL 7 1 H1 SER 1 HN SER 1 7.773 11.366 12.438 2 HA SER 1 HA SER 1 7.750 10.085 10.169 3 HB2 SER 1 2HB SER 1 8.318 13.037 10.448 4 HB3 SER 1 3HB SER 1 7.954 12.282 8.896 5 HG SER 1 HG SER 1 6.193 11.643 10.909 6 H ASP 2 HN ASP 2 9.594 8.696 10.098 7 HA ASP 2 HA ASP 2 12.025 9.977 9.037 8 HB2 ASP 2 2HB ASP 2 11.912 7.185 10.160 9 HB3 ASP 2 3HB ASP 2 13.320 8.219 9.929 10 H ARG 3 HN ARG 3 9.333 8.454 8.024 11 HA ARG 3 HA ARG 3 8.765 7.644 5.958 12 HB2 ARG 3 2HB ARG 3 11.661 7.393 5.203 13 HB3 ARG 3 3HB ARG 3 10.269 7.680 4.165 14 HG2 ARG 3 2HG ARG 3 10.492 9.827 6.029 15 HG3 ARG 3 3HG ARG 3 12.055 9.565 5.254 16 HD2 ARG 3 2HD ARG 3 11.289 10.157 3.199 17 HD3 ARG 3 3HD ARG 3 9.670 9.530 3.504 18 HE ARG 3 HE ARG 3 10.184 11.822 5.092 19 HH11 ARG 3 1HH1 ARG 3 9.422 10.827 1.844 20 HH12 ARG 3 2HH1 ARG 3 8.641 12.318 1.432 21 HH21 ARG 3 1HH2 ARG 3 9.158 13.789 4.562 22 HH22 ARG 3 2HH2 ARG 3 8.492 14.002 2.978 23 H THR 4 HN THR 4 8.419 5.889 7.712 24 HA THR 4 HA THR 4 9.995 3.497 7.019 25 HB THR 4 HB THR 4 8.277 3.234 9.365 26 HG1 THR 4 1HG THR 4 10.424 4.715 10.128 27 HG21 THR 4 1HG2 THR 4 10.240 2.240 10.318 28 HG22 THR 4 2HG2 THR 4 11.268 2.958 9.077 29 HG23 THR 4 3HG2 THR 4 10.116 1.694 8.646 30 H CYS 5 HN CYS 5 8.918 1.534 6.634 31 HA CYS 5 HA CYS 5 6.576 1.689 5.123 32 HB2 CYS 5 2HB CYS 5 8.296 -0.143 5.033 33 HB3 CYS 5 3HB CYS 5 7.613 -0.779 6.526 34 H ALA 6 HN ALA 6 4.439 1.225 5.533 35 HA ALA 6 HA ALA 6 3.607 1.521 8.298 36 HB1 ALA 6 1HB ALA 6 1.284 1.339 6.969 37 HB2 ALA 6 2HB ALA 6 2.208 2.836 7.107 38 HB3 ALA 6 3HB ALA 6 2.341 1.848 5.651 39 H ARG 7 HN ARG 7 4.660 -1.039 6.750 40 HA ARG 7 HA ARG 7 2.728 -2.841 8.041 41 HB2 ARG 7 2HB ARG 7 4.069 -3.835 5.594 42 HB3 ARG 7 3HB ARG 7 2.447 -4.147 6.196 43 HG2 ARG 7 2HG ARG 7 3.316 -1.573 4.900 44 HG3 ARG 7 3HG ARG 7 2.501 -2.896 4.063 45 HD2 ARG 7 2HD ARG 7 0.495 -2.404 4.966 46 HD3 ARG 7 3HD ARG 7 1.191 -1.973 6.528 47 HE ARG 7 HE ARG 7 1.945 0.095 5.006 48 HH11 ARG 7 1HH1 ARG 7 -1.133 -1.485 5.400 49 HH12 ARG 7 2HH1 ARG 7 -2.056 -0.054 5.080 50 HH21 ARG 7 1HH2 ARG 7 0.741 1.985 4.583 51 HH22 ARG 7 2HH2 ARG 7 -0.988 1.919 4.615 52 H CYS 8 HN CYS 8 6.010 -2.222 6.980 53 HA CYS 8 HA CYS 8 6.954 -4.516 8.559 54 HB2 CYS 8 2HB CYS 8 8.470 -2.882 6.514 55 HB3 CYS 8 3HB CYS 8 9.040 -4.343 7.314 56 H GLN 9 HN GLN 9 6.977 -1.062 8.329 57 HA GLN 9 HA GLN 9 7.701 0.559 9.751 58 HB2 GLN 9 2HB GLN 9 7.554 -1.839 11.442 59 HB3 GLN 9 3HB GLN 9 8.659 -0.605 12.034 60 HG2 GLN 9 2HG GLN 9 7.003 0.764 12.634 61 HG3 GLN 9 3HG GLN 9 6.073 0.440 11.172 62 HE21 GLN 9 1HE2 GLN 9 4.941 -1.662 11.104 63 HE22 GLN 9 2HE2 GLN 9 4.256 -2.262 12.572 64 H GLU 10 HN GLU 10 9.505 -0.814 7.876 65 HA GLU 10 HA GLU 10 12.081 -0.424 9.241 66 HB2 GLU 10 2HB GLU 10 11.138 -2.313 7.224 67 HB3 GLU 10 3HB GLU 10 12.643 -1.527 6.766 68 HG2 GLU 10 2HG GLU 10 13.466 -2.169 9.103 69 HG3 GLU 10 3HG GLU 10 12.081 -3.257 9.143 70 H SER 11 HN SER 11 13.616 0.955 8.408 71 HA SER 11 HA SER 11 12.826 3.298 7.209 72 HB2 SER 11 2HB SER 11 14.977 3.032 8.371 73 HB3 SER 11 3HB SER 11 15.568 2.019 7.053 74 HG SER 11 HG SER 11 16.290 3.957 6.473 75 H LEU 12 HN LEU 12 12.575 4.046 5.171 76 HA LEU 12 HA LEU 12 12.384 2.105 3.050 77 HB2 LEU 12 2HB LEU 12 11.798 5.040 3.267 78 HB3 LEU 12 3HB LEU 12 11.745 4.203 1.717 79 HG LEU 12 HG LEU 12 9.600 4.567 3.298 80 HD11 LEU 12 1HD1 LEU 12 10.330 2.875 1.080 81 HD12 LEU 12 2HD1 LEU 12 8.816 3.717 1.403 82 HD13 LEU 12 3HD1 LEU 12 9.095 2.114 2.083 83 HD21 LEU 12 1HD2 LEU 12 10.650 1.829 4.007 84 HD22 LEU 12 2HD2 LEU 12 9.066 2.479 4.431 85 HD23 LEU 12 3HD2 LEU 12 10.527 3.201 5.107 86 H GLY 13 HN GLY 13 14.504 4.771 3.927 87 HA2 GLY 13 1HA GLY 13 16.558 5.406 3.124 88 HA3 GLY 13 2HA GLY 13 16.698 3.772 2.493 89 H ARG 14 HN ARG 14 16.759 3.524 0.355 90 HA ARG 14 HA ARG 14 16.054 5.846 -1.306 91 HB2 ARG 14 2HB ARG 14 18.433 4.866 -1.290 92 HB3 ARG 14 3HB ARG 14 17.748 3.521 -2.192 93 HG2 ARG 14 2HG ARG 14 16.906 5.935 -3.428 94 HG3 ARG 14 3HG ARG 14 18.648 6.019 -3.161 95 HD2 ARG 14 2HD ARG 14 18.498 3.528 -4.096 96 HD3 ARG 14 3HD ARG 14 17.068 4.195 -4.882 97 HE ARG 14 HE ARG 14 19.223 5.945 -5.280 98 HH11 ARG 14 1HH1 ARG 14 18.136 2.777 -6.230 99 HH12 ARG 14 2HH1 ARG 14 18.958 2.809 -7.754 100 HH21 ARG 14 1HH2 ARG 14 20.311 5.999 -7.285 101 HH22 ARG 14 2HH2 ARG 14 20.196 4.641 -8.353 102 H LEU 15 HN LEU 15 13.826 4.690 -0.720 103 HA LEU 15 HA LEU 15 13.233 2.696 -2.796 104 HB2 LEU 15 2HB LEU 15 12.444 2.981 -0.072 105 HB3 LEU 15 3HB LEU 15 11.009 3.096 -1.088 106 HG LEU 15 HG LEU 15 12.942 0.826 -1.405 107 HD11 LEU 15 1HD1 LEU 15 12.357 0.860 0.952 108 HD12 LEU 15 2HD1 LEU 15 11.554 -0.481 0.136 109 HD13 LEU 15 3HD1 LEU 15 10.645 0.975 0.543 110 HD21 LEU 15 1HD2 LEU 15 9.965 0.909 -1.821 111 HD22 LEU 15 2HD2 LEU 15 11.122 -0.279 -2.420 112 HD23 LEU 15 3HD2 LEU 15 11.116 1.357 -3.080 113 H SER 16 HN SER 16 12.669 5.943 -1.823 114 HA SER 16 HA SER 16 11.750 7.663 -3.045 115 HB2 SER 16 2HB SER 16 12.086 5.967 -5.031 116 HB3 SER 16 3HB SER 16 10.338 5.777 -4.895 117 HG SER 16 HG SER 16 10.539 8.282 -4.879 118 HA PRO 17 HA PRO 17 7.980 6.659 -0.580 119 HB2 PRO 17 2HB PRO 17 8.097 8.919 0.920 120 HB3 PRO 17 3HB PRO 17 8.985 7.448 1.331 121 HG2 PRO 17 2HG PRO 17 9.955 9.923 -0.046 122 HG3 PRO 17 3HG PRO 17 10.744 8.965 1.221 123 HD2 PRO 17 2HD PRO 17 11.409 8.751 -1.395 124 HD3 PRO 17 3HD PRO 17 11.496 7.379 -0.272 125 H LYS 18 HN LYS 18 8.901 8.923 -2.870 126 HA LYS 18 HA LYS 18 6.688 10.716 -2.728 127 HB2 LYS 18 2HB LYS 18 9.081 10.639 -4.113 128 HB3 LYS 18 3HB LYS 18 7.881 10.397 -5.376 129 HG2 LYS 18 2HG LYS 18 8.231 12.737 -3.541 130 HG3 LYS 18 3HG LYS 18 8.192 12.702 -5.305 131 HD2 LYS 18 2HD LYS 18 5.765 11.839 -4.982 132 HD3 LYS 18 3HD LYS 18 5.927 12.507 -3.356 133 HE2 LYS 18 2HE LYS 18 6.888 14.407 -5.267 134 HE3 LYS 18 3HE LYS 18 5.279 13.863 -5.743 135 HZ1 LYS 18 1HZ LYS 18 5.375 14.360 -2.957 136 HZ2 LYS 18 2HZ LYS 18 4.382 15.063 -4.130 137 HZ3 LYS 18 3HZ LYS 18 5.905 15.725 -3.804 138 H THR 19 HN THR 19 7.265 7.636 -4.258 139 HA THR 19 HA THR 19 4.519 7.706 -5.326 140 HB THR 19 HB THR 19 5.116 6.746 -7.306 141 HG1 THR 19 1HG THR 19 7.326 5.575 -7.319 142 HG21 THR 19 1HG2 THR 19 7.090 7.762 -8.198 143 HG22 THR 19 2HG2 THR 19 7.805 7.913 -6.592 144 HG23 THR 19 3HG2 THR 19 6.399 8.884 -7.028 145 H ASN 20 HN ASN 20 6.210 6.518 -2.898 146 HA ASN 20 HA ASN 20 5.089 3.804 -3.064 147 HB2 ASN 20 2HB ASN 20 7.450 4.955 -1.619 148 HB3 ASN 20 3HB ASN 20 6.678 3.496 -1.004 149 HD21 ASN 20 1HD2 ASN 20 9.337 4.053 -2.259 150 HD22 ASN 20 2HD2 ASN 20 9.467 2.897 -3.535 151 H THR 21 HN THR 21 3.562 6.198 -2.395 152 HA THR 21 HA THR 21 2.922 5.671 0.431 153 HB THR 21 HB THR 21 2.078 8.076 -1.189 154 HG1 THR 21 1HG THR 21 3.891 8.674 0.678 155 HG21 THR 21 1HG2 THR 21 0.643 8.054 0.605 156 HG22 THR 21 2HG2 THR 21 2.000 8.938 1.305 157 HG23 THR 21 3HG2 THR 21 1.793 7.222 1.651 158 H CYS 22 HN CYS 22 1.483 4.009 0.334 159 HA CYS 22 HA CYS 22 -0.351 3.269 -1.466 160 HB2 CYS 22 2HB CYS 22 -0.007 2.201 0.761 161 HB3 CYS 22 3HB CYS 22 -0.982 3.476 1.486 162 H ARG 23 HN ARG 23 -2.023 4.130 -2.501 163 HA ARG 23 HA ARG 23 -2.928 6.776 -1.848 164 HB2 ARG 23 2HB ARG 23 -4.497 5.272 -3.820 165 HB3 ARG 23 3HB ARG 23 -3.710 6.838 -3.963 166 HG2 ARG 23 2HG ARG 23 -1.544 5.274 -3.974 167 HG3 ARG 23 3HG ARG 23 -2.719 4.143 -4.650 168 HD2 ARG 23 2HD ARG 23 -2.663 5.179 -6.616 169 HD3 ARG 23 3HD ARG 23 -3.028 6.728 -5.859 170 HE ARG 23 HE ARG 23 -0.381 6.357 -5.356 171 HH11 ARG 23 1HH1 ARG 23 -2.339 6.359 -8.235 172 HH12 ARG 23 2HH1 ARG 23 -1.065 6.934 -9.258 173 HH21 ARG 23 1HH2 ARG 23 1.305 7.115 -6.694 174 HH22 ARG 23 2HH2 ARG 23 1.008 7.362 -8.381 175 H GLY 24 HN GLY 24 -3.684 3.822 -0.608 176 HA2 GLY 24 1HA GLY 24 -6.506 4.544 -0.135 177 HA3 GLY 24 2HA GLY 24 -5.860 2.913 -0.040 178 H CYS 25 HN CYS 25 -3.477 4.447 1.358 179 HA CYS 25 HA CYS 25 -4.757 4.599 4.007 180 HB2 CYS 25 2HB CYS 25 -2.129 3.284 3.295 181 HB3 CYS 25 3HB CYS 25 -2.657 3.601 4.944 182 H ASN 26 HN ASN 26 -2.237 5.709 1.846 183 HA ASN 26 HA ASN 26 -1.263 7.785 1.716 184 HB2 ASN 26 2HB ASN 26 -3.396 8.305 3.386 185 HB3 ASN 26 3HB ASN 26 -2.013 8.790 4.362 186 HD21 ASN 26 1HD2 ASN 26 -3.658 9.278 1.306 187 HD22 ASN 26 2HD2 ASN 26 -3.028 10.859 1.005 188 H HIS 27 HN HIS 27 -0.302 5.325 3.164 189 HA HIS 27 HA HIS 27 1.819 6.623 4.747 190 HB2 HIS 27 2HB HIS 27 0.716 3.827 5.095 191 HB3 HIS 27 3HB HIS 27 1.995 4.563 6.059 192 HD1 HIS 27 1HD HIS 27 0.873 7.191 6.880 193 HD2 HIS 27 2HD HIS 27 -1.467 3.763 6.676 194 HE1 HIS 27 1HE HIS 27 -1.088 7.625 8.392 195 H LEU 28 HN LEU 28 3.890 5.385 4.776 196 HA LEU 28 HA LEU 28 4.685 4.801 2.089 197 HB2 LEU 28 2HB LEU 28 6.148 4.658 4.717 198 HB3 LEU 28 3HB LEU 28 6.902 4.320 3.160 199 HG LEU 28 HG LEU 28 5.904 6.942 4.230 200 HD11 LEU 28 1HD1 LEU 28 8.117 7.672 3.916 201 HD12 LEU 28 2HD1 LEU 28 8.524 6.274 2.920 202 HD13 LEU 28 3HD1 LEU 28 8.250 6.075 4.650 203 HD21 LEU 28 1HD2 LEU 28 6.394 6.135 1.381 204 HD22 LEU 28 2HD2 LEU 28 6.573 7.806 1.919 205 HD23 LEU 28 3HD2 LEU 28 5.013 6.994 2.066 206 H VAL 29 HN VAL 29 5.346 2.861 1.209 207 HA VAL 29 HA VAL 29 5.189 0.436 2.814 208 HB VAL 29 HB VAL 29 3.787 -0.035 0.337 209 HG11 VAL 29 1HG1 VAL 29 3.921 -1.249 2.686 210 HG12 VAL 29 2HG1 VAL 29 2.486 -0.271 2.997 211 HG13 VAL 29 3HG1 VAL 29 2.508 -1.400 1.642 212 HG21 VAL 29 1HG2 VAL 29 2.437 1.895 2.220 213 HG22 VAL 29 2HG2 VAL 29 3.127 2.344 0.660 214 HG23 VAL 29 3HG2 VAL 29 1.774 1.216 0.733 215 H CYS 30 HN CYS 30 7.030 -0.574 2.388 216 HA CYS 30 HA CYS 30 8.815 -0.083 0.375 217 HB2 CYS 30 2HB CYS 30 9.802 -2.264 0.853 218 HB3 CYS 30 3HB CYS 30 9.305 -1.477 2.348 219 H ARG 31 HN ARG 31 9.513 -1.816 -1.310 220 HA ARG 31 HA ARG 31 7.340 -2.037 -3.184 221 HB2 ARG 31 2HB ARG 31 8.977 -2.652 -4.785 222 HB3 ARG 31 3HB ARG 31 9.725 -1.423 -3.773 223 HG2 ARG 31 2HG ARG 31 11.116 -2.959 -2.720 224 HG3 ARG 31 3HG ARG 31 10.116 -4.333 -3.198 225 HD2 ARG 31 2HD ARG 31 10.811 -4.121 -5.483 226 HD3 ARG 31 3HD ARG 31 11.654 -2.612 -5.135 227 HE ARG 31 HE ARG 31 13.411 -3.818 -4.258 228 HH11 ARG 31 1HH1 ARG 31 10.696 -5.918 -4.843 229 HH12 ARG 31 2HH1 ARG 31 11.601 -7.374 -4.593 230 HH21 ARG 31 1HH2 ARG 31 14.613 -5.729 -3.925 231 HH22 ARG 31 2HH2 ARG 31 13.829 -7.265 -4.070 232 H ASP 32 HN ASP 32 7.950 -3.820 -0.613 233 HA ASP 32 HA ASP 32 7.416 -6.395 -1.938 234 HB2 ASP 32 2HB ASP 32 9.444 -5.968 -0.290 235 HB3 ASP 32 3HB ASP 32 8.210 -6.243 0.937 236 H CYS 33 HN CYS 33 6.010 -3.932 -0.137 237 HA CYS 33 HA CYS 33 3.932 -5.712 0.939 238 HB2 CYS 33 2HB CYS 33 4.805 -2.924 1.678 239 HB3 CYS 33 3HB CYS 33 3.258 -3.579 2.206 240 H ARG 34 HN ARG 34 4.481 -4.178 -1.809 241 HA ARG 34 HA ARG 34 1.825 -2.971 -2.082 242 HB2 ARG 34 2HB ARG 34 3.602 -2.901 -4.414 243 HB3 ARG 34 3HB ARG 34 2.705 -1.601 -3.641 244 HG2 ARG 34 2HG ARG 34 4.432 -1.440 -1.915 245 HG3 ARG 34 3HG ARG 34 5.335 -2.733 -2.707 246 HD2 ARG 34 2HD ARG 34 4.593 -0.125 -4.025 247 HD3 ARG 34 3HD ARG 34 6.142 -0.432 -3.239 248 HE ARG 34 HE ARG 34 6.763 -1.761 -5.020 249 HH11 ARG 34 1HH1 ARG 34 3.396 -0.911 -5.270 250 HH12 ARG 34 2HH1 ARG 34 3.239 -1.482 -6.899 251 HH21 ARG 34 1HH2 ARG 34 6.569 -2.514 -7.165 252 HH22 ARG 34 2HH2 ARG 34 5.044 -2.395 -7.975 253 H ILE 35 HN ILE 35 0.318 -3.685 -3.553 254 HA ILE 35 HA ILE 35 0.917 -6.252 -4.874 255 HB ILE 35 HB ILE 35 -1.526 -5.380 -3.373 256 HG12 ILE 35 2HG1 ILE 35 -1.306 -7.808 -2.596 257 HG13 ILE 35 3HG1 ILE 35 0.253 -7.814 -3.411 258 HG21 ILE 35 1HG2 ILE 35 -1.434 -6.988 -5.831 259 HG22 ILE 35 2HG2 ILE 35 -2.342 -7.702 -4.498 260 HG23 ILE 35 3HG2 ILE 35 -2.773 -6.102 -5.101 261 HD11 ILE 35 1HD1 ILE 35 1.219 -6.456 -1.867 262 HD12 ILE 35 2HD1 ILE 35 -0.294 -5.640 -1.473 263 HD13 ILE 35 3HD1 ILE 35 0.023 -7.260 -0.850 264 H GLN 36 HN GLN 36 1.203 -5.720 -6.959 265 HA GLN 36 HA GLN 36 0.303 -3.616 -8.405 266 HB2 GLN 36 2HB GLN 36 0.915 -6.438 -9.135 267 HB3 GLN 36 3HB GLN 36 0.167 -5.415 -10.354 268 HG2 GLN 36 2HG GLN 36 2.507 -4.309 -8.924 269 HG3 GLN 36 3HG GLN 36 2.801 -5.628 -10.056 270 HE21 GLN 36 1HE2 GLN 36 0.300 -3.182 -10.323 271 HE22 GLN 36 2HE2 GLN 36 0.921 -2.432 -11.751 272 H GLU 37 HN GLU 37 -1.654 -2.781 -8.653 273 HA GLU 37 HA GLU 37 -3.996 -4.524 -8.530 274 HB2 GLU 37 2HB GLU 37 -3.664 -1.529 -8.393 275 HB3 GLU 37 3HB GLU 37 -5.237 -2.309 -8.487 276 HG2 GLU 37 2HG GLU 37 -3.527 -3.396 -6.392 277 HG3 GLU 37 3HG GLU 37 -3.895 -1.685 -6.189 278 H SER 38 HN SER 38 -5.550 -4.626 -10.143 279 HA SER 38 HA SER 38 -4.563 -4.234 -12.812 280 HB2 SER 38 2HB SER 38 -6.050 -6.160 -11.959 281 HB3 SER 38 3HB SER 38 -7.386 -5.018 -12.113 282 HG SER 38 HG SER 38 -5.622 -5.397 -14.266 283 H ASN 39 HN ASN 39 -4.336 -1.951 -12.903 284 HA ASN 39 HA ASN 39 -6.477 -0.599 -14.090 285 HB2 ASN 39 2HB ASN 39 -7.104 1.016 -12.404 286 HB3 ASN 39 3HB ASN 39 -7.356 -0.601 -11.755 287 HD21 ASN 39 1HD2 ASN 39 -6.619 -0.949 -9.795 288 HD22 ASN 39 2HD2 ASN 39 -5.369 -0.057 -9.003 289 H GLY 40 HN GLY 40 -3.451 -0.436 -12.332 290 HA2 GLY 40 1HA GLY 40 -1.660 0.542 -13.856 291 HA3 GLY 40 2HA GLY 40 -2.706 1.954 -13.893 292 H THR 41 HN THR 41 -3.101 0.776 -10.893 293 HA THR 41 HA THR 41 -0.875 2.378 -9.812 294 HB THR 41 HB THR 41 -3.160 3.385 -9.507 295 HG1 THR 41 1HG THR 41 -1.194 3.433 -7.949 296 HG21 THR 41 1HG2 THR 41 -3.677 0.739 -8.455 297 HG22 THR 41 2HG2 THR 41 -4.812 2.022 -8.876 298 HG23 THR 41 3HG2 THR 41 -4.074 1.988 -7.276 299 H TRP 42 HN TRP 42 -1.545 1.695 -7.085 300 HA TRP 42 HA TRP 42 -1.366 -1.168 -6.838 301 HB2 TRP 42 2HB TRP 42 0.842 -1.191 -5.758 302 HB3 TRP 42 3HB TRP 42 0.950 -0.636 -7.427 303 HD1 TRP 42 1HD TRP 42 1.943 1.739 -7.844 304 HE1 TRP 42 1HE TRP 42 2.923 3.563 -6.316 305 HE3 TRP 42 3HE TRP 42 0.524 -0.150 -3.310 306 HZ2 TRP 42 2HZ TRP 42 3.075 4.128 -3.555 307 HZ3 TRP 42 3HZ TRP 42 1.125 1.094 -1.274 308 HH2 TRP 42 2HH TRP 42 2.375 3.188 -1.396 309 H ARG 43 HN ARG 43 -1.454 -1.888 -4.634 310 HA ARG 43 HA ARG 43 -1.963 0.169 -2.620 311 HB2 ARG 43 2HB ARG 43 -3.919 -1.956 -3.476 312 HB3 ARG 43 3HB ARG 43 -4.005 -1.192 -1.895 313 HG2 ARG 43 2HG ARG 43 -3.800 0.774 -3.998 314 HG3 ARG 43 3HG ARG 43 -5.173 -0.304 -4.249 315 HD2 ARG 43 2HD ARG 43 -4.808 0.655 -1.492 316 HD3 ARG 43 3HD ARG 43 -5.223 1.897 -2.673 317 HE ARG 43 HE ARG 43 -6.926 -0.198 -1.690 318 HH11 ARG 43 1HH1 ARG 43 -6.318 1.995 -4.324 319 HH12 ARG 43 2HH1 ARG 43 -7.956 1.982 -4.885 320 HH21 ARG 43 1HH2 ARG 43 -9.086 -0.224 -2.418 321 HH22 ARG 43 2HH2 ARG 43 -9.532 0.720 -3.800 322 H CYS 44 HN CYS 44 -1.384 -0.407 -0.576 323 HA CYS 44 HA CYS 44 0.499 -2.342 -0.116 324 HB2 CYS 44 2HB CYS 44 0.230 -1.936 2.204 325 HB3 CYS 44 3HB CYS 44 -0.192 -0.423 1.407 326 H LYS 45 HN LYS 45 0.400 -4.310 1.207 327 HA LYS 45 HA LYS 45 -1.359 -6.209 0.143 328 HB2 LYS 45 2HB LYS 45 -0.114 -6.700 2.806 329 HB3 LYS 45 3HB LYS 45 -0.229 -7.763 1.410 330 HG2 LYS 45 2HG LYS 45 1.410 -6.058 0.322 331 HG3 LYS 45 3HG LYS 45 1.753 -5.615 1.996 332 HD2 LYS 45 2HD LYS 45 3.211 -7.307 2.005 333 HD3 LYS 45 3HD LYS 45 1.809 -8.381 2.023 334 HE2 LYS 45 2HE LYS 45 1.825 -8.379 -0.447 335 HE3 LYS 45 3HE LYS 45 3.280 -7.384 -0.415 336 HZ1 LYS 45 1HZ LYS 45 2.985 -10.213 0.003 337 HZ2 LYS 45 2HZ LYS 45 3.928 -9.462 1.190 338 HZ3 LYS 45 3HZ LYS 45 4.354 -9.324 -0.442 339 H VAL 46 HN VAL 46 -1.753 -3.992 2.726 340 HA VAL 46 HA VAL 46 -3.850 -5.485 4.048 341 HB VAL 46 HB VAL 46 -3.363 -2.571 4.531 342 HG11 VAL 46 1HG1 VAL 46 -4.253 -2.964 6.610 343 HG12 VAL 46 2HG1 VAL 46 -5.128 -4.158 5.651 344 HG13 VAL 46 3HG1 VAL 46 -3.747 -4.652 6.630 345 HG21 VAL 46 1HG2 VAL 46 -1.568 -3.195 6.130 346 HG22 VAL 46 2HG2 VAL 46 -1.591 -4.827 5.462 347 HG23 VAL 46 3HG2 VAL 46 -1.131 -3.464 4.443 348 H CYS 47 HN CYS 47 -3.577 -3.225 1.479 349 HA CYS 47 HA CYS 47 -6.408 -2.502 1.619 350 HB2 CYS 47 2HB CYS 47 -4.042 -1.449 0.114 351 HB3 CYS 47 3HB CYS 47 -5.663 -1.137 -0.499 352 H ALA 48 HN ALA 48 -4.088 -3.972 -0.635 353 HA ALA 48 HA ALA 48 -5.995 -4.619 -2.622 354 HB1 ALA 48 1HB ALA 48 -4.190 -6.247 -3.379 355 HB2 ALA 48 2HB ALA 48 -3.756 -4.538 -3.323 356 HB3 ALA 48 3HB ALA 48 -3.225 -5.624 -2.039 357 H LYS 49 HN LYS 49 -5.332 -5.977 0.424 358 HA LYS 49 HA LYS 49 -6.737 -8.462 -0.308 359 HB2 LYS 49 2HB LYS 49 -4.426 -8.750 0.574 360 HB3 LYS 49 3HB LYS 49 -4.934 -7.981 2.072 361 HG2 LYS 49 2HG LYS 49 -5.513 -9.974 2.836 362 HG3 LYS 49 3HG LYS 49 -6.776 -10.039 1.604 363 HD2 LYS 49 2HD LYS 49 -5.435 -11.254 0.127 364 HD3 LYS 49 3HD LYS 49 -3.948 -10.810 0.967 365 HE2 LYS 49 2HE LYS 49 -5.911 -12.285 2.586 366 HE3 LYS 49 3HE LYS 49 -5.223 -13.191 1.240 367 HZ1 LYS 49 1HZ LYS 49 -4.073 -12.762 3.701 368 HZ2 LYS 49 2HZ LYS 49 -3.209 -11.764 2.646 369 HZ3 LYS 49 3HZ LYS 49 -3.325 -13.422 2.335 370 H GLU 50 HN GLU 50 -6.337 -6.162 2.388 371 HA GLU 50 HA GLU 50 -7.794 -5.386 3.953 372 HB2 GLU 50 2HB GLU 50 -9.723 -6.181 1.780 373 HB3 GLU 50 3HB GLU 50 -10.269 -5.473 3.292 374 HG2 GLU 50 2HG GLU 50 -8.124 -3.953 2.060 375 HG3 GLU 50 3HG GLU 50 -9.540 -4.107 1.022 376 H ILE 51 HN ILE 51 -7.087 -7.088 5.364 377 HA ILE 51 HA ILE 51 -9.067 -9.240 5.718 378 HB ILE 51 HB ILE 51 -6.767 -10.018 5.237 379 HG12 ILE 51 2HG1 ILE 51 -7.156 -10.788 8.075 380 HG13 ILE 51 3HG1 ILE 51 -8.531 -11.034 7.004 381 HG21 ILE 51 1HG2 ILE 51 -5.777 -8.002 6.522 382 HG22 ILE 51 2HG2 ILE 51 -5.931 -9.042 7.938 383 HG23 ILE 51 3HG2 ILE 51 -4.934 -9.550 6.574 384 HD11 ILE 51 1HD1 ILE 51 -6.251 -12.024 5.674 385 HD12 ILE 51 2HD1 ILE 51 -6.209 -12.635 7.329 386 HD13 ILE 51 3HD1 ILE 51 -7.624 -12.923 6.317 387 H GLU 52 HN GLU 52 -8.371 -6.303 6.886 388 HA GLU 52 HA GLU 52 -9.180 -7.032 9.623 389 HB2 GLU 52 2HB GLU 52 -6.933 -5.439 8.711 390 HB3 GLU 52 3HB GLU 52 -7.974 -4.524 9.793 391 HG2 GLU 52 2HG GLU 52 -7.826 -6.615 11.308 392 HG3 GLU 52 3HG GLU 52 -6.415 -7.013 10.330 393 H LEU 53 HN LEU 53 -9.898 -5.326 6.799 394 HA LEU 53 HA LEU 53 -11.925 -3.726 8.219 395 HB2 LEU 53 2HB LEU 53 -10.645 -3.085 5.567 396 HB3 LEU 53 3HB LEU 53 -11.799 -2.087 6.449 397 HG LEU 53 HG LEU 53 -9.772 -1.034 6.842 398 HD11 LEU 53 1HD1 LEU 53 -11.098 -1.870 8.930 399 HD12 LEU 53 2HD1 LEU 53 -9.519 -1.110 9.125 400 HD13 LEU 53 3HD1 LEU 53 -9.666 -2.866 9.194 401 HD21 LEU 53 1HD2 LEU 53 -8.448 -3.672 7.439 402 HD22 LEU 53 2HD2 LEU 53 -7.680 -2.097 7.233 403 HD23 LEU 53 3HD2 LEU 53 -8.422 -2.905 5.852 Start of MODEL 8 1 H1 SER 1 HN SER 1 9.200 9.077 11.787 2 HA SER 1 HA SER 1 7.819 10.735 9.883 3 HB2 SER 1 2HB SER 1 7.550 12.172 11.801 4 HB3 SER 1 3HB SER 1 9.249 11.989 12.236 5 HG SER 1 HG SER 1 9.831 13.212 10.507 6 H ASP 2 HN ASP 2 9.923 8.650 10.034 7 HA ASP 2 HA ASP 2 12.148 10.151 8.816 8 HB2 ASP 2 2HB ASP 2 12.104 8.037 10.779 9 HB3 ASP 2 3HB ASP 2 13.011 7.528 9.358 10 H ARG 3 HN ARG 3 9.505 8.441 8.000 11 HA ARG 3 HA ARG 3 8.845 7.699 5.924 12 HB2 ARG 3 2HB ARG 3 11.699 7.449 5.030 13 HB3 ARG 3 3HB ARG 3 10.260 7.758 4.067 14 HG2 ARG 3 2HG ARG 3 10.636 9.872 5.966 15 HG3 ARG 3 3HG ARG 3 12.112 9.620 5.031 16 HD2 ARG 3 2HD ARG 3 11.172 10.338 3.112 17 HD3 ARG 3 3HD ARG 3 9.618 9.587 3.474 18 HE ARG 3 HE ARG 3 8.923 11.550 4.464 19 HH11 ARG 3 1HH1 ARG 3 12.335 11.700 3.784 20 HH12 ARG 3 2HH1 ARG 3 12.458 13.396 4.112 21 HH21 ARG 3 1HH2 ARG 3 9.073 13.784 4.899 22 HH22 ARG 3 2HH2 ARG 3 10.603 14.581 4.747 23 H THR 4 HN THR 4 8.639 5.951 7.743 24 HA THR 4 HA THR 4 10.150 3.557 6.925 25 HB THR 4 HB THR 4 8.669 3.181 9.374 26 HG1 THR 4 1HG THR 4 10.683 5.165 9.580 27 HG21 THR 4 1HG2 THR 4 10.479 1.745 8.845 28 HG22 THR 4 2HG2 THR 4 11.018 2.721 10.213 29 HG23 THR 4 3HG2 THR 4 11.574 3.102 8.584 30 H CYS 5 HN CYS 5 9.083 1.724 6.322 31 HA CYS 5 HA CYS 5 6.653 1.821 5.083 32 HB2 CYS 5 2HB CYS 5 8.311 -0.048 4.936 33 HB3 CYS 5 3HB CYS 5 7.737 -0.621 6.499 34 H ALA 6 HN ALA 6 4.529 1.286 5.595 35 HA ALA 6 HA ALA 6 3.846 1.653 8.411 36 HB1 ALA 6 1HB ALA 6 1.876 2.546 7.732 37 HB2 ALA 6 2HB ALA 6 2.801 2.832 6.257 38 HB3 ALA 6 3HB ALA 6 1.719 1.443 6.365 39 H ARG 7 HN ARG 7 4.713 -0.914 6.795 40 HA ARG 7 HA ARG 7 2.712 -2.645 8.080 41 HB2 ARG 7 2HB ARG 7 4.033 -3.327 5.457 42 HB3 ARG 7 3HB ARG 7 2.672 -4.131 6.225 43 HG2 ARG 7 2HG ARG 7 2.575 -1.300 5.215 44 HG3 ARG 7 3HG ARG 7 2.095 -2.703 4.258 45 HD2 ARG 7 2HD ARG 7 0.088 -2.671 5.201 46 HD3 ARG 7 3HD ARG 7 0.821 -2.879 6.791 47 HE ARG 7 HE ARG 7 0.569 -0.620 7.182 48 HH11 ARG 7 1HH1 ARG 7 -0.142 -1.346 3.852 49 HH12 ARG 7 2HH1 ARG 7 -0.821 0.214 3.521 50 HH21 ARG 7 1HH2 ARG 7 -0.323 1.436 6.759 51 HH22 ARG 7 2HH2 ARG 7 -0.922 1.796 5.175 52 H CYS 8 HN CYS 8 6.018 -2.183 6.995 53 HA CYS 8 HA CYS 8 6.853 -4.520 8.573 54 HB2 CYS 8 2HB CYS 8 8.469 -2.990 6.526 55 HB3 CYS 8 3HB CYS 8 8.902 -4.517 7.288 56 H GLN 9 HN GLN 9 7.137 -1.070 8.259 57 HA GLN 9 HA GLN 9 7.893 0.506 9.727 58 HB2 GLN 9 2HB GLN 9 7.513 -1.793 11.357 59 HB3 GLN 9 3HB GLN 9 9.039 -1.055 11.826 60 HG2 GLN 9 2HG GLN 9 6.724 0.752 11.487 61 HG3 GLN 9 3HG GLN 9 6.699 -0.341 12.870 62 HE21 GLN 9 1HE2 GLN 9 9.039 1.746 11.200 63 HE22 GLN 9 2HE2 GLN 9 9.688 2.454 12.636 64 H GLU 10 HN GLU 10 9.539 -0.740 7.684 65 HA GLU 10 HA GLU 10 12.215 -0.541 8.884 66 HB2 GLU 10 2HB GLU 10 11.091 -2.029 6.586 67 HB3 GLU 10 3HB GLU 10 12.707 -1.377 6.365 68 HG2 GLU 10 2HG GLU 10 12.047 -2.953 8.812 69 HG3 GLU 10 3HG GLU 10 12.404 -3.771 7.293 70 H SER 11 HN SER 11 13.880 0.593 7.636 71 HA SER 11 HA SER 11 13.047 3.202 6.936 72 HB2 SER 11 2HB SER 11 15.214 3.119 7.794 73 HB3 SER 11 3HB SER 11 15.657 1.723 6.811 74 HG SER 11 HG SER 11 16.276 3.028 5.290 75 H LEU 12 HN LEU 12 12.752 4.187 4.994 76 HA LEU 12 HA LEU 12 12.404 2.438 2.695 77 HB2 LEU 12 2HB LEU 12 11.616 5.262 3.321 78 HB3 LEU 12 3HB LEU 12 11.519 4.630 1.679 79 HG LEU 12 HG LEU 12 9.445 4.619 3.338 80 HD11 LEU 12 1HD1 LEU 12 8.474 3.527 1.656 81 HD12 LEU 12 2HD1 LEU 12 9.499 2.108 1.874 82 HD13 LEU 12 3HD1 LEU 12 10.073 3.471 0.913 83 HD21 LEU 12 1HD2 LEU 12 10.716 1.929 3.829 84 HD22 LEU 12 2HD2 LEU 12 9.156 2.493 4.429 85 HD23 LEU 12 3HD2 LEU 12 10.646 3.238 5.011 86 H GLY 13 HN GLY 13 15.080 3.388 3.777 87 HA2 GLY 13 1HA GLY 13 16.402 5.244 2.327 88 HA3 GLY 13 2HA GLY 13 17.122 3.693 2.732 89 H ARG 14 HN ARG 14 17.319 5.491 0.328 90 HA ARG 14 HA ARG 14 17.110 5.393 -1.974 91 HB2 ARG 14 2HB ARG 14 18.407 2.855 -1.040 92 HB3 ARG 14 3HB ARG 14 18.154 3.133 -2.757 93 HG2 ARG 14 2HG ARG 14 20.020 4.315 -2.823 94 HG3 ARG 14 3HG ARG 14 19.309 5.481 -1.704 95 HD2 ARG 14 2HD ARG 14 21.453 4.593 -0.888 96 HD3 ARG 14 3HD ARG 14 20.113 4.202 0.189 97 HE ARG 14 HE ARG 14 20.470 1.984 -0.234 98 HH11 ARG 14 1HH1 ARG 14 22.093 3.879 -2.662 99 HH12 ARG 14 2HH1 ARG 14 22.906 2.520 -3.367 100 HH21 ARG 14 1HH2 ARG 14 21.535 0.186 -1.153 101 HH22 ARG 14 2HH2 ARG 14 22.586 0.420 -2.508 102 H LEU 15 HN LEU 15 14.610 5.116 -1.217 103 HA LEU 15 HA LEU 15 13.591 2.957 -2.925 104 HB2 LEU 15 2HB LEU 15 13.433 2.562 -0.365 105 HB3 LEU 15 3HB LEU 15 12.134 3.750 -0.435 106 HG LEU 15 HG LEU 15 10.810 2.334 -1.825 107 HD11 LEU 15 1HD1 LEU 15 11.873 -0.056 -2.224 108 HD12 LEU 15 2HD1 LEU 15 13.370 0.876 -2.192 109 HD13 LEU 15 3HD1 LEU 15 12.111 1.271 -3.362 110 HD21 LEU 15 1HD2 LEU 15 11.858 1.417 0.718 111 HD22 LEU 15 2HD2 LEU 15 11.282 0.084 -0.284 112 HD23 LEU 15 3HD2 LEU 15 10.201 1.421 0.113 113 H SER 16 HN SER 16 13.092 6.099 -1.433 114 HA SER 16 HA SER 16 12.113 7.975 -2.339 115 HB2 SER 16 2HB SER 16 12.463 6.549 -4.589 116 HB3 SER 16 3HB SER 16 10.702 6.517 -4.510 117 HG SER 16 HG SER 16 10.941 8.893 -4.181 118 HA PRO 17 HA PRO 17 8.374 6.418 -0.132 119 HB2 PRO 17 2HB PRO 17 8.385 8.397 1.726 120 HB3 PRO 17 3HB PRO 17 9.335 6.916 1.894 121 HG2 PRO 17 2HG PRO 17 10.202 9.626 0.965 122 HG3 PRO 17 3HG PRO 17 11.026 8.504 2.063 123 HD2 PRO 17 2HD PRO 17 11.712 8.761 -0.544 124 HD3 PRO 17 3HD PRO 17 11.854 7.224 0.333 125 H LYS 18 HN LYS 18 9.131 8.911 -2.143 126 HA LYS 18 HA LYS 18 6.891 10.643 -1.687 127 HB2 LYS 18 2HB LYS 18 8.804 11.629 -2.698 128 HB3 LYS 18 3HB LYS 18 8.883 10.382 -3.935 129 HG2 LYS 18 2HG LYS 18 7.229 11.322 -5.190 130 HG3 LYS 18 3HG LYS 18 6.436 12.059 -3.795 131 HD2 LYS 18 2HD LYS 18 8.238 13.706 -3.640 132 HD3 LYS 18 3HD LYS 18 9.043 12.962 -5.023 133 HE2 LYS 18 2HE LYS 18 7.927 14.692 -6.043 134 HE3 LYS 18 3HE LYS 18 6.747 13.393 -6.203 135 HZ1 LYS 18 1HZ LYS 18 6.521 14.918 -3.764 136 HZ2 LYS 18 2HZ LYS 18 5.319 14.420 -4.844 137 HZ3 LYS 18 3HZ LYS 18 6.221 15.814 -5.167 138 H THR 19 HN THR 19 7.663 8.087 -4.020 139 HA THR 19 HA THR 19 4.861 8.143 -4.923 140 HB THR 19 HB THR 19 5.495 7.457 -7.010 141 HG1 THR 19 1HG THR 19 7.894 6.447 -6.953 142 HG21 THR 19 1HG2 THR 19 6.779 9.571 -6.276 143 HG22 THR 19 2HG2 THR 19 7.287 8.757 -7.756 144 HG23 THR 19 3HG2 THR 19 8.198 8.525 -6.264 145 H ASN 20 HN ASN 20 5.947 6.835 -2.481 146 HA ASN 20 HA ASN 20 5.173 4.064 -3.123 147 HB2 ASN 20 2HB ASN 20 7.239 5.120 -1.206 148 HB3 ASN 20 3HB ASN 20 6.531 3.521 -0.991 149 HD21 ASN 20 1HD2 ASN 20 9.278 4.417 -1.655 150 HD22 ASN 20 2HD2 ASN 20 9.692 3.566 -3.101 151 H THR 21 HN THR 21 3.742 6.605 -2.108 152 HA THR 21 HA THR 21 2.732 5.656 0.460 153 HB THR 21 HB THR 21 2.046 8.172 -1.072 154 HG1 THR 21 1HG THR 21 3.584 9.132 0.111 155 HG21 THR 21 1HG2 THR 21 1.090 8.921 1.082 156 HG22 THR 21 2HG2 THR 21 1.380 7.313 1.746 157 HG23 THR 21 3HG2 THR 21 0.242 7.527 0.416 158 H CYS 22 HN CYS 22 1.282 4.058 0.267 159 HA CYS 22 HA CYS 22 -0.306 3.363 -1.831 160 HB2 CYS 22 2HB CYS 22 -0.087 2.045 0.245 161 HB3 CYS 22 3HB CYS 22 -1.099 3.216 1.085 162 H ARG 23 HN ARG 23 -2.042 4.149 -2.847 163 HA ARG 23 HA ARG 23 -3.107 6.701 -2.031 164 HB2 ARG 23 2HB ARG 23 -4.495 5.354 -4.223 165 HB3 ARG 23 3HB ARG 23 -3.709 6.927 -4.185 166 HG2 ARG 23 2HG ARG 23 -1.515 5.537 -4.278 167 HG3 ARG 23 3HG ARG 23 -2.573 4.260 -4.883 168 HD2 ARG 23 2HD ARG 23 -2.331 5.169 -6.901 169 HD3 ARG 23 3HD ARG 23 -3.330 6.502 -6.321 170 HE ARG 23 HE ARG 23 -1.483 7.816 -6.474 171 HH11 ARG 23 1HH1 ARG 23 -0.441 4.536 -5.949 172 HH12 ARG 23 2HH1 ARG 23 1.246 4.921 -6.024 173 HH21 ARG 23 1HH2 ARG 23 0.735 8.336 -6.575 174 HH22 ARG 23 2HH2 ARG 23 1.914 7.084 -6.379 175 H GLY 24 HN GLY 24 -3.647 3.958 -0.652 176 HA2 GLY 24 1HA GLY 24 -6.592 4.157 -0.647 177 HA3 GLY 24 2HA GLY 24 -5.688 2.710 -0.226 178 H CYS 25 HN CYS 25 -3.796 3.740 1.502 179 HA CYS 25 HA CYS 25 -5.494 4.574 3.755 180 HB2 CYS 25 2HB CYS 25 -3.452 3.688 5.098 181 HB3 CYS 25 3HB CYS 25 -4.561 2.530 4.371 182 H ASN 26 HN ASN 26 -2.748 5.417 1.833 183 HA ASN 26 HA ASN 26 -1.712 7.463 1.647 184 HB2 ASN 26 2HB ASN 26 -3.894 8.200 3.046 185 HB3 ASN 26 3HB ASN 26 -2.655 8.493 4.264 186 HD21 ASN 26 1HD2 ASN 26 -3.753 9.313 1.045 187 HD22 ASN 26 2HD2 ASN 26 -2.911 10.817 0.934 188 H HIS 27 HN HIS 27 -0.794 5.058 3.084 189 HA HIS 27 HA HIS 27 1.203 6.322 4.846 190 HB2 HIS 27 2HB HIS 27 0.242 3.457 4.967 191 HB3 HIS 27 3HB HIS 27 1.341 4.250 6.092 192 HD1 HIS 27 1HD HIS 27 -0.237 6.836 6.623 193 HD2 HIS 27 2HD HIS 27 -1.931 3.042 6.552 194 HE1 HIS 27 1HE HIS 27 -2.341 7.013 7.989 195 H LEU 28 HN LEU 28 3.321 5.231 4.894 196 HA LEU 28 HA LEU 28 4.266 4.776 2.234 197 HB2 LEU 28 2HB LEU 28 5.588 4.657 4.933 198 HB3 LEU 28 3HB LEU 28 6.450 4.323 3.432 199 HG LEU 28 HG LEU 28 5.213 6.937 4.287 200 HD11 LEU 28 1HD1 LEU 28 7.395 6.330 5.287 201 HD12 LEU 28 2HD1 LEU 28 7.471 7.759 4.257 202 HD13 LEU 28 3HD1 LEU 28 8.071 6.211 3.662 203 HD21 LEU 28 1HD2 LEU 28 6.648 7.449 2.019 204 HD22 LEU 28 2HD2 LEU 28 4.893 7.291 2.100 205 HD23 LEU 28 3HD2 LEU 28 5.883 5.907 1.633 206 H VAL 29 HN VAL 29 5.140 2.902 1.352 207 HA VAL 29 HA VAL 29 5.025 0.419 2.849 208 HB VAL 29 HB VAL 29 3.740 -0.105 0.342 209 HG11 VAL 29 1HG1 VAL 29 2.300 -1.380 1.642 210 HG12 VAL 29 2HG1 VAL 29 3.781 -1.358 2.601 211 HG13 VAL 29 3HG1 VAL 29 2.436 -0.301 3.030 212 HG21 VAL 29 1HG2 VAL 29 2.349 1.930 2.080 213 HG22 VAL 29 2HG2 VAL 29 2.936 2.189 0.438 214 HG23 VAL 29 3HG2 VAL 29 1.613 1.061 0.733 215 H CYS 30 HN CYS 30 6.868 -0.580 2.415 216 HA CYS 30 HA CYS 30 8.729 0.103 0.522 217 HB2 CYS 30 2HB CYS 30 9.711 -2.142 0.865 218 HB3 CYS 30 3HB CYS 30 9.257 -1.371 2.382 219 H ARG 31 HN ARG 31 9.546 -1.640 -1.177 220 HA ARG 31 HA ARG 31 7.462 -1.755 -3.178 221 HB2 ARG 31 2HB ARG 31 9.223 -2.380 -4.716 222 HB3 ARG 31 3HB ARG 31 9.761 -1.022 -3.738 223 HG2 ARG 31 2HG ARG 31 11.592 -2.181 -3.287 224 HG3 ARG 31 3HG ARG 31 10.589 -3.278 -2.338 225 HD2 ARG 31 2HD ARG 31 11.437 -4.818 -3.757 226 HD3 ARG 31 3HD ARG 31 10.125 -4.257 -4.791 227 HE ARG 31 HE ARG 31 12.202 -2.611 -5.408 228 HH11 ARG 31 1HH1 ARG 31 11.769 -6.064 -5.324 229 HH12 ARG 31 2HH1 ARG 31 12.906 -6.369 -6.596 230 HH21 ARG 31 1HH2 ARG 31 13.701 -2.999 -7.083 231 HH22 ARG 31 2HH2 ARG 31 14.005 -4.625 -7.595 232 H ASP 32 HN ASP 32 7.649 -3.583 -0.717 233 HA ASP 32 HA ASP 32 7.282 -6.103 -2.199 234 HB2 ASP 32 2HB ASP 32 9.371 -5.947 -0.707 235 HB3 ASP 32 3HB ASP 32 8.251 -5.998 0.651 236 H CYS 33 HN CYS 33 5.946 -3.773 -0.169 237 HA CYS 33 HA CYS 33 3.925 -5.602 0.908 238 HB2 CYS 33 2HB CYS 33 4.740 -2.786 1.579 239 HB3 CYS 33 3HB CYS 33 3.196 -3.435 2.123 240 H ARG 34 HN ARG 34 4.384 -3.886 -1.826 241 HA ARG 34 HA ARG 34 1.659 -2.873 -2.066 242 HB2 ARG 34 2HB ARG 34 3.406 -2.756 -4.429 243 HB3 ARG 34 3HB ARG 34 2.436 -1.496 -3.680 244 HG2 ARG 34 2HG ARG 34 4.187 -1.331 -1.898 245 HG3 ARG 34 3HG ARG 34 5.177 -2.421 -2.869 246 HD2 ARG 34 2HD ARG 34 4.498 0.419 -3.292 247 HD3 ARG 34 3HD ARG 34 5.964 -0.470 -3.703 248 HE ARG 34 HE ARG 34 3.674 -0.031 -5.382 249 HH11 ARG 34 1HH1 ARG 34 6.412 -2.088 -4.757 250 HH12 ARG 34 2HH1 ARG 34 6.498 -2.687 -6.380 251 HH21 ARG 34 1HH2 ARG 34 3.776 -0.812 -7.523 252 HH22 ARG 34 2HH2 ARG 34 4.998 -1.961 -7.953 253 H ILE 35 HN ILE 35 0.115 -3.732 -3.376 254 HA ILE 35 HA ILE 35 0.749 -6.332 -4.598 255 HB ILE 35 HB ILE 35 -1.681 -5.260 -3.260 256 HG12 ILE 35 2HG1 ILE 35 -1.775 -7.719 -2.575 257 HG13 ILE 35 3HG1 ILE 35 -0.212 -7.893 -3.366 258 HG21 ILE 35 1HG2 ILE 35 -1.702 -6.968 -5.700 259 HG22 ILE 35 2HG2 ILE 35 -2.881 -7.279 -4.427 260 HG23 ILE 35 3HG2 ILE 35 -2.818 -5.697 -5.203 261 HD11 ILE 35 1HD1 ILE 35 0.880 -6.664 -1.774 262 HD12 ILE 35 2HD1 ILE 35 -0.570 -5.769 -1.313 263 HD13 ILE 35 3HD1 ILE 35 -0.369 -7.446 -0.805 264 H GLN 36 HN GLN 36 1.264 -5.948 -6.677 265 HA GLN 36 HA GLN 36 0.542 -3.933 -8.346 266 HB2 GLN 36 2HB GLN 36 1.555 -6.616 -8.668 267 HB3 GLN 36 3HB GLN 36 0.468 -6.209 -9.989 268 HG2 GLN 36 2HG GLN 36 3.006 -4.841 -9.171 269 HG3 GLN 36 3HG GLN 36 2.605 -5.589 -10.715 270 HE21 GLN 36 1HE2 GLN 36 -0.108 -4.370 -10.600 271 HE22 GLN 36 2HE2 GLN 36 0.123 -2.724 -11.067 272 H GLU 37 HN GLU 37 -1.462 -3.122 -8.499 273 HA GLU 37 HA GLU 37 -3.781 -4.846 -8.590 274 HB2 GLU 37 2HB GLU 37 -3.438 -1.850 -8.708 275 HB3 GLU 37 3HB GLU 37 -5.002 -2.638 -8.856 276 HG2 GLU 37 2HG GLU 37 -3.241 -3.193 -6.507 277 HG3 GLU 37 3HG GLU 37 -4.248 -1.746 -6.559 278 H SER 38 HN SER 38 -5.519 -3.990 -10.299 279 HA SER 38 HA SER 38 -4.207 -4.221 -12.924 280 HB2 SER 38 2HB SER 38 -6.937 -5.119 -11.987 281 HB3 SER 38 3HB SER 38 -6.455 -5.103 -13.683 282 HG SER 38 HG SER 38 -4.948 -6.647 -13.277 283 H ASN 39 HN ASN 39 -5.279 -1.883 -11.070 284 HA ASN 39 HA ASN 39 -6.946 -0.521 -13.049 285 HB2 ASN 39 2HB ASN 39 -7.578 -0.552 -10.609 286 HB3 ASN 39 3HB ASN 39 -6.165 0.452 -10.296 287 HD21 ASN 39 1HD2 ASN 39 -6.306 2.587 -10.581 288 HD22 ASN 39 2HD2 ASN 39 -7.684 3.409 -11.224 289 H GLY 40 HN GLY 40 -3.774 -0.948 -12.660 290 HA2 GLY 40 1HA GLY 40 -2.167 0.206 -13.973 291 HA3 GLY 40 2HA GLY 40 -3.163 1.650 -13.873 292 H THR 41 HN THR 41 -3.247 0.594 -10.842 293 HA THR 41 HA THR 41 -0.762 1.985 -10.080 294 HB THR 41 HB THR 41 -2.846 3.309 -9.630 295 HG1 THR 41 1HG THR 41 -1.105 3.809 -8.359 296 HG21 THR 41 1HG2 THR 41 -4.492 1.779 -9.024 297 HG22 THR 41 2HG2 THR 41 -4.042 2.499 -7.478 298 HG23 THR 41 3HG2 THR 41 -3.419 0.912 -7.927 299 H TRP 42 HN TRP 42 -1.138 1.556 -7.285 300 HA TRP 42 HA TRP 42 -1.147 -1.351 -6.985 301 HB2 TRP 42 2HB TRP 42 0.991 -1.303 -5.748 302 HB3 TRP 42 3HB TRP 42 1.187 -0.806 -7.426 303 HD1 TRP 42 1HD TRP 42 2.042 1.637 -7.884 304 HE1 TRP 42 1HE TRP 42 2.946 3.507 -6.365 305 HE3 TRP 42 3HE TRP 42 0.676 -0.274 -3.344 306 HZ2 TRP 42 2HZ TRP 42 3.065 4.095 -3.608 307 HZ3 TRP 42 3HZ TRP 42 1.223 1.006 -1.313 308 HH2 TRP 42 2HH TRP 42 2.392 3.144 -1.445 309 H ARG 43 HN ARG 43 -1.450 -2.072 -4.828 310 HA ARG 43 HA ARG 43 -2.101 -0.011 -2.848 311 HB2 ARG 43 2HB ARG 43 -3.941 -2.150 -3.882 312 HB3 ARG 43 3HB ARG 43 -4.132 -1.507 -2.256 313 HG2 ARG 43 2HG ARG 43 -3.881 0.639 -4.144 314 HG3 ARG 43 3HG ARG 43 -5.162 -0.470 -4.637 315 HD2 ARG 43 2HD ARG 43 -4.973 0.469 -1.802 316 HD3 ARG 43 3HD ARG 43 -5.717 1.493 -3.032 317 HE ARG 43 HE ARG 43 -6.769 -1.166 -3.032 318 HH11 ARG 43 1HH1 ARG 43 -6.958 1.946 -1.483 319 HH12 ARG 43 2HH1 ARG 43 -8.592 1.728 -0.950 320 HH21 ARG 43 1HH2 ARG 43 -8.922 -1.466 -2.336 321 HH22 ARG 43 2HH2 ARG 43 -9.707 -0.213 -1.435 322 H CYS 44 HN CYS 44 -1.455 -0.501 -0.834 323 HA CYS 44 HA CYS 44 0.364 -2.454 -0.256 324 HB2 CYS 44 2HB CYS 44 -0.017 -2.008 2.076 325 HB3 CYS 44 3HB CYS 44 -0.218 -0.498 1.194 326 H LYS 45 HN LYS 45 0.105 -4.276 1.363 327 HA LYS 45 HA LYS 45 -1.712 -6.190 0.286 328 HB2 LYS 45 2HB LYS 45 -0.386 -6.732 2.885 329 HB3 LYS 45 3HB LYS 45 -0.523 -7.751 1.458 330 HG2 LYS 45 2HG LYS 45 1.127 -6.090 0.383 331 HG3 LYS 45 3HG LYS 45 1.454 -5.582 2.042 332 HD2 LYS 45 2HD LYS 45 3.039 -7.214 1.813 333 HD3 LYS 45 3HD LYS 45 1.695 -8.187 2.417 334 HE2 LYS 45 2HE LYS 45 1.097 -8.636 0.008 335 HE3 LYS 45 3HE LYS 45 2.634 -7.891 -0.429 336 HZ1 LYS 45 1HZ LYS 45 3.416 -9.961 -0.224 337 HZ2 LYS 45 2HZ LYS 45 2.104 -10.494 0.699 338 HZ3 LYS 45 3HZ LYS 45 3.381 -9.669 1.441 339 H VAL 46 HN VAL 46 -2.151 -3.746 2.487 340 HA VAL 46 HA VAL 46 -4.154 -5.191 4.061 341 HB VAL 46 HB VAL 46 -3.293 -2.324 4.426 342 HG11 VAL 46 1HG1 VAL 46 -5.115 -4.164 5.797 343 HG12 VAL 46 2HG1 VAL 46 -4.003 -3.304 6.865 344 HG13 VAL 46 3HG1 VAL 46 -5.073 -2.402 5.790 345 HG21 VAL 46 1HG2 VAL 46 -1.715 -3.054 6.080 346 HG22 VAL 46 2HG2 VAL 46 -2.204 -4.737 5.873 347 HG23 VAL 46 3HG2 VAL 46 -1.364 -3.895 4.570 348 H CYS 47 HN CYS 47 -3.869 -3.054 1.411 349 HA CYS 47 HA CYS 47 -6.671 -2.210 1.635 350 HB2 CYS 47 2HB CYS 47 -4.329 -1.197 0.045 351 HB3 CYS 47 3HB CYS 47 -5.975 -0.771 -0.406 352 H ALA 48 HN ALA 48 -4.437 -3.991 -0.409 353 HA ALA 48 HA ALA 48 -6.292 -4.434 -2.534 354 HB1 ALA 48 1HB ALA 48 -3.796 -5.991 -1.870 355 HB2 ALA 48 2HB ALA 48 -4.649 -5.966 -3.414 356 HB3 ALA 48 3HB ALA 48 -3.840 -4.513 -2.831 357 H LYS 49 HN LYS 49 -5.451 -6.119 0.418 358 HA LYS 49 HA LYS 49 -6.735 -8.573 -0.206 359 HB2 LYS 49 2HB LYS 49 -5.426 -7.360 2.104 360 HB3 LYS 49 3HB LYS 49 -6.797 -8.364 2.554 361 HG2 LYS 49 2HG LYS 49 -5.819 -10.290 1.785 362 HG3 LYS 49 3HG LYS 49 -4.795 -9.436 0.628 363 HD2 LYS 49 2HD LYS 49 -3.189 -8.986 2.176 364 HD3 LYS 49 3HD LYS 49 -4.347 -8.866 3.502 365 HE2 LYS 49 2HE LYS 49 -4.340 -11.127 3.891 366 HE3 LYS 49 3HE LYS 49 -3.911 -11.521 2.228 367 HZ1 LYS 49 1HZ LYS 49 -1.769 -10.112 3.213 368 HZ2 LYS 49 2HZ LYS 49 -1.847 -11.782 2.957 369 HZ3 LYS 49 3HZ LYS 49 -2.215 -11.142 4.479 370 H GLU 50 HN GLU 50 -7.827 -5.528 1.096 371 HA GLU 50 HA GLU 50 -9.950 -4.704 1.324 372 HB2 GLU 50 2HB GLU 50 -10.325 -6.855 -0.403 373 HB3 GLU 50 3HB GLU 50 -11.482 -7.134 0.891 374 HG2 GLU 50 2HG GLU 50 -12.142 -4.672 0.535 375 HG3 GLU 50 3HG GLU 50 -11.299 -4.831 -1.005 376 H ILE 51 HN ILE 51 -10.847 -4.319 3.239 377 HA ILE 51 HA ILE 51 -10.285 -5.587 5.570 378 HB ILE 51 HB ILE 51 -12.697 -4.743 6.276 379 HG12 ILE 51 2HG1 ILE 51 -12.835 -4.319 3.554 380 HG13 ILE 51 3HG1 ILE 51 -13.859 -3.551 4.763 381 HG21 ILE 51 1HG2 ILE 51 -10.395 -2.950 5.517 382 HG22 ILE 51 2HG2 ILE 51 -11.732 -2.486 6.568 383 HG23 ILE 51 3HG2 ILE 51 -10.631 -3.773 7.059 384 HD11 ILE 51 1HD1 ILE 51 -12.356 -1.647 4.847 385 HD12 ILE 51 2HD1 ILE 51 -11.294 -2.422 3.671 386 HD13 ILE 51 3HD1 ILE 51 -12.922 -1.935 3.202 387 H GLU 52 HN GLU 52 -13.598 -5.878 4.328 388 HA GLU 52 HA GLU 52 -13.508 -8.768 4.493 389 HB2 GLU 52 2HB GLU 52 -14.033 -7.692 6.830 390 HB3 GLU 52 3HB GLU 52 -15.630 -7.443 6.138 391 HG2 GLU 52 2HG GLU 52 -14.964 -10.098 5.567 392 HG3 GLU 52 3HG GLU 52 -14.468 -9.823 7.236 393 H LEU 53 HN LEU 53 -15.426 -5.844 4.017 394 HA LEU 53 HA LEU 53 -16.730 -7.124 1.740 395 HB2 LEU 53 2HB LEU 53 -18.295 -7.473 3.532 396 HB3 LEU 53 3HB LEU 53 -18.186 -5.779 4.009 397 HG LEU 53 HG LEU 53 -19.053 -6.034 1.263 398 HD11 LEU 53 1HD1 LEU 53 -20.999 -7.253 1.440 399 HD12 LEU 53 2HD1 LEU 53 -21.044 -7.130 3.199 400 HD13 LEU 53 3HD1 LEU 53 -19.888 -8.211 2.421 401 HD21 LEU 53 1HD2 LEU 53 -19.490 -4.001 2.250 402 HD22 LEU 53 2HD2 LEU 53 -19.957 -4.724 3.789 403 HD23 LEU 53 3HD2 LEU 53 -21.053 -4.805 2.409 Start of MODEL 9 1 H1 SER 1 HN SER 1 8.505 8.941 11.769 2 HA SER 1 HA SER 1 8.005 11.253 10.011 3 HB2 SER 1 2HB SER 1 8.438 11.115 12.832 4 HB3 SER 1 3HB SER 1 9.804 11.958 12.102 5 HG SER 1 HG SER 1 7.975 13.312 12.663 6 H ASP 2 HN ASP 2 9.886 8.610 10.270 7 HA ASP 2 HA ASP 2 12.282 9.961 9.217 8 HB2 ASP 2 2HB ASP 2 11.960 7.303 10.610 9 HB3 ASP 2 3HB ASP 2 13.438 7.777 9.778 10 H ARG 3 HN ARG 3 9.594 8.333 8.240 11 HA ARG 3 HA ARG 3 9.008 7.654 6.121 12 HB2 ARG 3 2HB ARG 3 11.891 7.430 5.322 13 HB3 ARG 3 3HB ARG 3 10.488 7.767 4.318 14 HG2 ARG 3 2HG ARG 3 10.721 9.839 6.248 15 HG3 ARG 3 3HG ARG 3 12.296 9.594 5.491 16 HD2 ARG 3 2HD ARG 3 11.589 10.332 3.479 17 HD3 ARG 3 3HD ARG 3 9.994 9.602 3.656 18 HE ARG 3 HE ARG 3 9.218 11.569 4.558 19 HH11 ARG 3 1HH1 ARG 3 12.692 11.655 4.360 20 HH12 ARG 3 2HH1 ARG 3 12.802 13.342 4.741 21 HH21 ARG 3 1HH2 ARG 3 9.350 13.790 5.060 22 HH22 ARG 3 2HH2 ARG 3 10.900 14.555 5.139 23 H THR 4 HN THR 4 8.558 5.812 7.656 24 HA THR 4 HA THR 4 10.131 3.449 6.857 25 HB THR 4 HB THR 4 8.628 3.030 9.297 26 HG1 THR 4 1HG THR 4 10.170 4.421 10.524 27 HG21 THR 4 1HG2 THR 4 10.871 2.324 10.109 28 HG22 THR 4 2HG2 THR 4 11.559 2.892 8.588 29 HG23 THR 4 3HG2 THR 4 10.405 1.559 8.590 30 H CYS 5 HN CYS 5 9.020 1.582 6.326 31 HA CYS 5 HA CYS 5 6.640 1.742 4.995 32 HB2 CYS 5 2HB CYS 5 8.282 -0.195 5.034 33 HB3 CYS 5 3HB CYS 5 7.484 -0.728 6.510 34 H ALA 6 HN ALA 6 4.484 1.101 5.454 35 HA ALA 6 HA ALA 6 3.725 1.601 8.245 36 HB1 ALA 6 1HB ALA 6 2.611 3.133 6.892 37 HB2 ALA 6 2HB ALA 6 2.284 1.936 5.639 38 HB3 ALA 6 3HB ALA 6 1.405 1.875 7.166 39 H ARG 7 HN ARG 7 4.458 -0.993 6.530 40 HA ARG 7 HA ARG 7 2.316 -2.626 7.725 41 HB2 ARG 7 2HB ARG 7 3.827 -3.422 5.246 42 HB3 ARG 7 3HB ARG 7 2.327 -4.093 5.874 43 HG2 ARG 7 2HG ARG 7 2.734 -1.420 4.559 44 HG3 ARG 7 3HG ARG 7 1.791 -2.789 3.965 45 HD2 ARG 7 2HD ARG 7 1.129 -0.771 6.028 46 HD3 ARG 7 3HD ARG 7 0.095 -1.543 4.827 47 HE ARG 7 HE ARG 7 0.599 -3.579 6.474 48 HH11 ARG 7 1HH1 ARG 7 -0.350 -0.293 7.121 49 HH12 ARG 7 2HH1 ARG 7 -1.205 -0.688 8.576 50 HH21 ARG 7 1HH2 ARG 7 -0.524 -4.113 8.387 51 HH22 ARG 7 2HH2 ARG 7 -1.302 -2.861 9.294 52 H CYS 8 HN CYS 8 5.721 -2.391 6.855 53 HA CYS 8 HA CYS 8 6.287 -4.603 8.720 54 HB2 CYS 8 2HB CYS 8 8.330 -5.033 7.432 55 HB3 CYS 8 3HB CYS 8 6.901 -5.157 6.411 56 H GLN 9 HN GLN 9 6.621 -1.298 8.128 57 HA GLN 9 HA GLN 9 7.731 0.387 9.179 58 HB2 GLN 9 2HB GLN 9 7.674 -1.785 11.215 59 HB3 GLN 9 3HB GLN 9 8.723 -0.407 11.520 60 HG2 GLN 9 2HG GLN 9 6.634 -0.005 12.585 61 HG3 GLN 9 3HG GLN 9 6.764 1.083 11.205 62 HE21 GLN 9 1HE2 GLN 9 5.190 1.086 9.740 63 HE22 GLN 9 2HE2 GLN 9 3.888 -0.048 9.671 64 H GLU 10 HN GLU 10 9.217 -0.424 7.233 65 HA GLU 10 HA GLU 10 11.905 -0.883 8.351 66 HB2 GLU 10 2HB GLU 10 10.555 -1.920 5.920 67 HB3 GLU 10 3HB GLU 10 12.261 -1.521 5.770 68 HG2 GLU 10 2HG GLU 10 11.217 -3.295 7.951 69 HG3 GLU 10 3HG GLU 10 11.682 -3.913 6.367 70 H SER 11 HN SER 11 13.674 0.215 7.325 71 HA SER 11 HA SER 11 13.217 2.944 6.903 72 HB2 SER 11 2HB SER 11 15.375 2.179 7.668 73 HB3 SER 11 3HB SER 11 15.609 1.228 6.202 74 HG SER 11 HG SER 11 16.695 3.307 6.234 75 H LEU 12 HN LEU 12 12.825 4.156 5.143 76 HA LEU 12 HA LEU 12 12.335 2.757 2.630 77 HB2 LEU 12 2HB LEU 12 11.527 5.399 3.766 78 HB3 LEU 12 3HB LEU 12 11.457 5.135 2.024 79 HG LEU 12 HG LEU 12 9.348 4.764 3.545 80 HD11 LEU 12 1HD1 LEU 12 9.183 4.441 1.226 81 HD12 LEU 12 2HD1 LEU 12 8.652 2.920 1.941 82 HD13 LEU 12 3HD1 LEU 12 10.272 3.053 1.255 83 HD21 LEU 12 1HD2 LEU 12 10.705 3.113 4.959 84 HD22 LEU 12 2HD2 LEU 12 10.494 1.991 3.616 85 HD23 LEU 12 3HD2 LEU 12 9.084 2.630 4.461 86 H GLY 13 HN GLY 13 15.029 3.717 3.831 87 HA2 GLY 13 1HA GLY 13 16.191 5.755 2.431 88 HA3 GLY 13 2HA GLY 13 17.045 4.282 2.870 89 H ARG 14 HN ARG 14 16.890 6.157 0.412 90 HA ARG 14 HA ARG 14 16.701 5.979 -1.886 91 HB2 ARG 14 2HB ARG 14 18.333 4.391 -2.765 92 HB3 ARG 14 3HB ARG 14 18.966 5.205 -1.340 93 HG2 ARG 14 2HG ARG 14 17.600 2.596 -0.962 94 HG3 ARG 14 3HG ARG 14 19.211 2.602 -1.684 95 HD2 ARG 14 2HD ARG 14 20.164 2.970 0.291 96 HD3 ARG 14 3HD ARG 14 19.116 4.354 0.597 97 HE ARG 14 HE ARG 14 17.496 2.285 1.144 98 HH11 ARG 14 1HH1 ARG 14 20.747 3.032 2.140 99 HH12 ARG 14 2HH1 ARG 14 20.604 2.229 3.668 100 HH21 ARG 14 1HH2 ARG 14 17.294 1.224 3.152 101 HH22 ARG 14 2HH2 ARG 14 18.639 1.200 4.243 102 H LEU 15 HN LEU 15 14.344 5.069 -0.925 103 HA LEU 15 HA LEU 15 13.807 2.719 -2.617 104 HB2 LEU 15 2HB LEU 15 13.656 2.585 0.030 105 HB3 LEU 15 3HB LEU 15 12.066 3.280 -0.276 106 HG LEU 15 HG LEU 15 12.087 1.195 -2.027 107 HD11 LEU 15 1HD1 LEU 15 14.259 0.696 -0.335 108 HD12 LEU 15 2HD1 LEU 15 13.495 -0.423 -1.464 109 HD13 LEU 15 3HD1 LEU 15 12.963 -0.365 0.217 110 HD21 LEU 15 1HD2 LEU 15 10.238 1.699 -0.610 111 HD22 LEU 15 2HD2 LEU 15 11.166 1.312 0.839 112 HD23 LEU 15 3HD2 LEU 15 10.713 0.032 -0.288 113 H SER 16 HN SER 16 13.167 5.953 -1.967 114 HA SER 16 HA SER 16 11.860 7.439 -3.133 115 HB2 SER 16 2HB SER 16 11.875 5.470 -4.898 116 HB3 SER 16 3HB SER 16 10.206 5.273 -4.365 117 HG SER 16 HG SER 16 11.398 7.372 -5.761 118 HA PRO 17 HA PRO 17 8.793 6.553 0.223 119 HB2 PRO 17 2HB PRO 17 9.144 8.933 1.478 120 HB3 PRO 17 3HB PRO 17 10.157 7.521 1.798 121 HG2 PRO 17 2HG PRO 17 10.707 9.893 0.055 122 HG3 PRO 17 3HG PRO 17 11.789 9.061 1.188 123 HD2 PRO 17 2HD PRO 17 11.877 8.641 -1.487 124 HD3 PRO 17 3HD PRO 17 12.260 7.371 -0.308 125 H LYS 18 HN LYS 18 9.079 8.585 -2.405 126 HA LYS 18 HA LYS 18 6.723 10.190 -1.864 127 HB2 LYS 18 2HB LYS 18 8.851 10.885 -3.200 128 HB3 LYS 18 3HB LYS 18 8.087 10.026 -4.532 129 HG2 LYS 18 2HG LYS 18 6.423 11.569 -4.760 130 HG3 LYS 18 3HG LYS 18 6.479 12.044 -3.062 131 HD2 LYS 18 2HD LYS 18 8.797 13.006 -3.622 132 HD3 LYS 18 3HD LYS 18 8.294 12.862 -5.307 133 HE2 LYS 18 2HE LYS 18 7.017 14.499 -3.128 134 HE3 LYS 18 3HE LYS 18 7.786 15.077 -4.604 135 HZ1 LYS 18 1HZ LYS 18 5.506 15.195 -5.017 136 HZ2 LYS 18 2HZ LYS 18 5.191 13.690 -4.313 137 HZ3 LYS 18 3HZ LYS 18 5.987 13.776 -5.803 138 H THR 19 HN THR 19 7.686 7.840 -4.370 139 HA THR 19 HA THR 19 4.961 7.515 -5.247 140 HB THR 19 HB THR 19 5.774 6.192 -6.977 141 HG1 THR 19 1HG THR 19 7.677 4.983 -6.827 142 HG21 THR 19 1HG2 THR 19 6.849 8.561 -6.742 143 HG22 THR 19 2HG2 THR 19 7.456 7.441 -7.961 144 HG23 THR 19 3HG2 THR 19 8.330 7.652 -6.444 145 H ASN 20 HN ASN 20 6.641 6.359 -2.651 146 HA ASN 20 HA ASN 20 5.388 3.718 -2.658 147 HB2 ASN 20 2HB ASN 20 7.528 5.008 -0.987 148 HB3 ASN 20 3HB ASN 20 6.711 3.550 -0.429 149 HD21 ASN 20 1HD2 ASN 20 9.490 3.903 -1.104 150 HD22 ASN 20 2HD2 ASN 20 9.833 2.795 -2.385 151 H THR 21 HN THR 21 3.594 5.830 -2.505 152 HA THR 21 HA THR 21 2.685 5.675 0.296 153 HB THR 21 HB THR 21 2.069 7.884 -1.674 154 HG1 THR 21 1HG THR 21 4.203 8.092 -1.048 155 HG21 THR 21 1HG2 THR 21 0.667 7.111 0.572 156 HG22 THR 21 2HG2 THR 21 0.620 8.708 -0.175 157 HG23 THR 21 3HG2 THR 21 1.712 8.397 1.174 158 H CYS 22 HN CYS 22 1.184 4.112 0.341 159 HA CYS 22 HA CYS 22 -0.357 3.088 -1.651 160 HB2 CYS 22 2HB CYS 22 -0.259 2.191 0.654 161 HB3 CYS 22 3HB CYS 22 -1.273 3.522 1.200 162 H ARG 23 HN ARG 23 -1.999 3.739 -2.885 163 HA ARG 23 HA ARG 23 -3.015 6.423 -2.578 164 HB2 ARG 23 2HB ARG 23 -4.277 4.697 -4.597 165 HB3 ARG 23 3HB ARG 23 -3.560 6.294 -4.767 166 HG2 ARG 23 2HG ARG 23 -1.330 4.871 -4.410 167 HG3 ARG 23 3HG ARG 23 -2.355 3.623 -5.124 168 HD2 ARG 23 2HD ARG 23 -0.969 4.998 -6.736 169 HD3 ARG 23 3HD ARG 23 -2.692 4.881 -7.088 170 HE ARG 23 HE ARG 23 -1.915 7.198 -5.546 171 HH11 ARG 23 1HH1 ARG 23 -2.468 5.869 -8.715 172 HH12 ARG 23 2HH1 ARG 23 -2.726 7.411 -9.461 173 HH21 ARG 23 1HH2 ARG 23 -2.253 9.235 -6.516 174 HH22 ARG 23 2HH2 ARG 23 -2.603 9.326 -8.209 175 H GLY 24 HN GLY 24 -3.730 3.925 -0.829 176 HA2 GLY 24 1HA GLY 24 -6.627 4.493 -0.821 177 HA3 GLY 24 2HA GLY 24 -6.015 2.857 -0.630 178 H CYS 25 HN CYS 25 -3.736 4.399 0.923 179 HA CYS 25 HA CYS 25 -5.229 4.625 3.451 180 HB2 CYS 25 2HB CYS 25 -2.557 3.292 2.982 181 HB3 CYS 25 3HB CYS 25 -3.205 3.657 4.578 182 H ASN 26 HN ASN 26 -2.552 5.694 1.470 183 HA ASN 26 HA ASN 26 -1.592 7.783 1.369 184 HB2 ASN 26 2HB ASN 26 -2.792 8.544 4.014 185 HB3 ASN 26 3HB ASN 26 -2.370 9.576 2.651 186 HD21 ASN 26 1HD2 ASN 26 -3.594 7.874 0.674 187 HD22 ASN 26 2HD2 ASN 26 -5.303 8.062 0.848 188 H HIS 27 HN HIS 27 -0.846 5.321 3.083 189 HA HIS 27 HA HIS 27 1.159 6.627 4.792 190 HB2 HIS 27 2HB HIS 27 -0.132 3.912 4.880 191 HB3 HIS 27 3HB HIS 27 1.383 4.224 5.722 192 HD1 HIS 27 1HD HIS 27 0.959 6.836 7.065 193 HD2 HIS 27 2HD HIS 27 -2.070 4.010 6.751 194 HE1 HIS 27 1HE HIS 27 -0.661 7.380 8.909 195 H LEU 28 HN LEU 28 3.237 5.271 4.993 196 HA LEU 28 HA LEU 28 4.308 4.980 2.322 197 HB2 LEU 28 2HB LEU 28 5.459 5.013 5.080 198 HB3 LEU 28 3HB LEU 28 6.422 4.414 3.731 199 HG LEU 28 HG LEU 28 5.271 7.190 4.010 200 HD11 LEU 28 1HD1 LEU 28 7.951 5.987 4.503 201 HD12 LEU 28 2HD1 LEU 28 7.082 7.221 5.414 202 HD13 LEU 28 3HD1 LEU 28 7.850 7.634 3.882 203 HD21 LEU 28 1HD2 LEU 28 7.019 7.388 1.998 204 HD22 LEU 28 2HD2 LEU 28 5.307 7.041 1.749 205 HD23 LEU 28 3HD2 LEU 28 6.485 5.726 1.743 206 H VAL 29 HN VAL 29 5.180 3.125 1.429 207 HA VAL 29 HA VAL 29 5.112 0.627 2.895 208 HB VAL 29 HB VAL 29 3.780 0.056 0.443 209 HG11 VAL 29 1HG1 VAL 29 2.319 -0.047 3.016 210 HG12 VAL 29 2HG1 VAL 29 2.516 -1.282 1.771 211 HG13 VAL 29 3HG1 VAL 29 3.824 -0.959 2.910 212 HG21 VAL 29 1HG2 VAL 29 1.716 1.271 0.671 213 HG22 VAL 29 2HG2 VAL 29 2.302 2.077 2.126 214 HG23 VAL 29 3HG2 VAL 29 3.044 2.427 0.565 215 H CYS 30 HN CYS 30 7.045 -0.187 2.449 216 HA CYS 30 HA CYS 30 8.766 0.507 0.433 217 HB2 CYS 30 2HB CYS 30 9.991 -1.522 0.907 218 HB3 CYS 30 3HB CYS 30 9.346 -0.883 2.415 219 H ARG 31 HN ARG 31 9.620 -1.239 -1.227 220 HA ARG 31 HA ARG 31 7.452 -1.622 -3.101 221 HB2 ARG 31 2HB ARG 31 9.144 -2.101 -4.722 222 HB3 ARG 31 3HB ARG 31 9.705 -0.739 -3.761 223 HG2 ARG 31 2HG ARG 31 11.315 -2.009 -2.671 224 HG3 ARG 31 3HG ARG 31 10.526 -3.533 -3.078 225 HD2 ARG 31 2HD ARG 31 11.395 -3.579 -5.190 226 HD3 ARG 31 3HD ARG 31 11.469 -1.821 -5.312 227 HE ARG 31 HE ARG 31 13.598 -1.894 -4.478 228 HH11 ARG 31 1HH1 ARG 31 12.018 -4.925 -3.820 229 HH12 ARG 31 2HH1 ARG 31 13.453 -5.694 -3.226 230 HH21 ARG 31 1HH2 ARG 31 15.493 -2.893 -3.699 231 HH22 ARG 31 2HH2 ARG 31 15.429 -4.537 -3.157 232 H ASP 32 HN ASP 32 7.786 -3.290 -0.598 233 HA ASP 32 HA ASP 32 7.669 -5.915 -1.929 234 HB2 ASP 32 2HB ASP 32 9.715 -5.770 -0.598 235 HB3 ASP 32 3HB ASP 32 8.778 -5.307 0.820 236 H CYS 33 HN CYS 33 6.092 -3.599 -0.068 237 HA CYS 33 HA CYS 33 4.154 -5.567 0.950 238 HB2 CYS 33 2HB CYS 33 4.844 -2.774 1.856 239 HB3 CYS 33 3HB CYS 33 3.383 -3.600 2.386 240 H ARG 34 HN ARG 34 4.482 -4.138 -1.770 241 HA ARG 34 HA ARG 34 1.798 -2.943 -1.909 242 HB2 ARG 34 2HB ARG 34 3.411 -2.660 -4.309 243 HB3 ARG 34 3HB ARG 34 2.616 -1.426 -3.340 244 HG2 ARG 34 2HG ARG 34 4.491 -1.344 -1.826 245 HG3 ARG 34 3HG ARG 34 5.275 -2.673 -2.682 246 HD2 ARG 34 2HD ARG 34 4.512 -0.158 -4.119 247 HD3 ARG 34 3HD ARG 34 6.007 -0.244 -3.187 248 HE ARG 34 HE ARG 34 5.657 -2.393 -5.074 249 HH11 ARG 34 1HH1 ARG 34 6.871 0.829 -4.562 250 HH12 ARG 34 2HH1 ARG 34 8.003 0.752 -5.871 251 HH21 ARG 34 1HH2 ARG 34 7.144 -2.508 -6.801 252 HH22 ARG 34 2HH2 ARG 34 8.157 -1.147 -7.144 253 H ILE 35 HN ILE 35 0.288 -3.687 -3.356 254 HA ILE 35 HA ILE 35 0.966 -6.197 -4.746 255 HB ILE 35 HB ILE 35 -1.482 -5.390 -3.233 256 HG12 ILE 35 2HG1 ILE 35 -1.289 -7.865 -2.603 257 HG13 ILE 35 3HG1 ILE 35 0.268 -7.839 -3.423 258 HG21 ILE 35 1HG2 ILE 35 -1.404 -6.973 -5.737 259 HG22 ILE 35 2HG2 ILE 35 -2.430 -7.564 -4.432 260 HG23 ILE 35 3HG2 ILE 35 -2.678 -5.945 -5.085 261 HD11 ILE 35 1HD1 ILE 35 1.267 -6.700 -1.764 262 HD12 ILE 35 2HD1 ILE 35 -0.164 -5.724 -1.425 263 HD13 ILE 35 3HD1 ILE 35 -0.052 -7.371 -0.804 264 H GLN 36 HN GLN 36 1.374 -5.485 -6.783 265 HA GLN 36 HA GLN 36 0.417 -3.422 -8.214 266 HB2 GLN 36 2HB GLN 36 0.454 -6.064 -9.607 267 HB3 GLN 36 3HB GLN 36 1.086 -4.512 -10.140 268 HG2 GLN 36 2HG GLN 36 3.026 -5.624 -9.714 269 HG3 GLN 36 3HG GLN 36 2.752 -4.855 -8.151 270 HE21 GLN 36 1HE2 GLN 36 0.479 -6.765 -7.694 271 HE22 GLN 36 2HE2 GLN 36 1.243 -8.231 -7.192 272 H GLU 37 HN GLU 37 -1.579 -2.658 -8.404 273 HA GLU 37 HA GLU 37 -3.846 -4.491 -8.444 274 HB2 GLU 37 2HB GLU 37 -3.674 -1.483 -8.243 275 HB3 GLU 37 3HB GLU 37 -5.190 -2.368 -8.322 276 HG2 GLU 37 2HG GLU 37 -3.528 -3.482 -6.276 277 HG3 GLU 37 3HG GLU 37 -3.673 -1.740 -6.051 278 H SER 38 HN SER 38 -5.507 -4.340 -10.049 279 HA SER 38 HA SER 38 -4.440 -4.056 -12.700 280 HB2 SER 38 2HB SER 38 -7.069 -4.946 -11.560 281 HB3 SER 38 3HB SER 38 -6.926 -4.606 -13.284 282 HG SER 38 HG SER 38 -6.068 -6.504 -13.459 283 H ASN 39 HN ASN 39 -5.772 -1.912 -10.528 284 HA ASN 39 HA ASN 39 -7.299 -0.297 -12.334 285 HB2 ASN 39 2HB ASN 39 -6.134 0.469 -9.649 286 HB3 ASN 39 3HB ASN 39 -7.435 1.292 -10.505 287 HD21 ASN 39 1HD2 ASN 39 -7.724 0.409 -7.915 288 HD22 ASN 39 2HD2 ASN 39 -8.867 -0.885 -7.878 289 H GLY 40 HN GLY 40 -4.104 -0.902 -12.257 290 HA2 GLY 40 1HA GLY 40 -2.647 0.221 -13.803 291 HA3 GLY 40 2HA GLY 40 -3.485 1.723 -13.439 292 H THR 41 HN THR 41 -3.375 0.870 -10.503 293 HA THR 41 HA THR 41 -0.579 1.690 -10.049 294 HB THR 41 HB THR 41 -2.361 3.383 -9.437 295 HG1 THR 41 1HG THR 41 -0.204 3.243 -8.465 296 HG21 THR 41 1HG2 THR 41 -3.749 3.053 -7.567 297 HG22 THR 41 2HG2 THR 41 -2.869 1.608 -7.063 298 HG23 THR 41 3HG2 THR 41 -3.894 1.563 -8.498 299 H TRP 42 HN TRP 42 -0.760 1.388 -7.206 300 HA TRP 42 HA TRP 42 -1.176 -1.500 -6.880 301 HB2 TRP 42 2HB TRP 42 0.956 -1.720 -5.700 302 HB3 TRP 42 3HB TRP 42 1.213 -1.143 -7.344 303 HD1 TRP 42 1HD TRP 42 2.675 0.956 -7.587 304 HE1 TRP 42 1HE TRP 42 3.608 2.735 -5.979 305 HE3 TRP 42 3HE TRP 42 0.226 -0.440 -3.323 306 HZ2 TRP 42 2HZ TRP 42 3.341 3.452 -3.262 307 HZ3 TRP 42 3HZ TRP 42 0.621 0.844 -1.261 308 HH2 TRP 42 2HH TRP 42 2.147 2.749 -1.234 309 H ARG 43 HN ARG 43 -1.457 -2.190 -4.686 310 HA ARG 43 HA ARG 43 -2.000 -0.040 -2.761 311 HB2 ARG 43 2HB ARG 43 -3.876 -2.239 -3.606 312 HB3 ARG 43 3HB ARG 43 -4.043 -1.423 -2.058 313 HG2 ARG 43 2HG ARG 43 -3.797 0.576 -4.040 314 HG3 ARG 43 3HG ARG 43 -4.970 -0.608 -4.618 315 HD2 ARG 43 2HD ARG 43 -5.112 0.420 -1.812 316 HD3 ARG 43 3HD ARG 43 -5.771 1.371 -3.142 317 HE ARG 43 HE ARG 43 -6.673 -1.369 -3.054 318 HH11 ARG 43 1HH1 ARG 43 -7.253 1.906 -2.028 319 HH12 ARG 43 2HH1 ARG 43 -8.945 1.657 -1.748 320 HH21 ARG 43 1HH2 ARG 43 -8.899 -1.710 -2.689 321 HH22 ARG 43 2HH2 ARG 43 -9.880 -0.401 -2.124 322 H CYS 44 HN CYS 44 -1.414 -0.477 -0.701 323 HA CYS 44 HA CYS 44 0.462 -2.329 -0.045 324 HB2 CYS 44 2HB CYS 44 0.008 -1.885 2.258 325 HB3 CYS 44 3HB CYS 44 -0.336 -0.402 1.374 326 H LYS 45 HN LYS 45 0.375 -4.252 1.336 327 HA LYS 45 HA LYS 45 -1.308 -6.238 0.263 328 HB2 LYS 45 2HB LYS 45 -0.058 -6.686 2.923 329 HB3 LYS 45 3HB LYS 45 -0.094 -7.730 1.509 330 HG2 LYS 45 2HG LYS 45 1.465 -5.860 0.507 331 HG3 LYS 45 3HG LYS 45 1.794 -5.548 2.213 332 HD2 LYS 45 2HD LYS 45 3.372 -7.135 1.924 333 HD3 LYS 45 3HD LYS 45 2.014 -8.237 2.160 334 HE2 LYS 45 2HE LYS 45 1.767 -8.586 -0.162 335 HE3 LYS 45 3HE LYS 45 2.807 -7.217 -0.554 336 HZ1 LYS 45 1HZ LYS 45 4.036 -9.208 -0.894 337 HZ2 LYS 45 2HZ LYS 45 3.630 -9.808 0.633 338 HZ3 LYS 45 3HZ LYS 45 4.658 -8.471 0.496 339 H VAL 46 HN VAL 46 -1.991 -3.860 2.497 340 HA VAL 46 HA VAL 46 -3.954 -5.445 3.973 341 HB VAL 46 HB VAL 46 -3.467 -2.499 4.335 342 HG11 VAL 46 1HG1 VAL 46 -4.873 -4.653 5.783 343 HG12 VAL 46 2HG1 VAL 46 -3.980 -3.499 6.777 344 HG13 VAL 46 3HG1 VAL 46 -5.235 -2.930 5.675 345 HG21 VAL 46 1HG2 VAL 46 -2.017 -3.642 6.327 346 HG22 VAL 46 2HG2 VAL 46 -1.689 -4.744 4.990 347 HG23 VAL 46 3HG2 VAL 46 -1.334 -3.024 4.823 348 H CYS 47 HN CYS 47 -3.736 -3.222 1.355 349 HA CYS 47 HA CYS 47 -6.589 -2.604 1.440 350 HB2 CYS 47 2HB CYS 47 -4.239 -1.530 -0.065 351 HB3 CYS 47 3HB CYS 47 -5.850 -1.321 -0.745 352 H ALA 48 HN ALA 48 -4.216 -4.077 -0.757 353 HA ALA 48 HA ALA 48 -6.051 -4.845 -2.748 354 HB1 ALA 48 1HB ALA 48 -3.996 -6.716 -2.830 355 HB2 ALA 48 2HB ALA 48 -4.087 -5.200 -3.727 356 HB3 ALA 48 3HB ALA 48 -3.251 -5.258 -2.176 357 H LYS 49 HN LYS 49 -5.389 -6.133 0.362 358 HA LYS 49 HA LYS 49 -6.421 -8.773 -0.220 359 HB2 LYS 49 2HB LYS 49 -5.719 -9.374 1.881 360 HB3 LYS 49 3HB LYS 49 -4.641 -8.018 1.579 361 HG2 LYS 49 2HG LYS 49 -6.014 -6.559 2.900 362 HG3 LYS 49 3HG LYS 49 -7.236 -7.819 3.092 363 HD2 LYS 49 2HD LYS 49 -5.893 -9.072 4.524 364 HD3 LYS 49 3HD LYS 49 -4.412 -8.273 3.991 365 HE2 LYS 49 2HE LYS 49 -4.591 -6.964 5.782 366 HE3 LYS 49 3HE LYS 49 -5.990 -6.223 5.008 367 HZ1 LYS 49 1HZ LYS 49 -6.906 -8.554 6.163 368 HZ2 LYS 49 2HZ LYS 49 -7.190 -6.973 6.695 369 HZ3 LYS 49 3HZ LYS 49 -5.889 -7.857 7.321 370 H GLU 50 HN GLU 50 -7.581 -5.747 1.056 371 HA GLU 50 HA GLU 50 -10.268 -6.926 1.264 372 HB2 GLU 50 2HB GLU 50 -8.912 -6.253 3.475 373 HB3 GLU 50 3HB GLU 50 -9.590 -4.680 3.084 374 HG2 GLU 50 2HG GLU 50 -11.776 -6.253 2.830 375 HG3 GLU 50 3HG GLU 50 -10.894 -7.100 4.099 376 H ILE 51 HN ILE 51 -11.370 -4.351 2.099 377 HA ILE 51 HA ILE 51 -11.071 -2.855 -0.423 378 HB ILE 51 HB ILE 51 -13.532 -3.679 1.049 379 HG12 ILE 51 2HG1 ILE 51 -13.539 -3.211 -1.861 380 HG13 ILE 51 3HG1 ILE 51 -12.390 -4.428 -1.316 381 HG21 ILE 51 1HG2 ILE 51 -13.850 -1.351 1.153 382 HG22 ILE 51 2HG2 ILE 51 -13.186 -1.106 -0.462 383 HG23 ILE 51 3HG2 ILE 51 -14.758 -1.880 -0.263 384 HD11 ILE 51 1HD1 ILE 51 -14.428 -5.515 -1.894 385 HD12 ILE 51 2HD1 ILE 51 -14.262 -5.564 -0.137 386 HD13 ILE 51 3HD1 ILE 51 -15.365 -4.409 -0.889 387 H GLU 52 HN GLU 52 -11.148 -2.774 3.008 388 HA GLU 52 HA GLU 52 -10.818 -1.122 4.536 389 HB2 GLU 52 2HB GLU 52 -9.129 -0.566 2.414 390 HB3 GLU 52 3HB GLU 52 -9.961 0.961 2.678 391 HG2 GLU 52 2HG GLU 52 -8.739 -0.525 4.966 392 HG3 GLU 52 3HG GLU 52 -7.757 0.501 3.924 393 H LEU 53 HN LEU 53 -11.631 0.933 5.313 394 HA LEU 53 HA LEU 53 -14.126 1.676 3.953 395 HB2 LEU 53 2HB LEU 53 -15.083 2.009 5.973 396 HB3 LEU 53 3HB LEU 53 -13.841 0.861 6.469 397 HG LEU 53 HG LEU 53 -13.774 3.858 6.803 398 HD11 LEU 53 1HD1 LEU 53 -13.568 3.078 9.245 399 HD12 LEU 53 2HD1 LEU 53 -14.208 1.544 8.654 400 HD13 LEU 53 3HD1 LEU 53 -15.154 3.021 8.475 401 HD21 LEU 53 1HD2 LEU 53 -11.668 3.342 8.095 402 HD22 LEU 53 2HD2 LEU 53 -11.547 3.208 6.340 403 HD23 LEU 53 3HD2 LEU 53 -11.690 1.754 7.330 Start of MODEL 10 1 H1 SER 1 HN SER 1 9.344 11.460 12.226 2 HA SER 1 HA SER 1 8.150 9.452 10.915 3 HB2 SER 1 2HB SER 1 7.727 10.787 8.608 4 HB3 SER 1 3HB SER 1 6.452 10.475 9.786 5 HG SER 1 HG SER 1 6.297 12.542 10.052 6 H ASP 2 HN ASP 2 9.864 8.399 10.194 7 HA ASP 2 HA ASP 2 12.083 9.942 9.024 8 HB2 ASP 2 2HB ASP 2 12.179 7.201 10.302 9 HB3 ASP 2 3HB ASP 2 13.557 8.126 9.712 10 H ARG 3 HN ARG 3 9.520 8.353 7.994 11 HA ARG 3 HA ARG 3 8.987 7.541 5.919 12 HB2 ARG 3 2HB ARG 3 11.903 7.312 5.229 13 HB3 ARG 3 3HB ARG 3 10.534 7.549 4.152 14 HG2 ARG 3 2HG ARG 3 10.818 9.710 6.069 15 HG3 ARG 3 3HG ARG 3 12.254 9.495 5.064 16 HD2 ARG 3 2HD ARG 3 11.197 10.166 3.189 17 HD3 ARG 3 3HD ARG 3 9.688 9.370 3.633 18 HE ARG 3 HE ARG 3 9.834 11.471 5.345 19 HH11 ARG 3 1HH1 ARG 3 10.021 11.150 1.883 20 HH12 ARG 3 2HH1 ARG 3 9.349 12.717 1.571 21 HH21 ARG 3 1HH2 ARG 3 8.949 13.535 4.947 22 HH22 ARG 3 2HH2 ARG 3 8.742 14.073 3.315 23 H THR 4 HN THR 4 8.545 5.772 7.583 24 HA THR 4 HA THR 4 10.115 3.374 6.889 25 HB THR 4 HB THR 4 8.532 3.107 9.318 26 HG1 THR 4 1HG THR 4 9.557 4.606 10.549 27 HG21 THR 4 1HG2 THR 4 10.458 1.677 8.385 28 HG22 THR 4 2HG2 THR 4 10.440 2.009 10.117 29 HG23 THR 4 3HG2 THR 4 11.518 2.916 9.057 30 H CYS 5 HN CYS 5 9.021 1.497 6.384 31 HA CYS 5 HA CYS 5 6.632 1.640 5.032 32 HB2 CYS 5 2HB CYS 5 8.284 -0.255 4.973 33 HB3 CYS 5 3HB CYS 5 7.611 -0.814 6.500 34 H ALA 6 HN ALA 6 4.488 1.123 5.495 35 HA ALA 6 HA ALA 6 3.748 1.498 8.302 36 HB1 ALA 6 1HB ALA 6 1.863 1.501 5.963 37 HB2 ALA 6 2HB ALA 6 1.642 2.225 7.557 38 HB3 ALA 6 3HB ALA 6 2.798 2.924 6.424 39 H ARG 7 HN ARG 7 4.653 -1.073 6.864 40 HA ARG 7 HA ARG 7 2.489 -2.744 7.940 41 HB2 ARG 7 2HB ARG 7 3.990 -3.336 5.384 42 HB3 ARG 7 3HB ARG 7 2.697 -4.298 6.088 43 HG2 ARG 7 2HG ARG 7 2.368 -1.469 5.115 44 HG3 ARG 7 3HG ARG 7 1.996 -2.906 4.160 45 HD2 ARG 7 2HD ARG 7 0.506 -1.655 6.354 46 HD3 ARG 7 3HD ARG 7 -0.065 -2.656 5.020 47 HE ARG 7 HE ARG 7 0.591 -3.523 7.671 48 HH11 ARG 7 1HH1 ARG 7 0.397 -4.495 4.334 49 HH12 ARG 7 2HH1 ARG 7 0.188 -6.175 4.700 50 HH21 ARG 7 1HH2 ARG 7 0.316 -5.732 8.166 51 HH22 ARG 7 2HH2 ARG 7 0.141 -6.877 6.879 52 H CYS 8 HN CYS 8 5.883 -2.506 6.985 53 HA CYS 8 HA CYS 8 6.501 -4.664 8.896 54 HB2 CYS 8 2HB CYS 8 8.524 -5.102 7.580 55 HB3 CYS 8 3HB CYS 8 7.077 -5.259 6.588 56 H GLN 9 HN GLN 9 6.816 -1.369 8.215 57 HA GLN 9 HA GLN 9 7.904 0.345 9.241 58 HB2 GLN 9 2HB GLN 9 7.969 -1.816 11.287 59 HB3 GLN 9 3HB GLN 9 9.006 -0.419 11.545 60 HG2 GLN 9 2HG GLN 9 7.238 0.513 12.512 61 HG3 GLN 9 3HG GLN 9 6.614 0.732 10.879 62 HE21 GLN 9 1HE2 GLN 9 5.600 -1.444 10.041 63 HE22 GLN 9 2HE2 GLN 9 4.448 -2.145 11.120 64 H GLU 10 HN GLU 10 9.329 -0.477 7.239 65 HA GLU 10 HA GLU 10 12.069 -0.848 8.258 66 HB2 GLU 10 2HB GLU 10 10.687 -1.893 5.824 67 HB3 GLU 10 3HB GLU 10 12.415 -1.576 5.743 68 HG2 GLU 10 2HG GLU 10 11.088 -3.360 7.772 69 HG3 GLU 10 3HG GLU 10 11.871 -3.915 6.293 70 H SER 11 HN SER 11 13.756 0.325 7.238 71 HA SER 11 HA SER 11 13.213 3.012 6.751 72 HB2 SER 11 2HB SER 11 15.613 2.791 5.575 73 HB3 SER 11 3HB SER 11 15.413 2.752 7.327 74 HG SER 11 HG SER 11 15.641 0.529 5.579 75 H LEU 12 HN LEU 12 12.704 4.174 4.992 76 HA LEU 12 HA LEU 12 12.171 2.724 2.520 77 HB2 LEU 12 2HB LEU 12 11.323 5.349 3.657 78 HB3 LEU 12 3HB LEU 12 11.223 5.086 1.917 79 HG LEU 12 HG LEU 12 9.158 4.655 3.478 80 HD11 LEU 12 1HD1 LEU 12 8.853 4.307 1.211 81 HD12 LEU 12 2HD1 LEU 12 8.559 2.705 1.886 82 HD13 LEU 12 3HD1 LEU 12 10.107 3.071 1.125 83 HD21 LEU 12 1HD2 LEU 12 10.468 1.947 3.555 84 HD22 LEU 12 2HD2 LEU 12 8.962 2.451 4.323 85 HD23 LEU 12 3HD2 LEU 12 10.504 3.075 4.912 86 H GLY 13 HN GLY 13 14.907 3.574 3.492 87 HA2 GLY 13 1HA GLY 13 15.922 5.687 1.981 88 HA3 GLY 13 2HA GLY 13 16.858 4.305 2.531 89 H ARG 14 HN ARG 14 16.962 5.830 0.001 90 HA ARG 14 HA ARG 14 16.941 5.514 -2.277 91 HB2 ARG 14 2HB ARG 14 18.078 2.969 -1.139 92 HB3 ARG 14 3HB ARG 14 18.025 3.264 -2.872 93 HG2 ARG 14 2HG ARG 14 19.323 5.356 -2.482 94 HG3 ARG 14 3HG ARG 14 19.493 4.869 -0.794 95 HD2 ARG 14 2HD ARG 14 20.223 2.642 -2.352 96 HD3 ARG 14 3HD ARG 14 21.006 4.042 -3.084 97 HE ARG 14 HE ARG 14 22.362 4.208 -1.242 98 HH11 ARG 14 1HH1 ARG 14 19.709 2.069 -0.533 99 HH12 ARG 14 2HH1 ARG 14 20.369 1.539 0.978 100 HH21 ARG 14 1HH2 ARG 14 23.242 3.518 0.746 101 HH22 ARG 14 2HH2 ARG 14 22.378 2.365 1.705 102 H LEU 15 HN LEU 15 14.386 5.043 -1.172 103 HA LEU 15 HA LEU 15 13.403 2.924 -2.968 104 HB2 LEU 15 2HB LEU 15 13.152 3.055 -0.185 105 HB3 LEU 15 3HB LEU 15 11.573 3.517 -0.821 106 HG LEU 15 HG LEU 15 13.033 0.911 -1.127 107 HD11 LEU 15 1HD1 LEU 15 10.211 1.552 -0.290 108 HD12 LEU 15 2HD1 LEU 15 11.552 1.289 0.824 109 HD13 LEU 15 3HD1 LEU 15 11.011 -0.019 -0.229 110 HD21 LEU 15 1HD2 LEU 15 11.084 2.174 -2.961 111 HD22 LEU 15 2HD2 LEU 15 10.829 0.473 -2.566 112 HD23 LEU 15 3HD2 LEU 15 12.353 0.993 -3.288 113 H SER 16 HN SER 16 13.255 6.186 -1.983 114 HA SER 16 HA SER 16 12.169 7.986 -2.869 115 HB2 SER 16 2HB SER 16 12.108 6.097 -4.943 116 HB3 SER 16 3HB SER 16 10.453 6.693 -4.809 117 HG SER 16 HG SER 16 12.635 7.928 -5.807 118 HA PRO 17 HA PRO 17 8.544 6.786 -0.282 119 HB2 PRO 17 2HB PRO 17 8.749 8.924 1.378 120 HB3 PRO 17 3HB PRO 17 9.659 7.428 1.621 121 HG2 PRO 17 2HG PRO 17 10.548 10.006 0.387 122 HG3 PRO 17 3HG PRO 17 11.409 8.956 1.528 123 HD2 PRO 17 2HD PRO 17 11.920 8.947 -1.131 124 HD3 PRO 17 3HD PRO 17 12.072 7.491 -0.125 125 H LYS 18 HN LYS 18 9.279 9.122 -2.516 126 HA LYS 18 HA LYS 18 7.079 10.913 -2.084 127 HB2 LYS 18 2HB LYS 18 9.257 11.467 -3.276 128 HB3 LYS 18 3HB LYS 18 8.634 10.552 -4.644 129 HG2 LYS 18 2HG LYS 18 8.290 12.969 -4.886 130 HG3 LYS 18 3HG LYS 18 6.771 12.070 -4.865 131 HD2 LYS 18 2HD LYS 18 6.212 12.822 -2.738 132 HD3 LYS 18 3HD LYS 18 7.883 13.229 -2.337 133 HE2 LYS 18 2HE LYS 18 6.267 14.665 -4.437 134 HE3 LYS 18 3HE LYS 18 6.369 15.190 -2.757 135 HZ1 LYS 18 1HZ LYS 18 8.966 14.755 -3.708 136 HZ2 LYS 18 2HZ LYS 18 8.257 16.214 -3.230 137 HZ3 LYS 18 3HZ LYS 18 8.156 15.713 -4.843 138 H THR 19 HN THR 19 7.594 7.944 -3.809 139 HA THR 19 HA THR 19 4.806 8.055 -4.749 140 HB THR 19 HB THR 19 5.302 7.251 -6.840 141 HG1 THR 19 1HG THR 19 7.372 6.143 -7.238 142 HG21 THR 19 1HG2 THR 19 8.002 8.469 -6.386 143 HG22 THR 19 2HG2 THR 19 6.546 9.459 -6.295 144 HG23 THR 19 3HG2 THR 19 6.941 8.605 -7.786 145 H ASN 20 HN ASN 20 6.068 6.880 -2.333 146 HA ASN 20 HA ASN 20 5.408 4.049 -2.811 147 HB2 ASN 20 2HB ASN 20 7.263 5.282 -0.765 148 HB3 ASN 20 3HB ASN 20 6.802 3.581 -0.782 149 HD21 ASN 20 1HD2 ASN 20 9.342 3.841 -0.875 150 HD22 ASN 20 2HD2 ASN 20 9.999 3.668 -2.462 151 H THR 21 HN THR 21 3.849 6.593 -1.917 152 HA THR 21 HA THR 21 2.797 5.623 0.635 153 HB THR 21 HB THR 21 2.056 8.154 -0.840 154 HG1 THR 21 1HG THR 21 3.638 9.149 0.284 155 HG21 THR 21 1HG2 THR 21 1.742 8.434 1.930 156 HG22 THR 21 2HG2 THR 21 1.058 6.858 1.532 157 HG23 THR 21 3HG2 THR 21 0.468 8.307 0.718 158 H CYS 22 HN CYS 22 1.322 4.058 0.400 159 HA CYS 22 HA CYS 22 -0.191 3.363 -1.741 160 HB2 CYS 22 2HB CYS 22 -0.109 2.073 0.352 161 HB3 CYS 22 3HB CYS 22 -1.100 3.294 1.143 162 H ARG 23 HN ARG 23 -1.909 4.115 -2.826 163 HA ARG 23 HA ARG 23 -2.941 6.723 -2.128 164 HB2 ARG 23 2HB ARG 23 -4.243 5.334 -4.353 165 HB3 ARG 23 3HB ARG 23 -3.462 6.909 -4.311 166 HG2 ARG 23 2HG ARG 23 -1.281 5.405 -4.211 167 HG3 ARG 23 3HG ARG 23 -2.352 4.255 -5.014 168 HD2 ARG 23 2HD ARG 23 -1.924 5.301 -6.928 169 HD3 ARG 23 3HD ARG 23 -2.794 6.699 -6.294 170 HE ARG 23 HE ARG 23 -0.286 6.968 -5.276 171 HH11 ARG 23 1HH1 ARG 23 -1.585 6.561 -8.481 172 HH12 ARG 23 2HH1 ARG 23 -0.313 7.451 -9.250 173 HH21 ARG 23 1HH2 ARG 23 1.394 8.142 -6.279 174 HH22 ARG 23 2HH2 ARG 23 1.381 8.349 -7.997 175 H GLY 24 HN GLY 24 -3.586 4.097 -0.645 176 HA2 GLY 24 1HA GLY 24 -6.527 4.325 -0.801 177 HA3 GLY 24 2HA GLY 24 -5.675 2.869 -0.311 178 H CYS 25 HN CYS 25 -3.861 3.808 1.498 179 HA CYS 25 HA CYS 25 -5.619 4.790 3.642 180 HB2 CYS 25 2HB CYS 25 -3.735 3.817 5.119 181 HB3 CYS 25 3HB CYS 25 -4.822 2.693 4.308 182 H ASN 26 HN ASN 26 -2.848 5.532 1.768 183 HA ASN 26 HA ASN 26 -1.693 7.510 1.618 184 HB2 ASN 26 2HB ASN 26 -3.866 8.300 3.078 185 HB3 ASN 26 3HB ASN 26 -2.550 8.645 4.197 186 HD21 ASN 26 1HD2 ASN 26 -4.053 9.460 1.198 187 HD22 ASN 26 2HD2 ASN 26 -3.132 10.887 0.880 188 H HIS 27 HN HIS 27 -0.943 5.057 3.113 189 HA HIS 27 HA HIS 27 1.050 6.217 4.945 190 HB2 HIS 27 2HB HIS 27 -0.063 3.405 4.884 191 HB3 HIS 27 3HB HIS 27 1.156 3.997 6.010 192 HD1 HIS 27 1HD HIS 27 -0.025 6.569 7.000 193 HD2 HIS 27 2HD HIS 27 -2.310 3.159 6.362 194 HE1 HIS 27 1HE HIS 27 -2.069 6.851 8.438 195 H LEU 28 HN LEU 28 3.150 5.084 5.018 196 HA LEU 28 HA LEU 28 4.164 4.721 2.358 197 HB2 LEU 28 2HB LEU 28 5.371 4.687 5.099 198 HB3 LEU 28 3HB LEU 28 6.305 4.171 3.697 199 HG LEU 28 HG LEU 28 5.102 6.906 4.118 200 HD11 LEU 28 1HD1 LEU 28 7.004 7.499 5.093 201 HD12 LEU 28 2HD1 LEU 28 7.956 6.792 3.789 202 HD13 LEU 28 3HD1 LEU 28 7.446 5.792 5.148 203 HD21 LEU 28 1HD2 LEU 28 6.575 7.421 2.104 204 HD22 LEU 28 2HD2 LEU 28 5.076 6.542 1.800 205 HD23 LEU 28 3HD2 LEU 28 6.615 5.679 1.832 206 H VAL 29 HN VAL 29 5.143 2.869 1.497 207 HA VAL 29 HA VAL 29 5.044 0.364 2.928 208 HB VAL 29 HB VAL 29 3.705 -0.186 0.470 209 HG11 