NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505796 | 2yu8 | 10234 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -34.224 -1.965 -7.566 2 HA2 GLY 1 1HA GLY 1 -33.777 -4.409 -5.979 3 HA3 GLY 1 2HA GLY 1 -33.450 -4.401 -7.706 4 H SER 2 H SER 2 -31.311 -4.491 -7.932 5 HA SER 2 HA SER 2 -29.334 -3.828 -6.196 6 HB2 SER 2 1HB SER 2 -28.705 -4.937 -8.193 7 HB3 SER 2 2HB SER 2 -29.380 -3.662 -9.207 8 HG SER 2 HG SER 2 -26.942 -3.793 -7.901 9 H SER 3 H SER 3 -29.177 -2.017 -5.042 10 HA SER 3 HA SER 3 -29.747 0.560 -6.303 11 HB2 SER 3 1HB SER 3 -29.559 1.429 -3.942 12 HB3 SER 3 2HB SER 3 -30.850 0.254 -4.194 13 HG SER 3 HG SER 3 -29.922 -0.659 -2.525 14 H GLY 4 H GLY 4 -28.278 2.301 -6.238 15 HA2 GLY 4 1HA GLY 4 -25.493 1.443 -6.344 16 HA3 GLY 4 2HA GLY 4 -26.131 2.980 -6.908 17 H SER 5 H SER 5 -25.329 1.138 -3.997 18 HA SER 5 HA SER 5 -25.710 2.969 -2.019 19 HB2 SER 5 1HB SER 5 -23.336 1.117 -2.341 20 HB3 SER 5 2HB SER 5 -23.784 1.926 -0.839 21 HG SER 5 HG SER 5 -25.959 0.806 -1.463 22 H SER 6 H SER 6 -25.158 5.026 -1.834 23 HA SER 6 HA SER 6 -22.901 6.084 -3.326 24 HB2 SER 6 1HB SER 6 -25.233 7.259 -1.874 25 HB3 SER 6 2HB SER 6 -23.803 8.263 -2.114 26 HG SER 6 HG SER 6 -25.296 8.467 -3.837 27 H GLY 7 H GLY 7 -21.488 7.733 -2.185 28 HA2 GLY 7 1HA GLY 7 -20.140 8.383 -0.407 29 HA3 GLY 7 2HA GLY 7 -21.052 7.308 0.642 30 H THR 8 H THR 8 -19.363 6.512 -2.365 31 HA THR 8 HA THR 8 -17.521 4.831 -0.793 32 HB THR 8 HB THR 8 -18.600 4.096 -3.517 33 HG1 THR 8 HG1 THR 8 -19.595 3.644 -0.944 34 HG21 THR 8 3HG2 THR 8 -17.096 2.454 -3.472 35 HG22 THR 8 1HG2 THR 8 -17.687 1.911 -1.903 36 HG23 THR 8 2HG2 THR 8 -16.427 3.142 -1.993 37 H GLY 9 H GLY 9 -15.960 6.522 -0.908 38 HA2 GLY 9 1HA GLY 9 -13.841 6.923 -1.926 39 HA3 GLY 9 2HA GLY 9 -14.557 6.555 -3.489 40 H GLU 10 H GLU 10 -13.577 8.999 -1.403 41 HA GLU 10 HA GLU 10 -15.013 11.005 -3.014 42 HB2 GLU 10 1HB GLU 10 -14.563 10.834 -0.079 43 HB3 GLU 10 2HB GLU 10 -14.487 12.428 -0.817 44 HG2 GLU 10 1HG GLU 10 -16.732 12.084 -1.751 45 HG3 GLU 10 2HG GLU 10 -16.807 10.515 -0.951 46 H LYS 11 H LYS 11 -12.279 9.667 -3.158 47 HA LYS 11 HA LYS 11 -10.790 12.145 -3.589 48 HB2 LYS 11 1HB LYS 11 -9.928 9.865 -1.831 49 HB3 LYS 11 2HB LYS 11 -8.738 10.883 -2.632 50 HG2 LYS 11 1HG LYS 11 -10.901 12.145 -1.012 51 HG3 LYS 11 2HG LYS 11 -9.507 11.420 -0.207 52 HD2 LYS 11 1HD LYS 11 -7.998 12.866 -1.372 53 HD3 LYS 11 2HD LYS 11 -9.293 13.467 -2.410 54 HE2 LYS 11 1HE LYS 11 -10.365 14.528 -0.525 55 HE3 LYS 11 2HE LYS 11 -9.185 13.828 0.583 56 HZ1 LYS 11 3HZ LYS 11 -8.243 15.519 -1.626 57 HZ2 LYS 11 1HZ LYS 11 -7.556 15.262 -0.101 58 HZ3 LYS 11 2HZ LYS 11 -8.914 16.257 -0.260 59 HA PRO 12 HA PRO 12 -9.593 10.188 -7.337 60 HB2 PRO 12 1HB PRO 12 -7.241 11.456 -7.818 61 HB3 PRO 12 2HB PRO 12 -8.812 12.243 -8.004 62 HG2 PRO 12 1HG PRO 12 -6.876 12.394 -5.726 63 HG3 PRO 12 2HG PRO 12 -7.809 13.695 -6.490 64 HD2 PRO 12 1HD PRO 12 -8.553 12.549 -4.152 65 HD3 PRO 12 2HD PRO 12 -9.729 13.173 -5.327 66 H TYR 13 H TYR 13 -7.697 9.952 -4.487 67 HA TYR 13 HA TYR 13 -5.824 8.055 -5.677 68 HB2 TYR 13 1HB TYR 13 -5.959 8.991 -2.807 69 HB3 TYR 13 2HB TYR 13 -4.620 8.165 -3.595 70 HD1 TYR 13 HD1 TYR 13 -3.319 9.368 -5.373 71 HD2 TYR 13 HD2 TYR 13 -6.184 11.344 -2.925 72 HE1 TYR 13 HE1 TYR 13 -2.330 11.538 -5.976 73 HE2 TYR 13 HE2 TYR 13 -5.203 13.519 -3.523 74 HH TYR 13 HH TYR 13 -3.849 14.470 -5.416 75 H LYS 14 H LYS 14 -6.615 6.068 -5.931 76 HA LYS 14 HA LYS 14 -7.806 4.749 -3.601 77 HB2 LYS 14 1HB LYS 14 -9.743 5.310 -4.853 78 HB3 LYS 14 2HB LYS 14 -8.980 4.867 -6.374 79 HG2 LYS 14 1HG LYS 14 -8.952 2.506 -5.612 80 HG3 LYS 14 2HG LYS 14 -9.857 3.003 -4.180 81 HD2 LYS 14 1HD LYS 14 -11.722 3.685 -5.503 82 HD3 LYS 14 2HD LYS 14 -10.803 3.496 -6.998 83 HE2 LYS 14 1HE LYS 14 -11.441 1.234 -5.111 84 HE3 LYS 14 2HE LYS 14 -12.419 1.646 -6.519 85 HZ1 LYS 14 3HZ LYS 14 -11.062 0.088 -7.427 86 HZ2 LYS 14 1HZ LYS 14 -9.766 0.424 -6.393 87 HZ3 LYS 14 2HZ LYS 14 -10.093 1.448 -7.698 88 H CYS 15 H CYS 15 -6.973 2.791 -3.229 89 HA CYS 15 HA CYS 15 -4.839 1.805 -4.817 90 HB2 CYS 15 1HB CYS 15 -4.979 1.461 -2.374 91 HB3 CYS 15 2HB CYS 15 -6.374 0.414 -2.612 92 H ASN 16 H ASN 16 -4.891 0.552 -6.557 93 HA ASN 16 HA ASN 16 -7.418 -0.608 -7.404 94 HB2 ASN 16 1HB ASN 16 -4.787 -0.059 -8.723 95 HB3 ASN 16 2HB ASN 16 -5.871 -1.252 -9.434 96 HD21 ASN 16 1HD2 ASN 16 -4.927 1.669 -9.968 97 HD22 ASN 16 2HD2 ASN 16 -6.392 2.451 -10.444 98 H GLU 17 H GLU 17 -5.503 -1.658 -5.211 99 HA GLU 17 HA GLU 17 -5.059 -4.356 -6.269 100 HB2 GLU 17 1HB GLU 17 -4.157 -3.269 -3.602 101 HB3 GLU 17 2HB GLU 17 -3.591 -4.721 -4.415 102 HG2 GLU 17 1HG GLU 17 -3.112 -1.873 -5.250 103 HG3 GLU 17 2HG GLU 17 -1.928 -3.012 -4.612 104 H CYS 18 H CYS 18 -6.436 -2.740 -3.410 105 HA CYS 18 HA CYS 18 -8.089 -5.135 -2.953 106 HB2 CYS 18 1HB CYS 18 -8.323 -4.287 -0.620 107 HB3 CYS 18 2HB CYS 18 -6.663 -4.673 -1.060 108 H GLY 19 H GLY 19 -8.142 -1.586 -2.953 109 HA2 GLY 19 1HA GLY 19 -10.062 -0.615 -4.208 110 HA3 GLY 19 2HA GLY 19 -11.073 -1.737 -3.308 111 H LYS 20 H LYS 20 -8.388 0.234 -2.111 112 HA LYS 20 HA LYS 20 -10.270 1.485 -0.229 113 HB2 LYS 20 1HB LYS 20 -7.307 0.955 -0.072 114 HB3 LYS 20 2HB LYS 20 -8.123 2.048 1.038 115 HG2 LYS 20 1HG LYS 20 -9.391 0.317 1.984 116 HG3 LYS 20 2HG LYS 20 -9.017 -0.791 0.662 117 HD2 LYS 20 1HD LYS 20 -6.634 -0.741 1.376 118 HD3 LYS 20 2HD LYS 20 -7.113 0.237 2.766 119 HE2 LYS 20 1HE LYS 20 -8.434 -1.528 3.655 120 HE3 LYS 20 2HE LYS 20 -8.295 -2.467 2.169 121 HZ1 LYS 20 3HZ LYS 20 -6.813 -3.403 3.736 122 HZ2 LYS 20 1HZ LYS 20 -6.162 -1.897 4.147 123 HZ3 LYS 20 2HZ LYS 20 -5.855 -2.564 2.623 124 H VAL 21 H VAL 21 -9.685 3.742 0.441 125 HA VAL 21 HA VAL 21 -8.581 5.279 -1.817 126 HB VAL 21 HB VAL 21 -10.884 6.252 -0.137 127 HG11 VAL 21 1HG1 VAL 21 -10.047 7.109 -2.896 128 HG12 VAL 21 2HG1 VAL 21 -11.131 7.935 -1.775 129 HG13 VAL 21 3HG1 VAL 21 -9.403 7.849 -1.431 130 HG21 VAL 21 3HG2 VAL 21 -12.271 4.885 -1.208 131 HG22 VAL 21 1HG2 VAL 21 -11.784 5.623 -2.734 132 HG23 VAL 21 2HG2 VAL 21 -10.932 4.202 -2.130 133 H PHE 22 H PHE 22 -7.574 7.260 -1.292 134 HA PHE 22 HA PHE 22 -7.067 7.739 1.558 135 HB2 PHE 22 1HB PHE 22 -4.882 7.768 -0.528 136 HB3 PHE 22 2HB PHE 22 -4.698 7.961 1.212 137 HD1 PHE 22 HD2 PHE 22 -5.507 5.563 -1.467 138 HD2 PHE 22 HD1 PHE 22 -4.558 6.087 2.649 139 HE1 PHE 22 HE2 PHE 22 -5.166 3.137 -1.240 140 HE2 PHE 22 HE1 PHE 22 -4.214 3.662 2.882 141 HZ PHE 22 HZ PHE 22 -4.519 2.183 0.936 142 H THR 23 H THR 23 -6.373 9.885 2.063 143 HA THR 23 HA THR 23 -7.610 11.863 0.388 144 HB THR 23 HB THR 23 -7.804 12.106 2.788 145 HG1 THR 23 HG1 THR 23 -6.591 14.284 2.878 146 HG21 THR 23 3HG2 THR 23 -5.079 12.932 3.357 147 HG22 THR 23 1HG2 THR 23 -5.168 11.244 2.858 148 HG23 THR 23 2HG2 THR 23 -6.120 11.809 4.231 149 H GLN 24 H GLN 24 -4.374 10.738 0.983 150 HA GLN 24 HA GLN 24 -3.364 12.785 -0.880 151 HB2 GLN 24 1HB GLN 24 -1.933 11.567 1.487 152 HB3 GLN 24 2HB GLN 24 -1.188 12.635 0.306 153 HG2 GLN 24 1HG GLN 24 -3.166 14.227 1.000 154 HG3 GLN 24 2HG GLN 24 -3.127 13.251 2.468 155 HE21 GLN 24 1HE2 GLN 24 -2.579 15.408 3.364 156 HE22 GLN 24 2HE2 GLN 24 -0.913 15.860 3.410 157 H ASN 25 H ASN 25 -1.106 12.015 -1.750 158 HA ASN 25 HA ASN 25 -1.599 9.444 -3.009 159 HB2 ASN 25 1HB ASN 25 0.425 10.079 -4.384 160 HB3 ASN 25 2HB ASN 25 -0.943 11.181 -4.511 161 HD21 ASN 25 1HD2 ASN 25 2.336 10.833 -3.714 162 HD22 ASN 25 2HD2 ASN 25 2.626 12.452 -3.186 163 H SER 26 H SER 26 0.850 10.988 -0.975 164 HA SER 26 HA SER 26 2.756 8.981 -0.917 165 HB2 SER 26 1HB SER 26 3.149 9.877 1.505 166 HB3 SER 26 2HB SER 26 3.411 10.957 0.135 167 HG SER 26 HG SER 26 0.919 10.818 1.454 168 H HIS 27 H HIS 27 -0.250 9.266 0.892 169 HA HIS 27 HA HIS 27 0.218 7.090 2.648 170 HB2 HIS 27 1HB HIS 27 -2.456 8.163 1.735 171 HB3 HIS 27 2HB HIS 27 -2.127 7.251 3.205 172 HD1 HIS 27 HD1 HIS 27 -3.440 10.061 3.262 173 HD2 HIS 27 HD2 HIS 27 0.620 9.334 3.756 174 HE1 HIS 27 HE1 HIS 27 -2.551 12.045 4.527 175 H LEU 28 H LEU 28 -1.071 7.349 -0.591 176 HA LEU 28 HA LEU 28 -2.105 4.670 -0.661 177 HB2 LEU 28 1HB LEU 28 -3.197 6.156 -2.091 178 HB3 LEU 28 2HB LEU 28 -1.684 6.826 -2.697 179 HG LEU 28 HG LEU 28 -1.275 4.763 -3.951 180 HD11 LEU 28 1HD1 LEU 28 -3.981 3.714 -3.654 181 HD12 LEU 28 2HD1 LEU 28 -3.010 3.594 -2.187 182 HD13 LEU 28 3HD1 LEU 28 -2.432 2.871 -3.688 183 HD21 LEU 28 3HD2 LEU 28 -3.922 6.125 -4.398 184 HD22 LEU 28 1HD2 LEU 28 -3.209 4.989 -5.543 185 HD23 LEU 28 2HD2 LEU 28 -2.371 6.491 -5.153 186 H ALA 29 H ALA 29 0.764 6.313 -1.946 187 HA ALA 29 HA ALA 29 1.864 4.103 -3.287 188 HB1 ALA 29 3HB ALA 29 3.555 6.234 -2.032 189 HB2 ALA 29 1HB ALA 29 3.791 5.379 -3.556 190 HB3 ALA 29 2HB ALA 29 2.516 6.590 -3.412 191 H ARG 30 H ARG 30 2.146 5.209 0.049 192 HA ARG 30 HA ARG 30 4.134 3.261 0.752 193 HB2 ARG 30 1HB ARG 30 3.916 4.087 2.992 194 HB3 ARG 30 2HB ARG 30 3.867 5.466 1.902 195 HG2 ARG 30 1HG ARG 30 1.324 5.273 2.059 196 HG3 ARG 30 2HG ARG 30 1.621 4.219 3.443 197 HD2 ARG 30 1HD ARG 30 3.163 6.180 4.227 198 HD3 ARG 30 2HD ARG 30 2.179 7.134 3.118 199 HE ARG 30 HE ARG 30 0.549 7.117 4.701 200 HH11 ARG 30 1HH1 ARG 30 2.539 4.297 5.158 201 HH12 ARG 30 2HH1 ARG 30 1.679 3.757 6.561 202 HH21 ARG 30 1HH2 ARG 30 -0.592 6.416 6.547 203 HH22 ARG 30 2HH2 ARG 30 -0.102 4.962 7.350 204 H HIS 31 H HIS 31 0.634 3.541 1.042 205 HA HIS 31 HA HIS 31 0.150 1.374 2.732 206 HB2 HIS 31 1HB HIS 31 -1.738 2.656 2.397 207 HB3 HIS 31 2HB HIS 31 -1.449 2.824 0.668 208 HD1 HIS 31 HD1 HIS 31 -2.764 0.330 3.182 209 HD2 HIS 31 HD2 HIS 31 -2.768 1.013 -0.916 210 HE1 HIS 31 HE1 HIS 31 -4.374 -1.346 2.223 211 H ARG 32 H ARG 32 0.415 1.494 -0.803 212 HA ARG 32 HA ARG 32 -0.308 -0.996 -1.570 213 HB2 ARG 32 1HB ARG 32 2.078 0.616 -2.471 214 HB3 ARG 32 2HB ARG 32 1.571 -0.866 -3.270 215 HG2 ARG 32 1HG ARG 32 -0.463 0.088 -3.976 216 HG3 ARG 32 2HG ARG 32 -0.276 1.469 -2.893 217 HD2 ARG 32 1HD ARG 32 1.848 1.982 -4.236 218 HD3 ARG 32 2HD ARG 32 1.207 0.852 -5.428 219 HE ARG 32 HE ARG 32 -0.773 2.739 -4.779 220 HH11 ARG 32 1HH1 ARG 32 2.275 2.501 -6.444 221 HH12 ARG 32 2HH1 ARG 32 1.925 3.795 -7.541 222 HH21 ARG 32 1HH2 ARG 32 -1.246 4.445 -6.218 223 HH22 ARG 32 2HH2 ARG 32 -0.077 4.901 -7.411 224 H ARG 33 H ARG 33 2.613 -0.130 0.173 225 HA ARG 33 HA ARG 33 4.135 -2.406 -0.089 226 HB2 ARG 33 1HB ARG 33 3.740 -0.531 2.230 227 HB3 ARG 33 2HB ARG 33 4.851 -1.890 2.334 228 HG2 ARG 33 1HG ARG 33 5.847 -0.915 0.147 229 HG3 ARG 33 2HG ARG 33 5.017 0.562 0.642 230 HD2 ARG 33 1HD ARG 33 6.294 0.777 2.576 231 HD3 ARG 33 2HD ARG 33 6.779 -0.918 2.557 232 HE ARG 33 HE ARG 33 7.730 0.659 0.328 233 HH11 ARG 33 1HH1 ARG 33 8.375 -0.542 3.531 234 HH12 ARG 33 2HH1 ARG 33 10.094 -0.369 3.391 235 HH21 ARG 33 1HH2 ARG 33 9.991 0.892 0.131 236 HH22 ARG 33 2HH2 ARG 33 11.011 0.447 1.457 237 H VAL 34 H VAL 34 1.454 -1.830 2.160 238 HA VAL 34 HA VAL 34 1.521 -4.029 3.754 239 HB VAL 34 HB VAL 34 -0.934 -3.957 3.864 240 HG11 VAL 34 1HG1 VAL 34 0.842 -1.966 4.571 241 HG12 VAL 34 2HG1 VAL 34 -0.463 -1.092 3.765 242 HG13 VAL 34 3HG1 VAL 34 -0.817 -2.134 5.144 243 HG21 VAL 34 3HG2 VAL 34 -0.627 -2.815 1.234 244 HG22 VAL 34 1HG2 VAL 34 -2.071 -3.452 2.021 245 HG23 VAL 34 2HG2 VAL 34 -1.603 -1.770 2.266 246 H HIS 35 H HIS 35 0.861 -3.948 0.351 247 HA HIS 35 HA HIS 35 -0.197 -6.645 0.283 248 HB2 HIS 35 1HB HIS 35 0.490 -4.678 -1.906 249 HB3 HIS 35 2HB HIS 35 -0.168 -6.283 -2.204 250 HD1 HIS 35 HD1 HIS 35 -2.659 -6.666 -1.649 251 HD2 HIS 35 HD2 HIS 35 -1.336 -2.796 -0.919 252 HE1 HIS 35 HE1 HIS 35 -4.740 -5.299 -1.298 253 H THR 36 H THR 36 2.412 -5.201 -1.655 254 HA THR 36 HA THR 36 3.751 -7.453 -2.365 255 HB THR 36 HB THR 36 4.426 -5.268 -3.187 256 HG1 THR 36 HG1 THR 36 6.571 -6.516 -1.780 257 HG21 THR 36 3HG2 THR 36 4.226 -4.323 -0.718 258 HG22 THR 36 1HG2 THR 36 5.274 -3.563 -1.915 259 HG23 THR 36 2HG2 THR 36 5.958 -4.655 -0.711 260 H GLY 37 H GLY 37 4.101 -5.699 0.696 261 HA2 GLY 37 1HA GLY 37 5.473 -8.079 1.776 262 HA3 GLY 37 2HA GLY 37 6.054 -6.459 2.129 263 H GLY 38 H GLY 38 4.036 -8.966 3.130 264 HA2 GLY 38 1HA GLY 38 3.301 -7.606 5.515 265 HA3 GLY 38 2HA GLY 38 1.930 -7.702 4.418 266 H LYS 39 H LYS 39 2.352 -8.942 7.055 267 HA LYS 39 HA LYS 39 2.018 -11.756 6.246 268 HB2 LYS 39 1HB LYS 39 4.120 -11.160 7.600 269 HB3 LYS 39 2HB LYS 39 3.026 -10.905 8.953 270 HG2 LYS 39 1HG LYS 39 2.266 -13.210 8.794 271 HG3 LYS 39 2HG LYS 39 3.325 -13.473 7.406 272 HD2 LYS 39 1HD LYS 39 4.529 -12.440 9.924 273 HD3 LYS 39 2HD LYS 39 4.059 -14.140 9.858 274 HE2 LYS 39 1HE LYS 39 6.271 -14.167 9.144 275 HE3 LYS 39 2HE LYS 39 5.359 -14.189 7.636 276 HZ1 LYS 39 3HZ LYS 39 5.899 -12.011 7.176 277 HZ2 LYS 39 1HZ LYS 39 7.327 -12.569 7.894 278 HZ3 LYS 39 2HZ LYS 39 6.243 -11.627 8.788 279 HA PRO 40 HA PRO 40 -1.929 -10.325 8.156 280 HB2 PRO 40 1HB PRO 40 -3.511 -11.728 6.453 281 HB3 PRO 40 2HB PRO 40 -2.887 -10.117 6.078 282 HG2 PRO 40 1HG PRO 40 -1.873 -12.792 5.198 283 HG3 PRO 40 2HG PRO 40 -2.066 -11.303 4.254 284 HD2 PRO 40 1HD PRO 40 0.327 -12.107 5.234 285 HD3 PRO 40 2HD PRO 40 -0.104 -10.394 5.052 286 H SER 41 H SER 41 -3.870 -11.811 8.757 287 HA SER 41 HA SER 41 -3.098 -13.657 10.622 288 HB2 SER 41 1HB SER 41 -5.435 -12.641 10.158 289 HB3 SER 41 2HB SER 41 -5.668 -14.033 9.101 290 HG SER 41 HG SER 41 -5.146 -15.351 10.951 291 H GLY 42 H GLY 42 -2.821 -15.869 10.717 292 HA2 GLY 42 1HA GLY 42 -3.340 -17.671 8.619 293 HA3 GLY 42 2HA GLY 42 -1.671 -17.135 8.496 294 HA PRO 43 HA PRO 43 -1.715 -20.826 11.264 295 HB2 PRO 43 1HB PRO 43 0.533 -21.920 10.206 296 HB3 PRO 43 2HB PRO 43 -1.076 -22.184 9.524 297 HG2 PRO 43 1HG PRO 43 1.062 -20.280 8.650 298 HG3 PRO 43 2HG PRO 43 0.015 -21.317 7.663 299 HD2 PRO 43 1HD PRO 43 -0.461 -18.674 8.009 300 HD3 PRO 43 2HD PRO 43 -1.765 -19.858 7.795 301 H SER 44 H SER 44 0.165 -21.665 12.619 302 HA SER 44 HA SER 44 1.467 -19.385 13.832 303 HB2 SER 44 1HB SER 44 1.182 -22.287 14.567 304 HB3 SER 44 2HB SER 44 2.329 -21.252 15.417 305 HG SER 44 HG SER 44 -0.271 -20.302 15.097 306 H SER 45 H SER 45 3.561 -18.843 13.688 307 HA SER 45 HA SER 45 5.461 -20.753 12.539 308 HB2 SER 45 1HB SER 45 4.726 -18.074 11.411 309 HB3 SER 45 2HB SER 45 6.373 -18.674 11.221 310 HG SER 45 HG SER 45 5.013 -19.274 9.472 311 H GLY 46 H GLY 46 7.750 -19.616 12.547 312 HA2 GLY 46 1HA GLY 46 8.052 -17.971 14.961 313 HA3 GLY 46 2HA GLY 46 8.904 -19.506 14.880 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -26.801 -3.521 -0.492 2 HA2 GLY 1 1HA GLY 1 -28.232 -4.794 1.760 3 HA3 GLY 1 2HA GLY 1 -26.535 -4.341 1.838 4 H SER 2 H SER 2 -25.965 -2.161 2.058 5 HA SER 2 HA SER 2 -27.465 -0.610 3.742 6 HB2 SER 2 1HB SER 2 -25.989 1.220 3.230 7 HB3 SER 2 2HB SER 2 -25.044 -0.267 3.147 8 HG SER 2 HG SER 2 -25.550 1.556 1.211 9 H SER 3 H SER 3 -29.004 0.951 3.574 10 HA SER 3 HA SER 3 -30.662 0.935 1.262 11 HB2 SER 3 1HB SER 3 -31.955 2.689 2.485 12 HB3 SER 3 2HB SER 3 -31.657 1.243 3.450 13 HG SER 3 HG SER 3 -30.094 2.326 4.580 14 H GLY 4 H GLY 4 -29.113 1.602 -0.359 15 HA2 GLY 4 1HA GLY 4 -28.906 3.415 -1.904 16 HA3 GLY 4 2HA GLY 4 -28.988 4.533 -0.550 17 H SER 5 H SER 5 -27.022 4.437 -2.678 18 HA SER 5 HA SER 5 -24.622 4.071 -1.017 19 HB2 SER 5 1HB SER 5 -24.868 2.222 -2.698 20 HB3 SER 5 2HB SER 5 -24.761 3.436 -3.973 21 HG SER 5 HG SER 5 -22.786 2.328 -2.451 22 H SER 6 H SER 6 -24.556 6.282 -0.574 23 HA SER 6 HA SER 6 -24.427 8.162 -2.788 24 HB2 SER 6 1HB SER 6 -25.626 8.620 -0.579 25 HB3 SER 6 2HB SER 6 -24.024 8.797 0.136 26 HG SER 6 HG SER 6 -23.692 10.373 -1.658 27 H GLY 7 H GLY 7 -22.337 7.067 -0.124 28 HA2 GLY 7 1HA GLY 7 -20.079 8.586 -0.993 29 HA3 GLY 7 2HA GLY 7 -20.068 7.298 0.204 30 H THR 8 H THR 8 -19.369 8.177 -3.024 31 HA THR 8 HA THR 8 -18.434 5.435 -3.551 32 HB THR 8 HB THR 8 -19.590 7.267 -5.658 33 HG1 THR 8 HG1 THR 8 -21.396 6.601 -4.715 34 HG21 THR 8 3HG2 THR 8 -19.663 4.989 -6.877 35 HG22 THR 8 1HG2 THR 8 -18.486 4.477 -5.668 36 HG23 THR 8 2HG2 THR 8 -18.115 5.823 -6.745 37 H GLY 9 H GLY 9 -16.312 5.921 -3.007 38 HA2 GLY 9 1HA GLY 9 -14.193 6.780 -3.261 39 HA3 GLY 9 2HA GLY 9 -14.586 6.766 -4.974 40 H GLU 10 H GLU 10 -14.914 8.713 -2.027 41 HA GLU 10 HA GLU 10 -15.471 11.113 -3.524 42 HB2 GLU 10 1HB GLU 10 -15.391 12.225 -1.319 43 HB3 GLU 10 2HB GLU 10 -16.474 10.841 -1.335 44 HG2 GLU 10 1HG GLU 10 -14.299 9.604 -0.466 45 HG3 GLU 10 2HG GLU 10 -13.908 11.229 0.091 46 H LYS 11 H LYS 11 -12.810 9.467 -3.548 47 HA LYS 11 HA LYS 11 -11.105 11.841 -3.644 48 HB2 LYS 11 1HB LYS 11 -10.740 9.486 -1.865 49 HB3 LYS 11 2HB LYS 11 -9.302 10.144 -2.634 50 HG2 LYS 11 1HG LYS 11 -9.316 11.331 -0.686 51 HG3 LYS 11 2HG LYS 11 -10.239 12.419 -1.726 52 HD2 LYS 11 1HD LYS 11 -12.215 11.978 -0.664 53 HD3 LYS 11 2HD LYS 11 -11.732 10.341 -0.213 54 HE2 LYS 11 1HE LYS 11 -10.373 11.144 1.563 55 HE3 LYS 11 2HE LYS 11 -10.512 12.810 1.004 56 HZ1 LYS 11 3HZ LYS 11 -12.850 12.780 1.561 57 HZ2 LYS 11 1HZ LYS 11 -11.932 12.362 2.920 58 HZ3 LYS 11 2HZ LYS 11 -12.752 11.164 2.052 59 HA PRO 12 HA PRO 12 -9.785 10.029 -7.432 60 HB2 PRO 12 1HB PRO 12 -7.421 11.329 -7.734 61 HB3 PRO 12 2HB PRO 12 -8.987 12.113 -7.978 62 HG2 PRO 12 1HG PRO 12 -7.181 12.190 -5.591 63 HG3 PRO 12 2HG PRO 12 -8.081 13.513 -6.357 64 HD2 PRO 12 1HD PRO 12 -8.943 12.274 -4.108 65 HD3 PRO 12 2HD PRO 12 -10.057 12.935 -5.322 66 H TYR 13 H TYR 13 -7.768 9.931 -4.579 67 HA TYR 13 HA TYR 13 -5.953 7.979 -5.724 68 HB2 TYR 13 1HB TYR 13 -6.081 8.821 -2.832 69 HB3 TYR 13 2HB TYR 13 -4.708 8.159 -3.712 70 HD1 TYR 13 HD2 TYR 13 -6.792 11.159 -3.220 71 HD2 TYR 13 HD1 TYR 13 -3.279 9.566 -5.015 72 HE1 TYR 13 HE2 TYR 13 -6.012 13.441 -3.706 73 HE2 TYR 13 HE1 TYR 13 -2.489 11.843 -5.505 74 HH TYR 13 HH TYR 13 -3.312 14.408 -4.137 75 H LYS 14 H LYS 14 -6.711 5.980 -5.969 76 HA LYS 14 HA LYS 14 -7.962 4.683 -3.653 77 HB2 LYS 14 1HB LYS 14 -9.881 5.039 -4.915 78 HB3 LYS 14 2HB LYS 14 -9.032 4.858 -6.444 79 HG2 LYS 14 1HG LYS 14 -8.845 2.458 -6.070 80 HG3 LYS 14 2HG LYS 14 -9.672 2.630 -4.520 81 HD2 LYS 14 1HD LYS 14 -11.675 3.404 -5.635 82 HD3 LYS 14 2HD LYS 14 -10.852 3.375 -7.197 83 HE2 LYS 14 1HE LYS 14 -10.484 0.904 -6.808 84 HE3 LYS 14 2HE LYS 14 -11.592 1.041 -5.445 85 HZ1 LYS 14 3HZ LYS 14 -12.381 1.962 -8.135 86 HZ2 LYS 14 1HZ LYS 14 -13.368 1.520 -6.834 87 HZ3 LYS 14 2HZ LYS 14 -12.529 0.334 -7.699 88 H CYS 15 H CYS 15 -7.057 2.789 -3.165 89 HA CYS 15 HA CYS 15 -4.845 1.801 -4.640 90 HB2 CYS 15 1HB CYS 15 -5.151 1.576 -2.161 91 HB3 CYS 15 2HB CYS 15 -6.395 0.370 -2.474 92 H ASN 16 H ASN 16 -4.800 0.473 -6.324 93 HA ASN 16 HA ASN 16 -7.265 -0.819 -7.180 94 HB2 ASN 16 1HB ASN 16 -5.534 0.522 -8.652 95 HB3 ASN 16 2HB ASN 16 -4.703 -1.030 -8.709 96 HD21 ASN 16 1HD2 ASN 16 -7.645 0.674 -9.511 97 HD22 ASN 16 2HD2 ASN 16 -8.201 -0.451 -10.699 98 H GLU 17 H GLU 17 -5.315 -1.698 -4.938 99 HA GLU 17 HA GLU 17 -4.757 -4.413 -5.903 100 HB2 GLU 17 1HB GLU 17 -3.864 -3.251 -3.272 101 HB3 GLU 17 2HB GLU 17 -3.205 -4.638 -4.128 102 HG2 GLU 17 1HG GLU 17 -3.000 -1.758 -4.977 103 HG3 GLU 17 2HG GLU 17 -1.712 -2.742 -4.286 104 H CYS 18 H CYS 18 -6.194 -2.718 -3.125 105 HA CYS 18 HA CYS 18 -7.724 -5.164 -2.529 106 HB2 CYS 18 1HB CYS 18 -7.950 -4.249 -0.227 107 HB3 CYS 18 2HB CYS 18 -6.279 -4.560 -0.684 108 H GLY 19 H GLY 19 -7.909 -1.632 -2.733 109 HA2 GLY 19 1HA GLY 19 -9.894 -0.800 -3.978 110 HA3 GLY 19 2HA GLY 19 -10.841 -1.904 -2.992 111 H LYS 20 H LYS 20 -8.184 0.046 -1.783 112 HA LYS 20 HA LYS 20 -10.060 1.367 0.033 113 HB2 LYS 20 1HB LYS 20 -7.084 0.940 0.069 114 HB3 LYS 20 2HB LYS 20 -7.840 2.134 1.115 115 HG2 LYS 20 1HG LYS 20 -9.077 0.479 2.266 116 HG3 LYS 20 2HG LYS 20 -8.674 -0.753 1.068 117 HD2 LYS 20 1HD LYS 20 -6.399 -0.800 1.766 118 HD3 LYS 20 2HD LYS 20 -6.611 0.637 2.768 119 HE2 LYS 20 1HE LYS 20 -8.283 -1.773 3.306 120 HE3 LYS 20 2HE LYS 20 -6.601 -1.762 3.835 121 HZ1 LYS 20 3HZ LYS 20 -8.693 0.209 4.581 122 HZ2 LYS 20 1HZ LYS 20 -7.064 0.316 5.028 123 HZ3 LYS 20 2HZ LYS 20 -8.013 -0.966 5.590 124 H VAL 21 H VAL 21 -9.316 3.687 0.649 125 HA VAL 21 HA VAL 21 -8.471 5.178 -1.733 126 HB VAL 21 HB VAL 21 -10.755 6.190 -0.070 127 HG11 VAL 21 1HG1 VAL 21 -9.540 7.734 -1.562 128 HG12 VAL 21 2HG1 VAL 21 -9.954 6.702 -2.933 129 HG13 VAL 21 3HG1 VAL 21 -11.227 7.526 -2.030 130 HG21 VAL 21 3HG2 VAL 21 -10.812 4.093 -2.172 131 HG22 VAL 21 1HG2 VAL 21 -11.840 4.305 -0.755 132 HG23 VAL 21 2HG2 VAL 21 -12.091 5.307 -2.184 133 H PHE 22 H PHE 22 -7.656 7.295 -1.298 134 HA PHE 22 HA PHE 22 -7.175 7.979 1.499 135 HB2 PHE 22 1HB PHE 22 -4.910 7.786 -0.495 136 HB3 PHE 22 2HB PHE 22 -4.786 8.210 1.209 137 HD1 PHE 22 HD2 PHE 22 -5.449 5.475 -1.161 138 HD2 PHE 22 HD1 PHE 22 -4.731 6.541 2.896 139 HE1 PHE 22 HE2 PHE 22 -5.105 3.104 -0.603 140 HE2 PHE 22 HE1 PHE 22 -4.384 4.171 3.461 141 HZ PHE 22 HZ PHE 22 -4.572 2.449 1.711 142 H THR 23 H THR 23 -6.097 10.159 1.677 143 HA THR 23 HA THR 23 -7.431 11.981 -0.145 144 HB THR 23 HB THR 23 -7.505 12.375 2.303 145 HG1 THR 23 HG1 THR 23 -6.048 14.518 1.196 146 HG21 THR 23 3HG2 THR 23 -4.617 13.195 2.095 147 HG22 THR 23 1HG2 THR 23 -5.104 11.593 2.646 148 HG23 THR 23 2HG2 THR 23 -5.605 13.025 3.545 149 H GLN 24 H GLN 24 -4.135 11.169 0.844 150 HA GLN 24 HA GLN 24 -3.127 12.851 -1.352 151 HB2 GLN 24 1HB GLN 24 -1.976 12.113 1.314 152 HB3 GLN 24 2HB GLN 24 -0.902 12.532 -0.014 153 HG2 GLN 24 1HG GLN 24 -3.096 14.282 1.073 154 HG3 GLN 24 2HG GLN 24 -1.379 14.440 1.439 155 HE21 GLN 24 1HE2 GLN 24 -2.811 16.532 0.390 156 HE22 GLN 24 2HE2 GLN 24 -2.282 16.843 -1.224 157 H ASN 25 H ASN 25 -1.060 12.027 -2.339 158 HA ASN 25 HA ASN 25 -1.490 9.361 -3.277 159 HB2 ASN 25 1HB ASN 25 -0.624 10.746 -4.932 160 HB3 ASN 25 2HB ASN 25 0.523 11.510 -3.835 161 HD21 ASN 25 1HD2 ASN 25 -0.215 8.468 -5.461 162 HD22 ASN 25 2HD2 ASN 25 1.424 7.945 -5.611 163 H SER 26 H SER 26 1.157 10.910 -1.462 164 HA SER 26 HA SER 26 2.854 8.839 -1.055 165 HB2 SER 26 1HB SER 26 1.992 11.062 0.770 166 HB3 SER 26 2HB SER 26 3.146 9.853 1.334 167 HG SER 26 HG SER 26 4.139 10.468 -0.901 168 H HIS 27 H HIS 27 0.047 9.538 1.029 169 HA HIS 27 HA HIS 27 0.252 7.384 2.747 170 HB2 HIS 27 1HB HIS 27 -2.324 8.567 1.692 171 HB3 HIS 27 2HB HIS 27 -2.121 7.674 3.196 172 HD1 HIS 27 HD1 HIS 27 -3.173 9.924 4.246 173 HD2 HIS 27 HD2 HIS 27 0.669 10.229 2.695 174 HE1 HIS 27 HE1 HIS 27 -2.223 12.040 5.217 175 H LEU 28 H LEU 28 -0.953 7.495 -0.533 176 HA LEU 28 HA LEU 28 -2.078 4.844 -0.443 177 HB2 LEU 28 1HB LEU 28 -3.141 6.324 -1.926 178 HB3 LEU 28 2HB LEU 28 -1.611 6.851 -2.624 179 HG LEU 28 HG LEU 28 -1.374 4.595 -3.652 180 HD11 LEU 28 1HD1 LEU 28 -2.844 3.418 -2.041 181 HD12 LEU 28 2HD1 LEU 28 -3.252 3.100 -3.727 182 HD13 LEU 28 3HD1 LEU 28 -4.233 4.216 -2.778 183 HD21 LEU 28 3HD2 LEU 28 -3.294 6.666 -4.332 184 HD22 LEU 28 1HD2 LEU 28 -3.719 5.097 -5.016 185 HD23 LEU 28 2HD2 LEU 28 -2.142 5.809 -5.357 186 H ALA 29 H ALA 29 0.907 6.344 -1.529 187 HA ALA 29 HA ALA 29 1.934 4.082 -2.903 188 HB1 ALA 29 3HB ALA 29 3.641 6.201 -1.639 189 HB2 ALA 29 1HB ALA 29 3.930 5.280 -3.115 190 HB3 ALA 29 2HB ALA 29 2.680 6.525 -3.081 191 H ARG 30 H ARG 30 2.157 5.223 0.424 192 HA ARG 30 HA ARG 30 4.081 3.254 1.216 193 HB2 ARG 30 1HB ARG 30 3.855 4.125 3.406 194 HB3 ARG 30 2HB ARG 30 3.698 5.504 2.326 195 HG2 ARG 30 1HG ARG 30 1.187 5.180 2.523 196 HG3 ARG 30 2HG ARG 30 1.546 4.089 3.862 197 HD2 ARG 30 1HD ARG 30 2.461 6.956 3.686 198 HD3 ARG 30 2HD ARG 30 1.043 6.410 4.579 199 HE ARG 30 HE ARG 30 3.465 5.059 5.328 200 HH11 ARG 30 1HH1 ARG 30 1.475 7.866 5.856 201 HH12 ARG 30 2HH1 ARG 30 2.077 8.153 7.455 202 HH21 ARG 30 1HH2 ARG 30 4.265 5.427 7.432 203 HH22 ARG 30 2HH2 ARG 30 3.665 6.766 8.350 204 H HIS 31 H HIS 31 0.619 3.421 1.024 205 HA HIS 31 HA HIS 31 0.069 1.250 2.789 206 HB2 HIS 31 1HB HIS 31 -1.735 2.720 2.441 207 HB3 HIS 31 2HB HIS 31 -1.531 2.697 0.692 208 HD1 HIS 31 HD1 HIS 31 -2.718 0.457 3.505 209 HD2 HIS 31 HD2 HIS 31 -3.064 0.852 -0.616 210 HE1 HIS 31 HE1 HIS 31 -4.449 -1.230 2.811 211 H ARG 32 H ARG 32 0.198 1.538 -0.755 212 HA ARG 32 HA ARG 32 -0.480 -0.973 -1.545 213 HB2 ARG 32 1HB ARG 32 1.659 0.866 -2.597 214 HB3 ARG 32 2HB ARG 32 1.282 -0.661 -3.381 215 HG2 ARG 32 1HG ARG 32 -1.043 0.087 -3.674 216 HG3 ARG 32 2HG ARG 32 -0.614 1.636 -2.944 217 HD2 ARG 32 1HD ARG 32 0.416 0.463 -5.519 218 HD3 ARG 32 2HD ARG 32 -0.574 1.908 -5.315 219 HE ARG 32 HE ARG 32 1.730 2.370 -3.881 220 HH11 ARG 32 1HH1 ARG 32 0.908 1.671 -7.191 221 HH12 ARG 32 2HH1 ARG 32 2.255 2.542 -7.846 222 HH21 ARG 32 1HH2 ARG 32 3.507 3.520 -4.732 223 HH22 ARG 32 2HH2 ARG 32 3.733 3.592 -6.446 224 H ARG 33 H ARG 33 2.286 -0.069 0.292 225 HA ARG 33 HA ARG 33 4.067 -2.129 -0.281 226 HB2 ARG 33 1HB ARG 33 3.553 -0.691 2.326 227 HB3 ARG 33 2HB ARG 33 4.925 -1.753 2.040 228 HG2 ARG 33 1HG ARG 33 5.641 -0.268 0.198 229 HG3 ARG 33 2HG ARG 33 4.317 0.824 0.610 230 HD2 ARG 33 1HD ARG 33 5.990 1.800 1.811 231 HD3 ARG 33 2HD ARG 33 5.404 0.651 3.014 232 HE ARG 33 HE ARG 33 7.449 -0.341 2.936 233 HH11 ARG 33 1HH1 ARG 33 6.921 1.312 -0.083 234 HH12 ARG 33 2HH1 ARG 33 8.489 0.931 -0.715 235 HH21 ARG 33 1HH2 ARG 33 9.515 -0.848 2.115 236 HH22 ARG 33 2HH2 ARG 33 9.963 -0.298 0.536 237 H VAL 34 H VAL 34 1.390 -2.031 2.040 238 HA VAL 34 HA VAL 34 1.698 -4.357 3.413 239 HB VAL 34 HB VAL 34 -0.733 -4.519 3.595 240 HG11 VAL 34 1HG1 VAL 34 -1.175 -2.145 4.326 241 HG12 VAL 34 2HG1 VAL 34 0.261 -2.903 5.017 242 HG13 VAL 34 3HG1 VAL 34 0.423 -1.742 3.699 243 HG21 VAL 34 3HG2 VAL 34 -1.952 -4.044 1.790 244 HG22 VAL 34 1HG2 VAL 34 -1.711 -2.341 2.181 245 HG23 VAL 34 2HG2 VAL 34 -0.628 -3.147 1.046 246 H HIS 35 H HIS 35 0.985 -4.013 0.042 247 HA HIS 35 HA HIS 35 0.184 -6.785 -0.272 248 HB2 HIS 35 1HB HIS 35 0.672 -4.636 -2.346 249 HB3 HIS 35 2HB HIS 35 -0.022 -6.224 -2.661 250 HD1 HIS 35 HD1 HIS 35 -2.484 -6.571 -2.092 251 HD2 HIS 35 HD2 HIS 35 -1.047 -2.828 -1.005 252 HE1 HIS 35 HE1 HIS 35 -4.518 -5.217 -1.498 253 H THR 36 H THR 36 2.859 -4.705 -1.362 254 HA THR 36 HA THR 36 4.371 -7.070 -2.171 255 HB THR 36 HB THR 36 4.326 -5.165 -3.722 256 HG1 THR 36 HG1 THR 36 6.881 -5.618 -2.536 257 HG21 THR 36 3HG2 THR 36 5.683 -3.698 -1.460 258 HG22 THR 36 1HG2 THR 36 4.124 -3.318 -2.191 259 HG23 THR 36 2HG2 THR 36 5.608 -3.112 -3.122 260 H GLY 37 H GLY 37 3.945 -6.829 0.593 261 HA2 GLY 37 1HA GLY 37 6.646 -6.105 1.550 262 HA3 GLY 37 2HA GLY 37 5.197 -5.966 2.534 263 H GLY 38 H GLY 38 6.591 -8.546 0.497 264 HA2 GLY 38 1HA GLY 38 7.021 -10.753 0.955 265 HA3 GLY 38 2HA GLY 38 7.364 -10.226 2.596 266 H LYS 39 H LYS 39 6.385 -12.597 2.609 267 HA LYS 39 HA LYS 39 3.576 -12.258 3.395 268 HB2 LYS 39 1HB LYS 39 4.709 -14.499 1.716 269 HB3 LYS 39 2HB LYS 39 3.129 -14.562 2.487 270 HG2 LYS 39 1HG LYS 39 2.450 -12.576 1.201 271 HG3 LYS 39 2HG LYS 39 4.018 -12.590 0.391 272 HD2 LYS 39 1HD LYS 39 3.469 -14.961 -0.322 273 HD3 LYS 39 2HD LYS 39 1.825 -14.646 0.237 274 HE2 LYS 39 1HE LYS 39 1.956 -12.561 -1.280 275 HE3 LYS 39 2HE LYS 39 3.328 -13.378 -2.026 276 HZ1 LYS 39 3HZ LYS 39 2.005 -14.880 -3.013 277 HZ2 LYS 39 1HZ LYS 39 0.800 -13.713 -2.798 278 HZ3 LYS 39 2HZ LYS 39 0.943 -14.993 -1.701 279 HA PRO 40 HA PRO 40 4.861 -14.228 7.115 280 HB2 PRO 40 1HB PRO 40 2.452 -15.126 7.988 281 HB3 PRO 40 2HB PRO 40 2.918 -13.421 8.038 282 HG2 PRO 40 1HG PRO 40 1.217 -14.862 6.040 283 HG3 PRO 40 2HG PRO 40 0.966 -13.272 6.783 284 HD2 PRO 40 1HD PRO 40 1.970 -13.571 4.286 285 HD3 PRO 40 2HD PRO 40 2.440 -12.230 5.350 286 H SER 41 H SER 41 5.685 -16.170 7.608 287 HA SER 41 HA SER 41 4.377 -18.606 6.704 288 HB2 SER 41 1HB SER 41 7.179 -17.834 5.866 289 HB3 SER 41 2HB SER 41 6.539 -19.473 5.747 290 HG SER 41 HG SER 41 4.878 -18.606 4.392 291 H GLY 42 H GLY 42 4.777 -20.356 7.999 292 HA2 GLY 42 1HA GLY 42 6.984 -20.654 9.719 293 HA3 GLY 42 2HA GLY 42 5.672 -19.908 10.619 294 HA PRO 43 HA PRO 43 5.137 -24.463 11.025 295 HB2 PRO 43 1HB PRO 43 4.389 -24.360 13.633 296 HB3 PRO 43 2HB PRO 43 6.080 -24.411 13.119 297 HG2 PRO 43 1HG PRO 43 4.423 -22.061 13.951 298 HG3 PRO 43 2HG PRO 43 6.097 -22.457 14.379 299 HD2 PRO 43 1HD PRO 43 5.472 -20.642 12.469 300 HD3 PRO 43 2HD PRO 43 6.930 -21.652 12.386 301 H SER 44 H SER 44 3.135 -25.472 12.419 302 HA SER 44 HA SER 44 0.829 -24.786 10.950 303 HB2 SER 44 1HB SER 44 0.993 -26.392 13.512 304 HB3 SER 44 2HB SER 44 -0.333 -26.411 12.350 305 HG SER 44 HG SER 44 2.237 -26.979 11.417 306 H SER 45 H SER 45 1.497 -24.414 14.435 307 HA SER 45 HA SER 45 0.255 -21.842 14.525 308 HB2 SER 45 1HB SER 45 -1.690 -23.522 14.478 309 HB3 SER 45 2HB SER 45 -1.175 -23.977 16.102 310 HG SER 45 HG SER 45 -2.033 -22.210 16.842 311 H GLY 46 H GLY 46 0.224 -20.953 16.756 312 HA2 GLY 46 1HA GLY 46 2.404 -22.162 18.338 313 HA3 GLY 46 2HA GLY 46 2.074 -20.438 18.256 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -14.713 -6.626 16.057 2 HA2 GLY 1 1HA GLY 1 -13.493 -6.958 13.911 3 HA3 GLY 1 2HA GLY 1 -15.045 -6.728 13.121 4 H SER 2 H SER 2 -14.706 -4.912 11.966 5 HA SER 2 HA SER 2 -14.076 -2.480 13.494 6 HB2 SER 2 1HB SER 2 -12.179 -3.459 11.963 7 HB3 SER 2 2HB SER 2 -13.131 -2.747 10.661 8 HG SER 2 HG SER 2 -13.041 -0.836 12.308 9 H SER 3 H SER 3 -15.019 -0.555 12.713 10 HA SER 3 HA SER 3 -17.480 -1.017 11.219 11 HB2 SER 3 1HB SER 3 -16.492 1.356 12.815 12 HB3 SER 3 2HB SER 3 -18.026 1.329 11.945 13 HG SER 3 HG SER 3 -18.806 -0.148 13.330 14 H GLY 4 H GLY 4 -18.160 0.566 9.575 15 HA2 GLY 4 1HA GLY 4 -15.996 1.024 7.705 16 HA3 GLY 4 2HA GLY 4 -17.710 1.258 7.398 17 H SER 5 H SER 5 -15.444 3.000 6.760 18 HA SER 5 HA SER 5 -15.790 5.279 8.539 19 HB2 SER 5 1HB SER 5 -13.528 4.831 7.805 20 HB3 SER 5 2HB SER 5 -14.027 4.858 6.114 21 HG SER 5 HG SER 5 -14.587 7.117 7.642 22 H SER 6 H SER 6 -16.724 7.214 7.973 23 HA SER 6 HA SER 6 -18.275 7.195 5.468 24 HB2 SER 6 1HB SER 6 -19.680 7.091 7.494 25 HB3 SER 6 2HB SER 6 -18.943 8.583 8.076 26 HG SER 6 HG SER 6 -19.728 9.282 5.781 27 H GLY 7 H GLY 7 -16.789 8.254 4.178 28 HA2 GLY 7 1HA GLY 7 -16.185 11.036 4.976 29 HA3 GLY 7 2HA GLY 7 -15.066 10.040 4.057 30 H THR 8 H THR 8 -17.193 12.503 3.792 31 HA THR 8 HA THR 8 -18.515 11.839 1.347 32 HB THR 8 HB THR 8 -19.070 14.263 1.245 33 HG1 THR 8 HG1 THR 8 -17.370 15.271 2.213 34 HG21 THR 8 3HG2 THR 8 -20.471 14.300 3.247 35 HG22 THR 8 1HG2 THR 8 -19.527 12.984 3.944 36 HG23 THR 8 2HG2 THR 8 -20.495 12.704 2.497 37 H GLY 9 H GLY 9 -18.215 13.123 -0.667 38 HA2 GLY 9 1HA GLY 9 -16.919 13.863 -2.414 39 HA3 GLY 9 2HA GLY 9 -15.788 14.472 -1.215 40 H GLU 10 H GLU 10 -16.551 11.893 -3.390 41 HA GLU 10 HA GLU 10 -14.767 9.926 -2.546 42 HB2 GLU 10 1HB GLU 10 -16.548 9.887 -4.434 43 HB3 GLU 10 2HB GLU 10 -15.249 10.483 -5.457 44 HG2 GLU 10 1HG GLU 10 -14.077 8.524 -5.358 45 HG3 GLU 10 2HG GLU 10 -14.750 8.073 -3.792 46 H LYS 11 H LYS 11 -12.619 9.667 -2.657 47 HA LYS 11 HA LYS 11 -11.026 11.896 -3.633 48 HB2 LYS 11 1HB LYS 11 -10.400 9.453 -1.986 49 HB3 LYS 11 2HB LYS 11 -9.132 10.498 -2.613 50 HG2 LYS 11 1HG LYS 11 -9.494 11.254 -0.440 51 HG3 LYS 11 2HG LYS 11 -10.367 12.405 -1.454 52 HD2 LYS 11 1HD LYS 11 -11.750 11.826 0.426 53 HD3 LYS 11 2HD LYS 11 -12.448 11.114 -1.030 54 HE2 LYS 11 1HE LYS 11 -11.751 8.958 -0.447 55 HE3 LYS 11 2HE LYS 11 -10.579 9.557 0.726 56 HZ1 LYS 11 3HZ LYS 11 -12.115 9.614 2.320 57 HZ2 LYS 11 1HZ LYS 11 -13.069 8.655 1.304 58 HZ3 LYS 11 2HZ LYS 11 -13.278 10.334 1.324 59 HA PRO 12 HA PRO 12 -9.886 9.984 -7.430 60 HB2 PRO 12 1HB PRO 12 -7.540 11.275 -7.878 61 HB3 PRO 12 2HB PRO 12 -9.116 12.053 -8.068 62 HG2 PRO 12 1HG PRO 12 -7.199 12.192 -5.772 63 HG3 PRO 12 2HG PRO 12 -8.135 13.494 -6.529 64 HD2 PRO 12 1HD PRO 12 -8.889 12.316 -4.210 65 HD3 PRO 12 2HD PRO 12 -10.060 12.945 -5.387 66 H TYR 13 H TYR 13 -7.853 9.864 -4.620 67 HA TYR 13 HA TYR 13 -6.034 7.930 -5.810 68 HB2 TYR 13 1HB TYR 13 -6.109 8.862 -2.939 69 HB3 TYR 13 2HB TYR 13 -4.770 8.092 -3.782 70 HD1 TYR 13 HD1 TYR 13 -3.384 9.354 -5.334 71 HD2 TYR 13 HD2 TYR 13 -6.606 11.214 -3.270 72 HE1 TYR 13 HE1 TYR 13 -2.489 11.563 -5.941 73 HE2 TYR 13 HE2 TYR 13 -5.721 13.428 -3.873 74 HH TYR 13 HH TYR 13 -2.690 13.984 -4.879 75 H LYS 14 H LYS 14 -6.930 5.974 -6.075 76 HA LYS 14 HA LYS 14 -8.022 4.656 -3.690 77 HB2 LYS 14 1HB LYS 14 -10.007 5.140 -4.841 78 HB3 LYS 14 2HB LYS 14 -9.278 4.839 -6.413 79 HG2 LYS 14 1HG LYS 14 -9.510 2.566 -6.241 80 HG3 LYS 14 2HG LYS 14 -9.497 2.589 -4.476 81 HD2 LYS 14 1HD LYS 14 -11.732 3.626 -4.497 82 HD3 LYS 14 2HD LYS 14 -11.743 3.532 -6.260 83 HE2 LYS 14 1HE LYS 14 -11.320 1.091 -4.569 84 HE3 LYS 14 2HE LYS 14 -12.941 1.686 -4.925 85 HZ1 LYS 14 3HZ LYS 14 -12.733 1.196 -7.141 86 HZ2 LYS 14 1HZ LYS 14 -11.835 -0.066 -6.461 87 HZ3 LYS 14 2HZ LYS 14 -11.043 1.270 -7.130 88 H CYS 15 H CYS 15 -7.085 2.760 -3.296 89 HA CYS 15 HA CYS 15 -5.083 1.729 -5.051 90 HB2 CYS 15 1HB CYS 15 -4.903 1.588 -2.590 91 HB3 CYS 15 2HB CYS 15 -6.280 0.490 -2.563 92 H ASN 16 H ASN 16 -5.295 0.307 -6.645 93 HA ASN 16 HA ASN 16 -7.876 -0.924 -7.124 94 HB2 ASN 16 1HB ASN 16 -6.453 -1.832 -9.175 95 HB3 ASN 16 2HB ASN 16 -7.068 -0.182 -9.143 96 HD21 ASN 16 1HD2 ASN 16 -4.269 -1.926 -7.824 97 HD22 ASN 16 2HD2 ASN 16 -3.093 -0.773 -8.346 98 H GLU 17 H GLU 17 -4.971 -1.757 -5.606 99 HA GLU 17 HA GLU 17 -4.822 -4.513 -6.208 100 HB2 GLU 17 1HB GLU 17 -3.940 -3.285 -3.604 101 HB3 GLU 17 2HB GLU 17 -3.260 -4.676 -4.437 102 HG2 GLU 17 1HG GLU 17 -3.087 -1.800 -5.302 103 HG3 GLU 17 2HG GLU 17 -1.783 -2.792 -4.652 104 H CYS 18 H CYS 18 -6.259 -2.780 -3.452 105 HA CYS 18 HA CYS 18 -7.824 -5.207 -2.861 106 HB2 CYS 18 1HB CYS 18 -7.933 -4.401 -0.522 107 HB3 CYS 18 2HB CYS 18 -6.282 -4.711 -1.049 108 H GLY 19 H GLY 19 -7.869 -1.667 -2.941 109 HA2 GLY 19 1HA GLY 19 -9.863 -0.721 -4.092 110 HA3 GLY 19 2HA GLY 19 -10.818 -1.810 -3.097 111 H LYS 20 H LYS 20 -8.036 0.036 -1.988 112 HA LYS 20 HA LYS 20 -9.738 1.309 0.011 113 HB2 LYS 20 1HB LYS 20 -6.809 0.806 -0.266 114 HB3 LYS 20 2HB LYS 20 -7.333 2.152 0.737 115 HG2 LYS 20 1HG LYS 20 -8.901 0.346 1.805 116 HG3 LYS 20 2HG LYS 20 -7.709 -0.773 1.137 117 HD2 LYS 20 1HD LYS 20 -5.967 0.154 2.420 118 HD3 LYS 20 2HD LYS 20 -6.913 1.591 2.815 119 HE2 LYS 20 1HE LYS 20 -6.970 0.316 4.771 120 HE3 LYS 20 2HE LYS 20 -8.515 -0.023 3.993 121 HZ1 LYS 20 3HZ LYS 20 -7.986 -2.160 3.722 122 HZ2 LYS 20 1HZ LYS 20 -6.773 -1.888 4.870 123 HZ3 LYS 20 2HZ LYS 20 -6.406 -1.822 3.220 124 H VAL 21 H VAL 21 -8.932 3.636 0.602 125 HA VAL 21 HA VAL 21 -8.310 5.212 -1.777 126 HB VAL 21 HB VAL 21 -10.674 5.966 -0.071 127 HG11 VAL 21 1HG1 VAL 21 -11.179 7.500 -1.840 128 HG12 VAL 21 2HG1 VAL 21 -9.488 7.720 -1.387 129 HG13 VAL 21 3HG1 VAL 21 -9.901 6.830 -2.853 130 HG21 VAL 21 3HG2 VAL 21 -10.970 3.751 -1.277 131 HG22 VAL 21 1HG2 VAL 21 -12.162 5.003 -1.628 132 HG23 VAL 21 2HG2 VAL 21 -10.867 4.670 -2.779 133 H PHE 22 H PHE 22 -7.530 7.311 -1.327 134 HA PHE 22 HA PHE 22 -7.111 8.011 1.478 135 HB2 PHE 22 1HB PHE 22 -4.820 7.971 -0.490 136 HB3 PHE 22 2HB PHE 22 -4.742 8.306 1.237 137 HD1 PHE 22 HD2 PHE 22 -5.426 5.654 -1.250 138 HD2 PHE 22 HD1 PHE 22 -4.469 6.576 2.794 139 HE1 PHE 22 HE2 PHE 22 -4.992 3.272 -0.813 140 HE2 PHE 22 HE1 PHE 22 -4.033 4.195 3.237 141 HZ PHE 22 HZ PHE 22 -4.296 2.540 1.433 142 H THR 23 H THR 23 -6.215 10.234 1.713 143 HA THR 23 HA THR 23 -7.547 11.996 -0.173 144 HB THR 23 HB THR 23 -7.898 12.456 2.178 145 HG1 THR 23 HG1 THR 23 -6.280 14.358 0.814 146 HG21 THR 23 3HG2 THR 23 -5.674 13.478 3.292 147 HG22 THR 23 1HG2 THR 23 -4.950 12.234 2.275 148 HG23 THR 23 2HG2 THR 23 -6.161 11.794 3.479 149 H GLN 24 H GLN 24 -4.369 10.901 0.534 150 HA GLN 24 HA GLN 24 -3.289 12.859 -1.378 151 HB2 GLN 24 1HB GLN 24 -1.917 11.853 1.121 152 HB3 GLN 24 2HB GLN 24 -1.184 12.894 -0.092 153 HG2 GLN 24 1HG GLN 24 -3.673 13.687 1.379 154 HG3 GLN 24 2HG GLN 24 -2.063 13.983 2.033 155 HE21 GLN 24 1HE2 GLN 24 -3.700 16.083 1.585 156 HE22 GLN 24 2HE2 GLN 24 -3.143 17.006 0.236 157 H ASN 25 H ASN 25 -1.214 12.123 -2.372 158 HA ASN 25 HA ASN 25 -1.535 9.438 -3.337 159 HB2 ASN 25 1HB ASN 25 0.364 9.959 -4.796 160 HB3 ASN 25 2HB ASN 25 -0.828 11.255 -4.836 161 HD21 ASN 25 1HD2 ASN 25 -0.388 13.177 -3.624 162 HD22 ASN 25 2HD2 ASN 25 1.246 13.648 -3.315 163 H SER 26 H SER 26 0.951 11.162 -1.471 164 HA SER 26 HA SER 26 2.855 9.240 -1.164 165 HB2 SER 26 1HB SER 26 2.588 11.648 -0.103 166 HB3 SER 26 2HB SER 26 2.025 10.730 1.294 167 HG SER 26 HG SER 26 4.521 11.152 0.515 168 H HIS 27 H HIS 27 0.222 9.706 1.202 169 HA HIS 27 HA HIS 27 0.581 7.514 2.769 170 HB2 HIS 27 1HB HIS 27 -2.103 8.530 1.809 171 HB3 HIS 27 2HB HIS 27 -1.816 7.572 3.259 172 HD1 HIS 27 HD1 HIS 27 -3.143 10.363 3.390 173 HD2 HIS 27 HD2 HIS 27 0.915 9.655 3.933 174 HE1 HIS 27 HE1 HIS 27 -2.295 12.310 4.737 175 H LEU 28 H LEU 28 -1.342 7.583 -0.228 176 HA LEU 28 HA LEU 28 -2.130 4.926 -0.273 177 HB2 LEU 28 1HB LEU 28 -3.125 6.357 -1.833 178 HB3 LEU 28 2HB LEU 28 -1.568 6.913 -2.446 179 HG LEU 28 HG LEU 28 -1.226 4.694 -3.483 180 HD11 LEU 28 1HD1 LEU 28 -3.986 4.195 -2.395 181 HD12 LEU 28 2HD1 LEU 28 -2.518 3.259 -2.113 182 HD13 LEU 28 3HD1 LEU 28 -3.276 3.251 -3.705 183 HD21 LEU 28 3HD2 LEU 28 -3.842 5.929 -4.322 184 HD22 LEU 28 1HD2 LEU 28 -2.690 5.051 -5.328 185 HD23 LEU 28 2HD2 LEU 28 -2.266 6.635 -4.678 186 H ALA 29 H ALA 29 0.783 6.386 -1.701 187 HA ALA 29 HA ALA 29 1.901 4.181 -2.900 188 HB1 ALA 29 3HB ALA 29 3.999 5.620 -1.617 189 HB2 ALA 29 1HB ALA 29 3.505 5.655 -3.310 190 HB3 ALA 29 2HB ALA 29 2.768 6.765 -2.154 191 H ARG 30 H ARG 30 2.218 5.179 0.496 192 HA ARG 30 HA ARG 30 3.950 3.119 1.296 193 HB2 ARG 30 1HB ARG 30 2.017 4.892 2.755 194 HB3 ARG 30 2HB ARG 30 2.853 3.600 3.606 195 HG2 ARG 30 1HG ARG 30 4.281 5.330 3.997 196 HG3 ARG 30 2HG ARG 30 4.974 4.694 2.504 197 HD2 ARG 30 1HD ARG 30 3.553 6.362 1.265 198 HD3 ARG 30 2HD ARG 30 3.159 7.075 2.829 199 HE ARG 30 HE ARG 30 5.177 8.121 2.770 200 HH11 ARG 30 1HH1 ARG 30 5.347 5.301 0.736 201 HH12 ARG 30 2HH1 ARG 30 6.959 5.629 0.192 202 HH21 ARG 30 1HH2 ARG 30 7.300 8.564 2.061 203 HH22 ARG 30 2HH2 ARG 30 8.069 7.485 0.947 204 H HIS 31 H HIS 31 0.414 3.376 1.691 205 HA HIS 31 HA HIS 31 -0.178 1.013 2.881 206 HB2 HIS 31 1HB HIS 31 -1.990 2.441 2.417 207 HB3 HIS 31 2HB HIS 31 -1.618 2.499 0.696 208 HD1 HIS 31 HD1 HIS 31 -2.617 -0.207 3.191 209 HD2 HIS 31 HD2 HIS 31 -3.326 0.978 -0.727 210 HE1 HIS 31 HE1 HIS 31 -4.306 -1.838 2.291 211 H ARG 32 H ARG 32 0.127 1.442 -0.647 212 HA ARG 32 HA ARG 32 -0.335 -1.024 -1.605 213 HB2 ARG 32 1HB ARG 32 1.857 0.905 -2.333 214 HB3 ARG 32 2HB ARG 32 1.626 -0.599 -3.215 215 HG2 ARG 32 1HG ARG 32 -0.599 0.067 -3.858 216 HG3 ARG 32 2HG ARG 32 -0.478 1.527 -2.873 217 HD2 ARG 32 1HD ARG 32 -0.044 2.233 -5.070 218 HD3 ARG 32 2HD ARG 32 1.538 2.132 -4.299 219 HE ARG 32 HE ARG 32 1.352 -0.273 -5.439 220 HH11 ARG 32 1HH1 ARG 32 0.692 2.909 -6.687 221 HH12 ARG 32 2HH1 ARG 32 1.109 2.498 -8.318 222 HH21 ARG 32 1HH2 ARG 32 1.904 -0.826 -7.582 223 HH22 ARG 32 2HH2 ARG 32 1.797 0.373 -8.826 224 H ARG 33 H ARG 33 2.478 -0.064 0.259 225 HA ARG 33 HA ARG 33 4.235 -2.113 -0.132 226 HB2 ARG 33 1HB ARG 33 3.480 -0.731 2.443 227 HB3 ARG 33 2HB ARG 33 4.840 -1.837 2.310 228 HG2 ARG 33 1HG ARG 33 5.947 -0.397 0.757 229 HG3 ARG 33 2HG ARG 33 4.531 0.649 0.645 230 HD2 ARG 33 1HD ARG 33 4.881 1.571 2.728 231 HD3 ARG 33 2HD ARG 33 5.791 0.176 3.307 232 HE ARG 33 HE ARG 33 6.829 2.471 1.932 233 HH11 ARG 33 1HH1 ARG 33 7.329 -0.903 2.630 234 HH12 ARG 33 2HH1 ARG 33 9.042 -0.834 2.384 235 HH21 ARG 33 1HH2 ARG 33 9.084 2.574 1.604 236 HH22 ARG 33 2HH2 ARG 33 10.040 1.145 1.801 237 H VAL 34 H VAL 34 1.415 -2.148 2.026 238 HA VAL 34 HA VAL 34 1.705 -4.591 3.235 239 HB VAL 34 HB VAL 34 -0.727 -4.704 3.427 240 HG11 VAL 34 1HG1 VAL 34 0.817 -2.925 4.606 241 HG12 VAL 34 2HG1 VAL 34 -0.164 -1.791 3.675 242 HG13 VAL 34 3HG1 VAL 34 -0.934 -2.896 4.815 243 HG21 VAL 34 3HG2 VAL 34 -1.849 -4.098 1.576 244 HG22 VAL 34 1HG2 VAL 34 -1.773 -2.477 2.267 245 HG23 VAL 34 2HG2 VAL 34 -0.590 -2.977 1.058 246 H HIS 35 H HIS 35 0.675 -3.910 -0.050 247 HA HIS 35 HA HIS 35 -0.097 -6.625 -0.606 248 HB2 HIS 35 1HB HIS 35 0.271 -4.178 -2.329 249 HB3 HIS 35 2HB HIS 35 -0.125 -5.754 -3.009 250 HD1 HIS 35 HD1 HIS 35 -2.437 -6.823 -2.032 251 HD2 HIS 35 HD2 HIS 35 -1.885 -2.735 -1.532 252 HE1 HIS 35 HE1 HIS 35 -4.722 -5.890 -1.550 253 H THR 36 H THR 36 2.568 -4.528 -1.709 254 HA THR 36 HA THR 36 3.966 -6.692 -2.955 255 HB THR 36 HB THR 36 5.841 -5.038 -3.157 256 HG1 THR 36 HG1 THR 36 3.960 -3.247 -1.979 257 HG21 THR 36 3HG2 THR 36 4.132 -5.249 -4.903 258 HG22 THR 36 1HG2 THR 36 4.684 -3.582 -4.746 259 HG23 THR 36 2HG2 THR 36 3.130 -4.064 -4.066 260 H GLY 37 H GLY 37 4.247 -8.248 -1.318 261 HA2 GLY 37 1HA GLY 37 6.623 -7.836 0.270 262 HA3 GLY 37 2HA GLY 37 5.158 -8.022 1.223 263 H GLY 38 H GLY 38 6.610 -9.609 -1.631 264 HA2 GLY 38 1HA GLY 38 6.979 -12.089 -0.308 265 HA3 GLY 38 2HA GLY 38 5.480 -12.117 -1.225 266 H LYS 39 H LYS 39 5.692 -11.415 -3.552 267 HA LYS 39 HA LYS 39 6.468 -12.240 -5.571 268 HB2 LYS 39 1HB LYS 39 7.541 -9.919 -4.965 269 HB3 LYS 39 2HB LYS 39 9.029 -10.853 -4.877 270 HG2 LYS 39 1HG LYS 39 9.060 -10.120 -7.052 271 HG3 LYS 39 2HG LYS 39 8.315 -11.711 -7.225 272 HD2 LYS 39 1HD LYS 39 6.088 -10.376 -6.921 273 HD3 LYS 39 2HD LYS 39 7.074 -8.999 -7.414 274 HE2 LYS 39 1HE LYS 39 7.738 -10.262 -9.440 275 HE3 LYS 39 2HE LYS 39 6.641 -11.555 -8.956 276 HZ1 LYS 39 3HZ LYS 39 5.708 -9.971 -10.607 277 HZ2 LYS 39 1HZ LYS 39 5.773 -8.758 -9.429 278 HZ3 LYS 39 2HZ LYS 39 4.786 -10.112 -9.196 279 HA PRO 40 HA PRO 40 9.255 -15.489 -3.570 280 HB2 PRO 40 1HB PRO 40 7.513 -17.562 -3.758 281 HB3 PRO 40 2HB PRO 40 7.585 -16.493 -2.353 282 HG2 PRO 40 1HG PRO 40 5.691 -16.450 -4.670 283 HG3 PRO 40 2HG PRO 40 5.351 -16.236 -2.943 284 HD2 PRO 40 1HD PRO 40 5.538 -14.151 -4.660 285 HD3 PRO 40 2HD PRO 40 6.020 -14.031 -2.956 286 H SER 41 H SER 41 10.582 -15.478 -5.372 287 HA SER 41 HA SER 41 9.638 -16.512 -7.903 288 HB2 SER 41 1HB SER 41 12.150 -15.247 -6.911 289 HB3 SER 41 2HB SER 41 12.255 -16.267 -8.346 290 HG SER 41 HG SER 41 10.367 -14.174 -8.071 291 H GLY 42 H GLY 42 12.341 -17.406 -5.742 292 HA2 GLY 42 1HA GLY 42 11.781 -20.229 -6.370 293 HA3 GLY 42 2HA GLY 42 13.413 -19.601 -6.542 294 HA PRO 43 HA PRO 43 14.243 -20.638 -2.366 295 HB2 PRO 43 1HB PRO 43 16.076 -18.744 -1.716 296 HB3 PRO 43 2HB PRO 43 16.434 -20.097 -2.795 297 HG2 PRO 43 1HG PRO 43 15.740 -17.265 -3.474 298 HG3 PRO 43 2HG PRO 43 16.980 -18.314 -4.185 299 HD2 PRO 43 1HD PRO 43 14.588 -17.875 -5.374 300 HD3 PRO 43 2HD PRO 43 15.461 -19.413 -5.526 301 H SER 44 H SER 44 13.509 -17.243 -3.039 302 HA SER 44 HA SER 44 12.339 -15.670 -1.885 303 HB2 SER 44 1HB SER 44 11.261 -18.170 -0.583 304 HB3 SER 44 2HB SER 44 10.687 -16.561 -0.148 305 HG SER 44 HG SER 44 9.461 -17.663 -1.826 306 H SER 45 H SER 45 14.945 -15.979 -1.114 307 HA SER 45 HA SER 45 14.910 -15.882 1.821 308 HB2 SER 45 1HB SER 45 17.064 -16.409 -0.202 309 HB3 SER 45 2HB SER 45 17.492 -15.851 1.416 310 HG SER 45 HG SER 45 15.684 -17.957 1.245 311 H GLY 46 H GLY 46 16.728 -14.292 2.651 312 HA2 GLY 46 1HA GLY 46 17.686 -12.058 1.655 313 HA3 GLY 46 2HA GLY 46 15.974 -11.669 1.590 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -29.414 -6.352 3.566 2 HA2 GLY 1 1HA GLY 1 -30.357 -6.394 6.223 3 HA3 GLY 1 2HA GLY 1 -30.376 -8.033 5.586 4 H SER 2 H SER 2 -28.277 -8.722 4.514 5 HA SER 2 HA SER 2 -26.155 -8.288 6.405 6 HB2 SER 2 1HB SER 2 -26.638 -10.517 5.389 7 HB3 SER 2 2HB SER 2 -26.098 -9.885 3.834 8 HG SER 2 HG SER 2 -24.429 -10.995 4.944 9 H SER 3 H SER 3 -26.625 -7.660 2.940 10 HA SER 3 HA SER 3 -24.178 -6.628 2.264 11 HB2 SER 3 1HB SER 3 -25.315 -5.362 0.513 12 HB3 SER 3 2HB SER 3 -26.051 -6.956 0.675 13 HG SER 3 HG SER 3 -27.049 -4.604 1.909 14 H GLY 4 H GLY 4 -23.166 -4.640 2.361 15 HA2 GLY 4 1HA GLY 4 -24.472 -2.398 3.655 16 HA3 GLY 4 2HA GLY 4 -23.181 -3.138 4.590 17 H SER 5 H SER 5 -22.786 -0.596 4.063 18 HA SER 5 HA SER 5 -20.463 -0.612 2.382 19 HB2 SER 5 1HB SER 5 -22.938 0.882 1.518 20 HB3 SER 5 2HB SER 5 -21.324 1.353 0.984 21 HG SER 5 HG SER 5 -22.880 -0.786 0.229 22 H SER 6 H SER 6 -19.651 1.801 2.183 23 HA SER 6 HA SER 6 -20.362 3.424 4.482 24 HB2 SER 6 1HB SER 6 -18.749 1.948 5.504 25 HB3 SER 6 2HB SER 6 -17.621 2.181 4.170 26 HG SER 6 HG SER 6 -17.764 3.574 6.382 27 H GLY 7 H GLY 7 -19.567 5.566 4.369 28 HA2 GLY 7 1HA GLY 7 -17.864 6.411 2.220 29 HA3 GLY 7 2HA GLY 7 -19.555 6.781 1.916 30 H THR 8 H THR 8 -16.747 8.000 3.114 31 HA THR 8 HA THR 8 -18.189 9.957 4.782 32 HB THR 8 HB THR 8 -15.311 9.128 5.183 33 HG1 THR 8 HG1 THR 8 -16.333 8.166 7.161 34 HG21 THR 8 3HG2 THR 8 -17.100 11.144 6.377 35 HG22 THR 8 1HG2 THR 8 -15.341 11.118 6.257 36 HG23 THR 8 2HG2 THR 8 -16.153 10.195 7.522 37 H GLY 9 H GLY 9 -15.416 9.408 2.639 38 HA2 GLY 9 1HA GLY 9 -15.799 11.992 1.422 39 HA3 GLY 9 2HA GLY 9 -14.335 11.890 2.389 40 H GLU 10 H GLU 10 -15.755 11.257 -0.620 41 HA GLU 10 HA GLU 10 -14.089 9.155 -1.528 42 HB2 GLU 10 1HB GLU 10 -14.832 9.798 -3.775 43 HB3 GLU 10 2HB GLU 10 -16.182 9.716 -2.652 44 HG2 GLU 10 1HG GLU 10 -15.945 12.217 -2.387 45 HG3 GLU 10 2HG GLU 10 -14.847 12.162 -3.765 46 H LYS 11 H LYS 11 -12.394 9.311 -3.144 47 HA LYS 11 HA LYS 11 -11.020 11.846 -3.426 48 HB2 LYS 11 1HB LYS 11 -9.721 9.506 -2.017 49 HB3 LYS 11 2HB LYS 11 -8.877 10.954 -2.549 50 HG2 LYS 11 1HG LYS 11 -11.154 10.968 -0.582 51 HG3 LYS 11 2HG LYS 11 -9.449 10.910 -0.126 52 HD2 LYS 11 1HD LYS 11 -9.036 13.048 -1.084 53 HD3 LYS 11 2HD LYS 11 -10.616 13.071 -1.871 54 HE2 LYS 11 1HE LYS 11 -11.517 12.868 0.568 55 HE3 LYS 11 2HE LYS 11 -9.920 13.469 1.009 56 HZ1 LYS 11 3HZ LYS 11 -10.649 15.500 0.579 57 HZ2 LYS 11 1HZ LYS 11 -12.139 14.909 0.035 58 HZ3 LYS 11 2HZ LYS 11 -10.852 15.082 -1.048 59 HA PRO 12 HA PRO 12 -9.865 10.129 -7.299 60 HB2 PRO 12 1HB PRO 12 -7.538 11.443 -7.777 61 HB3 PRO 12 2HB PRO 12 -9.120 12.226 -7.868 62 HG2 PRO 12 1HG PRO 12 -7.115 12.261 -5.646 63 HG3 PRO 12 2HG PRO 12 -8.079 13.596 -6.303 64 HD2 PRO 12 1HD PRO 12 -8.742 12.309 -4.015 65 HD3 PRO 12 2HD PRO 12 -9.958 12.991 -5.114 66 H TYR 13 H TYR 13 -7.874 9.749 -4.528 67 HA TYR 13 HA TYR 13 -6.109 7.856 -5.905 68 HB2 TYR 13 1HB TYR 13 -5.948 9.042 -3.127 69 HB3 TYR 13 2HB TYR 13 -4.787 7.905 -3.803 70 HD1 TYR 13 HD1 TYR 13 -3.499 8.611 -5.886 71 HD2 TYR 13 HD2 TYR 13 -5.729 11.346 -3.508 72 HE1 TYR 13 HE1 TYR 13 -2.225 10.480 -6.852 73 HE2 TYR 13 HE2 TYR 13 -4.462 13.222 -4.468 74 HH TYR 13 HH TYR 13 -1.621 12.891 -6.075 75 H LYS 14 H LYS 14 -6.865 5.850 -5.995 76 HA LYS 14 HA LYS 14 -7.894 4.631 -3.536 77 HB2 LYS 14 1HB LYS 14 -9.914 5.120 -4.669 78 HB3 LYS 14 2HB LYS 14 -9.248 4.643 -6.226 79 HG2 LYS 14 1HG LYS 14 -9.158 2.307 -5.432 80 HG3 LYS 14 2HG LYS 14 -9.927 2.819 -3.928 81 HD2 LYS 14 1HD LYS 14 -11.945 3.298 -4.979 82 HD3 LYS 14 2HD LYS 14 -11.195 3.436 -6.571 83 HE2 LYS 14 1HE LYS 14 -11.223 0.832 -5.083 84 HE3 LYS 14 2HE LYS 14 -12.605 1.344 -6.050 85 HZ1 LYS 14 3HZ LYS 14 -11.554 0.810 -7.918 86 HZ2 LYS 14 1HZ LYS 14 -10.401 0.020 -6.963 87 HZ3 LYS 14 2HZ LYS 14 -10.136 1.614 -7.463 88 H CYS 15 H CYS 15 -7.280 2.543 -3.217 89 HA CYS 15 HA CYS 15 -5.192 1.522 -4.924 90 HB2 CYS 15 1HB CYS 15 -5.073 1.373 -2.446 91 HB3 CYS 15 2HB CYS 15 -6.447 0.271 -2.471 92 H ASN 16 H ASN 16 -5.425 0.112 -6.525 93 HA ASN 16 HA ASN 16 -8.037 -1.090 -6.984 94 HB2 ASN 16 1HB ASN 16 -6.459 0.089 -8.736 95 HB3 ASN 16 2HB ASN 16 -5.707 -1.501 -8.817 96 HD21 ASN 16 1HD2 ASN 16 -8.884 0.059 -8.940 97 HD22 ASN 16 2HD2 ASN 16 -9.548 -0.999 -10.134 98 H GLU 17 H GLU 17 -5.853 -1.972 -4.970 99 HA GLU 17 HA GLU 17 -5.529 -4.746 -5.863 100 HB2 GLU 17 1HB GLU 17 -4.310 -3.480 -3.413 101 HB3 GLU 17 2HB GLU 17 -3.829 -4.973 -4.206 102 HG2 GLU 17 1HG GLU 17 -3.508 -2.176 -5.265 103 HG3 GLU 17 2HG GLU 17 -2.233 -3.257 -4.705 104 H CYS 18 H CYS 18 -6.473 -2.947 -2.933 105 HA CYS 18 HA CYS 18 -8.047 -5.286 -2.094 106 HB2 CYS 18 1HB CYS 18 -8.015 -4.226 0.164 107 HB3 CYS 18 2HB CYS 18 -6.414 -4.638 -0.441 108 H GLY 19 H GLY 19 -8.185 -1.735 -2.283 109 HA2 GLY 19 1HA GLY 19 -10.283 -0.933 -3.424 110 HA3 GLY 19 2HA GLY 19 -11.131 -1.953 -2.271 111 H LYS 20 H LYS 20 -8.304 -0.063 -1.441 112 HA LYS 20 HA LYS 20 -9.927 1.428 0.479 113 HB2 LYS 20 1HB LYS 20 -6.988 0.877 0.205 114 HB3 LYS 20 2HB LYS 20 -7.556 2.190 1.228 115 HG2 LYS 20 1HG LYS 20 -9.080 0.349 2.266 116 HG3 LYS 20 2HG LYS 20 -7.896 -0.753 1.559 117 HD2 LYS 20 1HD LYS 20 -6.138 0.147 2.844 118 HD3 LYS 20 2HD LYS 20 -7.086 1.568 3.290 119 HE2 LYS 20 1HE LYS 20 -8.675 -0.162 4.395 120 HE3 LYS 20 2HE LYS 20 -7.285 -1.241 4.305 121 HZ1 LYS 20 3HZ LYS 20 -6.501 -0.297 6.130 122 HZ2 LYS 20 1HZ LYS 20 -7.808 0.777 6.183 123 HZ3 LYS 20 2HZ LYS 20 -6.404 1.195 5.337 124 H VAL 21 H VAL 21 -9.371 3.750 0.824 125 HA VAL 21 HA VAL 21 -8.579 5.105 -1.662 126 HB VAL 21 HB VAL 21 -10.866 6.112 0.012 127 HG11 VAL 21 1HG1 VAL 21 -9.495 7.513 -1.696 128 HG12 VAL 21 2HG1 VAL 21 -10.428 6.622 -2.900 129 HG13 VAL 21 3HG1 VAL 21 -11.255 7.615 -1.699 130 HG21 VAL 21 3HG2 VAL 21 -12.442 5.005 -1.304 131 HG22 VAL 21 1HG2 VAL 21 -11.258 4.598 -2.546 132 HG23 VAL 21 2HG2 VAL 21 -11.225 3.768 -0.990 133 H PHE 22 H PHE 22 -7.647 7.153 -1.407 134 HA PHE 22 HA PHE 22 -7.185 8.099 1.321 135 HB2 PHE 22 1HB PHE 22 -4.908 7.764 -0.634 136 HB3 PHE 22 2HB PHE 22 -4.808 8.233 1.060 137 HD1 PHE 22 HD2 PHE 22 -5.407 5.446 -1.257 138 HD2 PHE 22 HD1 PHE 22 -4.856 6.605 2.802 139 HE1 PHE 22 HE2 PHE 22 -5.100 3.088 -0.629 140 HE2 PHE 22 HE1 PHE 22 -4.547 4.248 3.436 141 HZ PHE 22 HZ PHE 22 -4.670 2.485 1.720 142 H THR 23 H THR 23 -6.266 10.291 1.379 143 HA THR 23 HA THR 23 -7.363 11.892 -0.806 144 HB THR 23 HB THR 23 -8.102 12.546 1.398 145 HG1 THR 23 HG1 THR 23 -7.970 14.444 0.456 146 HG21 THR 23 3HG2 THR 23 -6.800 12.518 3.211 147 HG22 THR 23 1HG2 THR 23 -5.616 13.580 2.451 148 HG23 THR 23 2HG2 THR 23 -5.526 11.837 2.201 149 H GLN 24 H GLN 24 -4.340 10.996 0.633 150 HA GLN 24 HA GLN 24 -2.945 12.859 -1.174 151 HB2 GLN 24 1HB GLN 24 -2.034 11.737 1.480 152 HB3 GLN 24 2HB GLN 24 -1.024 12.695 0.406 153 HG2 GLN 24 1HG GLN 24 -3.520 13.583 1.829 154 HG3 GLN 24 2HG GLN 24 -1.865 14.106 2.140 155 HE21 GLN 24 1HE2 GLN 24 -0.771 15.248 0.377 156 HE22 GLN 24 2HE2 GLN 24 -1.706 16.280 -0.644 157 H ASN 25 H ASN 25 -1.302 12.086 -2.455 158 HA ASN 25 HA ASN 25 -1.426 9.401 -3.269 159 HB2 ASN 25 1HB ASN 25 0.162 9.955 -4.868 160 HB3 ASN 25 2HB ASN 25 -0.536 11.531 -4.506 161 HD21 ASN 25 1HD2 ASN 25 0.611 12.864 -2.933 162 HD22 ASN 25 2HD2 ASN 25 2.334 12.767 -2.863 163 H SER 26 H SER 26 1.026 11.124 -1.353 164 HA SER 26 HA SER 26 2.916 9.222 -0.968 165 HB2 SER 26 1HB SER 26 1.770 11.023 1.180 166 HB3 SER 26 2HB SER 26 3.329 10.203 1.262 167 HG SER 26 HG SER 26 3.540 11.410 -0.937 168 H HIS 27 H HIS 27 0.122 9.597 1.222 169 HA HIS 27 HA HIS 27 0.464 7.385 2.791 170 HB2 HIS 27 1HB HIS 27 -2.171 8.435 1.737 171 HB3 HIS 27 2HB HIS 27 -1.974 7.395 3.144 172 HD1 HIS 27 HD1 HIS 27 -3.282 10.205 3.328 173 HD2 HIS 27 HD2 HIS 27 0.714 9.394 4.121 174 HE1 HIS 27 HE1 HIS 27 -2.507 12.060 4.838 175 H LEU 28 H LEU 28 -1.291 7.502 -0.303 176 HA LEU 28 HA LEU 28 -2.029 4.814 -0.413 177 HB2 LEU 28 1HB LEU 28 -3.050 6.269 -1.941 178 HB3 LEU 28 2HB LEU 28 -1.502 6.876 -2.527 179 HG LEU 28 HG LEU 28 -1.095 4.729 -3.644 180 HD11 LEU 28 1HD1 LEU 28 -3.913 3.988 -2.896 181 HD12 LEU 28 2HD1 LEU 28 -2.494 3.401 -2.029 182 HD13 LEU 28 3HD1 LEU 28 -2.713 3.001 -3.732 183 HD21 LEU 28 3HD2 LEU 28 -3.612 6.240 -4.266 184 HD22 LEU 28 1HD2 LEU 28 -3.048 4.918 -5.287 185 HD23 LEU 28 2HD2 LEU 28 -2.035 6.343 -5.051 186 H ALA 29 H ALA 29 0.860 6.422 -1.718 187 HA ALA 29 HA ALA 29 2.069 4.291 -2.979 188 HB1 ALA 29 3HB ALA 29 3.784 6.131 -1.386 189 HB2 ALA 29 1HB ALA 29 3.977 5.553 -3.041 190 HB3 ALA 29 2HB ALA 29 2.787 6.803 -2.676 191 H ARG 30 H ARG 30 2.253 5.186 0.452 192 HA ARG 30 HA ARG 30 4.037 3.108 1.182 193 HB2 ARG 30 1HB ARG 30 2.083 4.706 2.846 194 HB3 ARG 30 2HB ARG 30 3.304 3.627 3.508 195 HG2 ARG 30 1HG ARG 30 5.070 4.998 2.613 196 HG3 ARG 30 2HG ARG 30 3.895 6.033 1.799 197 HD2 ARG 30 1HD ARG 30 4.307 7.274 3.679 198 HD3 ARG 30 2HD ARG 30 2.937 6.309 4.228 199 HE ARG 30 HE ARG 30 5.205 4.877 4.883 200 HH11 ARG 30 1HH1 ARG 30 3.840 7.986 5.648 201 HH12 ARG 30 2HH1 ARG 30 4.549 8.055 7.227 202 HH21 ARG 30 1HH2 ARG 30 6.145 4.955 6.960 203 HH22 ARG 30 2HH2 ARG 30 5.861 6.331 7.972 204 H HIS 31 H HIS 31 0.518 3.456 1.643 205 HA HIS 31 HA HIS 31 -0.103 1.103 2.852 206 HB2 HIS 31 1HB HIS 31 -1.870 2.620 2.428 207 HB3 HIS 31 2HB HIS 31 -1.572 2.605 0.692 208 HD1 HIS 31 HD1 HIS 31 -2.710 0.167 3.384 209 HD2 HIS 31 HD2 HIS 31 -3.233 0.954 -0.662 210 HE1 HIS 31 HE1 HIS 31 -4.451 -1.469 2.601 211 H ARG 32 H ARG 32 0.240 1.563 -0.662 212 HA ARG 32 HA ARG 32 -0.359 -0.876 -1.650 213 HB2 ARG 32 1HB ARG 32 1.974 0.894 -2.378 214 HB3 ARG 32 2HB ARG 32 1.516 -0.522 -3.315 215 HG2 ARG 32 1HG ARG 32 -0.746 0.501 -3.602 216 HG3 ARG 32 2HG ARG 32 -0.109 1.964 -2.847 217 HD2 ARG 32 1HD ARG 32 0.180 2.432 -5.085 218 HD3 ARG 32 2HD ARG 32 1.751 1.756 -4.657 219 HE ARG 32 HE ARG 32 0.408 -0.411 -5.505 220 HH11 ARG 32 1HH1 ARG 32 0.855 2.756 -6.880 221 HH12 ARG 32 2HH1 ARG 32 0.756 2.202 -8.519 222 HH21 ARG 32 1HH2 ARG 32 0.276 -1.153 -7.658 223 HH22 ARG 32 2HH2 ARG 32 0.426 -0.022 -8.960 224 H ARG 33 H ARG 33 2.493 -0.053 0.218 225 HA ARG 33 HA ARG 33 4.137 -2.207 -0.222 226 HB2 ARG 33 1HB ARG 33 3.562 -0.740 2.354 227 HB3 ARG 33 2HB ARG 33 4.863 -1.910 2.175 228 HG2 ARG 33 1HG ARG 33 4.689 0.385 0.281 229 HG3 ARG 33 2HG ARG 33 5.330 0.637 1.905 230 HD2 ARG 33 1HD ARG 33 6.986 -1.120 1.526 231 HD3 ARG 33 2HD ARG 33 6.338 -1.386 -0.092 232 HE ARG 33 HE ARG 33 8.052 0.773 0.766 233 HH11 ARG 33 1HH1 ARG 33 5.813 -0.373 -1.642 234 HH12 ARG 33 2HH1 ARG 33 6.404 0.683 -2.882 235 HH21 ARG 33 1HH2 ARG 33 8.839 2.168 -0.859 236 HH22 ARG 33 2HH2 ARG 33 8.126 2.127 -2.436 237 H VAL 34 H VAL 34 1.365 -2.024 1.981 238 HA VAL 34 HA VAL 34 1.502 -4.371 3.336 239 HB VAL 34 HB VAL 34 -0.980 -4.469 3.281 240 HG11 VAL 34 1HG1 VAL 34 0.598 -2.084 3.998 241 HG12 VAL 34 2HG1 VAL 34 -1.153 -1.868 3.956 242 HG13 VAL 34 3HG1 VAL 34 -0.439 -3.103 4.995 243 HG21 VAL 34 3HG2 VAL 34 -1.592 -2.041 1.997 244 HG22 VAL 34 1HG2 VAL 34 -0.583 -2.960 0.879 245 HG23 VAL 34 2HG2 VAL 34 -2.067 -3.670 1.515 246 H HIS 35 H HIS 35 0.893 -3.967 -0.066 247 HA HIS 35 HA HIS 35 0.182 -6.778 -0.393 248 HB2 HIS 35 1HB HIS 35 0.381 -4.560 -2.440 249 HB3 HIS 35 2HB HIS 35 -0.218 -6.187 -2.748 250 HD1 HIS 35 HD1 HIS 35 -2.506 -6.824 -1.543 251 HD2 HIS 35 HD2 HIS 35 -1.473 -2.801 -1.444 252 HE1 HIS 35 HE1 HIS 35 -4.614 -5.604 -0.916 253 H THR 36 H THR 36 2.439 -7.240 0.458 254 HA THR 36 HA THR 36 4.248 -7.498 -1.843 255 HB THR 36 HB THR 36 6.194 -7.104 -0.360 256 HG1 THR 36 HG1 THR 36 4.132 -6.752 1.509 257 HG21 THR 36 3HG2 THR 36 5.483 -4.563 0.092 258 HG22 THR 36 1HG2 THR 36 4.178 -5.028 -0.998 259 HG23 THR 36 2HG2 THR 36 5.856 -5.175 -1.519 260 H GLY 37 H GLY 37 4.227 -9.632 -2.214 261 HA2 GLY 37 1HA GLY 37 4.251 -11.905 -1.829 262 HA3 GLY 37 2HA GLY 37 5.548 -11.492 -0.718 263 H GLY 38 H GLY 38 1.980 -11.371 -0.827 264 HA2 GLY 38 1HA GLY 38 1.125 -13.111 0.923 265 HA3 GLY 38 2HA GLY 38 1.939 -12.020 2.034 266 H LYS 39 H LYS 39 -0.941 -12.788 1.645 267 HA LYS 39 HA LYS 39 -2.242 -10.388 0.734 268 HB2 LYS 39 1HB LYS 39 -3.102 -13.025 1.807 269 HB3 LYS 39 2HB LYS 39 -4.223 -11.681 1.984 270 HG2 LYS 39 1HG LYS 39 -4.913 -12.468 -0.026 271 HG3 LYS 39 2HG LYS 39 -3.663 -11.352 -0.581 272 HD2 LYS 39 1HD LYS 39 -2.856 -14.141 0.057 273 HD3 LYS 39 2HD LYS 39 -3.779 -13.866 -1.422 274 HE2 LYS 39 1HE LYS 39 -2.136 -12.340 -2.246 275 HE3 LYS 39 2HE LYS 39 -1.285 -12.337 -0.702 276 HZ1 LYS 39 3HZ LYS 39 -0.814 -13.987 -2.867 277 HZ2 LYS 39 1HZ LYS 39 -1.519 -14.978 -1.691 278 HZ3 LYS 39 2HZ LYS 39 -0.121 -14.098 -1.328 279 HA PRO 40 HA PRO 40 -2.163 -8.123 4.508 280 HB2 PRO 40 1HB PRO 40 -4.331 -6.539 4.107 281 HB3 PRO 40 2HB PRO 40 -2.800 -6.305 3.256 282 HG2 PRO 40 1HG PRO 40 -5.300 -7.660 2.320 283 HG3 PRO 40 2HG PRO 40 -4.239 -6.540 1.445 284 HD2 PRO 40 1HD PRO 40 -4.138 -9.223 1.089 285 HD3 PRO 40 2HD PRO 40 -2.704 -8.186 0.948 286 H SER 41 H SER 41 -5.435 -9.155 3.517 287 HA SER 41 HA SER 41 -5.855 -10.495 6.029 288 HB2 SER 41 1HB SER 41 -6.348 -8.007 6.438 289 HB3 SER 41 2HB SER 41 -7.754 -8.239 5.399 290 HG SER 41 HG SER 41 -7.742 -8.641 7.905 291 H GLY 42 H GLY 42 -7.692 -11.848 6.025 292 HA2 GLY 42 1HA GLY 42 -8.329 -13.129 3.692 293 HA3 GLY 42 2HA GLY 42 -9.381 -13.110 5.099 294 HA PRO 43 HA PRO 43 -11.011 -10.552 1.356 295 HB2 PRO 43 1HB PRO 43 -12.359 -12.452 -0.038 296 HB3 PRO 43 2HB PRO 43 -10.679 -12.022 -0.378 297 HG2 PRO 43 1HG PRO 43 -11.764 -14.326 1.195 298 HG3 PRO 43 2HG PRO 43 -10.444 -14.303 0.011 299 HD2 PRO 43 1HD PRO 43 -10.005 -14.296 2.683 300 HD3 PRO 43 2HD PRO 43 -8.923 -13.481 1.536 301 H SER 44 H SER 44 -12.488 -13.357 2.959 302 HA SER 44 HA SER 44 -14.838 -11.680 3.542 303 HB2 SER 44 1HB SER 44 -15.200 -13.501 1.774 304 HB3 SER 44 2HB SER 44 -15.013 -14.658 3.092 305 HG SER 44 HG SER 44 -17.213 -14.045 2.682 306 H SER 45 H SER 45 -16.220 -13.011 5.290 307 HA SER 45 HA SER 45 -16.381 -13.760 7.437 308 HB2 SER 45 1HB SER 45 -13.520 -14.647 7.459 309 HB3 SER 45 2HB SER 45 -14.932 -15.409 8.190 310 HG SER 45 HG SER 45 -15.520 -15.540 5.741 311 H GLY 46 H GLY 46 -16.005 -11.140 7.196 312 HA2 GLY 46 1HA GLY 46 -15.630 -9.527 8.901 313 HA3 GLY 46 2HA GLY 46 -14.322 -10.525 9.518 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -27.476 -9.117 14.318 2 HA2 GLY 1 1HA GLY 1 -25.220 -10.009 12.905 3 HA3 GLY 1 2HA GLY 1 -26.504 -9.698 11.745 4 H SER 2 H SER 2 -23.944 -8.335 12.066 5 HA SER 2 HA SER 2 -24.609 -5.726 13.145 6 HB2 SER 2 1HB SER 2 -22.335 -6.726 13.421 7 HB3 SER 2 2HB SER 2 -22.106 -6.589 11.678 8 HG SER 2 HG SER 2 -21.272 -4.738 12.394 9 H SER 3 H SER 3 -23.987 -3.780 11.758 10 HA SER 3 HA SER 3 -24.247 -3.997 8.923 11 HB2 SER 3 1HB SER 3 -26.409 -2.909 8.664 12 HB3 SER 3 2HB SER 3 -26.604 -4.383 9.613 13 HG SER 3 HG SER 3 -26.471 -1.724 10.598 14 H GLY 4 H GLY 4 -24.547 -1.744 7.931 15 HA2 GLY 4 1HA GLY 4 -24.353 0.660 8.333 16 HA3 GLY 4 2HA GLY 4 -23.294 0.278 9.682 17 H SER 5 H SER 5 -23.547 -0.078 6.154 18 HA SER 5 HA SER 5 -20.703 -0.432 5.867 19 HB2 SER 5 1HB SER 5 -22.213 -1.547 4.309 20 HB3 SER 5 2HB SER 5 -22.871 0.007 3.798 21 HG SER 5 HG SER 5 -21.104 -1.058 2.499 22 H SER 6 H SER 6 -19.816 1.448 6.764 23 HA SER 6 HA SER 6 -20.530 4.071 6.190 24 HB2 SER 6 1HB SER 6 -17.794 2.945 6.833 25 HB3 SER 6 2HB SER 6 -18.207 4.659 6.871 26 HG SER 6 HG SER 6 -18.551 4.060 8.911 27 H GLY 7 H GLY 7 -20.560 5.147 4.338 28 HA2 GLY 7 1HA GLY 7 -18.399 4.704 2.401 29 HA3 GLY 7 2HA GLY 7 -20.061 4.529 1.857 30 H THR 8 H THR 8 -18.406 6.891 3.950 31 HA THR 8 HA THR 8 -19.536 9.019 2.253 32 HB THR 8 HB THR 8 -20.487 9.381 4.346 33 HG1 THR 8 HG1 THR 8 -19.363 11.262 3.622 34 HG21 THR 8 3HG2 THR 8 -19.461 7.808 5.743 35 HG22 THR 8 1HG2 THR 8 -19.005 9.357 6.450 36 HG23 THR 8 2HG2 THR 8 -17.851 8.467 5.457 37 H GLY 9 H GLY 9 -17.683 8.821 0.834 38 HA2 GLY 9 1HA GLY 9 -15.605 10.656 1.547 39 HA3 GLY 9 2HA GLY 9 -15.022 8.999 1.487 40 H GLU 10 H GLU 10 -14.318 11.294 -0.196 41 HA GLU 10 HA GLU 10 -14.638 9.968 -2.755 42 HB2 GLU 10 1HB GLU 10 -15.689 12.744 -2.222 43 HB3 GLU 10 2HB GLU 10 -15.317 12.164 -3.839 44 HG2 GLU 10 1HG GLU 10 -16.978 10.454 -3.682 45 HG3 GLU 10 2HG GLU 10 -17.259 10.818 -1.980 46 H LYS 11 H LYS 11 -12.533 9.724 -3.188 47 HA LYS 11 HA LYS 11 -10.907 12.139 -3.452 48 HB2 LYS 11 1HB LYS 11 -9.875 9.664 -2.060 49 HB3 LYS 11 2HB LYS 11 -9.017 11.181 -2.297 50 HG2 LYS 11 1HG LYS 11 -9.673 11.375 -0.113 51 HG3 LYS 11 2HG LYS 11 -11.006 12.187 -0.938 52 HD2 LYS 11 1HD LYS 11 -12.485 10.499 -0.499 53 HD3 LYS 11 2HD LYS 11 -11.230 9.258 -0.479 54 HE2 LYS 11 1HE LYS 11 -11.192 11.328 1.654 55 HE3 LYS 11 2HE LYS 11 -12.431 10.076 1.736 56 HZ1 LYS 11 3HZ LYS 11 -10.435 8.499 1.370 57 HZ2 LYS 11 1HZ LYS 11 -10.704 9.146 2.910 58 HZ3 LYS 11 2HZ LYS 11 -9.506 9.804 1.914 59 HA PRO 12 HA PRO 12 -9.770 10.236 -7.255 60 HB2 PRO 12 1HB PRO 12 -7.484 11.612 -7.757 61 HB3 PRO 12 2HB PRO 12 -9.092 12.327 -7.925 62 HG2 PRO 12 1HG PRO 12 -7.143 12.562 -5.666 63 HG3 PRO 12 2HG PRO 12 -8.142 13.820 -6.417 64 HD2 PRO 12 1HD PRO 12 -8.808 12.635 -4.075 65 HD3 PRO 12 2HD PRO 12 -10.024 13.207 -5.236 66 H TYR 13 H TYR 13 -7.879 10.042 -4.413 67 HA TYR 13 HA TYR 13 -5.916 8.251 -5.631 68 HB2 TYR 13 1HB TYR 13 -6.094 9.243 -2.778 69 HB3 TYR 13 2HB TYR 13 -4.746 8.367 -3.497 70 HD1 TYR 13 HD1 TYR 13 -3.414 9.476 -5.326 71 HD2 TYR 13 HD2 TYR 13 -6.265 11.589 -2.978 72 HE1 TYR 13 HE1 TYR 13 -2.386 11.605 -6.004 73 HE2 TYR 13 HE2 TYR 13 -5.245 13.723 -3.650 74 HH TYR 13 HH TYR 13 -3.616 14.708 -4.788 75 H LYS 14 H LYS 14 -6.306 6.151 -5.708 76 HA LYS 14 HA LYS 14 -7.572 4.824 -3.442 77 HB2 LYS 14 1HB LYS 14 -9.324 5.472 -5.203 78 HB3 LYS 14 2HB LYS 14 -8.566 4.262 -6.229 79 HG2 LYS 14 1HG LYS 14 -8.999 2.570 -4.468 80 HG3 LYS 14 2HG LYS 14 -9.878 3.802 -3.560 81 HD2 LYS 14 1HD LYS 14 -11.624 2.847 -4.677 82 HD3 LYS 14 2HD LYS 14 -11.156 4.064 -5.867 83 HE2 LYS 14 1HE LYS 14 -9.910 1.351 -5.954 84 HE3 LYS 14 2HE LYS 14 -11.536 1.582 -6.594 85 HZ1 LYS 14 3HZ LYS 14 -10.363 3.577 -7.801 86 HZ2 LYS 14 1HZ LYS 14 -10.308 2.012 -8.442 87 HZ3 LYS 14 2HZ LYS 14 -8.985 2.620 -7.582 88 H CYS 15 H CYS 15 -7.246 2.521 -3.423 89 HA CYS 15 HA CYS 15 -4.754 1.779 -4.741 90 HB2 CYS 15 1HB CYS 15 -5.029 1.413 -2.301 91 