VAL 29 1HG1 VAL 29 2.422 -1.532 1.788 210 HG12 VAL 29 2HG1 VAL 29 3.780 -1.276 2.886 211 HG13 VAL 29 3HG1 VAL 29 2.299 -0.338 3.081 212 HG21 VAL 29 1HG2 VAL 29 1.602 0.992 0.807 213 HG22 VAL 29 2HG2 VAL 29 2.284 1.846 2.191 214 HG23 VAL 29 3HG2 VAL 29 2.922 2.138 0.574 215 H CYS 30 HN CYS 30 6.991 -0.419 2.477 216 HA CYS 30 HA CYS 30 8.679 0.288 0.431 217 HB2 CYS 30 2HB CYS 30 9.948 -1.719 0.922 218 HB3 CYS 30 3HB CYS 30 9.336 -1.035 2.424 219 H ARG 31 HN ARG 31 9.560 -1.547 -1.163 220 HA ARG 31 HA ARG 31 7.404 -1.963 -3.042 221 HB2 ARG 31 2HB ARG 31 9.244 -2.809 -4.524 222 HB3 ARG 31 3HB ARG 31 9.463 -1.160 -3.954 223 HG2 ARG 31 2HG ARG 31 11.196 -1.740 -2.535 224 HG3 ARG 31 3HG ARG 31 10.718 -3.439 -2.486 225 HD2 ARG 31 2HD ARG 31 11.354 -2.552 -5.175 226 HD3 ARG 31 3HD ARG 31 12.704 -2.322 -4.063 227 HE ARG 31 HE ARG 31 11.588 -4.836 -4.959 228 HH11 ARG 31 1HH1 ARG 31 13.583 -3.201 -2.620 229 HH12 ARG 31 2HH1 ARG 31 14.455 -4.630 -2.173 230 HH21 ARG 31 1HH2 ARG 31 12.729 -6.723 -4.377 231 HH22 ARG 31 2HH2 ARG 31 13.969 -6.633 -3.173 232 H ASP 32 HN ASP 32 7.738 -3.551 -0.465 233 HA ASP 32 HA ASP 32 7.511 -6.210 -1.711 234 HB2 ASP 32 2HB ASP 32 9.632 -5.819 -0.330 235 HB3 ASP 32 3HB ASP 32 8.573 -5.781 1.077 236 H CYS 33 HN CYS 33 6.033 -3.796 0.058 237 HA CYS 33 HA CYS 33 4.103 -5.680 1.242 238 HB2 CYS 33 2HB CYS 33 4.922 -2.895 2.056 239 HB3 CYS 33 3HB CYS 33 3.449 -3.650 2.656 240 H ARG 34 HN ARG 34 4.350 -4.362 -1.527 241 HA ARG 34 HA ARG 34 1.667 -3.145 -1.586 242 HB2 ARG 34 2HB ARG 34 3.196 -2.735 -4.006 243 HB3 ARG 34 3HB ARG 34 2.457 -1.549 -2.939 244 HG2 ARG 34 2HG ARG 34 4.394 -1.482 -1.550 245 HG3 ARG 34 3HG ARG 34 5.114 -2.850 -2.400 246 HD2 ARG 34 2HD ARG 34 5.733 -1.589 -4.191 247 HD3 ARG 34 3HD ARG 34 4.369 -0.485 -4.021 248 HE ARG 34 HE ARG 34 5.831 0.141 -1.876 249 HH11 ARG 34 1HH1 ARG 34 6.724 -0.318 -5.210 250 HH12 ARG 34 2HH1 ARG 34 8.043 0.805 -5.147 251 HH21 ARG 34 1HH2 ARG 34 7.564 1.622 -1.781 252 HH22 ARG 34 2HH2 ARG 34 8.519 1.908 -3.196 253 H ILE 35 HN ILE 35 0.307 -3.644 -3.407 254 HA ILE 35 HA ILE 35 0.920 -6.259 -4.623 255 HB ILE 35 HB ILE 35 -1.658 -5.211 -3.498 256 HG12 ILE 35 2HG1 ILE 35 -1.699 -7.540 -2.543 257 HG13 ILE 35 3HG1 ILE 35 -0.098 -7.789 -3.231 258 HG21 ILE 35 1HG2 ILE 35 -1.357 -7.424 -5.525 259 HG22 ILE 35 2HG2 ILE 35 -2.823 -7.082 -4.606 260 HG23 ILE 35 3HG2 ILE 35 -2.202 -5.893 -5.753 261 HD11 ILE 35 1HD1 ILE 35 0.905 -6.338 -1.750 262 HD12 ILE 35 2HD1 ILE 35 -0.600 -5.483 -1.406 263 HD13 ILE 35 3HD1 ILE 35 -0.336 -7.100 -0.755 264 H GLN 36 HN GLN 36 1.173 -6.147 -6.745 265 HA GLN 36 HA GLN 36 0.717 -3.890 -8.307 266 HB2 GLN 36 2HB GLN 36 1.552 -6.635 -8.739 267 HB3 GLN 36 3HB GLN 36 0.569 -6.044 -10.073 268 HG2 GLN 36 2HG GLN 36 2.694 -4.237 -9.117 269 HG3 GLN 36 3HG GLN 36 3.221 -5.715 -9.920 270 HE21 GLN 36 1HE2 GLN 36 0.574 -3.397 -10.402 271 HE22 GLN 36 2HE2 GLN 36 0.888 -3.128 -12.079 272 H GLU 37 HN GLU 37 -1.346 -3.068 -8.047 273 HA GLU 37 HA GLU 37 -3.695 -4.648 -8.406 274 HB2 GLU 37 2HB GLU 37 -3.286 -1.654 -8.384 275 HB3 GLU 37 3HB GLU 37 -4.859 -2.434 -8.440 276 HG2 GLU 37 2HG GLU 37 -2.919 -3.044 -6.248 277 HG3 GLU 37 3HG GLU 37 -3.958 -1.622 -6.178 278 H SER 38 HN SER 38 -5.191 -4.572 -10.124 279 HA SER 38 HA SER 38 -3.930 -4.153 -12.721 280 HB2 SER 38 2HB SER 38 -5.010 -6.294 -12.424 281 HB3 SER 38 3HB SER 38 -6.512 -5.517 -11.924 282 HG SER 38 HG SER 38 -5.363 -5.004 -14.450 283 H ASN 39 HN ASN 39 -4.586 -1.814 -11.286 284 HA ASN 39 HA ASN 39 -6.681 -0.701 -13.028 285 HB2 ASN 39 2HB ASN 39 -6.165 0.067 -10.146 286 HB3 ASN 39 3HB ASN 39 -7.378 0.779 -11.205 287 HD21 ASN 39 1HD2 ASN 39 -6.345 -2.367 -9.946 288 HD22 ASN 39 2HD2 ASN 39 -7.939 -3.002 -9.746 289 H GLY 40 HN GLY 40 -3.603 -0.804 -12.938 290 HA2 GLY 40 1HA GLY 40 -2.065 0.636 -13.930 291 HA3 GLY 40 2HA GLY 40 -3.250 1.929 -13.829 292 H THR 41 HN THR 41 -2.643 0.137 -10.961 293 HA THR 41 HA THR 41 -0.551 1.877 -9.996 294 HB THR 41 HB THR 41 -2.685 3.201 -9.703 295 HG1 THR 41 1HG THR 41 -0.762 3.465 -8.378 296 HG21 THR 41 1HG2 THR 41 -3.677 0.808 -8.731 297 HG22 THR 41 2HG2 THR 41 -4.446 2.388 -8.586 298 HG23 THR 41 3HG2 THR 41 -3.432 1.778 -7.279 299 H TRP 42 HN TRP 42 -1.020 1.484 -7.244 300 HA TRP 42 HA TRP 42 -1.128 -1.420 -6.907 301 HB2 TRP 42 2HB TRP 42 0.947 -1.375 -5.544 302 HB3 TRP 42 3HB TRP 42 1.231 -0.966 -7.234 303 HD1 TRP 42 1HD TRP 42 1.993 1.529 -7.785 304 HE1 TRP 42 1HE TRP 42 2.948 3.410 -6.311 305 HE3 TRP 42 3HE TRP 42 0.801 -0.358 -3.186 306 HZ2 TRP 42 2HZ TRP 42 3.167 4.015 -3.563 307 HZ3 TRP 42 3HZ TRP 42 1.419 0.934 -1.185 308 HH2 TRP 42 2HH TRP 42 2.578 3.074 -1.371 309 H ARG 43 HN ARG 43 -1.314 -2.079 -4.645 310 HA ARG 43 HA ARG 43 -2.095 0.012 -2.768 311 HB2 ARG 43 2HB ARG 43 -3.933 -2.065 -3.894 312 HB3 ARG 43 3HB ARG 43 -4.153 -1.523 -2.235 313 HG2 ARG 43 2HG ARG 43 -3.845 0.752 -3.934 314 HG3 ARG 43 3HG ARG 43 -5.083 -0.316 -4.597 315 HD2 ARG 43 2HD ARG 43 -5.030 0.493 -1.701 316 HD3 ARG 43 3HD ARG 43 -5.848 1.453 -2.933 317 HE ARG 43 HE ARG 43 -6.608 -1.333 -2.860 318 HH11 ARG 43 1HH1 ARG 43 -7.256 1.883 -1.695 319 HH12 ARG 43 2HH1 ARG 43 -8.904 1.544 -1.285 320 HH21 ARG 43 1HH2 ARG 43 -8.777 -1.793 -2.324 321 HH22 ARG 43 2HH2 ARG 43 -9.768 -0.548 -1.643 322 H CYS 44 HN CYS 44 -1.413 -0.430 -0.769 323 HA CYS 44 HA CYS 44 0.319 -2.399 -0.084 324 HB2 CYS 44 2HB CYS 44 -0.138 -1.920 2.228 325 HB3 CYS 44 3HB CYS 44 -0.295 -0.419 1.322 326 H LYS 45 HN LYS 45 0.092 -4.279 1.360 327 HA LYS 45 HA LYS 45 -1.742 -6.156 0.310 328 HB2 LYS 45 2HB LYS 45 -0.464 -6.681 2.942 329 HB3 LYS 45 3HB LYS 45 -0.605 -7.724 1.533 330 HG2 LYS 45 2HG LYS 45 1.079 -6.128 0.434 331 HG3 LYS 45 3HG LYS 45 1.391 -5.560 2.076 332 HD2 LYS 45 2HD LYS 45 2.980 -7.218 1.852 333 HD3 LYS 45 3HD LYS 45 1.649 -8.107 2.599 334 HE2 LYS 45 2HE LYS 45 1.274 -8.159 -0.215 335 HE3 LYS 45 3HE LYS 45 2.949 -8.597 0.117 336 HZ1 LYS 45 1HZ LYS 45 0.624 -10.148 0.460 337 HZ2 LYS 45 2HZ LYS 45 1.371 -9.944 1.964 338 HZ3 LYS 45 3HZ LYS 45 2.240 -10.604 0.671 339 H VAL 46 HN VAL 46 -2.244 -3.702 2.478 340 HA VAL 46 HA VAL 46 -4.282 -5.144 4.013 341 HB VAL 46 HB VAL 46 -3.445 -2.273 4.391 342 HG11 VAL 46 1HG1 VAL 46 -4.399 -2.516 6.586 343 HG12 VAL 46 2HG1 VAL 46 -5.592 -3.024 5.388 344 HG13 VAL 46 3HG1 VAL 46 -4.697 -4.232 6.310 345 HG21 VAL 46 1HG2 VAL 46 -1.540 -3.948 4.555 346 HG22 VAL 46 2HG2 VAL 46 -1.818 -2.926 5.964 347 HG23 VAL 46 3HG2 VAL 46 -2.374 -4.599 5.966 348 H CYS 47 HN CYS 47 -3.928 -3.006 1.369 349 HA CYS 47 HA CYS 47 -6.752 -2.210 1.505 350 HB2 CYS 47 2HB CYS 47 -4.388 -1.098 0.006 351 HB3 CYS 47 3HB CYS 47 -6.041 -0.661 -0.417 352 H ALA 48 HN ALA 48 -4.374 -3.844 -0.503 353 HA ALA 48 HA ALA 48 -6.230 -4.327 -2.654 354 HB1 ALA 48 1HB ALA 48 -4.266 -5.972 -3.289 355 HB2 ALA 48 2HB ALA 48 -4.115 -4.228 -3.508 356 HB3 ALA 48 3HB ALA 48 -3.389 -5.006 -2.101 357 H LYS 49 HN LYS 49 -5.103 -6.017 0.186 358 HA LYS 49 HA LYS 49 -6.473 -8.469 -0.620 359 HB2 LYS 49 2HB LYS 49 -4.120 -8.202 0.603 360 HB3 LYS 49 3HB LYS 49 -5.144 -8.213 2.033 361 HG2 LYS 49 2HG LYS 49 -5.816 -10.387 1.705 362 HG3 LYS 49 3HG LYS 49 -5.488 -10.339 -0.029 363 HD2 LYS 49 2HD LYS 49 -3.626 -11.476 0.501 364 HD3 LYS 49 3HD LYS 49 -3.006 -9.907 1.020 365 HE2 LYS 49 2HE LYS 49 -2.692 -10.857 3.015 366 HE3 LYS 49 3HE LYS 49 -4.442 -10.772 3.205 367 HZ1 LYS 49 1HZ LYS 49 -3.381 -13.070 1.757 368 HZ2 LYS 49 2HZ LYS 49 -4.681 -12.976 2.837 369 HZ3 LYS 49 3HZ LYS 49 -3.095 -13.027 3.424 370 H GLU 50 HN GLU 50 -8.611 -8.382 -0.298 371 HA GLU 50 HA GLU 50 -9.586 -7.287 2.256 372 HB2 GLU 50 2HB GLU 50 -11.613 -6.691 1.204 373 HB3 GLU 50 3HB GLU 50 -10.348 -6.203 0.085 374 HG2 GLU 50 2HG GLU 50 -10.755 -8.504 -1.012 375 HG3 GLU 50 3HG GLU 50 -12.277 -8.474 -0.124 376 H ILE 51 HN ILE 51 -9.967 -8.860 3.667 377 HA ILE 51 HA ILE 51 -10.649 -11.533 2.801 378 HB ILE 51 HB ILE 51 -10.377 -10.380 5.579 379 HG12 ILE 51 2HG1 ILE 51 -8.502 -12.259 4.144 380 HG13 ILE 51 3HG1 ILE 51 -8.318 -10.510 4.080 381 HG21 ILE 51 1HG2 ILE 51 -10.517 -13.281 4.784 382 HG22 ILE 51 2HG2 ILE 51 -10.472 -12.613 6.415 383 HG23 ILE 51 3HG2 ILE 51 -11.891 -12.362 5.398 384 HD11 ILE 51 1HD1 ILE 51 -8.372 -12.081 6.641 385 HD12 ILE 51 2HD1 ILE 51 -6.896 -11.665 5.769 386 HD13 ILE 51 3HD1 ILE 51 -7.925 -10.389 6.419 387 H GLU 52 HN GLU 52 -12.614 -12.444 2.779 388 HA GLU 52 HA GLU 52 -14.959 -11.108 2.640 389 HB2 GLU 52 2HB GLU 52 -14.352 -13.899 3.552 390 HB3 GLU 52 3HB GLU 52 -16.009 -13.313 3.555 391 HG2 GLU 52 2HG GLU 52 -15.926 -12.905 1.190 392 HG3 GLU 52 3HG GLU 52 -14.213 -13.315 1.142 393 H LEU 53 HN LEU 53 -13.842 -12.739 5.610 394 HA LEU 53 HA LEU 53 -15.873 -11.758 7.272 395 HB2 LEU 53 2HB LEU 53 -13.284 -13.092 7.613 396 HB3 LEU 53 3HB LEU 53 -13.773 -12.090 8.978 397 HG LEU 53 HG LEU 53 -15.897 -13.857 8.043 398 HD11 LEU 53 1HD1 LEU 53 -14.134 -15.374 7.497 399 HD12 LEU 53 2HD1 LEU 53 -14.848 -15.894 9.023 400 HD13 LEU 53 3HD1 LEU 53 -13.304 -15.042 9.016 401 HD21 LEU 53 1HD2 LEU 53 -15.991 -12.615 10.132 402 HD22 LEU 53 2HD2 LEU 53 -14.540 -13.437 10.705 403 HD23 LEU 53 3HD2 LEU 53 -16.026 -14.352 10.441 Start of MODEL 11 1 H1 SER 1 HN SER 1 7.489 9.017 12.217 2 HA SER 1 HA SER 1 7.620 10.868 10.125 3 HB2 SER 1 2HB SER 1 7.637 10.986 12.902 4 HB3 SER 1 3HB SER 1 9.197 11.668 12.443 5 HG SER 1 HG SER 1 8.020 13.400 12.159 6 H ASP 2 HN ASP 2 9.486 8.461 10.034 7 HA ASP 2 HA ASP 2 11.899 9.981 9.307 8 HB2 ASP 2 2HB ASP 2 11.637 7.781 11.197 9 HB3 ASP 2 3HB ASP 2 12.804 7.424 9.925 10 H ARG 3 HN ARG 3 9.400 8.288 8.149 11 HA ARG 3 HA ARG 3 9.003 7.523 6.019 12 HB2 ARG 3 2HB ARG 3 11.952 7.348 5.476 13 HB3 ARG 3 3HB ARG 3 10.632 7.610 4.342 14 HG2 ARG 3 2HG ARG 3 10.746 9.729 6.288 15 HG3 ARG 3 3HG ARG 3 12.296 9.532 5.467 16 HD2 ARG 3 2HD ARG 3 10.623 9.356 3.367 17 HD3 ARG 3 3HD ARG 3 9.684 10.416 4.416 18 HE ARG 3 HE ARG 3 12.406 11.251 4.168 19 HH11 ARG 3 1HH1 ARG 3 9.281 11.323 2.634 20 HH12 ARG 3 2HH1 ARG 3 9.600 12.783 1.758 21 HH21 ARG 3 1HH2 ARG 3 12.837 13.175 3.020 22 HH22 ARG 3 2HH2 ARG 3 11.623 13.835 1.979 23 H THR 4 HN THR 4 8.520 5.728 7.652 24 HA THR 4 HA THR 4 10.144 3.364 6.970 25 HB THR 4 HB THR 4 8.589 2.988 9.380 26 HG1 THR 4 1HG THR 4 9.310 4.606 10.598 27 HG21 THR 4 1HG2 THR 4 10.539 1.641 8.570 28 HG22 THR 4 2HG2 THR 4 10.672 2.173 10.246 29 HG23 THR 4 3HG2 THR 4 11.581 3.003 8.983 30 H CYS 5 HN CYS 5 9.089 1.526 6.348 31 HA CYS 5 HA CYS 5 6.682 1.650 5.046 32 HB2 CYS 5 2HB CYS 5 8.369 -0.208 4.908 33 HB3 CYS 5 3HB CYS 5 7.729 -0.827 6.427 34 H ALA 6 HN ALA 6 4.563 0.920 5.508 35 HA ALA 6 HA ALA 6 3.805 1.336 8.301 36 HB1 ALA 6 1HB ALA 6 2.715 2.233 5.929 37 HB2 ALA 6 2HB ALA 6 1.613 0.952 6.436 38 HB3 ALA 6 3HB ALA 6 1.955 2.301 7.519 39 H ARG 7 HN ARG 7 4.764 -1.223 6.639 40 HA ARG 7 HA ARG 7 2.823 -3.025 7.932 41 HB2 ARG 7 2HB ARG 7 4.348 -3.737 5.436 42 HB3 ARG 7 3HB ARG 7 2.942 -4.540 6.121 43 HG2 ARG 7 2HG ARG 7 3.038 -1.877 4.730 44 HG3 ARG 7 3HG ARG 7 2.231 -3.351 4.192 45 HD2 ARG 7 2HD ARG 7 1.408 -1.360 6.224 46 HD3 ARG 7 3HD ARG 7 0.435 -2.262 5.063 47 HE ARG 7 HE ARG 7 1.179 -4.198 6.741 48 HH11 ARG 7 1HH1 ARG 7 -0.087 -1.010 7.342 49 HH12 ARG 7 2HH1 ARG 7 -0.866 -1.457 8.824 50 HH21 ARG 7 1HH2 ARG 7 0.157 -4.798 8.690 51 HH22 ARG 7 2HH2 ARG 7 -0.725 -3.612 9.591 52 H CYS 8 HN CYS 8 6.154 -2.741 6.723 53 HA CYS 8 HA CYS 8 6.987 -4.805 8.634 54 HB2 CYS 8 2HB CYS 8 8.864 -3.617 6.635 55 HB3 CYS 8 3HB CYS 8 8.800 -5.256 7.273 56 H GLN 9 HN GLN 9 7.048 -1.433 8.093 57 HA GLN 9 HA GLN 9 7.853 0.300 9.331 58 HB2 GLN 9 2HB GLN 9 7.865 -1.951 11.172 59 HB3 GLN 9 3HB GLN 9 9.147 -0.802 11.534 60 HG2 GLN 9 2HG GLN 9 7.719 0.751 12.273 61 HG3 GLN 9 3HG GLN 9 6.546 0.425 10.999 62 HE21 GLN 9 1HE2 GLN 9 5.108 -1.363 11.276 63 HE22 GLN 9 2HE2 GLN 9 4.684 -1.901 12.862 64 H GLU 10 HN GLU 10 9.460 -1.068 7.324 65 HA GLU 10 HA GLU 10 12.183 -0.842 8.348 66 HB2 GLU 10 2HB GLU 10 10.909 -2.075 5.972 67 HB3 GLU 10 3HB GLU 10 12.534 -1.445 5.749 68 HG2 GLU 10 2HG GLU 10 11.667 -3.509 7.758 69 HG3 GLU 10 3HG GLU 10 12.633 -3.780 6.309 70 H SER 11 HN SER 11 13.676 0.642 7.623 71 HA SER 11 HA SER 11 12.855 3.211 7.058 72 HB2 SER 11 2HB SER 11 15.093 2.749 7.878 73 HB3 SER 11 3HB SER 11 15.498 1.893 6.390 74 HG SER 11 HG SER 11 15.755 4.473 6.896 75 H LEU 12 HN LEU 12 12.750 4.487 5.207 76 HA LEU 12 HA LEU 12 12.428 2.974 2.705 77 HB2 LEU 12 2HB LEU 12 11.138 5.457 3.769 78 HB3 LEU 12 3HB LEU 12 11.156 5.125 2.039 79 HG LEU 12 HG LEU 12 9.110 4.445 3.548 80 HD11 LEU 12 1HD1 LEU 12 10.095 2.411 1.581 81 HD12 LEU 12 2HD1 LEU 12 9.603 4.024 1.067 82 HD13 LEU 12 3HD1 LEU 12 8.446 2.966 1.876 83 HD21 LEU 12 1HD2 LEU 12 10.772 1.945 3.721 84 HD22 LEU 12 2HD2 LEU 12 9.198 2.265 4.450 85 HD23 LEU 12 3HD2 LEU 12 10.634 3.095 5.050 86 H GLY 13 HN GLY 13 14.959 4.040 3.813 87 HA2 GLY 13 1HA GLY 13 15.982 6.325 2.856 88 HA3 GLY 13 2HA GLY 13 16.873 4.814 2.749 89 H ARG 14 HN ARG 14 16.972 3.707 0.791 90 HA ARG 14 HA ARG 14 16.592 5.384 -1.533 91 HB2 ARG 14 2HB ARG 14 17.694 2.577 -1.307 92 HB3 ARG 14 3HB ARG 14 17.752 3.588 -2.745 93 HG2 ARG 14 2HG ARG 14 18.947 4.608 -0.216 94 HG3 ARG 14 3HG ARG 14 19.816 3.391 -1.154 95 HD2 ARG 14 2HD ARG 14 20.652 5.237 -2.170 96 HD3 ARG 14 3HD ARG 14 19.183 5.066 -3.132 97 HE ARG 14 HE ARG 14 18.519 6.653 -0.969 98 HH11 ARG 14 1HH1 ARG 14 20.718 6.788 -3.664 99 HH12 ARG 14 2HH1 ARG 14 20.692 8.517 -3.767 100 HH21 ARG 14 1HH2 ARG 14 18.475 8.930 -1.094 101 HH22 ARG 14 2HH2 ARG 14 19.416 9.735 -2.304 102 H LEU 15 HN LEU 15 14.170 4.637 -0.303 103 HA LEU 15 HA LEU 15 13.039 2.593 -2.068 104 HB2 LEU 15 2HB LEU 15 12.392 3.664 0.582 105 HB3 LEU 15 3HB LEU 15 10.991 3.394 -0.454 106 HG LEU 15 HG LEU 15 11.957 1.538 1.201 107 HD11 LEU 15 1HD1 LEU 15 9.917 1.472 -0.241 108 HD12 LEU 15 2HD1 LEU 15 10.736 -0.078 -0.055 109 HD13 LEU 15 3HD1 LEU 15 10.929 0.847 -1.544 110 HD21 LEU 15 1HD2 LEU 15 13.216 0.665 -1.365 111 HD22 LEU 15 2HD2 LEU 15 13.496 0.084 0.277 112 HD23 LEU 15 3HD2 LEU 15 14.129 1.653 -0.224 113 H SER 16 HN SER 16 12.876 6.010 -1.329 114 HA SER 16 HA SER 16 12.164 7.731 -2.685 115 HB2 SER 16 2HB SER 16 12.269 5.695 -4.507 116 HB3 SER 16 3HB SER 16 10.554 6.109 -4.544 117 HG SER 16 HG SER 16 12.052 7.310 -5.991 118 HA PRO 17 HA PRO 17 8.232 7.212 -0.333 119 HB2 PRO 17 2HB PRO 17 8.482 9.554 1.018 120 HB3 PRO 17 3HB PRO 17 9.228 8.046 1.562 121 HG2 PRO 17 2HG PRO 17 10.452 10.335 0.069 122 HG3 PRO 17 3HG PRO 17 11.111 9.405 1.428 123 HD2 PRO 17 2HD PRO 17 11.851 8.958 -1.139 124 HD3 PRO 17 3HD PRO 17 11.781 7.664 0.075 125 H LYS 18 HN LYS 18 9.351 9.093 -2.809 126 HA LYS 18 HA LYS 18 7.345 11.133 -2.861 127 HB2 LYS 18 2HB LYS 18 9.502 11.454 -3.966 128 HB3 LYS 18 3HB LYS 18 9.166 10.105 -5.044 129 HG2 LYS 18 2HG LYS 18 8.720 12.022 -6.305 130 HG3 LYS 18 3HG LYS 18 7.135 11.423 -5.813 131 HD2 LYS 18 2HD LYS 18 6.907 13.096 -4.162 132 HD3 LYS 18 3HD LYS 18 8.615 13.531 -4.259 133 HE2 LYS 18 2HE LYS 18 8.301 14.865 -6.044 134 HE3 LYS 18 3HE LYS 18 7.138 13.766 -6.786 135 HZ1 LYS 18 1HZ LYS 18 5.659 15.323 -6.224 136 HZ2 LYS 18 2HZ LYS 18 6.684 16.058 -5.098 137 HZ3 LYS 18 3HZ LYS 18 5.778 14.699 -4.657 138 H THR 19 HN THR 19 7.633 7.883 -4.094 139 HA THR 19 HA THR 19 4.878 8.079 -5.106 140 HB THR 19 HB THR 19 5.461 7.492 -7.172 141 HG1 THR 19 1HG THR 19 6.396 5.479 -7.545 142 HG21 THR 19 1HG2 THR 19 8.340 7.277 -6.312 143 HG22 THR 19 2HG2 THR 19 7.521 8.823 -6.544 144 HG23 THR 19 3HG2 THR 19 7.708 7.711 -7.900 145 H ASN 20 HN ASN 20 6.778 6.772 -2.836 146 HA ASN 20 HA ASN 20 5.625 4.087 -2.919 147 HB2 ASN 20 2HB ASN 20 7.728 5.317 -1.125 148 HB3 ASN 20 3HB ASN 20 7.144 3.662 -0.973 149 HD21 ASN 20 1HD2 ASN 20 9.230 2.876 -1.350 150 HD22 ASN 20 2HD2 ASN 20 9.917 2.859 -2.935 151 H THR 21 HN THR 21 3.664 5.880 -2.540 152 HA THR 21 HA THR 21 2.967 5.495 0.291 153 HB THR 21 HB THR 21 2.281 7.977 -1.294 154 HG1 THR 21 1HG THR 21 4.583 7.413 -0.279 155 HG21 THR 21 1HG2 THR 21 1.089 8.706 0.499 156 HG22 THR 21 2HG2 THR 21 2.119 7.870 1.661 157 HG23 THR 21 3HG2 THR 21 0.891 6.975 0.767 158 H CYS 22 HN CYS 22 1.354 4.073 0.292 159 HA CYS 22 HA CYS 22 -0.274 3.334 -1.794 160 HB2 CYS 22 2HB CYS 22 -0.094 2.095 0.333 161 HB3 CYS 22 3HB CYS 22 -1.018 3.358 1.139 162 H ARG 23 HN ARG 23 -2.160 4.015 -2.681 163 HA ARG 23 HA ARG 23 -3.010 6.714 -2.026 164 HB2 ARG 23 2HB ARG 23 -4.554 5.362 -4.088 165 HB3 ARG 23 3HB ARG 23 -3.628 6.854 -4.176 166 HG2 ARG 23 2HG ARG 23 -1.576 5.250 -4.246 167 HG3 ARG 23 3HG ARG 23 -2.775 4.059 -4.756 168 HD2 ARG 23 2HD ARG 23 -2.450 6.745 -6.075 169 HD3 ARG 23 3HD ARG 23 -1.593 5.300 -6.608 170 HE ARG 23 HE ARG 23 -4.260 4.612 -6.524 171 HH11 ARG 23 1HH1 ARG 23 -2.293 6.953 -8.189 172 HH12 ARG 23 2HH1 ARG 23 -3.310 7.002 -9.592 173 HH21 ARG 23 1HH2 ARG 23 -5.606 4.667 -8.364 174 HH22 ARG 23 2HH2 ARG 23 -5.193 5.703 -9.690 175 H GLY 24 HN GLY 24 -3.611 4.176 -0.397 176 HA2 GLY 24 1HA GLY 24 -6.544 4.527 -0.308 177 HA3 GLY 24 2HA GLY 24 -5.732 3.020 0.089 178 H CYS 25 HN CYS 25 -3.683 3.903 1.706 179 HA CYS 25 HA CYS 25 -5.190 4.891 4.030 180 HB2 CYS 25 2HB CYS 25 -3.172 3.876 5.290 181 HB3 CYS 25 3HB CYS 25 -4.358 2.779 4.593 182 H ASN 26 HN ASN 26 -2.608 5.605 1.887 183 HA ASN 26 HA ASN 26 -1.392 7.527 1.638 184 HB2 ASN 26 2HB ASN 26 -2.430 8.539 4.277 185 HB3 ASN 26 3HB ASN 26 -1.881 9.467 2.884 186 HD21 ASN 26 1HD2 ASN 26 -3.286 9.940 1.269 187 HD22 ASN 26 2HD2 ASN 26 -4.967 9.544 1.311 188 H HIS 27 HN HIS 27 -0.590 5.113 3.147 189 HA HIS 27 HA HIS 27 1.506 6.297 4.847 190 HB2 HIS 27 2HB HIS 27 0.328 3.512 4.944 191 HB3 HIS 27 3HB HIS 27 1.632 4.100 5.972 192 HD1 HIS 27 1HD HIS 27 0.496 6.808 6.820 193 HD2 HIS 27 2HD HIS 27 -1.733 3.304 6.700 194 HE1 HIS 27 1HE HIS 27 -1.420 7.175 8.407 195 H LEU 28 HN LEU 28 3.589 5.140 4.848 196 HA LEU 28 HA LEU 28 4.474 4.688 2.164 197 HB2 LEU 28 2HB LEU 28 5.807 4.604 4.850 198 HB3 LEU 28 3HB LEU 28 6.656 4.106 3.388 199 HG LEU 28 HG LEU 28 5.471 6.845 3.835 200 HD11 LEU 28 1HD1 LEU 28 7.936 5.666 4.761 201 HD12 LEU 28 2HD1 LEU 28 7.241 7.247 5.113 202 HD13 LEU 28 3HD1 LEU 28 8.241 7.025 3.678 203 HD21 LEU 28 1HD2 LEU 28 5.612 6.794 1.578 204 HD22 LEU 28 2HD2 LEU 28 6.800 5.490 1.570 205 HD23 LEU 28 3HD2 LEU 28 7.309 7.145 1.907 206 H VAL 29 HN VAL 29 5.279 2.801 1.250 207 HA VAL 29 HA VAL 29 5.125 0.308 2.734 208 HB VAL 29 HB VAL 29 3.784 -0.124 0.225 209 HG11 VAL 29 1HG1 VAL 29 3.871 -1.318 2.624 210 HG12 VAL 29 2HG1 VAL 29 2.349 -0.438 2.786 211 HG13 VAL 29 3HG1 VAL 29 2.573 -1.580 1.460 212 HG21 VAL 29 1HG2 VAL 29 2.978 2.136 0.386 213 HG22 VAL 29 2HG2 VAL 29 1.661 1.035 0.795 214 HG23 VAL 29 3HG2 VAL 29 2.519 1.897 2.072 215 H CYS 30 HN CYS 30 6.943 -0.720 2.271 216 HA CYS 30 HA CYS 30 8.772 -0.068 0.323 217 HB2 CYS 30 2HB CYS 30 9.764 -2.293 0.698 218 HB3 CYS 30 3HB CYS 30 9.319 -1.515 2.213 219 H ARG 31 HN ARG 31 9.537 -1.825 -1.371 220 HA ARG 31 HA ARG 31 7.401 -1.977 -3.310 221 HB2 ARG 31 2HB ARG 31 9.324 -3.023 -4.707 222 HB3 ARG 31 3HB ARG 31 9.390 -1.311 -4.305 223 HG2 ARG 31 2HG ARG 31 11.166 -1.561 -2.916 224 HG3 ARG 31 3HG ARG 31 10.696 -3.191 -2.429 225 HD2 ARG 31 2HD ARG 31 11.749 -4.172 -4.199 226 HD3 ARG 31 3HD ARG 31 11.518 -2.776 -5.250 227 HE ARG 31 HE ARG 31 13.805 -3.343 -3.708 228 HH11 ARG 31 1HH1 ARG 31 11.756 -0.687 -4.638 229 HH12 ARG 31 2HH1 ARG 31 13.012 0.499 -4.505 230 HH21 ARG 31 1HH2 ARG 31 15.468 -1.791 -3.529 231 HH22 ARG 31 2HH2 ARG 31 15.122 -0.129 -3.875 232 H ASP 32 HN ASP 32 7.601 -3.752 -0.829 233 HA ASP 32 HA ASP 32 7.209 -6.302 -2.250 234 HB2 ASP 32 2HB ASP 32 9.314 -6.315 -0.934 235 HB3 ASP 32 3HB ASP 32 8.379 -5.976 0.521 236 H CYS 33 HN CYS 33 5.856 -3.909 -0.363 237 HA CYS 33 HA CYS 33 3.833 -5.722 0.763 238 HB2 CYS 33 2HB CYS 33 4.679 -2.928 1.523 239 HB3 CYS 33 3HB CYS 33 3.201 -3.664 2.132 240 H ARG 34 HN ARG 34 4.240 -4.234 -1.993 241 HA ARG 34 HA ARG 34 1.618 -2.937 -2.134 242 HB2 ARG 34 2HB ARG 34 3.497 -3.046 -4.455 243 HB3 ARG 34 3HB ARG 34 2.365 -1.782 -3.992 244 HG2 ARG 34 2HG ARG 34 3.805 -0.929 -2.358 245 HG3 ARG 34 3HG ARG 34 4.799 -2.388 -2.353 246 HD2 ARG 34 2HD ARG 34 5.716 -1.873 -4.481 247 HD3 ARG 34 3HD ARG 34 4.535 -0.592 -4.752 248 HE ARG 34 HE ARG 34 6.068 -0.042 -2.441 249 HH11 ARG 34 1HH1 ARG 34 6.273 -0.077 -5.916 250 HH12 ARG 34 2HH1 ARG 34 7.492 1.153 -5.987 251 HH21 ARG 34 1HH2 ARG 34 7.673 1.577 -2.521 252 HH22 ARG 34 2HH2 ARG 34 8.288 2.092 -4.055 253 H ILE 35 HN ILE 35 -0.060 -3.775 -3.235 254 HA ILE 35 HA ILE 35 0.340 -6.401 -4.489 255 HB ILE 35 HB ILE 35 -1.995 -5.125 -3.127 256 HG12 ILE 35 2HG1 ILE 35 -2.124 -7.434 -2.133 257 HG13 ILE 35 3HG1 ILE 35 -0.660 -7.835 -3.023 258 HG21 ILE 35 1HG2 ILE 35 -3.227 -5.734 -4.943 259 HG22 ILE 35 2HG2 ILE 35 -2.099 -7.001 -5.422 260 HG23 ILE 35 3HG2 ILE 35 -3.215 -7.275 -4.084 261 HD11 ILE 35 1HD1 ILE 35 -0.364 -7.198 -0.607 262 HD12 ILE 35 2HD1 ILE 35 0.631 -6.319 -1.769 263 HD13 ILE 35 3HD1 ILE 35 -0.801 -5.555 -1.079 264 H GLN 36 HN GLN 36 0.695 -6.171 -6.611 265 HA GLN 36 HA GLN 36 0.020 -4.096 -8.267 266 HB2 GLN 36 2HB GLN 36 0.633 -6.964 -8.680 267 HB3 GLN 36 3HB GLN 36 -0.134 -6.131 -10.025 268 HG2 GLN 36 2HG GLN 36 2.194 -4.826 -8.733 269 HG3 GLN 36 3HG GLN 36 2.489 -6.239 -9.747 270 HE21 GLN 36 1HE2 GLN 36 0.982 -3.054 -9.706 271 HE22 GLN 36 2HE2 GLN 36 1.172 -2.742 -11.394 272 H GLU 37 HN GLU 37 -1.887 -3.210 -8.678 273 HA GLU 37 HA GLU 37 -4.318 -4.786 -8.456 274 HB2 GLU 37 2HB GLU 37 -3.883 -1.838 -8.958 275 HB3 GLU 37 3HB GLU 37 -5.459 -2.597 -8.785 276 HG2 GLU 37 2HG GLU 37 -3.456 -2.965 -6.620 277 HG3 GLU 37 3HG GLU 37 -4.282 -1.414 -6.763 278 H SER 38 HN SER 38 -2.245 -3.501 -10.892 279 HA SER 38 HA SER 38 -2.209 -3.915 -13.147 280 HB2 SER 38 2HB SER 38 -3.886 -5.902 -12.270 281 HB3 SER 38 3HB SER 38 -4.920 -5.026 -13.397 282 HG SER 38 HG SER 38 -3.820 -6.514 -14.593 283 H ASN 39 HN ASN 39 -5.389 -2.949 -11.894 284 HA ASN 39 HA ASN 39 -6.529 -1.652 -13.959 285 HB2 ASN 39 2HB ASN 39 -7.636 -0.205 -12.398 286 HB3 ASN 39 3HB ASN 39 -7.397 -1.757 -11.602 287 HD21 ASN 39 1HD2 ASN 39 -6.964 -1.461 -9.548 288 HD22 ASN 39 2HD2 ASN 39 -5.918 -0.254 -8.888 289 H GLY 40 HN GLY 40 -3.689 -0.602 -12.204 290 HA2 GLY 40 1HA GLY 40 -2.353 0.791 -14.004 291 HA3 GLY 40 2HA GLY 40 -3.631 1.942 -13.644 292 H THR 41 HN THR 41 -3.430 0.579 -10.807 293 HA THR 41 HA THR 41 -1.069 2.082 -9.900 294 HB THR 41 HB THR 41 -3.221 3.354 -9.509 295 HG1 THR 41 1HG THR 41 -1.142 3.280 -8.119 296 HG21 THR 41 1HG2 THR 41 -4.951 2.403 -8.471 297 HG22 THR 41 2HG2 THR 41 -3.933 1.932 -7.110 298 HG23 THR 41 3HG2 THR 41 -4.076 0.874 -8.514 299 H TRP 42 HN TRP 42 -1.624 1.561 -7.125 300 HA TRP 42 HA TRP 42 -1.730 -1.321 -6.840 301 HB2 TRP 42 2HB TRP 42 0.474 -1.461 -5.729 302 HB3 TRP 42 3HB TRP 42 0.612 -0.994 -7.422 303 HD1 TRP 42 1HD TRP 42 1.741 1.299 -7.955 304 HE1 TRP 42 1HE TRP 42 2.868 3.112 -6.516 305 HE3 TRP 42 3HE TRP 42 0.281 -0.313 -3.328 306 HZ2 TRP 42 2HZ TRP 42 3.107 3.770 -3.782 307 HZ3 TRP 42 3HZ TRP 42 1.002 0.964 -1.353 308 HH2 TRP 42 2HH TRP 42 2.386 2.962 -1.577 309 H ARG 43 HN ARG 43 -1.716 -2.000 -4.575 310 HA ARG 43 HA ARG 43 -2.198 0.129 -2.631 311 HB2 ARG 43 2HB ARG 43 -4.176 -1.985 -3.440 312 HB3 ARG 43 3HB ARG 43 -4.219 -1.274 -1.832 313 HG2 ARG 43 2HG ARG 43 -4.054 0.802 -3.795 314 HG3 ARG 43 3HG ARG 43 -5.381 -0.293 -4.187 315 HD2 ARG 43 2HD ARG 43 -5.161 0.453 -1.351 316 HD3 ARG 43 3HD ARG 43 -5.562 1.775 -2.446 317 HE ARG 43 HE ARG 43 -7.298 -0.274 -1.596 318 HH11 ARG 43 1HH1 ARG 43 -6.432 1.539 -4.439 319 HH12 ARG 43 2HH1 ARG 43 -7.995 1.387 -5.172 320 HH21 ARG 43 1HH2 ARG 43 -9.360 -0.482 -2.551 321 HH22 ARG 43 2HH2 ARG 43 -9.659 0.237 -4.097 322 H CYS 44 HN CYS 44 -1.612 -0.381 -0.566 323 HA CYS 44 HA CYS 44 0.266 -2.349 -0.093 324 HB2 CYS 44 2HB CYS 44 0.002 -1.870 2.265 325 HB3 CYS 44 3HB CYS 44 -0.135 -0.368 1.357 326 H LYS 45 HN LYS 45 0.086 -4.154 1.528 327 HA LYS 45 HA LYS 45 -1.818 -6.048 0.615 328 HB2 LYS 45 2HB LYS 45 -0.402 -6.521 3.183 329 HB3 LYS 45 3HB LYS 45 -0.625 -7.593 1.808 330 HG2 LYS 45 2HG LYS 45 0.995 -5.855 0.650 331 HG3 LYS 45 3HG LYS 45 1.485 -5.574 2.321 332 HD2 LYS 45 2HD LYS 45 2.929 -7.262 1.701 333 HD3 LYS 45 3HD LYS 45 1.605 -8.183 2.419 334 HE2 LYS 45 2HE LYS 45 0.703 -8.682 0.250 335 HE3 LYS 45 3HE LYS 45 1.863 -7.606 -0.529 336 HZ1 LYS 45 1HZ LYS 45 3.638 -9.091 0.353 337 HZ2 LYS 45 2HZ LYS 45 2.633 -9.818 -0.797 338 HZ3 LYS 45 3HZ LYS 45 2.433 -10.172 0.846 339 H VAL 46 HN VAL 46 -2.050 -3.567 2.865 340 HA VAL 46 HA VAL 46 -4.017 -4.910 4.546 341 HB VAL 46 HB VAL 46 -3.211 -2.010 4.698 342 HG11 VAL 46 1HG1 VAL 46 -5.224 -2.644 5.925 343 HG12 VAL 46 2HG1 VAL 46 -4.327 -3.921 6.749 344 HG13 VAL 46 3HG1 VAL 46 -3.913 -2.229 7.028 345 HG21 VAL 46 1HG2 VAL 46 -1.316 -3.811 4.818 346 HG22 VAL 46 2HG2 VAL 46 -1.367 -2.494 5.991 347 HG23 VAL 46 3HG2 VAL 46 -1.965 -4.094 6.433 348 H CYS 47 HN CYS 47 -3.859 -2.774 1.838 349 HA CYS 47 HA CYS 47 -6.688 -2.057 2.114 350 HB2 CYS 47 2HB CYS 47 -4.459 -1.000 0.382 351 HB3 CYS 47 3HB CYS 47 -6.144 -0.585 0.088 352 H ALA 48 HN ALA 48 -4.425 -3.610 -0.119 353 HA ALA 48 HA ALA 48 -6.393 -4.235 -2.084 354 HB1 ALA 48 1HB ALA 48 -3.717 -5.557 -1.671 355 HB2 ALA 48 2HB ALA 48 -4.684 -5.541 -3.146 356 HB3 ALA 48 3HB ALA 48 -3.959 -4.047 -2.550 357 H LYS 49 HN LYS 49 -5.065 -5.909 0.706 358 HA LYS 49 HA LYS 49 -6.922 -8.140 0.196 359 HB2 LYS 49 2HB LYS 49 -4.230 -8.044 1.530 360 HB3 LYS 49 3HB LYS 49 -5.359 -9.349 1.871 361 HG2 LYS 49 2HG LYS 49 -5.214 -10.211 -0.265 362 HG3 LYS 49 3HG LYS 49 -4.657 -8.685 -0.955 363 HD2 LYS 49 2HD LYS 49 -2.724 -9.962 -0.947 364 HD3 LYS 49 3HD LYS 49 -2.580 -9.052 0.558 365 HE2 LYS 49 2HE LYS 49 -2.726 -10.900 1.819 366 HE3 LYS 49 3HE LYS 49 -4.030 -11.572 0.842 367 HZ1 LYS 49 1HZ LYS 49 -1.614 -12.629 0.922 368 HZ2 LYS 49 2HZ LYS 49 -1.375 -11.548 -0.357 369 HZ3 LYS 49 3HZ LYS 49 -2.596 -12.715 -0.453 370 H GLU 50 HN GLU 50 -7.726 -9.218 2.213 371 HA GLU 50 HA GLU 50 -8.834 -9.173 4.202 372 HB2 GLU 50 2HB GLU 50 -6.482 -7.749 4.690 373 HB3 GLU 50 3HB GLU 50 -7.762 -6.722 5.320 374 HG2 GLU 50 2HG GLU 50 -8.555 -8.493 6.740 375 HG3 GLU 50 3HG GLU 50 -7.397 -9.620 6.037 376 H ILE 51 HN ILE 51 -10.355 -7.775 5.522 377 HA ILE 51 HA ILE 51 -11.735 -5.944 3.689 378 HB ILE 51 HB ILE 51 -13.593 -6.267 5.527 379 HG12 ILE 51 2HG1 ILE 51 -12.007 -8.830 5.791 380 HG13 ILE 51 3HG1 ILE 51 -12.072 -7.568 7.018 381 HG21 ILE 51 1HG2 ILE 51 -13.029 -7.398 3.031 382 HG22 ILE 51 2HG2 ILE 51 -13.564 -8.731 4.052 383 HG23 ILE 51 3HG2 ILE 51 -14.592 -7.314 3.843 384 HD11 ILE 51 1HD1 ILE 51 -14.729 -8.139 6.465 385 HD12 ILE 51 2HD1 ILE 51 -13.921 -9.708 6.477 386 HD13 ILE 51 3HD1 ILE 51 -13.803 -8.644 7.878 387 H GLU 52 HN GLU 52 -13.063 -4.215 4.909 388 HA GLU 52 HA GLU 52 -11.771 -3.173 7.286 389 HB2 GLU 52 2HB GLU 52 -11.590 -0.886 6.032 390 HB3 GLU 52 3HB GLU 52 -10.305 -2.076 5.881 391 HG2 GLU 52 2HG GLU 52 -10.592 -1.440 3.702 392 HG3 GLU 52 3HG GLU 52 -11.641 -2.854 3.790 393 H LEU 53 HN LEU 53 -12.911 -1.308 8.183 394 HA LEU 53 HA LEU 53 -15.748 -1.622 7.923 395 HB2 LEU 53 2HB LEU 53 -14.186 -0.949 9.977 396 HB3 LEU 53 3HB LEU 53 -14.611 0.669 9.421 397 HG LEU 53 HG LEU 53 -17.063 -0.367 9.543 398 HD11 LEU 53 1HD1 LEU 53 -17.378 -2.085 10.980 399 HD12 LEU 53 2HD1 LEU 53 -15.981 -1.662 11.969 400 HD13 LEU 53 3HD1 LEU 53 -15.753 -2.514 10.442 401 HD21 LEU 53 1HD2 LEU 53 -17.361 1.034 11.294 402 HD22 LEU 53 2HD2 LEU 53 -15.726 1.539 10.866 403 HD23 LEU 53 3HD2 LEU 53 -15.980 0.395 12.186 Start of MODEL 12 1 H1 SER 1 HN SER 1 8.385 13.347 10.720 2 HA SER 1 HA SER 1 7.686 10.497 10.442 3 HB2 SER 1 2HB SER 1 6.326 12.203 9.062 4 HB3 SER 1 3HB SER 1 7.798 12.401 8.111 5 HG SER 1 HG SER 1 6.962 10.755 7.070 6 H ASP 2 HN ASP 2 9.204 9.146 9.610 7 HA ASP 2 HA ASP 2 11.793 10.349 8.874 8 HB2 ASP 2 2HB ASP 2 11.150 7.985 10.604 9 HB3 ASP 2 3HB ASP 2 12.681 8.042 9.734 10 H ARG 3 HN ARG 3 9.199 8.569 7.798 11 HA ARG 3 HA ARG 3 8.835 7.684 5.704 12 HB2 ARG 3 2HB ARG 3 11.785 7.470 5.202 13 HB3 ARG 3 3HB ARG 3 10.479 7.682 4.045 14 HG2 ARG 3 2HG ARG 3 10.533 9.915 5.827 15 HG3 ARG 3 3HG ARG 3 12.144 9.649 5.158 16 HD2 ARG 3 2HD ARG 3 10.661 9.346 2.935 17 HD3 ARG 3 3HD ARG 3 9.643 10.477 3.825 18 HE ARG 3 HE ARG 3 12.240 11.456 3.926 19 HH11 ARG 3 1HH1 ARG 3 9.804 10.795 1.528 20 HH12 ARG 3 2HH1 ARG 3 10.342 12.040 0.450 21 HH21 ARG 3 1HH2 ARG 3 12.957 13.099 2.516 22 HH22 ARG 3 2HH2 ARG 3 12.135 13.351 1.013 23 H THR 4 HN THR 4 8.304 5.990 7.400 24 HA THR 4 HA THR 4 9.986 3.608 6.963 25 HB THR 4 HB THR 4 8.288 3.351 9.285 26 HG1 THR 4 1HG THR 4 8.704 5.153 10.309 27 HG21 THR 4 1HG2 THR 4 11.296 3.396 9.012 28 HG22 THR 4 2HG2 THR 4 10.277 1.980 8.755 29 HG23 THR 4 3HG2 THR 4 10.373 2.720 10.353 30 H CYS 5 HN CYS 5 8.982 1.687 6.468 31 HA CYS 5 HA CYS 5 6.614 1.740 5.024 32 HB2 CYS 5 2HB CYS 5 8.392 -0.047 4.960 33 HB3 CYS 5 3HB CYS 5 7.710 -0.687 6.451 34 H ALA 6 HN ALA 6 4.515 0.935 5.449 35 HA ALA 6 HA ALA 6 3.672 1.365 8.210 36 HB1 ALA 6 1HB ALA 6 2.605 2.264 5.908 37 HB2 ALA 6 2HB ALA 6 1.642 0.806 6.148 38 HB3 ALA 6 3HB ALA 6 1.684 2.050 7.397 39 H ARG 7 HN ARG 7 4.732 -1.193 6.519 40 HA ARG 7 HA ARG 7 2.941 -3.057 7.932 41 HB2 ARG 7 2HB ARG 7 4.370 -3.749 5.375 42 HB3 ARG 7 3HB ARG 7 3.024 -4.586 6.137 43 HG2 ARG 7 2HG ARG 7 2.964 -1.942 4.708 44 HG3 ARG 7 3HG ARG 7 2.194 -3.452 4.221 45 HD2 ARG 7 2HD ARG 7 1.385 -1.474 6.274 46 HD3 ARG 7 3HD ARG 7 0.397 -2.409 5.153 47 HE ARG 7 HE ARG 7 1.266 -4.316 6.802 48 HH11 ARG 7 1HH1 ARG 7 -0.078 -1.170 7.450 49 HH12 ARG 7 2HH1 ARG 7 -0.784 -1.639 8.960 50 HH21 ARG 7 1HH2 ARG 7 0.338 -4.946 8.789 51 HH22 ARG 7 2HH2 ARG 7 -0.546 -3.787 9.721 52 H CYS 8 HN CYS 8 6.205 -2.461 6.714 53 HA CYS 8 HA CYS 8 7.236 -4.595 8.442 54 HB2 CYS 8 2HB CYS 8 8.807 -3.002 6.419 55 HB3 CYS 8 3HB CYS 8 9.231 -4.549 7.143 56 H GLN 9 HN GLN 9 7.025 -1.180 8.153 57 HA GLN 9 HA GLN 9 7.689 0.521 9.512 58 HB2 GLN 9 2HB GLN 9 7.763 -1.843 11.232 59 HB3 GLN 9 3HB GLN 9 8.875 -0.582 11.746 60 HG2 GLN 9 2HG GLN 9 7.208 0.880 12.262 61 HG3 GLN 9 3HG GLN 9 6.095 0.203 11.073 62 HE21 GLN 9 1HE2 GLN 9 5.738 -2.293 11.634 63 HE22 GLN 9 2HE2 GLN 9 5.201 -2.552 13.255 64 H GLU 10 HN GLU 10 9.510 -0.781 7.577 65 HA GLU 10 HA GLU 10 12.129 -0.324 8.797 66 HB2 GLU 10 2HB GLU 10 11.243 -1.584 6.212 67 HB3 GLU 10 3HB GLU 10 12.922 -1.147 6.494 68 HG2 GLU 10 2HG GLU 10 13.153 -2.694 8.235 69 HG3 GLU 10 3HG GLU 10 11.410 -2.898 8.397 70 H SER 11 HN SER 11 13.648 1.120 7.905 71 HA SER 11 HA SER 11 12.684 3.629 7.200 72 HB2 SER 11 2HB SER 11 15.183 3.827 6.268 73 HB3 SER 11 3HB SER 11 14.829 3.789 7.995 74 HG SER 11 HG SER 11 16.482 2.259 6.974 75 H LEU 12 HN LEU 12 12.541 4.767 5.277 76 HA LEU 12 HA LEU 12 12.419 3.093 2.865 77 HB2 LEU 12 2HB LEU 12 10.970 5.565 3.726 78 HB3 LEU 12 3HB LEU 12 11.085 5.149 2.018 79 HG LEU 12 HG LEU 12 9.008 4.443 3.484 80 HD11 LEU 12 1HD1 LEU 12 10.405 3.000 1.279 81 HD12 LEU 12 2HD1 LEU 12 8.892 3.906 1.252 82 HD13 LEU 12 3HD1 LEU 12 8.949 2.305 1.990 83 HD21 LEU 12 1HD2 LEU 12 9.161 2.317 4.485 84 HD22 LEU 12 2HD2 LEU 12 10.552 3.221 5.084 85 HD23 LEU 12 3HD2 LEU 12 10.762 2.022 3.806 86 H GLY 13 HN GLY 13 14.852 4.345 3.995 87 HA2 GLY 13 1HA GLY 13 15.753 6.630 2.840 88 HA3 GLY 13 2HA GLY 13 16.767 5.209 3.035 89 H ARG 14 HN ARG 14 17.223 3.916 1.276 90 HA ARG 14 HA ARG 14 16.865 5.184 -1.296 91 HB2 ARG 14 2HB ARG 14 18.899 3.743 -0.223 92 HB3 ARG 14 3HB ARG 14 18.096 2.504 -1.177 93 HG2 ARG 14 2HG ARG 14 19.196 3.245 -2.946 94 HG3 ARG 14 3HG ARG 14 18.259 4.737 -2.847 95 HD2 ARG 14 2HD ARG 14 20.542 5.371 -2.863 96 HD3 ARG 14 3HD ARG 14 19.977 5.570 -1.205 97 HE ARG 14 HE ARG 14 21.062 3.019 -1.413 98 HH11 ARG 14 1HH1 ARG 14 22.115 6.329 -1.646 99 HH12 ARG 14 2HH1 ARG 14 23.726 5.991 -1.103 100 HH21 ARG 14 1HH2 ARG 14 23.179 2.562 -0.697 101 HH22 ARG 14 2HH2 ARG 14 24.330 3.849 -0.564 102 H LEU 15 HN LEU 15 14.404 4.679 -0.714 103 HA LEU 15 HA LEU 15 13.707 2.340 -2.342 104 HB2 LEU 15 2HB LEU 15 13.454 2.141 0.280 105 HB3 LEU 15 3HB LEU 15 11.966 3.033 -0.031 106 HG LEU 15 HG LEU 15 11.079 1.269 -1.347 107 HD11 LEU 15 1HD1 LEU 15 13.896 0.302 -1.382 108 HD12 LEU 15 2HD1 LEU 15 12.734 0.443 -2.700 109 HD13 LEU 15 3HD1 LEU 15 12.583 -0.867 -1.529 110 HD21 LEU 15 1HD2 LEU 15 11.411 -0.727 0.256 111 HD22 LEU 15 2HD2 LEU 15 10.681 0.752 0.881 112 HD23 LEU 15 3HD2 LEU 15 12.379 0.398 1.207 113 H SER 16 HN SER 16 13.608 5.556 -2.076 114 HA SER 16 HA SER 16 12.352 7.228 -2.973 115 HB2 SER 16 2HB SER 16 11.691 4.863 -4.674 116 HB3 SER 16 3HB SER 16 10.740 6.334 -4.881 117 HG SER 16 HG SER 16 12.498 7.399 -5.559 118 HA PRO 17 HA PRO 17 8.782 6.137 -0.225 119 HB2 PRO 17 2HB PRO 17 9.031 8.333 1.350 120 HB3 PRO 17 3HB PRO 17 9.926 6.837 1.641 121 HG2 PRO 17 2HG PRO 17 10.830 9.357 0.300 122 HG3 PRO 17 3HG PRO 17 11.692 8.340 1.470 123 HD2 PRO 17 2HD PRO 17 12.174 8.225 -1.192 124 HD3 PRO 17 3HD PRO 17 12.319 6.808 -0.133 125 H LYS 18 HN LYS 18 9.535 8.410 -2.533 126 HA LYS 18 HA LYS 18 7.319 10.201 -2.148 127 HB2 LYS 18 2HB LYS 18 9.626 10.526 -3.422 128 HB3 LYS 18 3HB LYS 18 8.683 9.942 -4.787 129 HG2 LYS 18 2HG LYS 18 7.234 11.971 -3.354 130 HG3 LYS 18 3HG LYS 18 8.834 12.552 -3.821 131 HD2 LYS 18 2HD LYS 18 8.423 12.202 -6.098 132 HD3 LYS 18 3HD LYS 18 7.059 11.129 -5.779 133 HE2 LYS 18 2HE LYS 18 5.977 13.208 -4.695 134 HE3 LYS 18 3HE LYS 18 7.201 14.117 -5.579 135 HZ1 LYS 18 1HZ LYS 18 6.356 13.377 -7.624 136 HZ2 LYS 18 2HZ LYS 18 4.993 13.809 -6.721 137 HZ3 LYS 18 3HZ LYS 18 5.402 12.178 -6.909 138 H THR 19 HN THR 19 7.916 7.243 -3.883 139 HA THR 19 HA THR 19 5.179 7.368 -4.974 140 HB THR 19 HB THR 19 5.832 6.073 -6.853 141 HG1 THR 19 1HG THR 19 8.330 5.751 -5.519 142 HG21 THR 19 1HG2 THR 19 8.283 7.650 -6.921 143 HG22 THR 19 2HG2 THR 19 6.883 8.578 -6.384 144 HG23 THR 19 3HG2 THR 19 6.848 7.749 -7.939 145 H ASN 20 HN ASN 20 6.259 6.326 -2.367 146 HA ASN 20 HA ASN 20 5.337 3.540 -2.644 147 HB2 ASN 20 2HB ASN 20 7.310 4.719 -0.677 148 HB3 ASN 20 3HB ASN 20 6.674 3.080 -0.575 149 HD21 ASN 20 1HD2 ASN 20 9.130 2.837 -0.658 150 HD22 ASN 20 2HD2 ASN 20 9.806 2.567 -2.225 151 H THR 21 HN THR 21 3.910 6.163 -2.080 152 HA THR 21 HA THR 21 2.845 5.612 0.594 153 HB THR 21 HB THR 21 2.144 7.951 -1.180 154 HG1 THR 21 1HG THR 21 3.767 9.080 -0.045 155 HG21 THR 21 1HG2 THR 21 1.873 7.409 1.775 156 HG22 THR 21 2HG2 THR 21 0.578 7.657 0.605 157 HG23 THR 21 3HG2 THR 21 1.637 8.996 1.045 158 H CYS 22 HN CYS 22 1.478 3.892 0.323 159 HA CYS 22 HA CYS 22 -0.148 3.152 -1.682 160 HB2 CYS 22 2HB CYS 22 -0.021 1.941 0.442 161 HB3 CYS 22 3HB CYS 22 -0.930 3.220 1.240 162 H ARG 23 HN ARG 23 -1.889 3.874 -2.747 163 HA ARG 23 HA ARG 23 -2.899 6.512 -2.102 164 HB2 ARG 23 2HB ARG 23 -4.212 5.086 -4.294 165 HB3 ARG 23 3HB ARG 23 -3.430 6.661 -4.284 166 HG2 ARG 23 2HG ARG 23 -1.233 5.270 -4.232 167 HG3 ARG 23 3HG ARG 23 -2.266 3.973 -4.838 168 HD2 ARG 23 2HD ARG 23 -2.906 5.303 -6.738 169 HD3 ARG 23 3HD ARG 23 -2.048 6.704 -6.097 170 HE ARG 23 HE ARG 23 -0.926 4.515 -7.556 171 HH11 ARG 23 1HH1 ARG 23 -0.266 6.932 -5.139 172 HH12 ARG 23 2HH1 ARG 23 1.440 6.958 -5.443 173 HH21 ARG 23 1HH2 ARG 23 1.318 4.541 -7.967 174 HH22 ARG 23 2HH2 ARG 23 2.340 5.599 -7.053 175 H GLY 24 HN GLY 24 -3.524 4.041 -0.466 176 HA2 GLY 24 1HA GLY 24 -6.467 4.274 -0.603 177 HA3 GLY 24 2HA GLY 24 -5.649 2.775 -0.187 178 H CYS 25 HN CYS 25 -3.659 3.930 1.506 179 HA CYS 25 HA CYS 25 -5.350 4.782 3.766 180 HB2 CYS 25 2HB CYS 25 -3.491 3.725 5.178 181 HB3 CYS 25 3HB CYS 25 -4.567 2.629 4.319 182 H ASN 26 HN ASN 26 -2.780 5.605 1.726 183 HA ASN 26 HA ASN 26 -1.534 7.516 1.590 184 HB2 ASN 26 2HB ASN 26 -2.322 8.583 4.236 185 HB3 ASN 26 3HB ASN 26 -2.248 9.390 2.672 186 HD21 ASN 26 1HD2 ASN 26 -3.897 7.928 1.129 187 HD22 ASN 26 2HD2 ASN 26 -5.512 7.985 1.742 188 H HIS 27 HN HIS 27 -0.879 5.016 3.179 189 HA HIS 27 HA HIS 27 1.229 6.117 4.908 190 HB2 HIS 27 2HB HIS 27 0.101 3.311 4.803 191 HB3 HIS 27 3HB HIS 27 1.338 3.877 5.921 192 HD1 HIS 27 1HD HIS 27 0.085 6.504 6.855 193 HD2 HIS 27 2HD HIS 27 -2.033 2.953 6.445 194 HE1 HIS 27 1HE HIS 27 -1.912 6.734 8.366 195 H LEU 28 HN LEU 28 3.345 5.113 4.842 196 HA LEU 28 HA LEU 28 4.246 4.725 2.153 197 HB2 LEU 28 2HB LEU 28 5.573 4.730 4.839 198 HB3 LEU 28 3HB LEU 28 6.456 4.234 3.397 199 HG LEU 28 HG LEU 28 5.212 6.940 3.880 200 HD11 LEU 28 1HD1 LEU 28 8.127 6.405 3.514 201 HD12 LEU 28 2HD1 LEU 28 7.382 6.180 5.097 202 HD13 LEU 28 3HD1 LEU 28 7.323 7.759 4.310 203 HD21 LEU 28 1HD2 LEU 28 6.935 7.150 1.754 204 HD22 LEU 28 2HD2 LEU 28 5.176 7.065 1.650 205 HD23 LEU 28 3HD2 LEU 28 6.143 5.601 1.464 206 H VAL 29 HN VAL 29 5.214 2.887 1.256 207 HA VAL 29 HA VAL 29 5.171 0.386 2.720 208 HB VAL 29 HB VAL 29 3.867 -0.111 0.204 209 HG11 VAL 29 1HG1 VAL 29 2.805 -1.671 1.423 210 HG12 VAL 29 2HG1 VAL 29 3.995 -1.256 2.660 211 HG13 VAL 29 3HG1 VAL 29 2.385 -0.533 2.704 212 HG21 VAL 29 1HG2 VAL 29 1.703 0.938 0.698 213 HG22 VAL 29 2HG2 VAL 29 2.429 1.775 2.071 214 HG23 VAL 29 3HG2 VAL 29 2.966 2.138 0.431 215 H CYS 30 HN CYS 30 7.026 -0.573 2.248 216 HA CYS 30 HA CYS 30 8.841 0.194 0.331 217 HB2 CYS 30 2HB CYS 30 9.922 -1.998 0.671 218 HB3 CYS 30 3HB CYS 30 9.439 -1.259 2.195 219 H ARG 31 HN ARG 31 9.691 -1.631 -1.328 220 HA ARG 31 HA ARG 31 7.597 -1.779 -3.325 221 HB2 ARG 31 2HB ARG 31 10.447 -2.734 -3.592 222 HB3 ARG 31 3HB ARG 31 9.328 -2.312 -4.882 223 HG2 ARG 31 2HG ARG 31 9.487 -0.012 -3.347 224 HG3 ARG 31 3HG ARG 31 11.138 -0.634 -3.378 225 HD2 ARG 31 2HD ARG 31 9.447 -0.314 -5.848 226 HD3 ARG 31 3HD ARG 31 10.518 0.950 -5.243 227 HE ARG 31 HE ARG 31 11.956 -1.456 -5.509 228 HH11 ARG 31 1HH1 ARG 31 10.472 1.033 -7.438 229 HH12 ARG 31 2HH1 ARG 31 11.556 0.825 -8.774 230 HH21 ARG 31 1HH2 ARG 31 13.389 -1.740 -7.262 231 HH22 ARG 31 2HH2 ARG 31 13.213 -0.752 -8.673 232 H ASP 32 HN ASP 32 7.816 -3.568 -0.843 233 HA ASP 32 HA ASP 32 7.475 -6.112 -2.288 234 HB2 ASP 32 2HB ASP 32 9.576 -5.836 -0.765 235 HB3 ASP 32 3HB ASP 32 8.429 -6.044 0.555 236 H CYS 33 HN CYS 33 6.103 -3.768 -0.329 237 HA CYS 33 HA CYS 33 4.101 -5.625 0.758 238 HB2 CYS 33 2HB CYS 33 4.904 -2.826 1.544 239 HB3 CYS 33 3HB CYS 33 3.431 -3.584 2.141 240 H ARG 34 HN ARG 34 4.546 -3.868 -1.920 241 HA ARG 34 HA ARG 34 1.832 -2.784 -2.066 242 HB2 ARG 34 2HB ARG 34 3.570 -2.514 -4.422 243 HB3 ARG 34 3HB ARG 34 2.605 -1.304 -3.587 244 HG2 ARG 34 2HG ARG 34 4.337 -1.156 -1.845 245 HG3 ARG 34 3HG ARG 34 5.313 -2.316 -2.749 246 HD2 ARG 34 2HD ARG 34 4.330 0.232 -3.995 247 HD3 ARG 34 3HD ARG 34 5.820 0.178 -3.053 248 HE ARG 34 HE ARG 34 6.065 -1.847 -4.878 249 HH11 ARG 34 1HH1 ARG 34 5.507 1.585 -5.037 250 HH12 ARG 34 2HH1 ARG 34 6.294 1.774 -6.569 251 HH21 ARG 34 1HH2 ARG 34 7.103 -1.612 -6.895 252 HH22 ARG 34 2HH2 ARG 34 7.201 -0.045 -7.625 253 H ILE 35 HN ILE 35 0.255 -3.672 -3.265 254 HA ILE 35 HA ILE 35 0.918 -6.114 -4.763 255 HB ILE 35 HB ILE 35 -1.575 -5.226 -3.349 256 HG12 ILE 35 2HG1 ILE 35 -1.399 -7.461 -2.336 257 HG13 ILE 35 3HG1 ILE 35 0.006 -7.808 -3.338 258 HG21 ILE 35 1HG2 ILE 35 -1.358 -7.292 -5.527 259 HG22 ILE 35 2HG2 ILE 35 -2.685 -7.240 -4.367 260 HG23 ILE 35 3HG2 ILE 35 -2.422 -5.887 -5.466 261 HD11 ILE 35 1HD1 ILE 35 1.317 -6.200 -2.195 262 HD12 ILE 35 2HD1 ILE 35 -0.093 -5.552 -1.357 263 HD13 ILE 35 3HD1 ILE 35 0.497 -7.169 -0.972 264 H GLN 36 HN GLN 36 0.780 -6.091 -6.904 265 HA GLN 36 HA GLN 36 0.093 -3.797 -8.371 266 HB2 GLN 36 2HB GLN 36 0.475 -6.675 -9.175 267 HB3 GLN 36 3HB GLN 36 0.112 -5.414 -10.345 268 HG2 GLN 36 2HG GLN 36 2.569 -6.107 -9.911 269 HG3 GLN 36 3HG GLN 36 2.157 -4.403 -10.101 270 HE21 GLN 36 1HE2 GLN 36 2.034 -3.091 -8.223 271 HE22 GLN 36 2HE2 GLN 36 2.898 -3.518 -6.790 272 H GLU 37 HN GLU 37 -1.823 -2.992 -8.886 273 HA GLU 37 HA GLU 37 -4.183 -4.726 -8.678 274 HB2 GLU 37 2HB GLU 37 -3.958 -1.712 -8.675 275 HB3 GLU 37 3HB GLU 37 -5.467 -2.607 -8.557 276 HG2 GLU 37 2HG GLU 37 -3.436 -3.357 -6.582 277 HG3 GLU 37 3HG GLU 37 -4.032 -1.704 -6.447 278 H SER 38 HN SER 38 -5.934 -4.381 -10.243 279 HA SER 38 HA SER 38 -4.830 -4.101 -12.935 280 HB2 SER 38 2HB SER 38 -7.172 -5.512 -11.752 281 HB3 SER 38 3HB SER 38 -7.308 -4.967 -13.424 282 HG SER 38 HG SER 38 -5.582 -6.227 -13.974 283 H ASN 39 HN ASN 39 -4.708 -1.779 -12.842 284 HA ASN 39 HA ASN 39 -6.931 -0.506 -14.024 285 HB2 ASN 39 2HB ASN 39 -6.799 -0.430 -11.117 286 HB3 ASN 39 3HB ASN 39 -6.770 1.185 -11.818 287 HD21 ASN 39 1HD2 ASN 39 -8.863 0.468 -10.281 288 HD22 ASN 39 2HD2 ASN 39 -10.278 0.250 -11.248 289 H GLY 40 HN GLY 40 -3.892 -0.223 -12.289 290 HA2 GLY 40 1HA GLY 40 -2.189 0.859 -13.883 291 HA3 GLY 40 2HA GLY 40 -3.278 2.235 -13.791 292 H THR 41 HN THR 41 -3.444 0.818 -10.849 293 HA THR 41 HA THR 41 -1.175 2.368 -9.784 294 HB THR 41 HB THR 41 -3.390 3.501 -9.414 295 HG1 THR 41 1HG THR 41 -2.881 3.282 -6.883 296 HG21 THR 41 1HG2 THR 41 -3.867 1.050 -7.717 297 HG22 THR 41 2HG2 THR 41 -4.834 1.614 -9.080 298 HG23 THR 41 3HG2 THR 41 -4.798 2.541 -7.581 299 H TRP 42 HN TRP 42 -1.767 1.687 -7.063 300 HA TRP 42 HA TRP 42 -1.754 -1.197 -6.879 301 HB2 TRP 42 2HB TRP 42 0.463 -1.312 -5.789 302 HB3 TRP 42 3HB TRP 42 0.572 -0.794 -7.469 303 HD1 TRP 42 1HD TRP 42 1.503 1.628 -7.946 304 HE1 TRP 42 1HE TRP 42 2.648 3.395 -6.467 305 HE3 TRP 42 3HE TRP 42 0.450 -0.355 -3.353 306 HZ2 TRP 42 2HZ TRP 42 3.052 3.883 -3.717 307 HZ3 TRP 42 3HZ TRP 42 1.253 0.823 -1.349 308 HH2 TRP 42 2HH TRP 42 2.527 2.898 -1.528 309 H ARG 43 HN ARG 43 -1.631 -1.939 -4.614 310 HA ARG 43 HA ARG 43 -2.155 0.103 -2.599 311 HB2 ARG 43 2HB ARG 43 -4.126 -1.982 -3.488 312 HB3 ARG 43 3HB ARG 43 -4.151 -1.371 -1.839 313 HG2 ARG 43 2HG ARG 43 -4.079 0.693 -3.924 314 HG3 ARG 43 3HG ARG 43 -5.539 -0.298 -3.891 315 HD2 ARG 43 2HD ARG 43 -4.850 0.409 -1.218 316 HD3 ARG 43 3HD ARG 43 -4.842 1.868 -2.207 317 HE ARG 43 HE ARG 43 -7.118 0.467 -1.324 318 HH11 ARG 43 1HH1 ARG 43 -5.856 2.062 -4.150 319 HH12 ARG 43 2HH1 ARG 43 -7.419 2.486 -4.768 320 HH21 ARG 43 1HH2 ARG 43 -9.180 1.020 -2.127 321 HH22 ARG 43 2HH2 ARG 43 -9.308 1.893 -3.616 322 H CYS 44 HN CYS 44 -1.423 -0.442 -0.615 323 HA CYS 44 HA CYS 44 0.446 -2.394 -0.211 324 HB2 CYS 44 2HB CYS 44 0.189 -2.034 2.161 325 HB3 CYS 44 3HB CYS 44 -0.039 -0.495 1.335 326 H LYS 45 HN LYS 45 0.290 -4.254 1.394 327 HA LYS 45 HA LYS 45 -1.524 -6.181 0.355 328 HB2 LYS 45 2HB LYS 45 -0.175 -6.749 2.927 329 HB3 LYS 45 3HB LYS 45 -0.267 -7.721 1.465 330 HG2 LYS 45 2HG LYS 45 1.333 -5.949 0.472 331 HG3 LYS 45 3HG LYS 45 1.643 -5.532 2.159 332 HD2 LYS 45 2HD LYS 45 3.275 -7.105 1.822 333 HD3 LYS 45 3HD LYS 45 1.961 -8.137 2.394 334 HE2 LYS 45 2HE LYS 45 1.402 -8.771 0.151 335 HE3 LYS 45 3HE LYS 45 2.537 -7.598 -0.515 336 HZ1 LYS 45 1HZ LYS 45 3.345 -9.936 -0.490 337 HZ2 LYS 45 2HZ LYS 45 3.356 -9.874 1.200 338 HZ3 LYS 45 3HZ LYS 45 4.361 -8.845 0.309 339 H VAL 46 HN VAL 46 -1.917 -3.783 2.649 340 HA VAL 46 HA VAL 46 -3.872 -5.265 4.236 341 HB VAL 46 HB VAL 46 -3.159 -2.360 4.575 342 HG11 VAL 46 1HG1 VAL 46 -4.332 -2.442 6.491 343 HG12 VAL 46 2HG1 VAL 46 -5.104 -3.845 5.746 344 HG13 VAL 46 3HG1 VAL 46 -3.774 -4.068 6.883 345 HG21 VAL 46 1HG2 VAL 46 -1.114 -3.807 4.576 346 HG22 VAL 46 2HG2 VAL 46 -1.411 -2.952 6.089 347 HG23 VAL 46 3HG2 VAL 46 -1.798 -4.666 5.956 348 H CYS 47 HN CYS 47 -3.705 -3.083 1.596 349 HA CYS 47 HA CYS 47 -6.557 -2.421 1.848 350 HB2 CYS 47 2HB CYS 47 -4.328 -1.187 0.230 351 HB3 CYS 47 3HB CYS 47 -6.022 -0.781 -0.023 352 H ALA 48 HN ALA 48 -4.175 -3.872 -0.302 353 HA ALA 48 HA ALA 48 -6.010 -4.368 -2.434 354 HB1 ALA 48 1HB ALA 48 -3.372 -5.729 -1.914 355 HB2 ALA 48 2HB ALA 48 -4.239 -5.629 -3.448 356 HB3 ALA 48 3HB ALA 48 -3.549 -4.174 -2.729 357 H LYS 49 HN LYS 49 -4.992 -6.108 0.418 358 HA LYS 49 HA LYS 49 -6.440 -8.504 -0.431 359 HB2 LYS 49 2HB LYS 49 -4.149 -8.664 0.596 360 HB3 LYS 49 3HB LYS 49 -4.847 -8.080 2.102 361 HG2 LYS 49 2HG LYS 49 -5.403 -10.148 2.643 362 HG3 LYS 49 3HG LYS 49 -6.430 -10.251 1.211 363 HD2 LYS 49 2HD LYS 49 -3.511 -10.596 0.818 364 HD3 LYS 49 3HD LYS 49 -4.375 -11.901 1.633 365 HE2 LYS 49 2HE LYS 49 -6.057 -11.536 -0.384 366 HE3 LYS 49 3HE LYS 49 -4.601 -10.914 -1.161 367 HZ1 LYS 49 1HZ LYS 49 -3.670 -13.170 -0.114 368 HZ2 LYS 49 2HZ LYS 49 -4.321 -13.073 -1.673 369 HZ3 LYS 49 3HZ LYS 49 -5.274 -13.632 -0.391 370 H GLU 50 HN GLU 50 -8.508 -8.719 0.083 371 HA GLU 50 HA GLU 50 -10.039 -6.997 1.567 372 HB2 GLU 50 2HB GLU 50 -11.708 -8.801 1.720 373 HB3 GLU 50 3HB GLU 50 -11.015 -8.680 0.108 374 HG2 GLU 50 2HG GLU 50 -9.367 -10.506 1.224 375 HG3 GLU 50 3HG GLU 50 -10.873 -10.857 2.071 376 H ILE 51 HN ILE 51 -9.670 -6.368 3.592 377 HA ILE 51 HA ILE 51 -8.267 -7.713 5.557 378 HB ILE 51 HB ILE 51 -8.865 -5.318 5.673 379 HG12 ILE 51 2HG1 ILE 51 -9.982 -6.519 8.170 380 HG13 ILE 51 3HG1 ILE 51 -8.336 -6.933 7.704 381 HG21 ILE 51 1HG2 ILE 51 -10.965 -4.595 5.600 382 HG22 ILE 51 2HG2 ILE 51 -11.467 -6.261 5.321 383 HG23 ILE 51 3HG2 ILE 51 -11.422 -5.617 6.962 384 HD11 ILE 51 1HD1 ILE 51 -8.116 -5.124 9.156 385 HD12 ILE 51 2HD1 ILE 51 -7.935 -4.423 7.548 386 HD13 ILE 51 3HD1 ILE 51 -9.459 -4.252 8.418 387 H GLU 52 HN GLU 52 -8.778 -9.081 7.223 388 HA GLU 52 HA GLU 52 -11.218 -10.622 6.886 389 HB2 GLU 52 2HB GLU 52 -9.759 -12.244 7.387 390 HB3 GLU 52 3HB GLU 52 -8.571 -11.090 7.977 391 HG2 GLU 52 2HG GLU 52 -9.565 -11.078 10.152 392 HG3 GLU 52 3HG GLU 52 -10.917 -12.059 9.588 393 H LEU 53 HN LEU 53 -9.633 -8.672 9.383 394 HA LEU 53 HA LEU 53 -11.474 -9.062 11.442 395 HB2 LEU 53 2HB LEU 53 -9.179 -7.593 11.085 396 HB3 LEU 53 3HB LEU 53 -10.409 -6.348 11.293 397 HG LEU 53 HG LEU 53 -9.458 -6.755 13.425 398 HD11 LEU 53 1HD1 LEU 53 -12.129 -8.104 13.114 399 HD12 LEU 53 2HD1 LEU 53 -11.801 -6.435 13.580 400 HD13 LEU 53 3HD1 LEU 53 -11.394 -7.753 14.678 401 HD21 LEU 53 1HD2 LEU 53 -8.779 -8.747 14.233 402 HD22 LEU 53 2HD2 LEU 53 -8.810 -9.213 12.531 403 HD23 LEU 53 3HD2 LEU 53 -10.171 -9.610 13.581 Start of MODEL 13 1 H1 SER 1 HN SER 1 9.454 9.829 12.592 2 HA SER 1 HA SER 1 7.803 9.830 10.402 3 HB2 SER 1 2HB SER 1 8.524 12.680 11.120 4 HB3 SER 1 3HB SER 1 7.607 12.144 9.712 5 HG SER 1 HG SER 1 6.099 12.757 11.169 6 H ASP 2 HN ASP 2 9.794 8.527 10.153 7 HA ASP 2 HA ASP 2 12.002 10.142 9.057 8 HB2 ASP 2 2HB ASP 2 11.977 7.664 10.702 9 HB3 ASP 2 3HB ASP 2 13.218 7.793 9.459 10 H ARG 3 HN ARG 3 9.427 8.394 8.139 11 HA ARG 3 HA ARG 3 8.813 7.691 6.037 12 HB2 ARG 3 2HB ARG 3 11.684 7.603 5.163 13 HB3 ARG 3 3HB ARG 3 10.241 7.874 4.194 14 HG2 ARG 3 2HG ARG 3 10.317 9.972 6.045 15 HG3 ARG 3 3HG ARG 3 11.971 9.777 5.458 16 HD2 ARG 3 2HD ARG 3 10.830 9.664 3.119 17 HD3 ARG 3 3HD ARG 3 9.484 10.450 3.943 18 HE ARG 3 HE ARG 3 11.911 11.665 3.125 19 HH11 ARG 3 1HH1 ARG 3 9.530 11.695 5.664 20 HH12 ARG 3 2HH1 ARG 3 9.820 13.348 6.095 21 HH21 ARG 3 1HH2 ARG 3 12.303 13.841 3.684 22 HH22 ARG 3 2HH2 ARG 3 11.397 14.568 4.968 23 H THR 4 HN THR 4 8.411 5.804 7.460 24 HA THR 4 HA THR 4 10.077 3.521 6.625 25 HB THR 4 HB THR 4 8.689 3.034 9.126 26 HG1 THR 4 1HG THR 4 10.719 5.030 9.201 27 HG21 THR 4 1HG2 THR 4 10.424 1.571 8.449 28 HG22 THR 4 2HG2 THR 4 11.070 2.480 9.816 29 HG23 THR 4 3HG2 THR 4 11.542 2.904 8.171 30 H CYS 5 HN CYS 5 9.016 1.611 6.135 31 HA CYS 5 HA CYS 5 6.554 1.717 4.924 32 HB2 CYS 5 2HB CYS 5 8.273 -0.130 4.756 33 HB3 CYS 5 3HB CYS 5 7.641 -0.755 6.276 34 H ALA 6 HN ALA 6 4.461 1.483 5.518 35 HA ALA 6 HA ALA 6 3.877 1.615 8.365 36 HB1 ALA 6 1HB ALA 6 2.685 2.654 6.004 37 HB2 ALA 6 2HB ALA 6 1.497 1.645 6.828 38 HB3 ALA 6 3HB ALA 6 2.267 2.979 7.686 39 H ARG 7 HN ARG 7 4.722 -0.899 6.884 40 HA ARG 7 HA ARG 7 2.552 -2.590 7.916 41 HB2 ARG 7 2HB ARG 7 4.053 -3.322 5.414 42 HB3 ARG 7 3HB ARG 7 2.548 -3.995 6.027 43 HG2 ARG 7 2HG ARG 7 2.861 -1.185 4.993 44 HG3 ARG 7 3HG ARG 7 2.263 -2.546 4.042 45 HD2 ARG 7 2HD ARG 7 0.273 -2.629 5.158 46 HD3 ARG 7 3HD ARG 7 0.964 -2.005 6.655 47 HE ARG 7 HE ARG 7 0.833 -0.107 4.478 48 HH11 ARG 7 1HH1 ARG 7 -0.745 -1.434 7.283 49 HH12 ARG 7 2HH1 ARG 7 -1.754 -0.047 7.533 50 HH21 ARG 7 1HH2 ARG 7 -0.490 1.724 4.796 51 HH22 ARG 7 2HH2 ARG 7 -1.609 1.747 6.117 52 H CYS 8 HN CYS 8 5.911 -2.540 6.746 53 HA CYS 8 HA CYS 8 6.538 -4.721 8.613 54 HB2 CYS 8 2HB CYS 8 8.634 -4.960 7.292 55 HB3 CYS 8 3HB CYS 8 7.179 -5.201 6.329 56 H GLN 9 HN GLN 9 7.060 -1.377 7.974 57 HA GLN 9 HA GLN 9 8.004 0.251 9.269 58 HB2 GLN 9 2HB GLN 9 7.565 -1.791 11.090 59 HB3 GLN 9 3HB GLN 9 9.275 -1.429 11.283 60 HG2 GLN 9 2HG GLN 9 7.491 0.905 11.175 61 HG3 GLN 9 3HG GLN 9 7.296 -0.145 12.578 62 HE21 GLN 9 1HE2 GLN 9 9.162 2.273 11.104 63 HE22 GLN 9 2HE2 GLN 9 10.423 2.355 12.282 64 H GLU 10 HN GLU 10 9.355 -0.676 7.093 65 HA GLU 10 HA GLU 10 12.151 -0.912 7.972 66 HB2 GLU 10 2HB GLU 10 10.631 -1.982 5.700 67 HB3 GLU 10 3HB GLU 10 12.196 -1.312 5.262 68 HG2 GLU 10 2HG GLU 10 12.297 -3.022 7.616 69 HG3 GLU 10 3HG GLU 10 11.729 -3.853 6.169 70 H SER 11 HN SER 11 13.771 0.343 6.883 71 HA SER 11 HA SER 11 13.083 3.065 6.620 72 HB2 SER 11 2HB SER 11 15.310 2.401 7.338 73 HB3 SER 11 3HB SER 11 15.600 1.600 5.794 74 HG SER 11 HG SER 11 16.286 3.455 5.116 75 H LEU 12 HN LEU 12 12.781 4.367 4.867 76 HA LEU 12 HA LEU 12 12.320 2.993 2.318 77 HB2 LEU 12 2HB LEU 12 11.298 5.538 3.521 78 HB3 LEU 12 3HB LEU 12 11.205 5.267 1.782 79 HG LEU 12 HG LEU 12 9.173 4.719 3.337 80 HD11 LEU 12 1HD1 LEU 12 8.607 2.802 1.780 81 HD12 LEU 12 2HD1 LEU 12 10.206 3.035 1.073 82 HD13 LEU 12 3HD1 LEU 12 9.021 4.339 1.018 83 HD21 LEU 12 1HD2 LEU 12 9.117 2.601 4.311 84 HD22 LEU 12 2HD2 LEU 12 10.708 3.222 4.749 85 HD23 LEU 12 3HD2 LEU 12 10.547 2.056 3.435 86 H GLY 13 HN GLY 13 14.836 4.399 3.690 87 HA2 GLY 13 1HA GLY 13 15.857 6.490 2.388 88 HA3 GLY 13 2HA GLY 13 16.827 5.053 2.672 89 H ARG 14 HN ARG 14 17.147 3.566 0.995 90 HA ARG 14 HA ARG 14 17.117 4.736 -1.622 91 HB2 ARG 14 2HB ARG 14 18.923 3.219 -0.683 92 HB3 ARG 14 3HB ARG 14 17.807 1.883 -0.928 93 HG2 ARG 14 2HG ARG 14 18.009 1.945 -3.198 94 HG3 ARG 14 3HG ARG 14 18.370 3.672 -3.229 95 HD2 ARG 14 2HD ARG 14 20.562 3.287 -3.195 96 HD3 ARG 14 3HD ARG 14 20.410 2.214 -1.803 97 HE ARG 14 HE ARG 14 19.560 0.880 -4.138 98 HH11 ARG 14 1HH1 ARG 14 22.443 2.043 -2.571 99 HH12 ARG 14 2HH1 ARG 14 23.473 0.852 -3.293 100 HH21 ARG 14 1HH2 ARG 14 20.905 -0.694 -5.095 101 HH22 ARG 14 2HH2 ARG 14 22.597 -0.704 -4.729 102 H LEU 15 HN LEU 15 14.534 4.674 -0.921 103 HA LEU 15 HA LEU 15 13.429 2.689 -2.763 104 HB2 LEU 15 2HB LEU 15 13.110 2.610 0.058 105 HB3 LEU 15 3HB LEU 15 11.559 3.056 -0.652 106 HG LEU 15 HG LEU 15 13.160 0.559 -1.202 107 HD11 LEU 15 1HD1 LEU 15 10.561 -0.060 -0.443 108 HD12 LEU 15 2HD1 LEU 15 11.044 1.244 0.642 109 HD13 LEU 15 3HD1 LEU 15 12.018 -0.222 0.536 110 HD21 LEU 15 1HD2 LEU 15 11.969 0.165 -3.047 111 HD22 LEU 15 2HD2 LEU 15 11.570 1.883 -3.016 112 HD23 LEU 15 3HD2 LEU 15 10.468 0.707 -2.298 113 H SER 16 HN SER 16 13.907 5.755 -2.335 114 HA SER 16 HA SER 16 12.800 7.729 -2.720 115 HB2 SER 16 2HB SER 16 12.291 5.844 -4.890 116 HB3 SER 16 3HB SER 16 11.059 7.100 -4.784 117 HG SER 16 HG SER 16 12.637 8.649 -5.004 118 HA PRO 17 HA PRO 17 9.040 6.642 -0.281 119 HB2 PRO 17 2HB PRO 17 9.378 8.636 1.530 120 HB3 PRO 17 3HB PRO 17 10.163 7.060 1.680 121 HG2 PRO 17 2HG PRO 17 11.276 9.640 0.646 122 HG3 PRO 17 3HG PRO 17 12.029 8.446 1.721 123 HD2 PRO 17 2HD PRO 17 12.592 8.583 -0.923 124 HD3 PRO 17 3HD PRO 17 12.608 7.054 -0.021 125 H LYS 18 HN LYS 18 8.390 7.611 -2.559 126 HA LYS 18 HA LYS 18 6.880 10.051 -1.971 127 HB2 LYS 18 2HB LYS 18 8.783 10.865 -3.195 128 HB3 LYS 18 3HB LYS 18 8.606 9.604 -4.408 129 HG2 LYS 18 2HG LYS 18 7.066 10.750 -5.550 130 HG3 LYS 18 3HG LYS 18 6.234 11.282 -4.087 131 HD2 LYS 18 2HD LYS 18 8.332 12.813 -3.800 132 HD3 LYS 18 3HD LYS 18 8.528 12.539 -5.532 133 HE2 LYS 18 2HE LYS 18 7.062 14.175 -5.878 134 HE3 LYS 18 3HE LYS 18 5.823 13.131 -5.184 135 HZ1 LYS 18 1HZ LYS 18 7.276 14.319 -3.098 136 HZ2 LYS 18 2HZ LYS 18 5.641 14.518 -3.486 137 HZ3 LYS 18 3HZ LYS 18 6.803 15.539 -4.173 138 H THR 19 HN THR 19 7.419 7.492 -4.386 139 HA THR 19 HA THR 19 4.580 7.574 -5.089 140 HB THR 19 HB THR 19 5.125 6.757 -7.119 141 HG1 THR 19 1HG THR 19 6.223 4.911 -7.369 142 HG21 THR 19 1HG2 THR 19 8.030 7.101 -6.615 143 HG22 THR 19 2HG2 THR 19 6.988 8.495 -6.331 144 HG23 THR 19 3HG2 THR 19 7.025 7.731 -7.919 145 H ASN 20 HN ASN 20 6.376 6.109 -2.806 146 HA ASN 20 HA ASN 20 5.082 3.493 -3.011 147 HB2 ASN 20 2HB ASN 20 7.346 4.563 -1.342 148 HB3 ASN 20 3HB ASN 20 6.554 3.044 -0.936 149 HD21 ASN 20 1HD2 ASN 20 9.292 3.520 -1.749 150 HD22 ASN 20 2HD2 ASN 20 9.547 2.582 -3.178 151 H THR 21 HN THR 21 3.579 5.916 -2.371 152 HA THR 21 HA THR 21 2.788 5.359 0.408 153 HB THR 21 HB THR 21 2.086 7.793 -1.242 154 HG1 THR 21 1HG THR 21 4.337 7.705 -0.803 155 HG21 THR 21 1HG2 THR 21 0.977 6.804 1.116 156 HG22 THR 21 2HG2 THR 21 0.802 8.435 0.468 157 HG23 THR 21 3HG2 THR 21 2.075 8.082 1.637 158 H CYS 22 HN CYS 22 1.113 4.025 0.562 159 HA CYS 22 HA CYS 22 -0.599 3.241 -1.459 160 HB2 CYS 22 2HB CYS 22 -0.327 2.084 0.728 161 HB3 CYS 22 3HB CYS 22 -1.269 3.362 1.488 162 H ARG 23 HN ARG 23 -2.317 4.100 -2.439 163 HA ARG 23 HA ARG 23 -3.138 6.775 -1.761 164 HB2 ARG 23 2HB ARG 23 -4.741 5.320 -3.749 165 HB3 ARG 23 3HB ARG 23 -3.939 6.881 -3.869 166 HG2 ARG 23 2HG ARG 23 -1.795 5.265 -3.897 167 HG3 ARG 23 3HG ARG 23 -2.995 4.199 -4.632 168 HD2 ARG 23 2HD ARG 23 -1.780 6.685 -5.654 169 HD3 ARG 23 3HD ARG 23 -2.326 5.250 -6.520 170 HE ARG 23 HE ARG 23 -3.807 7.641 -6.064 171 HH11 ARG 23 1HH1 ARG 23 -4.108 4.192 -6.428 172 HH12 ARG 23 2HH1 ARG 23 -5.741 4.264 -7.005 173 HH21 ARG 23 1HH2 ARG 23 -5.957 7.749 -6.821 174 HH22 ARG 23 2HH2 ARG 23 -6.791 6.288 -7.229 175 H GLY 24 HN GLY 24 -4.083 3.681 -0.815 176 HA2 GLY 24 1HA GLY 24 -6.844 4.499 -0.250 177 HA3 GLY 24 2HA GLY 24 -6.218 2.860 -0.157 178 H CYS 25 HN CYS 25 -3.832 4.339 1.280 179 HA CYS 25 HA CYS 25 -5.141 4.459 3.918 180 HB2 CYS 25 2HB CYS 25 -2.491 3.204 3.184 181 HB3 CYS 25 3HB CYS 25 -2.993 3.519 4.842 182 H ASN 26 HN ASN 26 -2.638 5.670 1.791 183 HA ASN 26 HA ASN 26 -1.712 7.769 1.700 184 HB2 ASN 26 2HB ASN 26 -2.706 8.543 4.405 185 HB3 ASN 26 3HB ASN 26 -2.565 9.512 2.941 186 HD21 ASN 26 1HD2 ASN 26 -3.933 7.902 1.155 187 HD22 ASN 26 2HD2 ASN 26 -5.600 7.857 1.603 188 H HIS 27 HN HIS 27 -0.705 5.320 3.134 189 HA HIS 27 HA HIS 27 1.346 6.651 4.780 190 HB2 HIS 27 2HB HIS 27 0.122 3.904 5.052 191 HB3 HIS 27 3HB HIS 27 1.605 4.376 5.878 192 HD1 HIS 27 1HD HIS 27 1.302 6.549 7.511 193 HD2 HIS 27 2HD HIS 27 -2.142 4.496 6.421 194 HE1 HIS 27 1HE HIS 27 -0.448 7.234 9.183 195 H LEU 28 HN LEU 28 3.468 5.538 4.794 196 HA LEU 28 HA LEU 28 4.305 5.012 2.102 197 HB2 LEU 28 2HB LEU 28 5.687 5.160 4.754 198 HB3 LEU 28 3HB LEU 28 6.534 4.547 3.335 199 HG LEU 28 HG LEU 28 5.359 7.307 3.659 200 HD11 LEU 28 1HD1 LEU 28 7.401 8.050 4.226 201 HD12 LEU 28 2HD1 LEU 28 8.225 6.926 3.147 202 HD13 LEU 28 3HD1 LEU 28 7.666 6.380 4.728 203 HD21 LEU 28 1HD2 LEU 28 5.397 7.473 1.449 204 HD22 LEU 28 2HD2 LEU 28 5.961 5.808 1.310 205 HD23 LEU 28 3HD2 LEU 28 7.125 7.125 1.462 206 H VAL 29 HN VAL 29 5.208 3.117 1.275 207 HA VAL 29 HA VAL 29 5.226 0.700 2.861 208 HB VAL 29 HB VAL 29 3.751 0.015 0.514 209 HG11 VAL 29 1HG1 VAL 29 2.679 0.003 3.314 210 HG12 VAL 29 2HG1 VAL 29 2.406 -1.159 2.014 211 HG13 VAL 29 3HG1 VAL 29 3.971 -1.094 2.826 212 HG21 VAL 29 1HG2 VAL 29 3.000 2.390 0.637 213 HG22 VAL 29 2HG2 VAL 29 1.699 1.213 0.819 214 HG23 VAL 29 3HG2 VAL 29 2.337 2.046 2.236 215 H CYS 30 HN CYS 30 7.054 -0.271 2.316 216 HA CYS 30 HA CYS 30 8.699 0.365 0.200 217 HB2 CYS 30 2HB CYS 30 9.917 -1.661 0.677 218 HB3 CYS 30 3HB CYS 30 9.345 -0.985 2.198 219 H ARG 31 HN ARG 31 9.431 -1.432 -1.455 220 HA ARG 31 HA ARG 31 7.155 -1.837 -3.193 221 HB2 ARG 31 2HB ARG 31 8.800 -2.497 -4.866 222 HB3 ARG 31 3HB ARG 31 9.277 -0.989 -4.097 223 HG2 ARG 31 2HG ARG 31 10.904 -2.142 -2.742 224 HG3 ARG 31 3HG ARG 31 10.370 -3.700 -3.377 225 HD2 ARG 31 2HD ARG 31 11.214 -3.227 -5.526 226 HD3 ARG 31 3HD ARG 31 11.403 -1.513 -5.159 227 HE ARG 31 HE ARG 31 13.067 -2.654 -3.391 228 HH11 ARG 31 1HH1 ARG 31 12.649 -3.096 -6.818 229 HH12 ARG 31 2HH1 ARG 31 14.307 -3.510 -7.100 230 HH21 ARG 31 1HH2 ARG 31 15.254 -3.199 -3.748 231 HH22 ARG 31 2HH2 ARG 31 15.787 -3.570 -5.353 232 H ASP 32 HN ASP 32 7.576 -3.438 -0.676 233 HA ASP 32 HA ASP 32 7.376 -6.098 -1.927 234 HB2 ASP 32 2HB ASP 32 9.504 -5.762 -0.620 235 HB3 ASP 32 3HB ASP 32 8.512 -5.568 0.823 236 H CYS 33 HN CYS 33 5.902 -3.713 -0.084 237 HA CYS 33 HA CYS 33 4.009 -5.631 1.102 238 HB2 CYS 33 2HB CYS 33 4.768 -2.819 1.885 239 HB3 CYS 33 3HB CYS 33 3.326 -3.612 2.512 240 H ARG 34 HN ARG 34 4.258 -4.152 -1.653 241 HA ARG 34 HA ARG 34 1.550 -3.012 -1.699 242 HB2 ARG 34 2HB ARG 34 2.997 -2.692 -4.173 243 HB3 ARG 34 3HB ARG 34 2.339 -1.464 -3.102 244 HG2 ARG 34 2HG ARG 34 4.353 -1.527 -1.751 245 HG3 ARG 34 3HG ARG 34 5.010 -2.812 -2.768 246 HD2 ARG 34 2HD ARG 34 4.180 -0.173 -3.926 247 HD3 ARG 34 3HD ARG 34 5.773 -0.394 -3.203 248 HE ARG 34 HE ARG 34 5.195 -2.419 -5.120 249 HH11 ARG 34 1HH1 ARG 34 6.210 0.893 -4.777 250 HH12 ARG 34 2HH1 ARG 34 7.066 0.923 -6.283 251 HH21 ARG 34 1HH2 ARG 34 6.319 -2.392 -7.104 252 HH22 ARG 34 2HH2 ARG 34 7.127 -0.947 -7.607 253 H ILE 35 HN ILE 35 0.013 -3.730 -3.157 254 HA ILE 35 HA ILE 35 0.627 -6.300 -4.461 255 HB ILE 35 HB ILE 35 -1.779 -5.339 -2.996 256 HG12 ILE 35 2HG1 ILE 35 -1.793 -7.845 -2.440 257 HG13 ILE 35 3HG1 ILE 35 -0.230 -7.913 -3.246 258 HG21 ILE 35 1HG2 ILE 35 -1.838 -6.872 -5.534 259 HG22 ILE 35 2HG2 ILE 35 -2.917 -7.388 -4.240 260 HG23 ILE 35 3HG2 ILE 35 -3.014 -5.741 -4.864 261 HD11 ILE 35 1HD1 ILE 35 -0.524 -5.832 -1.187 262 HD12 ILE 35 2HD1 ILE 35 -0.533 -7.503 -0.621 263 HD13 ILE 35 3HD1 ILE 35 0.835 -6.894 -1.551 264 H GLN 36 HN GLN 36 1.182 -5.601 -6.487 265 HA GLN 36 HA GLN 36 0.263 -3.566 -8.006 266 HB2 GLN 36 2HB GLN 36 0.486 -6.223 -9.351 267 HB3 GLN 36 3HB GLN 36 1.100 -4.657 -9.863 268 HG2 GLN 36 2HG GLN 36 3.043 -5.700 -9.289 269 HG3 GLN 36 3HG GLN 36 2.639 -4.917 -7.763 270 HE21 GLN 36 1HE2 GLN 36 0.398 -6.906 -7.448 271 HE22 GLN 36 2HE2 GLN 36 1.173 -8.333 -6.862 272 H GLU 37 HN GLU 37 -1.733 -2.878 -8.376 273 HA GLU 37 HA GLU 37 -3.974 -4.703 -8.363 274 HB2 GLU 37 2HB GLU 37 -3.901 -1.725 -8.879 275 HB3 GLU 37 3HB GLU 37 -5.346 -2.688 -8.605 276 HG2 GLU 37 2HG GLU 37 -3.405 -3.006 -6.479 277 HG3 GLU 37 3HG GLU 37 -3.885 -1.324 -6.702 278 H SER 38 HN SER 38 -1.897 -3.287 -10.684 279 HA SER 38 HA SER 38 -1.800 -3.392 -12.955 280 HB2 SER 38 2HB SER 38 -3.229 -5.766 -12.136 281 HB3 SER 38 3HB SER 38 -3.819 -5.203 -13.700 282 HG SER 38 HG SER 38 -2.073 -6.535 -14.063 283 H ASN 39 HN ASN 39 -4.151 -2.005 -11.338 284 HA ASN 39 HA ASN 39 -5.837 -1.397 -13.667 285 HB2 ASN 39 2HB ASN 39 -6.946 -2.198 -11.563 286 HB3 ASN 39 3HB ASN 39 -6.372 -0.735 -10.766 287 HD21 ASN 39 1HD2 ASN 39 -8.049 0.544 -10.476 288 HD22 ASN 39 2HD2 ASN 39 -9.238 0.942 -11.663 289 H GLY 40 HN GLY 40 -3.132 -0.310 -13.167 290 HA2 GLY 40 1HA GLY 40 -2.407 1.815 -13.981 291 HA3 GLY 40 2HA GLY 40 -3.876 2.527 -13.329 292 H THR 41 HN THR 41 -3.184 0.707 -10.870 293 HA THR 41 HA THR 41 -0.928 2.152 -9.755 294 HB THR 41 HB THR 41 -2.933 3.622 -9.365 295 HG1 THR 41 1HG THR 41 -2.423 3.275 -6.829 296 HG21 THR 41 1HG2 THR 41 -4.253 1.327 -8.778 297 HG22 THR 41 2HG2 THR 41 -4.774 2.929 -8.256 298 HG23 THR 41 3HG2 THR 41 -3.852 1.902 -7.160 299 H TRP 42 HN TRP 42 -1.451 1.565 -7.057 300 HA TRP 42 HA TRP 42 -1.897 -1.311 -6.912 301 HB2 TRP 42 2HB TRP 42 0.244 -1.709 -5.755 302 HB3 TRP 42 3HB TRP 42 0.490 -1.145 -7.405 303 HD1 TRP 42 1HD TRP 42 1.999 0.927 -7.715 304 HE1 TRP 42 1HE TRP 42 3.149 2.592 -6.124 305 HE3 TRP 42 3HE TRP 42 -0.184 -0.509 -3.320 306 HZ2 TRP 42 2HZ TRP 42 3.134 3.213 -3.371 307 HZ3 TRP 42 3HZ TRP 42 0.439 0.672 -1.253 308 HH2 TRP 42 2HH TRP 42 2.064 2.494 -1.279 309 H ARG 43 HN ARG 43 -1.893 -2.092 -4.637 310 HA ARG 43 HA ARG 43 -2.386 0.005 -2.657 311 HB2 ARG 43 2HB ARG 43 -4.332 -2.179 -3.403 312 HB3 ARG 43 3HB ARG 43 -4.437 -1.268 -1.903 313 HG2 ARG 43 2HG ARG 43 -4.228 0.422 -4.270 314 HG3 ARG 43 3HG ARG 43 -5.657 -0.614 -4.260 315 HD2 ARG 43 2HD ARG 43 -5.115 0.664 -1.690 316 HD3 ARG 43 3HD ARG 43 -5.427 1.808 -2.994 317 HE ARG 43 HE ARG 43 -7.305 -0.042 -1.808 318 HH11 ARG 43 1HH1 ARG 43 -6.570 2.022 -4.514 319 HH12 ARG 43 2HH1 ARG 43 -8.223 2.181 -5.009 320 HH21 ARG 43 1HH2 ARG 43 -9.484 0.158 -2.451 321 HH22 ARG 43 2HH2 ARG 43 -9.880 1.120 -3.835 322 H CYS 44 HN CYS 44 -1.605 -0.475 -0.692 323 HA CYS 44 HA CYS 44 0.206 -2.430 -0.185 324 HB2 CYS 44 2HB CYS 44 -0.003 -1.950 2.125 325 HB3 CYS 44 3HB CYS 44 -0.439 -0.459 1.294 326 H LYS 45 HN LYS 45 0.045 -4.286 1.384 327 HA LYS 45 HA LYS 45 -1.729 -6.233 0.359 328 HB2 LYS 45 2HB LYS 45 -0.467 -6.678 3.012 329 HB3 LYS 45 3HB LYS 45 -0.554 -7.744 1.616 330 HG2 LYS 45 2HG LYS 45 1.096 -6.106 0.522 331 HG3 LYS 45 3HG LYS 45 1.367 -5.515 2.163 332 HD2 LYS 45 2HD LYS 45 3.007 -7.126 1.973 333 HD3 LYS 45 3HD LYS 45 1.696 -8.045 2.716 334 HE2 LYS 45 2HE LYS 45 1.107 -8.404 0.115 335 HE3 LYS 45 3HE LYS 45 2.859 -8.233 0.008 336 HZ1 LYS 45 1HZ LYS 45 2.762 -10.435 0.420 337 HZ2 LYS 45 2HZ LYS 45 1.270 -10.354 1.212 338 HZ3 LYS 45 3HZ LYS 45 2.687 -9.925 2.030 339 H VAL 46 HN VAL 46 -2.054 -3.897 2.835 340 HA VAL 46 HA VAL 46 -4.105 -5.305 4.304 341 HB VAL 46 HB VAL 46 -3.521 -2.362 4.517 342 HG11 VAL 46 1HG1 VAL 46 -5.345 -2.789 5.845 343 HG12 VAL 46 2HG1 VAL 46 -4.831 -4.437 6.209 344 HG13 VAL 46 3HG1 VAL 46 -4.033 -3.072 6.989 345 HG21 VAL 46 1HG2 VAL 46 -2.047 -4.583 5.928 346 HG22 VAL 46 2HG2 VAL 46 -1.391 -3.599 4.620 347 HG23 VAL 46 3HG2 VAL 46 -1.809 -2.852 6.160 348 H CYS 47 HN CYS 47 -3.931 -3.210 1.583 349 HA CYS 47 HA CYS 47 -6.783 -2.567 1.735 350 HB2 CYS 47 2HB CYS 47 -4.487 -1.507 0.119 351 HB3 CYS 47 3HB CYS 47 -6.142 -1.241 -0.418 352 H ALA 48 HN ALA 48 -4.449 -3.912 -0.597 353 HA ALA 48 HA ALA 48 -6.446 -4.814 -2.409 354 HB1 ALA 48 1HB ALA 48 -4.722 -5.272 -3.754 355 HB2 ALA 48 2HB ALA 48 -3.727 -4.491 -2.523 356 HB3 ALA 48 3HB ALA 48 -3.908 -6.245 -2.528 357 H LYS 49 HN LYS 49 -5.478 -5.950 0.594 358 HA LYS 49 HA LYS 49 -6.849 -8.493 0.116 359 HB2 LYS 49 2HB LYS 49 -4.116 -8.412 0.270 360 HB3 LYS 49 3HB LYS 49 -4.558 -8.713 1.946 361 HG2 LYS 49 2HG LYS 49 -4.276 -10.834 1.033 362 HG3 LYS 49 3HG LYS 49 -6.025 -10.596 1.035 363 HD2 LYS 49 2HD LYS 49 -5.964 -11.154 -1.127 364 HD3 LYS 49 3HD LYS 49 -5.234 -9.571 -1.406 365 HE2 LYS 49 2HE LYS 49 -3.701 -10.952 -2.418 366 HE3 LYS 49 3HE LYS 49 -3.018 -10.818 -0.798 367 HZ1 LYS 49 1HZ LYS 49 -4.863 -12.957 -0.905 368 HZ2 LYS 49 2HZ LYS 49 -3.215 -12.994 -0.529 369 HZ3 LYS 49 3HZ LYS 49 -3.717 -13.134 -2.138 370 H GLU 50 HN GLU 50 -8.129 -9.153 1.773 371 HA GLU 50 HA GLU 50 -7.892 -7.794 4.358 372 HB2 GLU 50 2HB GLU 50 -9.879 -7.190 2.445 373 HB3 GLU 50 3HB GLU 50 -10.671 -8.126 3.705 374 HG2 GLU 50 2HG GLU 50 -9.986 -6.571 5.385 375 HG3 GLU 50 3HG GLU 50 -8.978 -5.697 4.232 376 H ILE 51 HN ILE 51 -8.736 -8.943 6.120 377 HA ILE 51 HA ILE 51 -9.256 -11.786 5.555 378 HB ILE 51 HB ILE 51 -8.674 -11.729 8.216 379 HG12 ILE 51 2HG1 ILE 51 -6.706 -9.821 6.956 380 HG13 ILE 51 3HG1 ILE 51 -8.094 -9.261 7.883 381 HG21 ILE 51 1HG2 ILE 51 -7.789 -13.149 6.282 382 HG22 ILE 51 2HG2 ILE 51 -6.506 -11.947 6.154 383 HG23 ILE 51 3HG2 ILE 51 -6.709 -12.864 7.646 384 HD11 ILE 51 1HD1 ILE 51 -7.195 -10.772 9.748 385 HD12 ILE 51 2HD1 ILE 51 -5.695 -10.779 8.819 386 HD13 ILE 51 3HD1 ILE 51 -6.357 -9.257 9.416 387 H GLU 52 HN GLU 52 -10.391 -8.943 7.231 388 HA GLU 52 HA GLU 52 -13.030 -9.977 7.437 389 HB2 GLU 52 2HB GLU 52 -11.601 -10.990 9.417 390 HB3 GLU 52 3HB GLU 52 -11.885 -9.412 10.136 391 HG2 GLU 52 2HG GLU 52 -13.920 -10.006 10.753 392 HG3 GLU 52 3HG GLU 52 -14.342 -10.437 9.097 393 H LEU 53 HN LEU 53 -12.124 -7.741 6.219 394 HA LEU 53 HA LEU 53 -12.863 -5.579 5.976 395 HB2 LEU 53 2HB LEU 53 -14.585 -6.426 7.814 396 HB3 LEU 53 3HB LEU 53 -13.656 -5.322 8.825 397 HG LEU 53 HG LEU 53 -14.150 -3.610 6.913 398 HD11 LEU 53 1HD1 LEU 53 -16.433 -5.549 6.566 399 HD12 LEU 53 2HD1 LEU 53 -15.141 -5.279 5.398 400 HD13 LEU 53 3HD1 LEU 53 -16.259 -3.974 5.791 401 HD21 LEU 53 1HD2 LEU 53 -15.788 -2.720 8.242 402 HD22 LEU 53 2HD2 LEU 53 -15.055 -3.862 9.369 403 HD23 LEU 53 3HD2 LEU 53 -16.553 -4.282 8.538 Start of MODEL 14 1 H1 SER 1 HN SER 1 