HB3 CYS 15 2HB CYS 15 -6.341 0.288 -2.641 92 H ASN 16 H ASN 16 -4.680 0.542 -6.491 93 HA ASN 16 HA ASN 16 -7.116 -0.640 -7.519 94 HB2 ASN 16 1HB ASN 16 -5.501 0.601 -8.976 95 HB3 ASN 16 2HB ASN 16 -4.341 -0.698 -8.718 96 HD21 ASN 16 1HD2 ASN 16 -4.430 -2.439 -9.981 97 HD22 ASN 16 2HD2 ASN 16 -5.675 -2.768 -11.133 98 H GLU 17 H GLU 17 -5.295 -1.666 -5.179 99 HA GLU 17 HA GLU 17 -4.924 -4.410 -6.147 100 HB2 GLU 17 1HB GLU 17 -4.025 -3.317 -3.486 101 HB3 GLU 17 2HB GLU 17 -3.461 -4.765 -4.309 102 HG2 GLU 17 1HG GLU 17 -2.963 -1.915 -5.134 103 HG3 GLU 17 2HG GLU 17 -1.791 -3.043 -4.455 104 H CYS 18 H CYS 18 -6.142 -2.743 -3.237 105 HA CYS 18 HA CYS 18 -7.932 -5.028 -2.770 106 HB2 CYS 18 1HB CYS 18 -8.139 -4.102 -0.458 107 HB3 CYS 18 2HB CYS 18 -6.500 -4.584 -0.883 108 H GLY 19 H GLY 19 -7.869 -1.472 -2.752 109 HA2 GLY 19 1HA GLY 19 -9.747 -0.458 -4.064 110 HA3 GLY 19 2HA GLY 19 -10.798 -1.527 -3.146 111 H LYS 20 H LYS 20 -8.064 0.038 -1.660 112 HA LYS 20 HA LYS 20 -9.880 1.459 0.120 113 HB2 LYS 20 1HB LYS 20 -6.919 0.905 0.188 114 HB3 LYS 20 2HB LYS 20 -7.687 2.011 1.319 115 HG2 LYS 20 1HG LYS 20 -9.146 0.188 2.084 116 HG3 LYS 20 2HG LYS 20 -8.317 -0.915 0.982 117 HD2 LYS 20 1HD LYS 20 -6.186 -0.380 2.160 118 HD3 LYS 20 2HD LYS 20 -7.120 0.560 3.326 119 HE2 LYS 20 1HE LYS 20 -8.329 -1.400 4.015 120 HE3 LYS 20 2HE LYS 20 -7.581 -2.361 2.741 121 HZ1 LYS 20 3HZ LYS 20 -6.001 -2.871 4.186 122 HZ2 LYS 20 1HZ LYS 20 -6.621 -1.803 5.343 123 HZ3 LYS 20 2HZ LYS 20 -5.508 -1.253 4.194 124 H VAL 21 H VAL 21 -10.082 3.637 0.246 125 HA VAL 21 HA VAL 21 -8.746 5.200 -1.848 126 HB VAL 21 HB VAL 21 -10.975 6.307 -0.197 127 HG11 VAL 21 1HG1 VAL 21 -9.721 7.649 -1.893 128 HG12 VAL 21 2HG1 VAL 21 -10.362 6.572 -3.135 129 HG13 VAL 21 3HG1 VAL 21 -11.460 7.560 -2.171 130 HG21 VAL 21 3HG2 VAL 21 -12.345 5.279 -2.286 131 HG22 VAL 21 1HG2 VAL 21 -11.162 3.999 -2.014 132 HG23 VAL 21 2HG2 VAL 21 -12.231 4.504 -0.706 133 H PHE 22 H PHE 22 -7.693 7.133 -1.399 134 HA PHE 22 HA PHE 22 -7.265 7.792 1.429 135 HB2 PHE 22 1HB PHE 22 -5.049 7.607 -0.621 136 HB3 PHE 22 2HB PHE 22 -4.870 8.040 1.076 137 HD1 PHE 22 HD2 PHE 22 -5.479 5.311 -1.284 138 HD2 PHE 22 HD1 PHE 22 -4.932 6.368 2.802 139 HE1 PHE 22 HE2 PHE 22 -5.142 2.940 -0.720 140 HE2 PHE 22 HE1 PHE 22 -4.593 3.999 3.373 141 HZ PHE 22 HZ PHE 22 -4.699 2.281 1.611 142 H THR 23 H THR 23 -6.207 9.955 1.691 143 HA THR 23 HA THR 23 -7.489 11.841 -0.119 144 HB THR 23 HB THR 23 -7.760 12.177 2.298 145 HG1 THR 23 HG1 THR 23 -6.590 14.052 0.615 146 HG21 THR 23 3HG2 THR 23 -5.648 11.287 3.091 147 HG22 THR 23 1HG2 THR 23 -5.833 12.951 3.641 148 HG23 THR 23 2HG2 THR 23 -4.767 12.584 2.285 149 H GLN 24 H GLN 24 -4.262 10.937 0.975 150 HA GLN 24 HA GLN 24 -3.125 12.781 -1.020 151 HB2 GLN 24 1HB GLN 24 -1.939 11.669 1.524 152 HB3 GLN 24 2HB GLN 24 -1.002 12.543 0.318 153 HG2 GLN 24 1HG GLN 24 -3.454 13.821 1.405 154 HG3 GLN 24 2HG GLN 24 -2.014 13.751 2.420 155 HE21 GLN 24 1HE2 GLN 24 -3.640 15.582 0.242 156 HE22 GLN 24 2HE2 GLN 24 -2.345 16.568 -0.337 157 H ASN 25 H ASN 25 -1.223 12.040 -2.181 158 HA ASN 25 HA ASN 25 -1.574 9.394 -3.189 159 HB2 ASN 25 1HB ASN 25 0.098 9.933 -4.777 160 HB3 ASN 25 2HB ASN 25 -0.771 11.438 -4.490 161 HD21 ASN 25 1HD2 ASN 25 2.224 9.947 -4.582 162 HD22 ASN 25 2HD2 ASN 25 3.160 11.200 -3.849 163 H SER 26 H SER 26 0.919 10.980 -1.229 164 HA SER 26 HA SER 26 2.801 9.002 -1.041 165 HB2 SER 26 1HB SER 26 1.850 11.086 0.888 166 HB3 SER 26 2HB SER 26 3.024 9.886 1.430 167 HG SER 26 HG SER 26 3.765 11.980 0.395 168 H HIS 27 H HIS 27 -0.007 9.391 1.121 169 HA HIS 27 HA HIS 27 0.366 7.151 2.698 170 HB2 HIS 27 1HB HIS 27 -2.315 8.190 1.767 171 HB3 HIS 27 2HB HIS 27 -1.984 7.283 3.239 172 HD1 HIS 27 HD1 HIS 27 -3.368 9.937 3.537 173 HD2 HIS 27 HD2 HIS 27 0.768 9.541 3.554 174 HE1 HIS 27 HE1 HIS 27 -2.503 11.968 4.742 175 H LEU 28 H LEU 28 -1.283 7.408 -0.426 176 HA LEU 28 HA LEU 28 -2.172 4.730 -0.537 177 HB2 LEU 28 1HB LEU 28 -3.210 6.294 -1.966 178 HB3 LEU 28 2HB LEU 28 -1.667 6.814 -2.640 179 HG LEU 28 HG LEU 28 -1.451 4.730 -3.850 180 HD11 LEU 28 1HD1 LEU 28 -3.555 3.890 -2.023 181 HD12 LEU 28 2HD1 LEU 28 -2.387 2.929 -2.929 182 HD13 LEU 28 3HD1 LEU 28 -3.881 3.458 -3.702 183 HD21 LEU 28 3HD2 LEU 28 -2.698 6.555 -4.901 184 HD22 LEU 28 1HD2 LEU 28 -4.195 5.934 -4.204 185 HD23 LEU 28 2HD2 LEU 28 -3.317 4.979 -5.399 186 H ALA 29 H ALA 29 0.713 6.331 -1.847 187 HA ALA 29 HA ALA 29 1.807 4.134 -3.182 188 HB1 ALA 29 3HB ALA 29 4.012 5.515 -2.353 189 HB2 ALA 29 1HB ALA 29 3.049 5.897 -3.780 190 HB3 ALA 29 2HB ALA 29 2.751 6.744 -2.262 191 H ARG 30 H ARG 30 2.394 5.287 0.135 192 HA ARG 30 HA ARG 30 4.183 3.201 0.820 193 HB2 ARG 30 1HB ARG 30 3.990 3.989 3.079 194 HB3 ARG 30 2HB ARG 30 4.003 5.387 2.013 195 HG2 ARG 30 1HG ARG 30 1.576 5.565 2.207 196 HG3 ARG 30 2HG ARG 30 1.560 4.157 3.271 197 HD2 ARG 30 1HD ARG 30 3.303 6.471 3.966 198 HD3 ARG 30 2HD ARG 30 1.567 6.601 4.244 199 HE ARG 30 HE ARG 30 1.736 5.028 5.931 200 HH11 ARG 30 1HH1 ARG 30 4.754 5.304 4.217 201 HH12 ARG 30 2HH1 ARG 30 5.653 4.400 5.391 202 HH21 ARG 30 1HH2 ARG 30 2.909 3.838 7.483 203 HH22 ARG 30 2HH2 ARG 30 4.602 3.566 7.247 204 H HIS 31 H HIS 31 0.699 3.550 0.999 205 HA HIS 31 HA HIS 31 0.093 1.432 2.710 206 HB2 HIS 31 1HB HIS 31 -1.701 2.843 2.192 207 HB3 HIS 31 2HB HIS 31 -1.400 2.748 0.460 208 HD1 HIS 31 HD1 HIS 31 -2.565 0.460 3.266 209 HD2 HIS 31 HD2 HIS 31 -3.029 1.009 -0.826 210 HE1 HIS 31 HE1 HIS 31 -4.296 -1.220 2.554 211 H ARG 32 H ARG 32 0.206 1.426 -0.855 212 HA ARG 32 HA ARG 32 -0.397 -1.120 -1.474 213 HB2 ARG 32 1HB ARG 32 1.943 0.445 -2.577 214 HB3 ARG 32 2HB ARG 32 1.253 -0.989 -3.327 215 HG2 ARG 32 1HG ARG 32 -0.799 0.131 -3.767 216 HG3 ARG 32 2HG ARG 32 -0.317 1.518 -2.787 217 HD2 ARG 32 1HD ARG 32 1.652 1.725 -4.429 218 HD3 ARG 32 2HD ARG 32 0.712 0.656 -5.470 219 HE ARG 32 HE ARG 32 -1.057 2.595 -4.866 220 HH11 ARG 32 1HH1 ARG 32 2.217 2.672 -6.048 221 HH12 ARG 32 2HH1 ARG 32 2.002 4.149 -6.929 222 HH21 ARG 32 1HH2 ARG 32 -1.352 4.540 -6.021 223 HH22 ARG 32 2HH2 ARG 32 -0.027 5.211 -6.912 224 H ARG 33 H ARG 33 2.390 -0.083 0.307 225 HA ARG 33 HA ARG 33 4.159 -2.166 0.007 226 HB2 ARG 33 1HB ARG 33 3.456 -0.647 2.524 227 HB3 ARG 33 2HB ARG 33 4.860 -1.693 2.359 228 HG2 ARG 33 1HG ARG 33 4.363 0.667 0.567 229 HG3 ARG 33 2HG ARG 33 5.274 0.771 2.074 230 HD2 ARG 33 1HD ARG 33 5.945 -1.116 -0.177 231 HD3 ARG 33 2HD ARG 33 6.674 0.477 0.023 232 HE ARG 33 HE ARG 33 6.956 -1.010 2.402 233 HH11 ARG 33 1HH1 ARG 33 8.167 -0.846 -0.858 234 HH12 ARG 33 2HH1 ARG 33 9.708 -1.530 -0.459 235 HH21 ARG 33 1HH2 ARG 33 8.982 -1.911 2.940 236 HH22 ARG 33 2HH2 ARG 33 10.170 -2.136 1.702 237 H VAL 34 H VAL 34 1.354 -2.007 2.176 238 HA VAL 34 HA VAL 34 1.586 -4.280 3.638 239 HB VAL 34 HB VAL 34 -0.829 -4.441 3.723 240 HG11 VAL 34 1HG1 VAL 34 -0.401 -2.717 5.108 241 HG12 VAL 34 2HG1 VAL 34 0.545 -1.844 3.901 242 HG13 VAL 34 3HG1 VAL 34 -1.217 -1.771 3.864 243 HG21 VAL 34 3HG2 VAL 34 -0.797 -2.605 1.329 244 HG22 VAL 34 1HG2 VAL 34 -1.362 -4.275 1.378 245 HG23 VAL 34 2HG2 VAL 34 -2.237 -3.022 2.257 246 H HIS 35 H HIS 35 0.530 -4.072 0.267 247 HA HIS 35 HA HIS 35 -0.036 -6.853 0.007 248 HB2 HIS 35 1HB HIS 35 0.519 -4.771 -2.117 249 HB3 HIS 35 2HB HIS 35 -0.134 -6.379 -2.416 250 HD1 HIS 35 HD1 HIS 35 -2.592 -6.819 -1.630 251 HD2 HIS 35 HD2 HIS 35 -1.308 -2.889 -1.222 252 HE1 HIS 35 HE1 HIS 35 -4.677 -5.467 -1.246 253 H THR 36 H THR 36 2.570 -4.881 -1.429 254 HA THR 36 HA THR 36 4.153 -7.288 -1.851 255 HB THR 36 HB THR 36 4.020 -5.618 -3.661 256 HG1 THR 36 HG1 THR 36 6.232 -5.653 -4.092 257 HG21 THR 36 3HG2 THR 36 5.833 -3.761 -2.233 258 HG22 THR 36 1HG2 THR 36 4.130 -3.717 -1.778 259 HG23 THR 36 2HG2 THR 36 4.604 -3.429 -3.453 260 H GLY 37 H GLY 37 4.532 -7.720 0.414 261 HA2 GLY 37 1HA GLY 37 6.135 -5.807 1.904 262 HA3 GLY 37 2HA GLY 37 5.554 -7.360 2.486 263 H GLY 38 H GLY 38 6.546 -9.112 0.642 264 HA2 GLY 38 1HA GLY 38 8.997 -9.039 -0.403 265 HA3 GLY 38 2HA GLY 38 9.379 -9.040 1.313 266 H LYS 39 H LYS 39 6.713 -10.713 1.448 267 HA LYS 39 HA LYS 39 6.137 -12.913 1.555 268 HB2 LYS 39 1HB LYS 39 8.343 -13.550 -0.390 269 HB3 LYS 39 2HB LYS 39 6.812 -14.384 -0.159 270 HG2 LYS 39 1HG LYS 39 5.757 -12.156 -0.946 271 HG3 LYS 39 2HG LYS 39 7.369 -11.818 -1.583 272 HD2 LYS 39 1HD LYS 39 7.306 -13.778 -2.958 273 HD3 LYS 39 2HD LYS 39 5.808 -14.324 -2.201 274 HE2 LYS 39 1HE LYS 39 5.966 -11.689 -3.624 275 HE3 LYS 39 2HE LYS 39 5.679 -13.187 -4.508 276 HZ1 LYS 39 3HZ LYS 39 3.996 -12.847 -2.193 277 HZ2 LYS 39 1HZ LYS 39 3.589 -13.306 -3.770 278 HZ3 LYS 39 2HZ LYS 39 3.760 -11.668 -3.384 279 HA PRO 40 HA PRO 40 10.033 -13.481 4.168 280 HB2 PRO 40 1HB PRO 40 8.896 -12.911 6.566 281 HB3 PRO 40 2HB PRO 40 9.645 -11.681 5.542 282 HG2 PRO 40 1HG PRO 40 6.751 -12.379 5.856 283 HG3 PRO 40 2HG PRO 40 7.512 -10.781 5.764 284 HD2 PRO 40 1HD PRO 40 6.276 -11.929 3.647 285 HD3 PRO 40 2HD PRO 40 7.675 -10.851 3.466 286 H SER 41 H SER 41 7.081 -14.846 3.621 287 HA SER 41 HA SER 41 7.733 -17.153 5.322 288 HB2 SER 41 1HB SER 41 5.025 -15.856 4.976 289 HB3 SER 41 2HB SER 41 5.235 -17.486 5.616 290 HG SER 41 HG SER 41 6.687 -15.367 6.744 291 H GLY 42 H GLY 42 8.465 -18.498 3.758 292 HA2 GLY 42 1HA GLY 42 6.597 -19.793 2.073 293 HA3 GLY 42 2HA GLY 42 7.563 -18.670 1.127 294 HA PRO 43 HA PRO 43 9.723 -22.854 1.876 295 HB2 PRO 43 1HB PRO 43 9.306 -23.971 -0.563 296 HB3 PRO 43 2HB PRO 43 8.207 -24.205 0.802 297 HG2 PRO 43 1HG PRO 43 7.976 -22.324 -1.516 298 HG3 PRO 43 2HG PRO 43 6.727 -23.335 -0.767 299 HD2 PRO 43 1HD PRO 43 6.965 -20.689 -0.245 300 HD3 PRO 43 2HD PRO 43 6.386 -21.853 0.965 301 H SER 44 H SER 44 9.665 -20.341 -0.477 302 HA SER 44 HA SER 44 12.309 -21.075 -1.504 303 HB2 SER 44 1HB SER 44 10.293 -19.014 -2.416 304 HB3 SER 44 2HB SER 44 11.898 -19.190 -3.124 305 HG SER 44 HG SER 44 10.478 -20.393 -4.343 306 H SER 45 H SER 45 10.661 -18.123 -0.359 307 HA SER 45 HA SER 45 13.258 -17.194 0.676 308 HB2 SER 45 1HB SER 45 12.490 -15.683 -1.020 309 HB3 SER 45 2HB SER 45 10.869 -15.635 -0.326 310 HG SER 45 HG SER 45 12.211 -13.797 0.196 311 H GLY 46 H GLY 46 13.366 -16.288 2.737 312 HA2 GLY 46 1HA GLY 46 11.133 -17.062 4.489 313 HA3 GLY 46 2HA GLY 46 12.800 -16.841 4.999 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -39.218 2.794 -8.531 2 HA2 GLY 1 1HA GLY 1 -36.758 1.295 -7.952 3 HA3 GLY 1 2HA GLY 1 -36.876 2.167 -9.474 4 H SER 2 H SER 2 -34.822 2.932 -8.103 5 HA SER 2 HA SER 2 -35.426 5.635 -7.354 6 HB2 SER 2 1HB SER 2 -34.508 3.657 -5.266 7 HB3 SER 2 2HB SER 2 -34.268 5.396 -5.092 8 HG SER 2 HG SER 2 -36.593 3.894 -4.934 9 H SER 3 H SER 3 -33.847 6.830 -8.167 10 HA SER 3 HA SER 3 -31.101 5.791 -8.131 11 HB2 SER 3 1HB SER 3 -32.412 7.105 -10.524 12 HB3 SER 3 2HB SER 3 -30.730 6.583 -10.423 13 HG SER 3 HG SER 3 -33.069 4.995 -10.456 14 H GLY 4 H GLY 4 -29.475 7.347 -7.982 15 HA2 GLY 4 1HA GLY 4 -29.481 10.017 -8.339 16 HA3 GLY 4 2HA GLY 4 -30.339 9.852 -6.814 17 H SER 5 H SER 5 -28.271 11.285 -6.443 18 HA SER 5 HA SER 5 -26.000 9.564 -5.734 19 HB2 SER 5 1HB SER 5 -26.172 12.578 -5.970 20 HB3 SER 5 2HB SER 5 -24.719 11.676 -5.538 21 HG SER 5 HG SER 5 -25.006 12.286 -7.830 22 H SER 6 H SER 6 -24.776 10.555 -3.723 23 HA SER 6 HA SER 6 -26.740 11.133 -1.611 24 HB2 SER 6 1HB SER 6 -24.550 9.053 -1.570 25 HB3 SER 6 2HB SER 6 -25.330 9.646 -0.104 26 HG SER 6 HG SER 6 -27.354 9.001 -1.163 27 H GLY 7 H GLY 7 -25.732 12.017 0.379 28 HA2 GLY 7 1HA GLY 7 -23.918 14.126 -0.315 29 HA3 GLY 7 2HA GLY 7 -24.590 13.811 1.278 30 H THR 8 H THR 8 -22.248 12.416 -1.016 31 HA THR 8 HA THR 8 -20.398 12.050 1.236 32 HB THR 8 HB THR 8 -19.664 9.876 0.193 33 HG1 THR 8 HG1 THR 8 -21.583 8.951 -1.062 34 HG21 THR 8 3HG2 THR 8 -20.835 9.117 1.933 35 HG22 THR 8 1HG2 THR 8 -22.217 8.948 0.852 36 HG23 THR 8 2HG2 THR 8 -22.006 10.427 1.789 37 H GLY 9 H GLY 9 -18.136 11.548 0.428 38 HA2 GLY 9 1HA GLY 9 -17.618 12.855 -2.163 39 HA3 GLY 9 2HA GLY 9 -16.754 13.370 -0.722 40 H GLU 10 H GLU 10 -16.069 11.948 -3.387 41 HA GLU 10 HA GLU 10 -14.582 9.699 -2.204 42 HB2 GLU 10 1HB GLU 10 -15.595 10.187 -4.997 43 HB3 GLU 10 2HB GLU 10 -14.351 8.991 -4.661 44 HG2 GLU 10 1HG GLU 10 -16.221 7.688 -4.597 45 HG3 GLU 10 2HG GLU 10 -16.075 8.129 -2.897 46 H LYS 11 H LYS 11 -12.411 9.315 -3.000 47 HA LYS 11 HA LYS 11 -11.051 11.828 -3.712 48 HB2 LYS 11 1HB LYS 11 -10.187 9.477 -2.045 49 HB3 LYS 11 2HB LYS 11 -9.014 10.600 -2.719 50 HG2 LYS 11 1HG LYS 11 -9.427 11.321 -0.519 51 HG3 LYS 11 2HG LYS 11 -10.295 12.443 -1.570 52 HD2 LYS 11 1HD LYS 11 -12.374 11.532 -1.024 53 HD3 LYS 11 2HD LYS 11 -11.662 10.036 -0.415 54 HE2 LYS 11 1HE LYS 11 -11.221 12.714 0.886 55 HE3 LYS 11 2HE LYS 11 -12.550 11.642 1.326 56 HZ1 LYS 11 3HZ LYS 11 -9.930 10.409 1.285 57 HZ2 LYS 11 1HZ LYS 11 -11.184 10.254 2.411 58 HZ3 LYS 11 2HZ LYS 11 -10.145 11.587 2.480 59 HA PRO 12 HA PRO 12 -9.677 10.061 -7.494 60 HB2 PRO 12 1HB PRO 12 -7.352 11.419 -7.840 61 HB3 PRO 12 2HB PRO 12 -8.941 12.165 -8.051 62 HG2 PRO 12 1HG PRO 12 -7.090 12.283 -5.701 63 HG3 PRO 12 2HG PRO 12 -8.037 13.584 -6.446 64 HD2 PRO 12 1HD PRO 12 -8.823 12.322 -4.183 65 HD3 PRO 12 2HD PRO 12 -9.978 12.957 -5.373 66 H TYR 13 H TYR 13 -7.837 9.801 -4.598 67 HA TYR 13 HA TYR 13 -5.932 7.942 -5.812 68 HB2 TYR 13 1HB TYR 13 -6.054 9.121 -3.029 69 HB3 TYR 13 2HB TYR 13 -4.805 8.019 -3.598 70 HD1 TYR 13 HD1 TYR 13 -3.273 8.760 -5.443 71 HD2 TYR 13 HD2 TYR 13 -5.951 11.437 -3.503 72 HE1 TYR 13 HE1 TYR 13 -1.971 10.667 -6.291 73 HE2 TYR 13 HE2 TYR 13 -4.657 13.351 -4.346 74 HH TYR 13 HH TYR 13 -1.579 12.961 -5.869 75 H LYS 14 H LYS 14 -6.832 5.985 -6.072 76 HA LYS 14 HA LYS 14 -7.940 4.684 -3.680 77 HB2 LYS 14 1HB LYS 14 -9.888 5.155 -4.927 78 HB3 LYS 14 2HB LYS 14 -9.110 4.753 -6.452 79 HG2 LYS 14 1HG LYS 14 -9.188 2.438 -5.994 80 HG3 LYS 14 2HG LYS 14 -9.616 2.715 -4.304 81 HD2 LYS 14 1HD LYS 14 -11.792 3.428 -4.866 82 HD3 LYS 14 2HD LYS 14 -11.374 3.620 -6.570 83 HE2 LYS 14 1HE LYS 14 -10.895 1.082 -6.495 84 HE3 LYS 14 2HE LYS 14 -11.843 1.105 -5.008 85 HZ1 LYS 14 3HZ LYS 14 -13.589 0.871 -6.350 86 HZ2 LYS 14 1HZ LYS 14 -12.717 1.295 -7.736 87 HZ3 LYS 14 2HZ LYS 14 -13.379 2.501 -6.751 88 H CYS 15 H CYS 15 -7.103 2.734 -3.261 89 HA CYS 15 HA CYS 15 -4.929 1.744 -4.788 90 HB2 CYS 15 1HB CYS 15 -5.134 1.431 -2.342 91 HB3 CYS 15 2HB CYS 15 -6.503 0.356 -2.608 92 H ASN 16 H ASN 16 -4.933 0.481 -6.520 93 HA ASN 16 HA ASN 16 -7.427 -0.712 -7.414 94 HB2 ASN 16 1HB ASN 16 -5.668 0.579 -8.858 95 HB3 ASN 16 2HB ASN 16 -4.827 -0.968 -8.889 96 HD21 ASN 16 1HD2 ASN 16 -7.323 0.903 -10.200 97 HD22 ASN 16 2HD2 ASN 16 -8.009 -0.299 -11.234 98 H GLU 17 H GLU 17 -5.576 -1.723 -5.154 99 HA GLU 17 HA GLU 17 -5.108 -4.439 -6.163 100 HB2 GLU 17 1HB GLU 17 -4.233 -3.339 -3.496 101 HB3 GLU 17 2HB GLU 17 -3.634 -4.769 -4.324 102 HG2 GLU 17 1HG GLU 17 -3.214 -1.905 -5.142 103 HG3 GLU 17 2HG GLU 17 -2.010 -3.006 -4.473 104 H CYS 18 H CYS 18 -6.304 -2.904 -3.170 105 HA CYS 18 HA CYS 18 -8.038 -5.236 -2.752 106 HB2 CYS 18 1HB CYS 18 -8.242 -4.391 -0.421 107 HB3 CYS 18 2HB CYS 18 -6.583 -4.764 -0.879 108 H GLY 19 H GLY 19 -8.092 -1.680 -2.647 109 HA2 GLY 19 1HA GLY 19 -10.058 -0.768 -3.962 110 HA3 GLY 19 2HA GLY 19 -11.028 -1.810 -2.931 111 H LYS 20 H LYS 20 -8.231 -0.060 -1.768 112 HA LYS 20 HA LYS 20 -9.952 1.371 0.100 113 HB2 LYS 20 1HB LYS 20 -7.067 0.655 -0.010 114 HB3 LYS 20 2HB LYS 20 -7.501 2.117 0.865 115 HG2 LYS 20 1HG LYS 20 -9.106 0.761 2.201 116 HG3 LYS 20 2HG LYS 20 -8.474 -0.680 1.401 117 HD2 LYS 20 1HD LYS 20 -6.393 -0.484 2.420 118 HD3 LYS 20 2HD LYS 20 -6.624 1.228 2.783 119 HE2 LYS 20 1HE LYS 20 -6.935 0.297 4.859 120 HE3 LYS 20 2HE LYS 20 -8.593 0.333 4.261 121 HZ1 LYS 20 3HZ LYS 20 -6.761 -1.998 4.347 122 HZ2 LYS 20 1HZ LYS 20 -8.234 -2.003 3.514 123 HZ3 LYS 20 2HZ LYS 20 -8.212 -1.796 5.192 124 H VAL 21 H VAL 21 -9.194 3.676 0.637 125 HA VAL 21 HA VAL 21 -8.345 5.142 -1.753 126 HB VAL 21 HB VAL 21 -10.731 6.057 -0.159 127 HG11 VAL 21 1HG1 VAL 21 -9.418 7.720 -1.467 128 HG12 VAL 21 2HG1 VAL 21 -9.807 6.809 -2.928 129 HG13 VAL 21 3HG1 VAL 21 -11.096 7.562 -1.989 130 HG21 VAL 21 3HG2 VAL 21 -10.587 4.179 -2.471 131 HG22 VAL 21 1HG2 VAL 21 -11.651 4.157 -1.065 132 HG23 VAL 21 2HG2 VAL 21 -11.935 5.312 -2.368 133 H PHE 22 H PHE 22 -7.529 7.249 -1.332 134 HA PHE 22 HA PHE 22 -7.142 7.983 1.470 135 HB2 PHE 22 1HB PHE 22 -4.833 7.787 -0.472 136 HB3 PHE 22 2HB PHE 22 -4.748 8.251 1.224 137 HD1 PHE 22 HD1 PHE 22 -4.944 6.592 2.980 138 HD2 PHE 22 HD2 PHE 22 -5.090 5.484 -1.127 139 HE1 PHE 22 HE1 PHE 22 -4.580 4.240 3.605 140 HE2 PHE 22 HE2 PHE 22 -4.726 3.130 -0.508 141 HZ PHE 22 HZ PHE 22 -4.471 2.506 1.860 142 H THR 23 H THR 23 -6.251 10.186 1.710 143 HA THR 23 HA THR 23 -7.547 11.973 -0.134 144 HB THR 23 HB THR 23 -7.601 12.456 2.262 145 HG1 THR 23 HG1 THR 23 -7.509 14.186 0.605 146 HG21 THR 23 3HG2 THR 23 -5.700 12.949 3.554 147 HG22 THR 23 1HG2 THR 23 -4.666 13.099 2.134 148 HG23 THR 23 2HG2 THR 23 -5.250 11.512 2.636 149 H GLN 24 H GLN 24 -4.218 11.175 0.743 150 HA GLN 24 HA GLN 24 -3.299 12.817 -1.524 151 HB2 GLN 24 1HB GLN 24 -1.949 12.125 1.081 152 HB3 GLN 24 2HB GLN 24 -1.061 12.756 -0.300 153 HG2 GLN 24 1HG GLN 24 -3.430 14.194 0.838 154 HG3 GLN 24 2HG GLN 24 -1.808 14.402 1.496 155 HE21 GLN 24 1HE2 GLN 24 -0.296 15.541 0.351 156 HE22 GLN 24 2HE2 GLN 24 -0.670 16.446 -1.072 157 H ASN 25 H ASN 25 -1.164 11.992 -2.447 158 HA ASN 25 HA ASN 25 -1.568 9.259 -3.251 159 HB2 ASN 25 1HB ASN 25 -0.725 11.258 -4.687 160 HB3 ASN 25 2HB ASN 25 0.846 10.893 -3.980 161 HD21 ASN 25 1HD2 ASN 25 2.061 9.614 -5.150 162 HD22 ASN 25 2HD2 ASN 25 1.509 8.401 -6.250 163 H SER 26 H SER 26 0.963 11.053 -1.520 164 HA SER 26 HA SER 26 2.859 9.153 -1.118 165 HB2 SER 26 1HB SER 26 2.829 11.530 -0.221 166 HB3 SER 26 2HB SER 26 1.885 10.914 1.135 167 HG SER 26 HG SER 26 3.820 9.291 1.100 168 H HIS 27 H HIS 27 0.135 9.669 1.131 169 HA HIS 27 HA HIS 27 0.534 7.528 2.802 170 HB2 HIS 27 1HB HIS 27 -2.178 8.470 1.855 171 HB3 HIS 27 2HB HIS 27 -1.809 7.663 3.376 172 HD1 HIS 27 HD1 HIS 27 -3.125 10.555 3.008 173 HD2 HIS 27 HD2 HIS 27 0.818 9.727 4.022 174 HE1 HIS 27 HE1 HIS 27 -2.292 12.607 4.200 175 H LEU 28 H LEU 28 -1.244 7.555 -0.268 176 HA LEU 28 HA LEU 28 -2.103 4.887 -0.208 177 HB2 LEU 28 1HB LEU 28 -3.116 6.342 -1.762 178 HB3 LEU 28 2HB LEU 28 -1.563 6.804 -2.456 179 HG LEU 28 HG LEU 28 -1.354 4.526 -3.403 180 HD11 LEU 28 1HD1 LEU 28 -3.080 3.681 -1.592 181 HD12 LEU 28 2HD1 LEU 28 -2.919 2.887 -3.158 182 HD13 LEU 28 3HD1 LEU 28 -4.235 4.026 -2.880 183 HD21 LEU 28 3HD2 LEU 28 -2.204 6.284 -4.805 184 HD22 LEU 28 1HD2 LEU 28 -3.826 6.089 -4.139 185 HD23 LEU 28 2HD2 LEU 28 -3.118 4.810 -5.126 186 H ALA 29 H ALA 29 0.739 6.330 -1.798 187 HA ALA 29 HA ALA 29 1.852 4.103 -2.944 188 HB1 ALA 29 3HB ALA 29 2.671 6.705 -2.462 189 HB2 ALA 29 1HB ALA 29 3.898 5.712 -1.674 190 HB3 ALA 29 2HB ALA 29 3.543 5.482 -3.386 191 H ARG 30 H ARG 30 2.177 5.175 0.421 192 HA ARG 30 HA ARG 30 3.976 3.146 1.216 193 HB2 ARG 30 1HB ARG 30 2.037 4.840 2.793 194 HB3 ARG 30 2HB ARG 30 3.181 3.732 3.538 195 HG2 ARG 30 1HG ARG 30 5.039 4.977 2.625 196 HG3 ARG 30 2HG ARG 30 3.929 6.046 1.764 197 HD2 ARG 30 1HD ARG 30 4.360 7.321 3.613 198 HD3 ARG 30 2HD ARG 30 2.950 6.424 4.176 199 HE ARG 30 HE ARG 30 5.677 6.154 5.105 200 HH11 ARG 30 1HH1 ARG 30 2.488 4.764 4.977 201 HH12 ARG 30 2HH1 ARG 30 2.726 3.764 6.372 202 HH21 ARG 30 1HH2 ARG 30 6.003 4.842 6.943 203 HH22 ARG 30 2HH2 ARG 30 4.725 3.810 7.489 204 H HIS 31 H HIS 31 0.448 3.442 1.612 205 HA HIS 31 HA HIS 31 -0.089 1.101 2.941 206 HB2 HIS 31 1HB HIS 31 -1.920 2.525 2.609 207 HB3 HIS 31 2HB HIS 31 -1.642 2.632 0.874 208 HD1 HIS 31 HD1 HIS 31 -2.891 0.169 3.465 209 HD2 HIS 31 HD2 HIS 31 -3.078 0.860 -0.628 210 HE1 HIS 31 HE1 HIS 31 -4.553 -1.497 2.577 211 H ARG 32 H ARG 32 0.128 1.534 -0.586 212 HA ARG 32 HA ARG 32 -0.485 -0.924 -1.527 213 HB2 ARG 32 1HB ARG 32 1.845 0.803 -2.377 214 HB3 ARG 32 2HB ARG 32 1.238 -0.564 -3.302 215 HG2 ARG 32 1HG ARG 32 -0.969 0.583 -3.420 216 HG3 ARG 32 2HG ARG 32 -0.220 1.986 -2.655 217 HD2 ARG 32 1HD ARG 32 -0.153 2.438 -4.959 218 HD3 ARG 32 2HD ARG 32 1.479 1.912 -4.546 219 HE ARG 32 HE ARG 32 0.366 -0.381 -5.342 220 HH11 ARG 32 1HH1 ARG 32 0.340 2.797 -6.764 221 HH12 ARG 32 2HH1 ARG 32 0.225 2.210 -8.390 222 HH21 ARG 32 1HH2 ARG 32 0.216 -1.165 -7.479 223 HH22 ARG 32 2HH2 ARG 32 0.154 -0.043 -8.795 224 H ARG 33 H ARG 33 2.533 -0.017 0.062 225 HA ARG 33 HA ARG 33 4.146 -2.158 -0.378 226 HB2 ARG 33 1HB ARG 33 3.672 -0.690 2.219 227 HB3 ARG 33 2HB ARG 33 4.988 -1.830 1.974 228 HG2 ARG 33 1HG ARG 33 5.575 -0.321 -0.054 229 HG3 ARG 33 2HG ARG 33 4.584 0.875 0.784 230 HD2 ARG 33 1HD ARG 33 5.984 0.633 2.777 231 HD3 ARG 33 2HD ARG 33 6.970 -0.564 1.939 232 HE ARG 33 HE ARG 33 7.028 1.673 0.348 233 HH11 ARG 33 1HH1 ARG 33 7.884 0.906 3.634 234 HH12 ARG 33 2HH1 ARG 33 9.148 2.087 3.718 235 HH21 ARG 33 1HH2 ARG 33 8.691 3.231 0.446 236 HH22 ARG 33 2HH2 ARG 33 9.606 3.410 1.904 237 H VAL 34 H VAL 34 1.449 -2.011 1.912 238 HA VAL 34 HA VAL 34 1.692 -4.336 3.298 239 HB VAL 34 HB VAL 34 -0.732 -4.452 3.456 240 HG11 VAL 34 1HG1 VAL 34 -0.944 -1.715 3.671 241 HG12 VAL 34 2HG1 VAL 34 -0.339 -2.809 4.917 242 HG13 VAL 34 3HG1 VAL 34 0.789 -1.999 3.829 243 HG21 VAL 34 3HG2 VAL 34 -1.733 -4.135 1.443 244 HG22 VAL 34 1HG2 VAL 34 -1.883 -2.488 2.056 245 HG23 VAL 34 2HG2 VAL 34 -0.581 -2.899 0.940 246 H HIS 35 H HIS 35 0.637 -3.983 -0.046 247 HA HIS 35 HA HIS 35 -0.031 -6.757 -0.358 248 HB2 HIS 35 1HB HIS 35 0.393 -4.570 -2.404 249 HB3 HIS 35 2HB HIS 35 -0.216 -6.181 -2.772 250 HD1 HIS 35 HD1 HIS 35 -2.583 -6.787 -1.665 251 HD2 HIS 35 HD2 HIS 35 -1.503 -2.776 -1.592 252 HE1 HIS 35 HE1 HIS 35 -4.707 -5.528 -1.191 253 H THR 36 H THR 36 2.481 -4.752 -1.912 254 HA THR 36 HA THR 36 3.967 -6.725 -3.087 255 HB THR 36 HB THR 36 5.931 -5.245 -2.901 256 HG1 THR 36 HG1 THR 36 5.446 -3.163 -1.784 257 HG21 THR 36 3HG2 THR 36 3.281 -4.342 -3.818 258 HG22 THR 36 1HG2 THR 36 4.807 -4.449 -4.693 259 HG23 THR 36 2HG2 THR 36 4.491 -3.073 -3.637 260 H GLY 37 H GLY 37 5.634 -8.087 -2.501 261 HA2 GLY 37 1HA GLY 37 7.086 -9.234 -1.107 262 HA3 GLY 37 2HA GLY 37 6.717 -8.081 0.167 263 H GLY 38 H GLY 38 4.695 -10.359 -1.687 264 HA2 GLY 38 1HA GLY 38 4.184 -11.884 0.746 265 HA3 GLY 38 2HA GLY 38 2.805 -11.053 0.042 266 H LYS 39 H LYS 39 2.077 -13.385 0.019 267 HA LYS 39 HA LYS 39 2.717 -14.512 -2.612 268 HB2 LYS 39 1HB LYS 39 3.861 -15.690 -0.587 269 HB3 LYS 39 2HB LYS 39 2.256 -16.335 -0.274 270 HG2 LYS 39 1HG LYS 39 2.206 -17.402 -2.427 271 HG3 LYS 39 2HG LYS 39 3.738 -16.647 -2.876 272 HD2 LYS 39 1HD LYS 39 4.666 -17.839 -0.775 273 HD3 LYS 39 2HD LYS 39 3.215 -18.836 -0.896 274 HE2 LYS 39 1HE LYS 39 3.836 -19.671 -3.002 275 HE3 LYS 39 2HE LYS 39 5.045 -18.410 -3.239 276 HZ1 LYS 39 3HZ LYS 39 5.414 -20.162 -0.941 277 HZ2 LYS 39 1HZ LYS 39 6.561 -19.502 -1.995 278 HZ3 LYS 39 2HZ LYS 39 5.662 -20.856 -2.464 279 HA PRO 40 HA PRO 40 -1.673 -14.596 -3.013 280 HB2 PRO 40 1HB PRO 40 -1.850 -16.321 -5.102 281 HB3 PRO 40 2HB PRO 40 -1.308 -14.648 -5.281 282 HG2 PRO 40 1HG PRO 40 0.316 -17.156 -5.094 283 HG3 PRO 40 2HG PRO 40 0.524 -15.766 -6.176 284 HD2 PRO 40 1HD PRO 40 2.019 -16.113 -3.944 285 HD3 PRO 40 2HD PRO 40 1.579 -14.507 -4.559 286 H SER 41 H SER 41 0.075 -17.688 -3.022 287 HA SER 41 HA SER 41 -2.104 -19.366 -2.517 288 HB2 SER 41 1HB SER 41 -0.472 -21.022 -1.815 289 HB3 SER 41 2HB SER 41 0.162 -20.141 -3.206 290 HG SER 41 HG SER 41 0.781 -19.135 -0.688 291 H GLY 42 H GLY 42 -3.316 -19.734 -0.772 292 HA2 GLY 42 1HA GLY 42 -2.276 -18.919 1.862 293 HA3 GLY 42 2HA GLY 42 -3.863 -18.374 1.337 294 HA PRO 43 HA PRO 43 -3.810 -22.787 3.266 295 HB2 PRO 43 1HB PRO 43 -4.157 -22.212 5.897 296 HB3 PRO 43 2HB PRO 43 -2.564 -22.431 5.163 297 HG2 PRO 43 1HG PRO 43 -4.022 -19.896 5.804 298 HG3 PRO 43 2HG PRO 43 -2.312 -20.296 6.050 299 HD2 PRO 43 1HD PRO 43 -3.173 -18.799 3.965 300 HD3 PRO 43 2HD PRO 43 -1.768 -19.878 3.850 301 H SER 44 H SER 44 -5.687 -20.060 2.993 302 HA SER 44 HA SER 44 -8.100 -21.534 3.817 303 HB2 SER 44 1HB SER 44 -9.124 -19.336 4.399 304 HB3 SER 44 2HB SER 44 -7.742 -19.744 5.416 305 HG SER 44 HG SER 44 -6.616 -18.157 4.552 306 H SER 45 H SER 45 -8.643 -22.260 1.796 307 HA SER 45 HA SER 45 -8.479 -20.861 -0.600 308 HB2 SER 45 1HB SER 45 -10.280 -22.449 -1.390 309 HB3 SER 45 2HB SER 45 -8.880 -23.224 -0.649 310 HG SER 45 HG SER 45 -10.524 -24.176 0.368 311 H GLY 46 H GLY 46 -11.269 -21.181 1.593 312 HA2 GLY 46 1HA GLY 46 -12.523 -19.099 2.040 313 HA3 GLY 46 2HA GLY 46 -12.391 -18.760 0.321 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -12.108 8.392 10.699 2 HA2 GLY 1 1HA GLY 1 -13.520 6.863 9.689 3 HA3 GLY 1 2HA GLY 1 -12.242 5.662 9.807 4 H SER 2 H SER 2 -15.288 6.232 10.714 5 HA SER 2 HA SER 2 -15.166 4.293 12.848 6 HB2 SER 2 1HB SER 2 -16.378 5.714 14.480 7 HB3 SER 2 2HB SER 2 -14.768 6.337 14.118 8 HG SER 2 HG SER 2 -15.638 7.962 12.964 9 H SER 3 H SER 3 -17.504 3.989 13.757 10 HA SER 3 HA SER 3 -19.152 3.332 11.534 11 HB2 SER 3 1HB SER 3 -19.898 3.351 14.467 12 HB3 SER 3 2HB SER 3 -20.718 2.471 13.178 13 HG SER 3 HG SER 3 -18.897 1.186 12.938 14 H GLY 4 H GLY 4 -20.223 4.813 10.400 15 HA2 GLY 4 1HA GLY 4 -22.402 6.201 11.091 16 HA3 GLY 4 2HA GLY 4 -21.130 7.271 11.660 17 H SER 5 H SER 5 -19.254 7.235 9.773 18 HA SER 5 HA SER 5 -20.631 7.857 7.249 19 HB2 SER 5 1HB SER 5 -19.210 9.846 6.977 20 HB3 SER 5 2HB SER 5 -20.186 9.963 8.441 21 HG SER 5 HG SER 5 -17.695 8.796 8.744 22 H SER 6 H SER 6 -19.903 5.867 6.418 23 HA SER 6 HA SER 6 -17.133 5.159 6.405 24 HB2 SER 6 1HB SER 6 -19.423 4.101 4.729 25 HB3 SER 6 2HB SER 6 -17.827 3.362 4.863 26 HG SER 6 HG SER 6 -19.703 2.647 6.301 27 H GLY 7 H GLY 7 -19.341 6.019 3.729 28 HA2 GLY 7 1HA GLY 7 -17.015 6.777 2.119 29 HA3 GLY 7 2HA GLY 7 -18.655 6.550 1.528 30 H THR 8 H THR 8 -16.374 8.768 2.871 31 HA THR 8 HA THR 8 -18.378 10.923 2.779 32 HB THR 8 HB THR 8 -16.709 12.247 4.102 33 HG1 THR 8 HG1 THR 8 -14.964 11.153 4.998 34 HG21 THR 8 3HG2 THR 8 -17.047 10.005 5.899 35 HG22 THR 8 1HG2 THR 8 -18.506 10.291 4.951 36 HG23 THR 8 2HG2 THR 8 -17.818 11.591 5.926 37 H GLY 9 H GLY 9 -17.311 9.956 0.368 38 HA2 GLY 9 1HA GLY 9 -16.891 11.695 -1.395 39 HA3 GLY 9 2HA GLY 9 -15.505 12.159 -0.419 40 H GLU 10 H GLU 10 -15.937 10.986 -3.225 41 HA GLU 10 HA GLU 10 -14.311 8.565 -2.996 42 HB2 GLU 10 1HB GLU 10 -15.816 9.791 -5.307 43 HB3 GLU 10 2HB GLU 10 -14.762 8.394 -5.479 44 HG2 GLU 10 1HG GLU 10 -16.239 7.402 -3.575 45 HG3 GLU 10 2HG GLU 10 -17.394 8.624 -4.103 46 H LYS 11 H LYS 11 -12.420 9.791 -2.330 47 HA LYS 11 HA LYS 11 -11.186 11.801 -3.793 48 HB2 LYS 11 1HB LYS 11 -9.878 9.595 -2.190 49 HB3 LYS 11 2HB LYS 11 -9.091 11.082 -2.701 50 HG2 LYS 11 1HG LYS 11 -11.552 11.081 -0.983 51 HG3 LYS 11 2HG LYS 11 -9.923 10.982 -0.311 52 HD2 LYS 11 1HD LYS 11 -9.374 13.123 -0.982 53 HD3 LYS 11 2HD LYS 11 -10.585 13.142 -2.267 54 HE2 LYS 11 1HE LYS 11 -11.439 14.580 -0.627 55 HE3 LYS 11 2HE LYS 11 -12.319 13.071 -0.396 56 HZ1 LYS 11 3HZ LYS 11 -11.485 14.134 1.682 57 HZ2 LYS 11 1HZ LYS 11 -9.908 13.807 1.166 58 HZ3 LYS 11 2HZ LYS 11 -10.979 12.534 1.467 59 HA PRO 12 HA PRO 12 -9.664 9.956 -7.475 60 HB2 PRO 12 1HB PRO 12 -7.376 11.368 -7.852 61 HB3 PRO 12 2HB PRO 12 -8.983 12.060 -8.101 62 HG2 PRO 12 1HG PRO 12 -7.157 12.313 -5.742 63 HG3 PRO 12 2HG PRO 12 -8.134 13.560 -6.540 64 HD2 PRO 12 1HD PRO 12 -8.904 12.355 -4.240 65 HD3 PRO 12 2HD PRO 12 -10.066 12.914 -5.460 66 H TYR 13 H TYR 13 -7.686 9.996 -4.613 67 HA TYR 13 HA TYR 13 -5.789 8.086 -5.735 68 HB2 TYR 13 1HB TYR 13 -5.877 9.257 -2.948 69 HB3 TYR 13 2HB TYR 13 -4.541 8.374 -3.677 70 HD1 TYR 13 HD1 TYR 13 -3.199 9.418 -5.472 71 HD2 TYR 13 HD2 TYR 13 -6.228 11.579 -3.408 72 HE1 TYR 13 HE1 TYR 13 -2.251 11.530 -6.304 73 HE2 TYR 13 HE2 TYR 13 -5.290 13.696 -4.235 74 HH TYR 13 HH TYR 13 -3.830 14.364 -6.343 75 H LYS 14 H LYS 14 -6.258 6.001 -5.692 76 HA LYS 14 HA LYS 14 -7.331 4.803 -3.272 77 HB2 LYS 14 1HB LYS 14 -9.333 5.382 -4.595 78 HB3 LYS 14 2HB LYS 14 -8.699 4.452 -5.946 79 HG2 LYS 14 1HG LYS 14 -8.669 2.479 -4.291 80 HG3 LYS 14 2HG LYS 14 -9.752 3.480 -3.321 81 HD2 LYS 14 1HD LYS 14 -11.303 2.361 -4.561 82 HD3 LYS 14 2HD LYS 14 -11.003 3.719 -5.648 83 HE2 LYS 14 1HE LYS 14 -9.476 1.136 -5.835 84 HE3 LYS 14 2HE LYS 14 -11.005 1.389 -6.675 85 HZ1 LYS 14 3HZ LYS 14 -8.408 2.699 -7.122 86 HZ2 LYS 14 1HZ LYS 14 -9.836 3.500 -7.552 87 HZ3 LYS 14 2HZ LYS 14 -9.463 2.004 -8.247 88 H CYS 15 H CYS 15 -6.931 2.571 -3.102 89 HA CYS 15 HA CYS 15 -4.677 1.674 -4.672 90 HB2 CYS 15 1HB CYS 15 -4.770 1.325 -2.221 91 HB3 CYS 15 2HB CYS 15 -6.161 0.269 -2.441 92 H ASN 16 H ASN 16 -4.776 0.414 -6.405 93 HA ASN 16 HA ASN 16 -7.332 -0.685 -7.228 94 HB2 ASN 16 1HB ASN 16 -4.640 -0.491 -8.581 95 HB3 ASN 16 2HB ASN 16 -6.012 -1.327 -9.303 96 HD21 ASN 16 1HD2 ASN 16 -7.105 -0.161 -10.691 97 HD22 ASN 16 2HD2 ASN 16 -7.294 1.556 -10.662 98 H GLU 17 H GLU 17 -5.505 -1.779 -5.001 99 HA GLU 17 HA GLU 17 -5.219 -4.523 -6.016 100 HB2 GLU 17 1HB GLU 17 -4.101 -3.436 -3.435 101 HB3 GLU 17 2HB GLU 17 -3.659 -4.926 -4.257 102 HG2 GLU 17 1HG GLU 17 -3.101 -2.122 -5.194 103 HG3 GLU 17 2HG GLU 17 -1.933 -3.279 -4.558 104 H CYS 18 H CYS 18 -6.132 -2.878 -2.982 105 HA CYS 18 HA CYS 18 -7.937 -5.113 -2.387 106 HB2 CYS 18 1HB CYS 18 -7.999 -4.129 -0.089 107 HB3 CYS 18 2HB CYS 18 -6.392 -4.631 -0.603 108 H GLY 19 H GLY 19 -7.878 -1.551 -2.370 109 HA2 GLY 19 1HA GLY 19 -9.827 -0.554 -3.610 110 HA3 GLY 19 2HA GLY 19 -10.822 -1.611 -2.620 111 H LYS 20 H LYS 20 -7.993 0.132 -1.475 112 HA LYS 20 HA LYS 20 -9.721 1.551 0.421 113 HB2 LYS 20 1HB LYS 20 -6.771 0.932 0.403 114 HB3 LYS 20 2HB LYS 20 -7.483 2.070 1.539 115 HG2 LYS 20 1HG LYS 20 -9.027 0.206 2.250 116 HG3 LYS 20 2HG LYS 20 -8.010 -0.878 1.298 117 HD2 LYS 20 1HD LYS 20 -6.147 -0.519 2.676 118 HD3 LYS 20 2HD LYS 20 -6.849 0.932 3.394 119 HE2 LYS 20 1HE LYS 20 -8.203 -1.712 3.729 120 HE3 LYS 20 2HE LYS 20 -6.817 -1.299 4.737 121 HZ1 LYS 20 3HZ LYS 20 -8.755 -0.645 5.898 122 HZ2 LYS 20 1HZ LYS 20 -9.401 0.142 4.547 123 HZ3 LYS 20 2HZ LYS 20 -8.043 0.779 5.327 124 H VAL 21 H VAL 21 -9.984 3.702 0.376 125 HA VAL 21 HA VAL 21 -8.623 5.191 -1.746 126 HB VAL 21 HB VAL 21 -10.947 6.120 -0.060 127 HG11 VAL 21 1HG1 VAL 21 -11.296 7.725 -1.844 128 HG12 VAL 21 2HG1 VAL 21 -9.656 7.871 -1.210 129 HG13 VAL 21 3HG1 VAL 21 -9.939 7.051 -2.746 130 HG21 VAL 21 3HG2 VAL 21 -12.431 5.395 -1.793 131 HG22 VAL 21 1HG2 VAL 21 -11.080 4.881 -2.804 132 HG23 VAL 21 2HG2 VAL 21 -11.444 4.015 -1.311 133 H PHE 22 H PHE 22 -7.789 7.321 -1.337 134 HA PHE 22 HA PHE 22 -7.233 7.997 1.447 135 HB2 PHE 22 1HB PHE 22 -5.002 