8.161 12.128 11.881 2 HA SER 1 HA SER 1 7.787 10.154 10.650 3 HB2 SER 1 2HB SER 1 6.688 12.147 8.809 4 HB3 SER 1 3HB SER 1 7.555 10.851 7.986 5 HG SER 1 HG SER 1 6.020 9.508 8.506 6 H ASP 2 HN ASP 2 9.418 8.942 9.818 7 HA ASP 2 HA ASP 2 11.780 10.408 8.841 8 HB2 ASP 2 2HB ASP 2 11.488 8.058 10.661 9 HB3 ASP 2 3HB ASP 2 12.921 8.159 9.642 10 H ARG 3 HN ARG 3 9.308 8.562 7.790 11 HA ARG 3 HA ARG 3 8.962 7.663 5.699 12 HB2 ARG 3 2HB ARG 3 11.914 7.446 5.216 13 HB3 ARG 3 3HB ARG 3 10.614 7.660 4.053 14 HG2 ARG 3 2HG ARG 3 10.642 9.899 5.812 15 HG3 ARG 3 3HG ARG 3 12.276 9.624 5.202 16 HD2 ARG 3 2HD ARG 3 11.681 10.027 3.029 17 HD3 ARG 3 3HD ARG 3 10.014 9.507 3.275 18 HE ARG 3 HE ARG 3 10.100 11.748 4.730 19 HH11 ARG 3 1HH1 ARG 3 11.188 11.058 1.496 20 HH12 ARG 3 2HH1 ARG 3 10.921 12.671 0.922 21 HH21 ARG 3 1HH2 ARG 3 9.744 13.876 3.986 22 HH22 ARG 3 2HH2 ARG 3 10.100 14.273 2.340 23 H THR 4 HN THR 4 8.425 5.980 7.408 24 HA THR 4 HA THR 4 10.087 3.587 6.956 25 HB THR 4 HB THR 4 8.488 3.349 9.344 26 HG1 THR 4 1HG THR 4 8.941 5.155 10.349 27 HG21 THR 4 1HG2 THR 4 10.360 1.919 8.952 28 HG22 THR 4 2HG2 THR 4 10.762 2.934 10.337 29 HG23 THR 4 3HG2 THR 4 11.443 3.294 8.751 30 H CYS 5 HN CYS 5 9.061 1.726 6.387 31 HA CYS 5 HA CYS 5 6.663 1.756 5.060 32 HB2 CYS 5 2HB CYS 5 8.398 -0.078 5.043 33 HB3 CYS 5 3HB CYS 5 7.709 -0.650 6.559 34 H ALA 6 HN ALA 6 4.555 0.986 5.542 35 HA ALA 6 HA ALA 6 3.771 1.514 8.311 36 HB1 ALA 6 1HB ALA 6 1.442 1.167 6.896 37 HB2 ALA 6 2HB ALA 6 2.227 2.712 7.230 38 HB3 ALA 6 3HB ALA 6 2.526 1.883 5.703 39 H ARG 7 HN ARG 7 4.710 -1.098 6.652 40 HA ARG 7 HA ARG 7 2.839 -2.873 8.079 41 HB2 ARG 7 2HB ARG 7 4.251 -3.718 5.568 42 HB3 ARG 7 3HB ARG 7 2.797 -4.386 6.299 43 HG2 ARG 7 2HG ARG 7 3.036 -1.741 4.882 44 HG3 ARG 7 3HG ARG 7 2.241 -3.195 4.277 45 HD2 ARG 7 2HD ARG 7 1.373 -1.298 6.408 46 HD3 ARG 7 3HD ARG 7 0.449 -1.986 5.074 47 HE ARG 7 HE ARG 7 0.929 -4.153 6.552 48 HH11 ARG 7 1HH1 ARG 7 -0.187 -0.979 7.442 49 HH12 ARG 7 2HH1 ARG 7 -1.116 -1.541 8.793 50 HH21 ARG 7 1HH2 ARG 7 -0.290 -4.907 8.328 51 HH22 ARG 7 2HH2 ARG 7 -1.173 -3.775 9.296 52 H CYS 8 HN CYS 8 6.129 -2.407 6.881 53 HA CYS 8 HA CYS 8 7.068 -4.577 8.617 54 HB2 CYS 8 2HB CYS 8 8.700 -3.036 6.600 55 HB3 CYS 8 3HB CYS 8 9.083 -4.587 7.340 56 H GLN 9 HN GLN 9 7.030 -1.147 8.291 57 HA GLN 9 HA GLN 9 7.713 0.521 9.684 58 HB2 GLN 9 2HB GLN 9 7.675 -1.840 11.383 59 HB3 GLN 9 3HB GLN 9 8.898 -0.685 11.892 60 HG2 GLN 9 2HG GLN 9 7.383 0.815 12.593 61 HG3 GLN 9 3HG GLN 9 6.269 0.467 11.272 62 HE21 GLN 9 1HE2 GLN 9 4.776 -1.201 11.497 63 HE22 GLN 9 2HE2 GLN 9 4.383 -1.879 13.037 64 H GLU 10 HN GLU 10 9.475 -0.731 7.710 65 HA GLU 10 HA GLU 10 12.116 -0.356 8.928 66 HB2 GLU 10 2HB GLU 10 11.098 -1.820 6.555 67 HB3 GLU 10 3HB GLU 10 12.707 -1.125 6.426 68 HG2 GLU 10 2HG GLU 10 13.105 -2.303 8.709 69 HG3 GLU 10 3HG GLU 10 11.714 -3.276 8.235 70 H SER 11 HN SER 11 13.670 1.026 7.970 71 HA SER 11 HA SER 11 12.754 3.555 7.263 72 HB2 SER 11 2HB SER 11 15.226 3.724 6.309 73 HB3 SER 11 3HB SER 11 14.921 3.625 8.043 74 HG SER 11 HG SER 11 16.116 1.907 7.987 75 H LEU 12 HN LEU 12 12.646 4.687 5.323 76 HA LEU 12 HA LEU 12 12.365 2.988 2.945 77 HB2 LEU 12 2HB LEU 12 11.163 5.611 3.755 78 HB3 LEU 12 3HB LEU 12 11.173 5.102 2.068 79 HG LEU 12 HG LEU 12 9.163 4.613 3.827 80 HD11 LEU 12 1HD1 LEU 12 9.594 2.549 1.756 81 HD12 LEU 12 2HD1 LEU 12 9.588 4.229 1.219 82 HD13 LEU 12 3HD1 LEU 12 8.192 3.570 2.070 83 HD21 LEU 12 1HD2 LEU 12 10.647 3.079 5.105 84 HD22 LEU 12 2HD2 LEU 12 10.751 2.055 3.672 85 HD23 LEU 12 3HD2 LEU 12 9.197 2.302 4.468 86 H GLY 13 HN GLY 13 14.916 4.067 4.007 87 HA2 GLY 13 1HA GLY 13 16.057 6.208 2.900 88 HA3 GLY 13 2HA GLY 13 16.870 4.650 2.883 89 H ARG 14 HN ARG 14 16.854 3.399 0.995 90 HA ARG 14 HA ARG 14 16.601 4.962 -1.426 91 HB2 ARG 14 2HB ARG 14 18.143 2.723 -0.575 92 HB3 ARG 14 3HB ARG 14 17.219 2.238 -1.990 93 HG2 ARG 14 2HG ARG 14 18.603 3.331 -3.325 94 HG3 ARG 14 3HG ARG 14 18.357 4.828 -2.424 95 HD2 ARG 14 2HD ARG 14 19.981 3.546 -0.721 96 HD3 ARG 14 3HD ARG 14 20.522 2.823 -2.235 97 HE ARG 14 HE ARG 14 21.625 4.767 -2.640 98 HH11 ARG 14 1HH1 ARG 14 18.880 5.477 -0.619 99 HH12 ARG 14 2HH1 ARG 14 19.238 7.169 -0.504 100 HH21 ARG 14 1HH2 ARG 14 22.106 6.992 -2.497 101 HH22 ARG 14 2HH2 ARG 14 21.072 8.029 -1.573 102 H LEU 15 HN LEU 15 14.237 3.926 0.200 103 HA LEU 15 HA LEU 15 12.921 2.028 -1.495 104 HB2 LEU 15 2HB LEU 15 12.334 3.475 0.988 105 HB3 LEU 15 3HB LEU 15 10.925 3.158 -0.023 106 HG LEU 15 HG LEU 15 11.261 1.445 1.711 107 HD11 LEU 15 1HD1 LEU 15 10.783 -0.388 0.345 108 HD12 LEU 15 2HD1 LEU 15 11.799 0.207 -0.966 109 HD13 LEU 15 3HD1 LEU 15 10.271 1.007 -0.605 110 HD21 LEU 15 1HD2 LEU 15 13.362 0.879 2.193 111 HD22 LEU 15 2HD2 LEU 15 13.968 1.517 0.663 112 HD23 LEU 15 3HD2 LEU 15 13.319 -0.122 0.741 113 H SER 16 HN SER 16 12.855 5.526 -1.092 114 HA SER 16 HA SER 16 12.262 7.133 -2.631 115 HB2 SER 16 2HB SER 16 12.493 5.000 -4.279 116 HB3 SER 16 3HB SER 16 10.763 5.308 -4.420 117 HG SER 16 HG SER 16 11.199 7.003 -5.572 118 HA PRO 17 HA PRO 17 8.161 6.784 -0.506 119 HB2 PRO 17 2HB PRO 17 8.403 9.134 0.833 120 HB3 PRO 17 3HB PRO 17 9.044 7.607 1.449 121 HG2 PRO 17 2HG PRO 17 10.469 9.822 0.027 122 HG3 PRO 17 3HG PRO 17 10.985 8.888 1.443 123 HD2 PRO 17 2HD PRO 17 11.899 8.374 -1.053 124 HD3 PRO 17 3HD PRO 17 11.685 7.102 0.167 125 H LYS 18 HN LYS 18 9.546 8.591 -2.906 126 HA LYS 18 HA LYS 18 7.772 10.776 -3.158 127 HB2 LYS 18 2HB LYS 18 9.990 9.717 -4.581 128 HB3 LYS 18 3HB LYS 18 8.675 9.913 -5.732 129 HG2 LYS 18 2HG LYS 18 8.728 12.165 -5.619 130 HG3 LYS 18 3HG LYS 18 9.157 12.180 -3.906 131 HD2 LYS 18 2HD LYS 18 11.232 12.693 -4.535 132 HD3 LYS 18 3HD LYS 18 11.362 11.051 -5.172 133 HE2 LYS 18 2HE LYS 18 10.645 13.579 -6.631 134 HE3 LYS 18 3HE LYS 18 11.973 12.465 -6.951 135 HZ1 LYS 18 1HZ LYS 18 10.632 11.580 -8.469 136 HZ2 LYS 18 2HZ LYS 18 9.265 12.379 -7.874 137 HZ3 LYS 18 3HZ LYS 18 9.753 10.913 -7.187 138 H THR 19 HN THR 19 7.611 7.436 -4.190 139 HA THR 19 HA THR 19 4.842 7.898 -5.057 140 HB THR 19 HB THR 19 5.298 7.356 -7.166 141 HG1 THR 19 1HG THR 19 5.864 5.189 -7.613 142 HG21 THR 19 1HG2 THR 19 8.100 6.576 -6.360 143 HG22 THR 19 2HG2 THR 19 7.585 8.232 -6.681 144 HG23 THR 19 3HG2 THR 19 7.540 7.029 -7.969 145 H ASN 20 HN ASN 20 6.817 6.379 -2.958 146 HA ASN 20 HA ASN 20 5.506 3.791 -2.949 147 HB2 ASN 20 2HB ASN 20 7.759 5.037 -1.421 148 HB3 ASN 20 3HB ASN 20 6.953 3.619 -0.758 149 HD21 ASN 20 1HD2 ASN 20 9.304 2.947 -1.086 150 HD22 ASN 20 2HD2 ASN 20 9.659 2.155 -2.580 151 H THR 21 HN THR 21 3.642 5.762 -2.623 152 HA THR 21 HA THR 21 2.882 5.449 0.206 153 HB THR 21 HB THR 21 2.273 7.843 -1.539 154 HG1 THR 21 1HG THR 21 4.271 8.287 -0.915 155 HG21 THR 21 1HG2 THR 21 0.512 7.339 0.102 156 HG22 THR 21 2HG2 THR 21 1.363 8.832 0.496 157 HG23 THR 21 3HG2 THR 21 1.717 7.354 1.389 158 H CYS 22 HN CYS 22 1.364 3.901 0.157 159 HA CYS 22 HA CYS 22 -0.287 3.142 -1.889 160 HB2 CYS 22 2HB CYS 22 -0.024 1.949 0.284 161 HB3 CYS 22 3HB CYS 22 -1.059 3.160 1.036 162 H ARG 23 HN ARG 23 -1.981 3.978 -2.920 163 HA ARG 23 HA ARG 23 -2.948 6.586 -2.198 164 HB2 ARG 23 2HB ARG 23 -4.437 5.128 -4.264 165 HB3 ARG 23 3HB ARG 23 -3.675 6.712 -4.329 166 HG2 ARG 23 2HG ARG 23 -1.468 5.287 -4.389 167 HG3 ARG 23 3HG ARG 23 -2.560 4.039 -4.995 168 HD2 ARG 23 2HD ARG 23 -1.832 5.079 -6.938 169 HD3 ARG 23 3HD ARG 23 -3.376 5.871 -6.622 170 HE ARG 23 HE ARG 23 -2.240 7.831 -6.428 171 HH11 ARG 23 1HH1 ARG 23 -0.034 5.218 -5.772 172 HH12 ARG 23 2HH1 ARG 23 1.344 6.253 -5.594 173 HH21 ARG 23 1HH2 ARG 23 -0.432 9.204 -6.197 174 HH22 ARG 23 2HH2 ARG 23 1.116 8.521 -5.836 175 H GLY 24 HN GLY 24 -3.607 3.718 -0.888 176 HA2 GLY 24 1HA GLY 24 -6.515 4.097 -0.720 177 HA3 GLY 24 2HA GLY 24 -5.638 2.654 -0.236 178 H CYS 25 HN CYS 25 -3.730 3.579 1.440 179 HA CYS 25 HA CYS 25 -5.334 4.671 3.647 180 HB2 CYS 25 2HB CYS 25 -3.382 3.724 5.042 181 HB3 CYS 25 3HB CYS 25 -4.510 2.581 4.318 182 H ASN 26 HN ASN 26 -2.703 5.342 1.568 183 HA ASN 26 HA ASN 26 -1.493 7.264 1.294 184 HB2 ASN 26 2HB ASN 26 -3.627 8.170 2.734 185 HB3 ASN 26 3HB ASN 26 -2.293 8.563 3.815 186 HD21 ASN 26 1HD2 ASN 26 -3.221 8.799 0.403 187 HD22 ASN 26 2HD2 ASN 26 -2.519 10.357 0.143 188 H HIS 27 HN HIS 27 -0.794 4.901 3.013 189 HA HIS 27 HA HIS 27 1.245 6.150 4.726 190 HB2 HIS 27 2HB HIS 27 0.089 3.356 4.777 191 HB3 HIS 27 3HB HIS 27 1.395 3.914 5.819 192 HD1 HIS 27 1HD HIS 27 0.266 6.639 6.670 193 HD2 HIS 27 2HD HIS 27 -1.959 3.133 6.552 194 HE1 HIS 27 1HE HIS 27 -1.646 7.003 8.262 195 H LEU 28 HN LEU 28 3.372 5.135 4.787 196 HA LEU 28 HA LEU 28 4.363 4.657 2.147 197 HB2 LEU 28 2HB LEU 28 5.598 4.725 4.877 198 HB3 LEU 28 3HB LEU 28 6.526 4.194 3.475 199 HG LEU 28 HG LEU 28 5.272 6.913 3.852 200 HD11 LEU 28 1HD1 LEU 28 7.451 6.093 5.113 201 HD12 LEU 28 2HD1 LEU 28 7.315 7.720 4.447 202 HD13 LEU 28 3HD1 LEU 28 8.192 6.474 3.559 203 HD21 LEU 28 1HD2 LEU 28 6.411 5.529 1.518 204 HD22 LEU 28 2HD2 LEU 28 7.004 7.167 1.794 205 HD23 LEU 28 3HD2 LEU 28 5.275 6.876 1.601 206 H VAL 29 HN VAL 29 5.144 2.789 1.247 207 HA VAL 29 HA VAL 29 5.133 0.326 2.799 208 HB VAL 29 HB VAL 29 3.842 -0.267 0.315 209 HG11 VAL 29 1HG1 VAL 29 3.908 -1.470 2.596 210 HG12 VAL 29 2HG1 VAL 29 2.556 -0.419 3.016 211 HG13 VAL 29 3HG1 VAL 29 2.420 -1.529 1.652 212 HG21 VAL 29 1HG2 VAL 29 3.099 2.145 0.604 213 HG22 VAL 29 2HG2 VAL 29 1.822 0.941 0.430 214 HG23 VAL 29 3HG2 VAL 29 2.210 1.593 2.022 215 H CYS 30 HN CYS 30 7.026 -0.585 2.384 216 HA CYS 30 HA CYS 30 8.843 0.088 0.458 217 HB2 CYS 30 2HB CYS 30 9.888 -2.117 0.838 218 HB3 CYS 30 3HB CYS 30 9.409 -1.346 2.346 219 H ARG 31 HN ARG 31 9.688 -1.529 -1.277 220 HA ARG 31 HA ARG 31 7.591 -1.771 -3.236 221 HB2 ARG 31 2HB ARG 31 10.412 -2.763 -3.574 222 HB3 ARG 31 3HB ARG 31 9.298 -2.185 -4.806 223 HG2 ARG 31 2HG ARG 31 9.620 -0.038 -3.060 224 HG3 ARG 31 3HG ARG 31 11.232 -0.731 -3.251 225 HD2 ARG 31 2HD ARG 31 9.430 0.490 -5.290 226 HD3 ARG 31 3HD ARG 31 11.152 0.749 -5.014 227 HE ARG 31 HE ARG 31 9.950 -1.242 -6.692 228 HH11 ARG 31 1HH1 ARG 31 12.748 -0.440 -4.782 229 HH12 ARG 31 2HH1 ARG 31 13.812 -1.483 -5.665 230 HH21 ARG 31 1HH2 ARG 31 11.341 -2.618 -7.863 231 HH22 ARG 31 2HH2 ARG 31 13.011 -2.720 -7.420 232 H ASP 32 HN ASP 32 8.047 -3.608 -0.732 233 HA ASP 32 HA ASP 32 7.677 -6.141 -2.195 234 HB2 ASP 32 2HB ASP 32 9.752 -6.154 -0.888 235 HB3 ASP 32 3HB ASP 32 8.849 -5.735 0.565 236 H CYS 33 HN CYS 33 6.202 -3.823 -0.307 237 HA CYS 33 HA CYS 33 4.235 -5.729 0.769 238 HB2 CYS 33 2HB CYS 33 5.014 -2.938 1.591 239 HB3 CYS 33 3HB CYS 33 3.503 -3.666 2.123 240 H ARG 34 HN ARG 34 4.656 -4.071 -1.930 241 HA ARG 34 HA ARG 34 1.982 -2.907 -2.102 242 HB2 ARG 34 2HB ARG 34 3.817 -2.916 -4.442 243 HB3 ARG 34 3HB ARG 34 2.734 -1.655 -3.867 244 HG2 ARG 34 2HG ARG 34 4.275 -1.084 -2.098 245 HG3 ARG 34 3HG ARG 34 5.338 -2.414 -2.562 246 HD2 ARG 34 2HD ARG 34 4.598 -0.172 -4.429 247 HD3 ARG 34 3HD ARG 34 6.012 -0.119 -3.375 248 HE ARG 34 HE ARG 34 6.129 -2.498 -4.813 249 HH11 ARG 34 1HH1 ARG 34 6.242 0.929 -5.418 250 HH12 ARG 34 2HH1 ARG 34 7.244 0.779 -6.823 251 HH21 ARG 34 1HH2 ARG 34 7.449 -2.708 -6.661 252 HH22 ARG 34 2HH2 ARG 34 7.930 -1.289 -7.530 253 H ILE 35 HN ILE 35 0.371 -3.691 -3.378 254 HA ILE 35 HA ILE 35 0.896 -6.255 -4.733 255 HB ILE 35 HB ILE 35 -1.453 -5.334 -3.122 256 HG12 ILE 35 2HG1 ILE 35 -1.220 -7.835 -2.438 257 HG13 ILE 35 3HG1 ILE 35 0.356 -7.731 -3.215 258 HG21 ILE 35 1HG2 ILE 35 -2.646 -5.956 -5.001 259 HG22 ILE 35 2HG2 ILE 35 -1.486 -7.204 -5.452 260 HG23 ILE 35 3HG2 ILE 35 -2.576 -7.464 -4.090 261 HD11 ILE 35 1HD1 ILE 35 1.219 -6.403 -1.593 262 HD12 ILE 35 2HD1 ILE 35 -0.333 -5.649 -1.226 263 HD13 ILE 35 3HD1 ILE 35 0.019 -7.274 -0.637 264 H GLN 36 HN GLN 36 1.196 -5.595 -6.810 265 HA GLN 36 HA GLN 36 0.225 -3.565 -8.252 266 HB2 GLN 36 2HB GLN 36 0.008 -6.252 -9.539 267 HB3 GLN 36 3HB GLN 36 0.683 -4.760 -10.177 268 HG2 GLN 36 2HG GLN 36 2.587 -5.964 -9.853 269 HG3 GLN 36 3HG GLN 36 2.472 -5.136 -8.300 270 HE21 GLN 36 1HE2 GLN 36 0.135 -6.903 -7.624 271 HE22 GLN 36 2HE2 GLN 36 0.853 -8.395 -7.130 272 H GLU 37 HN GLU 37 -1.624 -2.942 -9.303 273 HA GLU 37 HA GLU 37 -4.021 -4.591 -8.849 274 HB2 GLU 37 2HB GLU 37 -3.768 -1.590 -8.603 275 HB3 GLU 37 3HB GLU 37 -5.296 -2.460 -8.588 276 HG2 GLU 37 2HG GLU 37 -3.228 -3.313 -6.651 277 HG3 GLU 37 3HG GLU 37 -4.022 -1.764 -6.369 278 H SER 38 HN SER 38 -5.905 -3.539 -10.251 279 HA SER 38 HA SER 38 -4.887 -3.552 -12.993 280 HB2 SER 38 2HB SER 38 -7.691 -3.544 -13.061 281 HB3 SER 38 3HB SER 38 -6.629 -4.932 -13.292 282 HG SER 38 HG SER 38 -8.210 -5.201 -11.604 283 H ASN 39 HN ASN 39 -5.943 -1.373 -10.662 284 HA ASN 39 HA ASN 39 -7.153 0.524 -12.476 285 HB2 ASN 39 2HB ASN 39 -6.383 0.714 -9.557 286 HB3 ASN 39 3HB ASN 39 -7.173 2.010 -10.451 287 HD21 ASN 39 1HD2 ASN 39 -7.703 -0.459 -8.394 288 HD22 ASN 39 2HD2 ASN 39 -9.358 -0.799 -8.750 289 H GLY 40 HN GLY 40 -4.523 -0.240 -13.213 290 HA2 GLY 40 1HA GLY 40 -2.521 0.671 -13.872 291 HA3 GLY 40 2HA GLY 40 -3.379 2.205 -13.852 292 H THR 41 HN THR 41 -3.083 0.358 -10.933 293 HA THR 41 HA THR 41 -0.754 1.845 -10.032 294 HB THR 41 HB THR 41 -2.748 3.311 -9.563 295 HG1 THR 41 1HG THR 41 -0.911 3.573 -8.297 296 HG21 THR 41 1HG2 THR 41 -3.414 1.195 -7.516 297 HG22 THR 41 2HG2 THR 41 -4.302 1.437 -9.021 298 HG23 THR 41 3HG2 THR 41 -4.272 2.709 -7.801 299 H TRP 42 HN TRP 42 -1.094 1.354 -7.284 300 HA TRP 42 HA TRP 42 -1.424 -1.543 -7.056 301 HB2 TRP 42 2HB TRP 42 0.734 -1.774 -5.889 302 HB3 TRP 42 3HB TRP 42 0.949 -1.226 -7.549 303 HD1 TRP 42 1HD TRP 42 2.244 0.993 -7.905 304 HE1 TRP 42 1HE TRP 42 3.302 2.738 -6.337 305 HE3 TRP 42 3HE TRP 42 0.320 -0.640 -3.459 306 HZ2 TRP 42 2HZ TRP 42 3.319 3.342 -3.580 307 HZ3 TRP 42 3HZ TRP 42 0.906 0.578 -1.403 308 HH2 TRP 42 2HH TRP 42 2.376 2.527 -1.464 309 H ARG 43 HN ARG 43 -1.439 -2.277 -4.786 310 HA ARG 43 HA ARG 43 -2.034 -0.174 -2.839 311 HB2 ARG 43 2HB ARG 43 -3.896 -2.366 -3.708 312 HB3 ARG 43 3HB ARG 43 -4.006 -1.679 -2.093 313 HG2 ARG 43 2HG ARG 43 -3.894 0.464 -3.947 314 HG3 ARG 43 3HG ARG 43 -5.096 -0.697 -4.516 315 HD2 ARG 43 2HD ARG 43 -5.073 0.087 -1.638 316 HD3 ARG 43 3HD ARG 43 -5.752 1.198 -2.826 317 HE ARG 43 HE ARG 43 -6.883 -1.289 -3.302 318 HH11 ARG 43 1HH1 ARG 43 -6.806 1.072 -0.746 319 HH12 ARG 43 2HH1 ARG 43 -8.376 0.659 -0.140 320 HH21 ARG 43 1HH2 ARG 43 -8.951 -1.842 -2.514 321 HH22 ARG 43 2HH2 ARG 43 -9.594 -1.000 -1.145 322 H CYS 44 HN CYS 44 -1.547 -0.691 -0.735 323 HA CYS 44 HA CYS 44 0.440 -2.539 -0.213 324 HB2 CYS 44 2HB CYS 44 0.022 -2.137 2.147 325 HB3 CYS 44 3HB CYS 44 -0.122 -0.626 1.254 326 H LYS 45 HN LYS 45 0.291 -4.368 1.403 327 HA LYS 45 HA LYS 45 -1.457 -6.362 0.372 328 HB2 LYS 45 2HB LYS 45 -0.136 -6.867 2.967 329 HB3 LYS 45 3HB LYS 45 -0.161 -7.845 1.506 330 HG2 LYS 45 2HG LYS 45 1.407 -6.047 0.537 331 HG3 LYS 45 3HG LYS 45 1.649 -5.575 2.221 332 HD2 LYS 45 2HD LYS 45 3.347 -7.092 1.986 333 HD3 LYS 45 3HD LYS 45 2.054 -8.164 2.528 334 HE2 LYS 45 2HE LYS 45 1.548 -8.527 0.057 335 HE3 LYS 45 3HE LYS 45 3.100 -7.755 -0.260 336 HZ1 LYS 45 1HZ LYS 45 2.906 -10.335 0.011 337 HZ2 LYS 45 2HZ LYS 45 3.012 -9.968 1.659 338 HZ3 LYS 45 3HZ LYS 45 4.253 -9.502 0.608 339 H VAL 46 HN VAL 46 -1.927 -3.939 2.630 340 HA VAL 46 HA VAL 46 -3.894 -5.448 4.184 341 HB VAL 46 HB VAL 46 -3.128 -2.558 4.570 342 HG11 VAL 46 1HG1 VAL 46 -3.765 -3.493 7.004 343 HG12 VAL 46 2HG1 VAL 46 -4.944 -2.780 5.901 344 HG13 VAL 46 3HG1 VAL 46 -4.785 -4.533 6.010 345 HG21 VAL 46 1HG2 VAL 46 -1.925 -4.215 6.532 346 HG22 VAL 46 2HG2 VAL 46 -1.487 -4.850 4.945 347 HG23 VAL 46 3HG2 VAL 46 -1.140 -3.168 5.349 348 H CYS 47 HN CYS 47 -3.684 -3.270 1.557 349 HA CYS 47 HA CYS 47 -6.513 -2.527 1.798 350 HB2 CYS 47 2HB CYS 47 -4.229 -1.409 0.183 351 HB3 CYS 47 3HB CYS 47 -5.902 -0.998 -0.178 352 H ALA 48 HN ALA 48 -4.238 -4.278 -0.196 353 HA ALA 48 HA ALA 48 -6.151 -4.760 -2.307 354 HB1 ALA 48 1HB ALA 48 -3.455 -6.035 -1.872 355 HB2 ALA 48 2HB ALA 48 -4.409 -6.052 -3.356 356 HB3 ALA 48 3HB ALA 48 -3.730 -4.537 -2.760 357 H LYS 49 HN LYS 49 -5.232 -6.236 0.657 358 HA LYS 49 HA LYS 49 -7.033 -8.479 0.080 359 HB2 LYS 49 2HB LYS 49 -4.185 -8.630 0.613 360 HB3 LYS 49 3HB LYS 49 -5.109 -9.526 1.812 361 HG2 LYS 49 2HG LYS 49 -5.669 -11.132 0.360 362 HG3 LYS 49 3HG LYS 49 -5.960 -9.986 -0.950 363 HD2 LYS 49 2HD LYS 49 -3.429 -9.754 -1.094 364 HD3 LYS 49 3HD LYS 49 -3.348 -11.180 -0.058 365 HE2 LYS 49 2HE LYS 49 -4.175 -10.925 -2.890 366 HE3 LYS 49 3HE LYS 49 -3.286 -12.215 -2.081 367 HZ1 LYS 49 1HZ LYS 49 -6.210 -11.724 -1.943 368 HZ2 LYS 49 2HZ LYS 49 -5.394 -12.892 -1.031 369 HZ3 LYS 49 3HZ LYS 49 -5.436 -13.014 -2.718 370 H GLU 50 HN GLU 50 -8.566 -8.664 1.572 371 HA GLU 50 HA GLU 50 -8.524 -7.031 3.926 372 HB2 GLU 50 2HB GLU 50 -10.466 -8.762 2.541 373 HB3 GLU 50 3HB GLU 50 -10.659 -8.679 4.287 374 HG2 GLU 50 2HG GLU 50 -12.049 -7.011 3.359 375 HG3 GLU 50 3HG GLU 50 -10.668 -6.185 4.078 376 H ILE 51 HN ILE 51 -6.605 -7.925 4.928 377 HA ILE 51 HA ILE 51 -6.997 -10.565 6.155 378 HB ILE 51 HB ILE 51 -4.879 -10.127 4.873 379 HG12 ILE 51 2HG1 ILE 51 -3.528 -10.720 7.224 380 HG13 ILE 51 3HG1 ILE 51 -5.183 -11.213 7.564 381 HG21 ILE 51 1HG2 ILE 51 -4.856 -7.747 6.210 382 HG22 ILE 51 2HG2 ILE 51 -3.660 -8.683 7.105 383 HG23 ILE 51 3HG2 ILE 51 -3.476 -8.451 5.366 384 HD11 ILE 51 1HD1 ILE 51 -3.350 -12.201 5.410 385 HD12 ILE 51 2HD1 ILE 51 -4.126 -13.113 6.705 386 HD13 ILE 51 3HD1 ILE 51 -5.090 -12.482 5.370 387 H GLU 52 HN GLU 52 -7.077 -7.235 6.824 388 HA GLU 52 HA GLU 52 -7.176 -7.811 9.706 389 HB2 GLU 52 2HB GLU 52 -5.144 -6.383 8.539 390 HB3 GLU 52 3HB GLU 52 -6.260 -5.110 9.013 391 HG2 GLU 52 2HG GLU 52 -6.042 -5.566 11.258 392 HG3 GLU 52 3HG GLU 52 -5.518 -7.225 10.978 393 H LEU 53 HN LEU 53 -8.818 -6.871 10.815 394 HA LEU 53 HA LEU 53 -10.785 -5.396 9.225 395 HB2 LEU 53 2HB LEU 53 -11.071 -6.661 11.945 396 HB3 LEU 53 3HB LEU 53 -12.367 -5.949 10.985 397 HG LEU 53 HG LEU 53 -10.801 -8.254 9.898 398 HD11 LEU 53 1HD1 LEU 53 -13.135 -9.292 11.034 399 HD12 LEU 53 2HD1 LEU 53 -12.385 -8.314 12.296 400 HD13 LEU 53 3HD1 LEU 53 -11.469 -9.608 11.522 401 HD21 LEU 53 1HD2 LEU 53 -13.728 -7.844 9.585 402 HD22 LEU 53 2HD2 LEU 53 -12.547 -8.494 8.448 403 HD23 LEU 53 3HD2 LEU 53 -12.636 -6.755 8.730 Start of MODEL 15 1 H1 SER 1 HN SER 1 7.972 8.430 10.336 2 HA SER 1 HA SER 1 7.901 10.949 10.590 3 HB2 SER 1 2HB SER 1 9.673 10.280 12.949 4 HB3 SER 1 3HB SER 1 9.150 11.883 12.434 5 HG SER 1 HG SER 1 7.652 11.488 13.885 6 H ASP 2 HN ASP 2 10.003 8.299 10.414 7 HA ASP 2 HA ASP 2 12.108 9.932 9.163 8 HB2 ASP 2 2HB ASP 2 12.280 7.106 10.231 9 HB3 ASP 2 3HB ASP 2 13.611 8.030 9.540 10 H ARG 3 HN ARG 3 9.464 8.242 8.330 11 HA ARG 3 HA ARG 3 8.721 7.625 6.243 12 HB2 ARG 3 2HB ARG 3 11.533 7.557 5.195 13 HB3 ARG 3 3HB ARG 3 10.037 7.876 4.327 14 HG2 ARG 3 2HG ARG 3 10.368 9.869 6.334 15 HG3 ARG 3 3HG ARG 3 11.865 9.729 5.412 16 HD2 ARG 3 2HD ARG 3 10.323 9.775 3.342 17 HD3 ARG 3 3HD ARG 3 9.110 10.413 4.452 18 HE ARG 3 HE ARG 3 11.382 11.800 3.393 19 HH11 ARG 3 1HH1 ARG 3 9.172 11.606 6.077 20 HH12 ARG 3 2HH1 ARG 3 9.384 13.262 6.540 21 HH21 ARG 3 1HH2 ARG 3 11.669 13.983 3.993 22 HH22 ARG 3 2HH2 ARG 3 10.803 14.614 5.354 23 H THR 4 HN THR 4 8.601 5.719 7.858 24 HA THR 4 HA THR 4 10.173 3.461 6.805 25 HB THR 4 HB THR 4 8.789 2.868 9.281 26 HG1 THR 4 1HG THR 4 9.124 5.078 9.728 27 HG21 THR 4 1HG2 THR 4 11.076 2.212 9.973 28 HG22 THR 4 2HG2 THR 4 11.699 2.904 8.475 29 HG23 THR 4 3HG2 THR 4 10.607 1.520 8.421 30 H CYS 5 HN CYS 5 9.133 1.554 6.255 31 HA CYS 5 HA CYS 5 6.737 1.617 4.979 32 HB2 CYS 5 2HB CYS 5 8.456 -0.275 5.064 33 HB3 CYS 5 3HB CYS 5 7.612 -0.830 6.506 34 H ALA 6 HN ALA 6 4.599 0.969 5.454 35 HA ALA 6 HA ALA 6 3.839 1.476 8.237 36 HB1 ALA 6 1HB ALA 6 2.837 2.832 6.386 37 HB2 ALA 6 2HB ALA 6 2.027 1.365 5.835 38 HB3 ALA 6 3HB ALA 6 1.666 2.027 7.429 39 H ARG 7 HN ARG 7 4.780 -1.133 6.818 40 HA ARG 7 HA ARG 7 2.760 -2.822 8.106 41 HB2 ARG 7 2HB ARG 7 3.924 -3.413 5.380 42 HB3 ARG 7 3HB ARG 7 2.744 -4.383 6.251 43 HG2 ARG 7 2HG ARG 7 2.235 -1.555 5.367 44 HG3 ARG 7 3HG ARG 7 1.819 -2.973 4.404 45 HD2 ARG 7 2HD ARG 7 0.741 -2.178 7.098 46 HD3 ARG 7 3HD ARG 7 -0.142 -2.337 5.581 47 HE ARG 7 HE ARG 7 0.769 -4.825 5.937 48 HH11 ARG 7 1HH1 ARG 7 -0.817 -2.619 8.115 49 HH12 ARG 7 2HH1 ARG 7 -1.574 -3.872 9.041 50 HH21 ARG 7 1HH2 ARG 7 -0.223 -6.484 7.149 51 HH22 ARG 7 2HH2 ARG 7 -1.234 -6.070 8.491 52 H CYS 8 HN CYS 8 6.007 -2.501 6.771 53 HA CYS 8 HA CYS 8 6.887 -4.688 8.541 54 HB2 CYS 8 2HB CYS 8 8.703 -5.117 7.010 55 HB3 CYS 8 3HB CYS 8 7.195 -5.111 6.102 56 H GLN 9 HN GLN 9 6.873 -1.400 8.187 57 HA GLN 9 HA GLN 9 8.104 0.329 9.021 58 HB2 GLN 9 2HB GLN 9 8.209 -1.835 11.035 59 HB3 GLN 9 3HB GLN 9 9.376 -0.535 11.243 60 HG2 GLN 9 2HG GLN 9 6.622 0.331 10.707 61 HG3 GLN 9 3HG GLN 9 6.867 -0.515 12.234 62 HE21 GLN 9 1HE2 GLN 9 7.057 2.421 10.642 63 HE22 GLN 9 2HE2 GLN 9 7.961 3.300 11.821 64 H GLU 10 HN GLU 10 9.420 -0.431 6.936 65 HA GLU 10 HA GLU 10 12.206 -0.896 7.771 66 HB2 GLU 10 2HB GLU 10 10.689 -1.614 5.289 67 HB3 GLU 10 3HB GLU 10 12.432 -1.398 5.210 68 HG2 GLU 10 2HG GLU 10 12.716 -3.111 6.933 69 HG3 GLU 10 3HG GLU 10 10.969 -3.335 6.990 70 H SER 11 HN SER 11 13.875 0.288 6.663 71 HA SER 11 HA SER 11 13.323 3.049 6.470 72 HB2 SER 11 2HB SER 11 15.737 2.909 5.308 73 HB3 SER 11 3HB SER 11 15.516 2.757 7.051 74 HG SER 11 HG SER 11 16.805 1.068 6.228 75 H LEU 12 HN LEU 12 12.694 4.273 4.814 76 HA LEU 12 HA LEU 12 12.342 3.007 2.207 77 HB2 LEU 12 2HB LEU 12 11.255 5.497 3.481 78 HB3 LEU 12 3HB LEU 12 11.110 5.215 1.747 79 HG LEU 12 HG LEU 12 9.127 4.616 3.278 80 HD11 LEU 12 1HD1 LEU 12 10.290 2.816 1.175 81 HD12 LEU 12 2HD1 LEU 12 9.011 4.019 1.013 82 HD13 LEU 12 3HD1 LEU 12 8.706 2.523 1.895 83 HD21 LEU 12 1HD2 LEU 12 10.675 2.069 3.644 84 HD22 LEU 12 2HD2 LEU 12 9.162 2.559 4.405 85 HD23 LEU 12 3HD2 LEU 12 10.673 3.347 4.859 86 H GLY 13 HN GLY 13 14.854 4.371 3.555 87 HA2 GLY 13 1HA GLY 13 15.774 6.576 2.343 88 HA3 GLY 13 2HA GLY 13 16.793 5.159 2.546 89 H ARG 14 HN ARG 14 17.171 3.791 0.796 90 HA ARG 14 HA ARG 14 16.976 5.069 -1.771 91 HB2 ARG 14 2HB ARG 14 18.392 3.355 -2.572 92 HB3 ARG 14 3HB ARG 14 18.939 3.686 -0.934 93 HG2 ARG 14 2HG ARG 14 18.647 1.568 -0.371 94 HG3 ARG 14 3HG ARG 14 16.952 1.639 -0.856 95 HD2 ARG 14 2HD ARG 14 17.344 0.637 -2.835 96 HD3 ARG 14 3HD ARG 14 18.879 1.474 -3.069 97 HE ARG 14 HE ARG 14 19.906 -0.404 -2.306 98 HH11 ARG 14 1HH1 ARG 14 16.696 -0.300 -0.964 99 HH12 ARG 14 2HH1 ARG 14 16.850 -1.818 -0.142 100 HH21 ARG 14 1HH2 ARG 14 20.121 -2.403 -1.230 101 HH22 ARG 14 2HH2 ARG 14 18.798 -3.013 -0.295 102 H LEU 15 HN LEU 15 14.429 4.698 -0.939 103 HA LEU 15 HA LEU 15 13.472 2.578 -2.740 104 HB2 LEU 15 2HB LEU 15 13.223 2.027 -0.292 105 HB3 LEU 15 3HB LEU 15 12.096 3.378 -0.185 106 HG LEU 15 HG LEU 15 10.430 2.252 -1.266 107 HD11 LEU 15 1HD1 LEU 15 11.509 1.874 -3.353 108 HD12 LEU 15 2HD1 LEU 15 10.852 0.332 -2.810 109 HD13 LEU 15 3HD1 LEU 15 12.577 0.660 -2.649 110 HD21 LEU 15 1HD2 LEU 15 10.397 0.850 0.495 111 HD22 LEU 15 2HD2 LEU 15 12.106 0.440 0.339 112 HD23 LEU 15 3HD2 LEU 15 10.911 -0.342 -0.698 113 H SER 16 HN SER 16 13.590 5.814 -2.074 114 HA SER 16 HA SER 16 12.441 7.652 -2.774 115 HB2 SER 16 2HB SER 16 11.685 5.653 -4.907 116 HB3 SER 16 3HB SER 16 11.213 7.350 -4.986 117 HG SER 16 HG SER 16 13.895 6.803 -4.494 118 HA PRO 17 HA PRO 17 8.573 6.286 -0.642 119 HB2 PRO 17 2HB PRO 17 8.623 8.281 1.198 120 HB3 PRO 17 3HB PRO 17 9.493 6.757 1.410 121 HG2 PRO 17 2HG PRO 17 10.522 9.412 0.487 122 HG3 PRO 17 3HG PRO 17 11.253 8.260 1.619 123 HD2 PRO 17 2HD PRO 17 12.035 8.456 -0.966 124 HD3 PRO 17 3HD PRO 17 12.072 6.923 -0.072 125 H LYS 18 HN LYS 18 9.537 8.757 -2.616 126 HA LYS 18 HA LYS 18 7.337 10.565 -2.257 127 HB2 LYS 18 2HB LYS 18 8.750 10.554 -4.850 128 HB3 LYS 18 3HB LYS 18 8.394 11.892 -3.766 129 HG2 LYS 18 2HG LYS 18 10.682 9.960 -3.662 130 HG3 LYS 18 3HG LYS 18 10.723 11.721 -3.775 131 HD2 LYS 18 2HD LYS 18 9.330 11.267 -1.439 132 HD3 LYS 18 3HD LYS 18 10.559 9.999 -1.430 133 HE2 LYS 18 2HE LYS 18 10.986 12.974 -1.647 134 HE3 LYS 18 3HE LYS 18 11.460 11.916 -0.319 135 HZ1 LYS 18 1HZ LYS 18 13.334 12.474 -1.746 136 HZ2 LYS 18 2HZ LYS 18 12.547 11.796 -3.080 137 HZ3 LYS 18 3HZ LYS 18 13.017 10.812 -1.786 138 H THR 19 HN THR 19 7.388 7.504 -3.346 139 HA THR 19 HA THR 19 4.915 7.856 -4.820 140 HB THR 19 HB THR 19 5.581 7.235 -6.874 141 HG1 THR 19 1HG THR 19 6.102 5.166 -6.729 142 HG21 THR 19 1HG2 THR 19 7.174 8.992 -6.482 143 HG22 THR 19 2HG2 THR 19 7.976 7.715 -7.397 144 HG23 THR 19 3HG2 THR 19 8.270 7.877 -5.666 145 H ASN 20 HN ASN 20 6.183 6.520 -2.348 146 HA ASN 20 HA ASN 20 5.095 3.823 -2.827 147 HB2 ASN 20 2HB ASN 20 7.325 4.772 -1.038 148 HB3 ASN 20 3HB ASN 20 6.522 3.229 -0.767 149 HD21 ASN 20 1HD2 ASN 20 9.280 4.114 -1.692 150 HD22 ASN 20 2HD2 ASN 20 9.573 3.144 -3.091 151 H THR 21 HN THR 21 3.675 6.299 -2.029 152 HA THR 21 HA THR 21 2.807 5.581 0.685 153 HB THR 21 HB THR 21 2.142 8.094 -0.858 154 HG1 THR 21 1HG THR 21 4.416 7.861 -0.352 155 HG21 THR 21 1HG2 THR 21 0.550 8.063 0.781 156 HG22 THR 21 2HG2 THR 21 1.873 8.786 1.696 157 HG23 THR 21 3HG2 THR 21 1.525 7.065 1.860 158 H CYS 22 HN CYS 22 1.294 4.019 0.495 159 HA CYS 22 HA CYS 22 -0.424 3.383 -1.472 160 HB2 CYS 22 2HB CYS 22 -0.221 2.277 0.792 161 HB3 CYS 22 3HB CYS 22 -1.324 3.503 1.410 162 H ARG 23 HN ARG 23 -2.354 4.048 -2.315 163 HA ARG 23 HA ARG 23 -3.141 6.787 -1.676 164 HB2 ARG 23 2HB ARG 23 -3.918 6.967 -3.815 165 HB3 ARG 23 3HB ARG 23 -2.739 5.687 -4.066 166 HG2 ARG 23 2HG ARG 23 -4.455 4.012 -3.996 167 HG3 ARG 23 3HG ARG 23 -5.667 5.216 -3.553 168 HD2 ARG 23 2HD ARG 23 -5.003 6.376 -5.754 169 HD3 ARG 23 3HD ARG 23 -4.253 4.835 -6.171 170 HE ARG 23 HE ARG 23 -6.959 4.529 -5.311 171 HH11 ARG 23 1HH1 ARG 23 -4.945 5.371 -8.022 172 HH12 ARG 23 2HH1 ARG 23 -6.124 4.912 -9.207 173 HH21 ARG 23 1HH2 ARG 23 -8.518 3.920 -6.861 174 HH22 ARG 23 2HH2 ARG 23 -8.156 4.088 -8.545 175 H GLY 24 HN GLY 24 -3.930 3.858 -0.534 176 HA2 GLY 24 1HA GLY 24 -6.825 4.351 -0.431 177 HA3 GLY 24 2HA GLY 24 -6.028 2.837 -0.029 178 H CYS 25 HN CYS 25 -3.978 4.193 1.594 179 HA CYS 25 HA CYS 25 -5.654 4.951 3.899 180 HB2 CYS 25 2HB CYS 25 -3.717 3.934 5.267 181 HB3 CYS 25 3HB CYS 25 -4.847 2.832 4.487 182 H ASN 26 HN ASN 26 -2.844 5.580 1.978 183 HA ASN 26 HA ASN 26 -1.670 7.549 1.772 184 HB2 ASN 26 2HB ASN 26 -2.757 8.551 4.387 185 HB3 ASN 26 3HB ASN 26 -2.233 9.472 2.982 186 HD21 ASN 26 1HD2 ASN 26 -4.497 10.292 3.889 187 HD22 ASN 26 2HD2 ASN 26 -5.846 9.722 2.972 188 H HIS 27 HN HIS 27 -0.926 5.109 3.247 189 HA HIS 27 HA HIS 27 1.069 6.236 5.096 190 HB2 HIS 27 2HB HIS 27 -0.063 3.434 4.973 191 HB3 HIS 27 3HB HIS 27 1.190 3.970 6.088 192 HD1 HIS 27 1HD HIS 27 0.032 6.572 7.116 193 HD2 HIS 27 2HD HIS 27 -2.237 3.137 6.559 194 HE1 HIS 27 1HE HIS 27 -1.964 6.832 8.624 195 H LEU 28 HN LEU 28 3.171 5.098 5.149 196 HA LEU 28 HA LEU 28 4.186 4.796 2.479 197 HB2 LEU 28 2HB LEU 28 5.399 4.729 5.217 198 HB3 LEU 28 3HB LEU 28 6.334 4.244 3.804 199 HG LEU 28 HG LEU 28 5.221 6.962 4.456 200 HD11 LEU 28 1HD1 LEU 28 7.437 7.660 4.543 201 HD12 LEU 28 2HD1 LEU 28 8.020 6.250 3.659 202 HD13 LEU 28 3HD1 LEU 28 7.475 6.082 5.328 203 HD21 LEU 28 1HD2 LEU 28 4.810 7.131 2.249 204 HD22 LEU 28 2HD2 LEU 28 5.839 5.758 1.841 205 HD23 LEU 28 3HD2 LEU 28 6.558 7.340 2.142 206 H VAL 29 HN VAL 29 4.980 2.969 1.499 207 HA VAL 29 HA VAL 29 5.046 0.442 2.902 208 HB VAL 29 HB VAL 29 3.527 -0.129 0.576 209 HG11 VAL 29 1HG1 VAL 29 2.386 -1.470 2.001 210 HG12 VAL 29 2HG1 VAL 29 3.751 -1.107 3.059 211 HG13 VAL 29 3HG1 VAL 29 2.236 -0.219 3.233 212 HG21 VAL 29 1HG2 VAL 29 1.468 1.074 0.977 213 HG22 VAL 29 2HG2 VAL 29 2.195 1.927 2.339 214 HG23 VAL 29 3HG2 VAL 29 2.778 2.222 0.701 215 H CYS 30 HN CYS 30 6.951 -0.324 2.278 216 HA CYS 30 HA CYS 30 8.469 0.436 0.121 217 HB2 CYS 30 2HB CYS 30 9.783 -1.567 0.466 218 HB3 CYS 30 3HB CYS 30 9.272 -0.941 2.030 219 H ARG 31 HN ARG 31 9.224 -1.341 -1.589 220 HA ARG 31 HA ARG 31 6.919 -1.734 -3.291 221 HB2 ARG 31 2HB ARG 31 8.592 -2.439 -4.977 222 HB3 ARG 31 3HB ARG 31 8.938 -0.857 -4.294 223 HG2 ARG 31 2HG ARG 31 10.584 -1.927 -2.779 224 HG3 ARG 31 3HG ARG 31 10.293 -3.456 -3.613 225 HD2 ARG 31 2HD ARG 31 11.344 -2.766 -5.531 226 HD3 ARG 31 3HD ARG 31 10.998 -1.063 -5.236 227 HE ARG 31 HE ARG 31 12.731 -1.749 -3.249 228 HH11 ARG 31 1HH1 ARG 31 12.784 -1.949 -6.724 229 HH12 ARG 31 2HH1 ARG 31 14.504 -1.774 -6.838 230 HH21 ARG 31 1HH2 ARG 31 14.996 -1.518 -3.385 231 HH22 ARG 31 2HH2 ARG 31 15.761 -1.529 -4.939 232 H ASP 32 HN ASP 32 7.444 -3.385 -0.809 233 HA ASP 32 HA ASP 32 7.242 -6.022 -2.108 234 HB2 ASP 32 2HB ASP 32 9.341 -5.436 -0.617 235 HB3 ASP 32 3HB ASP 32 8.228 -5.786 0.704 236 H CYS 33 HN CYS 33 5.962 -3.752 0.145 237 HA CYS 33 HA CYS 33 4.045 -5.695 1.201 238 HB2 CYS 33 2HB CYS 33 4.750 -2.868 1.983 239 HB3 CYS 33 3HB CYS 33 3.351 -3.706 2.644 240 H ARG 34 HN ARG 34 4.190 -4.195 -1.549 241 HA ARG 34 HA ARG 34 1.453 -3.122 -1.520 242 HB2 ARG 34 2HB ARG 34 2.925 -2.777 -4.008 243 HB3 ARG 34 3HB ARG 34 2.118 -1.579 -3.005 244 HG2 ARG 34 2HG ARG 34 4.062 -1.428 -1.568 245 HG3 ARG 34 3HG ARG 34 4.868 -2.694 -2.497 246 HD2 ARG 34 2HD ARG 34 3.922 -0.117 -3.726 247 HD3 ARG 34 3HD ARG 34 5.531 -0.308 -3.030 248 HE ARG 34 HE ARG 34 5.341 -2.379 -4.770 249 HH11 ARG 34 1HH1 ARG 34 4.862 1.058 -5.051 250 HH12 ARG 34 2HH1 ARG 34 5.347 1.122 -6.713 251 HH21 ARG 34 1HH2 ARG 34 5.981 -2.307 -6.958 252 HH22 ARG 34 2HH2 ARG 34 5.982 -0.794 -7.797 253 H ILE 35 HN ILE 35 -0.007 -3.707 -3.215 254 HA ILE 35 HA ILE 35 0.580 -6.346 -4.393 255 HB ILE 35 HB ILE 35 -1.900 -5.277 -3.119 256 HG12 ILE 35 2HG1 ILE 35 -1.964 -7.722 -2.372 257 HG13 ILE 35 3HG1 ILE 35 -0.361 -7.870 -3.083 258 HG21 ILE 35 1HG2 ILE 35 -2.885 -5.785 -5.153 259 HG22 ILE 35 2HG2 ILE 35 -1.783 -7.125 -5.466 260 HG23 ILE 35 3HG2 ILE 35 -3.057 -7.295 -4.258 261 HD11 ILE 35 1HD1 ILE 35 -0.837 -5.681 -1.138 262 HD12 ILE 35 2HD1 ILE 35 -0.695 -7.333 -0.536 263 HD13 ILE 35 3HD1 ILE 35 0.623 -6.614 -1.461 264 H GLN 36 HN GLN 36 1.036 -6.023 -6.478 265 HA GLN 36 HA GLN 36 0.329 -3.888 -8.072 266 HB2 GLN 36 2HB GLN 36 1.391 -6.572 -8.495 267 HB3 GLN 36 3HB GLN 36 0.432 -6.003 -9.855 268 HG2 GLN 36 2HG GLN 36 2.912 -4.793 -8.683 269 HG3 GLN 36 3HG GLN 36 2.639 -5.374 -10.325 270 HE21 GLN 36 1HE2 GLN 36 0.126 -4.175 -10.741 271 HE22 GLN 36 2HE2 GLN 36 0.359 -2.468 -10.855 272 H GLU 37 HN GLU 37 -1.665 -3.153 -8.412 273 HA GLU 37 HA GLU 37 -3.951 -4.897 -8.449 274 HB2 GLU 37 2HB GLU 37 -3.653 -1.936 -8.963 275 HB3 GLU 37 3HB GLU 37 -5.196 -2.777 -8.974 276 HG2 GLU 37 2HG GLU 37 -3.321 -2.625 -6.625 277 HG3 GLU 37 3HG GLU 37 -4.755 -1.626 -6.854 278 H SER 38 HN SER 38 -1.824 -3.497 -10.784 279 HA SER 38 HA SER 38 -1.644 -3.760 -13.038 280 HB2 SER 38 2HB SER 38 -2.408 -6.153 -12.339 281 HB3 SER 38 3HB SER 38 -3.956 -5.679 -13.041 282 HG SER 38 HG SER 38 -1.592 -5.279 -14.502 283 H ASN 39 HN ASN 39 -3.994 -2.242 -11.540 284 HA ASN 39 HA ASN 39 -5.651 -1.716 -13.901 285 HB2 ASN 39 2HB ASN 39 -7.353 -1.091 -12.496 286 HB3 ASN 39 3HB ASN 39 -6.498 -2.195 -11.424 287 HD21 ASN 39 1HD2 ASN 39 -7.627 0.950 -11.883 288 HD22 ASN 39 2HD2 ASN 39 -6.906 1.677 -10.491 289 H GLY 40 HN GLY 40 -2.843 -0.634 -12.822 290 HA2 GLY 40 1HA GLY 40 -1.946 1.323 -14.002 291 HA3 GLY 40 2HA GLY 40 -3.435 2.158 -13.587 292 H THR 41 HN THR 41 -3.098 0.640 -10.876 293 HA THR 41 HA THR 41 -0.987 2.327 -9.734 294 HB THR 41 HB THR 41 -3.306 3.393 -9.501 295 HG1 THR 41 1HG THR 41 -1.626 4.093 -8.190 296 HG21 THR 41 1HG2 THR 41 -4.910 2.470 -8.171 297 HG22 THR 41 2HG2 THR 41 -3.739 1.635 -7.150 298 HG23 THR 41 3HG2 THR 41 -4.153 0.980 -8.734 299 H TRP 42 HN TRP 42 -1.657 1.693 -7.033 300 HA TRP 42 HA TRP 42 -1.643 -1.197 -6.822 301 HB2 TRP 42 2HB TRP 42 0.500 -1.268 -5.597 302 HB3 TRP 42 3HB TRP 42 0.710 -0.740 -7.264 303 HD1 TRP 42 1HD TRP 42 1.667 1.675 -7.668 304 HE1 TRP 42 1HE TRP 42 2.655 3.469 -6.110 305 HE3 TRP 42 3HE TRP 42 0.240 -0.284 -3.166 306 HZ2 TRP 42 2HZ TRP 42 2.810 3.985 -3.339 307 HZ3 TRP 42 3HZ TRP 42 0.847 0.922 -1.110 308 HH2 TRP 42 2HH TRP 42 2.107 3.012 -1.197 309 H ARG 43 HN ARG 43 -1.702 -1.930 -4.567 310 HA ARG 43 HA ARG 43 -2.376 0.115 -2.596 311 HB2 ARG 43 2HB ARG 43 -4.249 -2.024 -3.577 312 HB3 ARG 43 3HB ARG 43 -4.406 -1.346 -1.962 313 HG2 ARG 43 2HG ARG 43 -4.225 0.584 -4.189 314 HG3 ARG 43 3HG ARG 43 -5.697 -0.382 -4.089 315 HD2 ARG 43 2HD ARG 43 -5.152 0.468 -1.474 316 HD3 ARG 43 3HD ARG 43 -4.878 1.872 -2.504 317 HE ARG 43 HE ARG 43 -7.140 2.049 -2.612 318 HH11 ARG 43 1HH1 ARG 43 -6.330 -1.324 -2.313 319 HH12 ARG 43 2HH1 ARG 43 -7.976 -1.858 -2.364 320 HH21 ARG 43 1HH2 ARG 43 -9.313 1.357 -2.680 321 HH22 ARG 43 2HH2 ARG 43 -9.673 -0.332 -2.574 322 H CYS 44 HN CYS 44 -1.653 -0.380 -0.614 323 HA CYS 44 HA CYS 44 0.151 -2.359 -0.090 324 HB2 CYS 44 2HB CYS 44 -0.176 -1.923 2.262 325 HB3 CYS 44 3HB CYS 44 -0.335 -0.406 1.383 326 H LYS 45 HN LYS 45 -0.096 -4.168 1.561 327 HA LYS 45 HA LYS 45 -1.939 -6.075 0.528 328 HB2 LYS 45 2HB LYS 45 -0.616 -6.600 3.129 329 HB3 LYS 45 3HB LYS 45 -0.753 -7.627 1.708 330 HG2 LYS 45 2HG LYS 45 0.900 -5.926 0.647 331 HG3 LYS 45 3HG LYS 45 1.251 -5.504 2.325 332 HD2 LYS 45 2HD LYS 45 2.826 -7.152 1.830 333 HD3 LYS 45 3HD LYS 45 1.554 -8.037 2.675 334 HE2 LYS 45 2HE LYS 45 0.601 -8.602 0.415 335 HE3 LYS 45 3HE LYS 45 2.068 -7.925 -0.291 336 HZ1 LYS 45 1HZ LYS 45 3.234 -9.561 1.315 337 HZ2 LYS 45 2HZ LYS 45 2.579 -10.147 -0.130 338 HZ3 LYS 45 3HZ LYS 45 1.744 -10.362 1.326 339 H VAL 46 HN VAL 46 -2.365 -3.590 2.676 340 HA VAL 46 HA VAL 46 -4.364 -4.997 4.290 341 HB VAL 46 HB VAL 46 -3.508 -2.122 4.592 342 HG11 VAL 46 1HG1 VAL 46 -5.403 -3.848 5.914 343 HG12 VAL 46 2HG1 VAL 46 -4.196 -3.242 7.050 344 HG13 VAL 46 3HG1 VAL 46 -5.151 -2.111 6.090 345 HG21 VAL 46 1HG2 VAL 46 -1.950 -2.858 6.310 346 HG22 VAL 46 2HG2 VAL 46 -2.363 -4.542 5.986 347 HG23 VAL 46 3HG2 VAL 46 -1.541 -3.583 4.755 348 H CYS 47 HN CYS 47 -4.079 -2.890 1.608 349 HA CYS 47 HA CYS 47 -6.904 -2.107 1.804 350 HB2 CYS 47 2HB CYS 47 -4.578 -0.987 0.250 351 HB3 CYS 47 3HB CYS 47 -6.242 -0.563 -0.141 352 H ALA 48 HN ALA 48 -4.602 -3.894 -0.111 353 HA ALA 48 HA ALA 48 -6.496 -4.358 -2.261 354 HB1 ALA 48 1HB ALA 48 -4.693 -5.692 -3.263 355 HB2 ALA 48 2HB ALA 48 -4.155 -4.069 -2.829 356 HB3 ALA 48 3HB ALA 48 -3.719 -5.444 -1.814 357 H LYS 49 HN LYS 49 -5.579 -5.815 0.697 358 HA LYS 49 HA LYS 49 -7.240 -8.152 0.049 359 HB2 LYS 49 2HB LYS 49 -4.541 -8.138 1.390 360 HB3 LYS 49 3HB LYS 49 -5.665 -9.479 1.560 361 HG2 LYS 49 2HG LYS 49 -5.460 -10.106 -0.653 362 HG3 LYS 49 3HG LYS 49 -4.891 -8.513 -1.158 363 HD2 LYS 49 2HD LYS 49 -3.016 -9.974 -1.231 364 HD3 LYS 49 3HD LYS 49 -2.810 -8.946 0.189 365 HE2 LYS 49 2HE LYS 49 -4.277 -11.195 1.032 366 HE3 LYS 49 3HE LYS 49 -2.966 -11.805 0.022 367 HZ1 LYS 49 1HZ LYS 49 -2.862 -10.565 2.629 368 HZ2 LYS 49 2HZ LYS 49 -1.700 -9.992 1.542 369 HZ3 LYS 49 3HZ LYS 49 -1.783 -11.644 1.900 370 H GLU 50 HN GLU 50 -8.599 -6.319 1.180 371 HA GLU 50 HA GLU 50 -9.493 -7.285 3.607 372 HB2 GLU 50 2HB GLU 50 -7.903 -6.606 5.043 373 HB3 GLU 50 3HB GLU 50 -7.175 -5.529 3.860 374 HG2 GLU 50 2HG GLU 50 -7.956 -4.321 5.825 375 HG3 GLU 50 3HG GLU 50 -8.812 -3.817 4.369 376 H ILE 51 HN ILE 51 -8.847 -4.157 2.036 377 HA ILE 51 HA ILE 51 -10.203 -2.292 1.867 378 HB ILE 51 HB ILE 51 -10.744 -3.328 -0.173 379 HG12 ILE 51 2HG1 ILE 51 -12.956 -2.601 -0.587 380 HG13 ILE 51 3HG1 ILE 51 -13.475 -2.980 1.052 381 HG21 ILE 51 1HG2 ILE 51 -10.989 -5.606 0.666 382 HG22 ILE 51 2HG2 ILE 51 -12.561 -5.192 1.349 383 HG23 ILE 51 3HG2 ILE 51 -12.327 -5.175 -0.399 384 HD11 ILE 51 1HD1 ILE 51 -11.341 -0.972 0.837 385 HD12 ILE 51 2HD1 ILE 51 -12.910 -0.503 0.181 386 HD13 ILE 51 3HD1 ILE 51 -12.774 -1.011 1.864 387 H GLU 52 HN GLU 52 -10.673 -1.706 3.991 388 HA GLU 52 HA GLU 52 -12.873 -2.909 5.407 389 HB2 GLU 52 2HB GLU 52 -10.796 -1.934 6.483 390 HB3 GLU 52 3HB GLU 52 -11.441 -0.344 6.099 391 HG2 GLU 52 2HG GLU 52 -13.012 -0.434 7.715 392 HG3 GLU 52 3HG GLU 52 -13.248 -2.172 7.544 393 H LEU 53 HN LEU 53 -12.244 0.283 3.963 394 HA LEU 53 HA LEU 53 -14.856 1.281 4.455 395 HB2 LEU 53 2HB LEU 53 -12.547 2.138 2.767 396 HB3 LEU 53 3HB LEU 53 -14.112 2.919 2.564 397 HG LEU 53 HG LEU 53 -13.670 3.015 5.298 398 HD11 LEU 53 1HD1 LEU 53 -11.388 2.373 5.141 399 HD12 LEU 53 2HD1 LEU 53 -11.421 4.115 5.409 400 HD13 LEU 53 3HD1 LEU 53 -11.103 3.478 3.796 401 HD21 LEU 53 1HD2 LEU 53 -13.917 5.252 4.992 402 HD22 LEU 53 2HD2 LEU 53 -14.445 4.711 3.398 403 HD23 LEU 53 3HD2 LEU 53 -12.800 5.305 3.629 Start of MODEL 16 1 H1 SER 1 HN SER 1 10.101 12.153 12.329 2 HA SER 1 HA SER 1 8.600 10.012 11.047 3 HB2 SER 1 2HB SER 1 8.172 11.390 9.026 4 HB3 SER 1 3HB SER 1 7.312 11.990 10.444 5 HG SER 1 HG SER 1 8.247 13.753 9.531 6 H ASP 2 HN ASP 2 10.063 8.683 10.235 7 HA ASP 2 HA ASP 2 12.559 9.821 9.158 8 HB2 ASP 2 2HB ASP 2 12.042 7.382 10.808 9 HB3 ASP 2 3HB ASP 2 13.376 7.361 9.658 10 H ARG 3 HN ARG 3 9.717 8.293 8.365 11 HA ARG 3 HA ARG 3 8.972 7.627 6.292 12 HB2 ARG 3 2HB ARG 3 11.774 7.291 5.286 13 HB3 ARG 3 3HB ARG 3 10.320 7.722 4.398 14 HG2 ARG 3 2HG ARG 3 10.820 9.743 6.335 15 HG3 ARG 3 3HG ARG 3 12.311 9.427 5.445 16 HD2 ARG 3 2HD ARG 3 11.062 9.691 3.330 17 HD3 ARG 3 3HD ARG 3 9.618 10.091 4.260 18 HE ARG 3 HE ARG 3 11.570 11.844 5.101 19 HH11 ARG 3 1HH1 ARG 3 9.989 11.057 2.101 20 HH12 ARG 3 2HH1 ARG 3 10.148 12.654 1.447 21 HH21 ARG 3 1HH2 ARG 3 11.786 13.950 4.251 22 HH22 ARG 3 2HH2 ARG 3 11.170 14.298 2.672 23 H THR 4 HN THR 4 8.518 5.796 7.796 24 HA THR 4 HA THR 4 10.038 3.397 6.999 25 HB THR 4 HB THR 4 8.464 3.042 9.415 26 HG1 THR 4 1HG THR 4 10.688 4.712 9.820 27 HG21 THR 4 1HG2 THR 4 10.877 2.444 10.213 28 HG22 THR 4 2HG2 THR 4 11.274 2.580 8.499 29 HG23 THR 4 3HG2 THR 4 10.064 1.414 9.035 30 H CYS 5 HN CYS 5 8.910 1.577 6.396 31 HA CYS 5 HA CYS 5 6.513 1.826 5.075 32 HB2 CYS 5 2HB CYS 5 8.136 -0.091 4.910 33 HB3 CYS 5 3HB CYS 5 7.457 -0.716 6.411 34 H ALA 6 HN ALA 6 4.371 1.506 5.545 35 HA ALA 6 HA ALA 6 3.670 1.641 8.378 36 HB1 ALA 6 1HB ALA 6 1.888 2.025 5.977 37 HB2 ALA 6 2HB ALA 6 1.511 2.417 7.655 38 HB3 ALA 6 3HB ALA 6 2.760 3.321 6.798 39 H ARG 7 HN ARG 7 4.430 -0.843 6.730 40 HA ARG 7 HA ARG 7 2.163 -2.474 7.649 41 HB2 ARG 7 2HB ARG 7 3.702 -3.164 5.159 42 HB3 ARG 7 3HB ARG 7 2.146 -3.784 5.695 43 HG2 ARG 7 2HG ARG 7 2.648 -0.958 4.788 44 HG3 ARG 7 3HG ARG 7 1.977 -2.243 3.780 45 HD2 ARG 7 2HD ARG 7 -0.032 -2.229 4.862 46 HD3 ARG 7 3HD ARG 7 0.673 -1.712 6.393 47 HE ARG 7 HE ARG 7 0.708 0.274 4.292 48 HH11 ARG 7 1HH1 ARG 7 -1.010 -1.055 7.013 49 HH12 ARG 7 2HH1 ARG 7 -1.930 0.385 7.300 50 HH21 ARG 7 1HH2 ARG 7 -0.497 2.174 4.661 51 HH22 ARG 7 2HH2 ARG 7 -1.639 2.221 5.962 52 H CYS 8 HN CYS 8 5.592 -2.283 6.872 53 HA CYS 8 HA CYS 8 6.049 -4.624 8.605 54 HB2 CYS 8 2HB CYS 8 8.023 -5.147 7.304 55 HB3 CYS 8 3HB CYS 8 6.640 -5.016 6.221 56 H GLN 9 HN GLN 9 6.536 -1.311 8.173 57 HA GLN 9 HA GLN 9 7.689 0.269 9.332 58 HB2 GLN 9 2HB GLN 9 7.624 -2.029 11.235 59 HB3 GLN 9 3HB GLN 9 8.664 -0.661 11.613 60 HG2 GLN 9 2HG GLN 9 6.053 0.244 10.820 61 HG3 GLN 9 3HG GLN 9 5.938 -0.924 12.135 62 HE21 GLN 9 1HE2 GLN 9 8.186 1.686 11.271 63 HE22 GLN 9 2HE2 GLN 9 8.135 2.470 12.810 64 H GLU 10 HN GLU 10 9.122 -0.539 7.311 65 HA GLU 10 HA GLU 10 11.807 -1.127 8.372 66 HB2 GLU 10 2HB GLU 10 10.433 -1.897 5.838 67 HB3 GLU 10 3HB GLU 10 12.175 -1.656 5.803 68 HG2 GLU 10 2HG GLU 10 10.925 -3.429 7.859 69 HG3 GLU 10 3HG GLU 10 11.233 -4.018 6.227 70 H SER 11 HN SER 11 13.611 -0.104 7.206 71 HA SER 11 HA SER 11 13.220 2.696 6.994 72 HB2 SER 11 2HB SER 11 15.674 2.317 5.879 73 HB3 SER 11 3HB SER 11 15.379 2.385 7.616 74 HG SER 11 HG SER 11 16.028 0.234 6.008 75 H LEU 12 HN LEU 12 12.704 3.920 5.302 76 HA LEU 12 HA LEU 12 12.226 2.664 2.741 77 HB2 LEU 12 2HB LEU 12 11.686 5.380 3.888 78 HB3 LEU 12 3HB LEU 12 11.501 5.069 2.163 79 HG LEU 12 HG LEU 12 9.488 4.888 3.919 80 HD11 LEU 12 1HD1 LEU 12 8.514 4.545 1.959 81 HD12 LEU 12 2HD1 LEU 12 8.968 2.844 2.060 82 HD13 LEU 12 3HD1 LEU 12 10.036 3.996 1.257 83 HD21 LEU 12 1HD2 LEU 12 10.686 3.037 5.118 84 HD22 LEU 12 2HD2 LEU 12 10.450 2.045 3.679 85 HD23 LEU 12 3HD2 LEU 12 9.055 2.644 4.575 86 H GLY 13 HN GLY 13 15.002 3.122 3.799 87 HA2 GLY 13 1HA GLY 13 16.262 5.181 2.346 88 HA3 GLY 13 2HA GLY 13 17.054 3.747 2.985 89 H ARG 14 HN ARG 14 17.126 5.311 0.345 90 HA ARG 14 HA ARG 14 17.268 4.892 -1.897 91 HB2 ARG 14 2HB ARG 14 18.412 2.530 -0.508 92 HB3 ARG 14 3HB ARG 14 18.117 2.368 -2.234 93 HG2 ARG 14 2HG ARG 14 19.444 4.862 -1.579 94 HG3 ARG 14 3HG ARG 14 20.356 3.448 -1.046 95 HD2 ARG 14 2HD ARG 14 19.239 3.157 -3.723 96 HD3 ARG 14 3HD ARG 14 20.359 4.511 -3.582 97 HE ARG 14 HE ARG 14 21.059 1.799 -3.702 98 HH11 ARG 14 1HH1 ARG 14 21.838 4.683 -1.913 99 HH12 ARG 14 2HH1 ARG 14 23.462 4.187 -1.568 100 HH21 ARG 14 1HH2 ARG 14 23.195 1.136 -3.254 101 HH22 ARG 14 2HH2 ARG 14 24.233 2.170 -2.332 102 H LEU 15 HN LEU 15 14.702 4.861 -1.340 103 HA LEU 15 HA LEU 15 13.668 2.551 -2.838 104 HB2 LEU 15 2HB LEU 15 12.757 3.672 -0.243 105 HB3 LEU 15 3HB LEU 15 11.528 3.098 -1.367 106 HG LEU 15 HG LEU 15 13.728 1.501 -0.069 107 HD11 LEU 15 1HD1 LEU 15 12.161 0.717 1.316 108 HD12 LEU 15 2HD1 LEU 15 10.968 0.560 0.027 109 HD13 LEU 15 3HD1 LEU 15 11.212 2.118 0.818 110 HD21 LEU 15 1HD2 LEU 15 12.584 -0.415 -1.325 111 HD22 LEU 15 2HD2 LEU 15 13.682 0.623 -2.234 112 HD23 LEU 15 3HD2 LEU 15 11.937 0.838 -2.384 113 H SER 16 HN SER 16 11.641 5.055 -1.525 114 HA SER 16 HA SER 16 11.628 7.065 -3.316 115 HB2 SER 16 2HB SER 16 11.426 5.845 -5.276 116 HB3 SER 16 3HB SER 16 10.420 4.607 -4.524 117 HG SER 16 HG SER 16 9.675 7.221 -5.316 118 HA PRO 17 HA PRO 17 8.266 6.991 -0.129 119 HB2 PRO 17 2HB PRO 17 8.985 9.349 1.010 120 HB3 PRO 17 3HB PRO 17 9.695 7.800 1.479 121 HG2 PRO 17 2HG PRO 17 10.780 9.902 -0.356 122 HG3 PRO 17 3HG PRO 17 11.619 8.968 0.896 123 HD2 PRO 17 2HD PRO 17 11.781 8.353 -1.737 124 HD3 PRO 17 3HD PRO 17 11.850 7.119 -0.462 125 H LYS 18 HN LYS 18 8.985 8.621 -2.897 126 HA LYS 18 HA LYS 18 6.937 10.682 -2.595 127 HB2 LYS 18 2HB LYS 18 9.133 11.198 -3.679 128 HB3 LYS 18 3HB LYS 18 8.699 10.098 -4.981 129 HG2 LYS 18 2HG LYS 18 6.700 12.164 -4.394 130 HG3 LYS 18 3HG LYS 18 8.244 12.764 -5.002 131 HD2 LYS 18 2HD LYS 18 7.802 10.682 -6.682 132 HD3 LYS 18 3HD LYS 18 6.148 11.204 -6.356 133 HE2 LYS 18 2HE LYS 18 8.100 13.340 -6.943 134 HE3 LYS 18 3HE LYS 18 7.703 12.265 -8.282 135 HZ1 LYS 18 1HZ LYS 18 5.277 12.808 -7.281 136 HZ2 LYS 18 2HZ LYS 18 5.991 13.660 -8.557 137 HZ3 LYS 18 3HZ LYS 18 6.077 14.269 -6.982 138 H THR 19 HN THR 19 7.390 7.550 -3.945 139 HA THR 19 HA THR 19 4.713 7.709 -5.162 140 HB THR 19 HB THR 19 5.363 6.302 -6.979 141 HG1 THR 19 1HG THR 19 8.046 6.164 -6.535 142 HG21 THR 19 1HG2 THR 19 5.864 8.612 -7.388 143 HG22 THR 19 2HG2 THR 19 7.185 7.645 -8.047 144 HG23 THR 19 3HG2 THR 19 7.389 8.487 -6.512 145 H ASN 20 HN ASN 20 6.335 6.498 -2.672 146 HA ASN 20 HA ASN 20 5.144 3.817 -2.801 147 HB2 ASN 20 2HB ASN 20 7.440 4.999 -1.300 148 HB3 ASN 20 3HB ASN 20 6.582 3.638 -0.582 149 HD21 ASN 20 1HD2 ASN 20 9.198 4.371 -2.293 150 HD22 ASN 20 2HD2 ASN 20 9.387 2.932 -3.229 151 H THR 21 HN THR 21 3.561 6.200 -2.344 152 HA THR 21 HA THR 21 2.750 5.830 0.460 153 HB THR 21 HB THR 21 1.958 8.096 -1.374 154 HG1 THR 21 1HG THR 21 3.607 9.258 -0.438 155 HG21 THR 21 1HG2 THR 21 0.390 7.951 0.376 156 HG22 THR 21 2HG2 THR 21 1.535 9.186 0.901 157 HG23 THR 21 3HG2 THR 21 1.629 7.555 1.566 158 H CYS 22 HN CYS 22 1.283 4.225 0.507 159 HA CYS 22 HA CYS 22 -0.401 3.283 -1.389 160 HB2 CYS 22 2HB CYS 22 -0.133 2.387 0.939 161 HB3 CYS 22 3HB CYS 22 -1.227 3.650 1.496 162 H ARG 23 HN ARG 23 -2.398 3.748 -2.234 163 HA ARG 23 HA ARG 23 -3.278 6.509 -1.927 164 HB2 ARG 23 2HB ARG 23 -4.181 6.349 -4.020 165 HB3 ARG 23 3HB ARG 23 -2.956 5.094 -4.153 166 HG2 ARG 23 2HG ARG 23 -4.585 3.380 -3.747 167 HG3 ARG 23 3HG ARG 23 -5.828 4.586 -3.409 168 HD2 ARG 23 2HD ARG 23 -5.197 5.426 -5.822 169 HD3 ARG 23 3HD ARG 23 -4.620 3.770 -6.008 170 HE ARG 23 HE ARG 23 -7.098 3.413 -5.025 171 HH11 ARG 23 1HH1 ARG 23 -5.866 5.338 -7.652 172 HH12 ARG 23 2HH1 ARG 23 -7.319 5.222 -8.590 173 HH21 ARG 23 1HH2 ARG 23 -9.015 3.254 -6.250 174 HH22 ARG 23 2HH2 ARG 23 -9.110 4.038 -7.790 175 H GLY 24 HN GLY 24 -4.081 3.428 -0.771 176 HA2 GLY 24 1HA GLY 24 -6.874 4.183 -0.259 177 HA3 GLY 24 2HA GLY 24 -6.204 2.567 -0.100 178 H CYS 25 HN CYS 25 -3.870 4.212 1.272 179 HA CYS 25 HA CYS 25 -5.182 4.372 3.906 180 HB2 CYS 25 2HB CYS 25 -2.460 3.231 3.246 181 HB3 CYS 25 3HB CYS 25 -3.038 3.531 4.882 182 H ASN 26 HN ASN 26 -2.750 5.610 1.720 183 HA ASN 26 HA ASN 26 -1.876 7.722 1.554 184 HB2 ASN 26 2HB ASN 26 -2.979 8.587 4.190 185 HB3 ASN 26 3HB ASN 26 -2.817 9.495 2.690 186 HD21 ASN 26 1HD2 ASN 26 -4.033 7.411 1.076 187 HD22 ASN 26 2HD2 ASN 26 -5.726 7.463 1.414 188 H HIS 27 HN HIS 27 -0.789 5.400 3.107 189 HA HIS 27 HA HIS 27 1.139 6.890 4.765 190 HB2 HIS 27 2HB HIS 27 0.117 4.062 5.065 191 HB3 HIS 27 3HB HIS 27 1.494 4.701 5.961 192 HD1 HIS 27 1HD HIS 27 0.702 7.186 7.176 193 HD2 HIS 27 2HD HIS 27 -2.096 4.172 6.590 194 HE1 HIS 27 1HE HIS 27 -1.160 7.675 8.793 195 H LEU 28 HN LEU 28 3.270 5.597 4.983 196 HA LEU 28 HA LEU 28 4.299 5.250 2.318 197 HB2 LEU 28 2HB LEU 28 5.504 5.195 5.061 198 HB3 LEU 28 3HB LEU 28 6.435 4.705 3.647 199 HG LEU 28 HG LEU 28 5.294 7.430 4.243 200 HD11 LEU 28 1HD1 LEU 28 8.094 7.196 3.519 201 HD12 LEU 28 2HD1 LEU 28 7.690 6.264 4.961 202 HD13 LEU 28 3HD1 LEU 28 7.344 7.992 4.903 203 HD21 LEU 28 1HD2 LEU 28 6.343 6.251 1.704 204 HD22 LEU 28 2HD2 LEU 28 6.595 7.960 2.058 205 HD23 LEU 28 3HD2 LEU 28 4.957 7.311 1.960 206 H VAL 29 HN VAL 29 5.351 3.386 1.513 207 HA VAL 29 HA VAL 29 5.176 0.888 2.942 208 HB VAL 29 HB VAL 29 3.914 0.313 0.461 209 HG11 VAL 29 1HG1 VAL 29 3.878 -0.779 2.832 210 HG12 VAL 29 2HG1 VAL 29 2.478 0.267 3.077 211 HG13 VAL 29 3HG1 VAL 29 2.476 -0.919 1.772 212 HG21 VAL 29 1HG2 VAL 29 2.473 2.424 2.063 213 HG22 VAL 29 2HG2 VAL 29 3.162 2.642 0.454 214 HG23 VAL 29 3HG2 VAL 29 1.814 1.532 0.692 215 H CYS 30 HN CYS 30 7.011 -0.117 2.489 216 HA CYS 30 HA CYS 30 8.843 0.626 0.556 217 HB2 CYS 30 2HB CYS 30 10.004 -1.441 1.033 218 HB3 CYS 30 3HB CYS 30 9.337 -0.804 2.532 219 H ARG 31 HN ARG 31 9.704 -1.083 -1.119 220 HA ARG 31 HA ARG 31 7.571 -1.414 -3.044 221 HB2 ARG 31 2HB ARG 31 9.402 -2.097 -4.577 222 HB3 ARG 31 3HB ARG 31 9.670 -0.524 -3.837 223 HG2 ARG 31 2HG ARG 31 11.202 -1.546 -2.226 224 HG3 ARG 31 3HG ARG 31 10.945 -3.116 -2.990 225 HD2 ARG 31 2HD ARG 31 11.614 -1.416 -5.085 226 HD3 ARG 31 3HD ARG 31 12.686 -0.939 -3.768 227 HE ARG 31 HE ARG 31 12.964 -3.593 -3.741 228 HH11 ARG 31 1HH1 ARG 31 13.013 -1.312 -6.369 229 HH12 ARG 31 2HH1 ARG 31 14.102 -2.251 -7.336 230 HH21 ARG 31 1HH2 ARG 31 14.399 -4.838 -5.003 231 HH22 ARG 31 2HH2 ARG 31 14.889 -4.257 -6.559 232 H ASP 32 HN ASP 32 7.871 -3.137 -0.565 233 HA ASP 32 HA ASP 32 7.753 -5.732 -1.954 234 HB2 ASP 32 2HB ASP 32 9.773 -5.302 -0.386 235 HB3 ASP 32 3HB ASP 32 8.604 -5.485 0.919 236 H CYS 33 HN CYS 33 6.181 -3.450 -0.035 237 HA CYS 33 HA CYS 33 4.234 -5.425 0.946 238 HB2 CYS 33 2HB CYS 33 4.946 -2.641 1.840 239 HB3 CYS 33 3HB CYS 33 3.419 -3.383 2.305 240 H ARG 34 HN ARG 34 4.647 -3.791 -1.739 241 HA ARG 34 HA ARG 34 1.934 -2.700 -1.940 242 HB2 ARG 34 2HB ARG 34 3.622 -2.464 -4.311 243 HB3 ARG 34 3HB ARG 34 2.745 -1.223 -3.426 244 HG2 ARG 34 2HG ARG 34 4.559 -1.135 -1.776 245 HG3 ARG 34 3HG ARG 34 5.442 -2.350 -2.703 246 HD2 ARG 34 2HD ARG 34 4.564 0.308 -3.819 247 HD3 ARG 34 3HD ARG 34 6.154 0.017 -3.114 248 HE ARG 34 HE ARG 34 6.747 -1.185 -4.993 249 HH11 ARG 34 1HH1 ARG 34 3.344 -0.455 -5.058 250 HH12 ARG 34 2HH1 ARG 34 3.138 -0.940 -6.708 251 HH21 ARG 34 1HH2 ARG 34 6.489 -1.825 -7.166 252 HH22 ARG 34 2HH2 ARG 34 4.928 -1.719 -7.907 253 H ILE 35 HN ILE 35 0.408 -3.522 -3.291 254 HA ILE 35 HA ILE 35 1.109 -6.017 -4.696 255 HB ILE 35 HB ILE 35 -1.394 -5.207 -3.250 256 HG12 ILE 35 2HG1 ILE 35 -1.123 -7.432 -2.227 257 HG13 ILE 35 3HG1 ILE 35 0.293 -7.720 -3.234 258 HG21 ILE 35 1HG2 ILE 35 -2.421 -5.943 -5.171 259 HG22 ILE 35 2HG2 ILE 35 -1.125 -7.073 -5.559 260 HG23 ILE 35 3HG2 ILE 35 -2.267 -7.450 -4.269 261 HD11 ILE 35 1HD1 ILE 35 1.611 -6.305 -2.018 262 HD12 ILE 35 2HD1 ILE 35 0.248 -5.332 -1.464 263 HD13 ILE 35 3HD1 ILE 35 0.539 -6.922 -0.762 264 H GLN 36 HN GLN 36 1.228 -5.712 -6.816 265 HA GLN 36 HA GLN 36 0.301 -3.531 -8.246 266 HB2 GLN 36 2HB GLN 36 1.448 -6.120 -8.854 267 HB3 GLN 36 3HB GLN 36 0.249 -5.662 -10.057 268 HG2 GLN 36 2HG GLN 36 2.327 -3.692 -9.231 269 HG3 GLN 36 3HG GLN 36 2.745 -4.988 -10.351 270 HE21 GLN 36 1HE2 GLN 36 -0.445 -3.630 -10.248 271 HE22 GLN 36 2HE2 GLN 36 -0.360 -2.791 -11.756 272 H GLU 37 HN GLU 37 -1.667 -2.855 -8.749 273 HA GLU 37 HA GLU 37 -3.897 -4.753 -8.598 274 HB2 GLU 37 2HB GLU 37 -3.832 -1.734 -8.552 275 HB3 GLU 37 3HB GLU 37 -5.312 -2.682 -8.564 276 HG2 GLU 37 2HG GLU 37 -3.205 -2.992 -6.449 277 HG3 GLU 37 3HG GLU 37 -4.531 -1.837 -6.321 278 H SER 38 HN SER 38 -5.495 -4.829 -10.231 279 HA SER 38 HA SER 38 -4.420 -4.445 -12.887 280 HB2 SER 38 2HB SER 38 -6.075 -6.332 -11.791 281 HB3 SER 38 3HB SER 38 -7.224 -5.310 -12.657 282 HG SER 38 HG SER 38 -6.536 -6.762 -14.138 283 H ASN 39 HN ASN 39 -4.357 -2.105 -12.814 284 HA ASN 39 HA ASN 39 -6.577 -0.924 -14.103 285 HB2 ASN 39 2HB ASN 39 -6.781 0.867 -12.151 286 HB3 ASN 39 3HB ASN 39 -7.767 -0.590 -12.169 287 HD21 ASN 39 1HD2 ASN 39 -8.017 -0.578 -9.946 288 HD22 ASN 39 2HD2 ASN 39 -6.733 -0.996 -8.869 289 H GLY 40 HN GLY 40 -3.587 -0.527 -12.309 290 HA2 GLY 40 1HA GLY 40 -1.883 0.563 -13.904 291 HA3 GLY 40 2HA GLY 40 -2.999 1.919 -13.840 292 H THR 41 HN THR 41 -3.297 0.697 -10.886 293 HA THR 41 HA THR 41 -1.019 2.230 -9.809 294 HB THR 41 HB THR 41 -3.238 3.367 -9.519 295 HG1 THR 41 1HG THR 41 -2.552 4.102 -7.619 296 HG21 THR 41 1HG2 THR 41 -4.256 2.023 -7.296 297 HG22 THR 41 2HG2 THR 41 -3.926 0.757 -8.478 298 HG23 THR 41 3HG2 THR 41 -4.977 2.108 -8.902 299 H TRP 42 HN TRP 42 -1.538 1.643 -7.102 300 HA TRP 42 HA TRP 42 -1.538 -1.251 -6.846 301 HB2 TRP 42 2HB TRP 42 0.639 -1.288 -5.674 302 HB3 TRP 42 3HB TRP 42 0.798 -0.798 -7.358 303 HD1 TRP 42 1HD TRP 42 1.888 1.515 -7.834 304 HE1 TRP 42 1HE TRP 42 2.853 3.385 -6.352 305 HE3 TRP 42 3HE TRP 42 0.231 -0.118 -3.280 306 HZ2 TRP 42 2HZ TRP 42 2.907 4.077 -3.616 307 HZ3 TRP 42 3HZ TRP 42 0.783 1.205 -1.281 308 HH2 TRP 42 2HH TRP 42 2.093 3.259 -1.447 309 H ARG 43 HN ARG 43 -1.406 -1.924 -4.534 310 HA ARG 43 HA ARG 43 -2.085 0.142 -2.598 311 HB2 ARG 43 2HB ARG 43 -3.971 -1.978 -3.557 312 HB3 ARG 43 3HB ARG 43 -4.046 -1.448 -1.881 313 HG2 ARG 43 2HG ARG 43 -3.967 0.778 -3.742 314 HG3 ARG 43 3HG ARG 43 -5.339 -0.295 -4.021 315 HD2 ARG 43 2HD ARG 43 -4.787 0.390 -1.206 316 HD3 ARG 43 3HD ARG 43 -5.340 1.717 -2.226 317 HE ARG 43 HE ARG 43 -6.872 -0.565 -1.356 318 HH11 ARG 43 1HH1 ARG 43 -6.591 2.014 -3.677 319 HH12 ARG 43 2HH1 ARG 43 -8.277 2.013 -4.078 320 HH21 ARG 43 1HH2 ARG 43 -9.093 -0.577 -1.876 321 HH22 ARG 43 2HH2 ARG 43 -9.699 0.538 -3.052 322 H CYS 44 HN CYS 44 -1.194 -0.280 -0.680 323 HA CYS 44 HA CYS 44 0.648 -2.171 -0.143 324 HB2 CYS 44 2HB CYS 44 0.467 -1.644 2.136 325 HB3 CYS 44 3HB CYS 44 -0.152 -0.210 1.323 326 H LYS 45 HN LYS 45 0.661 -4.117 1.177 327 HA LYS 45 HA LYS 45 -1.025 -6.111 0.230 328 HB2 LYS 45 2HB LYS 45 0.204 -6.405 2.937 329 HB3 LYS 45 3HB LYS 45 0.119 -7.564 1.615 330 HG2 LYS 45 2HG LYS 45 1.706 -5.826 0.436 331 HG3 LYS 45 3HG LYS 45 2.070 -5.378 2.104 332 HD2 LYS 45 2HD LYS 45 3.548 -7.054 2.077 333 HD3 LYS 45 3HD LYS 45 2.154 -8.134 2.155 334 HE2 LYS 45 2HE LYS 45 2.160 -8.477 -0.172 335 HE3 LYS 45 3HE LYS 45 3.222 -7.099 -0.456 336 HZ1 LYS 45 1HZ LYS 45 4.990 -8.326 0.711 337 HZ2 LYS 45 2HZ LYS 45 4.461 -9.123 -0.684 338 HZ3 LYS 45 3HZ LYS 45 3.965 -9.666 0.840 339 H VAL 46 HN VAL 46 -1.294 -4.097 3.101 340 HA VAL 46 HA VAL 46 -3.418 -5.510 4.325 341 HB VAL 46 HB VAL 46 -2.824 -2.563 4.595 342 HG11 VAL 46 1HG1 VAL 46 -3.891 -2.735 6.739 343 HG12 VAL 46 2HG1 VAL 46 -4.984 -3.389 5.518 344 HG13 VAL 46 3HG1 VAL 46 -4.069 -4.480 6.561 345 HG21 VAL 46 1HG2 VAL 46 -0.834 -4.061 4.944 346 HG22 VAL 46 2HG2 VAL 46 -1.287 -3.077 6.335 347 HG23 VAL 46 3HG2 VAL 46 -1.709 -4.789 6.290 348 H CYS 47 HN CYS 47 -3.285 -3.307 1.678 349 HA CYS 47 HA CYS 47 -6.145 -2.746 1.791 350 HB2 CYS 47 2HB CYS 47 -3.833 -1.664 0.242 351 HB3 CYS 47 3HB CYS 47 -5.444 -1.520 -0.453 352 H ALA 48 HN ALA 48 -3.804 -4.145 -0.500 353 HA ALA 48 HA ALA 48 -5.728 -5.050 -2.355 354 HB1 ALA 48 1HB ALA 48 -2.859 -5.732 -1.839 355 HB2 ALA 48 2HB ALA 48 -3.800 -6.632 -3.029 356 HB3 ALA 48 3HB ALA 48 -3.578 -4.893 -3.213 357 H LYS 49 HN LYS 49 -4.741 -6.255 0.698 358 HA LYS 49 HA LYS 49 -6.287 -8.717 0.219 359 HB2 LYS 49 2HB LYS 49 -3.580 -8.618 0.779 360 HB3 LYS 49 3HB LYS 49 -4.303 -8.920 2.353 361 HG2 LYS 49 2HG LYS 49 -4.246 -11.067 1.763 362 HG3 LYS 49 3HG LYS 49 -5.647 -10.686 0.760 363 HD2 LYS 49 2HD LYS 49 -2.901 -10.248 -0.326 364 HD3 LYS 49 3HD LYS 49 -3.562 -11.884 -0.274 365 HE2 LYS 49 2HE LYS 49 -5.653 -10.558 -1.337 366 HE3 LYS 49 3HE LYS 49 -4.323 -9.574 -1.948 367 HZ1 LYS 49 1HZ LYS 49 -4.577 -12.515 -2.284 368 HZ2 LYS 49 2HZ LYS 49 -3.329 -11.551 -2.896 369 HZ3 LYS 49 3HZ LYS 49 -4.907 -11.359 -3.476 370 H GLU 50 HN GLU 50 -7.752 -9.296 1.760 371 HA GLU 50 HA GLU 50 -9.166 -9.094 3.531 372 HB2 GLU 50 2HB GLU 50 -6.911 -9.276 4.742 373 HB3 GLU 50 3HB GLU 50 -7.019 -7.534 4.954 374 HG2 GLU 50 2HG GLU 50 -8.354 -7.775 6.697 375 HG3 GLU 50 3HG GLU 50 -9.478 -8.755 5.757 376 H ILE 51 HN ILE 51 -10.595 -7.738 2.417 377 HA ILE 51 HA ILE 51 -10.303 -4.854 2.905 378 HB ILE 51 HB ILE 51 -10.620 -5.102 0.619 379 HG12 ILE 51 2HG1 ILE 51 -12.833 -4.239 0.127 380 HG13 ILE 51 3HG1 ILE 51 -13.453 -4.861 1.652 381 HG21 ILE 51 1HG2 ILE 51 -12.385 -7.386 1.368 382 HG22 ILE 51 2HG2 ILE 51 -12.588 -6.612 -0.202 383 HG23 ILE 51 3HG2 ILE 51 -11.038 -7.332 0.232 384 HD11 ILE 51 1HD1 ILE 51 -11.287 -3.217 2.314 385 HD12 ILE 51 2HD1 ILE 51 -12.212 -2.350 1.088 386 HD13 ILE 51 3HD1 ILE 51 -13.004 -2.902 2.564 387 H GLU 52 HN GLU 52 -11.373 -4.103 4.603 388 HA GLU 52 HA GLU 52 -13.696 -5.530 5.623 389 HB2 GLU 52 2HB GLU 52 -12.462 -3.034 6.778 390 HB3 GLU 52 3HB GLU 52 -13.469 -4.221 7.595 391 HG2 GLU 52 2HG GLU 52 -11.527 -5.003 8.368 392 HG3 GLU 52 3HG GLU 52 -11.406 -5.773 6.787 393 H LEU 53 HN LEU 53 -15.544 -5.088 4.596 394 HA LEU 53 HA LEU 53 -17.351 -3.940 3.830 395 HB2 LEU 53 2HB LEU 53 -16.708 -2.658 6.061 396 HB3 LEU 53 3HB LEU 53 -16.354 -1.362 4.920 397 HG LEU 53 HG LEU 53 -18.953 -2.518 4.408 398 HD11 LEU 53 1HD1 LEU 53 -19.904 -1.413 6.547 399 HD12 LEU 53 2HD1 LEU 53 -18.296 -1.705 7.210 400 HD13 LEU 53 3HD1 LEU 53 -19.273 -3.057 6.634 401 HD21 LEU 53 1HD2 LEU 53 -19.526 -0.040 4.935 402 HD22 LEU 53 2HD2 LEU 53 -18.572 -0.425 3.503 403 HD23 LEU 53 3HD2 LEU 53 -17.775 0.174 4.959 Start of MODEL 17 1 H1 SER 1 HN SER 1 8.923 13.356 10.061 2 HA SER 1 HA SER 1 8.564 10.716 11.287 3 HB2 SER 1 2HB SER 1 8.044 10.795 8.388 4 HB3 SER 1 3HB SER 1 7.213 9.900 9.660 5 HG SER 1 HG SER 1 5.752 11.379 9.049 6 H ASP 2 HN ASP 2 9.676 9.003 9.836 7 HA ASP 2 HA ASP 2 12.227 10.122 8.872 8 HB2 ASP 2 2HB ASP 2 11.645 7.846 10.692 9 HB3 ASP 2 3HB ASP 2 12.972 7.641 9.553 10 H ARG 3 HN ARG 3 9.458 8.495 8.009 11 HA ARG 3 HA ARG 3 8.846 7.702 5.937 12 HB2 ARG 3 2HB ARG 3 11.718 7.388 5.130 13 HB3 ARG 3 3HB ARG 3 10.312 7.689 4.119 14 HG2 ARG 3 2HG ARG 3 10.652 9.854 5.959 15 HG3 ARG 3 3HG ARG 3 12.163 9.551 5.100 16 HD2 ARG 3 2HD ARG 3 10.408 9.384 3.060 17 HD3 ARG 3 3HD ARG 3 9.571 10.538 4.098 18 HE ARG 3 HE ARG 3 11.869 11.041 2.518 19 HH11 ARG 3 1HH1 ARG 3 10.402 11.829 5.574 20 HH12 ARG 3 2HH1 ARG 3 11.177 13.374 5.696 21 HH21 ARG 3 1HH2 ARG 3 12.895 13.072 2.666 22 HH22 ARG 3 2HH2 ARG 3 12.594 14.081 4.040 23 H THR 4 HN THR 4 8.460 5.983 7.681 24 HA THR 4 HA THR 4 10.036 3.568 7.077 25 HB THR 4 HB THR 4 8.285 3.297 9.373 26 HG1 THR 4 1HG THR 4 9.445 4.784 10.701 27 HG21 THR 4 1HG2 THR 4 10.337 2.531 10.438 28 HG22 THR 4 2HG2 THR 4 11.290 3.170 9.098 29 HG23 THR 4 3HG2 THR 4 10.182 1.824 8.830 30 H CYS 5 HN CYS 5 9.005 1.674 6.519 31 HA CYS 5 HA CYS 5 6.658 1.817 5.042 32 HB2 CYS 5 2HB CYS 5 8.432 0.003 4.972 33 HB3 CYS 5 3HB CYS 5 7.660 -0.689 6.394 34 H ALA 6 HN ALA 6 4.529 1.210 5.421 35 HA ALA 6 HA ALA 6 3.661 1.512 8.175 36 HB1 ALA 6 1HB ALA 6 1.765 2.338 7.329 37 HB2 ALA 6 2HB ALA 6 2.628 2.374 5.790 38 HB3 ALA 6 3HB ALA 6 1.587 1.007 6.185 39 H ARG 7 HN ARG 7 4.680 -1.030 6.409 40 HA ARG 7 HA ARG 7 2.873 -2.896 7.798 41 HB2 ARG 7 2HB ARG 7 4.258 -3.548 5.206 42 HB3 ARG 7 3HB ARG 7 2.910 -4.384 5.965 43 HG2 ARG 7 2HG ARG 7 2.871 -1.707 4.599 44 HG3 ARG 7 3HG ARG 7 2.063 -3.193 4.094 45 HD2 ARG 7 2HD ARG 7 1.324 -1.240 6.195 46 HD3 ARG 7 3HD ARG 7 0.301 -2.145 5.081 47 HE ARG 7 HE ARG 7 1.177 -4.086 6.687 48 HH11 ARG 7 1HH1 ARG 7 -0.112 -0.932 7.401 49 HH12 ARG 7 2HH1 ARG 7 -0.795 -1.412 8.919 50 HH21 ARG 7 1HH2 ARG 7 0.282 -4.731 8.683 51 HH22 ARG 7 2HH2 ARG 7 -0.571 -3.573 9.648 52 H CYS 8 HN CYS 8 6.133 -2.199 6.697 53 HA CYS 8 HA CYS 8 7.163 -4.480 8.227 54 HB2 CYS 8 2HB CYS 8 8.609 -2.649 6.300 55 HB3 CYS 8 3HB CYS 8 9.275 -4.093 7.054 56 H GLN 9 HN GLN 9 7.031 -1.014 8.175 57 HA GLN 9 HA GLN 9 7.651 0.565 9.690 58 HB2 GLN 9 2HB GLN 9 7.332 -1.861 11.235 59 HB3 GLN 9 3HB GLN 9 8.587 -0.839 11.923 60 HG2 GLN 9 2HG GLN 9 6.070 0.499 11.161 61 HG3 GLN 9 3HG GLN 9 5.997 -0.607 12.533 62 HE21 GLN 9 1HE2 GLN 9 8.254 1.846 11.301 63 HE22 GLN 9 2HE2 GLN 9 8.464 2.656 12.811 64 H GLU 10 HN GLU 10 9.585 -0.723 7.857 65 HA GLU 10 HA GLU 10 12.080 -0.294 9.355 66 HB2 GLU 10 2HB GLU 10 11.302 -2.092 7.164 67 HB3 GLU 10 3HB GLU 10 12.855 -1.301 6.931 68 HG2 GLU 10 2HG GLU 10 12.102 -2.842 9.401 69 HG3 GLU 10 3HG GLU 10 12.982 -3.522 8.034 70 H SER 11 HN SER 11 13.674 1.081 8.555 71 HA SER 11 HA SER 11 12.871 3.476 7.442 72 HB2 SER 11 2HB SER 11 14.960 3.357 8.617 73 HB3 SER 11 3HB SER 11 15.601 2.177 7.473 74 HG SER 11 HG SER 11 16.264 3.798 6.333 75 H LEU 12 HN LEU 12 12.510 4.218 5.443 76 HA LEU 12 HA LEU 12 12.492 2.369 3.246 77 HB2 LEU 12 2HB LEU 12 11.726 5.244 3.588 78 HB3 LEU 12 3HB LEU 12 11.792 4.511 1.986 79 HG LEU 12 HG LEU 12 9.568 4.631 3.503 80 HD11 LEU 12 1HD1 LEU 12 10.145 3.749 1.078 81 HD12 LEU 12 2HD1 LEU 12 8.607 3.384 1.858 82 HD13 LEU 12 3HD1 LEU 12 9.900 2.185 1.855 83 HD21 LEU 12 1HD2 LEU 12 10.614 3.146 5.207 84 HD22 LEU 12 2HD2 LEU 12 10.671 1.869 3.993 85 HD23 LEU 12 3HD2 LEU 12 9.116 2.513 4.525 86 H GLY 13 HN GLY 13 14.376 5.216 4.164 87 HA2 GLY 13 1HA GLY 13 16.169 6.228 3.074 88 HA3 GLY 13 2HA GLY 13 16.798 4.595 3.232 89 H ARG 14 HN ARG 14 17.777 4.072 1.394 90 HA ARG 14 HA ARG 14 17.300 5.206 -1.108 91 HB2 ARG 14 2HB ARG 14 18.827 2.921 -0.060 92 HB3 ARG 14 3HB ARG 14 18.336 2.756 -1.741 93 HG2 ARG 14 2HG ARG 14 19.304 5.334 -1.608 94 HG3 ARG 14 3HG ARG 14 20.391 4.422 -0.557 95 HD2 ARG 14 2HD ARG 14 21.330 4.323 -2.725 96 HD3 ARG 14 3HD ARG 14 20.596 2.747 -2.433 97 HE ARG 14 HE ARG 14 18.644 4.142 -3.701 98 HH11 ARG 14 1HH1 ARG 14 21.978 3.445 -4.418 99 HH12 ARG 14 2HH1 ARG 14 21.750 3.469 -6.136 100 HH21 ARG 14 1HH2 ARG 14 18.330 4.178 -5.961 101 HH22 ARG 14 2HH2 ARG 14 19.674 3.887 -7.012 102 H LEU 15 HN LEU 15 15.115 5.212 -1.612 103 HA LEU 15 HA LEU 15 14.149 2.881 -2.946 104 HB2 LEU 15 2HB LEU 15 13.524 2.156 -0.768 105 HB3 LEU 15 3HB LEU 15 12.860 3.738 -0.366 106 HG LEU 15 HG LEU 15 10.979 3.393 -1.797 107 HD11 LEU 15 1HD1 LEU 15 10.955 0.891 -2.788 108 HD12 LEU 15 2HD1 LEU 15 12.674 1.261 -2.917 109 HD13 LEU 15 3HD1 LEU 15 11.487 2.303 -3.701 110 HD21 LEU 15 1HD2 LEU 15 11.518 1.855 0.450 111 HD22 LEU 15 2HD2 LEU 15 10.875 0.707 -0.725 112 HD23 LEU 15 3HD2 LEU 15 9.939 2.137 -0.283 113 H SER 16 HN SER 16 11.919 5.043 -1.372 114 HA SER 16 HA SER 16 11.755 7.247 -2.902 115 HB2 SER 16 2HB SER 16 9.976 6.452 -4.659 116 HB3 SER 16 3HB SER 16 11.694 6.247 -4.998 117 HG SER 16 HG SER 16 10.006 4.257 -3.881 118 HA PRO 17 HA PRO 17 8.381 6.558 0.180 119 HB2 PRO 17 2HB PRO 17 8.831 8.878 1.516 120 HB3 PRO 17 3HB PRO 17 9.705 7.382 1.867 121 HG2 PRO 17 2HG PRO 17 10.559 9.734 0.224 122 HG3 PRO 17 3HG PRO 17 11.492 8.797 1.406 123 HD2 PRO 17 2HD PRO 17 11.732 8.425 -1.265 124 HD3 PRO 17 3HD PRO 17 11.930 7.104 -0.095 125 H LYS 18 HN LYS 18 8.928 8.480 -2.436 126 HA LYS 18 HA LYS 18 6.636 10.243 -1.995 127 HB2 LYS 18 2HB LYS 18 8.817 11.098 -2.950 128 HB3 LYS 18 3HB LYS 18 8.464 10.161 -4.397 129 HG2 LYS 18 2HG LYS 18 6.233 11.837 -3.621 130 HG3 LYS 18 3HG LYS 18 7.708 12.769 -3.891 131 HD2 LYS 18 2HD LYS 18 7.934 11.445 -6.065 132 HD3 LYS 18 3HD LYS 18 6.259 10.957 -5.802 133 HE2 LYS 18 2HE LYS 18 7.178 13.825 -5.881 134 HE3 LYS 18 3HE LYS 18 6.564 12.955 -7.286 135 HZ1 LYS 18 1HZ LYS 18 4.978 13.104 -4.804 136 HZ2 LYS 18 2HZ LYS 18 4.450 12.832 -6.388 137 HZ3 LYS 18 3HZ LYS 18 4.950 14.378 -5.917 138 H THR 19 HN THR 19 7.696 7.552 -3.983 139 HA THR 19 HA THR 19 5.062 7.500 -5.295 140 HB THR 19 HB THR 19 6.083 6.009 -6.967 141 HG1 THR 19 1HG THR 19 8.566 6.113 -6.773 142 HG21 THR 19 1HG2 THR 19 6.607 8.765 -6.601 143 HG22 THR 19 2HG2 THR 19 6.569 7.856 -8.113 144 HG23 THR 19 3HG2 THR 19 8.083 8.033 -7.227 145 H ASN 20 HN ASN 20 5.971 6.450 -2.566 146 HA ASN 20 HA ASN 20 4.924 3.721 -2.933 147 HB2 ASN 20 2HB ASN 20 7.222 4.680 -1.255 148 HB3 ASN 20 3HB ASN 20 6.317 3.247 -0.778 149 HD21 ASN 20 1HD2 ASN 20 9.090 3.503 -1.617 150 HD22 ASN 20 2HD2 ASN 20 9.275 2.465 -2.986 151 H THR 21 HN THR 21 3.520 6.208 -2.333 152 HA THR 21 HA THR 21 2.681 5.775 0.448 153 HB THR 21 HB THR 21 1.994 8.080 -1.385 154 HG1 THR 21 1HG THR 21 3.551 9.206 -0.142 155 HG21 THR 21 1HG2 THR 21 1.217 9.181 0.644 156 HG22 THR 21 2HG2 THR 21 1.638 7.759 1.597 157 HG23 THR 21 3HG2 THR 21 0.347 7.667 0.400 158 H CYS 22 HN CYS 22 1.317 4.024 0.278 159 HA CYS 22 HA CYS 22 -0.444 3.221 -1.553 160 HB2 CYS 22 2HB CYS 22 -0.173 2.199 0.698 161 HB3 CYS 22 3HB CYS 22 -1.172 3.483 1.372 162 H ARG 23 HN ARG 23 -2.133 3.988 -2.642 163 HA ARG 23 HA ARG 23 -3.089 6.647 -2.117 164 HB2 ARG 23 2HB ARG 23 -4.583 5.035 -4.064 165 HB3 ARG 23 3HB ARG 23 -3.829 6.613 -4.248 166 HG2 ARG 23 2HG ARG 23 -1.634 5.073 -4.137 167 HG3 ARG 23 3HG ARG 23 -2.776 3.927 -4.840 168 HD2 ARG 23 2HD ARG 23 -2.963 5.092 -6.776 169 HD3 ARG 23 3HD ARG 23 -2.768 6.653 -5.980 170 HE ARG 23 HE ARG 23 -0.338 5.213 -5.916 171 HH11 ARG 23 1HH1 ARG 23 -2.410 6.981 -8.084 172 HH12 ARG 23 2HH1 ARG 23 -1.120 7.454 -9.139 173 HH21 ARG 23 1HH2 ARG 23 1.369 5.830 -7.298 174 HH22 ARG 23 2HH2 ARG 23 1.028 6.798 -8.692 175 H GLY 24 HN GLY 24 -3.732 3.949 -0.531 176 HA2 GLY 24 1HA GLY 24 -6.590 4.617 -0.183 177 HA3 GLY 24 2HA GLY 24 -5.988 2.968 -0.109 178 H CYS 25 HN CYS 25 -3.556 4.414 1.290 179 HA CYS 25 HA CYS 25 -4.813 4.532 3.952 180 HB2 CYS 25 2HB CYS 25 -2.192 3.252 3.164 181 HB3 CYS 25 3HB CYS 25 -2.662 3.560 4.832 182 H ASN 26 HN ASN 26 -2.372 5.748 1.769 183 HA ASN 26 HA ASN 26 -1.425 7.837 1.677 184 HB2 ASN 26 2HB ASN 26 -3.536 8.283 3.392 185 HB3 ASN 26 3HB ASN 26 -2.146 8.759 4.363 186 HD21 ASN 26 1HD2 ASN 26 -0.559 9.578 2.094 187 HD22 ASN 26 2HD2 ASN 26 -1.227 11.072 1.539 188 H HIS 27 HN HIS 27 -0.499 5.337 3.214 189 HA HIS 27 HA HIS 27 1.658 6.638 4.742 190 HB2 HIS 27 2HB HIS 27 0.569 3.830 5.022 191 HB3 HIS 27 3HB HIS 27 1.888 4.513 5.967 192 HD1 HIS 27 1HD HIS 27 0.843 7.114 6.933 193 HD2 HIS 27 2HD HIS 27 -1.570 3.742 6.661 194 HE1 HIS 27 1HE HIS 27 -1.062 7.520 8.525 195 H LEU 28 HN LEU 28 3.752 5.446 4.716 196 HA LEU 28 HA LEU 28 4.530 4.943 2.007 197 HB2 LEU 28 2HB LEU 28 6.059 4.703 4.593 198 HB3 LEU 28 3HB LEU 28 6.772 4.549 2.989 199 HG LEU 28 HG LEU 28 5.555 7.027 4.203 200 HD11 LEU 28 1HD1 LEU 28 7.727 7.891 4.284 201 HD12 LEU 28 2HD1 LEU 28 8.366 6.630 3.231 202 HD13 LEU 28 3HD1 LEU 28 7.887 6.241 4.883 203 HD21 LEU 28 1HD2 LEU 28 6.671 6.566 1.439 204 HD22 LEU 28 2HD2 LEU 28 6.267 8.141 2.122 205 HD23 LEU 28 3HD2 LEU 28 4.999 6.945 1.851 206 H VAL 29 HN VAL 29 5.356 3.033 1.124 207 HA VAL 29 HA VAL 29 5.265 0.577 2.652 208 HB VAL 29 HB VAL 29 3.767 