7.836 -0.583 136 HB3 PHE 22 2HB PHE 22 -4.861 8.159 1.142 137 HD1 PHE 22 HD1 PHE 22 -5.048 6.369 2.763 138 HD2 PHE 22 HD2 PHE 22 -5.340 5.599 -1.413 139 HE1 PHE 22 HE1 PHE 22 -4.727 3.967 3.187 140 HE2 PHE 22 HE2 PHE 22 -5.020 3.196 -0.996 141 HZ PHE 22 HZ PHE 22 -4.714 2.376 1.307 142 H THR 23 H THR 23 -6.363 10.178 1.699 143 HA THR 23 HA THR 23 -7.557 11.979 -0.243 144 HB THR 23 HB THR 23 -7.987 12.403 2.122 145 HG1 THR 23 HG1 THR 23 -6.532 14.267 0.596 146 HG21 THR 23 3HG2 THR 23 -5.334 13.420 2.778 147 HG22 THR 23 1HG2 THR 23 -5.355 11.678 2.509 148 HG23 THR 23 2HG2 THR 23 -6.416 12.396 3.721 149 H GLN 24 H GLN 24 -4.461 10.765 0.565 150 HA GLN 24 HA GLN 24 -3.244 12.628 -1.343 151 HB2 GLN 24 1HB GLN 24 -2.044 11.887 1.331 152 HB3 GLN 24 2HB GLN 24 -1.247 12.837 0.084 153 HG2 GLN 24 1HG GLN 24 -3.763 13.621 1.537 154 HG3 GLN 24 2HG GLN 24 -2.145 14.230 1.878 155 HE21 GLN 24 1HE2 GLN 24 -1.023 15.104 -0.163 156 HE22 GLN 24 2HE2 GLN 24 -1.981 16.156 -1.143 157 H ASN 25 H ASN 25 -1.627 11.770 -2.610 158 HA ASN 25 HA ASN 25 -1.674 9.024 -3.119 159 HB2 ASN 25 1HB ASN 25 -0.905 10.930 -4.652 160 HB3 ASN 25 2HB ASN 25 0.649 10.808 -3.832 161 HD21 ASN 25 1HD2 ASN 25 1.641 10.216 -5.777 162 HD22 ASN 25 2HD2 ASN 25 1.469 8.628 -6.433 163 H SER 26 H SER 26 0.863 10.962 -1.535 164 HA SER 26 HA SER 26 2.787 9.203 -0.965 165 HB2 SER 26 1HB SER 26 1.527 11.165 0.959 166 HB3 SER 26 2HB SER 26 3.031 10.309 1.297 167 HG SER 26 HG SER 26 4.052 11.484 -0.166 168 H HIS 27 H HIS 27 -0.203 9.447 0.953 169 HA HIS 27 HA HIS 27 0.361 7.305 2.683 170 HB2 HIS 27 1HB HIS 27 -2.338 8.352 1.802 171 HB3 HIS 27 2HB HIS 27 -2.037 7.339 3.212 172 HD1 HIS 27 HD1 HIS 27 -3.332 10.155 3.430 173 HD2 HIS 27 HD2 HIS 27 0.712 9.355 3.953 174 HE1 HIS 27 HE1 HIS 27 -2.451 12.040 4.842 175 H LEU 28 H LEU 28 -1.300 7.438 -0.432 176 HA LEU 28 HA LEU 28 -2.199 4.765 -0.460 177 HB2 LEU 28 1HB LEU 28 -3.221 6.201 -1.988 178 HB3 LEU 28 2HB LEU 28 -1.679 6.811 -2.585 179 HG LEU 28 HG LEU 28 -1.280 4.690 -3.732 180 HD11 LEU 28 1HD1 LEU 28 -3.373 3.782 -2.018 181 HD12 LEU 28 2HD1 LEU 28 -2.325 2.848 -3.084 182 HD13 LEU 28 3HD1 LEU 28 -3.839 3.513 -3.697 183 HD21 LEU 28 3HD2 LEU 28 -2.645 6.635 -4.711 184 HD22 LEU 28 1HD2 LEU 28 -4.043 5.585 -4.476 185 HD23 LEU 28 2HD2 LEU 28 -2.721 5.071 -5.524 186 H ALA 29 H ALA 29 0.667 6.275 -1.939 187 HA ALA 29 HA ALA 29 1.783 4.031 -3.112 188 HB1 ALA 29 3HB ALA 29 3.584 6.007 -1.799 189 HB2 ALA 29 1HB ALA 29 3.691 5.269 -3.397 190 HB3 ALA 29 2HB ALA 29 2.517 6.550 -3.093 191 H ARG 30 H ARG 30 2.391 5.298 0.164 192 HA ARG 30 HA ARG 30 4.147 3.255 0.962 193 HB2 ARG 30 1HB ARG 30 3.776 4.039 3.226 194 HB3 ARG 30 2HB ARG 30 3.906 5.416 2.139 195 HG2 ARG 30 1HG ARG 30 1.549 5.774 2.191 196 HG3 ARG 30 2HG ARG 30 1.287 4.263 3.064 197 HD2 ARG 30 1HD ARG 30 3.073 6.334 4.250 198 HD3 ARG 30 2HD ARG 30 1.327 6.568 4.325 199 HE ARG 30 HE ARG 30 1.585 4.075 5.264 200 HH11 ARG 30 1HH1 ARG 30 3.275 7.021 6.031 201 HH12 ARG 30 2HH1 ARG 30 3.586 6.568 7.674 202 HH21 ARG 30 1HH2 ARG 30 1.989 3.468 7.425 203 HH22 ARG 30 2HH2 ARG 30 2.855 4.546 8.466 204 H HIS 31 H HIS 31 0.647 3.499 1.009 205 HA HIS 31 HA HIS 31 0.113 1.306 2.691 206 HB2 HIS 31 1HB HIS 31 -1.692 2.767 2.287 207 HB3 HIS 31 2HB HIS 31 -1.477 2.689 0.541 208 HD1 HIS 31 HD1 HIS 31 -2.541 0.414 3.393 209 HD2 HIS 31 HD2 HIS 31 -3.120 0.916 -0.691 210 HE1 HIS 31 HE1 HIS 31 -4.291 -1.274 2.749 211 H ARG 32 H ARG 32 0.473 1.543 -0.828 212 HA ARG 32 HA ARG 32 -0.257 -0.945 -1.658 213 HB2 ARG 32 1HB ARG 32 2.191 0.578 -2.572 214 HB3 ARG 32 2HB ARG 32 1.411 -0.725 -3.457 215 HG2 ARG 32 1HG ARG 32 -0.135 1.714 -2.687 216 HG3 ARG 32 2HG ARG 32 0.914 1.722 -4.106 217 HD2 ARG 32 1HD ARG 32 -1.348 -0.204 -3.585 218 HD3 ARG 32 2HD ARG 32 -1.391 1.163 -4.698 219 HE ARG 32 HE ARG 32 -0.090 -1.386 -5.114 220 HH11 ARG 32 1HH1 ARG 32 -0.379 1.936 -6.114 221 HH12 ARG 32 2HH1 ARG 32 0.258 1.650 -7.700 222 HH21 ARG 32 1HH2 ARG 32 0.749 -1.776 -7.199 223 HH22 ARG 32 2HH2 ARG 32 0.898 -0.462 -8.316 224 H ARG 33 H ARG 33 2.444 -0.121 0.334 225 HA ARG 33 HA ARG 33 4.146 -2.279 -0.074 226 HB2 ARG 33 1HB ARG 33 3.541 -0.625 2.368 227 HB3 ARG 33 2HB ARG 33 4.737 -1.914 2.400 228 HG2 ARG 33 1HG ARG 33 5.878 -0.760 0.481 229 HG3 ARG 33 2HG ARG 33 4.779 0.595 0.747 230 HD2 ARG 33 1HD ARG 33 6.695 1.171 1.951 231 HD3 ARG 33 2HD ARG 33 5.594 0.534 3.173 232 HE ARG 33 HE ARG 33 7.446 -1.384 2.045 233 HH11 ARG 33 1HH1 ARG 33 6.797 0.898 4.592 234 HH12 ARG 33 2HH1 ARG 33 7.925 0.184 5.697 235 HH21 ARG 33 1HH2 ARG 33 8.934 -2.333 3.489 236 HH22 ARG 33 2HH2 ARG 33 9.141 -1.653 5.068 237 H VAL 34 H VAL 34 1.348 -2.002 2.091 238 HA VAL 34 HA VAL 34 1.453 -4.315 3.511 239 HB VAL 34 HB VAL 34 -1.016 -4.372 3.485 240 HG11 VAL 34 1HG1 VAL 34 0.623 -2.053 4.141 241 HG12 VAL 34 2HG1 VAL 34 -1.083 -1.661 3.921 242 HG13 VAL 34 3HG1 VAL 34 -0.603 -2.882 5.099 243 HG21 VAL 34 3HG2 VAL 34 -0.690 -3.156 0.967 244 HG22 VAL 34 1HG2 VAL 34 -2.197 -3.577 1.780 245 HG23 VAL 34 2HG2 VAL 34 -1.497 -1.973 1.996 246 H HIS 35 H HIS 35 1.053 -4.016 0.101 247 HA HIS 35 HA HIS 35 0.260 -6.827 -0.153 248 HB2 HIS 35 1HB HIS 35 0.441 -4.665 -2.263 249 HB3 HIS 35 2HB HIS 35 -0.161 -6.300 -2.517 250 HD1 HIS 35 HD1 HIS 35 -2.392 -6.900 -1.092 251 HD2 HIS 35 HD2 HIS 35 -1.454 -2.873 -1.492 252 HE1 HIS 35 HE1 HIS 35 -4.506 -5.659 -0.534 253 H THR 36 H THR 36 2.643 -4.557 -1.523 254 HA THR 36 HA THR 36 4.217 -6.073 -3.050 255 HB THR 36 HB THR 36 6.197 -4.833 -2.277 256 HG1 THR 36 HG1 THR 36 6.132 -3.625 -0.437 257 HG21 THR 36 3HG2 THR 36 4.949 -2.473 -2.306 258 HG22 THR 36 1HG2 THR 36 3.611 -3.490 -2.838 259 HG23 THR 36 2HG2 THR 36 5.119 -3.469 -3.752 260 H GLY 37 H GLY 37 4.530 -8.211 -2.724 261 HA2 GLY 37 1HA GLY 37 5.762 -10.013 -1.923 262 HA3 GLY 37 2HA GLY 37 6.372 -8.986 -0.633 263 H GLY 38 H GLY 38 5.892 -9.884 1.258 264 HA2 GLY 38 1HA GLY 38 4.441 -10.415 3.014 265 HA3 GLY 38 2HA GLY 38 3.108 -10.459 1.870 266 H LYS 39 H LYS 39 2.925 -12.343 0.476 267 HA LYS 39 HA LYS 39 4.088 -14.746 1.726 268 HB2 LYS 39 1HB LYS 39 1.357 -14.302 0.523 269 HB3 LYS 39 2HB LYS 39 2.002 -15.906 0.846 270 HG2 LYS 39 1HG LYS 39 0.750 -15.505 2.730 271 HG3 LYS 39 2HG LYS 39 2.357 -14.996 3.252 272 HD2 LYS 39 1HD LYS 39 1.129 -13.198 3.954 273 HD3 LYS 39 2HD LYS 39 1.537 -12.664 2.322 274 HE2 LYS 39 1HE LYS 39 -0.739 -12.248 2.439 275 HE3 LYS 39 2HE LYS 39 -0.676 -13.822 1.649 276 HZ1 LYS 39 3HZ LYS 39 -0.752 -14.153 4.452 277 HZ2 LYS 39 1HZ LYS 39 -1.854 -14.695 3.289 278 HZ3 LYS 39 2HZ LYS 39 -2.031 -13.157 3.969 279 HA PRO 40 HA PRO 40 5.815 -15.886 -2.146 280 HB2 PRO 40 1HB PRO 40 5.679 -18.594 -2.000 281 HB3 PRO 40 2HB PRO 40 6.818 -17.636 -1.046 282 HG2 PRO 40 1HG PRO 40 4.185 -18.808 -0.236 283 HG3 PRO 40 2HG PRO 40 5.716 -18.772 0.658 284 HD2 PRO 40 1HD PRO 40 3.693 -17.045 1.164 285 HD3 PRO 40 2HD PRO 40 5.400 -16.599 1.360 286 H SER 41 H SER 41 2.580 -16.245 -1.475 287 HA SER 41 HA SER 41 1.972 -17.536 -4.041 288 HB2 SER 41 1HB SER 41 0.784 -18.582 -2.262 289 HB3 SER 41 2HB SER 41 0.306 -17.031 -1.573 290 HG SER 41 HG SER 41 -0.950 -16.698 -3.488 291 H GLY 42 H GLY 42 0.636 -14.861 -2.082 292 HA2 GLY 42 1HA GLY 42 -0.509 -12.972 -2.781 293 HA3 GLY 42 2HA GLY 42 0.962 -12.741 -3.714 294 HA PRO 43 HA PRO 43 -2.375 -14.816 -6.581 295 HB2 PRO 43 1HB PRO 43 -4.939 -14.492 -5.748 296 HB3 PRO 43 2HB PRO 43 -3.962 -15.903 -5.323 297 HG2 PRO 43 1HG PRO 43 -4.551 -13.452 -3.709 298 HG3 PRO 43 2HG PRO 43 -4.531 -15.150 -3.198 299 HD2 PRO 43 1HD PRO 43 -2.472 -13.459 -2.715 300 HD3 PRO 43 2HD PRO 43 -2.234 -15.195 -3.002 301 H SER 44 H SER 44 -3.740 -12.074 -4.743 302 HA SER 44 HA SER 44 -4.784 -10.168 -5.519 303 HB2 SER 44 1HB SER 44 -2.213 -9.823 -5.466 304 HB3 SER 44 2HB SER 44 -2.325 -9.864 -7.225 305 HG SER 44 HG SER 44 -3.074 -7.910 -7.175 306 H SER 45 H SER 45 -5.726 -12.349 -6.969 307 HA SER 45 HA SER 45 -5.723 -11.491 -9.768 308 HB2 SER 45 1HB SER 45 -5.452 -13.964 -8.861 309 HB3 SER 45 2HB SER 45 -7.215 -13.908 -8.835 310 HG SER 45 HG SER 45 -5.883 -14.543 -10.869 311 H GLY 46 H GLY 46 -7.139 -9.880 -10.098 312 HA2 GLY 46 1HA GLY 46 -9.941 -10.415 -9.829 313 HA3 GLY 46 2HA GLY 46 -9.385 -9.215 -8.672 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -22.317 -13.324 -0.315 2 HA2 GLY 1 1HA GLY 1 -22.854 -11.307 -1.377 3 HA3 GLY 1 2HA GLY 1 -24.544 -11.789 -1.389 4 H SER 2 H SER 2 -22.005 -11.053 1.007 5 HA SER 2 HA SER 2 -24.046 -9.673 2.610 6 HB2 SER 2 1HB SER 2 -22.505 -9.937 4.506 7 HB3 SER 2 2HB SER 2 -22.858 -11.496 3.761 8 HG SER 2 HG SER 2 -20.830 -11.018 2.511 9 H SER 3 H SER 3 -23.208 -7.760 3.867 10 HA SER 3 HA SER 3 -20.972 -6.302 2.874 11 HB2 SER 3 1HB SER 3 -22.194 -4.453 1.816 12 HB3 SER 3 2HB SER 3 -22.494 -5.969 0.967 13 HG SER 3 HG SER 3 -24.459 -6.110 2.237 14 H GLY 4 H GLY 4 -20.539 -4.432 4.083 15 HA2 GLY 4 1HA GLY 4 -22.435 -3.459 6.023 16 HA3 GLY 4 2HA GLY 4 -21.137 -4.406 6.735 17 H SER 5 H SER 5 -21.113 -2.091 4.038 18 HA SER 5 HA SER 5 -19.705 -0.116 5.594 19 HB2 SER 5 1HB SER 5 -18.032 -1.963 4.728 20 HB3 SER 5 2HB SER 5 -18.183 -1.086 3.205 21 HG SER 5 HG SER 5 -16.948 -0.349 5.563 22 H SER 6 H SER 6 -20.424 1.785 4.923 23 HA SER 6 HA SER 6 -21.709 2.003 2.324 24 HB2 SER 6 1HB SER 6 -22.534 4.155 3.125 25 HB3 SER 6 2HB SER 6 -22.821 2.914 4.345 26 HG SER 6 HG SER 6 -20.708 3.688 5.228 27 H GLY 7 H GLY 7 -21.015 3.241 0.643 28 HA2 GLY 7 1HA GLY 7 -18.227 4.013 0.669 29 HA3 GLY 7 2HA GLY 7 -19.312 4.058 -0.713 30 H THR 8 H THR 8 -18.067 5.802 2.023 31 HA THR 8 HA THR 8 -19.516 8.212 1.149 32 HB THR 8 HB THR 8 -19.960 7.729 3.465 33 HG1 THR 8 HG1 THR 8 -19.453 9.715 4.225 34 HG21 THR 8 3HG2 THR 8 -17.034 7.252 3.556 35 HG22 THR 8 1HG2 THR 8 -18.344 6.410 4.382 36 HG23 THR 8 2HG2 THR 8 -17.777 7.966 4.987 37 H GLY 9 H GLY 9 -16.412 6.751 1.428 38 HA2 GLY 9 1HA GLY 9 -14.907 9.207 1.341 39 HA3 GLY 9 2HA GLY 9 -14.265 7.580 1.162 40 H GLU 10 H GLU 10 -14.747 10.442 -0.401 41 HA GLU 10 HA GLU 10 -14.678 9.128 -3.039 42 HB2 GLU 10 1HB GLU 10 -15.752 11.102 -3.987 43 HB3 GLU 10 2HB GLU 10 -16.752 10.404 -2.721 44 HG2 GLU 10 1HG GLU 10 -15.596 12.140 -1.189 45 HG3 GLU 10 2HG GLU 10 -15.186 12.945 -2.703 46 H LYS 11 H LYS 11 -12.624 9.145 -3.687 47 HA LYS 11 HA LYS 11 -11.263 11.670 -4.005 48 HB2 LYS 11 1HB LYS 11 -10.016 9.497 -2.311 49 HB3 LYS 11 2HB LYS 11 -9.230 10.989 -2.812 50 HG2 LYS 11 1HG LYS 11 -11.695 10.860 -1.089 51 HG3 LYS 11 2HG LYS 11 -10.047 11.021 -0.477 52 HD2 LYS 11 1HD LYS 11 -11.189 12.948 -2.480 53 HD3 LYS 11 2HD LYS 11 -11.430 13.160 -0.744 54 HE2 LYS 11 1HE LYS 11 -8.964 13.098 -0.453 55 HE3 LYS 11 2HE LYS 11 -8.795 13.033 -2.207 56 HZ1 LYS 11 3HZ LYS 11 -9.070 15.216 -2.341 57 HZ2 LYS 11 1HZ LYS 11 -8.977 15.292 -0.653 58 HZ3 LYS 11 2HZ LYS 11 -10.483 15.179 -1.413 59 HA PRO 12 HA PRO 12 -9.675 9.658 -7.570 60 HB2 PRO 12 1HB PRO 12 -7.346 11.006 -7.930 61 HB3 PRO 12 2HB PRO 12 -8.930 11.722 -8.252 62 HG2 PRO 12 1HG PRO 12 -7.168 12.025 -5.851 63 HG3 PRO 12 2HG PRO 12 -8.094 13.261 -6.723 64 HD2 PRO 12 1HD PRO 12 -8.956 12.160 -4.404 65 HD3 PRO 12 2HD PRO 12 -10.070 12.697 -5.678 66 H TYR 13 H TYR 13 -7.718 9.815 -4.681 67 HA TYR 13 HA TYR 13 -5.802 7.871 -5.653 68 HB2 TYR 13 1HB TYR 13 -6.090 8.906 -2.832 69 HB3 TYR 13 2HB TYR 13 -4.670 8.170 -3.567 70 HD1 TYR 13 HD2 TYR 13 -6.702 11.215 -3.336 71 HD2 TYR 13 HD1 TYR 13 -3.221 9.445 -5.027 72 HE1 TYR 13 HE2 TYR 13 -5.882 13.446 -3.969 73 HE2 TYR 13 HE1 TYR 13 -2.392 11.672 -5.663 74 HH TYR 13 HH TYR 13 -4.205 14.612 -4.842 75 H LYS 14 H LYS 14 -6.654 5.887 -5.911 76 HA LYS 14 HA LYS 14 -7.823 4.615 -3.535 77 HB2 LYS 14 1HB LYS 14 -9.718 5.079 -4.913 78 HB3 LYS 14 2HB LYS 14 -8.886 4.517 -6.357 79 HG2 LYS 14 1HG LYS 14 -10.242 2.732 -5.920 80 HG3 LYS 14 2HG LYS 14 -8.784 2.252 -5.049 81 HD2 LYS 14 1HD LYS 14 -9.712 2.745 -2.973 82 HD3 LYS 14 2HD LYS 14 -10.942 3.803 -3.667 83 HE2 LYS 14 1HE LYS 14 -10.903 0.882 -4.319 84 HE3 LYS 14 2HE LYS 14 -11.620 1.451 -2.812 85 HZ1 LYS 14 3HZ LYS 14 -13.282 1.262 -4.542 86 HZ2 LYS 14 1HZ LYS 14 -12.408 2.309 -5.544 87 HZ3 LYS 14 2HZ LYS 14 -13.085 2.885 -4.105 88 H CYS 15 H CYS 15 -7.410 2.402 -3.308 89 HA CYS 15 HA CYS 15 -5.064 1.488 -4.776 90 HB2 CYS 15 1HB CYS 15 -5.044 1.362 -2.320 91 HB3 CYS 15 2HB CYS 15 -6.451 0.305 -2.361 92 H ASN 16 H ASN 16 -5.178 0.089 -6.396 93 HA ASN 16 HA ASN 16 -7.713 -1.198 -6.998 94 HB2 ASN 16 1HB ASN 16 -5.135 -0.827 -8.501 95 HB3 ASN 16 2HB ASN 16 -6.348 -1.974 -9.061 96 HD21 ASN 16 1HD2 ASN 16 -8.166 -1.244 -10.037 97 HD22 ASN 16 2HD2 ASN 16 -8.468 0.421 -10.389 98 H GLU 17 H GLU 17 -5.757 -2.016 -4.786 99 HA GLU 17 HA GLU 17 -5.295 -4.796 -5.617 100 HB2 GLU 17 1HB GLU 17 -4.235 -3.454 -3.132 101 HB3 GLU 17 2HB GLU 17 -3.696 -4.965 -3.851 102 HG2 GLU 17 1HG GLU 17 -3.327 -2.194 -4.958 103 HG3 GLU 17 2HG GLU 17 -2.082 -3.263 -4.313 104 H CYS 18 H CYS 18 -6.571 -2.880 -2.908 105 HA CYS 18 HA CYS 18 -8.191 -5.219 -2.136 106 HB2 CYS 18 1HB CYS 18 -8.191 -4.267 0.165 107 HB3 CYS 18 2HB CYS 18 -6.586 -4.725 -0.397 108 H GLY 19 H GLY 19 -8.123 -1.658 -2.135 109 HA2 GLY 19 1HA GLY 19 -10.130 -0.699 -3.342 110 HA3 GLY 19 2HA GLY 19 -11.074 -1.703 -2.252 111 H LYS 20 H LYS 20 -8.171 0.065 -1.352 112 HA LYS 20 HA LYS 20 -9.785 1.593 0.563 113 HB2 LYS 20 1HB LYS 20 -6.918 0.733 0.475 114 HB3 LYS 20 2HB LYS 20 -7.369 2.134 1.437 115 HG2 LYS 20 1HG LYS 20 -9.174 0.514 2.411 116 HG3 LYS 20 2HG LYS 20 -8.077 -0.734 1.814 117 HD2 LYS 20 1HD LYS 20 -6.300 0.054 3.175 118 HD3 LYS 20 2HD LYS 20 -7.171 1.538 3.571 119 HE2 LYS 20 1HE LYS 20 -8.654 0.427 4.991 120 HE3 LYS 20 2HE LYS 20 -8.286 -1.150 4.293 121 HZ1 LYS 20 3HZ LYS 20 -5.917 -0.104 5.329 122 HZ2 LYS 20 1HZ LYS 20 -6.792 -1.444 5.878 123 HZ3 LYS 20 2HZ LYS 20 -7.107 0.090 6.516 124 H VAL 21 H VAL 21 -9.768 3.805 0.638 125 HA VAL 21 HA VAL 21 -8.492 5.153 -1.648 126 HB VAL 21 HB VAL 21 -10.761 6.281 -0.025 127 HG11 VAL 21 1HG1 VAL 21 -11.107 7.708 -1.912 128 HG12 VAL 21 2HG1 VAL 21 -9.393 7.769 -1.495 129 HG13 VAL 21 3HG1 VAL 21 -9.934 6.810 -2.874 130 HG21 VAL 21 3HG2 VAL 21 -10.878 3.983 -1.671 131 HG22 VAL 21 1HG2 VAL 21 -12.212 4.862 -0.923 132 HG23 VAL 21 2HG2 VAL 21 -11.666 5.298 -2.542 133 H PHE 22 H PHE 22 -7.576 7.246 -1.326 134 HA PHE 22 HA PHE 22 -7.014 8.002 1.446 135 HB2 PHE 22 1HB PHE 22 -4.866 7.692 -0.663 136 HB3 PHE 22 2HB PHE 22 -4.627 8.262 0.986 137 HD1 PHE 22 HD2 PHE 22 -5.328 5.346 -1.117 138 HD2 PHE 22 HD1 PHE 22 -4.588 6.737 2.837 139 HE1 PHE 22 HE2 PHE 22 -4.951 3.030 -0.377 140 HE2 PHE 22 HE1 PHE 22 -4.210 4.423 3.584 141 HZ PHE 22 HZ PHE 22 -4.392 2.566 1.976 142 H THR 23 H THR 23 -6.005 10.183 1.589 143 HA THR 23 HA THR 23 -7.327 11.966 -0.291 144 HB THR 23 HB THR 23 -7.609 12.482 2.057 145 HG1 THR 23 HG1 THR 23 -7.169 14.205 0.385 146 HG21 THR 23 3HG2 THR 23 -5.560 13.295 3.339 147 HG22 THR 23 1HG2 THR 23 -4.599 12.488 2.100 148 HG23 THR 23 2HG2 THR 23 -5.708 11.553 3.103 149 H GLN 24 H GLN 24 -4.090 11.042 0.695 150 HA GLN 24 HA GLN 24 -3.015 12.761 -1.443 151 HB2 GLN 24 1HB GLN 24 -1.778 12.043 1.217 152 HB3 GLN 24 2HB GLN 24 -0.892 12.811 -0.095 153 HG2 GLN 24 1HG GLN 24 -2.159 14.783 0.061 154 HG3 GLN 24 2HG GLN 24 -3.386 14.009 1.063 155 HE21 GLN 24 1HE2 GLN 24 -2.195 16.388 1.786 156 HE22 GLN 24 2HE2 GLN 24 -1.212 16.132 3.183 157 H ASN 25 H ASN 25 -1.350 11.923 -2.721 158 HA ASN 25 HA ASN 25 -1.509 9.211 -3.359 159 HB2 ASN 25 1HB ASN 25 -0.670 11.057 -4.852 160 HB3 ASN 25 2HB ASN 25 0.841 11.019 -3.947 161 HD21 ASN 25 1HD2 ASN 25 2.258 10.209 -5.341 162 HD22 ASN 25 2HD2 ASN 25 2.089 8.708 -6.180 163 H SER 26 H SER 26 0.868 10.967 -1.406 164 HA SER 26 HA SER 26 2.765 9.052 -0.965 165 HB2 SER 26 1HB SER 26 2.437 11.486 0.024 166 HB3 SER 26 2HB SER 26 1.808 10.596 1.410 167 HG SER 26 HG SER 26 3.863 10.494 1.897 168 H HIS 27 H HIS 27 -0.074 9.548 1.142 169 HA HIS 27 HA HIS 27 0.238 7.361 2.785 170 HB2 HIS 27 1HB HIS 27 -2.440 8.332 1.780 171 HB3 HIS 27 2HB HIS 27 -2.091 7.554 3.321 172 HD1 HIS 27 HD1 HIS 27 -3.347 10.496 2.735 173 HD2 HIS 27 HD2 HIS 27 0.465 9.576 4.108 174 HE1 HIS 27 HE1 HIS 27 -2.549 12.557 3.935 175 H LEU 28 H LEU 28 -1.061 7.492 -0.470 176 HA LEU 28 HA LEU 28 -2.070 4.817 -0.468 177 HB2 LEU 28 1HB LEU 28 -3.055 6.352 -1.980 178 HB3 LEU 28 2HB LEU 28 -1.488 6.805 -2.647 179 HG LEU 28 HG LEU 28 -1.299 4.589 -3.684 180 HD11 LEU 28 1HD1 LEU 28 -3.021 3.702 -1.840 181 HD12 LEU 28 2HD1 LEU 28 -2.756 2.888 -3.381 182 HD13 LEU 28 3HD1 LEU 28 -4.140 3.960 -3.178 183 HD21 LEU 28 3HD2 LEU 28 -3.971 5.720 -4.441 184 HD22 LEU 28 1HD2 LEU 28 -2.724 5.024 -5.476 185 HD23 LEU 28 2HD2 LEU 28 -2.478 6.610 -4.744 186 H ALA 29 H ALA 29 0.906 6.370 -1.570 187 HA ALA 29 HA ALA 29 2.038 4.159 -2.877 188 HB1 ALA 29 3HB ALA 29 4.233 5.450 -2.067 189 HB2 ALA 29 1HB ALA 29 3.222 6.018 -3.396 190 HB3 ALA 29 2HB ALA 29 3.040 6.719 -1.788 191 H ARG 30 H ARG 30 2.392 5.296 0.474 192 HA ARG 30 HA ARG 30 4.137 3.201 1.264 193 HB2 ARG 30 1HB ARG 30 3.929 4.045 3.458 194 HB3 ARG 30 2HB ARG 30 3.798 5.451 2.410 195 HG2 ARG 30 1HG ARG 30 1.271 5.133 2.596 196 HG3 ARG 30 2HG ARG 30 1.638 4.054 3.944 197 HD2 ARG 30 1HD ARG 30 2.818 6.801 3.844 198 HD3 ARG 30 2HD ARG 30 1.160 6.568 4.399 199 HE ARG 30 HE ARG 30 2.441 4.812 5.921 200 HH11 ARG 30 1HH1 ARG 30 3.251 8.101 5.116 201 HH12 ARG 30 2HH1 ARG 30 4.076 8.401 6.609 202 HH21 ARG 30 1HH2 ARG 30 3.525 5.195 7.891 203 HH22 ARG 30 2HH2 ARG 30 4.232 6.747 8.187 204 H HIS 31 H HIS 31 0.684 3.505 1.034 205 HA HIS 31 HA HIS 31 -0.002 1.353 2.757 206 HB2 HIS 31 1HB HIS 31 -1.752 2.853 2.317 207 HB3 HIS 31 2HB HIS 31 -1.454 2.837 0.582 208 HD1 HIS 31 HD1 HIS 31 -2.757 0.517 3.291 209 HD2 HIS 31 HD2 HIS 31 -3.053 1.135 -0.807 210 HE1 HIS 31 HE1 HIS 31 -4.513 -1.096 2.493 211 H ARG 32 H ARG 32 0.117 1.577 -0.802 212 HA ARG 32 HA ARG 32 -0.534 -0.923 -1.569 213 HB2 ARG 32 1HB ARG 32 1.756 0.758 -2.596 214 HB3 ARG 32 2HB ARG 32 1.172 -0.691 -3.405 215 HG2 ARG 32 1HG ARG 32 -1.104 0.440 -3.453 216 HG3 ARG 32 2HG ARG 32 -0.251 1.917 -2.999 217 HD2 ARG 32 1HD ARG 32 1.242 1.532 -4.990 218 HD3 ARG 32 2HD ARG 32 0.132 0.251 -5.477 219 HE ARG 32 HE ARG 32 -1.082 2.837 -5.012 220 HH11 ARG 32 1HH1 ARG 32 0.326 0.645 -7.321 221 HH12 ARG 32 2HH1 ARG 32 -0.439 1.388 -8.687 222 HH21 ARG 32 1HH2 ARG 32 -2.094 3.824 -6.802 223 HH22 ARG 32 2HH2 ARG 32 -1.814 3.196 -8.391 224 H ARG 33 H ARG 33 2.335 -0.006 0.171 225 HA ARG 33 HA ARG 33 4.062 -2.085 -0.266 226 HB2 ARG 33 1HB ARG 33 3.413 -0.593 2.271 227 HB3 ARG 33 2HB ARG 33 4.697 -1.793 2.194 228 HG2 ARG 33 1HG ARG 33 4.565 0.596 0.375 229 HG3 ARG 33 2HG ARG 33 5.418 0.592 1.920 230 HD2 ARG 33 1HD ARG 33 5.955 -1.260 -0.399 231 HD3 ARG 33 2HD ARG 33 6.929 0.141 0.046 232 HE ARG 33 HE ARG 33 6.596 -1.848 2.121 233 HH11 ARG 33 1HH1 ARG 33 8.543 -0.685 -0.520 234 HH12 ARG 33 2HH1 ARG 33 9.988 -1.467 0.030 235 HH21 ARG 33 1HH2 ARG 33 8.492 -2.883 2.855 236 HH22 ARG 33 2HH2 ARG 33 9.957 -2.717 1.949 237 H VAL 34 H VAL 34 1.284 -2.044 1.940 238 HA VAL 34 HA VAL 34 1.520 -4.396 3.269 239 HB VAL 34 HB VAL 34 -0.899 -4.560 3.352 240 HG11 VAL 34 1HG1 VAL 34 0.350 -2.731 4.573 241 HG12 VAL 34 2HG1 VAL 34 -0.209 -1.632 3.310 242 HG13 VAL 34 3HG1 VAL 34 -1.377 -2.466 4.337 243 HG21 VAL 34 3HG2 VAL 34 -2.297 -3.018 1.991 244 HG22 VAL 34 1HG2 VAL 34 -0.854 -2.584 1.075 245 HG23 VAL 34 2HG2 VAL 34 -1.459 -4.240 1.035 246 H HIS 35 H HIS 35 0.704 -3.981 -0.117 247 HA HIS 35 HA HIS 35 0.218 -6.831 -0.462 248 HB2 HIS 35 1HB HIS 35 0.247 -4.653 -2.559 249 HB3 HIS 35 2HB HIS 35 -0.403 -6.280 -2.735 250 HD1 HIS 35 HD1 HIS 35 -2.631 -6.798 -1.411 251 HD2 HIS 35 HD2 HIS 35 -1.468 -2.809 -1.443 252 HE1 HIS 35 HE1 HIS 35 -4.656 -5.502 -0.675 253 H THR 36 H THR 36 2.610 -6.937 0.366 254 HA THR 36 HA THR 36 4.232 -7.478 -1.988 255 HB THR 36 HB THR 36 6.189 -6.296 -1.188 256 HG1 THR 36 HG1 THR 36 4.499 -5.503 0.966 257 HG21 THR 36 3HG2 THR 36 5.351 -3.937 -1.348 258 HG22 THR 36 1HG2 THR 36 3.710 -4.581 -1.313 259 HG23 THR 36 2HG2 THR 36 4.794 -5.001 -2.640 260 H GLY 37 H GLY 37 5.118 -9.424 -1.766 261 HA2 GLY 37 1HA GLY 37 5.520 -11.464 -0.715 262 HA3 GLY 37 2HA GLY 37 6.718 -10.466 0.096 263 H GLY 38 H GLY 38 3.175 -10.859 0.327 264 HA2 GLY 38 1HA GLY 38 3.543 -11.185 3.242 265 HA3 GLY 38 2HA GLY 38 2.183 -10.325 2.535 266 H LYS 39 H LYS 39 3.647 -13.428 1.621 267 HA LYS 39 HA LYS 39 2.544 -15.375 1.028 268 HB2 LYS 39 1HB LYS 39 3.159 -15.336 3.567 269 HB3 LYS 39 2HB LYS 39 1.418 -15.248 3.805 270 HG2 LYS 39 1HG LYS 39 1.096 -17.340 2.684 271 HG3 LYS 39 2HG LYS 39 2.798 -17.402 2.217 272 HD2 LYS 39 1HD LYS 39 1.940 -17.284 5.095 273 HD3 LYS 39 2HD LYS 39 2.072 -18.812 4.222 274 HE2 LYS 39 1HE LYS 39 4.435 -18.135 3.646 275 HE3 LYS 39 2HE LYS 39 4.248 -16.812 4.796 276 HZ1 LYS 39 3HZ LYS 39 5.189 -18.444 6.085 277 HZ2 LYS 39 1HZ LYS 39 4.377 -19.705 5.302 278 HZ3 LYS 39 2HZ LYS 39 3.546 -18.711 6.389 279 HA PRO 40 HA PRO 40 -1.680 -13.282 0.669 280 HB2 PRO 40 1HB PRO 40 -1.601 -12.852 -2.011 281 HB3 PRO 40 2HB PRO 40 -1.011 -11.675 -0.831 282 HG2 PRO 40 1HG PRO 40 0.529 -13.655 -2.465 283 HG3 PRO 40 2HG PRO 40 0.906 -11.958 -2.116 284 HD2 PRO 40 1HD PRO 40 2.077 -14.012 -0.796 285 HD3 PRO 40 2HD PRO 40 1.752 -12.445 -0.028 286 H SER 41 H SER 41 -0.017 -15.486 -1.573 287 HA SER 41 HA SER 41 -0.800 -17.260 -2.802 288 HB2 SER 41 1HB SER 41 -0.623 -17.956 -0.265 289 HB3 SER 41 2HB SER 41 -2.377 -18.084 -0.394 290 HG SER 41 HG SER 41 -1.348 -19.273 -2.514 291 H GLY 42 H GLY 42 -2.358 -15.010 -3.297 292 HA2 GLY 42 1HA GLY 42 -4.368 -14.394 -4.217 293 HA3 GLY 42 2HA GLY 42 -4.622 -16.109 -4.504 294 HA PRO 43 HA PRO 43 -6.571 -14.991 -0.194 295 HB2 PRO 43 1HB PRO 43 -7.062 -12.349 0.190 296 HB3 PRO 43 2HB PRO 43 -5.561 -13.131 0.699 297 HG2 PRO 43 1HG PRO 43 -6.110 -11.497 -1.749 298 HG3 PRO 43 2HG PRO 43 -4.703 -11.458 -0.670 299 HD2 PRO 43 1HD PRO 43 -4.678 -12.745 -3.052 300 HD3 PRO 43 2HD PRO 43 -3.741 -13.308 -1.653 301 H SER 44 H SER 44 -7.377 -12.657 -2.767 302 HA SER 44 HA SER 44 -10.122 -13.708 -2.749 303 HB2 SER 44 1HB SER 44 -11.003 -11.430 -3.055 304 HB3 SER 44 2HB SER 44 -10.126 -11.573 -1.531 305 HG SER 44 HG SER 44 -9.724 -9.773 -3.315 306 H SER 45 H SER 45 -9.944 -14.851 -4.622 307 HA SER 45 HA SER 45 -8.679 -13.784 -6.964 308 HB2 SER 45 1HB SER 45 -10.106 -16.301 -6.255 309 HB3 SER 45 2HB SER 45 -10.006 -15.874 -7.963 310 HG SER 45 HG SER 45 -7.741 -15.900 -6.269 311 H GLY 46 H GLY 46 -9.558 -12.710 -8.634 312 HA2 GLY 46 1HA GLY 46 -12.167 -12.847 -9.564 313 HA3 GLY 46 2HA GLY 46 -12.146 -11.564 -8.363 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -30.723 -4.317 8.956 2 HA2 GLY 1 1HA GLY 1 -28.700 -4.779 9.937 3 HA3 GLY 1 2HA GLY 1 -28.770 -6.294 9.048 4 H SER 2 H SER 2 -28.343 -2.886 8.092 5 HA SER 2 HA SER 2 -25.629 -3.166 7.373 6 HB2 SER 2 1HB SER 2 -25.862 -3.080 4.909 7 HB3 SER 2 2HB SER 2 -26.494 -4.583 5.581 8 HG SER 2 HG SER 2 -28.418 -4.063 4.906 9 H SER 3 H SER 3 -25.133 -1.181 8.074 10 HA SER 3 HA SER 3 -26.134 1.097 6.590 11 HB2 SER 3 1HB SER 3 -26.596 0.783 9.559 12 HB3 SER 3 2HB SER 3 -26.661 2.341 8.736 13 HG SER 3 HG SER 3 -28.645 1.828 8.305 14 H GLY 4 H GLY 4 -25.042 3.172 7.484 15 HA2 GLY 4 1HA GLY 4 -23.072 3.918 8.810 16 HA3 GLY 4 2HA GLY 4 -22.261 2.480 8.207 17 H SER 5 H SER 5 -24.319 4.756 6.439 18 HA SER 5 HA SER 5 -21.988 5.401 4.752 19 HB2 SER 5 1HB SER 5 -24.874 4.939 4.018 20 HB3 SER 5 2HB SER 5 -23.784 5.831 2.957 21 HG SER 5 HG SER 5 -22.892 3.380 3.929 22 H SER 6 H SER 6 -21.551 7.190 6.170 23 HA SER 6 HA SER 6 -23.035 9.564 5.391 24 HB2 SER 6 1HB SER 6 -24.141 8.759 7.477 25 HB3 SER 6 2HB SER 6 -22.596 8.910 8.314 26 HG SER 6 HG SER 6 -24.176 10.961 7.170 27 H GLY 7 H GLY 7 -21.721 11.265 5.093 28 HA2 GLY 7 1HA GLY 7 -19.842 12.594 5.160 29 HA3 GLY 7 2HA GLY 7 -19.350 11.721 6.603 30 H THR 8 H THR 8 -19.720 11.035 3.121 31 HA THR 8 HA THR 8 -17.107 9.674 3.227 32 HB THR 8 HB THR 8 -18.770 8.052 2.680 33 HG1 THR 8 HG1 THR 8 -17.865 8.678 0.097 34 HG21 THR 8 3HG2 THR 8 -20.098 8.518 0.459 35 HG22 THR 8 1HG2 THR 8 -19.825 10.203 0.900 36 HG23 THR 8 2HG2 THR 8 -20.688 9.131 2.003 37 H GLY 9 H GLY 9 -15.558 10.177 1.731 38 HA2 GLY 9 1HA GLY 9 -16.228 12.363 -0.144 39 HA3 GLY 9 2HA GLY 9 -14.705 12.287 0.731 40 H GLU 10 H GLU 10 -15.770 12.066 -2.228 41 HA GLU 10 HA GLU 10 -14.589 9.560 -3.053 42 HB2 GLU 10 1HB GLU 10 -15.775 11.864 -4.601 43 HB3 GLU 10 2HB GLU 10 -15.102 10.431 -5.364 44 HG2 GLU 10 1HG GLU 10 -16.754 9.138 -3.862 45 HG3 GLU 10 2HG GLU 10 -17.561 10.695 -3.689 46 H LYS 11 H LYS 11 -12.430 9.801 -2.374 47 HA LYS 11 HA LYS 11 -10.826 11.989 -3.340 48 HB2 LYS 11 1HB LYS 11 -10.265 9.491 -1.770 49 HB3 LYS 11 2HB LYS 11 -8.944 10.457 -2.414 50 HG2 LYS 11 1HG LYS 11 -9.216 11.224 -0.232 51 HG3 LYS 11 2HG LYS 11 -10.039 12.431 -1.222 52 HD2 LYS 11 1HD LYS 11 -11.509 12.020 0.560 53 HD3 LYS 11 2HD LYS 11 -12.166 11.085 -0.785 54 HE2 LYS 11 1HE LYS 11 -12.260 9.588 0.985 55 HE3 LYS 11 2HE LYS 11 -10.757 9.147 0.175 56 HZ1 LYS 11 3HZ LYS 11 -10.216 11.133 2.085 57 HZ2 LYS 11 1HZ LYS 11 -9.664 9.534 2.043 58 HZ3 LYS 11 2HZ LYS 11 -11.112 9.908 2.832 59 HA PRO 12 HA PRO 12 -9.655 10.285 -7.225 60 HB2 PRO 12 1HB PRO 12 -7.285 11.563 -7.572 61 HB3 PRO 12 2HB PRO 12 -8.847 12.375 -7.732 62 HG2 PRO 12 1HG PRO 12 -6.955 12.349 -5.412 63 HG3 PRO 12 2HG PRO 12 -7.862 13.708 -6.101 64 HD2 PRO 12 1HD PRO 12 -8.660 12.408 -3.864 65 HD3 PRO 12 2HD PRO 12 -9.808 13.123 -5.013 66 H TYR 13 H TYR 13 -7.612 10.005 -4.422 67 HA TYR 13 HA TYR 13 -5.852 8.076 -5.709 68 HB2 TYR 13 1HB TYR 13 -5.868 8.973 -2.822 69 HB3 TYR 13 2HB TYR 13 -4.577 8.117 -3.659 70 HD1 TYR 13 HD1 TYR 13 -3.283 9.298 -5.446 71 HD2 TYR 13 HD2 TYR 13 -6.052 11.334 -2.938 72 HE1 TYR 13 HE1 TYR 13 -2.255 11.445 -6.064 73 HE2 TYR 13 HE2 TYR 13 -5.032 13.487 -3.550 74 HH TYR 13 HH TYR 13 -2.400 14.071 -4.498 75 H LYS 14 H LYS 14 -6.611 6.080 -5.940 76 HA LYS 14 HA LYS 14 -7.830 4.775 -3.611 77 HB2 LYS 14 1HB LYS 14 -9.738 5.274 -4.917 78 HB3 LYS 14 2HB LYS 14 -8.920 4.856 -6.417 79 HG2 LYS 14 1HG LYS 14 -8.865 2.494 -5.672 80 HG3 LYS 14 2HG LYS 14 -9.812 2.958 -4.257 81 HD2 LYS 14 1HD LYS 14 -11.389 4.003 -6.109 82 HD3 LYS 14 2HD LYS 14 -10.619 2.772 -7.114 83 HE2 LYS 14 1HE LYS 14 -11.225 1.106 -5.315 84 HE3 LYS 14 2HE LYS 14 -12.210 2.375 -4.589 85 HZ1 LYS 14 3HZ LYS 14 -12.825 2.204 -7.322 86 HZ2 LYS 14 1HZ LYS 14 -13.828 1.889 -5.996 87 HZ3 LYS 14 2HZ LYS 14 -12.898 0.646 -6.666 88 H CYS 15 H CYS 15 -7.339 2.618 -3.360 89 HA CYS 15 HA CYS 15 -5.041 1.683 -4.850 90 HB2 CYS 15 1HB CYS 15 -5.171 1.439 -2.385 91 HB3 CYS 15 2HB CYS 15 -6.544 0.354 -2.585 92 H ASN 16 H ASN 16 -5.116 0.367 -6.541 93 HA ASN 16 HA ASN 16 -7.656 -0.844 -7.289 94 HB2 ASN 16 1HB ASN 16 -5.925 0.441 -8.826 95 HB3 ASN 16 2HB ASN 16 -5.184 -1.152 -8.938 96 HD21 ASN 16 1HD2 ASN 16 -5.656 -1.501 -11.059 97 HD22 ASN 16 2HD2 ASN 16 -7.263 -1.719 -11.655 98 H GLU 17 H GLU 17 -5.663 -1.800 -5.128 99 HA GLU 17 HA GLU 17 -5.197 -4.518 -6.128 100 HB2 GLU 17 1HB GLU 17 -4.237 -3.364 -3.512 101 HB3 GLU 17 2HB GLU 17 -3.653 -4.804 -4.334 102 HG2 GLU 17 1HG GLU 17 -3.286 -1.948 -5.196 103 HG3 GLU 17 2HG GLU 17 -2.049 -3.053 -4.600 104 H CYS 18 H CYS 18 -6.464 -2.878 -3.228 105 HA CYS 18 HA CYS 18 -8.076 -5.278 -2.674 106 HB2 CYS 18 1HB CYS 18 -8.238 -4.385 -0.353 107 HB3 CYS 18 2HB CYS 18 -6.589 -4.752 -0.846 108 H GLY 19 H GLY 19 -8.193 -1.726 -2.691 109 HA2 GLY 19 1HA GLY 19 -10.197 -0.851 -3.933 110 HA3 GLY 19 2HA GLY 19 -11.133 -1.925 -2.905 111 H LYS 20 H LYS 20 -8.374 -0.069 -1.792 112 HA LYS 20 HA LYS 20 -10.137 1.321 0.083 113 HB2 LYS 20 1HB LYS 20 -7.227 0.652 0.029 114 HB3 LYS 20 2HB LYS 20 -7.750 2.046 0.966 115 HG2 LYS 20 1HG LYS 20 -9.414 0.477 2.077 116 HG3 LYS 20 2HG LYS 20 -8.495 -0.836 1.338 117 HD2 LYS 20 1HD LYS 20 -7.527 -0.637 3.442 118 HD3 LYS 20 2HD LYS 20 -6.441 0.302 2.416 119 HE2 LYS 20 1HE LYS 20 -6.844 1.563 4.403 120 HE3 LYS 20 2HE LYS 20 -7.707 2.349 3.082 121 HZ1 LYS 20 3HZ LYS 20 -8.741 1.391 5.502 122 HZ2 LYS 20 1HZ LYS 20 -9.425 0.480 4.250 123 HZ3 LYS 20 2HZ LYS 20 -9.565 2.165 4.243 124 H VAL 21 H VAL 21 -9.314 3.618 0.661 125 HA VAL 21 HA VAL 21 -8.466 5.081 -1.734 126 HB VAL 21 HB VAL 21 -10.808 6.001 -0.073 127 HG11 VAL 21 1HG1 VAL 21 -9.483 7.712 -1.290 128 HG12 VAL 21 2HG1 VAL 21 -9.864 6.879 -2.798 129 HG13 VAL 21 3HG1 VAL 21 -11.155 7.598 -1.835 130 HG21 VAL 21 3HG2 VAL 21 -12.314 5.068 -1.549 131 HG22 VAL 21 1HG2 VAL 21 -11.121 4.926 -2.840 132 HG23 VAL 21 2HG2 VAL 21 -11.078 3.812 -1.474 133 H PHE 22 H PHE 22 -7.629 7.194 -1.308 134 HA PHE 22 HA PHE 22 -7.155 7.900 1.481 135 HB2 PHE 22 1HB PHE 22 -4.872 7.600 -0.480 136 HB3 PHE 22 2HB PHE 22 -4.753 8.076 1.211 137 HD1 PHE 22 HD2 PHE 22 -5.628 5.274 -1.038 138 HD2 PHE 22 HD1 PHE 22 -4.595 6.471 2.914 139 HE1 PHE 22 HE2 PHE 22 -5.351 2.914 -0.399 140 HE2 PHE 22 HE1 PHE 22 -4.315 4.113 3.559 141 HZ PHE 22 HZ PHE 22 -4.695 2.331 1.902 142 H THR 23 H THR 23 -6.191 10.068 1.707 143 HA THR 23 HA THR 23 -7.306 11.855 -0.302 144 HB THR 23 HB THR 23 -7.824 12.343 2.027 145 HG1 THR 23 HG1 THR 23 -5.995 14.272 0.995 146 HG21 THR 23 3HG2 THR 23 -5.821 11.393 3.064 147 HG22 THR 23 1HG2 THR 23 -6.077 13.055 3.592 148 HG23 THR 23 2HG2 THR 23 -4.845 12.694 2.384 149 H GLN 24 H GLN 24 -4.190 11.048 1.142 150 HA GLN 24 HA GLN 24 -2.866 12.882 -0.732 151 HB2 GLN 24 1HB GLN 24 -1.919 11.568 1.812 152 HB3 GLN 24 2HB GLN 24 -0.835 12.413 0.716 153 HG2 GLN 24 1HG GLN 24 -2.606 14.345 1.017 154 HG3 GLN 24 2HG GLN 24 -2.926 13.487 2.523 155 HE21 GLN 24 1HE2 GLN 24 -0.205 14.684 0.590 156 HE22 GLN 24 2HE2 GLN 24 0.735 15.227 1.934 157 H ASN 25 H ASN 25 -1.233 12.173 -2.104 158 HA ASN 25 HA ASN 25 -1.532 9.576 -3.163 159 HB2 ASN 25 1HB ASN 25 -0.784 11.473 -4.526 160 HB3 ASN 25 2HB ASN 25 0.700 11.576 -3.585 161 HD21 ASN 25 1HD2 ASN 25 -1.116 9.639 -5.860 162 HD22 ASN 25 2HD2 ASN 25 0.226 8.722 -6.445 163 H SER 26 H SER 26 0.843 11.005 -0.983 164 HA SER 26 HA SER 26 2.746 8.991 -0.940 165 HB2 SER 26 1HB SER 26 1.807 10.867 1.233 166 HB3 SER 26 2HB SER 26 3.175 9.774 1.445 167 HG SER 26 HG SER 26 3.964 11.729 0.730 168 H HIS 27 H HIS 27 -0.047 9.362 1.246 169 HA HIS 27 HA HIS 27 0.249 7.090 2.762 170 HB2 HIS 27 1HB HIS 27 -2.420 8.079 1.752 171 HB3 HIS 27 2HB HIS 27 -2.092 7.227 3.258 172 HD1 HIS 27 HD1 HIS 27 -3.526 9.958 3.244 173 HD2 HIS 27 HD2 HIS 27 0.568 9.461 3.753 174 HE1 HIS 27 HE1 HIS 27 -2.743 12.020 4.451 175 H LEU 28 H LEU 28 -1.330 7.385 -0.401 176 HA LEU 28 HA LEU 28 -2.145 4.680 -0.572 177 HB2 LEU 28 1HB LEU 28 -3.248 6.217 -1.968 178 HB3 LEU 28 2HB LEU 28 -1.731 6.851 -2.603 179 HG LEU 28 HG LEU 28 -1.380 4.771 -3.845 180 HD11 LEU 28 1HD1 LEU 28 -3.790 3.482 -3.893 181 HD12 LEU 28 2HD1 LEU 28 -3.616 3.890 -2.187 182 HD13 LEU 28 3HD1 LEU 28 -2.364 2.952 -3.000 183 HD21 LEU 28 3HD2 LEU 28 -2.662 5.441 -5.578 184 HD22 LEU 28 1HD2 LEU 28 -3.010 6.803 -4.513 185 HD23 LEU 28 2HD2 LEU 28 -4.143 5.456 -4.620 186 H ALA 29 H ALA 29 0.649 6.413 -1.929 187 HA ALA 29 HA ALA 29 1.823 4.283 -3.284 188 HB1 ALA 29 3HB ALA 29 2.880 6.811 -2.100 189 HB2 ALA 29 1HB ALA 29 4.002 5.611 -2.742 190 HB3 ALA 29 2HB ALA 29 2.772 6.319 -3.790 191 H ARG 30 H ARG 30 2.166 5.291 0.093 192 HA ARG 30 HA ARG 30 4.106 3.274 0.711 193 HB2 ARG 30 1HB ARG 30 3.914 4.027 2.987 194 HB3 ARG 30 2HB ARG 30 3.918 5.437 1.936 195 HG2 ARG 30 1HG ARG 30 1.529 5.669 2.165 196 HG3 ARG 30 2HG ARG 30 1.448 4.184 3.114 197 HD2 ARG 30 1HD ARG 30 3.198 6.442 3.998 198 HD3 ARG 30 2HD ARG 30 1.465 6.490 4.318 199 HE ARG 30 HE ARG 30 2.240 4.040 5.216 200 HH11 ARG 30 1HH1 ARG 30 3.264 7.308 5.839 201 HH12 ARG 30 2HH1 ARG 30 3.751 6.984 7.469 202 HH21 ARG 30 1HH2 ARG 30 2.878 3.600 7.362 203 HH22 ARG 30 2HH2 ARG 30 3.532 4.874 8.334 204 H HIS 31 H HIS 31 0.617 3.583 0.963 205 HA HIS 31 HA HIS 31 0.032 1.463 2.651 206 HB2 HIS 31 1HB HIS 31 -1.794 2.805 2.088 207 HB3 HIS 31 2HB HIS 31 -1.445 2.725 0.363 208 HD1 HIS 31 HD1 HIS 31 -2.533 0.320 3.109 209 HD2 HIS 31 HD2 HIS 31 -3.078 1.023 -0.949 210 HE1 HIS 31 HE1 HIS 31 -4.220 -1.385 2.352 211 H ARG 32 H ARG 32 0.204 1.398 -0.911 212 HA ARG 32 HA ARG 32 -0.338 -1.136 -1.545 213 HB2 ARG 32 1HB ARG 32 2.000 0.512 -2.503 214 HB3 ARG 32 2HB ARG 32 1.565 -1.031 -3.226 215 HG2 ARG 32 1HG ARG 32 -0.541 -0.187 -3.947 216 HG3 ARG 32 2HG ARG 32 -0.325 1.298 -3.020 217 HD2 ARG 32 1HD ARG 32 0.150 1.834 -5.279 218 HD3 ARG 32 2HD ARG 32 1.699 1.761 -4.441 219 HE ARG 32 HE ARG 32 2.270 -0.083 -5.699 220 HH11 ARG 32 1HH1 ARG 32 -1.099 0.671 -6.153 221 HH12 ARG 32 2HH1 ARG 32 -1.296 -0.415 -7.489 222 HH21 ARG 32 1HH2 ARG 32 2.023 -1.516 -7.456 223 HH22 ARG 32 2HH2 ARG 32 0.480 -1.659 -8.228 224 H ARG 33 H ARG 33 2.468 -0.096 0.262 225 HA ARG 33 HA ARG 33 4.174 -2.213 0.129 226 HB2 ARG 33 1HB ARG 33 3.367 -0.669 2.599 227 HB3 ARG 33 2HB ARG 33 4.773 -1.720 2.500 228 HG2 ARG 33 1HG ARG 33 4.413 0.554 0.587 229 HG3 ARG 33 2HG ARG 33 5.096 0.808 2.194 230 HD2 ARG 33 1HD ARG 33 6.151 -1.174 0.182 231 HD3 ARG 33 2HD ARG 33 6.799 0.449 0.417 232 HE ARG 33 HE ARG 33 6.732 -1.004 2.860 233 HH11 ARG 33 1HH1 ARG 33 8.501 -0.657 -0.119 234 HH12 ARG 33 2HH1 ARG 33 10.000 -1.207 0.555 235 HH21 ARG 33 1HH2 ARG 33 8.699 -1.729 3.759 236 HH22 ARG 33 2HH2 ARG 33 10.111 -1.817 2.760 237 H VAL 34 H VAL 34 1.322 -1.979 2.240 238 HA VAL 34 HA VAL 34 1.472 -4.289 3.666 239 HB VAL 34 HB VAL 34 -0.938 -4.338 3.785 240 HG11 VAL 34 1HG1 VAL 34 0.552 -1.817 3.975 241 HG12 VAL 34 2HG1 VAL 34 -1.202 -1.637 3.908 242 HG13 VAL 34 3HG1 VAL 34 -0.464 -2.630 5.165 243 HG21 VAL 34 3HG2 VAL 34 -1.412 -4.122 1.393 244 HG22 VAL 34 1HG2 VAL 34 -2.342 -2.962 2.340 245 HG23 VAL 34 2HG2 VAL 34 -0.918 -2.430 1.446 246 H HIS 35 H HIS 35 0.645 -3.960 0.271 247 HA HIS 35 HA HIS 35 -0.097 -6.729 -0.025 248 HB2 HIS 35 1HB HIS 35 0.411 -4.560 -2.071 249 HB3 HIS 35 2HB HIS 35 -0.178 -6.174 -2.457 250 HD1 HIS 35 HD1 HIS 35 -2.555 -6.788 -1.254 251 HD2 HIS 35 HD2 HIS 35 -1.551 -2.766 -1.532 252 HE1 HIS 35 HE1 HIS 35 -4.708 -5.533 -0.918 253 H THR 36 H THR 36 2.537 -4.743 -1.387 254 HA THR 36 HA THR 36 4.273 -7.113 -1.264 255 HB THR 36 HB THR 36 3.542 -6.884 -3.586 256 HG1 THR 36 HG1 THR 36 6.195 -6.436 -2.826 257 HG21 THR 36 3HG2 THR 36 4.028 -4.070 -3.054 258 HG22 THR 36 1HG2 THR 36 3.079 -4.827 -4.333 259 HG23 THR 36 2HG2 THR 36 4.818 -4.613 -4.534 260 H GLY 37 H GLY 37 6.396 -6.738 -0.732 261 HA2 GLY 37 1HA GLY 37 8.149 -4.850 -0.862 262 HA3 GLY 37 2HA GLY 37 6.994 -3.994 0.149 263 H GLY 38 H GLY 38 6.196 -5.698 2.006 264 HA2 GLY 38 1HA GLY 38 8.083 -5.736 3.952 265 HA3 GLY 38 2HA GLY 38 6.794 -6.929 3.868 266 H LYS 39 H LYS 39 7.204 -8.922 2.739 267 HA LYS 39 HA LYS 39 9.467 -10.254 3.458 268 HB2 LYS 39 1HB LYS 39 7.660 -10.684 1.084 269 HB3 LYS 39 2HB LYS 39 8.961 -11.797 1.486 270 HG2 LYS 39 1HG LYS 39 7.898 -11.989 3.778 271 HG3 LYS 39 2HG LYS 39 6.504 -11.155 3.087 272 HD2 LYS 39 1HD LYS 39 6.180 -12.902 1.477 273 HD3 LYS 39 2HD LYS 39 7.690 -13.684 1.950 274 HE2 LYS 39 1HE LYS 39 5.274 -13.324 3.720 275 HE3 LYS 39 2HE LYS 39 5.716 -14.814 2.888 276 HZ1 LYS 39 3HZ LYS 39 7.961 -14.032 4.286 277 HZ2 LYS 39 1HZ LYS 39 6.926 -15.318 4.657 278 HZ3 LYS 39 2HZ LYS 39 6.671 -13.799 5.355 279 HA PRO 40 HA PRO 40 12.782 -8.753 0.982 280 HB2 PRO 40 1HB PRO 40 14.430 -10.907 1.108 281 HB3 PRO 40 2HB PRO 40 14.176 -9.811 2.471 282 HG2 PRO 40 1HG PRO 40 12.938 -12.483 1.933 283 HG3 PRO 40 2HG PRO 40 13.570 -11.829 3.455 284 HD2 PRO 40 1HD PRO 40 10.925 -11.876 2.878 285 HD3 PRO 40 2HD PRO 40 11.664 -10.599 3.865 286 H SER 41 H SER 41 11.711 -8.649 -1.045 287 HA SER 41 HA SER 41 10.995 -10.653 -2.747 288 HB2 SER 41 1HB SER 41 11.451 -9.079 -4.610 289 HB3 SER 41 2HB SER 41 10.608 -8.302 -3.270 290 HG SER 41 HG SER 41 13.391 -8.229 -3.237 291 H GLY 42 H GLY 42 14.185 -9.802 -1.770 292 HA2 GLY 42 1HA GLY 42 15.899 -11.512 -2.043 293 HA3 GLY 42 2HA GLY 42 15.252 -11.814 -3.648 294 HA PRO 43 HA PRO 43 18.459 -8.173 -3.414 295 HB2 PRO 43 1HB PRO 43 20.846 -9.399 -3.005 296 HB3 PRO 43 2HB PRO 43 19.861 -8.751 -1.688 297 HG2 PRO 43 1HG PRO 43 20.106 -11.572 -2.658 298 HG3 PRO 43 2HG PRO 43 20.060 -10.961 -0.994 299 HD2 PRO 43 1HD PRO 43 17.897 -12.048 -2.206 300 HD3 PRO 43 2HD PRO 43 17.765 -10.753 -0.999 301 H SER 44 H SER 44 18.012 -8.088 -5.621 302 HA SER 44 HA SER 44 19.655 -9.843 -7.327 303 HB2 SER 44 1HB SER 44 16.967 -8.563 -7.825 304 HB3 SER 44 2HB SER 44 17.957 -9.215 -9.131 305 HG SER 44 HG SER 44 16.998 -11.018 -8.625 306 H SER 45 H SER 45 21.432 -8.362 -7.020 307 HA SER 45 HA SER 45 21.133 -5.715 -8.215 308 HB2 SER 45 1HB SER 45 22.387 -6.159 -6.020 309 HB3 SER 45 2HB SER 45 23.662 -6.849 -7.025 310 HG SER 45 HG SER 45 23.251 -4.307 -6.464 311 H GLY 46 H GLY 46 21.348 -5.586 -10.348 312 HA2 GLY 46 1HA GLY 46 23.225 -7.419 -11.690 313 HA3 GLY 46 2HA GLY 46 21.861 -6.623 -12.463 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -31.857 -1.281 6.387 2 HA2 GLY 1 1HA GLY 1 -31.288 -0.381 8.847 3 HA3 GLY 1 2HA GLY 1 -30.155 -1.716 8.700 4 H SER 2 H SER 2 -31.137 1.363 7.288 5 HA SER 2 HA SER 2 -28.447 1.591 6.104 6 HB2 SER 2 1HB SER 2 -30.965 3.017 5.216 7 HB3 SER 2 2HB SER 2 -29.390 3.074 4.426 8 HG SER 2 HG SER 2 -29.666 0.700 4.244 9 H SER 3 H SER 3 -31.087 3.707 7.241 10 HA SER 3 HA SER 3 -31.085 5.601 8.501 11 HB2 SER 3 1HB SER 3 -28.551 4.306 9.501 12 HB3 SER 3 2HB SER 3 -29.130 5.844 10.141 13 HG SER 3 HG SER 3 -29.942 3.368 10.745 14 H GLY 4 H GLY 4 -30.232 5.859 5.871 15 HA2 GLY 4 1HA GLY 4 -29.188 7.339 4.461 16 HA3 GLY 4 2HA GLY 4 -29.088 8.403 5.857 17 H SER 5 H SER 5 -27.333 6.674 3.601 18 HA SER 5 HA SER 5 -24.890 6.942 5.224 19 HB2 SER 5 1HB SER 5 -25.769 4.685 3.450 20 HB3 SER 5 2HB SER 5 -24.051 4.998 3.696 21 HG SER 5 HG SER 5 -25.979 4.490 5.718 22 H SER 6 H SER 6 -23.550 8.397 4.411 23 HA SER 6 HA SER 6 -22.780 8.467 1.687 24 HB2 SER 6 1HB SER 6 -24.888 10.375 2.592 25 HB3 SER 6 2HB SER 6 -23.637 10.978 1.505 26 HG SER 6 HG SER 6 -25.607 9.036 1.060 27 H GLY 7 H GLY 7 -21.181 10.152 1.247 28 HA2 GLY 7 1HA GLY 7 -20.101 11.421 3.674 29 HA3 GLY 7 2HA GLY 7 -19.056 10.420 2.677 30 H THR 8 H THR 8 -18.404 13.038 3.195 31 HA THR 8 HA THR 8 -18.790 14.280 0.551 32 HB THR 8 HB THR 8 -18.597 15.752 3.186 33 HG1 THR 8 HG1 THR 8 -20.667 14.594 2.272 34 HG21 THR 8 3HG2 THR 8 -17.701 16.708 0.865 35 HG22 THR 8 1HG2 THR 8 -18.530 17.725 2.043 36 HG23 THR 8 2HG2 THR 8 -19.412 17.079 0.659 37 H GLY 9 H GLY 9 -16.881 13.925 -0.429 38 HA2 GLY 9 1HA GLY 9 -14.581 15.349 0.342 39 HA3 GLY 9 2HA GLY 9 -14.393 13.674 0.840 40 H GLU 10 H GLU 10 -12.782 15.063 -1.074 41 HA GLU 10 HA GLU 10 -13.472 13.576 -3.524 42 HB2 GLU 10 1HB GLU 10 -13.391 16.175 -3.541 43 HB3 GLU 10 2HB GLU 10 -11.646 15.959 -3.505 44 HG2 GLU 10 1HG GLU 10 -13.442 14.730 -5.580 45 HG3 GLU 10 2HG GLU 10 -12.623 16.279 -5.775 46 H LYS 11 H LYS 11 -12.376 11.704 -2.877 47 HA LYS 11 HA LYS 11 -9.453 11.969 -2.630 48 HB2 LYS 11 1HB LYS 11 -11.164 9.624 -1.789 49 HB3 LYS 11 2HB LYS 11 -9.449 9.848 -1.467 50 HG2 LYS 11 1HG LYS 11 -9.837 11.500 0.123 51 HG3 LYS 11 2HG LYS 11 -11.472 11.813 -0.463 52 HD2 LYS 11 1HD LYS 11 -11.809 9.279 0.230 53 HD3 LYS 11 2HD LYS 11 -10.462 9.647 1.309 54 HE2 LYS 11 1HE LYS 11 -12.337 10.140 2.596 55 HE3 LYS 11 2HE LYS 11 -11.841 11.714 1.977 56 HZ1 LYS 11 3HZ LYS 11 -13.993 10.016 0.833 57 HZ2 LYS 11 1HZ LYS 11 -13.527 11.539 0.263 58 HZ3 LYS 11 2HZ LYS 11 -14.231 11.388 1.793 59 HA PRO 12 HA PRO 12 -10.000 10.149 -6.797 60 HB2 PRO 12 1HB PRO 12 -7.722 11.238 -7.795 61 HB3 PRO 12 2HB PRO 12 -9.255 12.114 -7.726 62 HG2 PRO 12 1HG PRO 12 -6.909 12.254 -5.872 63 HG3 PRO 12 2HG PRO 12 -7.901 13.572 -6.523 64 HD2 PRO 12 1HD PRO 12 -8.238 12.594 -4.020 65 HD3 PRO 12 2HD PRO 12 -9.584 13.234 -4.985 66 H TYR 13 H TYR 13 -7.518 10.001 -4.400 67 HA TYR 13 HA TYR 13 -5.948 8.005 -5.779 68 HB2 TYR 13 1HB TYR 13 -5.739 8.756 -2.865 69 HB3 TYR 13 2HB TYR 13 -4.495 8.061 -3.898 70 HD1 TYR 13 HD1 TYR 13 -3.336 9.455 -5.558 71 HD2 TYR 13 HD2 TYR 13 -6.188 11.118 -2.873 72 HE1 TYR 13 HE1 TYR 13 -2.498 11.710 -6.073 73 HE2 TYR 13 HE2 TYR 13 -5.359 13.377 -3.381 74 HH TYR 13 HH TYR 13 -3.759 14.227 -5.892 75 H LYS 14 H LYS 14 -6.822 6.051 -6.016 76 HA LYS 14 HA LYS 14 -7.903 4.727 -3.624 77 HB2 LYS 14 1HB LYS 14 -9.875 5.203 -4.802 78 HB3 LYS 14 2HB LYS 14 -9.126 4.895 -6.363 79 HG2 LYS 14 1HG LYS 14 -9.156 2.550 -6.013 80 HG3 LYS 14 2HG LYS 14 -9.603 2.746 -4.317 81 HD2 LYS 14 1HD LYS 14 -11.778 3.483 -4.875 82 HD3 LYS 14 2HD LYS 14 -11.343 3.721 -6.569 83 HE2 LYS 14 1HE LYS 14 -11.215 1.016 -5.275 84 HE3 LYS 14 2HE LYS 14 -12.716 1.643 -5.954 85 HZ1 LYS 14 3HZ LYS 14 -10.628 0.389 -7.299 86 HZ2 LYS 14 1HZ LYS 14 -10.641 2.000 -7.817 87 HZ3 LYS 14 2HZ LYS 14 -12.036 1.054 -7.960 88 H CYS 15 H CYS 15 -7.380 2.587 -3.380 89 HA CYS 15 HA CYS 15 -5.177 1.631 -4.988 90 HB2 CYS 15 1HB CYS 15 -5.182 1.387 -2.522 91 HB3 CYS 15 2HB CYS 15 -6.575 0.317 -2.648 92 H ASN 16 H ASN 16 -5.316 0.263 -6.639 93 HA ASN 16 HA ASN 16 -7.906 -0.912 -7.277 94 HB2 ASN 16 1HB ASN 16 -5.346 -0.582 -8.839 95 HB3 ASN 16 2HB ASN 16 -6.699 -1.538 -9.438 96 HD21 ASN 16 1HD2 ASN 16 -7.919 -0.485 -10.808 97 HD22 ASN 16 2HD2 ASN 16 -8.260 1.209 -10.785 98 H GLU 17 H GLU 17 -5.813 -1.871 -5.207 99 HA GLU 17 HA GLU 17 -5.455 -4.609 -6.204 100 HB2 GLU 17 1HB GLU 17 -4.283 -3.478 -3.670 101 HB3 GLU 17 2HB GLU 17 -3.763 -4.896 -4.570 102 HG2 GLU 17 1HG GLU 17 -3.484 -2.023 -5.414 103 HG3 GLU 17 2HG GLU 17 -2.195 -3.110 -4.901 104 H CYS 18 H CYS 18 -6.520 -2.871 -3.284 105 HA CYS 18 HA CYS 18 -8.093 -5.246 -2.540 106 HB2 CYS 18 1HB CYS 18 -8.080 -4.331 -0.245 107 HB3 CYS 18 2HB CYS 18 -6.453 -4.624 -0.851 108 H GLY 19 H GLY 19 -8.200 -1.693 -2.635 109 HA2 GLY 19 1HA GLY 19 -10.258 -0.817 -3.770 110 HA3 GLY 19 2HA GLY 19 -11.149 -1.891 -2.700 111 H LYS 20 H LYS 20 -8.346 0.002 -1.749 112 HA LYS 20 HA LYS 20 -10.027 1.387 0.209 113 HB2 LYS 20 1HB LYS 20 -7.096 0.781 0.029 114 HB3 LYS 20 2HB LYS 20 -7.657 2.093 1.058 115 HG2 LYS 20 1HG LYS 20 -9.156 0.459 2.199 116 HG3 LYS 20 2HG LYS 20 -8.380 -0.820 1.262 117 HD2 LYS 20 1HD LYS 20 -7.100 -0.900 3.153 118 HD3 LYS 20 2HD LYS 20 -6.185 0.295 2.230 119 HE2 LYS 20 1HE LYS 20 -8.366 1.096 4.132 120 HE3 LYS 20 2HE LYS 20 -6.715 0.818 4.683 121 HZ1 LYS 20 3HZ LYS 20 -6.391 2.944 4.157 122 HZ2 LYS 20 1HZ LYS 20 -7.808 3.045 3.238 123 HZ3 LYS 20 2HZ LYS 20 -6.389 2.443 2.541 124 H VAL 21 H VAL 21 -9.115 3.680 0.753 125 HA VAL 21 HA VAL 21 -8.361 5.132 -1.673 126 HB VAL 21 HB VAL 21 -10.634 6.117 0.037 127 HG11 VAL 21 1HG1 VAL 21 -11.066 7.591 -1.833 128 HG12 VAL 21 2HG1 VAL 21 -9.387 7.762 -1.314 129 HG13 VAL 21 3HG1 VAL 21 -9.774 6.833 -2.763 130 HG21 VAL 21 3HG2 VAL 21 -12.217 5.219 -1.462 131 HG22 VAL 21 1HG2 VAL 21 -10.971 4.757 -2.622 132 HG23 VAL 21 2HG2 VAL 21 -11.115 3.892 -1.092 133 H PHE 22 H PHE 22 -7.508 7.244 -1.277 134 HA PHE 22 HA PHE 22 -6.954 7.949 1.500 135 HB2 PHE 22 1HB PHE 22 -4.729 7.709 -0.532 136 HB3 PHE 22 2HB PHE 22 -4.572 8.122 1.172 137 HD1 PHE 22 HD2 PHE 22 -5.233 5.419 -1.218 138 HD2 PHE 22 HD1 PHE 22 -4.607 6.436 2.867 139 HE1 PHE 22 HE2 PHE 22 -4.923 3.039 -0.677 140 HE2 PHE 22 HE1 PHE 22 -4.295 4.057 3.415 141 HZ PHE 22 HZ PHE 22 -4.454 2.355 1.642 142 H THR 23 H THR 23 -6.298 10.132 1.794 143 HA THR 23 HA THR 23 -7.273 11.883 -0.321 144 HB THR 23 HB THR 23 -8.091 12.233 1.981 145 HG1 THR 23 HG1 THR 23 -6.696 14.190 0.549 146 HG21 THR 23 3HG2 THR 23 -6.090 13.571 3.295 147 HG22 THR 23 1HG2 THR 23 -5.220 12.233 2.546 148 HG23 THR 23 2HG2 THR 23 -6.585 11.909 3.615 149 H GLN 24 H GLN 24 -4.487 10.480 -0.010 150 HA GLN 24 HA GLN 24 -3.016 12.667 -1.188 151 HB2 GLN 24 1HB GLN 24 -2.238 11.485 1.472 152 HB3 GLN 24 2HB GLN 24 -1.068 12.273 0.422 153 HG2 GLN 24 1HG GLN 24 -2.817 14.225 0.463 154 HG3 GLN 24 2HG GLN 24 -3.328 13.442 1.958 155 HE21 GLN 24 1HE2 GLN 24 -2.546 15.789 2.479 156 HE22 GLN 24 2HE2 GLN 24 -0.921 15.888 3.058 157 H ASN 25 H ASN 25 -1.290 11.992 -2.445 158 HA ASN 25 HA ASN 25 -1.396 9.329 -3.397 159 HB2 ASN 25 1HB ASN 25 -0.731 11.214 -4.825 160 HB3 ASN 25 2HB ASN 25 0.716 11.449 -3.850 161 HD21 ASN 25 1HD2 ASN 25 -0.959 9.071 -5.851 162 HD22 ASN 25 2HD2 ASN 25 0.470 8.303 -6.446 163 H SER 26 H SER 26 0.579 10.948 -1.023 164 HA SER 26 HA SER 26 2.697 9.109 -0.870 165 HB2 SER 26 1HB SER 26 1.557 10.794 1.372 166 HB3 SER 26 2HB SER 26 3.172 10.089 1.309 167 HG SER 26 HG SER 26 2.551 12.442 0.505 168 H HIS 27 H HIS 27 -0.236 9.371 1.141 169 HA HIS 27 HA HIS 27 0.185 7.119 2.716 170 HB2 HIS 27 1HB HIS 27 -2.507 8.117 1.773 171 HB3 HIS 27 2HB HIS 27 -2.168 7.203 3.239 172 HD1 HIS 27 HD1 HIS 27 -3.516 10.088 3.079 173 HD2 HIS 27 HD2 HIS 27 0.431 9.253 4.074 174 HE1 HIS 27 HE1 HIS 27 -2.732 12.057 4.432 175 H LEU 28 H LEU 28 -1.358 7.410 -0.450 176 HA LEU 28 HA LEU 28 -2.229 4.722 -0.621 177 HB2 LEU 28 1HB LEU 28 -3.260 6.294 -2.045 178 HB3 LEU 28 2HB LEU 28 -1.711 6.855 -2.672 179 HG LEU 28 HG LEU 28 -1.430 4.753 -3.881 180 HD11 LEU 28 1HD1 LEU 28 -2.684 2.925 -3.578 181 HD12 LEU 28 2HD1 LEU 28 -4.184 3.847 -3.491 182 HD13 LEU 28 3HD1 LEU 28 -3.161 3.692 -2.063 183 HD21 LEU 28 3HD2 LEU 28 -2.825 6.785 -4.718 184 HD22 LEU 28 1HD2 LEU 28 -4.190 5.682 -4.549 185 HD23 LEU 28 2HD2 LEU 28 -2.853 5.271 -5.623 186 H ALA 29 H ALA 29 0.742 6.365 -1.555 187 HA ALA 29 HA ALA 29 1.880 4.208 -2.997 188 HB1 ALA 29 3HB ALA 29 3.571 5.624 -3.379 189 HB2 ALA 29 1HB ALA 29 2.544 6.827 -2.598 190 HB3 ALA 29 2HB ALA 29 3.782 5.984 -1.666 191 H ARG 30 H ARG 30 2.333 5.335 0.349 192 HA ARG 30 HA ARG 30 4.142 3.289 1.081 193 HB2 ARG 30 1HB ARG 30 3.895 4.064 3.312 194 HB3 ARG 30 2HB ARG 30 3.771 5.483 2.281 195 HG2 ARG 30 1HG ARG 30 1.338 5.424 2.485 196 HG3 ARG 30 2HG ARG 30 1.461 3.997 3.515 197 HD2 ARG 30 1HD ARG 30 2.610 6.721 4.114 198 HD3 ARG 30 2HD ARG 30 1.157 6.031 4.836 199 HE ARG 30 HE ARG 30 3.549 4.451 5.181 200 HH11 ARG 30 1HH1 ARG 30 1.518 6.961 6.484 201 HH12 ARG 30 2HH1 ARG 30 2.075 6.748 8.110 202 HH21 ARG 30 1HH2 ARG 30 4.290 4.161 7.318 203 HH22 ARG 30 2HH2 ARG 30 3.653 5.156 8.584 204 H HIS 31 H HIS 31 0.648 3.516 1.081 205 HA HIS 31 HA HIS 31 0.085 1.301 2.722 206 HB2 HIS 31 1HB HIS 31 -1.750 2.683 2.327 207 HB3 HIS 31 2HB HIS 31 -1.440 2.767 0.595 208 HD1 HIS 31 HD1 HIS 31 -2.456 0.095 3.115 209 HD2 HIS 31 HD2 HIS 31 -3.131 1.218 -0.827 210 HE1 HIS 31 HE1 HIS 31 -4.171 -1.522 2.240 211 H ARG 32 H ARG 32 0.343 1.560 -0.818 212 HA ARG 32 HA ARG 32 -0.290 -0.911 -1.675 213 HB2 ARG 32 1HB ARG 32 1.986 0.874 -2.494 214 HB3 ARG 32 2HB ARG 32 1.709 -0.665 -3.297 215 HG2 ARG 32 1HG ARG 32 -0.577 0.078 -3.860 216 HG3 ARG 32 2HG ARG 32 -0.213 1.645 -3.135 217 HD2 ARG 32 1HD ARG 32 0.165 1.979 -5.413 218 HD3 ARG 32 2HD ARG 32 1.777 1.710 -4.750 219 HE ARG 32 HE ARG 32 0.488 -0.667 -5.749 220 HH11 ARG 32 1HH1 ARG 32 2.517 2.057 -6.515 221 HH12 ARG 32 2HH1 ARG 32 3.251 1.291 -7.884 222 HH21 ARG 32 1HH2 ARG 32 1.447 -1.686 -7.550 223 HH22 ARG 32 2HH2 ARG 32 2.641 -0.838 -8.473 224 H ARG 33 H ARG 33 2.467 -0.084 0.280 225 HA ARG 33 HA ARG 33 4.126 -2.261 -0.088 226 HB2 ARG 33 1HB ARG 33 3.510 -0.714 2.431 227 HB3 ARG 33 2HB ARG 33 4.809 -1.893 2.308 228 HG2 ARG 33 1HG ARG 33 4.574 0.549 0.565 229 HG3 ARG 33 2HG ARG 33 5.537 0.465 2.042 230 HD2 ARG 33 1HD ARG 33 6.622 -1.603 0.926 231 HD3 ARG 33 2HD ARG 33 5.940 -0.954 -0.564 232 HE ARG 33 HE ARG 33 7.592 0.615 -0.566 233 HH11 ARG 33 1HH1 ARG 33 7.239 -0.620 2.670 234 HH12 ARG 33 2HH1 ARG 33 8.592 0.264 3.295 235 HH21 ARG 33 1HH2 ARG 33 9.375 1.784 0.245 236 HH22 ARG 33 2HH2 ARG 33 9.806 1.631 1.915 237 H VAL 34 H VAL 34 1.373 -1.963 2.142 238 HA VAL 34 HA VAL 34 1.470 -4.319 3.496 239 HB VAL 34 HB VAL 34 -0.955 -4.277 3.664 240 HG11 VAL 34 1HG1 VAL 34 -1.034 -1.568 3.963 241 HG12 VAL 34 2HG1 VAL 34 -0.377 -2.698 5.149 242 HG13 VAL 34 3HG1 VAL 34 0.700 -1.886 4.011 243 HG21 VAL 34 3HG2 VAL 34 -0.866 -3.319 1.057 244 HG22 VAL 34 1HG2 VAL 34 -2.301 -3.515 2.062 245 HG23 VAL 34 2HG2 VAL 34 -1.469 -1.962 2.008 246 H HIS 35 H HIS 35 0.962 -3.910 0.117 247 HA HIS 35 HA HIS 35 -0.023 -6.640 -0.215 248 HB2 HIS 35 1HB HIS 35 0.367 -4.380 -2.184 249 HB3 HIS 35 2HB HIS 35 -0.183 -5.990 -2.638 250 HD1 HIS 35 HD1 HIS 35 -2.484 -6.747 -1.333 251 HD2 HIS 35 HD2 HIS 35 -1.644 -2.684 -1.546 252 HE1 HIS 35 HE1 HIS 35 -4.667 -5.585 -0.875 253 H THR 36 H THR 36 2.464 -4.665 -1.843 254 HA THR 36 HA THR 36 3.920 -6.947 -2.725 255 HB THR 36 HB THR 36 4.203 -5.074 -4.094 256 HG1 THR 36 HG1 THR 36 6.527 -4.406 -3.478 257 HG21 THR 36 3HG2 THR 36 4.655 -3.545 -1.545 258 HG22 THR 36 1HG2 THR 36 3.425 -3.283 -2.781 259 HG23 THR 36 2HG2 THR 36 5.111 -2.890 -3.117 260 H GLY 37 H GLY 37 4.482 -8.203 -0.951 261 HA2 GLY 37 1HA GLY 37 6.930 -7.966 0.190 262 HA3 GLY 37 2HA GLY 37 5.900 -7.058 1.287 263 H GLY 38 H GLY 38 5.776 -10.178 -0.450 264 HA2 GLY 38 1HA GLY 38 6.016 -12.151 1.120 265 HA3 GLY 38 2HA GLY 38 4.738 -11.374 2.042 266 H LYS 39 H LYS 39 2.683 -11.856 1.572 267 HA LYS 39 HA LYS 39 2.144 -13.871 -0.393 268 HB2 LYS 39 1HB LYS 39 1.006 -13.629 1.867 269 HB3 LYS 39 2HB LYS 39 0.106 -12.288 1.170 270 HG2 LYS 39 1HG LYS 39 -0.969 -13.707 -0.394 271 HG3 LYS 39 2HG LYS 39 0.106 -15.053 -0.009 272 HD2 LYS 39 1HD LYS 39 -1.945 -15.500 1.090 273 HD3 LYS 39 2HD LYS 39 -0.821 -14.960 2.339 274 HE2 LYS 39 1HE LYS 39 -1.818 -12.617 1.883 275 HE3 LYS 39 2HE LYS 39 -3.135 -13.503 1.116 276 HZ1 LYS 39 3HZ LYS 39 -2.658 -13.071 3.866 277 HZ2 LYS 39 1HZ LYS 39 -2.672 -14.733 3.552 278 HZ3 LYS 39 2HZ LYS 39 -4.000 -13.780 3.120 279 HA PRO 40 HA PRO 40 1.267 -11.159 -3.775 280 HB2 PRO 40 1HB PRO 40 0.047 -12.980 -5.377 281 HB3 PRO 40 2HB PRO 40 1.796 -12.940 -5.127 282 HG2 PRO 40 1HG PRO 40 -0.260 -14.695 -3.843 283 HG3 PRO 40 2HG PRO 40 1.343 -15.123 -4.469 284 HD2 PRO 40 1HD PRO 40 0.862 -14.745 -1.831 285 HD3 PRO 40 2HD PRO 40 2.422 -14.356 -2.582 286 H SER 41 H SER 41 -1.337 -13.450 -2.918 287 HA SER 41 HA SER 41 -3.216 -11.458 -2.274 288 HB2 SER 41 1HB SER 41 -3.062 -11.070 -4.752 289 HB3 SER 41 2HB SER 41 -3.683 -12.702 -4.992 290 HG SER 41 HG SER 41 -5.041 -10.763 -3.442 291 H GLY 42 H GLY 42 -5.537 -12.440 -2.318 292 HA2 GLY 42 1HA GLY 42 -6.941 -14.064 -1.505 293 HA3 GLY 42 2HA GLY 42 -5.951 -15.205 -2.403 294 HA PRO 43 HA PRO 43 -5.323 -15.346 2.371 295 HB2 PRO 43 1HB PRO 43 -7.254 -17.106 3.107 296 HB3 PRO 43 2HB PRO 43 -7.497 -15.355 3.114 297 HG2 PRO 43 1HG PRO 43 -8.326 -17.375 1.065 298 HG3 PRO 43 2HG PRO 43 -9.239 -16.001 1.715 299 HD2 PRO 43 1HD PRO 43 -7.992 -15.915 -0.686 300 HD3 PRO 43 2HD PRO 43 -8.173 -14.483 0.347 301 H SER 44 H SER 44 -5.955 -17.607 -0.181 302 HA SER 44 HA SER 44 -5.262 -19.753 -0.584 303 HB2 SER 44 1HB SER 44 -2.804 -20.070 -0.182 304 HB3 SER 44 2HB SER 44 -3.204 -18.583 -1.042 305 HG SER 44 HG SER 44 -2.502 -18.887 1.685 306 H SER 45 H SER 45 -6.766 -19.603 1.763 307 HA SER 45 HA SER 45 -5.370 -21.451 3.579 308 HB2 SER 45 1HB SER 45 -7.794 -19.712 4.097 309 HB3 SER 45 2HB SER 45 -7.045 -20.793 5.271 310 HG SER 45 HG SER 45 -6.362 -18.285 4.625 311 H GLY 46 H GLY 46 -6.898 -23.034 4.693 312 HA2 GLY 46 1HA GLY 46 -9.228 -23.849 3.206 313 HA3 GLY 46 2HA GLY 46 -7.850 -24.914 2.976 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -21.314 -1.224 16.684 2 HA2 GLY 1 1HA GLY 1 -22.920 1.092 16.187 3 HA3 GLY 1 2HA GLY 1 -21.846 1.325 17.558 4 H SER 2 H SER 2 -19.517 0.919 17.163 5 HA SER 2 HA SER 2 -17.618 1.563 16.077 6 HB2 SER 2 1HB SER 2 -19.002 0.167 13.774 7 HB3 SER 2 2HB SER 2 -17.283 0.552 13.850 8 HG SER 2 HG SER 2 -18.643 -1.516 14.970 9 H SER 3 H SER 3 -19.491 3.599 16.245 10 HA SER 3 HA SER 3 -19.413 4.910 13.620 11 HB2 SER 3 1HB SER 3 -21.615 4.783 14.736 12 HB3 SER 3 2HB SER 3 -20.961 5.679 16.107 13 HG SER 3 HG SER 3 -21.737 7.290 14.949 14 H GLY 4 H GLY 4 -17.492 5.904 13.386 15 HA2 GLY 4 1HA GLY 4 -16.877 8.077 15.221 16 HA3 GLY 4 2HA GLY 4 -15.663 6.811 15.106 17 H SER 5 H SER 5 -14.865 9.278 14.473 18 HA SER 5 HA SER 5 -15.232 10.045 11.780 19 HB2 SER 5 1HB SER 5 -14.421 11.679 13.335 20 HB3 SER 5 2HB SER 5 -13.043 10.669 13.770 21 HG SER 5 HG SER 5 -12.769 12.484 12.165 22 H SER 6 H SER 6 -14.629 8.950 10.045 23 HA SER 6 HA SER 6 -12.037 7.557 10.086 24 HB2 SER 6 1HB SER 6 -12.920 5.650 9.004 25 HB3 SER 6 2HB SER 6 -14.091 6.024 10.269 26 HG SER 6 HG SER 6 -14.910 7.392 8.245 27 H GLY 7 H GLY 7 -10.907 7.491 8.121 28 HA2 GLY 7 1HA GLY 7 -11.722 9.597 6.247 29 HA3 GLY 7 2HA GLY 7 -10.100 8.943 6.420 30 H THR 8 H THR 8 -13.368 7.778 5.592 31 HA THR 8 HA THR 8 -12.157 6.331 3.327 32 HB THR 8 HB THR 8 -14.478 5.349 4.999 33 HG1 THR 8 HG1 THR 8 -11.754 4.514 4.890 34 HG21 THR 8 3HG2 THR 8 -13.686 3.198 3.646 35 HG22 THR 8 1HG2 THR 8 -13.191 4.429 2.485 36 HG23 THR 8 2HG2 THR 8 -14.876 4.326 2.997 37 H GLY 9 H GLY 9 -12.709 8.118 1.978 38 HA2 GLY 9 1HA GLY 9 -15.580 8.166 1.298 39 HA3 GLY 9 2HA GLY 9 -14.660 9.658 1.423 40 H GLU 10 H GLU 10 -15.412 9.974 -0.803 41 HA GLU 10 HA GLU 10 -14.152 8.286 -2.815 42 HB2 GLU 10 1HB GLU 10 -15.464 9.517 -4.431 43 HB3 GLU 10 2HB GLU 10 -16.501 9.015 -3.103 44 HG2 GLU 10 1HG GLU 10 -16.077 11.346 -2.139 45 HG3 GLU 10 2HG GLU 10 -15.472 11.752 -3.744 46 H LYS 11 H LYS 11 -12.143 8.705 -3.422 47 HA LYS 11 HA LYS 11 -11.345 11.476 -3.903 48 HB2 LYS 11 1HB LYS 11 -10.040 9.576 -1.992 49 HB3 LYS 11 2HB LYS 11 -9.048 10.738 -2.863 50 HG2 LYS 11 1HG LYS 11 -11.440 11.516 -1.216 51 HG3 LYS 11 2HG LYS 11 -9.794 11.451 -0.581 52 HD2 LYS 11 1HD LYS 11 -10.445 13.041 -3.040 53 HD3 LYS 11 2HD LYS 11 -10.701 13.712 -1.427 54 HE2 LYS 11 1HE LYS 11 -8.366 13.404 -0.888 55 HE3 LYS 11 2HE LYS 11 -8.084 12.594 -2.428 56 HZ1 LYS 11 3HZ LYS 11 -8.046 15.356 -1.852 57 HZ2 LYS 11 1HZ LYS 11 -9.233 15.046 -3.017 58 HZ3 LYS 11 2HZ LYS 11 -7.634 14.567 -3.290 59 HA PRO 12 HA PRO 12 -9.400 9.894 -7.504 60 HB2 PRO 12 1HB PRO 12 -7.210 11.484 -7.718 61 HB3 PRO 12 2HB PRO 12 -8.850 12.060 -8.038 62 HG2 PRO 12 1HG PRO 12 -7.176 12.380 -5.576 63 HG3 PRO 12 2HG PRO 12 -8.202 13.573 -6.394 64 HD2 PRO 12 1HD PRO 12 -8.998 12.247 -4.172 65 HD3 PRO 12 2HD PRO 12 -10.133 12.753 -5.440 66 H TYR 13 H TYR 13 -7.833 9.729 -4.479 67 HA TYR 13 HA TYR 13 -5.634 8.112 -5.550 68 HB2 TYR 13 1HB TYR 13 -6.021 9.077 -2.713 69 HB3 TYR 13 2HB TYR 13 -4.561 8.381 -3.408 70 HD1 TYR 13 HD1 TYR 13 -3.435 9.681 -5.320 71 HD2 TYR 13 HD2 TYR 13 -6.346 11.389 -2.728 72 HE1 TYR 13 HE1 TYR 13 -2.647 11.930 -5.927 73 HE2 TYR 13 HE2 TYR 13 -5.566 13.643 -3.329 74 HH TYR 13 HH TYR 13 -2.689 14.146 -5.232 75 H LYS 14 H LYS 14 -6.446 6.113 -5.921 76 HA LYS 14 HA LYS 14 -7.507 4.674 -3.585 77 HB2 LYS 14 1HB LYS 14 -9.471 4.840 -4.777 78 HB3 LYS 14 2HB LYS 14 -8.650 4.887 -6.331 79 HG2 LYS 14 1HG LYS 14 -8.220 2.510 -6.215 80 HG3 LYS 14 2HG LYS 14 -8.941 2.436 -4.605 81 HD2 LYS 14 1HD LYS 14 -10.579 3.574 -6.807 82 HD3 LYS 14 2HD LYS 14 -10.313 1.829 -6.797 83 HE2 LYS 14 1HE LYS 14 -12.179 1.900 -5.502 84 HE3 LYS 14 2HE LYS 14 -10.973 2.142 -4.240 85 HZ1 LYS 14 3HZ LYS 14 -12.375 3.857 -3.793 86 HZ2 LYS 14 1HZ LYS 14 -12.857 4.055 -5.402 87 HZ3 LYS 14 2HZ LYS 14 -11.355 4.641 -4.891 88 H CYS 15 H CYS 15 -7.023 2.445 -3.493 89 HA CYS 15 HA CYS 15 -4.543 1.760 -4.833 90 HB2 CYS 15 1HB CYS 15 -4.789 1.331 -2.423 91 HB3 CYS 15 2HB CYS 15 -6.135 0.245 -2.753 92 H ASN 16 H ASN 16 -4.417 0.569 -6.612 93 HA ASN 16 HA ASN 16 -6.805 -0.675 -7.682 94 HB2 ASN 16 1HB ASN 16 -4.017 -0.289 -8.778 95 HB3 ASN 16 2HB ASN 16 -5.271 -1.174 -9.642 96 HD21 ASN 16 1HD2 ASN 16 -3.782 1.477 -9.991 97 HD22 ASN 16 2HD2 ASN 16 -5.043 2.598 -10.362 98 H GLU 17 H GLU 17 -5.139 -1.718 -5.316 99 HA GLU 17 HA GLU 17 -4.577 -4.408 -6.359 100 HB2 GLU 17 1HB GLU 17 -3.804 -3.407 -3.629 101 HB3 GLU 17 2HB GLU 17 -3.122 -4.751 -4.535 102 HG2 GLU 17 1HG GLU 17 -2.874 -1.883 -5.396 103 HG3 GLU 17 2HG GLU 17 -1.687 -2.706 -4.386 104 H CYS 18 H CYS 18 -6.133 -2.741 -3.632 105 HA CYS 18 HA CYS 18 -7.793 -5.142 -3.223 106 HB2 CYS 18 1HB CYS 18 -8.090 -4.358 -0.893 107 HB3 CYS 18 2HB CYS 18 -6.404 -4.682 -1.282 108 H GLY 19 H GLY 19 -7.816 -1.589 -3.111 109 HA2 GLY 19 1HA GLY 19 -9.687 -0.605 -4.469 110 HA3 GLY 19 2HA GLY 19 -10.733 -1.697 -3.573 111 H LYS 20 H LYS 20 -8.046 -0.055 -2.067 112 HA LYS 20 HA LYS 20 -9.901 1.281 -0.269 113 HB2 LYS 20 1HB LYS 20 -6.972 0.686 -0.242 114 HB3 LYS 20 2HB LYS 20 -7.578 2.001 0.756 115 HG2 LYS 20 1HG LYS 20 -9.271 0.255 1.623 116 HG3 LYS 20 2HG LYS 20 -8.149 -0.927 0.944 117 HD2 LYS 20 1HD LYS 20 -6.481 -0.403 2.442 118 HD3 LYS 20 2HD LYS 20 -7.089 1.233 2.709 119 HE2 LYS 20 1HE LYS 20 -7.564 0.075 4.696 120 HE3 LYS 20 2HE LYS 20 -9.095 0.131 3.824 121 HZ1 LYS 20 3HZ LYS 20 -8.789 -2.057 4.677 122 HZ2 LYS 20 1HZ LYS 20 -7.236 -2.173 4.018 123 HZ3 LYS 20 2HZ LYS 20 -8.586 -2.134 3.000 124 H VAL 21 H VAL 21 -9.276 3.563 0.424 125 HA VAL 21 HA VAL 21 -8.277 5.167 -1.819 126 HB VAL 21 HB VAL 21 -10.799 5.905 -0.338 127 HG11 VAL 21 1HG1 VAL 21 -9.454 7.737 -1.331 128 HG12 VAL 21 2HG1 VAL 21 -9.644 6.973 -2.910 129 HG13 VAL 21 3HG1 VAL 21 -11.058 7.579 -2.047 130 HG21 VAL 21 3HG2 VAL 21 -12.087 5.147 -2.189 131 HG22 VAL 21 1HG2 VAL 21 -10.639 4.792 -3.131 132 HG23 VAL 21 2HG2 VAL 21 -11.033 3.815 -1.717 133 H PHE 22 H PHE 22 -7.507 7.247 -1.237 134 HA PHE 22 HA PHE 22 -7.295 7.815 1.626 135 HB2 PHE 22 1HB PHE 22 -4.917 7.757 -0.243 136 HB3 PHE 22 2HB PHE 22 -4.888 8.231 1.452 137 HD1 PHE 22 HD2 PHE 22 -5.431 5.394 -0.847 138 HD2 PHE 22 HD1 PHE 22 -4.731 6.624 3.167 139 HE1 PHE 22 HE2 PHE 22 -5.010 3.056 -0.208 140 HE2 PHE 22 HE1 PHE 22 -4.308 4.288 3.813 141 HZ PHE 22 HZ PHE 22 -4.449 2.500 2.125 142 H THR 23 H THR 23 -6.298 10.025 1.987 143 HA THR 23 HA THR 23 -7.558 11.886 0.128 144 HB THR 23 HB THR 23 -8.054 12.177 2.502 145 HG1 THR 23 HG1 THR 23 -7.070 14.067 0.871 146 HG21 THR 23 3HG2 THR 23 -6.512 12.048 4.111 147 HG22 THR 23 1HG2 THR 23 -5.513 13.276 3.334 148 HG23 THR 23 2HG2 THR 23 -5.351 11.583 2.867 149 H GLN 24 H GLN 24 -4.510 10.594 0.702 150 HA GLN 24 HA GLN 24 -3.263 12.775 -0.823 151 HB2 GLN 24 1HB GLN 24 -2.074 11.352 1.563 152 HB3 GLN 24 2HB GLN 24 -1.182 12.437 0.505 153 HG2 GLN 24 1HG GLN 24 -3.668 13.370 1.872 154 HG3 GLN 24 2HG GLN 24 -2.133 13.322 2.737 155 HE21 GLN 24 1HE2 GLN 24 -0.603 14.834 2.319 156 HE22 GLN 24 2HE2 GLN 24 -0.827 16.159 1.234 157 H ASN 25 H ASN 25 -1.338 12.127 -2.015 158 HA ASN 25 HA ASN 25 -1.709 9.567 -3.256 159 HB2 ASN 25 1HB ASN 25 -1.086 11.372 -4.690 160 HB3 ASN 25 2HB ASN 25 0.294 11.786 -3.678 161 HD21 ASN 25 1HD2 ASN 25 2.193 11.066 -4.306 162 HD22 ASN 25 2HD2 ASN 25 2.473 9.753 -5.394 163 H SER 26 H SER 26 0.798 11.061 -1.243 164 HA SER 26 HA SER 26 2.680 9.027 -1.275 165 HB2 SER 26 1HB SER 26 1.938 11.057 0.821 166 HB3 SER 26 2HB SER 26 3.233 9.891 1.095 167 HG SER 26 HG SER 26 3.601 12.120 0.005 168 H HIS 27 H HIS 27 0.092 9.519 1.130 169 HA HIS 27 HA HIS 27 0.483 7.299 2.694 170 HB2 HIS 27 1HB HIS 27 -2.228 8.345 1.861 171 HB3 HIS 27 2HB HIS 27 -1.844 7.458 3.333 172 HD1 HIS 27 HD1 HIS 27 -3.187 10.130 3.649 173 HD2 HIS 27 HD2 HIS 27 0.942 9.693 3.490 174 HE1 HIS 27 HE1 HIS 27 -2.251 12.170 4.782 175 H LEU 28 H LEU 28 -1.364 7.498 -0.328 176 HA LEU 28 HA LEU 28 -2.269 4.837 -0.350 177 HB2 LEU 28 1HB LEU 28 -3.365 6.282 -1.808 178 HB3 LEU 28 2HB LEU 28 -1.857 6.916 -2.463 179 HG LEU 28 HG LEU 28 -1.500 4.798 -3.656 180 HD11 LEU 28 1HD1 LEU 28 -3.525 3.272 -3.813 181 HD12 LEU 28 2HD1 LEU 28 -4.102 4.066 -2.348 182 HD13 LEU 28 3HD1 LEU 28 -2.574 3.186 -2.330 183 HD21 LEU 28 3HD2 LEU 28 -2.517 6.449 -4.965 184 HD22 LEU 28 1HD2 LEU 28 -4.051 6.316 -4.104 185 HD23 LEU 28 2HD2 LEU 28 -3.535 5.025 -5.190 186 H ALA 29 H ALA 29 0.575 6.340 -1.861 187 HA ALA 29 HA ALA 29 1.585 4.092 -3.155 188 HB1 ALA 29 3HB ALA 29 3.514 5.989 -1.933 189 HB2 ALA 29 1HB ALA 29 3.448 5.335 -3.570 190 HB3 ALA 29 2HB ALA 29 2.348 6.628 -3.092 191 H ARG 30 H ARG 30 2.355 5.316 0.102 192 HA ARG 30 HA ARG 30 4.134 3.252 0.792 193 HB2 ARG 30 1HB ARG 30 3.745 3.977 3.128 194 HB3 ARG 30 2HB ARG 30 4.084 5.321 2.045 195 HG2 ARG 30 1HG ARG 30 1.769 5.938 1.987 196 HG3 ARG 30 2HG ARG 30 1.319 4.496 2.901 197 HD2 ARG 30 1HD ARG 30 1.323 6.283 4.448 198 HD3 ARG 30 2HD ARG 30 2.795 5.362 4.755 199 HE ARG 30 HE ARG 30 3.684 7.245 3.083 200 HH11 ARG 30 1HH1 ARG 30 1.666 7.454 5.912 201 HH12 ARG 30 2HH1 ARG 30 2.201 9.047 6.336 202 HH21 ARG 30 1HH2 ARG 30 4.397 9.341 3.631 203 HH22 ARG 30 2HH2 ARG 30 3.754 10.119 5.038 204 H HIS 31 H HIS 31 0.641 3.567 1.139 205 HA HIS 31 HA HIS 31 0.131 1.396 2.797 206 HB2 HIS 31 1HB HIS 31 -1.752 2.675 2.442 207 HB3 HIS 31 2HB HIS 31 -1.438 2.852 0.718 208 HD1 HIS 31 HD1 HIS 31 -2.759 0.317 3.194 209 HD2 HIS 31 HD2 HIS 31 -2.774 1.083 -0.890 210 HE1 HIS 31 HE1 HIS 31 -4.368 -1.343 2.204 211 H ARG 32 H ARG 32 0.146 1.474 -0.767 212 HA ARG 32 HA ARG 32 -0.476 -1.036 -1.463 213 HB2 ARG 32 1HB ARG 32 1.835 0.608 -2.498 214 HB3 ARG 32 2HB ARG 32 1.293 -0.880 -3.262 215 HG2 ARG 32 1HG ARG 32 -0.843 0.076 -3.761 216 HG3 ARG 32 2HG ARG 32 -0.465 1.521 -2.821 217 HD2 ARG 32 1HD ARG 32 0.009 2.298 -4.912 218 HD3 ARG 32 2HD ARG 32 1.584 1.631 -4.485 219 HE ARG 32 HE ARG 32 0.415 -0.455 -5.686 220 HH11 ARG 32 1HH1 ARG 32 0.687 2.891 -6.608 221 HH12 ARG 32 2HH1 ARG 32 0.675 2.559 -8.308 222 HH21 ARG 32 1HH2 ARG 32 0.398 -0.905 -7.923 223 HH22 ARG 32 2HH2 ARG 32 0.510 0.400 -9.055 224 H ARG 33 H ARG 33 2.367 -0.096 0.306 225 HA ARG 33 HA ARG 33 4.087 -2.195 -0.030 226 HB2 