0.112 0.228 209 HG11 VAL 29 1HG1 VAL 29 2.590 -0.225 2.933 210 HG12 VAL 29 2HG1 VAL 29 2.601 -1.328 1.556 211 HG13 VAL 29 3HG1 VAL 29 4.047 -1.141 2.549 212 HG21 VAL 29 1HG2 VAL 29 1.696 1.253 0.864 213 HG22 VAL 29 2HG2 VAL 29 2.537 2.041 2.199 214 HG23 VAL 29 3HG2 VAL 29 2.989 2.406 0.533 215 H CYS 30 HN CYS 30 7.053 -0.458 2.099 216 HA CYS 30 HA CYS 30 8.767 0.154 0.045 217 HB2 CYS 30 2HB CYS 30 9.769 -2.069 0.384 218 HB3 CYS 30 3HB CYS 30 9.400 -1.286 1.916 219 H ARG 31 HN ARG 31 9.423 -1.674 -1.650 220 HA ARG 31 HA ARG 31 7.174 -1.817 -3.470 221 HB2 ARG 31 2HB ARG 31 9.956 -2.853 -3.982 222 HB3 ARG 31 3HB ARG 31 8.753 -2.344 -5.159 223 HG2 ARG 31 2HG ARG 31 9.191 -0.113 -3.541 224 HG3 ARG 31 3HG ARG 31 10.786 -0.805 -3.839 225 HD2 ARG 31 2HD ARG 31 10.719 0.315 -5.774 226 HD3 ARG 31 3HD ARG 31 9.610 -0.947 -6.307 227 HE ARG 31 HE ARG 31 8.082 0.970 -5.016 228 HH11 ARG 31 1HH1 ARG 31 10.136 0.766 -7.820 229 HH12 ARG 31 2HH1 ARG 31 9.280 1.990 -8.698 230 HH21 ARG 31 1HH2 ARG 31 6.947 2.582 -6.161 231 HH22 ARG 31 2HH2 ARG 31 7.466 3.024 -7.753 232 H ASP 32 HN ASP 32 7.905 -3.651 -0.981 233 HA ASP 32 HA ASP 32 7.351 -6.194 -2.364 234 HB2 ASP 32 2HB ASP 32 9.514 -5.996 -1.040 235 HB3 ASP 32 3HB ASP 32 8.513 -5.913 0.407 236 H CYS 33 HN CYS 33 6.020 -3.817 -0.425 237 HA CYS 33 HA CYS 33 4.083 -5.671 0.782 238 HB2 CYS 33 2HB CYS 33 4.931 -2.870 1.495 239 HB3 CYS 33 3HB CYS 33 3.447 -3.573 2.128 240 H ARG 34 HN ARG 34 4.404 -3.994 -1.951 241 HA ARG 34 HA ARG 34 1.652 -2.978 -2.013 242 HB2 ARG 34 2HB ARG 34 3.298 -2.567 -4.403 243 HB3 ARG 34 3HB ARG 34 2.343 -1.414 -3.481 244 HG2 ARG 34 2HG ARG 34 4.224 -1.504 -1.756 245 HG3 ARG 34 3HG ARG 34 5.169 -2.292 -3.021 246 HD2 ARG 34 2HD ARG 34 3.879 0.429 -3.169 247 HD3 ARG 34 3HD ARG 34 5.602 0.093 -3.014 248 HE ARG 34 HE ARG 34 4.769 -1.206 -5.301 249 HH11 ARG 34 1HH1 ARG 34 4.867 2.069 -4.124 250 HH12 ARG 34 2HH1 ARG 34 5.040 2.768 -5.699 251 HH21 ARG 34 1HH2 ARG 34 4.996 -0.297 -7.381 252 HH22 ARG 34 2HH2 ARG 34 5.112 1.422 -7.551 253 H ILE 35 HN ILE 35 0.147 -3.711 -3.477 254 HA ILE 35 HA ILE 35 0.875 -6.173 -4.924 255 HB ILE 35 HB ILE 35 -1.685 -5.376 -3.564 256 HG12 ILE 35 2HG1 ILE 35 -1.412 -7.729 -2.653 257 HG13 ILE 35 3HG1 ILE 35 0.177 -7.750 -3.410 258 HG21 ILE 35 1HG2 ILE 35 -2.726 -7.374 -4.587 259 HG22 ILE 35 2HG2 ILE 35 -2.344 -6.115 -5.760 260 HG23 ILE 35 3HG2 ILE 35 -1.313 -7.540 -5.630 261 HD11 ILE 35 1HD1 ILE 35 -0.535 -5.536 -1.548 262 HD12 ILE 35 2HD1 ILE 35 -0.070 -7.114 -0.909 263 HD13 ILE 35 3HD1 ILE 35 1.044 -6.215 -1.939 264 H GLN 36 HN GLN 36 1.038 -5.840 -7.035 265 HA GLN 36 HA GLN 36 0.184 -3.616 -8.442 266 HB2 GLN 36 2HB GLN 36 1.151 -6.307 -9.128 267 HB3 GLN 36 3HB GLN 36 0.170 -5.549 -10.373 268 HG2 GLN 36 2HG GLN 36 2.259 -3.851 -9.187 269 HG3 GLN 36 3HG GLN 36 2.826 -5.222 -10.140 270 HE21 GLN 36 1HE2 GLN 36 -0.034 -3.185 -10.543 271 HE22 GLN 36 2HE2 GLN 36 0.375 -2.618 -12.122 272 H GLU 37 HN GLU 37 -1.825 -2.889 -8.644 273 HA GLU 37 HA GLU 37 -4.072 -4.731 -8.646 274 HB2 GLU 37 2HB GLU 37 -3.904 -1.716 -8.643 275 HB3 GLU 37 3HB GLU 37 -5.422 -2.600 -8.706 276 HG2 GLU 37 2HG GLU 37 -3.631 -3.418 -6.539 277 HG3 GLU 37 3HG GLU 37 -4.203 -1.753 -6.437 278 H SER 38 HN SER 38 -5.830 -4.430 -10.251 279 HA SER 38 HA SER 38 -4.684 -4.365 -12.923 280 HB2 SER 38 2HB SER 38 -6.844 -5.302 -13.638 281 HB3 SER 38 3HB SER 38 -6.158 -6.234 -12.308 282 HG SER 38 HG SER 38 -7.854 -4.143 -11.624 283 H ASN 39 HN ASN 39 -5.272 -1.927 -11.203 284 HA ASN 39 HA ASN 39 -7.026 -0.519 -13.105 285 HB2 ASN 39 2HB ASN 39 -7.780 -0.616 -10.701 286 HB3 ASN 39 3HB ASN 39 -6.365 0.346 -10.286 287 HD21 ASN 39 1HD2 ASN 39 -6.368 2.500 -10.660 288 HD22 ASN 39 2HD2 ASN 39 -7.726 3.369 -11.283 289 H GLY 40 HN GLY 40 -3.997 -1.086 -13.015 290 HA2 GLY 40 1HA GLY 40 -2.222 0.056 -13.970 291 HA3 GLY 40 2HA GLY 40 -3.231 1.493 -14.043 292 H THR 41 HN THR 41 -3.458 0.406 -10.959 293 HA THR 41 HA THR 41 -1.163 2.030 -10.071 294 HB THR 41 HB THR 41 -3.418 3.113 -9.727 295 HG1 THR 41 1HG THR 41 -2.171 4.032 -8.283 296 HG21 THR 41 1HG2 THR 41 -5.074 2.075 -8.642 297 HG22 THR 41 2HG2 THR 41 -4.006 1.614 -7.317 298 HG23 THR 41 3HG2 THR 41 -4.114 0.601 -8.757 299 H TRP 42 HN TRP 42 -1.508 1.566 -7.323 300 HA TRP 42 HA TRP 42 -1.439 -1.314 -6.933 301 HB2 TRP 42 2HB TRP 42 0.792 -1.308 -5.935 302 HB3 TRP 42 3HB TRP 42 0.865 -0.761 -7.608 303 HD1 TRP 42 1HD TRP 42 1.978 1.531 -8.042 304 HE1 TRP 42 1HE TRP 42 2.924 3.401 -6.547 305 HE3 TRP 42 3HE TRP 42 0.321 -0.141 -3.503 306 HZ2 TRP 42 2HZ TRP 42 2.963 4.077 -3.807 307 HZ3 TRP 42 3HZ TRP 42 0.856 1.175 -1.495 308 HH2 TRP 42 2HH TRP 42 2.150 3.240 -1.646 309 H ARG 43 HN ARG 43 -1.489 -1.938 -4.704 310 HA ARG 43 HA ARG 43 -1.888 0.181 -2.741 311 HB2 ARG 43 2HB ARG 43 -3.998 -1.775 -3.609 312 HB3 ARG 43 3HB ARG 43 -3.999 -1.121 -1.976 313 HG2 ARG 43 2HG ARG 43 -3.791 0.815 -4.205 314 HG3 ARG 43 3HG ARG 43 -5.339 0.000 -3.975 315 HD2 ARG 43 2HD ARG 43 -4.990 0.670 -1.476 316 HD3 ARG 43 3HD ARG 43 -3.880 1.862 -2.150 317 HE ARG 43 HE ARG 43 -5.678 3.046 -2.927 318 HH11 ARG 43 1HH1 ARG 43 -6.712 -0.163 -2.058 319 HH12 ARG 43 2HH1 ARG 43 -8.397 0.185 -2.258 320 HH21 ARG 43 1HH2 ARG 43 -7.895 3.516 -3.193 321 HH22 ARG 43 2HH2 ARG 43 -9.069 2.277 -2.904 322 H CYS 44 HN CYS 44 -1.323 -0.396 -0.694 323 HA CYS 44 HA CYS 44 0.464 -2.374 -0.178 324 HB2 CYS 44 2HB CYS 44 0.109 -2.012 2.140 325 HB3 CYS 44 3HB CYS 44 -0.254 -0.479 1.354 326 H LYS 45 HN LYS 45 0.215 -4.302 1.288 327 HA LYS 45 HA LYS 45 -1.547 -6.173 0.078 328 HB2 LYS 45 2HB LYS 45 -0.318 -6.824 2.699 329 HB3 LYS 45 3HB LYS 45 -0.384 -7.774 1.220 330 HG2 LYS 45 2HG LYS 45 1.296 -6.110 0.274 331 HG3 LYS 45 3HG LYS 45 1.512 -5.564 1.939 332 HD2 LYS 45 2HD LYS 45 3.170 -7.152 1.773 333 HD3 LYS 45 3HD LYS 45 1.840 -8.119 2.415 334 HE2 LYS 45 2HE LYS 45 1.301 -8.562 -0.086 335 HE3 LYS 45 3HE LYS 45 2.963 -8.038 -0.359 336 HZ1 LYS 45 1HZ LYS 45 1.999 -10.381 1.159 337 HZ2 LYS 45 2HZ LYS 45 3.546 -9.751 1.419 338 HZ3 LYS 45 3HZ LYS 45 3.115 -10.329 -0.111 339 H VAL 46 HN VAL 46 -1.941 -3.952 2.612 340 HA VAL 46 HA VAL 46 -3.986 -5.458 4.008 341 HB VAL 46 HB VAL 46 -3.571 -2.534 4.452 342 HG11 VAL 46 1HG1 VAL 46 -4.022 -3.137 6.760 343 HG12 VAL 46 2HG1 VAL 46 -5.282 -3.780 5.705 344 HG13 VAL 46 3HG1 VAL 46 -4.026 -4.848 6.333 345 HG21 VAL 46 1HG2 VAL 46 -1.605 -4.707 5.077 346 HG22 VAL 46 2HG2 VAL 46 -1.315 -3.109 4.388 347 HG23 VAL 46 3HG2 VAL 46 -1.726 -3.273 6.096 348 H CYS 47 HN CYS 47 -3.782 -3.234 1.400 349 HA CYS 47 HA CYS 47 -6.642 -2.608 1.558 350 HB2 CYS 47 2HB CYS 47 -4.352 -1.421 0.005 351 HB3 CYS 47 3HB CYS 47 -6.024 -1.081 -0.425 352 H ALA 48 HN ALA 48 -4.228 -3.867 -0.726 353 HA ALA 48 HA ALA 48 -6.137 -4.581 -2.714 354 HB1 ALA 48 1HB ALA 48 -3.382 -4.393 -2.600 355 HB2 ALA 48 2HB ALA 48 -3.678 -6.119 -2.807 356 HB3 ALA 48 3HB ALA 48 -4.336 -4.966 -3.968 357 H LYS 49 HN LYS 49 -5.231 -5.989 0.240 358 HA LYS 49 HA LYS 49 -5.369 -8.703 -0.152 359 HB2 LYS 49 2HB LYS 49 -4.920 -8.226 2.038 360 HB3 LYS 49 3HB LYS 49 -6.059 -6.888 2.093 361 HG2 LYS 49 2HG LYS 49 -7.895 -8.336 2.410 362 HG3 LYS 49 3HG LYS 49 -6.937 -9.758 1.995 363 HD2 LYS 49 2HD LYS 49 -6.423 -10.025 4.140 364 HD3 LYS 49 3HD LYS 49 -5.637 -8.444 4.144 365 HE2 LYS 49 2HE LYS 49 -8.549 -9.011 4.695 366 HE3 LYS 49 3HE LYS 49 -7.328 -8.544 5.878 367 HZ1 LYS 49 1HZ LYS 49 -7.610 -6.415 5.380 368 HZ2 LYS 49 2HZ LYS 49 -8.963 -6.858 4.467 369 HZ3 LYS 49 3HZ LYS 49 -7.455 -6.693 3.718 370 H GLU 50 HN GLU 50 -8.175 -6.755 0.888 371 HA GLU 50 HA GLU 50 -9.900 -8.010 -1.033 372 HB2 GLU 50 2HB GLU 50 -11.222 -9.331 0.348 373 HB3 GLU 50 3HB GLU 50 -9.603 -9.650 0.953 374 HG2 GLU 50 2HG GLU 50 -10.498 -9.238 2.953 375 HG3 GLU 50 3HG GLU 50 -10.331 -7.543 2.496 376 H ILE 51 HN ILE 51 -9.040 -5.338 -0.018 377 HA ILE 51 HA ILE 51 -9.957 -3.268 0.219 378 HB ILE 51 HB ILE 51 -12.642 -4.550 -0.276 379 HG12 ILE 51 2HG1 ILE 51 -11.665 -3.372 -2.644 380 HG13 ILE 51 3HG1 ILE 51 -10.353 -4.365 -2.018 381 HG21 ILE 51 1HG2 ILE 51 -13.042 -2.364 0.369 382 HG22 ILE 51 2HG2 ILE 51 -11.568 -1.762 -0.386 383 HG23 ILE 51 3HG2 ILE 51 -12.945 -2.225 -1.386 384 HD11 ILE 51 1HD1 ILE 51 -11.526 -6.314 -2.281 385 HD12 ILE 51 2HD1 ILE 51 -13.094 -5.513 -2.177 386 HD13 ILE 51 3HD1 ILE 51 -12.124 -5.367 -3.643 387 H GLU 52 HN GLU 52 -9.608 -2.814 2.334 388 HA GLU 52 HA GLU 52 -11.342 -3.918 4.384 389 HB2 GLU 52 2HB GLU 52 -8.690 -3.002 4.317 390 HB3 GLU 52 3HB GLU 52 -9.557 -1.848 5.321 391 HG2 GLU 52 2HG GLU 52 -10.102 -4.686 5.875 392 HG3 GLU 52 3HG GLU 52 -8.471 -4.126 6.241 393 H LEU 53 HN LEU 53 -12.654 -2.271 2.498 394 HA LEU 53 HA LEU 53 -14.232 -0.635 2.436 395 HB2 LEU 53 2HB LEU 53 -14.047 -1.395 5.153 396 HB3 LEU 53 3HB LEU 53 -14.168 0.363 5.109 397 HG LEU 53 HG LEU 53 -16.124 -0.858 3.367 398 HD11 LEU 53 1HD1 LEU 53 -17.507 -1.879 5.099 399 HD12 LEU 53 2HD1 LEU 53 -16.217 -1.644 6.276 400 HD13 LEU 53 3HD1 LEU 53 -15.977 -2.736 4.913 401 HD21 LEU 53 1HD2 LEU 53 -16.705 0.672 5.869 402 HD22 LEU 53 2HD2 LEU 53 -17.531 0.715 4.311 403 HD23 LEU 53 3HD2 LEU 53 -15.950 1.477 4.493 Start of MODEL 18 1 H1 SER 1 HN SER 1 7.529 9.695 12.332 2 HA SER 1 HA SER 1 7.628 10.560 10.226 3 HB2 SER 1 2HB SER 1 8.731 12.935 11.747 4 HB3 SER 1 3HB SER 1 8.115 12.984 10.096 5 HG SER 1 HG SER 1 6.708 13.413 12.167 6 H ASP 2 HN ASP 2 9.484 8.862 10.158 7 HA ASP 2 HA ASP 2 11.912 10.240 9.215 8 HB2 ASP 2 2HB ASP 2 11.731 7.536 10.561 9 HB3 ASP 2 3HB ASP 2 13.201 8.243 9.898 10 H ARG 3 HN ARG 3 9.267 8.503 8.302 11 HA ARG 3 HA ARG 3 8.692 7.743 6.207 12 HB2 ARG 3 2HB ARG 3 11.571 7.559 5.390 13 HB3 ARG 3 3HB ARG 3 10.153 7.862 4.395 14 HG2 ARG 3 2HG ARG 3 10.346 9.979 6.258 15 HG3 ARG 3 3HG ARG 3 11.948 9.729 5.563 16 HD2 ARG 3 2HD ARG 3 10.975 9.850 3.312 17 HD3 ARG 3 3HD ARG 3 9.386 10.132 4.023 18 HE ARG 3 HE ARG 3 9.974 12.313 4.390 19 HH11 ARG 3 1HH1 ARG 3 12.838 10.457 3.703 20 HH12 ARG 3 2HH1 ARG 3 13.871 11.843 3.604 21 HH21 ARG 3 1HH2 ARG 3 11.325 14.147 4.263 22 HH22 ARG 3 2HH2 ARG 3 13.009 13.943 3.924 23 H THR 4 HN THR 4 8.263 5.927 7.746 24 HA THR 4 HA THR 4 9.953 3.602 7.089 25 HB THR 4 HB THR 4 8.298 3.211 9.443 26 HG1 THR 4 1HG THR 4 9.115 4.769 10.729 27 HG21 THR 4 1HG2 THR 4 10.367 2.399 10.384 28 HG22 THR 4 2HG2 THR 4 11.297 3.167 9.096 29 HG23 THR 4 3HG2 THR 4 10.226 1.816 8.725 30 H CYS 5 HN CYS 5 8.948 1.684 6.534 31 HA CYS 5 HA CYS 5 6.574 1.790 5.115 32 HB2 CYS 5 2HB CYS 5 8.338 -0.004 4.981 33 HB3 CYS 5 3HB CYS 5 7.669 -0.685 6.459 34 H ALA 6 HN ALA 6 4.452 1.290 5.538 35 HA ALA 6 HA ALA 6 3.640 1.510 8.314 36 HB1 ALA 6 1HB ALA 6 2.348 1.866 5.686 37 HB2 ALA 6 2HB ALA 6 1.311 1.294 6.993 38 HB3 ALA 6 3HB ALA 6 2.194 2.810 7.168 39 H ARG 7 HN ARG 7 4.732 -0.999 6.706 40 HA ARG 7 HA ARG 7 2.831 -2.865 7.957 41 HB2 ARG 7 2HB ARG 7 4.275 -3.673 5.472 42 HB3 ARG 7 3HB ARG 7 2.735 -4.238 6.105 43 HG2 ARG 7 2HG ARG 7 3.136 -1.484 4.970 44 HG3 ARG 7 3HG ARG 7 2.618 -2.868 4.006 45 HD2 ARG 7 2HD ARG 7 0.598 -3.070 5.181 46 HD3 ARG 7 3HD ARG 7 1.172 -2.061 6.508 47 HE ARG 7 HE ARG 7 1.008 -0.709 3.967 48 HH11 ARG 7 1HH1 ARG 7 -0.673 -1.580 6.889 49 HH12 ARG 7 2HH1 ARG 7 -1.823 -0.289 6.768 50 HH21 ARG 7 1HH2 ARG 7 -0.500 0.994 3.796 51 HH22 ARG 7 2HH2 ARG 7 -1.724 1.174 5.007 52 H CYS 8 HN CYS 8 6.125 -2.248 6.866 53 HA CYS 8 HA CYS 8 7.082 -4.494 8.497 54 HB2 CYS 8 2HB CYS 8 8.648 -2.841 6.509 55 HB3 CYS 8 3HB CYS 8 9.149 -4.352 7.260 56 H GLN 9 HN GLN 9 7.023 -1.047 8.285 57 HA GLN 9 HA GLN 9 7.707 0.587 9.713 58 HB2 GLN 9 2HB GLN 9 7.626 -1.825 11.391 59 HB3 GLN 9 3HB GLN 9 8.697 -0.565 11.990 60 HG2 GLN 9 2HG GLN 9 6.198 0.575 11.167 61 HG3 GLN 9 3HG GLN 9 5.925 -0.750 12.298 62 HE21 GLN 9 1HE2 GLN 9 8.069 2.046 11.870 63 HE22 GLN 9 2HE2 GLN 9 8.054 2.527 13.529 64 H GLU 10 HN GLU 10 9.566 -0.894 7.881 65 HA GLU 10 HA GLU 10 12.125 -0.413 9.233 66 HB2 GLU 10 2HB GLU 10 11.222 -2.211 7.091 67 HB3 GLU 10 3HB GLU 10 12.772 -1.443 6.782 68 HG2 GLU 10 2HG GLU 10 13.544 -2.256 9.002 69 HG3 GLU 10 3HG GLU 10 12.030 -3.148 9.145 70 H SER 11 HN SER 11 13.473 1.188 8.641 71 HA SER 11 HA SER 11 12.719 3.493 7.477 72 HB2 SER 11 2HB SER 11 15.303 2.182 7.917 73 HB3 SER 11 3HB SER 11 15.328 3.350 6.595 74 HG SER 11 HG SER 11 14.363 3.870 9.215 75 H LEU 12 HN LEU 12 12.794 4.460 5.434 76 HA LEU 12 HA LEU 12 12.468 2.578 3.227 77 HB2 LEU 12 2HB LEU 12 11.696 5.428 3.690 78 HB3 LEU 12 3HB LEU 12 11.764 4.786 2.050 79 HG LEU 12 HG LEU 12 9.521 4.825 3.454 80 HD11 LEU 12 1HD1 LEU 12 10.518 2.721 1.561 81 HD12 LEU 12 2HD1 LEU 12 9.472 4.102 1.231 82 HD13 LEU 12 3HD1 LEU 12 8.857 2.731 2.153 83 HD21 LEU 12 1HD2 LEU 12 10.680 3.401 5.237 84 HD22 LEU 12 2HD2 LEU 12 10.513 2.066 4.098 85 HD23 LEU 12 3HD2 LEU 12 9.077 2.897 4.701 86 H GLY 13 HN GLY 13 15.116 3.142 4.268 87 HA2 GLY 13 1HA GLY 13 16.663 4.973 2.983 88 HA3 GLY 13 2HA GLY 13 17.208 3.334 3.311 89 H ARG 14 HN ARG 14 17.038 5.527 0.951 90 HA ARG 14 HA ARG 14 16.887 5.500 -1.336 91 HB2 ARG 14 2HB ARG 14 18.156 2.780 -1.004 92 HB3 ARG 14 3HB ARG 14 18.318 3.873 -2.373 93 HG2 ARG 14 2HG ARG 14 19.348 5.507 -0.676 94 HG3 ARG 14 3HG ARG 14 19.521 4.087 0.357 95 HD2 ARG 14 2HD ARG 14 20.438 3.721 -2.407 96 HD3 ARG 14 3HD ARG 14 21.353 4.908 -1.477 97 HE ARG 14 HE ARG 14 21.411 2.077 -1.165 98 HH11 ARG 14 1HH1 ARG 14 21.677 5.085 0.568 99 HH12 ARG 14 2HH1 ARG 14 22.660 4.421 1.831 100 HH21 ARG 14 1HH2 ARG 14 22.705 1.192 0.491 101 HH22 ARG 14 2HH2 ARG 14 23.245 2.206 1.785 102 H LEU 15 HN LEU 15 14.581 5.368 -1.435 103 HA LEU 15 HA LEU 15 13.680 2.967 -2.791 104 HB2 LEU 15 2HB LEU 15 13.249 3.019 -0.147 105 HB3 LEU 15 3HB LEU 15 11.831 3.917 -0.686 106 HG LEU 15 HG LEU 15 12.036 1.574 -2.279 107 HD11 LEU 15 1HD1 LEU 15 11.608 0.013 -0.218 108 HD12 LEU 15 2HD1 LEU 15 12.633 1.182 0.613 109 HD13 LEU 15 3HD1 LEU 15 13.247 0.317 -0.795 110 HD21 LEU 15 1HD2 LEU 15 10.087 3.080 -1.191 111 HD22 LEU 15 2HD2 LEU 15 10.058 1.698 -0.095 112 HD23 LEU 15 3HD2 LEU 15 9.829 1.455 -1.828 113 H SER 16 HN SER 16 13.013 6.226 -1.644 114 HA SER 16 HA SER 16 12.133 8.002 -2.817 115 HB2 SER 16 2HB SER 16 11.101 6.165 -4.960 116 HB3 SER 16 3HB SER 16 11.591 7.854 -5.089 117 HG SER 16 HG SER 16 13.705 6.541 -4.266 118 HA PRO 17 HA PRO 17 8.187 6.598 -0.883 119 HB2 PRO 17 2HB PRO 17 7.994 8.735 0.780 120 HB3 PRO 17 3HB PRO 17 8.927 7.289 1.180 121 HG2 PRO 17 2HG PRO 17 9.876 9.917 0.106 122 HG3 PRO 17 3HG PRO 17 10.584 8.907 1.381 123 HD2 PRO 17 2HD PRO 17 11.541 8.939 -1.152 124 HD3 PRO 17 3HD PRO 17 11.596 7.489 -0.130 125 H LYS 18 HN LYS 18 9.151 8.933 -3.006 126 HA LYS 18 HA LYS 18 6.937 10.719 -2.952 127 HB2 LYS 18 2HB LYS 18 9.028 11.389 -3.978 128 HB3 LYS 18 3HB LYS 18 8.921 10.072 -5.138 129 HG2 LYS 18 2HG LYS 18 8.300 12.088 -6.242 130 HG3 LYS 18 3HG LYS 18 6.844 11.112 -6.032 131 HD2 LYS 18 2HD LYS 18 5.968 12.523 -4.434 132 HD3 LYS 18 3HD LYS 18 7.553 13.137 -3.956 133 HE2 LYS 18 2HE LYS 18 6.527 13.689 -6.705 134 HE3 LYS 18 3HE LYS 18 5.909 14.628 -5.347 135 HZ1 LYS 18 1HZ LYS 18 8.446 14.788 -6.663 136 HZ2 LYS 18 2HZ LYS 18 8.606 14.649 -4.985 137 HZ3 LYS 18 3HZ LYS 18 7.686 15.907 -5.645 138 H THR 19 HN THR 19 7.401 7.550 -4.178 139 HA THR 19 HA THR 19 4.706 7.612 -5.327 140 HB THR 19 HB THR 19 5.371 6.331 -7.279 141 HG1 THR 19 1HG THR 19 7.841 6.336 -7.563 142 HG21 THR 19 1HG2 THR 19 6.043 8.126 -8.494 143 HG22 THR 19 2HG2 THR 19 7.385 8.491 -7.410 144 HG23 THR 19 3HG2 THR 19 5.745 8.978 -6.981 145 H ASN 20 HN ASN 20 5.969 6.545 -2.851 146 HA ASN 20 HA ASN 20 5.196 3.725 -3.210 147 HB2 ASN 20 2HB ASN 20 7.388 4.857 -1.462 148 HB3 ASN 20 3HB ASN 20 6.810 3.197 -1.360 149 HD21 ASN 20 1HD2 ASN 20 9.398 4.565 -2.204 150 HD22 ASN 20 2HD2 ASN 20 9.792 3.800 -3.702 151 H THR 21 HN THR 21 3.633 6.098 -2.391 152 HA THR 21 HA THR 21 2.975 5.352 0.379 153 HB THR 21 HB THR 21 2.216 7.875 -1.106 154 HG1 THR 21 1HG THR 21 4.537 7.378 -0.323 155 HG21 THR 21 1HG2 THR 21 1.596 8.680 1.162 156 HG22 THR 21 2HG2 THR 21 1.875 7.051 1.779 157 HG23 THR 21 3HG2 THR 21 0.594 7.342 0.602 158 H CYS 22 HN CYS 22 1.367 3.928 0.474 159 HA CYS 22 HA CYS 22 -0.364 3.068 -1.393 160 HB2 CYS 22 2HB CYS 22 -0.175 2.255 0.989 161 HB3 CYS 22 3HB CYS 22 -1.246 3.574 1.452 162 H ARG 23 HN ARG 23 -2.305 3.637 -2.295 163 HA ARG 23 HA ARG 23 -3.004 6.455 -2.107 164 HB2 ARG 23 2HB ARG 23 -3.929 6.253 -4.189 165 HB3 ARG 23 3HB ARG 23 -2.792 4.913 -4.260 166 HG2 ARG 23 2HG ARG 23 -4.530 3.335 -3.768 167 HG3 ARG 23 3HG ARG 23 -5.687 4.637 -3.487 168 HD2 ARG 23 2HD ARG 23 -4.671 5.141 -6.023 169 HD3 ARG 23 3HD ARG 23 -4.866 3.390 -5.968 170 HE ARG 23 HE ARG 23 -7.211 4.359 -4.975 171 HH11 ARG 23 1HH1 ARG 23 -5.401 4.850 -7.908 172 HH12 ARG 23 2HH1 ARG 23 -6.804 5.163 -8.875 173 HH21 ARG 23 1HH2 ARG 23 -9.066 4.770 -6.238 174 HH22 ARG 23 2HH2 ARG 23 -8.888 5.118 -7.924 175 H GLY 24 HN GLY 24 -3.948 3.589 -0.659 176 HA2 GLY 24 1HA GLY 24 -6.683 4.588 -0.182 177 HA3 GLY 24 2HA GLY 24 -6.194 2.906 -0.043 178 H CYS 25 HN CYS 25 -3.657 4.258 1.276 179 HA CYS 25 HA CYS 25 -4.878 4.511 3.947 180 HB2 CYS 25 2HB CYS 25 -2.289 3.165 3.155 181 HB3 CYS 25 3HB CYS 25 -2.724 3.533 4.822 182 H ASN 26 HN ASN 26 -2.438 5.618 1.700 183 HA ASN 26 HA ASN 26 -1.431 7.670 1.535 184 HB2 ASN 26 2HB ASN 26 -3.562 8.227 3.203 185 HB3 ASN 26 3HB ASN 26 -2.172 8.748 4.150 186 HD21 ASN 26 1HD2 ASN 26 -3.786 9.098 1.048 187 HD22 ASN 26 2HD2 ASN 26 -3.191 10.684 0.709 188 H HIS 27 HN HIS 27 -0.518 5.237 3.116 189 HA HIS 27 HA HIS 27 1.587 6.567 4.691 190 HB2 HIS 27 2HB HIS 27 0.466 3.771 4.971 191 HB3 HIS 27 3HB HIS 27 1.812 4.415 5.907 192 HD1 HIS 27 1HD HIS 27 0.812 7.073 6.836 193 HD2 HIS 27 2HD HIS 27 -1.625 3.712 6.677 194 HE1 HIS 27 1HE HIS 27 -1.059 7.522 8.454 195 H LEU 28 HN LEU 28 3.689 5.392 4.726 196 HA LEU 28 HA LEU 28 4.547 4.886 2.045 197 HB2 LEU 28 2HB LEU 28 5.959 4.720 4.698 198 HB3 LEU 28 3HB LEU 28 6.753 4.417 3.155 199 HG LEU 28 HG LEU 28 5.620 7.015 4.171 200 HD11 LEU 28 1HD1 LEU 28 7.937 6.186 4.838 201 HD12 LEU 28 2HD1 LEU 28 7.826 7.797 4.131 202 HD13 LEU 28 3HD1 LEU 28 8.384 6.441 3.151 203 HD21 LEU 28 1HD2 LEU 28 6.427 7.931 1.974 204 HD22 LEU 28 2HD2 LEU 28 4.974 6.934 1.887 205 HD23 LEU 28 3HD2 LEU 28 6.534 6.265 1.402 206 H VAL 29 HN VAL 29 5.451 2.976 1.206 207 HA VAL 29 HA VAL 29 5.259 0.517 2.722 208 HB VAL 29 HB VAL 29 3.933 0.019 0.220 209 HG11 VAL 29 1HG1 VAL 29 3.984 -1.052 2.709 210 HG12 VAL 29 2HG1 VAL 29 2.425 -0.226 2.731 211 HG13 VAL 29 3HG1 VAL 29 2.769 -1.430 1.488 212 HG21 VAL 29 1HG2 VAL 29 1.824 1.205 0.688 213 HG22 VAL 29 2HG2 VAL 29 2.618 2.066 2.006 214 HG23 VAL 29 3HG2 VAL 29 3.153 2.312 0.344 215 H CYS 30 HN CYS 30 7.049 -0.567 2.270 216 HA CYS 30 HA CYS 30 8.925 0.054 0.368 217 HB2 CYS 30 2HB CYS 30 9.830 -2.222 0.708 218 HB3 CYS 30 3HB CYS 30 9.407 -1.442 2.227 219 H ARG 31 HN ARG 31 9.670 -1.733 -1.328 220 HA ARG 31 HA ARG 31 7.544 -1.800 -3.301 221 HB2 ARG 31 2HB ARG 31 10.350 -2.821 -3.684 222 HB3 ARG 31 3HB ARG 31 9.225 -2.239 -4.904 223 HG2 ARG 31 2HG ARG 31 9.500 -0.052 -3.290 224 HG3 ARG 31 3HG ARG 31 11.111 -0.770 -3.234 225 HD2 ARG 31 2HD ARG 31 10.736 -0.946 -5.842 226 HD3 ARG 31 3HD ARG 31 9.613 0.377 -5.534 227 HE ARG 31 HE ARG 31 11.415 1.748 -5.321 228 HH11 ARG 31 1HH1 ARG 31 12.435 -1.512 -4.649 229 HH12 ARG 31 2HH1 ARG 31 14.103 -1.087 -4.448 230 HH21 ARG 31 1HH2 ARG 31 13.608 2.319 -5.061 231 HH22 ARG 31 2HH2 ARG 31 14.769 1.093 -4.683 232 H ASP 32 HN ASP 32 7.763 -3.643 -0.870 233 HA ASP 32 HA ASP 32 7.380 -6.151 -2.365 234 HB2 ASP 32 2HB ASP 32 9.511 -6.154 -1.062 235 HB3 ASP 32 3HB ASP 32 8.565 -5.936 0.409 236 H CYS 33 HN CYS 33 6.040 -3.832 -0.379 237 HA CYS 33 HA CYS 33 4.060 -5.696 0.738 238 HB2 CYS 33 2HB CYS 33 4.899 -2.911 1.531 239 HB3 CYS 33 3HB CYS 33 3.413 -3.641 2.129 240 H ARG 34 HN ARG 34 4.386 -4.188 -2.008 241 HA ARG 34 HA ARG 34 1.699 -3.003 -2.084 242 HB2 ARG 34 2HB ARG 34 3.460 -2.789 -4.452 243 HB3 ARG 34 3HB ARG 34 2.414 -1.585 -3.712 244 HG2 ARG 34 2HG ARG 34 4.030 -1.045 -2.077 245 HG3 ARG 34 3HG ARG 34 5.009 -2.457 -2.477 246 HD2 ARG 34 2HD ARG 34 4.447 -0.246 -4.440 247 HD3 ARG 34 3HD ARG 34 5.834 -0.227 -3.351 248 HE ARG 34 HE ARG 34 5.974 -2.649 -4.609 249 HH11 ARG 34 1HH1 ARG 34 5.850 0.674 -5.643 250 HH12 ARG 34 2HH1 ARG 34 6.773 0.396 -7.083 251 HH21 ARG 34 1HH2 ARG 34 7.190 -3.026 -6.502 252 HH22 ARG 34 2HH2 ARG 34 7.533 -1.708 -7.571 253 H ILE 35 HN ILE 35 0.151 -3.714 -3.513 254 HA ILE 35 HA ILE 35 0.748 -6.258 -4.874 255 HB ILE 35 HB ILE 35 -1.742 -5.291 -3.505 256 HG12 ILE 35 2HG1 ILE 35 -1.619 -7.552 -2.482 257 HG13 ILE 35 3HG1 ILE 35 -0.151 -7.864 -3.401 258 HG21 ILE 35 1HG2 ILE 35 -2.789 -7.414 -4.497 259 HG22 ILE 35 2HG2 ILE 35 -2.675 -5.987 -5.524 260 HG23 ILE 35 3HG2 ILE 35 -1.518 -7.304 -5.713 261 HD11 ILE 35 1HD1 ILE 35 -0.034 -7.077 -0.918 262 HD12 ILE 35 2HD1 ILE 35 1.115 -6.463 -2.107 263 HD13 ILE 35 3HD1 ILE 35 -0.268 -5.479 -1.626 264 H GLN 36 HN GLN 36 1.063 -5.842 -6.969 265 HA GLN 36 HA GLN 36 0.237 -3.679 -8.442 266 HB2 GLN 36 2HB GLN 36 0.955 -6.487 -9.161 267 HB3 GLN 36 3HB GLN 36 0.296 -5.439 -10.410 268 HG2 GLN 36 2HG GLN 36 2.800 -5.024 -8.802 269 HG3 GLN 36 3HG GLN 36 2.667 -5.335 -10.532 270 HE21 GLN 36 1HE2 GLN 36 2.382 -2.986 -8.009 271 HE22 GLN 36 2HE2 GLN 36 2.233 -1.599 -9.029 272 H GLU 37 HN GLU 37 -1.699 -2.920 -8.952 273 HA GLU 37 HA GLU 37 -3.992 -4.745 -8.933 274 HB2 GLU 37 2HB GLU 37 -3.855 -1.728 -8.830 275 HB3 GLU 37 3HB GLU 37 -5.348 -2.654 -8.857 276 HG2 GLU 37 2HG GLU 37 -3.258 -3.029 -6.737 277 HG3 GLU 37 3HG GLU 37 -4.549 -1.837 -6.602 278 H SER 38 HN SER 38 -5.752 -4.192 -10.546 279 HA SER 38 HA SER 38 -4.529 -4.061 -13.191 280 HB2 SER 38 2HB SER 38 -7.302 -4.856 -12.281 281 HB3 SER 38 3HB SER 38 -6.797 -4.813 -13.969 282 HG SER 38 HG SER 38 -4.992 -6.184 -12.562 283 H ASN 39 HN ASN 39 -5.420 -1.790 -11.180 284 HA ASN 39 HA ASN 39 -7.045 -0.225 -13.047 285 HB2 ASN 39 2HB ASN 39 -7.153 -0.487 -10.296 286 HB3 ASN 39 3HB ASN 39 -6.351 1.065 -10.519 287 HD21 ASN 39 1HD2 ASN 39 -7.995 2.353 -9.868 288 HD22 ASN 39 2HD2 ASN 39 -9.501 2.490 -10.705 289 H GLY 40 HN GLY 40 -3.880 -0.804 -12.587 290 HA2 GLY 40 1HA GLY 40 -2.190 0.346 -13.794 291 HA3 GLY 40 2HA GLY 40 -3.148 1.816 -13.681 292 H THR 41 HN THR 41 -3.500 0.930 -10.708 293 HA THR 41 HA THR 41 -0.980 2.159 -9.805 294 HB THR 41 HB THR 41 -3.187 3.388 -9.394 295 HG1 THR 41 1HG THR 41 -1.758 4.251 -8.085 296 HG21 THR 41 1HG2 THR 41 -4.752 2.580 -7.961 297 HG22 THR 41 2HG2 THR 41 -3.563 1.735 -6.970 298 HG23 THR 41 3HG2 THR 41 -4.105 1.028 -8.493 299 H TRP 42 HN TRP 42 -1.492 1.614 -7.034 300 HA TRP 42 HA TRP 42 -1.594 -1.276 -6.787 301 HB2 TRP 42 2HB TRP 42 0.608 -1.393 -5.651 302 HB3 TRP 42 3HB TRP 42 0.743 -0.938 -7.346 303 HD1 TRP 42 1HD TRP 42 1.958 1.291 -7.882 304 HE1 TRP 42 1HE TRP 42 3.023 3.153 -6.461 305 HE3 TRP 42 3HE TRP 42 0.253 -0.128 -3.276 306 HZ2 TRP 42 2HZ TRP 42 3.127 3.919 -3.746 307 HZ3 TRP 42 3HZ TRP 42 0.882 1.223 -1.318 308 HH2 TRP 42 2HH TRP 42 2.289 3.205 -1.550 309 H ARG 43 HN ARG 43 -1.774 -2.000 -4.600 310 HA ARG 43 HA ARG 43 -2.194 0.089 -2.589 311 HB2 ARG 43 2HB ARG 43 -4.196 -2.005 -3.423 312 HB3 ARG 43 3HB ARG 43 -4.271 -1.204 -1.858 313 HG2 ARG 43 2HG ARG 43 -4.014 0.834 -3.772 314 HG3 ARG 43 3HG ARG 43 -5.209 -0.299 -4.401 315 HD2 ARG 43 2HD ARG 43 -5.365 0.553 -1.547 316 HD3 ARG 43 3HD ARG 43 -5.923 1.654 -2.805 317 HE ARG 43 HE ARG 43 -7.178 -0.655 -3.423 318 HH11 ARG 43 1HH1 ARG 43 -6.905 1.195 -0.487 319 HH12 ARG 43 2HH1 ARG 43 -8.455 0.711 0.117 320 HH21 ARG 43 1HH2 ARG 43 -9.221 -1.300 -2.639 321 HH22 ARG 43 2HH2 ARG 43 -9.770 -0.710 -1.107 322 H CYS 44 HN CYS 44 -1.396 -0.425 -0.644 323 HA CYS 44 HA CYS 44 0.360 -2.404 -0.131 324 HB2 CYS 44 2HB CYS 44 0.122 -1.966 2.176 325 HB3 CYS 44 3HB CYS 44 -0.339 -0.464 1.381 326 H LYS 45 HN LYS 45 0.244 -4.364 1.201 327 HA LYS 45 HA LYS 45 -1.555 -6.243 0.151 328 HB2 LYS 45 2HB LYS 45 -0.287 -6.791 2.784 329 HB3 LYS 45 3HB LYS 45 -0.394 -7.810 1.355 330 HG2 LYS 45 2HG LYS 45 1.234 -5.998 0.356 331 HG3 LYS 45 3HG LYS 45 1.604 -5.727 2.060 332 HD2 LYS 45 2HD LYS 45 3.152 -7.343 1.507 333 HD3 LYS 45 3HD LYS 45 1.826 -8.329 2.127 334 HE2 LYS 45 2HE LYS 45 1.046 -8.704 -0.167 335 HE3 LYS 45 3HE LYS 45 2.383 -7.731 -0.778 336 HZ1 LYS 45 1HZ LYS 45 2.359 -10.468 -0.038 337 HZ2 LYS 45 2HZ LYS 45 3.521 -9.633 0.862 338 HZ3 LYS 45 3HZ LYS 45 3.569 -9.586 -0.827 339 H VAL 46 HN VAL 46 -1.842 -4.055 2.784 340 HA VAL 46 HA VAL 46 -3.893 -5.509 4.182 341 HB VAL 46 HB VAL 46 -3.549 -2.569 4.546 342 HG11 VAL 46 1HG1 VAL 46 -3.788 -4.814 6.542 343 HG12 VAL 46 2HG1 VAL 46 -3.971 -3.086 6.846 344 HG13 VAL 46 3HG1 VAL 46 -5.161 -3.940 5.865 345 HG21 VAL 46 1HG2 VAL 46 -1.414 -4.570 4.838 346 HG22 VAL 46 2HG2 VAL 46 -1.312 -2.821 4.642 347 HG23 VAL 46 3HG2 VAL 46 -1.651 -3.512 6.229 348 H CYS 47 HN CYS 47 -3.756 -3.264 1.561 349 HA CYS 47 HA CYS 47 -6.631 -2.730 1.723 350 HB2 CYS 47 2HB CYS 47 -4.392 -1.515 0.113 351 HB3 CYS 47 3HB CYS 47 -6.082 -1.201 -0.267 352 H ALA 48 HN ALA 48 -4.238 -3.786 -0.701 353 HA ALA 48 HA ALA 48 -6.128 -4.610 -2.620 354 HB1 ALA 48 1HB ALA 48 -3.991 -6.144 -3.221 355 HB2 ALA 48 2HB ALA 48 -4.135 -4.441 -3.657 356 HB3 ALA 48 3HB ALA 48 -3.227 -4.910 -2.221 357 H LYS 49 HN LYS 49 -5.214 -5.993 0.339 358 HA LYS 49 HA LYS 49 -5.177 -8.652 0.182 359 HB2 LYS 49 2HB LYS 49 -5.436 -7.224 2.270 360 HB3 LYS 49 3HB LYS 49 -7.172 -7.300 1.997 361 HG2 LYS 49 2HG LYS 49 -6.960 -9.043 3.427 362 HG3 LYS 49 3HG LYS 49 -6.666 -9.900 1.913 363 HD2 LYS 49 2HD LYS 49 -4.203 -9.444 2.290 364 HD3 LYS 49 3HD LYS 49 -4.644 -8.924 3.919 365 HE2 LYS 49 2HE LYS 49 -5.935 -11.330 3.694 366 HE3 LYS 49 3HE LYS 49 -4.451 -11.613 2.785 367 HZ1 LYS 49 1HZ LYS 49 -4.260 -10.326 5.413 368 HZ2 LYS 49 2HZ LYS 49 -3.159 -11.344 4.630 369 HZ3 LYS 49 3HZ LYS 49 -4.543 -11.994 5.354 370 H GLU 50 HN GLU 50 -8.325 -6.974 0.337 371 HA GLU 50 HA GLU 50 -9.392 -8.747 -1.699 372 HB2 GLU 50 2HB GLU 50 -10.437 -8.699 1.132 373 HB3 GLU 50 3HB GLU 50 -11.359 -9.327 -0.226 374 HG2 GLU 50 2HG GLU 50 -9.645 -11.004 -0.633 375 HG3 GLU 50 3HG GLU 50 -8.689 -10.362 0.701 376 H ILE 51 HN ILE 51 -11.881 -8.206 -1.917 377 HA ILE 51 HA ILE 51 -12.014 -5.450 -2.608 378 HB ILE 51 HB ILE 51 -13.213 -7.182 -3.879 379 HG12 ILE 51 2HG1 ILE 51 -15.583 -5.754 -3.155 380 HG13 ILE 51 3HG1 ILE 51 -14.212 -4.655 -3.038 381 HG21 ILE 51 1HG2 ILE 51 -13.915 -8.270 -1.551 382 HG22 ILE 51 2HG2 ILE 51 -15.377 -7.336 -1.864 383 HG23 ILE 51 3HG2 ILE 51 -14.830 -8.535 -3.035 384 HD11 ILE 51 1HD1 ILE 51 -14.589 -6.356 -5.463 385 HD12 ILE 51 2HD1 ILE 51 -15.479 -4.846 -5.267 386 HD13 ILE 51 3HD1 ILE 51 -13.715 -4.834 -5.288 387 H GLU 52 HN GLU 52 -12.463 -3.799 -1.322 388 HA GLU 52 HA GLU 52 -14.383 -4.163 0.861 389 HB2 GLU 52 2HB GLU 52 -11.896 -4.301 1.595 390 HB3 GLU 52 3HB GLU 52 -11.885 -2.564 1.323 391 HG2 GLU 52 2HG GLU 52 -13.709 -4.041 3.207 392 HG3 GLU 52 3HG GLU 52 -12.286 -3.105 3.661 393 H LEU 53 HN LEU 53 -15.941 -2.952 -0.143 394 HA LEU 53 HA LEU 53 -17.093 -1.058 -0.665 395 HB2 LEU 53 2HB LEU 53 -15.358 -0.253 1.278 396 HB3 LEU 53 3HB LEU 53 -14.943 0.836 -0.045 397 HG LEU 53 HG LEU 53 -17.810 0.547 0.709 398 HD11 LEU 53 1HD1 LEU 53 -16.825 0.815 2.870 399 HD12 LEU 53 2HD1 LEU 53 -17.497 2.369 2.380 400 HD13 LEU 53 3HD1 LEU 53 -15.758 2.091 2.283 401 HD21 LEU 53 1HD2 LEU 53 -18.038 2.612 -0.263 402 HD22 LEU 53 2HD2 LEU 53 -16.705 1.949 -1.209 403 HD23 LEU 53 3HD2 LEU 53 -16.378 3.089 0.097 Start of MODEL 19 1 H1 SER 1 HN SER 1 9.297 11.390 12.833 2 HA SER 1 HA SER 1 7.759 10.044 10.836 3 HB2 SER 1 2HB SER 1 7.216 12.757 11.058 4 HB3 SER 1 3HB SER 1 8.389 12.676 9.743 5 HG SER 1 HG SER 1 6.503 12.328 8.742 6 H ASP 2 HN ASP 2 9.410 8.754 10.275 7 HA ASP 2 HA ASP 2 11.911 10.046 9.398 8 HB2 ASP 2 2HB ASP 2 11.433 7.718 11.133 9 HB3 ASP 2 3HB ASP 2 12.639 7.454 9.877 10 H ARG 3 HN ARG 3 9.207 8.342 8.434 11 HA ARG 3 HA ARG 3 8.606 7.688 6.310 12 HB2 ARG 3 2HB ARG 3 11.477 7.617 5.444 13 HB3 ARG 3 3HB ARG 3 10.038 7.916 4.479 14 HG2 ARG 3 2HG ARG 3 10.285 9.936 6.494 15 HG3 ARG 3 3HG ARG 3 11.792 9.800 5.584 16 HD2 ARG 3 2HD ARG 3 10.851 10.529 3.656 17 HD3 ARG 3 3HD ARG 3 9.298 9.768 4.002 18 HE ARG 3 HE ARG 3 9.881 12.019 5.691 19 HH11 ARG 3 1HH1 ARG 3 8.556 10.998 2.637 20 HH12 ARG 3 2HH1 ARG 3 7.556 12.401 2.455 21 HH21 ARG 3 1HH2 ARG 3 8.568 13.870 5.461 22 HH22 ARG 3 2HH2 ARG 3 7.565 14.035 4.061 23 H THR 4 HN THR 4 8.358 5.811 7.914 24 HA THR 4 HA THR 4 10.014 3.543 7.017 25 HB THR 4 HB THR 4 8.529 2.975 9.430 26 HG1 THR 4 1HG THR 4 9.821 4.443 10.750 27 HG21 THR 4 1HG2 THR 4 10.942 2.595 10.237 28 HG22 THR 4 2HG2 THR 4 11.409 2.963 8.578 29 HG23 THR 4 3HG2 THR 4 10.349 1.595 8.912 30 H CYS 5 HN CYS 5 9.022 1.688 6.333 31 HA CYS 5 HA CYS 5 6.647 1.728 5.023 32 HB2 CYS 5 2HB CYS 5 8.409 -0.123 5.075 33 HB3 CYS 5 3HB CYS 5 7.563 -0.743 6.490 34 H ALA 6 HN ALA 6 4.521 0.981 5.441 35 HA ALA 6 HA ALA 6 3.705 1.371 8.232 36 HB1 ALA 6 1HB ALA 6 2.440 1.889 5.611 37 HB2 ALA 6 2HB ALA 6 1.373 1.383 6.921 38 HB3 ALA 6 3HB ALA 6 2.378 2.819 7.109 39 H ARG 7 HN ARG 7 4.564 -1.138 6.419 40 HA ARG 7 HA ARG 7 2.525 -2.912 7.593 41 HB2 ARG 7 2HB ARG 7 4.045 -3.580 5.085 42 HB3 ARG 7 3HB ARG 7 2.570 -4.313 5.700 43 HG2 ARG 7 2HG ARG 7 2.879 -1.586 4.470 44 HG3 ARG 7 3HG ARG 7 2.007 -2.973 3.814 45 HD2 ARG 7 2HD ARG 7 1.240 -1.084 5.972 46 HD3 ARG 7 3HD ARG 7 0.258 -1.803 4.696 47 HE ARG 7 HE ARG 7 0.782 -3.931 6.216 48 HH11 ARG 7 1HH1 ARG 7 -0.275 -0.724 7.059 49 HH12 ARG 7 2HH1 ARG 7 -1.151 -1.239 8.462 50 HH21 ARG 7 1HH2 ARG 7 -0.367 -4.623 8.060 51 HH22 ARG 7 2HH2 ARG 7 -1.202 -3.458 9.031 52 H CYS 8 HN CYS 8 5.903 -2.481 6.695 53 HA CYS 8 HA CYS 8 6.602 -4.730 8.469 54 HB2 CYS 8 2HB CYS 8 8.633 -5.024 7.165 55 HB3 CYS 8 3HB CYS 8 7.232 -5.086 6.101 56 H GLN 9 HN GLN 9 6.716 -1.390 8.062 57 HA GLN 9 HA GLN 9 7.733 0.307 9.184 58 HB2 GLN 9 2HB GLN 9 7.782 -1.956 11.117 59 HB3 GLN 9 3HB GLN 9 8.760 -0.543 11.495 60 HG2 GLN 9 2HG GLN 9 6.537 -0.463 12.525 61 HG3 GLN 9 3HG GLN 9 6.820 0.878 11.417 62 HE21 GLN 9 1HE2 GLN 9 5.916 -2.472 10.750 63 HE22 GLN 9 2HE2 GLN 9 4.423 -2.100 9.966 64 H GLU 10 HN GLU 10 9.273 -0.342 7.213 65 HA GLU 10 HA GLU 10 11.980 -0.644 8.341 66 HB2 GLU 10 2HB GLU 10 10.750 -1.705 5.836 67 HB3 GLU 10 3HB GLU 10 12.459 -1.292 5.821 68 HG2 GLU 10 2HG GLU 10 12.890 -2.831 7.628 69 HG3 GLU 10 3HG GLU 10 11.170 -3.186 7.772 70 H SER 11 HN SER 11 13.665 0.599 7.369 71 HA SER 11 HA SER 11 13.011 3.281 6.924 72 HB2 SER 11 2HB SER 11 15.216 2.586 7.729 73 HB3 SER 11 3HB SER 11 15.546 1.799 6.186 74 HG SER 11 HG SER 11 16.373 3.687 5.724 75 H LEU 12 HN LEU 12 12.690 4.501 5.133 76 HA LEU 12 HA LEU 12 12.387 3.049 2.601 77 HB2 LEU 12 2HB LEU 12 11.182 5.563 3.699 78 HB3 LEU 12 3HB LEU 12 11.153 5.226 1.970 79 HG LEU 12 HG LEU 12 9.098 4.625 3.435 80 HD11 LEU 12 1HD1 LEU 12 10.276 3.458 1.094 81 HD12 LEU 12 2HD1 LEU 12 8.576 3.733 1.474 82 HD13 LEU 12 3HD1 LEU 12 9.365 2.242 1.989 83 HD21 LEU 12 1HD2 LEU 12 9.123 2.516 4.506 84 HD22 LEU 12 2HD2 LEU 12 10.541 3.384 5.095 85 HD23 LEU 12 3HD2 LEU 12 10.720 2.129 3.868 86 H GLY 13 HN GLY 13 14.944 4.099 3.738 87 HA2 GLY 13 1HA GLY 13 15.915 6.395 2.637 88 HA3 GLY 13 2HA GLY 13 16.873 4.930 2.788 89 H ARG 14 HN ARG 14 17.291 3.689 0.994 90 HA ARG 14 HA ARG 14 17.029 5.016 -1.535 91 HB2 ARG 14 2HB ARG 14 17.982 2.187 -1.171 92 HB3 ARG 14 3HB ARG 14 18.457 3.357 -2.395 93 HG2 ARG 14 2HG ARG 14 19.179 4.563 -0.016 94 HG3 ARG 14 3HG ARG 14 19.572 2.860 0.228 95 HD2 ARG 14 2HD ARG 14 20.347 4.066 -2.363 96 HD3 ARG 14 3HD ARG 14 21.245 4.587 -0.938 97 HE ARG 14 HE ARG 14 21.288 1.903 -0.716 98 HH11 ARG 14 1HH1 ARG 14 22.055 4.071 -3.329 99 HH12 ARG 14 2HH1 ARG 14 23.250 3.025 -4.020 100 HH21 ARG 14 1HH2 ARG 14 22.860 0.517 -1.616 101 HH22 ARG 14 2HH2 ARG 14 23.707 1.003 -3.046 102 H LEU 15 HN LEU 15 14.500 4.639 -0.707 103 HA LEU 15 HA LEU 15 13.525 2.496 -2.477 104 HB2 LEU 15 2HB LEU 15 12.841 3.121 0.315 105 HB3 LEU 15 3HB LEU 15 11.465 2.825 -0.746 106 HG LEU 15 HG LEU 15 13.695 0.937 -0.025 107 HD11 LEU 15 1HD1 LEU 15 11.607 1.281 1.423 108 HD12 LEU 15 