ARG 33 1HB ARG 33 3.381 -0.628 2.443 227 HB3 ARG 33 2HB ARG 33 4.646 -1.850 2.448 228 HG2 ARG 33 1HG ARG 33 5.783 -0.606 0.630 229 HG3 ARG 33 2HG ARG 33 4.560 0.657 0.785 230 HD2 ARG 33 1HD ARG 33 6.611 1.206 2.016 231 HD3 ARG 33 2HD ARG 33 5.220 1.046 3.088 232 HE ARG 33 HE ARG 33 7.538 -0.697 2.956 233 HH11 ARG 33 1HH1 ARG 33 4.314 -0.172 4.160 234 HH12 ARG 33 2HH1 ARG 33 4.467 -1.321 5.448 235 HH21 ARG 33 1HH2 ARG 33 7.752 -2.213 4.647 236 HH22 ARG 33 2HH2 ARG 33 6.424 -2.480 5.724 237 H VAL 34 H VAL 34 1.293 -2.079 2.162 238 HA VAL 34 HA VAL 34 1.497 -4.436 3.499 239 HB VAL 34 HB VAL 34 -0.927 -4.539 3.616 240 HG11 VAL 34 1HG1 VAL 34 -1.374 -2.153 4.295 241 HG12 VAL 34 2HG1 VAL 34 0.043 -2.902 5.034 242 HG13 VAL 34 3HG1 VAL 34 0.240 -1.765 3.699 243 HG21 VAL 34 3HG2 VAL 34 -2.388 -3.351 2.223 244 HG22 VAL 34 1HG2 VAL 34 -1.099 -2.321 1.600 245 HG23 VAL 34 2HG2 VAL 34 -1.183 -4.016 1.122 246 H HIS 35 H HIS 35 0.859 -4.011 0.110 247 HA HIS 35 HA HIS 35 0.025 -6.752 -0.294 248 HB2 HIS 35 1HB HIS 35 0.620 -4.508 -2.230 249 HB3 HIS 35 2HB HIS 35 0.075 -6.109 -2.720 250 HD1 HIS 35 HD1 HIS 35 -2.395 -6.715 -2.259 251 HD2 HIS 35 HD2 HIS 35 -1.347 -2.862 -1.112 252 HE1 HIS 35 HE1 HIS 35 -4.569 -5.529 -1.822 253 H THR 36 H THR 36 2.842 -4.750 -1.121 254 HA THR 36 HA THR 36 4.367 -7.237 -1.554 255 HB THR 36 HB THR 36 4.243 -6.103 -3.654 256 HG1 THR 36 HG1 THR 36 6.495 -5.580 -3.940 257 HG21 THR 36 3HG2 THR 36 4.296 -3.743 -2.019 258 HG22 THR 36 1HG2 THR 36 3.869 -3.907 -3.721 259 HG23 THR 36 2HG2 THR 36 5.550 -3.644 -3.254 260 H GLY 37 H GLY 37 5.452 -7.564 0.302 261 HA2 GLY 37 1HA GLY 37 7.210 -5.387 1.217 262 HA3 GLY 37 2HA GLY 37 6.203 -6.237 2.380 263 H GLY 38 H GLY 38 6.512 -8.628 2.494 264 HA2 GLY 38 1HA GLY 38 8.769 -9.914 1.427 265 HA3 GLY 38 2HA GLY 38 9.209 -9.238 2.989 266 H LYS 39 H LYS 39 9.296 -11.961 2.516 267 HA LYS 39 HA LYS 39 7.534 -12.902 4.587 268 HB2 LYS 39 1HB LYS 39 6.382 -14.581 3.334 269 HB3 LYS 39 2HB LYS 39 6.144 -13.050 2.501 270 HG2 LYS 39 1HG LYS 39 8.016 -13.695 0.969 271 HG3 LYS 39 2HG LYS 39 7.995 -15.289 1.726 272 HD2 LYS 39 1HD LYS 39 5.606 -15.504 1.090 273 HD3 LYS 39 2HD LYS 39 5.728 -13.962 0.239 274 HE2 LYS 39 1HE LYS 39 7.537 -16.287 -0.364 275 HE3 LYS 39 2HE LYS 39 5.976 -16.077 -1.155 276 HZ1 LYS 39 3HZ LYS 39 8.276 -14.203 -1.241 277 HZ2 LYS 39 1HZ LYS 39 6.749 -13.864 -1.886 278 HZ3 LYS 39 2HZ LYS 39 7.673 -15.130 -2.521 279 HA PRO 40 HA PRO 40 10.937 -15.575 5.341 280 HB2 PRO 40 1HB PRO 40 9.694 -17.621 6.623 281 HB3 PRO 40 2HB PRO 40 9.958 -16.039 7.367 282 HG2 PRO 40 1HG PRO 40 7.491 -17.136 6.073 283 HG3 PRO 40 2HG PRO 40 7.647 -16.204 7.573 284 HD2 PRO 40 1HD PRO 40 6.869 -15.081 5.236 285 HD3 PRO 40 2HD PRO 40 7.803 -14.194 6.457 286 H SER 41 H SER 41 11.945 -17.478 4.645 287 HA SER 41 HA SER 41 10.649 -18.744 2.346 288 HB2 SER 41 1HB SER 41 13.534 -18.638 3.243 289 HB3 SER 41 2HB SER 41 12.977 -19.608 1.880 290 HG SER 41 HG SER 41 12.053 -17.504 1.124 291 H GLY 42 H GLY 42 10.844 -21.061 2.033 292 HA2 GLY 42 1HA GLY 42 11.418 -22.660 4.403 293 HA3 GLY 42 2HA GLY 42 9.757 -22.684 3.830 294 HA PRO 43 HA PRO 43 12.663 -24.812 0.546 295 HB2 PRO 43 1HB PRO 43 14.893 -25.915 1.633 296 HB3 PRO 43 2HB PRO 43 14.859 -24.280 0.961 297 HG2 PRO 43 1HG PRO 43 14.669 -25.160 3.816 298 HG3 PRO 43 2HG PRO 43 15.594 -23.818 3.119 299 HD2 PRO 43 1HD PRO 43 13.222 -23.455 4.373 300 HD3 PRO 43 2HD PRO 43 13.754 -22.434 3.021 301 H SER 44 H SER 44 11.424 -25.685 3.491 302 HA SER 44 HA SER 44 11.575 -28.561 2.871 303 HB2 SER 44 1HB SER 44 10.975 -28.881 5.302 304 HB3 SER 44 2HB SER 44 12.557 -28.153 5.022 305 HG SER 44 HG SER 44 11.728 -26.169 5.574 306 H SER 45 H SER 45 9.795 -29.291 1.933 307 HA SER 45 HA SER 45 7.450 -28.141 1.412 308 HB2 SER 45 1HB SER 45 6.401 -30.330 1.302 309 HB3 SER 45 2HB SER 45 8.069 -30.459 0.743 310 HG SER 45 HG SER 45 8.201 -31.979 2.185 311 H GLY 46 H GLY 46 5.497 -27.694 2.364 312 HA2 GLY 46 1HA GLY 46 5.527 -27.591 5.279 313 HA3 GLY 46 2HA GLY 46 4.388 -26.774 4.219 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -20.141 -5.359 1.775 2 HA2 GLY 1 1HA GLY 1 -21.278 -6.778 -0.157 3 HA3 GLY 1 2HA GLY 1 -22.611 -5.711 0.261 4 H SER 2 H SER 2 -22.460 -4.971 -1.955 5 HA SER 2 HA SER 2 -20.122 -3.326 -2.574 6 HB2 SER 2 1HB SER 2 -21.023 -4.928 -4.279 7 HB3 SER 2 2HB SER 2 -22.495 -3.960 -4.342 8 HG SER 2 HG SER 2 -19.898 -3.316 -5.202 9 H SER 3 H SER 3 -20.641 -1.709 -0.978 10 HA SER 3 HA SER 3 -23.059 -0.155 -1.340 11 HB2 SER 3 1HB SER 3 -20.811 -0.179 0.625 12 HB3 SER 3 2HB SER 3 -21.747 1.305 0.448 13 HG SER 3 HG SER 3 -22.526 -1.195 1.417 14 H GLY 4 H GLY 4 -23.236 1.792 -2.318 15 HA2 GLY 4 1HA GLY 4 -21.370 2.570 -4.258 16 HA3 GLY 4 2HA GLY 4 -22.697 3.564 -3.674 17 H SER 5 H SER 5 -22.018 5.477 -3.008 18 HA SER 5 HA SER 5 -19.402 5.644 -1.660 19 HB2 SER 5 1HB SER 5 -19.388 6.842 -3.782 20 HB3 SER 5 2HB SER 5 -20.836 7.735 -3.316 21 HG SER 5 HG SER 5 -18.334 8.393 -2.854 22 H SER 6 H SER 6 -20.561 5.109 0.323 23 HA SER 6 HA SER 6 -22.226 7.290 1.368 24 HB2 SER 6 1HB SER 6 -23.040 4.875 1.431 25 HB3 SER 6 2HB SER 6 -21.799 4.590 2.651 26 HG SER 6 HG SER 6 -23.488 5.158 3.856 27 H GLY 7 H GLY 7 -20.262 8.607 1.602 28 HA2 GLY 7 1HA GLY 7 -19.275 9.556 3.647 29 HA3 GLY 7 2HA GLY 7 -18.828 7.916 4.092 30 H THR 8 H THR 8 -18.479 9.797 1.087 31 HA THR 8 HA THR 8 -15.602 9.839 1.363 32 HB THR 8 HB THR 8 -16.865 8.303 -0.917 33 HG1 THR 8 HG1 THR 8 -15.574 7.559 1.464 34 HG21 THR 8 3HG2 THR 8 -14.444 7.799 -1.452 35 HG22 THR 8 1HG2 THR 8 -14.016 9.097 -0.338 36 HG23 THR 8 2HG2 THR 8 -14.971 9.450 -1.778 37 H GLY 9 H GLY 9 -14.996 11.789 0.702 38 HA2 GLY 9 1HA GLY 9 -16.737 13.378 -0.974 39 HA3 GLY 9 2HA GLY 9 -15.239 13.907 -0.224 40 H GLU 10 H GLU 10 -13.927 14.627 -1.763 41 HA GLU 10 HA GLU 10 -13.905 13.311 -4.372 42 HB2 GLU 10 1HB GLU 10 -12.450 15.262 -5.019 43 HB3 GLU 10 2HB GLU 10 -14.082 15.682 -4.517 44 HG2 GLU 10 1HG GLU 10 -13.254 16.318 -2.318 45 HG3 GLU 10 2HG GLU 10 -11.618 15.875 -2.800 46 H LYS 11 H LYS 11 -12.854 11.398 -3.456 47 HA LYS 11 HA LYS 11 -9.991 11.783 -2.909 48 HB2 LYS 11 1HB LYS 11 -11.690 9.333 -2.409 49 HB3 LYS 11 2HB LYS 11 -10.021 9.567 -1.907 50 HG2 LYS 11 1HG LYS 11 -12.103 11.488 -0.983 51 HG3 LYS 11 2HG LYS 11 -11.975 9.904 -0.215 52 HD2 LYS 11 1HD LYS 11 -9.484 11.485 -0.589 53 HD3 LYS 11 2HD LYS 11 -10.613 12.000 0.666 54 HE2 LYS 11 1HE LYS 11 -9.625 9.169 0.420 55 HE3 LYS 11 2HE LYS 11 -8.788 10.391 1.376 56 HZ1 LYS 11 3HZ LYS 11 -11.576 10.299 1.973 57 HZ2 LYS 11 1HZ LYS 11 -10.249 10.168 3.014 58 HZ3 LYS 11 2HZ LYS 11 -10.840 8.796 2.223 59 HA PRO 12 HA PRO 12 -9.925 10.212 -7.210 60 HB2 PRO 12 1HB PRO 12 -7.599 11.461 -7.845 61 HB3 PRO 12 2HB PRO 12 -9.172 12.264 -7.919 62 HG2 PRO 12 1HG PRO 12 -7.083 12.384 -5.779 63 HG3 PRO 12 2HG PRO 12 -8.053 13.698 -6.471 64 HD2 PRO 12 1HD PRO 12 -8.645 12.546 -4.093 65 HD3 PRO 12 2HD PRO 12 -9.893 13.188 -5.181 66 H TYR 13 H TYR 13 -7.807 9.971 -4.509 67 HA TYR 13 HA TYR 13 -6.036 8.070 -5.828 68 HB2 TYR 13 1HB TYR 13 -6.032 9.049 -2.966 69 HB3 TYR 13 2HB TYR 13 -4.772 8.092 -3.736 70 HD1 TYR 13 HD1 TYR 13 -3.453 9.118 -5.624 71 HD2 TYR 13 HD2 TYR 13 -6.064 11.401 -3.160 72 HE1 TYR 13 HE1 TYR 13 -2.324 11.180 -6.348 73 HE2 TYR 13 HE2 TYR 13 -4.944 13.469 -3.878 74 HH TYR 13 HH TYR 13 -2.823 13.592 -6.513 75 H LYS 14 H LYS 14 -6.613 6.015 -5.961 76 HA LYS 14 HA LYS 14 -7.834 4.721 -3.639 77 HB2 LYS 14 1HB LYS 14 -9.785 5.125 -4.878 78 HB3 LYS 14 2HB LYS 14 -8.984 4.820 -6.413 79 HG2 LYS 14 1HG LYS 14 -9.139 2.540 -6.199 80 HG3 LYS 14 2HG LYS 14 -9.227 2.603 -4.438 81 HD2 LYS 14 1HD LYS 14 -11.481 3.213 -4.455 82 HD3 LYS 14 2HD LYS 14 -11.420 3.742 -6.138 83 HE2 LYS 14 1HE LYS 14 -11.489 1.574 -6.954 84 HE3 LYS 14 2HE LYS 14 -10.897 0.880 -5.445 85 HZ1 LYS 14 3HZ LYS 14 -12.959 0.660 -4.682 86 HZ2 LYS 14 1HZ LYS 14 -13.499 0.990 -6.251 87 HZ3 LYS 14 2HZ LYS 14 -13.392 2.238 -5.114 88 H CYS 15 H CYS 15 -7.229 2.616 -3.341 89 HA CYS 15 HA CYS 15 -4.936 1.715 -4.824 90 HB2 CYS 15 1HB CYS 15 -5.100 1.407 -2.381 91 HB3 CYS 15 2HB CYS 15 -6.482 0.342 -2.615 92 H ASN 16 H ASN 16 -4.946 0.442 -6.549 93 HA ASN 16 HA ASN 16 -7.441 -0.783 -7.406 94 HB2 ASN 16 1HB ASN 16 -5.707 0.536 -8.872 95 HB3 ASN 16 2HB ASN 16 -4.875 -1.015 -8.936 96 HD21 ASN 16 1HD2 ASN 16 -6.870 0.868 -10.606 97 HD22 ASN 16 2HD2 ASN 16 -7.789 -0.316 -11.466 98 H GLU 17 H GLU 17 -5.542 -1.765 -5.177 99 HA GLU 17 HA GLU 17 -5.052 -4.474 -6.196 100 HB2 GLU 17 1HB GLU 17 -4.124 -3.350 -3.557 101 HB3 GLU 17 2HB GLU 17 -3.532 -4.781 -4.388 102 HG2 GLU 17 1HG GLU 17 -3.139 -1.913 -5.195 103 HG3 GLU 17 2HG GLU 17 -1.916 -3.043 -4.619 104 H CYS 18 H CYS 18 -6.214 -2.934 -3.193 105 HA CYS 18 HA CYS 18 -7.898 -5.295 -2.721 106 HB2 CYS 18 1HB CYS 18 -8.052 -4.461 -0.388 107 HB3 CYS 18 2HB CYS 18 -6.395 -4.783 -0.887 108 H GLY 19 H GLY 19 -8.002 -1.739 -2.597 109 HA2 GLY 19 1HA GLY 19 -10.011 -0.859 -3.878 110 HA3 GLY 19 2HA GLY 19 -10.940 -1.911 -2.821 111 H LYS 20 H LYS 20 -8.141 -0.128 -1.722 112 HA LYS 20 HA LYS 20 -9.821 1.267 0.202 113 HB2 LYS 20 1HB LYS 20 -6.887 0.752 -0.071 114 HB3 LYS 20 2HB LYS 20 -7.429 2.091 0.932 115 HG2 LYS 20 1HG LYS 20 -8.707 0.590 2.320 116 HG3 LYS 20 2HG LYS 20 -8.306 -0.770 1.269 117 HD2 LYS 20 1HD LYS 20 -6.102 -0.836 1.979 118 HD3 LYS 20 2HD LYS 20 -6.122 0.843 2.523 119 HE2 LYS 20 1HE LYS 20 -6.135 -0.396 4.502 120 HE3 LYS 20 2HE LYS 20 -7.823 0.055 4.270 121 HZ1 LYS 20 3HZ LYS 20 -6.584 -2.574 3.665 122 HZ2 LYS 20 1HZ LYS 20 -8.169 -2.155 3.250 123 HZ3 LYS 20 2HZ LYS 20 -7.715 -2.237 4.877 124 H VAL 21 H VAL 21 -9.162 3.598 0.696 125 HA VAL 21 HA VAL 21 -8.464 5.091 -1.728 126 HB VAL 21 HB VAL 21 -10.827 5.879 -0.030 127 HG11 VAL 21 1HG1 VAL 21 -9.681 7.665 -1.285 128 HG12 VAL 21 2HG1 VAL 21 -9.960 6.768 -2.779 129 HG13 VAL 21 3HG1 VAL 21 -11.327 7.389 -1.854 130 HG21 VAL 21 3HG2 VAL 21 -11.994 4.251 -1.006 131 HG22 VAL 21 1HG2 VAL 21 -11.774 5.113 -2.529 132 HG23 VAL 21 2HG2 VAL 21 -10.649 3.835 -2.068 133 H PHE 22 H PHE 22 -7.686 7.211 -1.350 134 HA PHE 22 HA PHE 22 -7.265 8.027 1.417 135 HB2 PHE 22 1HB PHE 22 -4.935 7.813 -0.493 136 HB3 PHE 22 2HB PHE 22 -4.884 8.232 1.216 137 HD1 PHE 22 HD2 PHE 22 -5.510 5.488 -1.170 138 HD2 PHE 22 HD1 PHE 22 -4.785 6.568 2.883 139 HE1 PHE 22 HE2 PHE 22 -5.160 3.119 -0.605 140 HE2 PHE 22 HE1 PHE 22 -4.433 4.201 3.454 141 HZ PHE 22 HZ PHE 22 -4.622 2.473 1.710 142 H THR 23 H THR 23 -6.206 10.224 1.509 143 HA THR 23 HA THR 23 -7.395 11.900 -0.576 144 HB THR 23 HB THR 23 -8.072 12.499 1.656 145 HG1 THR 23 HG1 THR 23 -7.683 14.260 0.255 146 HG21 THR 23 3HG2 THR 23 -5.235 12.072 2.241 147 HG22 THR 23 1HG2 THR 23 -6.641 11.945 3.298 148 HG23 THR 23 2HG2 THR 23 -5.909 13.519 2.990 149 H GLN 24 H GLN 24 -4.353 10.828 0.593 150 HA GLN 24 HA GLN 24 -3.002 12.762 -1.171 151 HB2 GLN 24 1HB GLN 24 -2.231 11.778 1.558 152 HB3 GLN 24 2HB GLN 24 -0.999 12.329 0.430 153 HG2 GLN 24 1HG GLN 24 -1.997 14.510 0.321 154 HG3 GLN 24 2HG GLN 24 -3.358 13.977 1.307 155 HE21 GLN 24 1HE2 GLN 24 0.188 13.834 1.492 156 HE22 GLN 24 2HE2 GLN 24 0.294 14.396 3.122 157 H ASN 25 H ASN 25 -1.344 11.997 -2.460 158 HA ASN 25 HA ASN 25 -1.502 9.287 -3.252 159 HB2 ASN 25 1HB ASN 25 0.573 9.893 -4.616 160 HB3 ASN 25 2HB ASN 25 -0.882 10.836 -4.928 161 HD21 ASN 25 1HD2 ASN 25 2.362 11.004 -4.384 162 HD22 ASN 25 2HD2 ASN 25 2.483 12.655 -3.890 163 H SER 26 H SER 26 0.964 11.106 -1.457 164 HA SER 26 HA SER 26 2.911 9.202 -1.164 165 HB2 SER 26 1HB SER 26 1.986 11.068 1.032 166 HB3 SER 26 2HB SER 26 3.585 10.341 0.872 167 HG SER 26 HG SER 26 3.785 11.513 -1.119 168 H HIS 27 H HIS 27 0.085 9.655 0.952 169 HA HIS 27 HA HIS 27 0.592 7.551 2.710 170 HB2 HIS 27 1HB HIS 27 -2.079 8.649 1.806 171 HB3 HIS 27 2HB HIS 27 -1.827 7.631 3.221 172 HD1 HIS 27 HD1 HIS 27 -2.920 10.649 3.160 173 HD2 HIS 27 HD2 HIS 27 0.889 9.391 4.241 174 HE1 HIS 27 HE1 HIS 27 -2.007 12.466 4.640 175 H LEU 28 H LEU 28 -1.321 7.580 -0.286 176 HA LEU 28 HA LEU 28 -2.170 4.920 -0.213 177 HB2 LEU 28 1HB LEU 28 -3.221 6.335 -1.756 178 HB3 LEU 28 2HB LEU 28 -1.688 6.855 -2.453 179 HG LEU 28 HG LEU 28 -1.422 4.584 -3.426 180 HD11 LEU 28 1HD1 LEU 28 -3.983 4.182 -1.983 181 HD12 LEU 28 2HD1 LEU 28 -2.649 3.063 -2.262 182 HD13 LEU 28 3HD1 LEU 28 -3.793 3.411 -3.558 183 HD21 LEU 28 3HD2 LEU 28 -3.353 6.615 -4.167 184 HD22 LEU 28 1HD2 LEU 28 -3.789 5.024 -4.792 185 HD23 LEU 28 2HD2 LEU 28 -2.213 5.718 -5.171 186 H ALA 29 H ALA 29 0.684 6.346 -1.787 187 HA ALA 29 HA ALA 29 1.741 4.088 -2.968 188 HB1 ALA 29 3HB ALA 29 3.840 5.209 -3.005 189 HB2 ALA 29 1HB ALA 29 2.588 6.439 -3.178 190 HB3 ALA 29 2HB ALA 29 3.397 6.215 -1.627 191 H ARG 30 H ARG 30 2.167 5.223 0.366 192 HA ARG 30 HA ARG 30 3.988 3.232 1.167 193 HB2 ARG 30 1HB ARG 30 1.994 4.815 2.797 194 HB3 ARG 30 2HB ARG 30 3.282 3.830 3.478 195 HG2 ARG 30 1HG ARG 30 4.877 5.277 2.110 196 HG3 ARG 30 2HG ARG 30 3.505 6.367 1.900 197 HD2 ARG 30 1HD ARG 30 4.711 7.170 3.770 198 HD3 ARG 30 2HD ARG 30 3.276 6.371 4.411 199 HE ARG 30 HE ARG 30 5.122 4.411 4.479 200 HH11 ARG 30 1HH1 ARG 30 5.132 7.703 5.608 201 HH12 ARG 30 2HH1 ARG 30 6.215 7.387 6.923 202 HH21 ARG 30 1HH2 ARG 30 6.549 3.981 6.205 203 HH22 ARG 30 2HH2 ARG 30 7.021 5.269 7.261 204 H HIS 31 H HIS 31 0.451 3.422 1.471 205 HA HIS 31 HA HIS 31 -0.044 1.103 2.866 206 HB2 HIS 31 1HB HIS 31 -1.892 2.503 2.434 207 HB3 HIS 31 2HB HIS 31 -1.603 2.492 0.696 208 HD1 HIS 31 HD1 HIS 31 -2.376 -0.173 3.315 209 HD2 HIS 31 HD2 HIS 31 -3.427 0.949 -0.544 210 HE1 HIS 31 HE1 HIS 31 -4.102 -1.846 2.575 211 H ARG 32 H ARG 32 0.079 1.425 -0.685 212 HA ARG 32 HA ARG 32 -0.383 -1.068 -1.554 213 HB2 ARG 32 1HB ARG 32 1.842 0.776 -2.428 214 HB3 ARG 32 2HB ARG 32 1.411 -0.691 -3.297 215 HG2 ARG 32 1HG ARG 32 -0.813 0.174 -3.713 216 HG3 ARG 32 2HG ARG 32 -0.444 1.622 -2.775 217 HD2 ARG 32 1HD ARG 32 -0.089 2.359 -4.930 218 HD3 ARG 32 2HD ARG 32 1.534 1.869 -4.447 219 HE ARG 32 HE ARG 32 1.437 0.127 -5.956 220 HH11 ARG 32 1HH1 ARG 32 -1.688 1.631 -5.658 221 HH12 ARG 32 2HH1 ARG 32 -2.358 0.811 -7.029 222 HH21 ARG 32 1HH2 ARG 32 0.566 -0.959 -7.763 223 HH22 ARG 32 2HH2 ARG 32 -1.076 -0.663 -8.225 224 H ARG 33 H ARG 33 2.364 -0.079 0.337 225 HA ARG 33 HA ARG 33 4.195 -2.075 -0.101 226 HB2 ARG 33 1HB ARG 33 3.417 -0.721 2.482 227 HB3 ARG 33 2HB ARG 33 4.805 -1.790 2.337 228 HG2 ARG 33 1HG ARG 33 4.447 0.651 0.624 229 HG3 ARG 33 2HG ARG 33 5.273 0.680 2.183 230 HD2 ARG 33 1HD ARG 33 6.043 -1.164 -0.069 231 HD3 ARG 33 2HD ARG 33 6.759 0.430 0.165 232 HE ARG 33 HE ARG 33 7.882 -0.366 2.039 233 HH11 ARG 33 1HH1 ARG 33 5.741 -2.782 0.736 234 HH12 ARG 33 2HH1 ARG 33 6.437 -4.079 1.651 235 HH21 ARG 33 1HH2 ARG 33 8.806 -2.064 3.248 236 HH22 ARG 33 2HH2 ARG 33 8.179 -3.669 3.080 237 H VAL 34 H VAL 34 1.402 -2.176 2.094 238 HA VAL 34 HA VAL 34 1.764 -4.637 3.261 239 HB VAL 34 HB VAL 34 -0.631 -4.761 3.585 240 HG11 VAL 34 1HG1 VAL 34 -0.984 -2.238 4.256 241 HG12 VAL 34 2HG1 VAL 34 0.171 -3.259 5.115 242 HG13 VAL 34 3HG1 VAL 34 0.736 -2.134 3.879 243 HG21 VAL 34 3HG2 VAL 34 -2.209 -3.745 2.301 244 HG22 VAL 34 1HG2 VAL 34 -1.181 -2.359 1.940 245 HG23 VAL 34 2HG2 VAL 34 -0.937 -3.883 1.087 246 H HIS 35 H HIS 35 0.941 -3.922 -0.022 247 HA HIS 35 HA HIS 35 0.053 -6.624 -0.599 248 HB2 HIS 35 1HB HIS 35 0.428 -4.170 -2.318 249 HB3 HIS 35 2HB HIS 35 -0.042 -5.736 -2.975 250 HD1 HIS 35 HD1 HIS 35 -2.428 -6.601 -2.377 251 HD2 HIS 35 HD2 HIS 35 -1.583 -2.771 -1.006 252 HE1 HIS 35 HE1 HIS 35 -4.646 -5.619 -1.714 253 H THR 36 H THR 36 2.881 -4.596 -1.095 254 HA THR 36 HA THR 36 4.234 -6.550 -2.727 255 HB THR 36 HB THR 36 6.198 -5.028 -2.503 256 HG1 THR 36 HG1 THR 36 5.576 -2.907 -1.525 257 HG21 THR 36 3HG2 THR 36 4.552 -4.738 -4.312 258 HG22 THR 36 1HG2 THR 36 5.254 -3.201 -3.808 259 HG23 THR 36 2HG2 THR 36 3.629 -3.644 -3.283 260 H GLY 37 H GLY 37 3.438 -7.746 -0.368 261 HA2 GLY 37 1HA GLY 37 5.733 -9.038 0.498 262 HA3 GLY 37 2HA GLY 37 5.452 -7.730 1.638 263 H GLY 38 H GLY 38 3.021 -9.669 -0.052 264 HA2 GLY 38 1HA GLY 38 2.223 -11.690 1.297 265 HA3 GLY 38 2HA GLY 38 2.028 -10.518 2.592 266 H LYS 39 H LYS 39 0.033 -12.225 1.283 267 HA LYS 39 HA LYS 39 -2.035 -10.293 1.030 268 HB2 LYS 39 1HB LYS 39 -1.004 -10.052 -1.204 269 HB3 LYS 39 2HB LYS 39 -1.259 -11.767 -1.494 270 HG2 LYS 39 1HG LYS 39 -3.718 -11.343 -1.173 271 HG3 LYS 39 2HG LYS 39 -3.339 -9.619 -1.192 272 HD2 LYS 39 1HD LYS 39 -3.998 -10.251 -3.403 273 HD3 LYS 39 2HD LYS 39 -2.256 -9.963 -3.420 274 HE2 LYS 39 1HE LYS 39 -1.797 -12.305 -3.400 275 HE3 LYS 39 2HE LYS 39 -3.490 -12.692 -3.098 276 HZ1 LYS 39 3HZ LYS 39 -3.323 -11.146 -5.432 277 HZ2 LYS 39 1HZ LYS 39 -3.834 -12.751 -5.269 278 HZ3 LYS 39 2HZ LYS 39 -2.203 -12.407 -5.558 279 HA PRO 40 HA PRO 40 -4.256 -13.866 2.346 280 HB2 PRO 40 1HB PRO 40 -6.778 -12.934 1.971 281 HB3 PRO 40 2HB PRO 40 -5.743 -12.398 3.301 282 HG2 PRO 40 1HG PRO 40 -6.307 -11.062 0.682 283 HG3 PRO 40 2HG PRO 40 -6.215 -10.351 2.304 284 HD2 PRO 40 1HD PRO 40 -4.178 -10.194 0.527 285 HD3 PRO 40 2HD PRO 40 -3.912 -10.282 2.280 286 H SER 41 H SER 41 -6.487 -14.957 1.495 287 HA SER 41 HA SER 41 -5.864 -15.770 -1.241 288 HB2 SER 41 1HB SER 41 -7.560 -17.002 0.932 289 HB3 SER 41 2HB SER 41 -7.542 -17.616 -0.721 290 HG SER 41 HG SER 41 -5.172 -17.725 -0.403 291 H GLY 42 H GLY 42 -6.722 -13.951 -2.331 292 HA2 GLY 42 1HA GLY 42 -8.934 -13.967 -3.678 293 HA3 GLY 42 2HA GLY 42 -9.631 -13.575 -2.114 294 HA PRO 43 HA PRO 43 -6.923 -9.826 -3.638 295 HB2 PRO 43 1HB PRO 43 -6.595 -9.720 -6.331 296 HB3 PRO 43 2HB PRO 43 -5.438 -10.509 -5.253 297 HG2 PRO 43 1HG PRO 43 -7.607 -11.726 -6.919 298 HG3 PRO 43 2HG PRO 43 -5.941 -12.280 -6.673 299 HD2 PRO 43 1HD PRO 43 -8.047 -13.369 -5.365 300 HD3 PRO 43 2HD PRO 43 -6.431 -13.250 -4.640 301 H SER 44 H SER 44 -9.831 -11.113 -4.597 302 HA SER 44 HA SER 44 -10.833 -8.911 -6.143 303 HB2 SER 44 1HB SER 44 -11.758 -11.146 -6.469 304 HB3 SER 44 2HB SER 44 -12.279 -11.199 -4.785 305 HG SER 44 HG SER 44 -13.315 -9.719 -6.929 306 H SER 45 H SER 45 -12.040 -7.198 -5.491 307 HA SER 45 HA SER 45 -11.720 -5.978 -3.107 308 HB2 SER 45 1HB SER 45 -12.795 -4.796 -4.892 309 HB3 SER 45 2HB SER 45 -14.154 -5.919 -4.898 310 HG SER 45 HG SER 45 -14.576 -5.159 -2.715 311 H GLY 46 H GLY 46 -12.050 -6.635 -1.094 312 HA2 GLY 46 1HA GLY 46 -14.631 -7.489 -0.203 313 HA3 GLY 46 2HA GLY 46 -13.487 -8.822 -0.251 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -26.751 -11.266 8.504 2 HA2 GLY 1 1HA GLY 1 -24.767 -10.340 9.374 3 HA3 GLY 1 2HA GLY 1 -24.159 -11.556 8.261 4 H SER 2 H SER 2 -22.665 -10.864 6.899 5 HA SER 2 HA SER 2 -21.721 -8.289 6.710 6 HB2 SER 2 1HB SER 2 -20.642 -10.433 5.846 7 HB3 SER 2 2HB SER 2 -21.621 -10.224 4.394 8 HG SER 2 HG SER 2 -19.313 -9.200 4.757 9 H SER 3 H SER 3 -21.878 -6.648 5.119 10 HA SER 3 HA SER 3 -24.120 -6.773 3.260 11 HB2 SER 3 1HB SER 3 -24.861 -5.817 5.544 12 HB3 SER 3 2HB SER 3 -23.906 -4.401 5.104 13 HG SER 3 HG SER 3 -25.598 -5.282 3.126 14 H GLY 4 H GLY 4 -24.103 -5.030 1.685 15 HA2 GLY 4 1HA GLY 4 -21.368 -4.006 1.274 16 HA3 GLY 4 2HA GLY 4 -22.511 -4.360 -0.013 17 H SER 5 H SER 5 -22.625 -2.425 2.981 18 HA SER 5 HA SER 5 -24.232 -0.410 1.752 19 HB2 SER 5 1HB SER 5 -22.890 -0.708 4.420 20 HB3 SER 5 2HB SER 5 -23.576 0.846 3.948 21 HG SER 5 HG SER 5 -25.580 -0.131 3.745 22 H SER 6 H SER 6 -23.621 1.880 1.636 23 HA SER 6 HA SER 6 -20.980 2.148 0.440 24 HB2 SER 6 1HB SER 6 -23.452 3.869 0.450 25 HB3 SER 6 2HB SER 6 -21.906 4.486 -0.133 26 HG SER 6 HG SER 6 -21.946 3.077 -1.784 27 H GLY 7 H GLY 7 -19.887 4.356 0.833 28 HA2 GLY 7 1HA GLY 7 -19.952 4.925 3.734 29 HA3 GLY 7 2HA GLY 7 -18.453 4.815 2.824 30 H THR 8 H THR 8 -18.130 6.978 3.794 31 HA THR 8 HA THR 8 -19.259 9.034 2.022 32 HB THR 8 HB THR 8 -19.294 10.625 3.944 33 HG1 THR 8 HG1 THR 8 -19.179 8.341 5.621 34 HG21 THR 8 3HG2 THR 8 -21.071 8.252 3.730 35 HG22 THR 8 1HG2 THR 8 -21.438 9.962 3.504 36 HG23 THR 8 2HG2 THR 8 -21.270 9.303 5.132 37 H GLY 9 H GLY 9 -17.590 9.758 0.868 38 HA2 GLY 9 1HA GLY 9 -15.657 11.369 1.256 39 HA3 GLY 9 2HA GLY 9 -14.984 10.061 2.218 40 H GLU 10 H GLU 10 -15.857 11.081 -1.028 41 HA GLU 10 HA GLU 10 -14.428 8.798 -2.169 42 HB2 GLU 10 1HB GLU 10 -16.399 10.779 -3.205 43 HB3 GLU 10 2HB GLU 10 -15.265 10.071 -4.347 44 HG2 GLU 10 1HG GLU 10 -17.031 8.453 -2.531 45 HG3 GLU 10 2HG GLU 10 -17.465 8.909 -4.178 46 H LYS 11 H LYS 11 -12.482 8.952 -3.114 47 HA LYS 11 HA LYS 11 -11.390 11.615 -3.688 48 HB2 LYS 11 1HB LYS 11 -10.164 9.486 -1.954 49 HB3 LYS 11 2HB LYS 11 -9.162 10.675 -2.777 50 HG2 LYS 11 1HG LYS 11 -9.444 11.692 -0.755 51 HG3 LYS 11 2HG LYS 11 -10.802 12.380 -1.647 52 HD2 LYS 11 1HD LYS 11 -12.359 11.089 -0.530 53 HD3 LYS 11 2HD LYS 11 -11.179 9.847 -0.107 54 HE2 LYS 11 1HE LYS 11 -10.091 11.611 1.369 55 HE3 LYS 11 2HE LYS 11 -11.551 12.567 1.121 56 HZ1 LYS 11 3HZ LYS 11 -12.168 11.461 2.977 57 HZ2 LYS 11 1HZ LYS 11 -11.167 10.131 2.675 58 HZ3 LYS 11 2HZ LYS 11 -12.640 10.283 1.858 59 HA PRO 12 HA PRO 12 -9.909 9.860 -7.427 60 HB2 PRO 12 1HB PRO 12 -7.590 11.222 -7.798 61 HB3 PRO 12 2HB PRO 12 -9.182 11.963 -8.000 62 HG2 PRO 12 1HG PRO 12 -7.314 12.097 -5.665 63 HG3 PRO 12 2HG PRO 12 -8.270 13.392 -6.408 64 HD2 PRO 12 1HD PRO 12 -9.036 12.138 -4.134 65 HD3 PRO 12 2HD PRO 12 -10.201 12.765 -5.318 66 H TYR 13 H TYR 13 -7.873 9.773 -4.603 67 HA TYR 13 HA TYR 13 -6.039 7.858 -5.807 68 HB2 TYR 13 1HB TYR 13 -6.084 8.899 -2.969 69 HB3 TYR 13 2HB TYR 13 -4.766 8.041 -3.759 70 HD1 TYR 13 HD2 TYR 13 -6.522 11.240 -3.461 71 HD2 TYR 13 HD1 TYR 13 -3.326 9.168 -5.358 72 HE1 TYR 13 HE2 TYR 13 -5.570 13.387 -4.190 73 HE2 TYR 13 HE1 TYR 13 -2.365 11.309 -6.091 74 HH TYR 13 HH TYR 13 -2.984 13.574 -6.464 75 H LYS 14 H LYS 14 -6.822 5.857 -5.986 76 HA LYS 14 HA LYS 14 -7.858 4.567 -3.567 77 HB2 LYS 14 1HB LYS 14 -9.870 5.077 -4.724 78 HB3 LYS 14 2HB LYS 14 -9.186 4.600 -6.272 79 HG2 LYS 14 1HG LYS 14 -9.004 2.257 -5.243 80 HG3 LYS 14 2HG LYS 14 -10.116 2.867 -4.015 81 HD2 LYS 14 1HD LYS 14 -11.590 3.598 -5.975 82 HD3 LYS 14 2HD LYS 14 -10.569 2.557 -6.970 83 HE2 LYS 14 1HE LYS 14 -11.102 0.671 -5.451 84 HE3 LYS 14 2HE LYS 14 -12.207 1.730 -4.576 85 HZ1 LYS 14 3HZ LYS 14 -13.725 0.981 -6.008 86 HZ2 LYS 14 1HZ LYS 14 -12.570 0.373 -7.085 87 HZ3 LYS 14 2HZ LYS 14 -13.005 2.007 -7.144 88 H CYS 15 H CYS 15 -7.120 2.539 -3.252 89 HA CYS 15 HA CYS 15 -5.096 1.552 -5.065 90 HB2 CYS 15 1HB CYS 15 -4.726 1.470 -2.639 91 HB3 CYS 15 2HB CYS 15 -6.124 0.416 -2.455 92 H ASN 16 H ASN 16 -5.423 0.122 -6.629 93 HA ASN 16 HA ASN 16 -8.008 -1.139 -6.919 94 HB2 ASN 16 1HB ASN 16 -6.677 -2.133 -8.997 95 HB3 ASN 16 2HB ASN 16 -7.300 -0.486 -9.002 96 HD21 ASN 16 1HD2 ASN 16 -4.426 -2.226 -7.853 97 HD22 ASN 16 2HD2 ASN 16 -3.284 -1.066 -8.433 98 H GLU 17 H GLU 17 -5.107 -1.922 -5.424 99 HA GLU 17 HA GLU 17 -4.957 -4.701 -5.957 100 HB2 GLU 17 1HB GLU 17 -4.002 -3.356 -3.434 101 HB3 GLU 17 2HB GLU 17 -3.365 -4.807 -4.195 102 HG2 GLU 17 1HG GLU 17 -3.230 -2.050 -5.391 103 HG3 GLU 17 2HG GLU 17 -1.928 -2.822 -4.488 104 H CYS 18 H CYS 18 -6.352 -2.858 -3.254 105 HA CYS 18 HA CYS 18 -7.878 -5.269 -2.516 106 HB2 CYS 18 1HB CYS 18 -7.978 -4.278 -0.216 107 HB3 CYS 18 2HB CYS 18 -6.358 -4.732 -0.735 108 H GLY 19 H GLY 19 -7.963 -1.733 -2.737 109 HA2 GLY 19 1HA GLY 19 -9.972 -0.839 -3.891 110 HA3 GLY 19 2HA GLY 19 -10.910 -1.917 -2.868 111 H LYS 20 H LYS 20 -8.151 0.001 -1.821 112 HA LYS 20 HA LYS 20 -9.887 1.322 0.128 113 HB2 LYS 20 1HB LYS 20 -6.945 0.807 -0.059 114 HB3 LYS 20 2HB LYS 20 -7.520 2.134 0.941 115 HG2 LYS 20 1HG LYS 20 -9.070 0.373 2.004 116 HG3 LYS 20 2HG LYS 20 -7.983 -0.803 1.262 117 HD2 LYS 20 1HD LYS 20 -6.088 0.208 2.429 118 HD3 LYS 20 2HD LYS 20 -7.166 1.400 3.158 119 HE2 LYS 20 1HE LYS 20 -7.494 -1.571 3.520 120 HE3 LYS 20 2HE LYS 20 -6.554 -0.562 4.617 121 HZ1 LYS 20 3HZ LYS 20 -9.071 0.620 4.216 122 HZ2 LYS 20 1HZ LYS 20 -8.410 0.009 5.649 123 HZ3 LYS 20 2HZ LYS 20 -9.304 -1.003 4.631 124 H VAL 21 H VAL 21 -9.104 3.650 0.680 125 HA VAL 21 HA VAL 21 -8.391 5.152 -1.728 126 HB VAL 21 HB VAL 21 -10.785 5.910 -0.053 127 HG11 VAL 21 1HG1 VAL 21 -9.562 7.747 -1.177 128 HG12 VAL 21 2HG1 VAL 21 -9.849 6.949 -2.725 129 HG13 VAL 21 3HG1 VAL 21 -11.209 7.544 -1.772 130 HG21 VAL 21 3HG2 VAL 21 -11.353 3.892 -1.217 131 HG22 VAL 21 1HG2 VAL 21 -12.118 5.245 -2.051 132 HG23 VAL 21 2HG2 VAL 21 -10.663 4.507 -2.719 133 H PHE 22 H PHE 22 -7.630 7.286 -1.313 134 HA PHE 22 HA PHE 22 -7.206 8.047 1.467 135 HB2 PHE 22 1HB PHE 22 -4.891 7.787 -0.461 136 HB3 PHE 22 2HB PHE 22 -4.807 8.300 1.221 137 HD1 PHE 22 HD2 PHE 22 -5.607 5.424 -0.969 138 HD2 PHE 22 HD1 PHE 22 -4.573 6.738 2.945 139 HE1 PHE 22 HE2 PHE 22 -5.260 3.088 -0.280 140 HE2 PHE 22 HE1 PHE 22 -4.224 4.403 3.640 141 HZ PHE 22 HZ PHE 22 -4.569 2.575 2.028 142 H THR 23 H THR 23 -6.150 10.240 1.605 143 HA THR 23 HA THR 23 -7.442 11.990 -0.316 144 HB THR 23 HB THR 23 -7.648 12.518 2.065 145 HG1 THR 23 HG1 THR 23 -6.467 14.732 1.778 146 HG21 THR 23 3HG2 THR 23 -4.795 13.351 2.223 147 HG22 THR 23 1HG2 THR 23 -5.177 11.643 2.434 148 HG23 THR 23 2HG2 THR 23 -5.896 12.845 3.505 149 H GLN 24 H GLN 24 -4.166 11.306 0.851 150 HA GLN 24 HA GLN 24 -3.104 12.905 -1.380 151 HB2 GLN 24 1HB GLN 24 -1.856 12.121 1.255 152 HB3 GLN 24 2HB GLN 24 -0.960 12.877 -0.056 153 HG2 GLN 24 1HG GLN 24 -2.927 14.647 0.137 154 HG3 GLN 24 2HG GLN 24 -2.968 14.029 1.787 155 HE21 GLN 24 1HE2 GLN 24 -1.110 15.749 -0.588 156 HE22 GLN 24 2HE2 GLN 24 0.080 16.374 0.496 157 H ASN 25 H ASN 25 -1.199 12.081 -2.479 158 HA ASN 25 HA ASN 25 -1.494 9.324 -3.161 159 HB2 ASN 25 1HB ASN 25 0.321 9.721 -4.741 160 HB3 ASN 25 2HB ASN 25 -0.843 11.041 -4.815 161 HD21 ASN 25 1HD2 ASN 25 2.186 10.639 -5.264 162 HD22 ASN 25 2HD2 ASN 25 2.877 12.016 -4.481 163 H SER 26 H SER 26 0.966 11.204 -1.437 164 HA SER 26 HA SER 26 2.945 9.368 -1.067 165 HB2 SER 26 1HB SER 26 3.022 11.682 -0.201 166 HB3 SER 26 2HB SER 26 1.875 11.238 1.063 167 HG SER 26 HG SER 26 4.062 11.162 1.776 168 H HIS 27 H HIS 27 -0.025 9.658 0.858 169 HA HIS 27 HA HIS 27 0.523 7.594 2.674 170 HB2 HIS 27 1HB HIS 27 -2.198 8.450 1.669 171 HB3 HIS 27 2HB HIS 27 -1.848 7.621 3.184 172 HD1 HIS 27 HD1 HIS 27 -3.051 10.654 2.463 173 HD2 HIS 27 HD2 HIS 27 0.504 9.575 4.324 174 HE1 HIS 27 HE1 HIS 27 -2.364 12.660 3.815 175 H LEU 28 H LEU 28 -1.479 7.515 -0.277 176 HA LEU 28 HA LEU 28 -2.106 4.817 -0.259 177 HB2 LEU 28 1HB LEU 28 -3.241 6.159 -1.800 178 HB3 LEU 28 2HB LEU 28 -1.746 6.802 -2.476 179 HG LEU 28 HG LEU 28 -1.305 4.568 -3.476 180 HD11 LEU 28 1HD1 LEU 28 -3.817 3.415 -3.556 181 HD12 LEU 28 2HD1 LEU 28 -3.618 3.887 -1.868 182 HD13 LEU 28 3HD1 LEU 28 -2.426 2.840 -2.637 183 HD21 LEU 28 3HD2 LEU 28 -3.098 6.568 -4.294 184 HD22 LEU 28 1HD2 LEU 28 -3.862 5.028 -4.687 185 HD23 LEU 28 2HD2 LEU 28 -2.252 5.396 -5.305 186 H ALA 29 H ALA 29 0.712 6.435 -1.681 187 HA ALA 29 HA ALA 29 1.912 4.314 -2.965 188 HB1 ALA 29 3HB ALA 29 3.693 5.672 -3.193 189 HB2 ALA 29 1HB ALA 29 2.606 6.882 -2.511 190 HB3 ALA 29 2HB ALA 29 3.762 6.047 -1.471 191 H ARG 30 H ARG 30 2.264 5.256 0.447 192 HA ARG 30 HA ARG 30 4.043 3.167 1.129 193 HB2 ARG 30 1HB ARG 30 2.165 4.790 2.854 194 HB3 ARG 30 2HB ARG 30 3.407 3.712 3.477 195 HG2 ARG 30 1HG ARG 30 5.021 5.145 2.047 196 HG3 ARG 30 2HG ARG 30 3.710 6.325 2.066 197 HD2 ARG 30 1HD ARG 30 3.740 5.844 4.645 198 HD3 ARG 30 2HD ARG 30 5.384 5.302 4.312 199 HE ARG 30 HE ARG 30 6.002 7.486 3.897 200 HH11 ARG 30 1HH1 ARG 30 2.543 7.256 4.216 201 HH12 ARG 30 2HH1 ARG 30 2.306 8.970 4.302 202 HH21 ARG 30 1HH2 ARG 30 5.703 9.744 4.009 203 HH22 ARG 30 2HH2 ARG 30 4.104 10.384 4.183 204 H HIS 31 H HIS 31 0.523 3.501 1.423 205 HA HIS 31 HA HIS 31 -0.121 1.224 2.801 206 HB2 HIS 31 1HB HIS 31 -1.889 2.687 2.246 207 HB3 HIS 31 2HB HIS 31 -1.526 2.608 0.525 208 HD1 HIS 31 HD1 HIS 31 -2.763 0.282 3.270 209 HD2 HIS 31 HD2 HIS 31 -3.099 0.870 -0.829 210 HE1 HIS 31 HE1 HIS 31 -4.454 -1.405 2.485 211 H ARG 32 H ARG 32 0.232 1.473 -0.738 212 HA ARG 32 HA ARG 32 -0.295 -1.002 -1.610 213 HB2 ARG 32 1HB ARG 32 2.141 0.630 -2.340 214 HB3 ARG 32 2HB ARG 32 1.564 -0.755 -3.257 215 HG2 ARG 32 1HG ARG 32 -0.427 0.369 -3.875 216 HG3 ARG 32 2HG ARG 32 -0.124 1.673 -2.725 217 HD2 ARG 32 1HD ARG 32 0.392 2.381 -4.997 218 HD3 ARG 32 2HD ARG 32 1.849 2.342 -4.005 219 HE ARG 32 HE ARG 32 1.689 -0.114 -5.268 220 HH11 ARG 32 1HH1 ARG 32 1.982 3.230 -6.188 221 HH12 ARG 32 2HH1 ARG 32 2.860 2.889 -7.642 222 HH21 ARG 32 1HH2 ARG 32 2.845 -0.577 -7.179 223 HH22 ARG 32 2HH2 ARG 32 3.350 0.722 -8.205 224 H ARG 33 H ARG 33 2.503 -0.102 0.309 225 HA ARG 33 HA ARG 33 4.216 -2.173 0.093 226 HB2 ARG 33 1HB ARG 33 3.253 -0.740 2.556 227 HB3 ARG 33 2HB ARG 33 4.500 -1.976 2.646 228 HG2 ARG 33 1HG ARG 33 5.826 -0.658 0.998 229 HG3 ARG 33 2HG ARG 33 4.614 0.618 1.128 230 HD2 ARG 33 1HD ARG 33 5.050 0.595 3.620 231 HD3 ARG 33 2HD ARG 33 6.440 -0.433 3.276 232 HE ARG 33 HE ARG 33 6.344 2.056 1.803 233 HH11 ARG 33 1HH1 ARG 33 7.495 0.380 4.629 234 HH12 ARG 33 2HH1 ARG 33 8.790 1.493 4.922 235 HH21 ARG 33 1HH2 ARG 33 8.046 3.528 2.177 236 HH22 ARG 33 2HH2 ARG 33 9.102 3.283 3.527 237 H VAL 34 H VAL 34 1.198 -2.229 1.959 238 HA VAL 34 HA VAL 34 1.313 -4.650 3.194 239 HB VAL 34 HB VAL 34 -1.107 -4.803 3.030 240 HG11 VAL 34 1HG1 VAL 34 -1.645 -2.372 3.692 241 HG12 VAL 34 2HG1 VAL 34 -0.477 -3.269 4.665 242 HG13 VAL 34 3HG1 VAL 34 0.083 -2.090 3.479 243 HG21 VAL 34 3HG2 VAL 34 -2.385 -3.237 1.636 244 HG22 VAL 34 1HG2 VAL 34 -0.877 -2.630 0.950 245 HG23 VAL 34 2HG2 VAL 34 -1.367 -4.300 0.664 246 H HIS 35 H HIS 35 0.544 -4.063 -0.210 247 HA HIS 35 HA HIS 35 0.185 -6.881 -0.748 248 HB2 HIS 35 1HB HIS 35 0.354 -4.569 -2.691 249 HB3 HIS 35 2HB HIS 35 -0.226 -6.193 -3.047 250 HD1 HIS 35 HD1 HIS 35 -2.580 -6.834 -2.149 251 HD2 HIS 35 HD2 HIS 35 -1.474 -2.895 -1.423 252 HE1 HIS 35 HE1 HIS 35 -4.693 -5.658 -1.458 253 H THR 36 H THR 36 2.418 -7.293 0.147 254 HA THR 36 HA THR 36 4.339 -7.248 -2.076 255 HB THR 36 HB THR 36 6.154 -7.019 -0.261 256 HG1 THR 36 HG1 THR 36 4.788 -5.429 1.338 257 HG21 THR 36 3HG2 THR 36 4.380 -4.670 -0.937 258 HG22 THR 36 1HG2 THR 36 5.709 -5.287 -1.917 259 HG23 THR 36 2HG2 THR 36 6.037 -4.561 -0.343 260 H GLY 37 H GLY 37 2.598 -9.359 -1.302 261 HA2 GLY 37 1HA GLY 37 4.225 -11.562 -1.384 262 HA3 GLY 37 2HA GLY 37 4.017 -11.241 0.331 263 H GLY 38 H GLY 38 2.210 -11.937 1.330 264 HA2 GLY 38 1HA GLY 38 -0.209 -12.483 -0.156 265 HA3 GLY 38 2HA GLY 38 0.624 -13.922 0.411 266 H LYS 39 H LYS 39 -1.885 -13.548 1.279 267 HA LYS 39 HA LYS 39 -1.486 -12.821 4.100 268 HB2 LYS 39 1HB LYS 39 -3.751 -11.882 4.180 269 HB3 LYS 39 2HB LYS 39 -2.737 -11.012 3.035 270 HG2 LYS 39 1HG LYS 39 -3.787 -12.129 1.181 271 HG3 LYS 39 2HG LYS 39 -4.720 -13.148 2.279 272 HD2 LYS 39 1HD LYS 39 -5.617 -10.916 3.221 273 HD3 LYS 39 2HD LYS 39 -5.004 -10.215 1.721 274 HE2 LYS 39 1HE LYS 39 -7.283 -10.741 1.341 275 HE3 LYS 39 2HE LYS 39 -6.338 -11.963 0.493 276 HZ1 LYS 39 3HZ LYS 39 -7.246 -13.561 1.713 277 HZ2 LYS 39 1HZ LYS 39 -8.340 -12.416 2.308 278 HZ3 LYS 39 2HZ LYS 39 -6.923 -12.756 3.166 279 HA PRO 40 HA PRO 40 -3.223 -16.741 5.048 280 HB2 PRO 40 1HB PRO 40 -4.405 -16.215 7.435 281 HB3 PRO 40 2HB PRO 40 -2.652 -16.326 7.235 282 HG2 PRO 40 1HG PRO 40 -4.393 -13.894 7.366 283 HG3 PRO 40 2HG PRO 40 -2.822 -14.189 8.134 284 HD2 PRO 40 1HD PRO 40 -3.085 -12.728 5.870 285 HD3 PRO 40 2HD PRO 40 -1.649 -13.716 6.207 286 H SER 41 H SER 41 -4.876 -17.480 3.861 287 HA SER 41 HA SER 41 -7.423 -16.068 3.839 288 HB2 SER 41 1HB SER 41 -6.552 -16.811 1.692 289 HB3 SER 41 2HB SER 41 -6.455 -18.473 2.274 290 HG SER 41 HG SER 41 -8.373 -18.534 1.361 291 H GLY 42 H GLY 42 -6.074 -19.179 4.826 292 HA2 GLY 42 1HA GLY 42 -8.132 -20.774 5.396 293 HA3 GLY 42 2HA GLY 42 -6.832 -20.542 6.556 294 HA PRO 43 HA PRO 43 -9.508 -18.644 9.459 295 HB2 PRO 43 1HB PRO 43 -8.211 -16.395 10.251 296 HB3 PRO 43 2HB PRO 43 -7.676 -18.019 10.696 297 HG2 PRO 43 1HG PRO 43 -6.663 -16.218 8.530 298 HG3 PRO 43 2HG PRO 43 -5.748 -17.225 9.667 299 HD2 PRO 43 1HD PRO 43 -6.218 -17.976 7.108 300 HD3 PRO 43 2HD PRO 43 -6.091 -19.145 8.438 301 H SER 44 H SER 44 -8.180 -16.049 7.394 302 HA SER 44 HA SER 44 -9.167 -14.055 6.757 303 HB2 SER 44 1HB SER 44 -10.930 -14.467 5.098 304 HB3 SER 44 2HB SER 44 -9.631 -15.648 4.936 305 HG SER 44 HG SER 44 -11.466 -16.830 4.901 306 H SER 45 H SER 45 -9.806 -14.503 9.423 307 HA SER 45 HA SER 45 -12.530 -14.482 10.048 308 HB2 SER 45 1HB SER 45 -11.862 -13.541 12.204 309 HB3 SER 45 2HB SER 45 -10.735 -14.808 11.718 310 HG SER 45 HG SER 45 -9.788 -12.788 12.525 311 H GLY 46 H GLY 46 -10.295 -11.753 9.556 312 HA2 GLY 46 1HA GLY 46 -12.658 -10.003 9.275 313 HA3 GLY 46 2HA GLY 46 -11.088 -9.457 9.846 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -24.270 -7.481 3.662 2 HA2 GLY 1 1HA GLY 1 -22.868 -9.400 2.076 3 HA3 GLY 1 2HA GLY 1 -22.847 -7.809 1.329 4 H SER 2 H SER 2 -21.103 -6.657 1.773 5 HA SER 2 HA SER 2 -19.547 -7.303 4.166 6 HB2 SER 2 1HB SER 2 -18.650 -7.061 1.682 7 HB3 SER 2 2HB SER 2 -18.583 -5.353 2.117 8 HG SER 2 HG SER 2 -17.506 -6.459 4.136 9 H SER 3 H SER 3 -18.574 -5.528 5.400 10 HA SER 3 HA SER 3 -20.435 -3.254 5.610 11 HB2 SER 3 1HB SER 3 -20.192 -4.911 7.563 12 HB3 SER 3 2HB SER 3 -18.601 -4.191 7.812 13 HG SER 3 HG SER 3 -20.960 -2.637 7.660 14 H GLY 4 H GLY 4 -19.616 -1.168 5.952 15 HA2 GLY 4 1HA GLY 4 -17.618 -0.205 4.465 16 HA3 GLY 4 2HA GLY 4 -18.003 0.509 6.024 17 H SER 5 H SER 5 -15.608 -0.912 4.184 18 HA SER 5 HA SER 5 -14.082 -1.887 6.476 19 HB2 SER 5 1HB SER 5 -13.961 -3.360 4.615 20 HB3 SER 5 2HB SER 5 -13.647 -2.037 3.492 21 HG SER 5 HG SER 5 -11.879 -2.648 5.610 22 H SER 6 H SER 6 -13.481 0.264 3.691 23 HA SER 6 HA SER 6 -12.461 2.381 5.248 24 HB2 SER 6 1HB SER 6 -10.534 1.078 5.714 25 HB3 SER 6 2HB SER 6 -10.438 0.486 4.056 26 HG SER 6 HG SER 6 -8.910 2.159 4.535 27 H GLY 7 H GLY 7 -12.316 4.218 4.053 28 HA2 GLY 7 1HA GLY 7 -11.842 5.412 2.030 29 HA3 GLY 7 2HA GLY 7 -12.230 3.957 1.124 30 H THR 8 H THR 8 -13.587 6.613 2.991 31 HA THR 8 HA THR 8 -16.139 6.193 1.577 32 HB THR 8 HB THR 8 -15.886 7.348 4.357 33 HG1 THR 8 HG1 THR 8 -15.429 5.209 4.609 34 HG21 THR 8 3HG2 THR 8 -18.376 6.215 3.151 35 HG22 THR 8 1HG2 THR 8 -17.874 7.853 2.734 36 HG23 THR 8 2HG2 THR 8 -18.196 7.430 4.416 37 H GLY 9 H GLY 9 -15.635 7.675 -0.047 38 HA2 GLY 9 1HA GLY 9 -16.445 10.278 0.237 39 HA3 GLY 9 2HA GLY 9 -14.716 10.324 0.548 40 H GLU 10 H GLU 10 -14.626 11.718 -1.339 41 HA GLU 10 HA GLU 10 -14.605 10.154 -3.836 42 HB2 GLU 10 1HB GLU 10 -15.391 13.047 -3.458 43 HB3 GLU 10 2HB GLU 10 -15.142 12.288 -5.024 44 HG2 GLU 10 1HG GLU 10 -16.925 10.631 -4.371 45 HG3 GLU 10 2HG GLU 10 -17.268 11.676 -2.994 46 H LYS 11 H LYS 11 -12.389 9.691 -3.486 47 HA LYS 11 HA LYS 11 -10.615 11.994 -3.971 48 HB2 LYS 11 1HB LYS 11 -9.984 9.507 -2.370 49 HB3 LYS 11 2HB LYS 11 -8.866 10.824 -2.701 50 HG2 LYS 11 1HG LYS 11 -9.903 12.258 -1.237 51 HG3 LYS 11 2HG LYS 11 -11.450 11.414 -1.339 52 HD2 LYS 11 1HD LYS 11 -10.203 9.457 -0.212 53 HD3 LYS 11 2HD LYS 11 -8.991 10.670 0.209 54 HE2 LYS 11 1HE LYS 11 -10.503 11.885 1.524 55 HE3 LYS 11 2HE LYS 11 -11.902 11.080 0.814 56 HZ1 LYS 11 3HZ LYS 11 -11.741 10.008 2.809 57 HZ2 LYS 11 1HZ LYS 11 -10.054 10.118 2.879 58 HZ3 LYS 11 2HZ LYS 11 -10.785 8.984 1.859 59 HA PRO 12 HA PRO 12 -9.387 9.880 -7.637 60 HB2 PRO 12 1HB PRO 12 -7.019 11.140 -8.062 61 HB3 PRO 12 2HB PRO 12 -8.583 11.910 -8.352 62 HG2 PRO 12 1HG PRO 12 -6.755 12.165 -5.996 63 HG3 PRO 12 2HG PRO 12 -7.655 13.428 -6.855 64 HD2 PRO 12 1HD PRO 12 -8.502 12.376 -4.508 65 HD3 PRO 12 2HD PRO 12 -9.625 12.945 -5.760 66 H TYR 13 H TYR 13 -7.615 9.779 -4.697 67 HA TYR 13 HA TYR 13 -5.698 7.830 -5.724 68 HB2 TYR 13 1HB TYR 13 -5.870 8.744 -2.865 69 HB3 TYR 13 2HB TYR 13 -4.470 8.143 -3.747 70 HD1 TYR 13 HD1 TYR 13 -3.331 9.603 -5.398 71 HD2 TYR 13 HD2 TYR 13 -6.468 11.054 -2.916 72 HE1 TYR 13 HE1 TYR 13 -2.648 11.913 -5.895 73 HE2 TYR 13 HE2 TYR 13 -5.794 13.368 -3.407 74 HH TYR 13 HH TYR 13 -2.952 14.069 -5.406 75 H LYS 14 H LYS 14 -6.515 5.842 -5.916 76 HA LYS 14 HA LYS 14 -7.744 4.630 -3.550 77 HB2 LYS 14 1HB LYS 14 -9.655 5.194 -4.866 78 HB3 LYS 14 2HB LYS 14 -8.893 4.609 -6.339 79 HG2 LYS 14 1HG LYS 14 -8.887 2.316 -5.220 80 HG3 LYS 14 2HG LYS 14 -10.009 3.022 -4.055 81 HD2 LYS 14 1HD LYS 14 -11.676 3.304 -5.635 82 HD3 LYS 14 2HD LYS 14 -10.538 3.301 -6.984 83 HE2 LYS 14 1HE LYS 14 -10.110 0.884 -6.507 84 HE3 LYS 14 2HE LYS 14 -11.415 0.943 -5.324 85 HZ1 LYS 14 3HZ LYS 14 -11.574 1.198 -8.258 86 HZ2 LYS 14 1HZ LYS 14 -12.799 1.824 -7.273 87 HZ3 LYS 14 2HZ LYS 14 -12.443 0.171 -7.232 88 H CYS 15 H CYS 15 -7.200 2.522 -3.209 89 HA CYS 15 HA CYS 15 -4.989 1.489 -4.738 90 HB2 CYS 15 1HB CYS 15 -5.131 1.292 -2.257 91 HB3 CYS 15 2HB CYS 15 -6.493 0.193 -2.456 92 H ASN 16 H ASN 16 -5.094 0.120 -6.389 93 HA ASN 16 HA ASN 16 -7.671 -1.038 -7.101 94 HB2 ASN 16 1HB ASN 16 -5.053 -0.770 -8.580 95 HB3 ASN 16 2HB ASN 16 -6.413 -1.691 -9.216 96 HD21 ASN 16 1HD2 ASN 16 -4.915 1.121 -9.521 97 HD22 ASN 16 2HD2 ASN 16 -6.235 2.152 -9.945 98 H GLU 17 H GLU 17 -5.678 -2.000 -4.944 99 HA GLU 17 HA GLU 17 -5.290 -4.746 -5.904 100 HB2 GLU 17 1HB GLU 17 -4.247 -3.589 -3.324 101 HB3 GLU 17 2HB GLU 17 -3.699 -5.034 -4.162 102 HG2 GLU 17 1HG GLU 17 -3.300 -2.175 -4.993 103 HG3 GLU 17 2HG GLU 17 -2.072 -3.333 -4.485 104 H CYS 18 H CYS 18 -6.529 -2.974 -3.077 105 HA CYS 18 HA CYS 18 -8.157 -5.337 -2.413 106 HB2 CYS 18 1HB CYS 18 -8.252 -4.409 -0.112 107 HB3 CYS 18 2HB CYS 18 -6.612 -4.784 -0.630 108 H GLY 19 H GLY 19 -8.197 -1.780 -2.453 109 HA2 GLY 19 1HA GLY 19 -10.188 -0.869 -3.696 110 HA3 GLY 19 2HA GLY 19 -11.141 -1.920 -2.660 111 H LYS 20 H LYS 20 -8.363 0.101 -1.799 112 HA LYS 20 HA LYS 20 -10.080 1.465 0.159 113 HB2 LYS 20 1HB LYS 20 -7.137 0.867 0.078 114 HB3 LYS 20 2HB LYS 20 -7.762 2.148 1.108 115 HG2 LYS 20 1HG LYS 20 -9.333 0.392 2.068 116 HG3 LYS 20 2HG LYS 20 -8.314 -0.796 1.251 117 HD2 LYS 20 1HD LYS 20 -6.350 0.191 2.451 118 HD3 LYS 20 2HD LYS 20 -7.486 1.178 3.374 119 HE2 LYS 20 1HE LYS 20 -6.960 -0.740 4.690 120 HE3 LYS 20 2HE LYS 20 -8.608 -0.937 4.095 121 HZ1 LYS 20 3HZ LYS 20 -7.298 -2.176 2.174 122 HZ2 LYS 20 1HZ LYS 20 -7.803 -2.970 3.580 123 HZ3 LYS 20 2HZ LYS 20 -6.202 -2.444 3.434 124 H VAL 21 H VAL 21 -9.311 3.762 0.670 125 HA VAL 21 HA VAL 21 -8.386 5.170 -1.730 126 HB VAL 21 HB VAL 21 -10.760 6.169 -0.168 127 HG11 VAL 21 1HG1 VAL 21 -9.749 6.855 -2.926 128 HG12 VAL 21 2HG1 VAL 21 -11.085 7.625 -2.068 129 HG13 VAL 21 3HG1 VAL 21 -9.435 7.799 -1.470 130 HG21 VAL 21 3HG2 VAL 21 -10.650 4.042 -2.143 131 HG22 VAL 21 1HG2 VAL 21 -11.976 4.543 -1.093 132 HG23 VAL 21 2HG2 VAL 21 -11.713 5.361 -2.633 133 H PHE 22 H PHE 22 -7.520 7.261 -1.334 134 HA PHE 22 HA PHE 22 -7.128 8.020 1.462 135 HB2 PHE 22 1HB PHE 22 -4.800 7.839 -0.452 136 HB3 PHE 22 2HB PHE 22 -4.748 8.181 1.275 137 HD1 PHE 22 HD2 PHE 22 -5.583 5.542 -1.192 138 HD2 PHE 22 HD1 PHE 22 -4.509 6.456 2.824 139 HE1 PHE 22 HE2 PHE 22 -5.273 3.145 -0.733 140 HE2 PHE 22 HE1 PHE 22 -4.197 4.060 3.289 141 HZ PHE 22 HZ PHE 22 -4.580 2.401 1.510 142 H THR 23 H THR 23 -6.546 10.212 1.771 143 HA THR 23 HA THR 23 -7.538 11.950 -0.315 144 HB THR 23 HB THR 23 -8.225 12.458 1.936 145 HG1 THR 23 HG1 THR 23 -8.091 14.419 1.131 146 HG21 THR 23 3HG2 THR 23 -5.933 13.453 3.203 147 HG22 THR 23 1HG2 THR 23 -5.467 11.884 2.547 148 HG23 THR 23 2HG2 THR 23 -6.850 12.009 3.634 149 H GLN 24 H GLN 24 -4.483 10.885 0.849 150 HA GLN 24 HA GLN 24 -3.149 12.892 -0.845 151 HB2 GLN 24 1HB GLN 24 -2.321 11.767 1.820 152 HB3 GLN 24 2HB GLN 24 -1.151 12.485 0.722 153 HG2 GLN 24 1HG GLN 24 -3.572 13.872 1.851 154 HG3 GLN 24 2HG GLN 24 -1.914 14.066 2.418 155 HE21 GLN 24 1HE2 GLN 24 -4.138 14.674 -0.202 156 HE22 GLN 24 2HE2 GLN 24 -3.204 15.907 -0.970 157 H ASN 25 H ASN 25 -1.644 12.177 -2.278 158 HA ASN 25 HA ASN 25 -1.730 9.537 -3.173 159 HB2 ASN 25 1HB ASN 25 -1.036 11.353 -4.631 160 HB3 ASN 25 2HB ASN 25 0.384 11.652 -3.632 161 HD21 ASN 25 1HD2 ASN 25 0.774 11.267 -6.242 162 HD22 ASN 25 2HD2 ASN 25 1.479 9.718 -6.543 163 H SER 26 H SER 26 0.969 11.176 -1.508 164 HA SER 26 HA SER 26 2.779 9.231 -1.199 165 HB2 SER 26 1HB SER 26 2.925 11.498 -0.168 166 HB3 SER 26 2HB SER 26 1.849 10.946 1.116 167 HG SER 26 HG SER 26 3.743 10.492 1.986 168 H HIS 27 H HIS 27 0.193 9.657 1.225 169 HA HIS 27 HA HIS 27 0.553 7.449 2.753 170 HB2 HIS 27 1HB HIS 27 -2.077 8.590 1.794 171 HB3 HIS 27 2HB HIS 27 -1.927 7.426 3.107 172 HD1 HIS 27 HD1 HIS 27 -0.623 10.896 2.245 173 HD2 HIS 27 HD2 HIS 27 -1.665 8.585 5.537 174 HE1 HIS 27 HE1 HIS 27 -0.408 12.421 4.233 175 H LEU 28 H LEU 28 -1.408 7.521 -0.222 176 HA LEU 28 HA LEU 28 -2.127 4.846 -0.297 177 HB2 LEU 28 1HB LEU 28 -3.177 6.298 -1.812 178 HB3 LEU 28 2HB LEU 28 -1.640 6.865 -2.461 179 HG LEU 28 HG LEU 28 -1.309 4.685 -3.546 180 HD11 LEU 28 1HD1 LEU 28 -3.874 3.580 -3.510 181 HD12 LEU 28 2HD1 LEU 28 -3.491 3.940 -1.827 182 HD13 LEU 28 3HD1 LEU 28 -2.411 2.920 -2.777 183 HD21 LEU 28 3HD2 LEU 28 -3.975 5.937 -4.195 184 HD22 LEU 28 1HD2 LEU 28 -2.986 4.954 -5.274 185 HD23 LEU 28 2HD2 LEU 28 -2.407 6.533 -4.742 186 H ALA 29 H ALA 29 0.674 6.386 -1.874 187 HA ALA 29 HA ALA 29 1.834 4.226 -3.080 188 HB1 ALA 29 3HB ALA 29 4.011 5.576 -2.031 189 HB2 ALA 29 1HB ALA 29 3.206 5.910 -3.565 190 HB3 ALA 29 2HB ALA 29 2.745 6.802 -2.115 191 H ARG 30 H ARG 30 2.130 5.172 0.325 192 HA ARG 30 HA ARG 30 3.955 3.129 1.038 193 HB2 ARG 30 1HB ARG 30 2.090 4.893 2.603 194 HB3 ARG 30 2HB ARG 30 3.022 3.629 3.396 195 HG2 ARG 30 1HG ARG 30 4.406 5.425 3.675 196 HG3 ARG 30 2HG ARG 30 5.035 4.761 2.165 197 HD2 ARG 30 1HD ARG 30 3.682 6.363 0.902 198 HD3 ARG 30 2HD ARG 30 3.056 7.024 2.412 199 HE ARG 30 HE ARG 30 5.038 8.150 2.716 200 HH11 ARG 30 1HH1 ARG 30 5.380 5.841 0.134 201 HH12 ARG 30 2HH1 ARG 30 6.917 6.450 -0.383 202 HH21 ARG 30 1HH2 ARG 30 7.061 8.962 2.045 203 HH22 ARG 30 2HH2 ARG 30 7.873 8.225 0.706 204 H HIS 31 H HIS 31 0.450 3.422 1.643 205 HA HIS 31 HA HIS 31 -0.112 1.078 2.863 206 HB2 HIS 31 1HB HIS 31 -1.909 2.564 2.428 207 HB3 HIS 31 2HB HIS 31 -1.645 2.496 0.689 208 HD1 HIS 31 HD1 HIS 31 -2.783 0.217 3.505 209 HD2 HIS 31 HD2 HIS 31 -3.206 0.686 -0.601 210 HE1 HIS 31 HE1 HIS 31 -4.485 -1.497 2.805 211 H ARG 32 H ARG 32 0.205 1.481 -0.659 212 HA ARG 32 HA ARG 32 -0.375 -0.966 -1.621 213 HB2 ARG 32 1HB ARG 32 2.004 0.747 -2.348 214 HB3 ARG 32 2HB ARG 32 1.475 -0.641 -3.290 215 HG2 ARG 32 1HG ARG 32 -0.703 0.455 -3.634 216 HG3 ARG 32 2HG ARG 32 -0.108 1.863 -2.752 217 HD2 ARG 32 1HD ARG 32 0.188 2.398 -5.017 218 HD3 ARG 32 2HD ARG 32 1.788 1.920 -4.451 219 HE ARG 32 HE ARG 32 1.692 0.056 -5.806 220 HH11 ARG 32 1HH1 ARG 32 -1.405 1.644 -5.727 221 HH12 ARG 32 2HH1 ARG 32 -2.057 0.724 -7.042 222 HH21 ARG 32 1HH2 ARG 32 0.845 -1.163 -7.539 223 HH22 ARG 32 2HH2 ARG 32 -0.776 -0.873 -8.071 224 H ARG 33 H ARG 33 2.573 -0.105 0.120 225 HA ARG 33 HA ARG 33 4.156 -2.292 -0.235 226 HB2 ARG 33 1HB ARG 33 3.628 -0.652 2.233 227 HB3 ARG 33 2HB ARG 33 4.811 -1.953 2.230 228 HG2 ARG 33 1HG ARG 33 4.870 0.359 0.307 229 HG3 ARG 33 2HG ARG 33 5.747 0.326 1.838 230 HD2 ARG 33 1HD ARG 33 6.062 -1.702 -0.371 231 HD3 ARG 33 2HD ARG 33 7.134 -0.326 -0.111 232 HE ARG 33 HE ARG 33 7.240 -1.534 2.266 233 HH11 ARG 33 1HH1 ARG 33 7.491 -2.808 -0.965 234 HH12 ARG 33 2HH1 ARG 33 8.538 -4.111 -0.509 235 HH21 ARG 33 1HH2 ARG 33 8.618 -3.246 2.878 236 HH22 ARG 33 2HH2 ARG 33 9.177 -4.360 1.677 237 H VAL 34 H VAL 34 1.413 -2.028 1.998 238 HA VAL 34 HA VAL 34 1.542 -4.341 3.407 239 HB VAL 34 HB VAL 34 -0.900 -4.390 3.479 240 HG11 VAL 34 1HG1 VAL 34 -1.236 -2.284 4.489 241 HG12 VAL 34 2HG1 VAL 34 0.476 -2.653 4.711 242 HG13 VAL 34 3HG1 VAL 34 -0.027 -1.513 3.463 243 HG21 VAL 34 3HG2 VAL 34 -1.814 -2.264 2.034 244 HG22 VAL 34 1HG2 VAL 34 -0.600 -2.944 0.951 245 HG23 VAL 34 2HG2 VAL 34 -1.926 -3.951 1.531 246 H HIS 35 H HIS 35 0.696 -4.002 0.019 247 HA HIS 35 HA HIS 35 0.056 -6.830 -0.221 248 HB2 HIS 35 1HB HIS 35 0.133 -4.648 -2.316 249 HB3 HIS 35 2HB HIS 35 -0.448 -6.290 -2.573 250 HD1 HIS 35 HD1 HIS 35 -2.557 -6.939 -0.904 251 HD2 HIS 35 HD2 HIS 35 -1.825 -2.914 -1.632 252 HE1 HIS 35 HE1 HIS 35 -4.687 -5.748 -0.299 253 H THR 36 H THR 36 2.371 -7.214 0.548 254 HA THR 36 HA THR 36 4.060 -7.550 -1.832 255 HB THR 36 HB THR 36 6.076 -7.059 -0.447 256 HG1 THR 36 HG1 THR 36 5.764 -6.009 1.540 257 HG21 THR 36 3HG2 THR 36 5.437 -4.501 -0.216 258 HG22 THR 36 1HG2 THR 36 4.015 -5.017 -1.121 259 HG23 THR 36 2HG2 THR 36 5.626 -5.261 -1.796 260 H GLY 37 H GLY 37 4.172 -9.687 -2.100 261 HA2 GLY 37 1HA GLY 37 5.088 -11.788 -1.555 262 HA3 GLY 37 2HA GLY 37 5.105 -11.317 0.138 263 H GLY 38 H GLY 38 2.879 -12.119 -2.517 264 HA2 GLY 38 1HA GLY 38 1.395 -14.060 -2.025 265 HA3 GLY 38 2HA GLY 38 1.072 -13.277 -0.485 266 H LYS 39 H LYS 39 -0.596 -14.051 -2.929 267 HA LYS 39 HA LYS 39 -1.684 -11.435 -3.652 268 HB2 LYS 39 1HB LYS 39 -2.107 -14.216 -4.732 269 HB3 LYS 39 2HB LYS 39 -3.136 -12.868 -5.198 270 HG2 LYS 39 1HG LYS 39 -1.628 -12.777 -6.887 271 HG3 LYS 39 2HG LYS 39 -0.801 -11.740 -5.722 272 HD2 LYS 39 1HD LYS 39 0.849 -13.223 -6.504 273 HD3 LYS 39 2HD LYS 39 0.379 -13.852 -4.923 274 HE2 LYS 39 1HE LYS 39 0.424 -15.754 -6.255 275 HE3 LYS 39 2HE LYS 39 -1.283 -15.312 -6.250 276 HZ1 LYS 39 3HZ LYS 39 -0.628 -14.014 -8.379 277 HZ2 LYS 39 1HZ LYS 39 -0.893 -15.683 -8.465 278 HZ3 LYS 39 2HZ LYS 39 0.686 -15.079 -8.419 279 HA PRO 40 HA PRO 40 -4.859 -11.886 -0.584 280 HB2 PRO 40 1HB PRO 40 -6.339 -9.744 -1.351 281 HB3 PRO 40 2HB PRO 40 -4.827 -9.593 -0.447 282 HG2 PRO 40 1HG PRO 40 -5.317 -9.281 -3.384 283 HG3 PRO 40 2HG PRO 40 -4.321 -8.287 -2.304 284 HD2 PRO 40 1HD PRO 40 -3.265 -10.165 -3.944 285 HD3 PRO 40 2HD PRO 40 -2.555 -9.767 -2.366 286 H SER 41 H SER 41 -7.241 -12.077 -0.522 287 HA SER 41 HA SER 41 -8.160 -13.706 -2.724 288 HB2 SER 41 1HB SER 41 -9.270 -13.019 -0.012 289 HB3 SER 41 2HB SER 41 -10.254 -13.856 -1.212 290 HG SER 41 HG SER 41 -9.055 -15.606 -1.001 291 H GLY 42 H GLY 42 -8.955 -12.751 -4.480 292 HA2 GLY 42 1HA GLY 42 -11.304 -11.435 -4.711 293 HA3 GLY 42 2HA GLY 42 -10.180 -10.135 -4.348 294 HA PRO 43 HA PRO 43 -8.817 -9.885 -8.505 295 HB2 PRO 43 1HB PRO 43 -6.106 -9.935 -8.382 296 HB3 PRO 43 2HB PRO 43 -7.067 -8.557 -7.831 297 HG2 PRO 43 1HG PRO 43 -5.835 -10.768 -6.232 298 HG3 PRO 43 2HG PRO 43 -5.883 -9.029 -5.886 299 HD2 PRO 43 1HD PRO 43 -7.565 -10.796 -4.710 300 HD3 PRO 43 2HD PRO 43 -8.037 -9.124 -5.072 301 H SER 44 H SER 44 -7.330 -10.896 -10.219 302 HA SER 44 HA SER 44 -7.991 -13.422 -10.824 303 HB2 SER 44 1HB SER 44 -6.214 -13.490 -12.370 304 HB3 SER 44 2HB SER 44 -6.525 -11.768 -12.153 305 HG SER 44 HG SER 44 -4.518 -11.627 -11.586 306 H SER 45 H SER 45 -7.787 -15.343 -9.905 307 HA SER 45 HA SER 45 -5.848 -15.716 -7.765 308 HB2 SER 45 1HB SER 45 -8.341 -17.100 -8.641 309 HB3 SER 45 2HB SER 45 -7.142 -18.046 -7.759 310 HG SER 45 HG SER 45 -7.794 -15.546 -6.725 311 H GLY 46 H GLY 46 -4.406 -17.504 -7.678 312 HA2 GLY 46 1HA GLY 46 -4.000 -19.114 -10.049 313 HA3 GLY 46 2HA GLY 46 -2.740 -17.925 -9.756 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -16.159 -3.023 6.998 2 HA2 GLY 1 1HA GLY 1 -19.015 -3.047 6.916 3 HA3 GLY 1 2HA GLY 1 -18.423 -2.479 8.470 4 H SER 2 H SER 2 -19.826 -0.650 7.377 5 HA SER 2 HA SER 2 -18.063 1.486 6.843 6 HB2 SER 2 1HB SER 2 -17.793 0.618 4.636 7 HB3 SER 2 2HB SER 2 -19.523 0.321 4.468 8 HG SER 2 HG SER 2 -18.548 2.302 3.462 9 H SER 3 H SER 3 -19.121 3.506 6.778 10 HA SER 3 HA SER 3 -21.940 3.373 7.610 11 HB2 SER 3 1HB SER 3 -20.072 4.362 9.131 12 HB3 SER 3 2HB SER 3 -20.172 5.761 8.063 13 HG SER 3 HG SER 3 -22.017 4.784 9.904 14 H GLY 4 H GLY 4 -23.424 4.932 6.827 15 HA2 GLY 4 1HA GLY 4 -23.670 5.350 4.200 16 HA3 GLY 4 2HA GLY 4 -24.234 6.546 5.358 17 H SER 5 H SER 5 -23.194 6.931 2.654 18 HA SER 5 HA SER 5 -20.618 7.772 2.402 19 HB2 SER 5 1HB SER 5 -21.365 9.307 0.684 20 HB3 SER 5 2HB SER 5 -22.352 7.847 0.606 21 HG SER 5 HG SER 5 -23.245 10.255 0.758 22 H SER 6 H SER 6 -19.466 8.888 3.836 23 HA SER 6 HA SER 6 -20.269 10.532 5.840 24 HB2 SER 6 1HB SER 6 -17.776 10.739 4.143 25 HB3 SER 6 2HB SER 6 -18.019 11.665 5.624 26 HG SER 6 HG SER 6 -16.877 9.541 5.747 27 H GLY 7 H GLY 7 -19.416 11.609 2.551 28 HA2 GLY 7 1HA GLY 7 -21.213 13.284 1.761 29 HA3 GLY 7 2HA GLY 7 -20.663 14.206 3.153 30 H THR 8 H THR 8 -18.285 14.691 3.199 31 HA THR 8 HA THR 8 -17.502 15.650 0.560 32 HB THR 8 HB THR 8 -17.435 17.242 2.424 33 HG1 THR 8 HG1 THR 8 -15.182 16.535 0.954 34 HG21 THR 8 3HG2 THR 8 -16.521 16.802 4.419 35 HG22 THR 8 1HG2 THR 8 -15.039 16.184 3.691 36 HG23 THR 8 2HG2 THR 8 -16.433 15.122 3.890 37 H GLY 9 H GLY 9 -16.048 14.642 -0.658 38 HA2 GLY 9 1HA GLY 9 -14.081 12.890 0.679 39 HA3 GLY 9 2HA GLY 9 -14.926 12.382 -0.775 40 H GLU 10 H GLU 10 -14.238 13.088 -2.756 41 HA GLU 10 HA GLU 10 -12.913 14.077 -4.331 42 HB2 GLU 10 1HB GLU 10 -13.266 16.110 -2.692 43 HB3 GLU 10 2HB GLU 10 -11.579 15.816 -2.296 44 HG2 GLU 10 1HG GLU 10 -11.736 17.513 -3.991 45 HG3 GLU 10 2HG GLU 10 -10.995 16.064 -4.668 46 H LYS 11 H LYS 11 -12.134 11.709 -3.179 47 HA LYS 11 HA LYS 11 -9.204 11.996 -3.025 48 HB2 LYS 11 1HB LYS 11 -10.876 9.803 -1.788 49 HB3 LYS 11 2HB LYS 11 -9.137 10.011 -1.628 50 HG2 LYS 11 1HG LYS 11 -9.535 12.150 -0.462 51 HG3 LYS 11 2HG LYS 11 -11.271 11.844 -0.554 52 HD2 LYS 11 1HD LYS 11 -9.539 9.726 0.611 53 HD3 LYS 11 2HD LYS 11 -9.837 11.175 1.575 54 HE2 LYS 11 1HE LYS 11 -11.615 9.920 2.246 55 HE3 LYS 11 2HE LYS 11 -12.337 10.698 0.838 56 HZ1 LYS 11 3HZ LYS 11 -12.817 8.381 0.749 57 HZ2 LYS 11 1HZ LYS 11 -11.193 7.963 0.976 58 HZ3 LYS 11 2HZ LYS 11 -11.681 8.709 -0.462 59 HA PRO 12 HA PRO 12 -10.004 9.685 -6.896 60 HB2 PRO 12 1HB PRO 12 -7.791 10.627 -8.156 61 HB3 PRO 12 2HB PRO 12 -9.317 11.517 -8.102 62 HG2 PRO 12 1HG PRO 12 -6.862 11.864 -6.425 63 HG3 PRO 12 2HG PRO 12 -7.892 13.100 -7.170 64 HD2 PRO 12 1HD PRO 12 -8.075 12.437 -4.551 65 HD3 PRO 12 2HD PRO 12 -9.478 12.964 -5.503 66 H TYR 13 H TYR 13 -7.488 9.733 -4.575 67 HA TYR 13 HA TYR 13 -5.886 7.676 -5.805 68 HB2 TYR 13 1HB TYR 13 -5.798 8.736 -2.973 69 HB3 TYR 13 2HB TYR 13 -4.563 7.759 -3.759 70 HD1 TYR 13 HD1 TYR 13 -3.096 8.730 -5.450 71 HD2 TYR 13 HD2 TYR 13 -6.036 11.092 -3.478 72 HE1 TYR 13 HE1 TYR 13 -1.986 10.773 -6.253 73 HE2 TYR 13 HE2 TYR 13 -4.934 13.140 -4.277 74 HH TYR 13 HH TYR 13 -3.008 13.377 -6.680 75 H LYS 14 H LYS 14 -6.561 5.646 -5.890 76 HA LYS 14 HA LYS 14 -7.815 4.479 -3.502 77 HB2 LYS 14 1HB LYS 14 -9.617 4.909 -5.063 78 HB3 LYS 14 2HB LYS 14 -8.727 4.124 -6.361 79 HG2 LYS 14 1HG LYS 14 -10.121 2.428 -5.795 80 HG3 LYS 14 2HG LYS 14 -8.796 2.081 -4.681 81 HD2 LYS 14 1HD LYS 14 -9.975 2.770 -2.848 82 HD3 LYS 14 2HD LYS 14 -10.933 3.933 -3.767 83 HE2 LYS 14 1HE LYS 14 -12.007 1.878 -4.865 84 HE3 LYS 14 2HE LYS 14 -11.290 0.961 -3.542 85 HZ1 LYS 14 3HZ LYS 14 -13.067 1.508 -2.359 86 HZ2 LYS 14 1HZ LYS 14 -13.619 2.586 -3.540 87 HZ3 LYS 14 2HZ LYS 14 -12.529 3.112 -2.359 88 H CYS 15 H CYS 15 -7.360 2.306 -3.120 89 HA CYS 15 HA CYS 15 -4.938 1.349 -4.412 90 HB2 CYS 15 1HB CYS 15 -5.115 1.307 -1.951 91 HB3 CYS 15 2HB CYS 15 -6.485 0.208 -2.075 92 H ASN 16 H ASN 16 -4.919 -0.110 -5.984 93 HA ASN 16 HA ASN 16 -7.390 -1.414 -6.760 94 HB2 ASN 16 1HB ASN 16 -4.645 -1.298 -8.016 95 HB3 ASN 16 2HB ASN 16 -5.968 -2.248 -8.685 96 HD21 ASN 16 1HD2 ASN 16 -4.416 0.235 -9.522 97 HD22 ASN 16 2HD2 ASN 16 -5.652 1.350 -9.988 98 H GLU 17 H GLU 17 -5.613 -2.140 -4.343 99 HA GLU 17 HA GLU 17 -5.194 -4.977 -4.984 100 HB2 GLU 17 1HB GLU 17 -4.227 -3.565 -2.505 101 HB3 GLU 17 2HB GLU 17 -3.668 -5.092 -3.173 102 HG2 GLU 17 1HG GLU 17 -3.234 -2.352 -4.335 103 HG3 GLU 17 2HG GLU 17 -2.027 -3.383 -3.569 104 H CYS 18 H CYS 18 -6.430 -2.908 -2.359 105 HA CYS 18 HA CYS 18 -8.187 -5.131 -1.553 106 HB2 CYS 18 1HB CYS 18 -8.288 -4.008 0.663 107 HB3 CYS 18 2HB CYS 18 -6.661 -4.516 0.222 108 H GLY 19 H GLY 19 -8.058 -1.587 -1.857 109 HA2 GLY 19 1HA GLY 19 -9.953 -0.656 -3.209 110 HA3 GLY 19 2HA GLY 19 -10.996 -1.618 -2.171 111 H LYS 20 H LYS 20 -8.173 0.273 -1.203 112 HA LYS 20 HA LYS 20 -9.937 1.842 0.550 113 HB2 LYS 20 1HB LYS 20 -7.033 1.076 0.730 114 HB3 LYS 20 2HB LYS 20 -7.685 2.404 1.681 115 HG2 LYS 20 1HG LYS 20 -9.393 0.767 2.564 116 HG3 LYS 20 2HG LYS 20 -8.429 -0.504 1.807 117 HD2 LYS 20 1HD LYS 20 -6.497 0.144 3.135 118 HD3 LYS 20 2HD LYS 20 -7.414 1.470 3.854 119 HE2 LYS 20 1HE LYS 20 -7.613 -0.138 5.483 120 HE3 LYS 20 2HE LYS 20 -9.067 -0.441 4.533 121 HZ1 LYS 20 3HZ LYS 20 -6.820 -2.140 4.993 122 HZ2 LYS 20 1HZ LYS 20 -7.141 -1.967 3.341 123 HZ3 LYS 20 2HZ LYS 20 -8.351 -2.524 4.383 124 H VAL 21 H VAL 21 -9.931 4.050 0.516 125 HA VAL 21 HA VAL 21 -8.480 5.295 -1.720 126 HB VAL 21 HB VAL 21 -10.765 6.605 -0.286 127 HG11 VAL 21 1HG1 VAL 21 -11.038 7.806 -2.332 128 HG12 VAL 21 2HG1 VAL 21 -9.325 7.849 -1.910 129 HG13 VAL 21 3HG1 VAL 21 -9.898 6.752 -3.167 130 HG21 VAL 21 3HG2 VAL 21 -11.759 5.412 -2.635 131 HG22 VAL 21 1HG2 VAL 21 -10.920 4.146 -1.740 132 HG23 VAL 21 2HG2 VAL 21 -12.213 5.063 -0.967 133 H PHE 22 H PHE 22 -7.366 7.231 -1.431 134 HA PHE 22 HA PHE 22 -6.985 8.121 1.344 135 HB2 PHE 22 1HB PHE 22 -4.774 7.699 -0.678 136 HB3 PHE 22 2HB PHE 22 -4.573 8.351 0.945 137 HD1 PHE 22 HD1 PHE 22 -4.867 6.901 2.908 138 HD2 PHE 22 HD2 PHE 22 -5.004 5.362 -1.059 139 HE1 PHE 22 HE1 PHE 22 -4.548 4.623 3.783 140 HE2 PHE 22 HE2 PHE 22 -4.686 3.083 -0.189 141 HZ PHE 22 HZ PHE 22 -4.458 2.711 2.235 142 H THR 23 H THR 23 -6.331 10.307 1.593 143 HA THR 23 HA THR 23 -7.439 12.050 -0.401 144 HB THR 23 HB THR 23 -7.737 12.572 1.965 145 HG1 THR 23 HG1 THR 23 -6.422 14.325 0.232 146 HG21 THR 23 3HG2 THR 23 -5.708 13.508 3.193 147 HG22 THR 23 1HG2 THR 23 -4.731 12.709 1.962 148 HG23 THR 23 2HG2 THR 23 -5.784 11.756 3.007 149 H GLN 24 H GLN 24 -4.227 11.122 0.648 150 HA GLN 24 HA GLN 24 -3.087 12.903 -1.403 151 HB2 GLN 24 1HB GLN 24 -1.911 11.884 1.181 152 HB3 GLN 24 2HB GLN 24 -0.943 12.645 -0.075 153 HG2 GLN 24 1HG GLN 24 -3.233 13.914 1.409 154 HG3 GLN 24 2HG GLN 24 -1.518 14.227 1.671 155 HE21 GLN 24 1HE2 GLN 24 -4.280 15.151 0.014 156 HE22 GLN 24 2HE2 GLN 24 -3.550 16.218 -1.132 157 H ASN 25 H ASN 25 -0.891 12.030 -2.207 158 HA ASN 25 HA ASN 25 -1.395 9.400 -3.292 159 HB2 ASN 25 1HB ASN 25 0.774 9.859 -4.534 160 HB3 ASN 25 2HB ASN 25 -0.545 10.982 -4.850 161 HD21 ASN 25 1HD2 ASN 25 -0.093 13.057 -4.729 162 HD22 ASN 25 2HD2 ASN 25 1.264 13.755 -3.919 163 H SER 26 H SER 26 0.966 10.925 -1.149 164 HA SER 26 HA SER 26 2.815 8.918 -0.853 165 HB2 SER 26 1HB SER 26 3.104 9.786 1.506 166 HB3 SER 26 2HB SER 26 3.179 11.015 0.243 167 HG SER 26 HG SER 26 1.839 11.785 1.832 168 H HIS 27 H HIS 27 0.043 9.386 1.347 169 HA HIS 27 HA HIS 27 0.213 7.131 2.849 170 HB2 HIS 27 1HB HIS 27 -2.385 8.196 1.727 171 HB3 HIS 27 2HB HIS 27 -2.179 7.270 3.211 172 HD1 HIS 27 HD1 HIS 27 -3.482 10.099 3.152 173 HD2 HIS 27 HD2 HIS 27 0.503 9.329 4.038 174 HE1 HIS 27 HE1 HIS 27 -2.704 12.066 4.513 175 H LEU 28 H LEU 28 -1.236 7.375 -0.376 176 HA LEU 28 HA LEU 28 -2.167 4.734 -0.555 177 HB2 LEU 28 1HB LEU 28 -2.962 6.333 -2.112 178 HB3 LEU 28 2HB LEU 28 -1.329 6.731 -2.641 179 HG LEU 28 HG LEU 28 -1.150 4.503 -3.682 180 HD11 LEU 28 1HD1 LEU 28 -2.954 3.571 -2.066 181 HD12 LEU 28 2HD1 LEU 28 -2.856 2.950 -3.714 182 HD13 LEU 28 3HD1 LEU 28 -4.089 4.137 -3.292 183 HD21 LEU 28 3HD2 LEU 28 -3.520 5.224 -5.068 184 HD22 LEU 28 1HD2 LEU 28 -1.843 5.544 -5.512 185 HD23 LEU 28 2HD2 LEU 28 -2.730 6.705 -4.524 186 H ALA 29 H ALA 29 0.871 6.180 -1.720 187 HA ALA 29 HA ALA 29 1.985 3.825 -2.760 188 HB1 ALA 29 3HB ALA 29 3.955 5.016 -3.019 189 HB2 ALA 29 1HB ALA 29 2.733 6.288 -3.024 190 HB3 ALA 29 2HB ALA 29 3.683 5.982 -1.569 191 H ARG 30 H ARG 30 2.074 5.223 0.478 192 HA ARG 30 HA ARG 30 3.924 3.279 1.497 193 HB2 ARG 30 1HB ARG 30 2.096 5.166 2.995 194 HB3 ARG 30 2HB ARG 30 3.452 4.278 3.678 195 HG2 ARG 30 1HG ARG 30 4.790 5.548 1.797 196 HG3 ARG 30 2HG ARG 30 3.439 6.676 1.929 197 HD2 ARG 30 1HD ARG 30 4.829 7.562 3.507 198 HD3 ARG 30 2HD ARG 30 3.938 6.417 4.509 199 HE ARG 30 HE ARG 30 6.211 5.149 3.450 200 HH11 ARG 30 1HH1 ARG 30 5.327 7.598 5.760 201 HH12 ARG 30 2HH1 ARG 30 6.715 7.336 6.764 202 HH21 ARG 30 1HH2 ARG 30 8.042 4.795 4.763 203 HH22 ARG 30 2HH2 ARG 30 8.259 5.743 6.196 204 H HIS 31 H HIS 31 0.631 3.246 0.781 205 HA HIS 31 HA HIS 31 -0.028 1.249 2.805 206 HB2 HIS 31 1HB HIS 31 -1.736 2.886 2.482 207 HB3 HIS 31 2HB HIS 31 -1.682 2.692 0.732 208 HD1 HIS 31 HD1 HIS 31 -2.715 0.767 3.829 209 HD2 HIS 31 HD2 HIS 31 -3.431 0.850 -0.263 210 HE1 HIS 31 HE1 HIS 31 -4.584 -0.870 3.440 211 H ARG 32 H ARG 32 -0.123 1.564 -0.744 212 HA ARG 32 HA ARG 32 -0.891 -0.945 -1.476 213 HB2 ARG 32 1HB ARG 32 1.248 0.775 -2.740 214 HB3 ARG 32 2HB ARG 32 0.549 -0.647 -3.503 215 HG2 ARG 32 1HG ARG 32 -1.700 0.492 -3.242 216 HG3 ARG 32 2HG ARG 32 -0.795 1.951 -2.834 217 HD2 ARG 32 1HD ARG 32 -0.273 0.387 -5.346 218 HD3 ARG 32 2HD ARG 32 -1.495 1.656 -5.266 219 HE ARG 32 HE ARG 32 0.945 2.657 -4.296 220 HH11 ARG 32 1HH1 ARG 32 -0.552 1.633 -7.268 221 HH12 ARG 32 2HH1 ARG 32 0.409 2.676 -8.263 222 HH21 ARG 32 1HH2 ARG 32 2.217 4.034 -5.596 223 HH22 ARG 32 2HH2 ARG 32 1.984 4.040 -7.312 224 H ARG 33 H ARG 33 2.370 0.068 -0.529 225 HA ARG 33 HA ARG 33 3.808 -2.207 -1.075 226 HB2 ARG 33 1HB ARG 33 5.401 -1.478 0.513 227 HB3 ARG 33 2HB ARG 33 4.642 -0.014 -0.097 228 HG2 ARG 33 1HG ARG 33 3.363 0.255 1.877 229 HG3 ARG 33 2HG ARG 33 3.787 -1.360 2.449 230 HD2 ARG 33 1HD ARG 33 6.066 -0.711 2.789 231 HD3 ARG 33 2HD ARG 33 5.790 0.846 2.008 232 HE ARG 33 HE ARG 33 4.818 1.627 3.950 233 HH11 ARG 33 1HH1 ARG 33 5.366 -1.804 4.176 234 HH12 ARG 33 2HH1 ARG 33 5.039 -1.875 5.876 235 HH21 ARG 33 1HH2 ARG 33 4.386 1.545 6.188 236 HH22 ARG 33 2HH2 ARG 33 4.481 0.030 7.019 237 H VAL 34 H VAL 34 1.569 -1.627 1.562 238 HA VAL 34 HA VAL 34 2.149 -3.645 3.321 239 HB VAL 34 HB VAL 34 -0.129 -3.620 4.033 240 HG11 VAL 34 1HG1 VAL 34 -0.483 -0.931 3.469 241 HG12 VAL 34 2HG1 VAL 34 0.393 -1.610 4.843 242 HG13 VAL 34 3HG1 VAL 34 1.262 -1.165 3.374 243 HG21 VAL 34 3HG2 VAL 34 -1.533 -2.026 2.232 244 HG22 VAL 34 1HG2 VAL 34 -0.651 -3.177 1.228 245 HG23 VAL 34 2HG2 VAL 34 -1.732 -3.759 2.494 246 H HIS 35 H HIS 35 0.907 -3.925 0.105 247 HA HIS 35 HA HIS 35 0.152 -6.717 0.484 248 HB2 HIS 35 1HB HIS 35 0.023 -4.991 -1.998 249 HB3 HIS 35 2HB HIS 35 -0.657 -6.607 -1.828 250 HD1 HIS 35 HD1 HIS 35 -2.831 -6.840 -0.444 251 HD2 HIS 35 HD2 HIS 35 -1.463 -2.935 -0.823 252 HE1 HIS 35 HE1 HIS 35 -4.736 -5.383 0.314 253 H THR 36 H THR 36 2.272 -4.854 -1.698 254 HA THR 36 HA THR 36 3.559 -6.880 -2.997 255 HB THR 36 HB THR 36 5.512 -5.404 -3.222 256 HG1 THR 36 HG1 THR 36 4.484 -4.348 -0.920 257 HG21 THR 36 3HG2 THR 36 4.461 -3.847 -4.545 258 HG22 THR 36 1HG2 THR 36 3.186 -3.544 -3.366 259 HG23 THR 36 2HG2 THR 36 3.156 -5.015 -4.339 260 H GLY 37 H GLY 37 4.904 -8.489 -2.476 261 HA2 GLY 37 1HA GLY 37 6.048 -8.478 0.247 262 HA3 GLY 37 2HA GLY 37 5.572 -9.930 -0.621 263 H GLY 38 H GLY 38 7.486 -11.002 -0.694 264 HA2 GLY 38 1HA GLY 38 9.281 -11.139 -2.493 265 HA3 GLY 38 2HA GLY 38 9.779 -9.570 -1.877 266 H LYS 39 H LYS 39 9.436 -12.982 -1.052 267 HA LYS 39 HA LYS 39 10.401 -13.178 1.456 268 HB2 LYS 39 1HB LYS 39 11.324 -14.877 -0.869 269 HB3 LYS 39 2HB LYS 39 11.434 -15.320 0.829 270 HG2 LYS 39 1HG LYS 39 9.109 -15.547 1.034 271 HG3 LYS 39 2HG LYS 39 8.809 -14.691 -0.481 272 HD2 LYS 39 1HD LYS 39 8.503 -16.863 -1.158 273 HD3 LYS 39 2HD LYS 39 10.224 -16.661 -1.497 274 HE2 LYS 39 1HE LYS 39 10.830 -17.800 0.505 275 HE3 LYS 39 2HE LYS 39 9.165 -17.790 1.086 276 HZ1 LYS 39 3HZ LYS 39 10.211 -19.892 -0.066 277 HZ2 LYS 39 1HZ LYS 39 9.707 -19.098 -1.473 278 HZ3 LYS 39 2HZ LYS 39 8.581 -19.494 -0.275 279 HA PRO 40 HA PRO 40 14.416 -11.399 1.667 280 HB2 PRO 40 1HB PRO 40 15.452 -12.829 3.729 281 HB3 PRO 40 2HB PRO 40 14.222 -11.579 3.949 282 HG2 PRO 40 1HG PRO 40 13.899 -14.552 3.819 283 HG3 PRO 40 2HG PRO 40 13.137 -13.391 4.922 284 HD2 PRO 40 1HD PRO 40 11.856 -14.406 2.764 285 HD3 PRO 40 2HD PRO 40 11.552 -12.766 3.370 286 H SER 41 H SER 41 13.838 -14.405 0.456 287 HA SER 41 HA SER 41 16.127 -15.880 0.510 288 HB2 SER 41 1HB SER 41 15.533 -16.681 -1.759 289 HB3 SER 41 2HB SER 41 14.131 -16.609 -0.692 290 HG SER 41 HG SER 41 14.509 -15.382 -3.033 291 H GLY 42 H GLY 42 17.714 -16.163 -1.384 292 HA2 GLY 42 1HA GLY 42 19.426 -13.966 -1.475 293 HA3 GLY 42 2HA GLY 42 19.501 -15.342 -2.566 294 HA PRO 43 HA PRO 43 18.459 -12.656 -5.877 295 HB2 PRO 43 1HB PRO 43 17.387 -14.449 -7.610 296 HB3 PRO 43 2HB PRO 43 19.120 -14.355 -7.277 297 HG2 PRO 43 1HG PRO 43 17.077 -16.241 -6.166 298 HG3 PRO 43 2HG PRO 43 18.723 -16.580 -6.732 299 HD2 PRO 43 1HD PRO 43 18.107 -16.336 -4.107 300 HD3 PRO 43 2HD PRO 43 19.684 -15.856 -4.766 301 H SER 44 H SER 44 16.809 -11.308 -6.217 302 HA SER 44 HA SER 44 14.075 -12.278 -6.262 303 HB2 SER 44 1HB SER 44 13.340 -10.532 -4.609 304 HB3 SER 44 2HB SER 44 14.296 -11.836 -3.906 305 HG SER 44 HG SER 44 16.075 -10.475 -3.872 306 H SER 45 H SER 45 12.544 -10.364 -6.699 307 HA SER 45 HA SER 45 13.486 -9.040 -9.037 308 HB2 SER 45 1HB SER 45 10.919 -8.608 -7.489 309 HB3 SER 45 2HB SER 45 11.243 -8.043 -9.127 310 HG SER 45 HG SER 45 10.376 -9.904 -9.625 311 H GLY 46 H GLY 46 15.178 -7.679 -8.478 312 HA2 GLY 46 1HA GLY 46 15.945 -5.518 -8.101 313 HA3 GLY 46 2HA GLY 46 