2HD1 LEU 15 12.040 -0.368 0.971 109 HD13 LEU 15 3HD1 LEU 15 10.738 0.466 0.122 110 HD21 LEU 15 1HD2 LEU 15 13.522 0.371 -2.232 111 HD22 LEU 15 2HD2 LEU 15 11.856 0.935 -2.364 112 HD23 LEU 15 3HD2 LEU 15 12.208 -0.600 -1.569 113 H SER 16 HN SER 16 13.213 5.758 -1.310 114 HA SER 16 HA SER 16 12.319 7.586 -2.381 115 HB2 SER 16 2HB SER 16 12.569 6.040 -4.490 116 HB3 SER 16 3HB SER 16 10.821 5.869 -4.329 117 HG SER 16 HG SER 16 10.677 7.736 -5.257 118 HA PRO 17 HA PRO 17 8.566 6.538 0.089 119 HB2 PRO 17 2HB PRO 17 8.775 8.699 1.720 120 HB3 PRO 17 3HB PRO 17 9.630 7.181 2.021 121 HG2 PRO 17 2HG PRO 17 10.641 9.710 0.779 122 HG3 PRO 17 3HG PRO 17 11.427 8.656 1.968 123 HD2 PRO 17 2HD PRO 17 12.035 8.585 -0.670 124 HD3 PRO 17 3HD PRO 17 12.106 7.144 0.366 125 H LYS 18 HN LYS 18 9.476 8.856 -2.122 126 HA LYS 18 HA LYS 18 7.232 10.640 -1.811 127 HB2 LYS 18 2HB LYS 18 9.102 10.384 -4.170 128 HB3 LYS 18 3HB LYS 18 8.070 11.753 -3.781 129 HG2 LYS 18 2HG LYS 18 9.488 11.704 -1.542 130 HG3 LYS 18 3HG LYS 18 10.665 10.935 -2.610 131 HD2 LYS 18 2HD LYS 18 10.238 12.887 -4.200 132 HD3 LYS 18 3HD LYS 18 9.434 13.669 -2.838 133 HE2 LYS 18 2HE LYS 18 11.411 14.359 -2.103 134 HE3 LYS 18 3HE LYS 18 11.894 12.679 -1.879 135 HZ1 LYS 18 1HZ LYS 18 12.062 13.594 -4.605 136 HZ2 LYS 18 2HZ LYS 18 13.190 12.738 -3.680 137 HZ3 LYS 18 3HZ LYS 18 13.093 14.421 -3.548 138 H THR 19 HN THR 19 8.012 7.793 -3.668 139 HA THR 19 HA THR 19 5.342 7.927 -4.913 140 HB THR 19 HB THR 19 6.109 7.109 -6.913 141 HG1 THR 19 1HG THR 19 8.133 5.905 -7.037 142 HG21 THR 19 1HG2 THR 19 7.173 9.219 -6.774 143 HG22 THR 19 2HG2 THR 19 8.393 8.109 -7.398 144 HG23 THR 19 3HG2 THR 19 8.429 8.599 -5.705 145 H ASN 20 HN ASN 20 6.675 6.595 -2.415 146 HA ASN 20 HA ASN 20 5.734 3.858 -2.951 147 HB2 ASN 20 2HB ASN 20 7.804 4.974 -1.089 148 HB3 ASN 20 3HB ASN 20 7.019 3.445 -0.704 149 HD21 ASN 20 1HD2 ASN 20 9.771 3.803 -1.237 150 HD22 ASN 20 2HD2 ASN 20 10.153 2.907 -2.664 151 H THR 21 HN THR 21 4.204 6.356 -2.165 152 HA THR 21 HA THR 21 3.131 5.519 0.431 153 HB THR 21 HB THR 21 2.457 8.007 -1.149 154 HG1 THR 21 1HG THR 21 4.377 8.619 -0.500 155 HG21 THR 21 1HG2 THR 21 2.141 7.728 1.804 156 HG22 THR 21 2HG2 THR 21 0.933 6.996 0.748 157 HG23 THR 21 3HG2 THR 21 1.242 8.731 0.665 158 H CYS 22 HN CYS 22 1.495 4.136 0.399 159 HA CYS 22 HA CYS 22 0.033 3.297 -1.768 160 HB2 CYS 22 2HB CYS 22 0.069 2.207 0.476 161 HB3 CYS 22 3HB CYS 22 -1.008 3.467 1.068 162 H ARG 23 HN ARG 23 -1.650 4.027 -2.923 163 HA ARG 23 HA ARG 23 -2.607 6.710 -2.402 164 HB2 ARG 23 2HB ARG 23 -3.854 5.201 -4.595 165 HB3 ARG 23 3HB ARG 23 -3.108 6.794 -4.602 166 HG2 ARG 23 2HG ARG 23 -0.906 5.319 -4.348 167 HG3 ARG 23 3HG ARG 23 -1.933 4.143 -5.172 168 HD2 ARG 23 2HD ARG 23 -0.867 5.266 -6.915 169 HD3 ARG 23 3HD ARG 23 -2.445 6.045 -6.816 170 HE ARG 23 HE ARG 23 -0.452 7.374 -5.250 171 HH11 ARG 23 1HH1 ARG 23 -1.773 7.028 -8.452 172 HH12 ARG 23 2HH1 ARG 23 -1.255 8.596 -8.976 173 HH21 ARG 23 1HH2 ARG 23 0.234 9.441 -5.927 174 HH22 ARG 23 2HH2 ARG 23 -0.113 9.968 -7.539 175 H GLY 24 HN GLY 24 -3.402 3.979 -0.997 176 HA2 GLY 24 1HA GLY 24 -6.317 4.399 -1.161 177 HA3 GLY 24 2HA GLY 24 -5.545 2.902 -0.659 178 H CYS 25 HN CYS 25 -3.679 3.872 1.153 179 HA CYS 25 HA CYS 25 -5.449 4.868 3.284 180 HB2 CYS 25 2HB CYS 25 -3.677 3.841 4.810 181 HB3 CYS 25 3HB CYS 25 -4.684 2.719 3.900 182 H ASN 26 HN ASN 26 -2.620 5.523 1.454 183 HA ASN 26 HA ASN 26 -1.444 7.495 1.305 184 HB2 ASN 26 2HB ASN 26 -3.583 8.338 2.749 185 HB3 ASN 26 3HB ASN 26 -2.289 8.582 3.919 186 HD21 ASN 26 1HD2 ASN 26 -3.613 9.538 0.864 187 HD22 ASN 26 2HD2 ASN 26 -2.641 10.950 0.651 188 H HIS 27 HN HIS 27 -1.040 5.010 3.181 189 HA HIS 27 HA HIS 27 1.050 6.081 4.918 190 HB2 HIS 27 2HB HIS 27 -0.073 3.283 4.666 191 HB3 HIS 27 3HB HIS 27 1.147 3.781 5.834 192 HD1 HIS 27 1HD HIS 27 -0.283 6.518 6.575 193 HD2 HIS 27 2HD HIS 27 -2.048 2.757 6.524 194 HE1 HIS 27 1HE HIS 27 -2.259 6.682 8.121 195 H LEU 28 HN LEU 28 3.182 5.122 4.942 196 HA LEU 28 HA LEU 28 4.232 4.806 2.295 197 HB2 LEU 28 2HB LEU 28 5.467 4.722 5.034 198 HB3 LEU 28 3HB LEU 28 6.400 4.432 3.566 199 HG LEU 28 HG LEU 28 5.022 6.984 4.388 200 HD11 LEU 28 1HD1 LEU 28 7.357 6.196 5.265 201 HD12 LEU 28 2HD1 LEU 28 7.111 7.861 4.743 202 HD13 LEU 28 3HD1 LEU 28 7.901 6.708 3.668 203 HD21 LEU 28 1HD2 LEU 28 5.843 6.004 1.746 204 HD22 LEU 28 2HD2 LEU 28 6.456 7.604 2.167 205 HD23 LEU 28 3HD2 LEU 28 4.720 7.291 2.184 206 H VAL 29 HN VAL 29 4.991 2.998 1.301 207 HA VAL 29 HA VAL 29 5.120 0.482 2.762 208 HB VAL 29 HB VAL 29 3.795 -0.155 0.344 209 HG11 VAL 29 1HG1 VAL 29 2.390 -0.185 2.970 210 HG12 VAL 29 2HG1 VAL 29 2.458 -1.420 1.712 211 HG13 VAL 29 3HG1 VAL 29 3.844 -1.162 2.771 212 HG21 VAL 29 1HG2 VAL 29 2.332 1.951 1.933 213 HG22 VAL 29 2HG2 VAL 29 2.977 2.153 0.305 214 HG23 VAL 29 3HG2 VAL 29 1.667 1.010 0.598 215 H CYS 30 HN CYS 30 7.102 -0.201 2.294 216 HA CYS 30 HA CYS 30 8.734 0.579 0.229 217 HB2 CYS 30 2HB CYS 30 10.104 -1.354 0.713 218 HB3 CYS 30 3HB CYS 30 9.452 -0.726 2.224 219 H ARG 31 HN ARG 31 9.678 -1.211 -1.377 220 HA ARG 31 HA ARG 31 7.516 -1.729 -3.227 221 HB2 ARG 31 2HB ARG 31 9.221 -2.209 -4.839 222 HB3 ARG 31 3HB ARG 31 9.727 -0.789 -3.934 223 HG2 ARG 31 2HG ARG 31 11.447 -1.887 -2.899 224 HG3 ARG 31 3HG ARG 31 10.664 -3.463 -3.031 225 HD2 ARG 31 2HD ARG 31 11.054 -3.372 -5.491 226 HD3 ARG 31 3HD ARG 31 11.978 -1.891 -5.241 227 HE ARG 31 HE ARG 31 12.855 -4.567 -4.758 228 HH11 ARG 31 1HH1 ARG 31 13.219 -1.255 -3.750 229 HH12 ARG 31 2HH1 ARG 31 14.825 -1.479 -3.142 230 HH21 ARG 31 1HH2 ARG 31 14.971 -4.876 -3.961 231 HH22 ARG 31 2HH2 ARG 31 15.821 -3.540 -3.263 232 H ASP 32 HN ASP 32 7.901 -3.300 -0.677 233 HA ASP 32 HA ASP 32 7.849 -5.968 -1.924 234 HB2 ASP 32 2HB ASP 32 9.934 -5.666 -0.635 235 HB3 ASP 32 3HB ASP 32 8.982 -5.296 0.800 236 H CYS 33 HN CYS 33 6.204 -3.642 -0.192 237 HA CYS 33 HA CYS 33 4.355 -5.638 0.943 238 HB2 CYS 33 2HB CYS 33 4.978 -2.818 1.832 239 HB3 CYS 33 3HB CYS 33 3.608 -3.742 2.443 240 H ARG 34 HN ARG 34 4.559 -4.296 -1.793 241 HA ARG 34 HA ARG 34 1.874 -3.090 -1.851 242 HB2 ARG 34 2HB ARG 34 3.385 -2.789 -4.305 243 HB3 ARG 34 3HB ARG 34 2.648 -1.559 -3.287 244 HG2 ARG 34 2HG ARG 34 4.592 -1.467 -1.886 245 HG3 ARG 34 3HG ARG 34 5.318 -2.832 -2.737 246 HD2 ARG 34 2HD ARG 34 4.536 -0.379 -4.251 247 HD3 ARG 34 3HD ARG 34 6.032 -0.392 -3.320 248 HE ARG 34 HE ARG 34 6.000 -2.690 -4.891 249 HH11 ARG 34 1HH1 ARG 34 6.111 0.765 -5.310 250 HH12 ARG 34 2HH1 ARG 34 6.993 0.686 -6.799 251 HH21 ARG 34 1HH2 ARG 34 7.162 -2.806 -6.851 252 HH22 ARG 34 2HH2 ARG 34 7.590 -1.344 -7.675 253 H ILE 35 HN ILE 35 0.373 -3.765 -3.393 254 HA ILE 35 HA ILE 35 1.026 -6.293 -4.762 255 HB ILE 35 HB ILE 35 -1.511 -5.522 -3.332 256 HG12 ILE 35 2HG1 ILE 35 -1.127 -7.590 -2.097 257 HG13 ILE 35 3HG1 ILE 35 0.274 -7.955 -3.097 258 HG21 ILE 35 1HG2 ILE 35 -2.464 -7.635 -4.196 259 HG22 ILE 35 2HG2 ILE 35 -2.169 -6.441 -5.459 260 HG23 ILE 35 3HG2 ILE 35 -1.064 -7.800 -5.254 261 HD11 ILE 35 1HD1 ILE 35 0.307 -5.373 -1.670 262 HD12 ILE 35 2HD1 ILE 35 0.452 -6.833 -0.691 263 HD13 ILE 35 3HD1 ILE 35 1.609 -6.519 -1.983 264 H GLN 36 HN GLN 36 0.969 -6.076 -6.890 265 HA GLN 36 HA GLN 36 0.150 -3.872 -8.314 266 HB2 GLN 36 2HB GLN 36 0.765 -6.676 -8.962 267 HB3 GLN 36 3HB GLN 36 -0.257 -5.860 -10.137 268 HG2 GLN 36 2HG GLN 36 2.176 -4.447 -9.205 269 HG3 GLN 36 3HG GLN 36 2.380 -5.821 -10.291 270 HE21 GLN 36 1HE2 GLN 36 0.937 -2.655 -9.922 271 HE22 GLN 36 2HE2 GLN 36 0.750 -2.331 -11.609 272 H GLU 37 HN GLU 37 -1.749 -3.009 -8.827 273 HA GLU 37 HA GLU 37 -4.160 -4.674 -8.518 274 HB2 GLU 37 2HB GLU 37 -3.856 -1.679 -8.229 275 HB3 GLU 37 3HB GLU 37 -5.370 -2.560 -8.089 276 HG2 GLU 37 2HG GLU 37 -3.240 -3.549 -6.347 277 HG3 GLU 37 3HG GLU 37 -3.746 -1.894 -6.016 278 H SER 38 HN SER 38 -5.105 -5.215 -10.358 279 HA SER 38 HA SER 38 -4.408 -4.391 -12.886 280 HB2 SER 38 2HB SER 38 -7.144 -5.328 -11.984 281 HB3 SER 38 3HB SER 38 -6.553 -5.329 -13.646 282 HG SER 38 HG SER 38 -4.767 -6.587 -12.139 283 H ASN 39 HN ASN 39 -6.480 -2.811 -10.595 284 HA ASN 39 HA ASN 39 -8.091 -1.199 -12.081 285 HB2 ASN 39 2HB ASN 39 -7.548 -1.294 -9.479 286 HB3 ASN 39 3HB ASN 39 -6.578 0.122 -9.875 287 HD21 ASN 39 1HD2 ASN 39 -7.991 1.335 -8.533 288 HD22 ASN 39 2HD2 ASN 39 -9.533 1.849 -9.118 289 H GLY 40 HN GLY 40 -4.687 -0.529 -11.271 290 HA2 GLY 40 1HA GLY 40 -3.843 0.460 -13.662 291 HA3 GLY 40 2HA GLY 40 -4.627 1.839 -12.907 292 H THR 41 HN THR 41 -3.866 1.095 -10.208 293 HA THR 41 HA THR 41 -0.979 1.676 -10.362 294 HB THR 41 HB THR 41 -2.402 3.574 -9.536 295 HG1 THR 41 1HG THR 41 -0.238 3.492 -8.904 296 HG21 THR 41 1HG2 THR 41 -2.736 2.699 -6.853 297 HG22 THR 41 2HG2 THR 41 -3.502 1.515 -7.911 298 HG23 THR 41 3HG2 THR 41 -3.972 3.211 -8.000 299 H TRP 42 HN TRP 42 -0.760 1.551 -7.449 300 HA TRP 42 HA TRP 42 -1.155 -1.330 -6.997 301 HB2 TRP 42 2HB TRP 42 1.052 -1.461 -5.941 302 HB3 TRP 42 3HB TRP 42 1.190 -0.930 -7.615 303 HD1 TRP 42 1HD TRP 42 2.492 1.258 -8.031 304 HE1 TRP 42 1HE TRP 42 3.509 3.086 -6.531 305 HE3 TRP 42 3HE TRP 42 0.554 -0.212 -3.535 306 HZ2 TRP 42 2HZ TRP 42 3.491 3.809 -3.802 307 HZ3 TRP 42 3HZ TRP 42 1.102 1.102 -1.528 308 HH2 TRP 42 2HH TRP 42 2.541 3.069 -1.661 309 H ARG 43 HN ARG 43 -1.347 -1.972 -4.796 310 HA ARG 43 HA ARG 43 -1.676 0.167 -2.828 311 HB2 ARG 43 2HB ARG 43 -3.808 -1.779 -3.682 312 HB3 ARG 43 3HB ARG 43 -3.828 -1.035 -2.088 313 HG2 ARG 43 2HG ARG 43 -3.447 0.951 -4.137 314 HG3 ARG 43 3HG ARG 43 -4.893 -0.011 -4.447 315 HD2 ARG 43 2HD ARG 43 -4.560 0.796 -1.653 316 HD3 ARG 43 3HD ARG 43 -4.761 2.142 -2.773 317 HE ARG 43 HE ARG 43 -6.771 0.336 -1.920 318 HH11 ARG 43 1HH1 ARG 43 -5.680 2.132 -4.695 319 HH12 ARG 43 2HH1 ARG 43 -7.254 2.238 -5.409 320 HH21 ARG 43 1HH2 ARG 43 -8.850 0.469 -2.850 321 HH22 ARG 43 2HH2 ARG 43 -9.057 1.293 -4.358 322 H CYS 44 HN CYS 44 -1.168 -0.413 -0.765 323 HA CYS 44 HA CYS 44 0.502 -2.573 -0.298 324 HB2 CYS 44 2HB CYS 44 0.400 -2.010 2.014 325 HB3 CYS 44 3HB CYS 44 0.231 -0.499 1.127 326 H LYS 45 HN LYS 45 0.251 -4.568 0.718 327 HA LYS 45 HA LYS 45 -1.726 -6.240 -0.007 328 HB2 LYS 45 2HB LYS 45 -1.200 -7.231 2.494 329 HB3 LYS 45 3HB LYS 45 -0.219 -7.522 1.063 330 HG2 LYS 45 2HG LYS 45 0.381 -5.050 2.549 331 HG3 LYS 45 3HG LYS 45 0.752 -6.564 3.375 332 HD2 LYS 45 2HD LYS 45 1.697 -5.794 0.614 333 HD3 LYS 45 3HD LYS 45 2.667 -5.726 2.087 334 HE2 LYS 45 2HE LYS 45 1.701 -8.094 0.549 335 HE3 LYS 45 3HE LYS 45 3.305 -7.757 1.200 336 HZ1 LYS 45 1HZ LYS 45 2.455 -8.160 3.421 337 HZ2 LYS 45 2HZ LYS 45 2.192 -9.508 2.436 338 HZ3 LYS 45 3HZ LYS 45 0.910 -8.469 2.805 339 H VAL 46 HN VAL 46 -1.775 -4.187 2.877 340 HA VAL 46 HA VAL 46 -4.156 -5.111 4.005 341 HB VAL 46 HB VAL 46 -3.227 -2.243 4.088 342 HG11 VAL 46 1HG1 VAL 46 -5.411 -3.558 5.239 343 HG12 VAL 46 2HG1 VAL 46 -4.243 -3.344 6.544 344 HG13 VAL 46 3HG1 VAL 46 -4.806 -1.948 5.624 345 HG21 VAL 46 1HG2 VAL 46 -1.956 -4.660 5.117 346 HG22 VAL 46 2HG2 VAL 46 -1.305 -3.032 4.919 347 HG23 VAL 46 3HG2 VAL 46 -2.245 -3.438 6.355 348 H CYS 47 HN CYS 47 -3.588 -2.644 1.538 349 HA CYS 47 HA CYS 47 -6.363 -1.921 1.353 350 HB2 CYS 47 2HB CYS 47 -3.855 -1.169 -0.082 351 HB3 CYS 47 3HB CYS 47 -5.397 -0.840 -0.864 352 H ALA 48 HN ALA 48 -4.089 -3.602 -0.817 353 HA ALA 48 HA ALA 48 -5.876 -4.284 -2.825 354 HB1 ALA 48 1HB ALA 48 -3.914 -6.373 -2.265 355 HB2 ALA 48 2HB ALA 48 -4.138 -5.380 -3.706 356 HB3 ALA 48 3HB ALA 48 -3.223 -4.752 -2.335 357 H LYS 49 HN LYS 49 -5.383 -5.730 0.317 358 HA LYS 49 HA LYS 49 -6.886 -8.109 -0.246 359 HB2 LYS 49 2HB LYS 49 -5.708 -6.873 2.217 360 HB3 LYS 49 3HB LYS 49 -6.866 -8.187 2.371 361 HG2 LYS 49 2HG LYS 49 -4.528 -8.512 0.551 362 HG3 LYS 49 3HG LYS 49 -4.307 -8.674 2.295 363 HD2 LYS 49 2HD LYS 49 -4.764 -10.850 1.669 364 HD3 LYS 49 3HD LYS 49 -6.363 -10.265 2.133 365 HE2 LYS 49 2HE LYS 49 -7.135 -10.268 -0.007 366 HE3 LYS 49 3HE LYS 49 -5.555 -9.890 -0.692 367 HZ1 LYS 49 1HZ LYS 49 -4.882 -12.193 -0.186 368 HZ2 LYS 49 2HZ LYS 49 -6.159 -12.110 -1.291 369 HZ3 LYS 49 3HZ LYS 49 -6.462 -12.530 0.319 370 H GLU 50 HN GLU 50 -7.546 -4.972 1.208 371 HA GLU 50 HA GLU 50 -9.506 -3.884 1.619 372 HB2 GLU 50 2HB GLU 50 -10.081 -5.349 -0.581 373 HB3 GLU 50 3HB GLU 50 -11.244 -6.025 0.551 374 HG2 GLU 50 2HG GLU 50 -12.229 -3.885 0.927 375 HG3 GLU 50 3HG GLU 50 -10.960 -3.083 0.003 376 H ILE 51 HN ILE 51 -10.935 -3.772 3.311 377 HA ILE 51 HA ILE 51 -11.663 -6.213 4.728 378 HB ILE 51 HB ILE 51 -10.842 -4.298 6.696 379 HG12 ILE 51 2HG1 ILE 51 -8.570 -5.265 4.962 380 HG13 ILE 51 3HG1 ILE 51 -9.272 -3.660 4.792 381 HG21 ILE 51 1HG2 ILE 51 -9.350 -6.284 7.324 382 HG22 ILE 51 2HG2 ILE 51 -11.096 -6.527 7.339 383 HG23 ILE 51 3HG2 ILE 51 -10.134 -7.124 5.987 384 HD11 ILE 51 1HD1 ILE 51 -7.557 -3.170 6.188 385 HD12 ILE 51 2HD1 ILE 51 -8.778 -3.585 7.392 386 HD13 ILE 51 3HD1 ILE 51 -7.557 -4.770 6.931 387 H GLU 52 HN GLU 52 -12.604 -4.986 7.062 388 HA GLU 52 HA GLU 52 -14.686 -3.176 6.029 389 HB2 GLU 52 2HB GLU 52 -14.932 -5.736 7.428 390 HB3 GLU 52 3HB GLU 52 -15.868 -4.445 8.169 391 HG2 GLU 52 2HG GLU 52 -17.231 -5.637 6.589 392 HG3 GLU 52 3HG GLU 52 -16.939 -4.000 6.006 393 H LEU 53 HN LEU 53 -14.025 -4.390 9.292 394 HA LEU 53 HA LEU 53 -14.055 -1.666 10.297 395 HB2 LEU 53 2HB LEU 53 -15.093 -3.903 11.305 396 HB3 LEU 53 3HB LEU 53 -13.513 -3.970 12.081 397 HG LEU 53 HG LEU 53 -15.218 -2.960 13.525 398 HD11 LEU 53 1HD1 LEU 53 -12.668 -1.943 12.918 399 HD12 LEU 53 2HD1 LEU 53 -13.574 -1.775 14.421 400 HD13 LEU 53 3HD1 LEU 53 -13.722 -0.550 13.162 401 HD21 LEU 53 1HD2 LEU 53 -16.310 -0.932 13.004 402 HD22 LEU 53 2HD2 LEU 53 -16.514 -1.971 11.594 403 HD23 LEU 53 3HD2 LEU 53 -15.316 -0.676 11.570 Start of MODEL 20 1 H1 SER 1 HN SER 1 7.198 9.721 11.849 2 HA SER 1 HA SER 1 7.393 11.426 9.542 3 HB2 SER 1 2HB SER 1 8.856 12.586 11.641 4 HB3 SER 1 3HB SER 1 7.195 12.952 11.174 5 HG SER 1 HG SER 1 6.448 11.637 12.728 6 H ASP 2 HN ASP 2 8.993 8.905 9.688 7 HA ASP 2 HA ASP 2 11.626 10.121 9.177 8 HB2 ASP 2 2HB ASP 2 11.013 7.518 10.579 9 HB3 ASP 2 3HB ASP 2 12.609 7.919 9.952 10 H ARG 3 HN ARG 3 9.038 8.415 7.954 11 HA ARG 3 HA ARG 3 8.695 7.674 5.801 12 HB2 ARG 3 2HB ARG 3 11.650 7.511 5.310 13 HB3 ARG 3 3HB ARG 3 10.351 7.795 4.160 14 HG2 ARG 3 2HG ARG 3 10.345 9.908 6.063 15 HG3 ARG 3 3HG ARG 3 11.991 9.687 5.466 16 HD2 ARG 3 2HD ARG 3 11.402 10.165 3.284 17 HD3 ARG 3 3HD ARG 3 9.712 9.729 3.536 18 HE ARG 3 HE ARG 3 10.562 12.042 5.024 19 HH11 ARG 3 1HH1 ARG 3 9.280 10.876 2.004 20 HH12 ARG 3 2HH1 ARG 3 8.557 12.392 1.576 21 HH21 ARG 3 1HH2 ARG 3 9.615 14.043 4.471 22 HH22 ARG 3 2HH2 ARG 3 8.749 14.192 2.980 23 H THR 4 HN THR 4 8.266 5.896 7.534 24 HA THR 4 HA THR 4 9.926 3.547 6.884 25 HB THR 4 HB THR 4 8.255 3.114 9.193 26 HG1 THR 4 1HG THR 4 9.754 5.497 9.096 27 HG21 THR 4 1HG2 THR 4 11.261 3.296 8.985 28 HG22 THR 4 2HG2 THR 4 10.320 1.877 8.524 29 HG23 THR 4 3HG2 THR 4 10.324 2.426 10.199 30 H CYS 5 HN CYS 5 8.889 1.572 6.471 31 HA CYS 5 HA CYS 5 6.518 1.714 4.984 32 HB2 CYS 5 2HB CYS 5 8.229 -0.047 4.693 33 HB3 CYS 5 3HB CYS 5 7.778 -0.726 6.253 34 H ALA 6 HN ALA 6 4.412 1.113 5.411 35 HA ALA 6 HA ALA 6 3.625 1.282 8.203 36 HB1 ALA 6 1HB ALA 6 1.328 0.948 6.669 37 HB2 ALA 6 2HB ALA 6 1.988 2.467 7.276 38 HB3 ALA 6 3HB ALA 6 2.412 1.907 5.660 39 H ARG 7 HN ARG 7 4.843 -1.165 6.749 40 HA ARG 7 HA ARG 7 2.927 -3.089 7.869 41 HB2 ARG 7 2HB ARG 7 4.460 -3.835 5.417 42 HB3 ARG 7 3HB ARG 7 2.924 -4.455 6.007 43 HG2 ARG 7 2HG ARG 7 3.306 -1.705 4.847 44 HG3 ARG 7 3HG ARG 7 2.747 -3.108 3.934 45 HD2 ARG 7 2HD ARG 7 1.229 -1.316 5.515 46 HD3 ARG 7 3HD ARG 7 0.671 -2.727 4.617 47 HE ARG 7 HE ARG 7 1.167 -2.552 7.462 48 HH11 ARG 7 1HH1 ARG 7 0.678 -4.625 4.709 49 HH12 ARG 7 2HH1 ARG 7 0.180 -5.986 5.657 50 HH21 ARG 7 1HH2 ARG 7 0.513 -4.337 8.722 51 HH22 ARG 7 2HH2 ARG 7 0.085 -5.821 7.940 52 H CYS 8 HN CYS 8 6.232 -2.586 6.670 53 HA CYS 8 HA CYS 8 7.178 -4.694 8.478 54 HB2 CYS 8 2HB CYS 8 8.890 -3.273 6.455 55 HB3 CYS 8 3HB CYS 8 9.099 -4.880 7.143 56 H GLN 9 HN GLN 9 7.068 -1.296 8.089 57 HA GLN 9 HA GLN 9 7.782 0.418 9.408 58 HB2 GLN 9 2HB GLN 9 7.756 -1.865 11.148 59 HB3 GLN 9 3HB GLN 9 9.131 -0.845 11.548 60 HG2 GLN 9 2HG GLN 9 7.813 0.928 12.171 61 HG3 GLN 9 3HG GLN 9 6.452 0.402 11.181 62 HE21 GLN 9 1HE2 GLN 9 5.711 -1.923 11.896 63 HE22 GLN 9 2HE2 GLN 9 5.417 -2.078 13.591 64 H GLU 10 HN GLU 10 9.503 -0.951 7.408 65 HA GLU 10 HA GLU 10 12.184 -0.507 8.472 66 HB2 GLU 10 2HB GLU 10 11.072 -1.810 6.023 67 HB3 GLU 10 3HB GLU 10 12.727 -1.220 5.991 68 HG2 GLU 10 2HG GLU 10 13.326 -2.632 7.838 69 HG3 GLU 10 3HG GLU 10 11.651 -3.139 8.040 70 H SER 11 HN SER 11 13.568 1.073 7.770 71 HA SER 11 HA SER 11 12.540 3.534 7.009 72 HB2 SER 11 2HB SER 11 14.783 3.113 8.070 73 HB3 SER 11 3HB SER 11 15.371 2.604 6.487 74 HG SER 11 HG SER 11 15.740 4.647 6.190 75 H LEU 12 HN LEU 12 12.267 4.600 5.104 76 HA LEU 12 HA LEU 12 12.326 2.958 2.690 77 HB2 LEU 12 2HB LEU 12 11.021 5.571 3.386 78 HB3 LEU 12 3HB LEU 12 11.091 4.972 1.730 79 HG LEU 12 HG LEU 12 9.011 4.556 3.366 80 HD11 LEU 12 1HD1 LEU 12 9.105 2.214 1.860 81 HD12 LEU 12 2HD1 LEU 12 10.048 3.390 0.944 82 HD13 LEU 12 3HD1 LEU 12 8.382 3.753 1.395 83 HD21 LEU 12 1HD2 LEU 12 10.402 3.270 4.958 84 HD22 LEU 12 2HD2 LEU 12 10.709 2.084 3.689 85 HD23 LEU 12 3HD2 LEU 12 9.068 2.331 4.288 86 H GLY 13 HN GLY 13 14.580 4.620 4.153 87 HA2 GLY 13 1HA GLY 13 15.614 6.674 2.795 88 HA3 GLY 13 2HA GLY 13 16.626 5.327 3.295 89 H ARG 14 HN ARG 14 16.972 3.584 1.780 90 HA ARG 14 HA ARG 14 17.365 4.576 -0.883 91 HB2 ARG 14 2HB ARG 14 18.109 2.141 0.639 92 HB3 ARG 14 3HB ARG 14 17.999 1.971 -1.108 93 HG2 ARG 14 2HG ARG 14 19.754 3.409 -1.496 94 HG3 ARG 14 3HG ARG 14 19.563 4.227 0.055 95 HD2 ARG 14 2HD ARG 14 20.772 2.668 1.181 96 HD3 ARG 14 3HD ARG 14 20.245 1.349 0.135 97 HE ARG 14 HE ARG 14 22.099 1.691 -1.155 98 HH11 ARG 14 1HH1 ARG 14 21.563 4.509 0.817 99 HH12 ARG 14 2HH1 ARG 14 23.046 5.276 0.354 100 HH21 ARG 14 1HH2 ARG 14 24.054 2.691 -1.773 101 HH22 ARG 14 2HH2 ARG 14 24.462 4.241 -1.121 102 H LEU 15 HN LEU 15 14.741 4.765 -0.594 103 HA LEU 15 HA LEU 15 13.732 2.763 -2.453 104 HB2 LEU 15 2HB LEU 15 13.217 2.080 -0.058 105 HB3 LEU 15 3HB LEU 15 12.146 3.477 -0.003 106 HG LEU 15 HG LEU 15 10.610 2.520 -1.444 107 HD11 LEU 15 1HD1 LEU 15 11.113 0.559 -2.871 108 HD12 LEU 15 2HD1 LEU 15 12.796 0.659 -2.355 109 HD13 LEU 15 3HD1 LEU 15 12.075 1.983 -3.269 110 HD21 LEU 15 1HD2 LEU 15 10.468 0.047 -0.732 111 HD22 LEU 15 2HD2 LEU 15 10.355 1.291 0.514 112 HD23 LEU 15 3HD2 LEU 15 11.868 0.414 0.276 113 H SER 16 HN SER 16 14.352 5.779 -2.128 114 HA SER 16 HA SER 16 13.353 7.812 -2.588 115 HB2 SER 16 2HB SER 16 12.526 6.006 -4.868 116 HB3 SER 16 3HB SER 16 12.328 7.759 -4.900 117 HG SER 16 HG SER 16 14.328 7.848 -5.497 118 HA PRO 17 HA PRO 17 9.187 6.747 -0.859 119 HB2 PRO 17 2HB PRO 17 9.312 8.559 1.160 120 HB3 PRO 17 3HB PRO 17 9.970 6.924 1.294 121 HG2 PRO 17 2HG PRO 17 11.388 9.495 0.706 122 HG3 PRO 17 3HG PRO 17 11.874 8.169 1.779 123 HD2 PRO 17 2HD PRO 17 12.898 8.480 -0.708 124 HD3 PRO 17 3HD PRO 17 12.671 6.886 0.039 125 H LYS 18 HN LYS 18 9.034 7.957 -3.123 126 HA LYS 18 HA LYS 18 7.731 10.541 -2.576 127 HB2 LYS 18 2HB LYS 18 8.652 10.386 -5.297 128 HB3 LYS 18 3HB LYS 18 9.012 11.595 -4.072 129 HG2 LYS 18 2HG LYS 18 10.452 8.968 -4.363 130 HG3 LYS 18 3HG LYS 18 11.024 10.513 -4.997 131 HD2 LYS 18 2HD LYS 18 10.347 10.843 -2.246 132 HD3 LYS 18 3HD LYS 18 11.394 9.431 -2.406 133 HE2 LYS 18 2HE LYS 18 13.171 10.660 -3.115 134 HE3 LYS 18 3HE LYS 18 12.160 11.859 -3.921 135 HZ1 LYS 18 1HZ LYS 18 11.505 12.483 -1.516 136 HZ2 LYS 18 2HZ LYS 18 12.983 13.024 -2.135 137 HZ3 LYS 18 3HZ LYS 18 12.939 11.696 -1.089 138 H THR 19 HN THR 19 7.411 7.413 -3.684 139 HA THR 19 HA THR 19 4.766 7.989 -4.744 140 HB THR 19 HB THR 19 5.109 7.453 -6.887 141 HG1 THR 19 1HG THR 19 7.055 5.481 -6.498 142 HG21 THR 19 1HG2 THR 19 8.025 7.531 -6.099 143 HG22 THR 19 2HG2 THR 19 7.033 8.913 -6.567 144 HG23 THR 19 3HG2 THR 19 7.406 7.657 -7.746 145 H ASN 20 HN ASN 20 6.388 6.440 -2.563 146 HA ASN 20 HA ASN 20 5.156 3.804 -2.942 147 HB2 ASN 20 2HB ASN 20 7.245 4.718 -0.951 148 HB3 ASN 20 3HB ASN 20 6.625 3.075 -1.092 149 HD21 ASN 20 1HD2 ASN 20 9.325 4.347 -1.484 150 HD22 ASN 20 2HD2 ASN 20 9.843 3.777 -3.031 151 H THR 21 HN THR 21 3.656 6.214 -2.198 152 HA THR 21 HA THR 21 2.819 5.518 0.536 153 HB THR 21 HB THR 21 2.182 8.029 -1.025 154 HG1 THR 21 1HG THR 21 4.359 8.044 -0.495 155 HG21 THR 21 1HG2 THR 21 1.996 8.104 1.882 156 HG22 THR 21 2HG2 THR 21 0.872 6.957 1.154 157 HG23 THR 21 3HG2 THR 21 0.846 8.650 0.662 158 H CYS 22 HN CYS 22 1.363 3.893 0.276 159 HA CYS 22 HA CYS 22 -0.369 3.299 -1.693 160 HB2 CYS 22 2HB CYS 22 -0.115 2.082 0.493 161 HB3 CYS 22 3HB CYS 22 -1.194 3.272 1.215 162 H ARG 23 HN ARG 23 -2.072 4.174 -2.682 163 HA ARG 23 HA ARG 23 -2.966 6.798 -1.897 164 HB2 ARG 23 2HB ARG 23 -4.474 5.419 -4.009 165 HB3 ARG 23 3HB ARG 23 -3.701 6.998 -4.022 166 HG2 ARG 23 2HG ARG 23 -1.500 5.610 -4.149 167 HG3 ARG 23 3HG ARG 23 -2.571 4.330 -4.720 168 HD2 ARG 23 2HD ARG 23 -2.061 5.292 -6.719 169 HD3 ARG 23 3HD ARG 23 -3.456 6.277 -6.282 170 HE ARG 23 HE ARG 23 -2.055 8.064 -6.304 171 HH11 ARG 23 1HH1 ARG 23 -0.195 5.238 -5.483 172 HH12 ARG 23 2HH1 ARG 23 1.305 6.097 -5.368 173 HH21 ARG 23 1HH2 ARG 23 -0.086 9.207 -6.155 174 HH22 ARG 23 2HH2 ARG 23 1.365 8.355 -5.748 175 H GLY 24 HN GLY 24 -3.767 3.771 -0.877 176 HA2 GLY 24 1HA GLY 24 -6.638 4.252 -0.640 177 HA3 GLY 24 2HA GLY 24 -5.787 2.783 -0.184 178 H CYS 25 HN CYS 25 -3.858 3.714 1.514 179 HA CYS 25 HA CYS 25 -5.486 4.720 3.747 180 HB2 CYS 25 2HB CYS 25 -3.503 3.763 5.112 181 HB3 CYS 25 3HB CYS 25 -4.650 2.637 4.393 182 H ASN 26 HN ASN 26 -2.826 5.448 1.711 183 HA ASN 26 HA ASN 26 -1.672 7.418 1.480 184 HB2 ASN 26 2HB ASN 26 -3.778 8.274 2.931 185 HB3 ASN 26 3HB ASN 26 -2.489 8.537 4.102 186 HD21 ASN 26 1HD2 ASN 26 -3.397 9.178 0.749 187 HD22 ASN 26 2HD2 ASN 26 -2.596 10.705 0.640 188 H HIS 27 HN HIS 27 -0.964 4.980 3.145 189 HA HIS 27 HA HIS 27 1.138 6.175 4.819 190 HB2 HIS 27 2HB HIS 27 0.014 3.365 4.829 191 HB3 HIS 27 3HB HIS 27 1.293 3.950 5.890 192 HD1 HIS 27 1HD HIS 27 0.111 6.605 6.809 193 HD2 HIS 27 2HD HIS 27 -2.081 3.087 6.530 194 HE1 HIS 27 1HE HIS 27 -1.836 6.900 8.373 195 H LEU 28 HN LEU 28 3.253 5.109 4.810 196 HA LEU 28 HA LEU 28 4.172 4.700 2.130 197 HB2 LEU 28 2HB LEU 28 5.439 4.795 4.828 198 HB3 LEU 28 3HB LEU 28 6.348 4.125 3.474 199 HG LEU 28 HG LEU 28 5.229 6.923 3.642 200 HD11 LEU 28 1HD1 LEU 28 8.094 6.633 3.359 201 HD12 LEU 28 2HD1 LEU 28 7.498 5.876 4.836 202 HD13 LEU 28 3HD1 LEU 28 7.162 7.579 4.520 203 HD21 LEU 28 1HD2 LEU 28 7.059 6.892 1.622 204 HD22 LEU 28 2HD2 LEU 28 5.311 6.787 1.407 205 HD23 LEU 28 3HD2 LEU 28 6.287 5.318 1.434 206 H VAL 29 HN VAL 29 5.140 2.846 1.257 207 HA VAL 29 HA VAL 29 5.052 0.353 2.727 208 HB VAL 29 HB VAL 29 3.732 -0.090 0.190 209 HG11 VAL 29 1HG1 VAL 29 2.738 -1.723 1.362 210 HG12 VAL 29 2HG1 VAL 29 3.908 -1.316 2.619 211 HG13 VAL 29 3HG1 VAL 29 2.280 -0.638 2.674 212 HG21 VAL 29 1HG2 VAL 29 2.892 2.217 0.698 213 HG22 VAL 29 2HG2 VAL 29 1.639 0.982 0.590 214 HG23 VAL 29 3HG2 VAL 29 2.171 1.561 2.169 215 H CYS 30 HN CYS 30 6.909 -0.609 2.271 216 HA CYS 30 HA CYS 30 8.735 0.119 0.356 217 HB2 CYS 30 2HB CYS 30 9.791 -2.075 0.704 218 HB3 CYS 30 3HB CYS 30 9.287 -1.354 2.229 219 H ARG 31 HN ARG 31 9.570 -1.525 -1.386 220 HA ARG 31 HA ARG 31 7.460 -1.720 -3.344 221 HB2 ARG 31 2HB ARG 31 9.187 -2.199 -4.927 222 HB3 ARG 31 3HB ARG 31 9.782 -0.925 -3.869 223 HG2 ARG 31 2HG ARG 31 11.220 -2.402 -2.730 224 HG3 ARG 31 3HG ARG 31 10.434 -3.821 -3.425 225 HD2 ARG 31 2HD ARG 31 11.901 -3.797 -5.090 226 HD3 ARG 31 3HD ARG 31 11.307 -2.209 -5.574 227 HE ARG 31 HE ARG 31 13.125 -1.937 -3.438 228 HH11 ARG 31 1HH1 ARG 31 13.022 -2.715 -6.829 229 HH12 ARG 31 2HH1 ARG 31 14.628 -2.142 -7.142 230 HH21 ARG 31 1HH2 ARG 31 15.239 -1.179 -3.837 231 HH22 ARG 31 2HH2 ARG 31 15.888 -1.269 -5.440 232 H ASP 32 HN ASP 32 7.852 -3.575 -0.882 233 HA ASP 32 HA ASP 32 7.529 -6.095 -2.377 234 HB2 ASP 32 2HB ASP 32 9.564 -6.259 -1.119 235 HB3 ASP 32 3HB ASP 32 8.786 -5.626 0.330 236 H CYS 33 HN CYS 33 6.069 -3.815 -0.395 237 HA CYS 33 HA CYS 33 4.089 -5.740 0.613 238 HB2 CYS 33 2HB CYS 33 4.848 -2.956 1.480 239 HB3 CYS 33 3HB CYS 33 3.346 -3.711 2.004 240 H ARG 34 HN ARG 34 4.459 -4.235 -2.108 241 HA ARG 34 HA ARG 34 1.818 -2.978 -2.259 242 HB2 ARG 34 2HB ARG 34 3.621 -3.049 -4.620 243 HB3 ARG 34 3HB ARG 34 2.574 -1.760 -4.042 244 HG2 ARG 34 2HG ARG 34 4.145 -1.128 -2.367 245 HG3 ARG 34 3HG ARG 34 5.136 -2.554 -2.683 246 HD2 ARG 34 2HD ARG 34 4.585 -0.437 -4.751 247 HD3 ARG 34 3HD ARG 34 5.974 -0.385 -3.666 248 HE ARG 34 HE ARG 34 5.987 -2.876 -4.889 249 HH11 ARG 34 1HH1 ARG 34 6.271 0.469 -5.814 250 HH12 ARG 34 2HH1 ARG 34 7.278 0.139 -7.185 251 HH21 ARG 34 1HH2 ARG 34 7.314 -3.323 -6.690 252 HH22 ARG 34 2HH2 ARG 34 7.871 -2.018 -7.682 253 H ILE 35 HN ILE 35 0.172 -3.784 -3.459 254 HA ILE 35 HA ILE 35 0.616 -6.419 -4.693 255 HB ILE 35 HB ILE 35 -1.695 -5.231 -3.238 256 HG12 ILE 35 2HG1 ILE 35 -1.827 -7.673 -2.491 257 HG13 ILE 35 3HG1 ILE 35 -0.308 -7.907 -3.348 258 HG21 ILE 35 1HG2 ILE 35 -1.893 -6.954 -5.650 259 HG22 ILE 35 2HG2 ILE 35 -2.985 -7.276 -4.304 260 HG23 ILE 35 3HG2 ILE 35 -2.976 -5.689 -5.071 261 HD11 ILE 35 1HD1 ILE 35 -0.404 -5.675 -1.423 262 HD12 ILE 35 2HD1 ILE 35 -0.445 -7.308 -0.758 263 HD13 ILE 35 3HD1 ILE 35 0.895 -6.810 -1.790 264 H GLN 36 HN GLN 36 1.093 -5.963 -6.788 265 HA GLN 36 HA GLN 36 0.373 -3.971 -8.432 266 HB2 GLN 36 2HB GLN 36 1.058 -6.775 -8.813 267 HB3 GLN 36 3HB GLN 36 0.020 -6.164 -10.096 268 HG2 GLN 36 2HG GLN 36 2.748 -5.233 -9.287 269 HG3 GLN 36 3HG GLN 36 2.191 -5.803 -10.859 270 HE21 GLN 36 1HE2 GLN 36 -0.237 -4.257 -10.831 271 HE22 GLN 36 2HE2 GLN 36 0.216 -2.611 -11.097 272 H GLU 37 HN GLU 37 -1.586 -3.010 -8.325 273 HA GLU 37 HA GLU 37 -4.022 -4.563 -8.332 274 HB2 GLU 37 2HB GLU 37 -3.402 -1.624 -8.227 275 HB3 GLU 37 3HB GLU 37 -5.044 -2.191 -8.496 276 HG2 GLU 37 2HG GLU 37 -3.343 -2.932 -6.128 277 HG3 GLU 37 3HG GLU 37 -4.558 -1.656 -6.138 278 H SER 38 HN SER 38 -5.763 -4.109 -9.897 279 HA SER 38 HA SER 38 -4.668 -4.085 -12.603 280 HB2 SER 38 2HB SER 38 -6.944 -5.335 -11.290 281 HB3 SER 38 3HB SER 38 -7.412 -4.537 -12.791 282 HG SER 38 HG SER 38 -5.664 -5.708 -13.796 283 H ASN 39 HN ASN 39 -5.358 -1.713 -10.692 284 HA ASN 39 HA ASN 39 -7.080 -0.217 -12.545 285 HB2 ASN 39 2HB ASN 39 -7.515 -0.404 -9.976 286 HB3 ASN 39 3HB ASN 39 -6.242 0.807 -9.851 287 HD21 ASN 39 1HD2 ASN 39 -6.718 2.879 -10.232 288 HD22 ASN 39 2HD2 ASN 39 -8.253 3.456 -10.775 289 H GLY 40 HN GLY 40 -4.233 -0.813 -13.004 290 HA2 GLY 40 1HA GLY 40 -2.448 0.298 -13.935 291 HA3 GLY 40 2HA GLY 40 -3.426 1.758 -13.896 292 H THR 41 HN THR 41 -3.125 0.234 -10.877 293 HA THR 41 HA THR 41 -0.771 1.802 -10.129 294 HB THR 41 HB THR 41 -2.890 3.148 -9.694 295 HG1 THR 41 1HG THR 41 -0.995 3.665 -8.594 296 HG21 THR 41 1HG2 THR 41 -4.465 2.471 -8.209 297 HG22 THR 41 2HG2 THR 41 -3.302 1.601 -7.207 298 HG23 THR 41 3HG2 THR 41 -3.908 0.871 -8.693 299 H TRP 42 HN TRP 42 -1.203 1.418 -7.312 300 HA TRP 42 HA TRP 42 -1.299 -1.477 -6.966 301 HB2 TRP 42 2HB TRP 42 0.862 -1.532 -5.798 302 HB3 TRP 42 3HB TRP 42 1.053 -1.017 -7.472 303 HD1 TRP 42 1HD TRP 42 2.211 1.265 -7.884 304 HE1 TRP 42 1HE TRP 42 3.144 3.119 -6.362 305 HE3 TRP 42 3HE TRP 42 0.354 -0.353 -3.405 306 HZ2 TRP 42 2HZ TRP 42 3.099 3.804 -3.624 307 HZ3 TRP 42 3HZ TRP 42 0.846 0.957 -1.381 308 HH2 TRP 42 2HH TRP 42 2.191 2.993 -1.491 309 H ARG 43 HN ARG 43 -1.530 -2.140 -4.764 310 HA ARG 43 HA ARG 43 -2.077 -0.010 -2.829 311 HB2 ARG 43 2HB ARG 43 -4.002 -2.170 -3.675 312 HB3 ARG 43 3HB ARG 43 -4.151 -1.328 -2.140 313 HG2 ARG 43 2HG ARG 43 -3.873 0.440 -4.455 314 HG3 ARG 43 3HG ARG 43 -5.326 -0.561 -4.466 315 HD2 ARG 43 2HD ARG 43 -5.497 0.231 -1.966 316 HD3 ARG 43 3HD ARG 43 -4.487 1.556 -2.544 317 HE ARG 43 HE ARG 43 -6.305 2.409 -3.633 318 HH11 ARG 43 1HH1 ARG 43 -6.927 -0.923 -2.836 319 HH12 ARG 43 2HH1 ARG 43 -8.582 -0.872 -3.345 320 HH21 ARG 43 1HH2 ARG 43 -8.483 2.489 -4.306 321 HH22 ARG 43 2HH2 ARG 43 -9.466 1.069 -4.182 322 H CYS 44 HN CYS 44 -1.364 -0.462 -0.833 323 HA CYS 44 HA CYS 44 0.410 -2.425 -0.229 324 HB2 CYS 44 2HB CYS 44 0.048 -1.954 2.099 325 HB3 CYS 44 3HB CYS 44 -0.157 -0.451 1.204 326 H LYS 45 HN LYS 45 0.187 -4.257 1.347 327 HA LYS 45 HA LYS 45 -1.697 -6.143 0.331 328 HB2 LYS 45 2HB LYS 45 -0.289 -6.773 2.852 329 HB3 LYS 45 3HB LYS 45 -0.436 -7.718 1.377 330 HG2 LYS 45 2HG LYS 45 1.182 -5.986 0.367 331 HG3 LYS 45 3HG LYS 45 1.529 -5.566 2.046 332 HD2 LYS 45 2HD LYS 45 3.128 -7.168 1.689 333 HD3 LYS 45 3HD LYS 45 1.808 -8.176 2.288 334 HE2 LYS 45 2HE LYS 45 1.146 -8.507 -0.132 335 HE3 LYS 45 3HE LYS 45 2.683 -7.758 -0.562 336 HZ1 LYS 45 1HZ LYS 45 3.791 -9.499 0.773 337 HZ2 LYS 45 2HZ LYS 45 2.948 -10.116 -0.556 338 HZ3 LYS 45 3HZ LYS 45 2.294 -10.254 0.998 339 H VAL 46 HN VAL 46 -2.003 -3.719 2.577 340 HA VAL 46 HA VAL 46 -3.887 -5.155 4.287 341 HB VAL 46 HB VAL 46 -3.183 -2.234 4.491 342 HG11 VAL 46 1HG1 VAL 46 -4.345 -4.281 6.359 343 HG12 VAL 46 2HG1 VAL 46 -3.674 -2.752 6.932 344 HG13 VAL 46 3HG1 VAL 46 -5.049 -2.755 5.827 345 HG21 VAL 46 1HG2 VAL 46 -1.184 -3.881 4.487 346 HG22 VAL 46 2HG2 VAL 46 -1.302 -2.681 5.774 347 HG23 VAL 46 3HG2 VAL 46 -1.782 -4.351 6.079 348 H CYS 47 HN CYS 47 -3.836 -3.039 1.580 349 HA CYS 47 HA CYS 47 -6.669 -2.362 1.922 350 HB2 CYS 47 2HB CYS 47 -4.479 -1.244 0.185 351 HB3 CYS 47 3HB CYS 47 -6.174 -0.893 -0.138 352 H ALA 48 HN ALA 48 -4.446 -3.606 -0.568 353 HA ALA 48 HA ALA 48 -6.489 -4.379 -2.370 354 HB1 ALA 48 1HB ALA 48 -3.888 -5.807 -2.404 355 HB2 ALA 48 2HB ALA 48 -4.813 -5.102 -3.730 356 HB3 ALA 48 3HB ALA 48 -3.872 -4.062 -2.662 357 H LYS 49 HN LYS 49 -4.911 -5.981 0.312 358 HA LYS 49 HA LYS 49 -6.714 -8.278 -0.078 359 HB2 LYS 49 2HB LYS 49 -3.826 -8.237 0.091 360 HB3 LYS 49 3HB LYS 49 -4.512 -9.203 1.390 361 HG2 LYS 49 2HG LYS 49 -5.788 -9.784 -1.134 362 HG3 LYS 49 3HG LYS 49 -4.039 -10.006 -1.222 363 HD2 LYS 49 2HD LYS 49 -5.420 -11.092 1.164 364 HD3 LYS 49 3HD LYS 49 -5.698 -11.919 -0.370 365 HE2 LYS 49 2HE LYS 49 -3.839 -13.043 0.305 366 HE3 LYS 49 3HE LYS 49 -3.057 -11.699 -0.526 367 HZ1 LYS 49 1HZ LYS 49 -1.956 -11.563 1.419 368 HZ2 LYS 49 2HZ LYS 49 -3.184 -12.303 2.317 369 HZ3 LYS 49 3HZ LYS 49 -3.308 -10.668 1.900 370 H GLU 50 HN GLU 50 -7.505 -9.276 1.814 371 HA GLU 50 HA GLU 50 -7.129 -7.720 4.286 372 HB2 GLU 50 2HB GLU 50 -9.439 -7.729 2.833 373 HB3 GLU 50 3HB GLU 50 -9.735 -9.048 3.957 374 HG2 GLU 50 2HG GLU 50 -9.230 -7.529 5.829 375 HG3 GLU 50 3HG GLU 50 -9.030 -6.212 4.675 376 H ILE 51 HN ILE 51 -5.836 -10.186 3.371 377 HA ILE 51 HA ILE 51 -5.369 -12.320 4.053 378 HB ILE 51 HB ILE 51 -6.183 -11.440 6.806 379 HG12 ILE 51 2HG1 ILE 51 -4.959 -9.579 5.652 380 HG13 ILE 51 3HG1 ILE 51 -4.125 -10.223 7.062 381 HG21 ILE 51 1HG2 ILE 51 -4.502 -12.886 7.557 382 HG22 ILE 51 2HG2 ILE 51 -5.276 -13.759 6.235 383 HG23 ILE 51 3HG2 ILE 51 -3.730 -12.953 5.973 384 HD11 ILE 51 1HD1 ILE 51 -3.496 -11.146 4.281 385 HD12 ILE 51 2HD1 ILE 51 -2.727 -9.735 5.009 386 HD13 ILE 51 3HD1 ILE 51 -2.532 -11.324 5.746 387 H GLU 52 HN GLU 52 -7.267 -13.153 2.917 388 HA GLU 52 HA GLU 52 -9.259 -14.276 2.758 389 HB2 GLU 52 2HB GLU 52 -7.941 -16.044 3.658 390 HB3 GLU 52 3HB GLU 52 -8.033 -15.378 5.282 391 HG2 GLU 52 2HG GLU 52 -10.070 -16.257 5.681 392 HG3 GLU 52 3HG GLU 52 -10.601 -16.070 4.011 393 H LEU 53 HN LEU 53 -9.449 -14.475 6.234 394 HA LEU 53 HA LEU 53 -12.102 -13.567 6.337 395 HB2 LEU 53 2HB LEU 53 -10.387 -14.809 8.065 396 HB3 LEU 53 3HB LEU 53 -10.553 -13.214 8.796 397 HG LEU 53 HG LEU 53 -12.252 -14.255 9.871 398 HD11 LEU 53 1HD1 LEU 53 -13.136 -12.503 8.154 399 HD12 LEU 53 2HD1 LEU 53 -14.269 -13.508 9.058 400 HD13 LEU 53 3HD1 LEU 53 -13.871 -13.912 7.388 401 HD21 LEU 53 1HD2 LEU 53 -13.590 -15.949 8.073 402 HD22 LEU 53 2HD2 LEU 53 -12.565 -16.408 9.435 403 HD23 LEU 53 3HD2 LEU 53 -11.865 -16.223 7.826
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