14.368 -5.102 -7.447 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -35.993 -5.107 0.296 2 HA2 GLY 1 1HA GLY 1 -37.101 -2.924 0.824 3 HA3 GLY 1 2HA GLY 1 -36.983 -3.980 2.223 4 H SER 2 H SER 2 -34.762 -3.762 3.381 5 HA SER 2 HA SER 2 -34.535 -0.985 4.132 6 HB2 SER 2 1HB SER 2 -34.505 -2.901 5.775 7 HB3 SER 2 2HB SER 2 -32.904 -3.316 5.161 8 HG SER 2 HG SER 2 -32.135 -1.359 5.891 9 H SER 3 H SER 3 -32.660 0.279 4.049 10 HA SER 3 HA SER 3 -30.549 -0.694 2.242 11 HB2 SER 3 1HB SER 3 -30.416 1.631 1.319 12 HB3 SER 3 2HB SER 3 -31.930 0.808 0.947 13 HG SER 3 HG SER 3 -32.766 2.565 1.760 14 H GLY 4 H GLY 4 -28.500 0.516 2.435 15 HA2 GLY 4 1HA GLY 4 -28.091 1.388 5.227 16 HA3 GLY 4 2HA GLY 4 -26.878 0.561 4.262 17 H SER 5 H SER 5 -25.444 2.306 4.809 18 HA SER 5 HA SER 5 -25.996 4.785 3.317 19 HB2 SER 5 1HB SER 5 -24.185 4.345 5.704 20 HB3 SER 5 2HB SER 5 -24.364 5.872 4.839 21 HG SER 5 HG SER 5 -26.257 4.501 6.421 22 H SER 6 H SER 6 -24.381 5.676 2.020 23 HA SER 6 HA SER 6 -22.532 3.733 0.928 24 HB2 SER 6 1HB SER 6 -23.964 5.358 -0.444 25 HB3 SER 6 2HB SER 6 -22.817 6.604 0.046 26 HG SER 6 HG SER 6 -21.714 5.919 -1.606 27 H GLY 7 H GLY 7 -22.319 7.001 2.332 28 HA2 GLY 7 1HA GLY 7 -20.622 7.528 3.956 29 HA3 GLY 7 2HA GLY 7 -19.579 6.340 3.188 30 H THR 8 H THR 8 -20.686 9.606 3.183 31 HA THR 8 HA THR 8 -19.671 10.412 0.670 32 HB THR 8 HB THR 8 -19.811 12.706 1.531 33 HG1 THR 8 HG1 THR 8 -19.180 11.845 3.776 34 HG21 THR 8 3HG2 THR 8 -21.857 11.459 0.789 35 HG22 THR 8 1HG2 THR 8 -22.172 12.776 1.918 36 HG23 THR 8 2HG2 THR 8 -22.184 11.106 2.485 37 H GLY 9 H GLY 9 -17.592 9.928 0.202 38 HA2 GLY 9 1HA GLY 9 -15.501 11.479 1.217 39 HA3 GLY 9 2HA GLY 9 -15.464 9.935 2.057 40 H GLU 10 H GLU 10 -15.705 11.236 -1.252 41 HA GLU 10 HA GLU 10 -14.189 8.909 -2.203 42 HB2 GLU 10 1HB GLU 10 -15.026 9.371 -4.385 43 HB3 GLU 10 2HB GLU 10 -16.387 9.502 -3.280 44 HG2 GLU 10 1HG GLU 10 -16.566 11.766 -3.539 45 HG3 GLU 10 2HG GLU 10 -14.865 11.963 -3.959 46 H LYS 11 H LYS 11 -12.301 9.127 -3.380 47 HA LYS 11 HA LYS 11 -11.200 11.803 -3.772 48 HB2 LYS 11 1HB LYS 11 -10.102 9.723 -1.930 49 HB3 LYS 11 2HB LYS 11 -8.975 10.738 -2.821 50 HG2 LYS 11 1HG LYS 11 -9.189 11.992 -0.945 51 HG3 LYS 11 2HG LYS 11 -10.532 12.660 -1.876 52 HD2 LYS 11 1HD LYS 11 -12.110 11.295 -0.703 53 HD3 LYS 11 2HD LYS 11 -10.818 10.393 0.092 54 HE2 LYS 11 1HE LYS 11 -11.291 13.349 0.449 55 HE3 LYS 11 2HE LYS 11 -11.923 12.110 1.532 56 HZ1 LYS 11 3HZ LYS 11 -9.164 11.700 1.158 57 HZ2 LYS 11 1HZ LYS 11 -9.994 12.066 2.586 58 HZ3 LYS 11 2HZ LYS 11 -9.418 13.313 1.600 59 HA PRO 12 HA PRO 12 -9.519 10.140 -7.468 60 HB2 PRO 12 1HB PRO 12 -7.162 11.470 -7.680 61 HB3 PRO 12 2HB PRO 12 -8.729 12.245 -7.941 62 HG2 PRO 12 1HG PRO 12 -6.981 12.276 -5.510 63 HG3 PRO 12 2HG PRO 12 -7.875 13.610 -6.263 64 HD2 PRO 12 1HD PRO 12 -8.778 12.305 -4.068 65 HD3 PRO 12 2HD PRO 12 -9.870 12.987 -5.291 66 H TYR 13 H TYR 13 -7.648 9.920 -4.544 67 HA TYR 13 HA TYR 13 -5.812 7.979 -5.721 68 HB2 TYR 13 1HB TYR 13 -5.886 9.021 -2.884 69 HB3 TYR 13 2HB TYR 13 -4.578 8.126 -3.648 70 HD1 TYR 13 HD1 TYR 13 -3.086 9.211 -5.235 71 HD2 TYR 13 HD2 TYR 13 -6.235 11.374 -3.362 72 HE1 TYR 13 HE1 TYR 13 -2.049 11.325 -5.945 73 HE2 TYR 13 HE2 TYR 13 -5.207 13.494 -4.068 74 HH TYR 13 HH TYR 13 -3.628 14.433 -5.364 75 H LYS 14 H LYS 14 -6.633 5.996 -5.907 76 HA LYS 14 HA LYS 14 -7.810 4.763 -3.519 77 HB2 LYS 14 1HB LYS 14 -9.727 5.300 -4.839 78 HB3 LYS 14 2HB LYS 14 -8.957 4.718 -6.310 79 HG2 LYS 14 1HG LYS 14 -9.137 2.458 -5.614 80 HG3 LYS 14 2HG LYS 14 -9.614 2.932 -3.982 81 HD2 LYS 14 1HD LYS 14 -11.669 3.946 -4.928 82 HD3 LYS 14 2HD LYS 14 -11.200 3.339 -6.517 83 HE2 LYS 14 1HE LYS 14 -11.310 1.058 -5.714 84 HE3 LYS 14 2HE LYS 14 -11.660 1.621 -4.080 85 HZ1 LYS 14 3HZ LYS 14 -13.546 0.893 -5.774 86 HZ2 LYS 14 1HZ LYS 14 -13.451 2.531 -6.189 87 HZ3 LYS 14 2HZ LYS 14 -13.796 2.081 -4.596 88 H CYS 15 H CYS 15 -7.326 2.614 -3.221 89 HA CYS 15 HA CYS 15 -5.090 1.611 -4.764 90 HB2 CYS 15 1HB CYS 15 -5.183 1.474 -2.263 91 HB3 CYS 15 2HB CYS 15 -6.497 0.314 -2.424 92 H ASN 16 H ASN 16 -5.250 0.244 -6.408 93 HA ASN 16 HA ASN 16 -7.819 -0.905 -7.083 94 HB2 ASN 16 1HB ASN 16 -5.141 -0.920 -8.484 95 HB3 ASN 16 2HB ASN 16 -6.573 -1.726 -9.119 96 HD21 ASN 16 1HD2 ASN 16 -6.019 -0.213 -10.915 97 HD22 ASN 16 2HD2 ASN 16 -6.735 1.359 -10.874 98 H GLU 17 H GLU 17 -5.287 -1.829 -5.157 99 HA GLU 17 HA GLU 17 -5.201 -4.624 -5.825 100 HB2 GLU 17 1HB GLU 17 -4.261 -3.353 -3.256 101 HB3 GLU 17 2HB GLU 17 -3.715 -4.862 -3.974 102 HG2 GLU 17 1HG GLU 17 -3.124 -2.057 -4.833 103 HG3 GLU 17 2HG GLU 17 -2.000 -3.345 -4.401 104 H CYS 18 H CYS 18 -6.303 -2.884 -2.908 105 HA CYS 18 HA CYS 18 -8.107 -5.134 -2.343 106 HB2 CYS 18 1HB CYS 18 -8.213 -4.195 -0.044 107 HB3 CYS 18 2HB CYS 18 -6.580 -4.643 -0.529 108 H GLY 19 H GLY 19 -8.013 -1.577 -2.383 109 HA2 GLY 19 1HA GLY 19 -9.918 -0.556 -3.643 110 HA3 GLY 19 2HA GLY 19 -10.953 -1.615 -2.695 111 H LYS 20 H LYS 20 -8.154 0.185 -1.523 112 HA LYS 20 HA LYS 20 -9.942 1.589 0.337 113 HB2 LYS 20 1HB LYS 20 -6.994 0.955 0.466 114 HB3 LYS 20 2HB LYS 20 -7.790 2.041 1.598 115 HG2 LYS 20 1HG LYS 20 -9.223 0.252 2.364 116 HG3 LYS 20 2HG LYS 20 -8.532 -0.846 1.167 117 HD2 LYS 20 1HD LYS 20 -6.370 -0.717 2.237 118 HD3 LYS 20 2HD LYS 20 -6.967 0.497 3.370 119 HE2 LYS 20 1HE LYS 20 -6.889 -1.674 4.441 120 HE3 LYS 20 2HE LYS 20 -8.562 -1.149 4.261 121 HZ1 LYS 20 3HZ LYS 20 -8.313 -2.522 2.037 122 HZ2 LYS 20 1HZ LYS 20 -8.753 -3.256 3.496 123 HZ3 LYS 20 2HZ LYS 20 -7.154 -3.345 2.954 124 H VAL 21 H VAL 21 -10.115 3.758 0.334 125 HA VAL 21 HA VAL 21 -8.659 5.215 -1.747 126 HB VAL 21 HB VAL 21 -10.958 6.258 -0.100 127 HG11 VAL 21 1HG1 VAL 21 -9.551 7.880 -1.350 128 HG12 VAL 21 2HG1 VAL 21 -9.983 7.043 -2.843 129 HG13 VAL 21 3HG1 VAL 21 -11.230 7.842 -1.885 130 HG21 VAL 21 3HG2 VAL 21 -11.752 4.248 -1.147 131 HG22 VAL 21 1HG2 VAL 21 -12.394 5.631 -2.033 132 HG23 VAL 21 2HG2 VAL 21 -11.038 4.716 -2.690 133 H PHE 22 H PHE 22 -7.634 7.210 -1.325 134 HA PHE 22 HA PHE 22 -7.115 7.835 1.494 135 HB2 PHE 22 1HB PHE 22 -4.963 7.601 -0.621 136 HB3 PHE 22 2HB PHE 22 -4.721 8.087 1.054 137 HD1 PHE 22 HD1 PHE 22 -5.040 6.438 2.874 138 HD2 PHE 22 HD2 PHE 22 -5.131 5.322 -1.233 139 HE1 PHE 22 HE1 PHE 22 -4.701 4.085 3.509 140 HE2 PHE 22 HE2 PHE 22 -4.793 2.968 -0.604 141 HZ PHE 22 HZ PHE 22 -4.578 2.347 1.770 142 H THR 23 H THR 23 -6.181 9.993 1.808 143 HA THR 23 HA THR 23 -7.455 11.900 0.046 144 HB THR 23 HB THR 23 -7.601 12.239 2.464 145 HG1 THR 23 HG1 THR 23 -5.923 14.297 1.481 146 HG21 THR 23 3HG2 THR 23 -5.650 12.851 3.779 147 HG22 THR 23 1HG2 THR 23 -4.611 12.659 2.368 148 HG23 THR 23 2HG2 THR 23 -5.420 11.255 3.066 149 H GLN 24 H GLN 24 -4.166 11.047 1.029 150 HA GLN 24 HA GLN 24 -3.152 12.780 -1.128 151 HB2 GLN 24 1HB GLN 24 -1.873 11.979 1.486 152 HB3 GLN 24 2HB GLN 24 -0.990 12.756 0.178 153 HG2 GLN 24 1HG GLN 24 -3.456 13.992 1.341 154 HG3 GLN 24 2HG GLN 24 -1.874 14.212 2.086 155 HE21 GLN 24 1HE2 GLN 24 -0.487 15.652 1.239 156 HE22 GLN 24 2HE2 GLN 24 -0.796 16.597 -0.174 157 H ASN 25 H ASN 25 -1.220 12.016 -2.241 158 HA ASN 25 HA ASN 25 -1.490 9.349 -3.119 159 HB2 ASN 25 1HB ASN 25 0.632 9.788 -4.360 160 HB3 ASN 25 2HB ASN 25 -0.595 11.027 -4.608 161 HD21 ASN 25 1HD2 ASN 25 2.532 10.310 -3.409 162 HD22 ASN 25 2HD2 ASN 25 2.972 11.918 -2.956 163 H SER 26 H SER 26 1.094 10.907 -1.220 164 HA SER 26 HA SER 26 2.848 8.958 -0.747 165 HB2 SER 26 1HB SER 26 3.039 11.089 0.385 166 HB3 SER 26 2HB SER 26 1.615 10.741 1.366 167 HG SER 26 HG SER 26 4.213 9.734 1.564 168 H HIS 27 H HIS 27 -0.076 9.275 1.276 169 HA HIS 27 HA HIS 27 0.171 6.957 2.740 170 HB2 HIS 27 1HB HIS 27 -2.416 8.129 1.698 171 HB3 HIS 27 2HB HIS 27 -2.245 7.057 3.085 172 HD1 HIS 27 HD1 HIS 27 -3.251 10.190 2.864 173 HD2 HIS 27 HD2 HIS 27 0.223 8.681 4.570 174 HE1 HIS 27 HE1 HIS 27 -2.513 11.923 4.530 175 H LEU 28 H LEU 28 -1.168 7.370 -0.500 176 HA LEU 28 HA LEU 28 -2.089 4.694 -0.771 177 HB2 LEU 28 1HB LEU 28 -3.063 6.334 -2.168 178 HB3 LEU 28 2HB LEU 28 -1.490 6.880 -2.745 179 HG LEU 28 HG LEU 28 -1.220 4.808 -4.004 180 HD11 LEU 28 1HD1 LEU 28 -3.965 4.124 -2.961 181 HD12 LEU 28 2HD1 LEU 28 -2.457 3.303 -2.557 182 HD13 LEU 28 3HD1 LEU 28 -3.087 3.231 -4.203 183 HD21 LEU 28 3HD2 LEU 28 -2.535 5.447 -5.763 184 HD22 LEU 28 1HD2 LEU 28 -2.628 6.899 -4.767 185 HD23 LEU 28 2HD2 LEU 28 -3.950 5.731 -4.749 186 H ALA 29 H ALA 29 0.847 6.380 -1.836 187 HA ALA 29 HA ALA 29 2.022 4.234 -3.208 188 HB1 ALA 29 3HB ALA 29 2.726 6.877 -2.541 189 HB2 ALA 29 1HB ALA 29 4.039 5.843 -1.976 190 HB3 ALA 29 2HB ALA 29 3.537 5.788 -3.666 191 H ARG 30 H ARG 30 2.290 5.252 0.180 192 HA ARG 30 HA ARG 30 4.138 3.186 0.876 193 HB2 ARG 30 1HB ARG 30 3.877 3.943 3.139 194 HB3 ARG 30 2HB ARG 30 3.925 5.357 2.095 195 HG2 ARG 30 1HG ARG 30 1.388 5.311 2.165 196 HG3 ARG 30 2HG ARG 30 1.556 4.150 3.483 197 HD2 ARG 30 1HD ARG 30 2.684 6.947 3.414 198 HD3 ARG 30 2HD ARG 30 1.283 6.414 4.342 199 HE ARG 30 HE ARG 30 4.070 5.950 4.965 200 HH11 ARG 30 1HH1 ARG 30 0.758 5.058 5.564 201 HH12 ARG 30 2HH1 ARG 30 1.090 4.363 7.116 202 HH21 ARG 30 1HH2 ARG 30 4.519 5.037 7.007 203 HH22 ARG 30 2HH2 ARG 30 3.229 4.352 7.936 204 H HIS 31 H HIS 31 0.645 3.581 1.043 205 HA HIS 31 HA HIS 31 -0.003 1.415 2.665 206 HB2 HIS 31 1HB HIS 31 -1.745 2.921 2.126 207 HB3 HIS 31 2HB HIS 31 -1.472 2.745 0.395 208 HD1 HIS 31 HD1 HIS 31 -2.597 0.556 3.300 209 HD2 HIS 31 HD2 HIS 31 -3.216 1.047 -0.779 210 HE1 HIS 31 HE1 HIS 31 -4.392 -1.096 2.689 211 H ARG 32 H ARG 32 0.232 1.519 -0.890 212 HA ARG 32 HA ARG 32 -0.417 -1.001 -1.602 213 HB2 ARG 32 1HB ARG 32 1.889 0.673 -2.593 214 HB3 ARG 32 2HB ARG 32 1.405 -0.834 -3.359 215 HG2 ARG 32 1HG ARG 32 -0.846 0.129 -3.727 216 HG3 ARG 32 2HG ARG 32 -0.258 1.658 -3.071 217 HD2 ARG 32 1HD ARG 32 0.012 1.989 -5.336 218 HD3 ARG 32 2HD ARG 32 1.606 1.397 -4.869 219 HE ARG 32 HE ARG 32 -0.257 -0.629 -5.761 220 HH11 ARG 32 1HH1 ARG 32 2.288 1.580 -6.633 221 HH12 ARG 32 2HH1 ARG 32 2.731 0.710 -8.064 222 HH21 ARG 32 1HH2 ARG 32 0.317 -1.784 -7.642 223 HH22 ARG 32 2HH2 ARG 32 1.609 -1.204 -8.638 224 H ARG 33 H ARG 33 2.467 -0.028 0.121 225 HA ARG 33 HA ARG 33 4.096 -2.230 -0.178 226 HB2 ARG 33 1HB ARG 33 3.636 -0.611 2.334 227 HB3 ARG 33 2HB ARG 33 5.005 -1.679 2.054 228 HG2 ARG 33 1HG ARG 33 4.416 0.581 0.183 229 HG3 ARG 33 2HG ARG 33 5.302 0.847 1.686 230 HD2 ARG 33 1HD ARG 33 7.058 0.425 0.297 231 HD3 ARG 33 2HD ARG 33 6.692 -1.225 0.801 232 HE ARG 33 HE ARG 33 5.929 -1.686 -1.327 233 HH11 ARG 33 1HH1 ARG 33 6.515 1.728 -0.975 234 HH12 ARG 33 2HH1 ARG 33 6.371 2.060 -2.669 235 HH21 ARG 33 1HH2 ARG 33 5.737 -1.261 -3.560 236 HH22 ARG 33 2HH2 ARG 33 5.928 0.360 -4.139 237 H VAL 34 H VAL 34 1.480 -1.776 2.187 238 HA VAL 34 HA VAL 34 1.657 -4.019 3.702 239 HB VAL 34 HB VAL 34 -0.809 -4.018 3.886 240 HG11 VAL 34 1HG1 VAL 34 0.097 -2.517 5.370 241 HG12 VAL 34 2HG1 VAL 34 0.782 -1.505 4.097 242 HG13 VAL 34 3HG1 VAL 34 -0.950 -1.458 4.426 243 HG21 VAL 34 3HG2 VAL 34 -2.084 -3.314 2.210 244 HG22 VAL 34 1HG2 VAL 34 -1.414 -1.690 2.373 245 HG23 VAL 34 2HG2 VAL 34 -0.642 -2.859 1.302 246 H HIS 35 H HIS 35 0.893 -3.863 0.332 247 HA HIS 35 HA HIS 35 -0.143 -6.567 0.220 248 HB2 HIS 35 1HB HIS 35 0.455 -4.512 -1.911 249 HB3 HIS 35 2HB HIS 35 -0.135 -6.131 -2.272 250 HD1 HIS 35 HD1 HIS 35 -2.578 -6.698 -1.405 251 HD2 HIS 35 HD2 HIS 35 -1.466 -2.703 -1.141 252 HE1 HIS 35 HE1 HIS 35 -4.719 -5.425 -1.058 253 H THR 36 H THR 36 2.708 -4.839 -1.029 254 HA THR 36 HA THR 36 3.976 -7.225 -1.962 255 HB THR 36 HB THR 36 5.946 -5.815 -2.345 256 HG1 THR 36 HG1 THR 36 5.404 -3.436 -1.847 257 HG21 THR 36 3HG2 THR 36 5.059 -4.650 -4.117 258 HG22 THR 36 1HG2 THR 36 3.668 -4.086 -3.192 259 HG23 THR 36 2HG2 THR 36 3.728 -5.752 -3.768 260 H GLY 37 H GLY 37 3.587 -8.295 0.228 261 HA2 GLY 37 1HA GLY 37 5.377 -9.384 1.576 262 HA3 GLY 37 2HA GLY 37 5.902 -7.758 1.986 263 H GLY 38 H GLY 38 3.452 -10.207 2.495 264 HA2 GLY 38 1HA GLY 38 2.975 -9.302 5.158 265 HA3 GLY 38 2HA GLY 38 1.640 -8.876 4.096 266 H LYS 39 H LYS 39 1.845 -10.767 6.394 267 HA LYS 39 HA LYS 39 1.790 -13.428 5.545 268 HB2 LYS 39 1HB LYS 39 1.890 -12.667 7.916 269 HB3 LYS 39 2HB LYS 39 0.194 -12.211 7.807 270 HG2 LYS 39 1HG LYS 39 -0.378 -14.558 7.323 271 HG3 LYS 39 2HG LYS 39 1.322 -14.990 7.524 272 HD2 LYS 39 1HD LYS 39 -0.106 -13.517 9.699 273 HD3 LYS 39 2HD LYS 39 -0.340 -15.257 9.519 274 HE2 LYS 39 1HE LYS 39 2.370 -13.958 9.718 275 HE3 LYS 39 2HE LYS 39 1.479 -14.558 11.116 276 HZ1 LYS 39 3HZ LYS 39 3.034 -16.211 10.354 277 HZ2 LYS 39 1HZ LYS 39 2.386 -16.167 8.791 278 HZ3 LYS 39 2HZ LYS 39 1.459 -16.761 10.074 279 HA PRO 40 HA PRO 40 -1.937 -13.455 3.133 280 HB2 PRO 40 1HB PRO 40 -2.026 -16.139 2.738 281 HB3 PRO 40 2HB PRO 40 -0.914 -15.076 1.867 282 HG2 PRO 40 1HG PRO 40 -0.402 -16.805 4.257 283 HG3 PRO 40 2HG PRO 40 0.603 -16.560 2.816 284 HD2 PRO 40 1HD PRO 40 1.098 -15.311 5.167 285 HD3 PRO 40 2HD PRO 40 1.457 -14.566 3.596 286 H SER 41 H SER 41 -3.895 -15.177 3.117 287 HA SER 41 HA SER 41 -4.923 -15.127 5.858 288 HB2 SER 41 1HB SER 41 -6.195 -14.065 3.930 289 HB3 SER 41 2HB SER 41 -6.492 -15.700 3.340 290 HG SER 41 HG SER 41 -7.729 -14.347 5.322 291 H GLY 42 H GLY 42 -6.123 -16.944 6.694 292 HA2 GLY 42 1HA GLY 42 -5.882 -19.504 5.373 293 HA3 GLY 42 2HA GLY 42 -4.847 -19.325 6.782 294 HA PRO 43 HA PRO 43 -9.396 -19.020 8.408 295 HB2 PRO 43 1HB PRO 43 -11.359 -19.619 6.632 296 HB3 PRO 43 2HB PRO 43 -10.749 -17.978 6.871 297 HG2 PRO 43 1HG PRO 43 -10.068 -19.958 4.733 298 HG3 PRO 43 2HG PRO 43 -10.379 -18.219 4.588 299 HD2 PRO 43 1HD PRO 43 -7.877 -19.254 4.609 300 HD3 PRO 43 2HD PRO 43 -8.253 -17.653 5.278 301 H SER 44 H SER 44 -10.931 -20.689 9.079 302 HA SER 44 HA SER 44 -10.898 -23.296 7.966 303 HB2 SER 44 1HB SER 44 -9.720 -24.427 9.868 304 HB3 SER 44 2HB SER 44 -8.659 -23.443 8.859 305 HG SER 44 HG SER 44 -8.435 -22.017 10.447 306 H SER 45 H SER 45 -12.568 -24.487 8.734 307 HA SER 45 HA SER 45 -13.900 -23.558 11.187 308 HB2 SER 45 1HB SER 45 -15.067 -23.963 8.457 309 HB3 SER 45 2HB SER 45 -16.069 -24.256 9.877 310 HG SER 45 HG SER 45 -16.260 -22.184 10.095 311 H GLY 46 H GLY 46 -12.827 -25.344 12.213 312 HA2 GLY 46 1HA GLY 46 -13.283 -28.034 11.342 313 HA3 GLY 46 2HA GLY 46 -12.584 -27.540 12.877 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -35.771 -2.026 -7.230 2 HA2 GLY 1 1HA GLY 1 -35.550 -0.357 -8.890 3 HA3 GLY 1 2HA GLY 1 -37.095 0.022 -8.143 4 H SER 2 H SER 2 -33.622 0.708 -7.911 5 HA SER 2 HA SER 2 -34.286 3.492 -7.296 6 HB2 SER 2 1HB SER 2 -32.432 1.747 -5.666 7 HB3 SER 2 2HB SER 2 -32.444 3.507 -5.567 8 HG SER 2 HG SER 2 -34.427 3.462 -4.680 9 H SER 3 H SER 3 -33.440 4.539 -8.973 10 HA SER 3 HA SER 3 -31.250 3.604 -10.504 11 HB2 SER 3 1HB SER 3 -33.171 5.283 -11.116 12 HB3 SER 3 2HB SER 3 -32.052 6.494 -10.489 13 HG SER 3 HG SER 3 -32.045 5.344 -12.874 14 H GLY 4 H GLY 4 -31.545 6.149 -8.044 15 HA2 GLY 4 1HA GLY 4 -29.868 6.700 -6.483 16 HA3 GLY 4 2HA GLY 4 -28.690 5.870 -7.488 17 H SER 5 H SER 5 -30.850 8.702 -7.590 18 HA SER 5 HA SER 5 -29.588 10.098 -9.619 19 HB2 SER 5 1HB SER 5 -31.066 11.088 -7.178 20 HB3 SER 5 2HB SER 5 -30.509 12.164 -8.459 21 HG SER 5 HG SER 5 -32.051 9.901 -9.094 22 H SER 6 H SER 6 -29.109 10.636 -6.122 23 HA SER 6 HA SER 6 -26.326 11.389 -6.712 24 HB2 SER 6 1HB SER 6 -26.440 13.201 -5.105 25 HB3 SER 6 2HB SER 6 -27.728 13.411 -6.291 26 HG SER 6 HG SER 6 -28.138 12.096 -3.820 27 H GLY 7 H GLY 7 -24.824 11.060 -4.979 28 HA2 GLY 7 1HA GLY 7 -24.790 10.281 -2.535 29 HA3 GLY 7 2HA GLY 7 -25.707 8.917 -3.159 30 H THR 8 H THR 8 -22.811 10.673 -4.273 31 HA THR 8 HA THR 8 -21.079 8.457 -3.782 32 HB THR 8 HB THR 8 -22.251 7.619 -5.797 33 HG1 THR 8 HG1 THR 8 -20.315 7.144 -6.927 34 HG21 THR 8 3HG2 THR 8 -22.357 8.741 -7.792 35 HG22 THR 8 1HG2 THR 8 -20.892 9.668 -7.475 36 HG23 THR 8 2HG2 THR 8 -22.403 10.109 -6.681 37 H GLY 9 H GLY 9 -18.872 8.925 -4.249 38 HA2 GLY 9 1HA GLY 9 -17.558 10.759 -5.579 39 HA3 GLY 9 2HA GLY 9 -18.372 11.808 -4.428 40 H GLU 10 H GLU 10 -15.601 10.065 -5.031 41 HA GLU 10 HA GLU 10 -14.774 10.335 -2.228 42 HB2 GLU 10 1HB GLU 10 -14.375 7.910 -3.981 43 HB3 GLU 10 2HB GLU 10 -13.463 8.192 -2.505 44 HG2 GLU 10 1HG GLU 10 -15.157 6.790 -1.809 45 HG3 GLU 10 2HG GLU 10 -15.767 8.386 -1.375 46 H LYS 11 H LYS 11 -12.264 9.882 -2.149 47 HA LYS 11 HA LYS 11 -11.042 11.926 -3.675 48 HB2 LYS 11 1HB LYS 11 -9.564 9.737 -2.225 49 HB3 LYS 11 2HB LYS 11 -9.035 11.387 -2.529 50 HG2 LYS 11 1HG LYS 11 -11.266 10.554 -0.685 51 HG3 LYS 11 2HG LYS 11 -9.652 11.080 -0.202 52 HD2 LYS 11 1HD LYS 11 -11.298 12.865 -1.934 53 HD3 LYS 11 2HD LYS 11 -11.673 12.760 -0.212 54 HE2 LYS 11 1HE LYS 11 -10.162 14.469 -0.168 55 HE3 LYS 11 2HE LYS 11 -9.062 13.103 0.011 56 HZ1 LYS 11 3HZ LYS 11 -9.539 13.655 -2.729 57 HZ2 LYS 11 1HZ LYS 11 -8.073 13.627 -1.885 58 HZ3 LYS 11 2HZ LYS 11 -8.990 15.047 -1.940 59 HA PRO 12 HA PRO 12 -9.803 9.857 -7.347 60 HB2 PRO 12 1HB PRO 12 -7.523 11.209 -7.932 61 HB3 PRO 12 2HB PRO 12 -9.133 11.913 -8.123 62 HG2 PRO 12 1HG PRO 12 -7.167 12.260 -5.892 63 HG3 PRO 12 2HG PRO 12 -8.173 13.479 -6.697 64 HD2 PRO 12 1HD PRO 12 -8.821 12.410 -4.295 65 HD3 PRO 12 2HD PRO 12 -10.045 12.924 -5.473 66 H TYR 13 H TYR 13 -7.926 9.772 -4.502 67 HA TYR 13 HA TYR 13 -5.920 7.981 -5.636 68 HB2 TYR 13 1HB TYR 13 -6.197 8.958 -2.788 69 HB3 TYR 13 2HB TYR 13 -4.804 8.143 -3.490 70 HD1 TYR 13 HD2 TYR 13 -6.846 11.241 -3.757 71 HD2 TYR 13 HD1 TYR 13 -3.088 9.383 -4.482 72 HE1 TYR 13 HE2 TYR 13 -5.896 13.421 -4.385 73 HE2 TYR 13 HE1 TYR 13 -2.126 11.558 -5.110 74 HH TYR 13 HH TYR 13 -4.113 14.405 -5.483 75 H LYS 14 H LYS 14 -6.708 5.986 -5.959 76 HA LYS 14 HA LYS 14 -7.869 4.603 -3.641 77 HB2 LYS 14 1HB LYS 14 -9.750 5.069 -5.043 78 HB3 LYS 14 2HB LYS 14 -8.880 4.560 -6.484 79 HG2 LYS 14 1HG LYS 14 -10.204 2.736 -6.116 80 HG3 LYS 14 2HG LYS 14 -8.752 2.267 -5.229 81 HD2 LYS 14 1HD LYS 14 -9.739 2.583 -3.178 82 HD3 LYS 14 2HD LYS 14 -10.885 3.776 -3.794 83 HE2 LYS 14 1HE LYS 14 -11.660 1.344 -3.147 84 HE3 LYS 14 2HE LYS 14 -12.353 2.185 -4.533 85 HZ1 LYS 14 3HZ LYS 14 -9.980 0.703 -5.179 86 HZ2 LYS 14 1HZ LYS 14 -11.493 0.705 -5.937 87 HZ3 LYS 14 2HZ LYS 14 -11.225 -0.278 -4.588 88 H CYS 15 H CYS 15 -7.400 2.396 -3.479 89 HA CYS 15 HA CYS 15 -5.018 1.588 -4.960 90 HB2 CYS 15 1HB CYS 15 -5.057 1.440 -2.474 91 HB3 CYS 15 2HB CYS 15 -6.348 0.248 -2.596 92 H ASN 16 H ASN 16 -5.101 0.216 -6.605 93 HA ASN 16 HA ASN 16 -7.598 -1.141 -7.212 94 HB2 ASN 16 1HB ASN 16 -5.027 -0.745 -8.739 95 HB3 ASN 16 2HB ASN 16 -6.310 -1.801 -9.321 96 HD21 ASN 16 1HD2 ASN 16 -5.190 1.394 -9.034 97 HD22 ASN 16 2HD2 ASN 16 -6.544 2.184 -9.762 98 H GLU 17 H GLU 17 -5.551 -1.927 -5.049 99 HA GLU 17 HA GLU 17 -5.052 -4.686 -5.929 100 HB2 GLU 17 1HB GLU 17 -3.930 -3.365 -3.462 101 HB3 GLU 17 2HB GLU 17 -3.371 -4.834 -4.250 102 HG2 GLU 17 1HG GLU 17 -3.171 -2.035 -5.337 103 HG3 GLU 17 2HG GLU 17 -1.853 -3.011 -4.691 104 H CYS 18 H CYS 18 -6.204 -2.850 -3.105 105 HA CYS 18 HA CYS 18 -7.756 -5.226 -2.308 106 HB2 CYS 18 1HB CYS 18 -7.667 -4.346 -0.004 107 HB3 CYS 18 2HB CYS 18 -6.060 -4.660 -0.651 108 H GLY 19 H GLY 19 -7.781 -1.667 -2.321 109 HA2 GLY 19 1HA GLY 19 -9.813 -0.687 -3.389 110 HA3 GLY 19 2HA GLY 19 -10.733 -1.802 -2.389 111 H LYS 20 H LYS 20 -8.021 0.412 -1.723 112 HA LYS 20 HA LYS 20 -9.676 1.622 0.396 113 HB2 LYS 20 1HB LYS 20 -6.723 1.014 0.345 114 HB3 LYS 20 2HB LYS 20 -7.435 2.135 1.499 115 HG2 LYS 20 1HG LYS 20 -8.925 0.291 2.265 116 HG3 LYS 20 2HG LYS 20 -8.019 -0.803 1.217 117 HD2 LYS 20 1HD LYS 20 -5.987 -0.364 2.441 118 HD3 LYS 20 2HD LYS 20 -6.799 0.863 3.417 119 HE2 LYS 20 1HE LYS 20 -6.692 -1.083 4.755 120 HE3 LYS 20 2HE LYS 20 -8.358 -0.965 4.192 121 HZ1 LYS 20 3HZ LYS 20 -6.771 -3.155 3.984 122 HZ2 LYS 20 1HZ LYS 20 -6.682 -2.488 2.431 123 HZ3 LYS 20 2HZ LYS 20 -8.186 -2.881 3.097 124 H VAL 21 H VAL 21 -9.839 3.800 0.461 125 HA VAL 21 HA VAL 21 -8.539 5.285 -1.711 126 HB VAL 21 HB VAL 21 -10.693 6.480 -0.022 127 HG11 VAL 21 1HG1 VAL 21 -11.241 7.647 -2.059 128 HG12 VAL 21 2HG1 VAL 21 -9.507 7.785 -1.761 129 HG13 VAL 21 3HG1 VAL 21 -10.107 6.654 -2.975 130 HG21 VAL 21 3HG2 VAL 21 -12.193 5.446 -1.977 131 HG22 VAL 21 1HG2 VAL 21 -10.992 4.162 -1.839 132 HG23 VAL 21 2HG2 VAL 21 -11.946 4.631 -0.432 133 H PHE 22 H PHE 22 -7.599 7.343 -1.318 134 HA PHE 22 HA PHE 22 -7.006 7.999 1.472 135 HB2 PHE 22 1HB PHE 22 -4.871 7.793 -0.660 136 HB3 PHE 22 2HB PHE 22 -4.629 8.242 1.025 137 HD1 PHE 22 HD2 PHE 22 -5.675 5.462 -1.185 138 HD2 PHE 22 HD1 PHE 22 -4.269 6.614 2.664 139 HE1 PHE 22 HE2 PHE 22 -5.313 3.096 -0.613 140 HE2 PHE 22 HE1 PHE 22 -3.903 4.250 3.241 141 HZ PHE 22 HZ PHE 22 -4.426 2.488 1.603 142 H THR 23 H THR 23 -5.970 10.169 1.673 143 HA THR 23 HA THR 23 -7.369 12.040 -0.032 144 HB THR 23 HB THR 23 -7.318 12.432 2.386 145 HG1 THR 23 HG1 THR 23 -7.059 14.576 2.150 146 HG21 THR 23 3HG2 THR 23 -4.939 11.475 2.593 147 HG22 THR 23 1HG2 THR 23 -5.369 12.845 3.616 148 HG23 THR 23 2HG2 THR 23 -4.398 13.098 2.165 149 H GLN 24 H GLN 24 -4.019 11.184 0.712 150 HA GLN 24 HA GLN 24 -3.179 12.788 -1.613 151 HB2 GLN 24 1HB GLN 24 -1.829 12.360 1.040 152 HB3 GLN 24 2HB GLN 24 -0.917 12.847 -0.382 153 HG2 GLN 24 1HG GLN 24 -3.240 14.357 0.793 154 HG3 GLN 24 2HG GLN 24 -1.538 14.743 1.040 155 HE21 GLN 24 1HE2 GLN 24 -4.046 15.901 -0.440 156 HE22 GLN 24 2HE2 GLN 24 -3.363 16.471 -1.921 157 H ASN 25 H ASN 25 -1.127 11.997 -2.618 158 HA ASN 25 HA ASN 25 -1.396 9.285 -3.355 159 HB2 ASN 25 1HB ASN 25 1.007 9.775 -4.329 160 HB3 ASN 25 2HB ASN 25 -0.419 10.529 -5.036 161 HD21 ASN 25 1HD2 ASN 25 -0.555 12.682 -5.085 162 HD22 ASN 25 2HD2 ASN 25 0.579 13.761 -4.353 163 H SER 26 H SER 26 1.183 10.926 -1.516 164 HA SER 26 HA SER 26 2.891 8.983 -0.884 165 HB2 SER 26 1HB SER 26 1.663 10.935 1.075 166 HB3 SER 26 2HB SER 26 3.105 9.977 1.411 167 HG SER 26 HG SER 26 4.236 11.292 0.225 168 H HIS 27 H HIS 27 0.043 9.516 1.201 169 HA HIS 27 HA HIS 27 0.198 7.296 2.775 170 HB2 HIS 27 1HB HIS 27 -2.418 8.280 1.635 171 HB3 HIS 27 2HB HIS 27 -2.144 7.517 3.198 172 HD1 HIS 27 HD1 HIS 27 -3.217 10.550 2.279 173 HD2 HIS 27 HD2 HIS 27 0.221 9.448 4.334 174 HE1 HIS 27 HE1 HIS 27 -2.513 12.597 3.559 175 H LEU 28 H LEU 28 -1.425 7.483 -0.386 176 HA LEU 28 HA LEU 28 -2.285 4.827 -0.506 177 HB2 LEU 28 1HB LEU 28 -3.202 6.325 -2.060 178 HB3 LEU 28 2HB LEU 28 -1.615 6.857 -2.610 179 HG LEU 28 HG LEU 28 -1.276 4.720 -3.737 180 HD11 LEU 28 1HD1 LEU 28 -3.471 3.915 -2.079 181 HD12 LEU 28 2HD1 LEU 28 -2.391 2.927 -3.063 182 HD13 LEU 28 3HD1 LEU 28 -3.852 3.612 -3.774 183 HD21 LEU 28 3HD2 LEU 28 -2.176 6.288 -5.187 184 HD22 LEU 28 1HD2 LEU 28 -3.728 6.324 -4.348 185 HD23 LEU 28 2HD2 LEU 28 -3.295 4.933 -5.343 186 H ALA 29 H ALA 29 0.673 6.304 -1.829 187 HA ALA 29 HA ALA 29 1.799 4.028 -2.953 188 HB1 ALA 29 3HB ALA 29 3.993 5.203 -2.596 189 HB2 ALA 29 1HB ALA 29 2.759 6.146 -3.432 190 HB3 ALA 29 2HB ALA 29 3.099 6.451 -1.728 191 H ARG 30 H ARG 30 2.330 5.351 0.315 192 HA ARG 30 HA ARG 30 4.061 3.369 1.234 193 HB2 ARG 30 1HB ARG 30 2.042 4.999 2.787 194 HB3 ARG 30 2HB ARG 30 3.348 4.065 3.506 195 HG2 ARG 30 1HG ARG 30 4.970 5.464 2.263 196 HG3 ARG 30 2HG ARG 30 3.622 6.446 1.686 197 HD2 ARG 30 1HD ARG 30 4.267 7.664 3.515 198 HD3 ARG 30 2HD ARG 30 3.064 6.604 4.248 199 HE ARG 30 HE ARG 30 5.307 5.201 4.618 200 HH11 ARG 30 1HH1 ARG 30 4.583 8.562 5.168 201 HH12 ARG 30 2HH1 ARG 30 5.698 8.721 6.484 202 HH21 ARG 30 1HH2 ARG 30 6.778 5.399 6.349 203 HH22 ARG 30 2HH2 ARG 30 6.947 6.922 7.155 204 H HIS 31 H HIS 31 0.533 3.496 1.213 205 HA HIS 31 HA HIS 31 0.053 1.209 2.769 206 HB2 HIS 31 1HB HIS 31 -1.796 2.622 2.392 207 HB3 HIS 31 2HB HIS 31 -1.550 2.622 0.648 208 HD1 HIS 31 HD1 HIS 31 -2.386 0.036 3.322 209 HD2 HIS 31 HD2 HIS 31 -3.300 1.005 -0.614 210 HE1 HIS 31 HE1 HIS 31 -4.111 -1.645 2.599 211 H ARG 32 H ARG 32 0.447 1.606 -0.733 212 HA ARG 32 HA ARG 32 -0.176 -0.851 -1.697 213 HB2 ARG 32 1HB ARG 32 2.129 0.951 -2.419 214 HB3 ARG 32 2HB ARG 32 1.773 -0.518 -3.316 215 HG2 ARG 32 1HG ARG 32 -0.431 0.334 -3.880 216 HG3 ARG 32 2HG ARG 32 -0.119 1.793 -2.937 217 HD2 ARG 32 1HD ARG 32 0.226 2.206 -5.311 218 HD3 ARG 32 2HD ARG 32 1.741 2.355 -4.421 219 HE ARG 32 HE ARG 32 1.532 -0.265 -5.379 220 HH11 ARG 32 1HH1 ARG 32 1.929 2.977 -6.583 221 HH12 ARG 32 2HH1 ARG 32 2.807 2.485 -7.993 222 HH21 ARG 32 1HH2 ARG 32 2.686 -0.925 -7.232 223 HH22 ARG 32 2HH2 ARG 32 3.236 0.266 -8.362 224 H ARG 33 H ARG 33 2.485 -0.056 0.380 225 HA ARG 33 HA ARG 33 4.227 -2.160 -0.048 226 HB2 ARG 33 1HB ARG 33 3.488 -0.869 2.585 227 HB3 ARG 33 2HB ARG 33 4.910 -1.867 2.311 228 HG2 ARG 33 1HG ARG 33 4.509 0.497 0.561 229 HG3 ARG 33 2HG ARG 33 5.016 0.766 2.230 230 HD2 ARG 33 1HD ARG 33 6.853 -0.913 1.814 231 HD3 ARG 33 2HD ARG 33 6.415 -0.847 0.108 232 HE ARG 33 HE ARG 33 7.548 1.123 -0.038 233 HH11 ARG 33 1HH1 ARG 33 6.693 0.587 3.294 234 HH12 ARG 33 2HH1 ARG 33 7.549 1.977 3.873 235 HH21 ARG 33 1HH2 ARG 33 8.678 2.956 0.712 236 HH22 ARG 33 2HH2 ARG 33 8.677 3.325 2.403 237 H VAL 34 H VAL 34 1.364 -2.061 2.050 238 HA VAL 34 HA VAL 34 1.484 -4.465 3.317 239 HB VAL 34 HB VAL 34 -0.961 -4.532 3.317 240 HG11 VAL 34 1HG1 VAL 34 -1.372 -2.300 4.269 241 HG12 VAL 34 2HG1 VAL 34 0.141 -3.003 4.845 242 HG13 VAL 34 3HG1 VAL 34 0.166 -1.748 3.605 243 HG21 VAL 34 3HG2 VAL 34 -1.537 -2.137 1.869 244 HG22 VAL 34 1HG2 VAL 34 -0.680 -3.262 0.815 245 HG23 VAL 34 2HG2 VAL 34 -2.168 -3.765 1.617 246 H HIS 35 H HIS 35 1.132 -3.934 -0.067 247 HA HIS 35 HA HIS 35 0.354 -6.721 -0.533 248 HB2 HIS 35 1HB HIS 35 0.554 -4.389 -2.449 249 HB3 HIS 35 2HB HIS 35 0.032 -6.013 -2.885 250 HD1 HIS 35 HD1 HIS 35 -2.252 -6.825 -1.741 251 HD2 HIS 35 HD2 HIS 35 -1.416 -2.764 -1.474 252 HE1 HIS 35 HE1 HIS 35 -4.431 -5.729 -1.127 253 H THR 36 H THR 36 2.557 -7.294 0.299 254 HA THR 36 HA THR 36 4.451 -7.342 -1.951 255 HB THR 36 HB THR 36 6.290 -7.299 -0.143 256 HG1 THR 36 HG1 THR 36 5.314 -7.292 1.776 257 HG21 THR 36 3HG2 THR 36 4.836 -5.158 -1.458 258 HG22 THR 36 1HG2 THR 36 6.573 -5.374 -1.245 259 HG23 THR 36 2HG2 THR 36 5.617 -4.614 0.027 260 H GLY 37 H GLY 37 3.560 -8.771 1.181 261 HA2 GLY 37 1HA GLY 37 3.883 -11.426 0.075 262 HA3 GLY 37 2HA GLY 37 5.060 -11.013 1.313 263 H GLY 38 H GLY 38 1.662 -10.038 1.180 264 HA2 GLY 38 1HA GLY 38 0.951 -10.274 3.750 265 HA3 GLY 38 2HA GLY 38 -0.140 -10.758 2.460 266 H LYS 39 H LYS 39 0.812 -13.050 1.517 267 HA LYS 39 HA LYS 39 0.348 -14.872 3.713 268 HB2 LYS 39 1HB LYS 39 0.759 -15.333 0.754 269 HB3 LYS 39 2HB LYS 39 0.418 -16.613 1.911 270 HG2 LYS 39 1HG LYS 39 -1.737 -15.696 2.392 271 HG3 LYS 39 2HG LYS 39 -1.391 -14.256 1.431 272 HD2 LYS 39 1HD LYS 39 -2.622 -15.467 -0.076 273 HD3 LYS 39 2HD LYS 39 -0.997 -16.030 -0.475 274 HE2 LYS 39 1HE LYS 39 -1.302 -18.053 0.696 275 HE3 LYS 39 2HE LYS 39 -2.741 -17.451 1.519 276 HZ1 LYS 39 3HZ LYS 39 -3.496 -17.246 -1.025 277 HZ2 LYS 39 1HZ LYS 39 -3.782 -18.617 -0.076 278 HZ3 LYS 39 2HZ LYS 39 -2.465 -18.583 -1.137 279 HA PRO 40 HA PRO 40 4.654 -15.572 4.499 280 HB2 PRO 40 1HB PRO 40 4.336 -17.693 6.164 281 HB3 PRO 40 2HB PRO 40 4.019 -16.026 6.660 282 HG2 PRO 40 1HG PRO 40 2.090 -18.143 5.786 283 HG3 PRO 40 2HG PRO 40 1.954 -16.989 7.125 284 HD2 PRO 40 1HD PRO 40 0.701 -16.623 4.753 285 HD3 PRO 40 2HD PRO 40 1.287 -15.270 5.741 286 H SER 41 H SER 41 5.079 -16.249 2.293 287 HA SER 41 HA SER 41 5.054 -19.171 1.929 288 HB2 SER 41 1HB SER 41 3.825 -17.636 0.263 289 HB3 SER 41 2HB SER 41 5.432 -17.169 -0.292 290 HG SER 41 HG SER 41 5.804 -19.478 -0.592 291 H GLY 42 H GLY 42 6.919 -20.251 1.454 292 HA2 GLY 42 1HA GLY 42 9.173 -20.549 0.943 293 HA3 GLY 42 2HA GLY 42 9.351 -18.804 0.826 294 HA PRO 43 HA PRO 43 10.685 -20.678 5.070 295 HB2 PRO 43 1HB PRO 43 13.241 -21.438 4.562 296 HB3 PRO 43 2HB PRO 43 11.866 -22.538 4.419 297 HG2 PRO 43 1HG PRO 43 13.316 -21.030 2.278 298 HG3 PRO 43 2HG PRO 43 12.747 -22.710 2.274 299 HD2 PRO 43 1HD PRO 43 11.402 -20.714 1.035 300 HD3 PRO 43 2HD PRO 43 10.581 -22.108 1.766 301 H SER 44 H SER 44 12.336 -18.796 2.610 302 HA SER 44 HA SER 44 13.785 -17.023 2.735 303 HB2 SER 44 1HB SER 44 11.734 -16.373 4.858 304 HB3 SER 44 2HB SER 44 12.944 -15.218 4.298 305 HG SER 44 HG SER 44 11.252 -14.833 3.002 306 H SER 45 H SER 45 14.810 -19.225 4.099 307 HA SER 45 HA SER 45 16.293 -17.890 6.262 308 HB2 SER 45 1HB SER 45 14.947 -20.566 6.280 309 HB3 SER 45 2HB SER 45 16.424 -20.340 7.217 310 HG SER 45 HG SER 45 15.425 -18.792 8.423 311 H GLY 46 H GLY 46 18.471 -18.204 6.285 312 HA2 GLY 46 1HA GLY 46 19.561 -19.804 4.059 313 HA3 GLY 46 2HA GLY 46 20.338 -18.386 4.747 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -29.717 -8.195 10.674 2 HA2 GLY 1 1HA GLY 1 -28.511 -7.106 9.036 3 HA3 GLY 1 2HA GLY 1 -30.030 -6.705 8.249 4 H SER 2 H SER 2 -27.381 -5.425 9.726 5 HA SER 2 HA SER 2 -28.821 -3.062 10.715 6 HB2 SER 2 1HB SER 2 -27.008 -4.391 12.084 7 HB3 SER 2 2HB SER 2 -25.877 -3.453 11.109 8 HG SER 2 HG SER 2 -27.771 -1.818 12.024 9 H SER 3 H SER 3 -28.760 -1.210 9.621 10 HA SER 3 HA SER 3 -27.845 -0.960 7.038 11 HB2 SER 3 1HB SER 3 -29.349 0.606 8.569 12 HB3 SER 3 2HB SER 3 -27.833 1.488 8.748 13 HG SER 3 HG SER 3 -28.065 0.949 6.194 14 H GLY 4 H GLY 4 -26.187 0.706 6.275 15 HA2 GLY 4 1HA GLY 4 -23.652 0.081 7.621 16 HA3 GLY 4 2HA GLY 4 -23.828 0.598 5.950 17 H SER 5 H SER 5 -23.260 2.618 5.525 18 HA SER 5 HA SER 5 -23.888 4.792 7.283 19 HB2 SER 5 1HB SER 5 -21.111 3.686 7.181 20 HB3 SER 5 2HB SER 5 -21.322 5.432 7.312 21 HG SER 5 HG SER 5 -22.795 4.854 9.126 22 H SER 6 H SER 6 -23.478 6.849 6.341 23 HA SER 6 HA SER 6 -23.872 6.989 3.590 24 HB2 SER 6 1HB SER 6 -24.219 8.778 5.470 25 HB3 SER 6 2HB SER 6 -22.572 9.258 5.061 26 HG SER 6 HG SER 6 -23.287 10.125 3.286 27 H GLY 7 H GLY 7 -20.925 8.012 5.334 28 HA2 GLY 7 1HA GLY 7 -18.764 8.266 4.568 29 HA3 GLY 7 2HA GLY 7 -19.023 6.646 3.939 30 H THR 8 H THR 8 -18.975 10.049 3.187 31 HA THR 8 HA THR 8 -19.182 9.392 0.322 32 HB THR 8 HB THR 8 -19.767 11.782 -0.027 33 HG1 THR 8 HG1 THR 8 -20.335 12.994 1.856 34 HG21 THR 8 3HG2 THR 8 -21.386 9.729 0.828 35 HG22 THR 8 1HG2 THR 8 -21.941 11.268 0.170 36 HG23 THR 8 2HG2 THR 8 -21.819 11.048 1.916 37 H GLY 9 H GLY 9 -17.761 10.456 -1.146 38 HA2 GLY 9 1HA GLY 9 -15.908 12.133 -1.318 39 HA3 GLY 9 2HA GLY 9 -15.266 11.386 0.138 40 H GLU 10 H GLU 10 -15.441 11.263 -3.278 41 HA GLU 10 HA GLU 10 -14.083 8.659 -3.333 42 HB2 GLU 10 1HB GLU 10 -16.044 8.808 -4.767 43 HB3 GLU 10 2HB GLU 10 -15.392 10.241 -5.551 44 HG2 GLU 10 1HG GLU 10 -13.399 8.687 -6.146 45 HG3 GLU 10 2HG GLU 10 -14.549 7.393 -5.814 46 H LYS 11 H LYS 11 -12.167 9.826 -2.469 47 HA LYS 11 HA LYS 11 -10.784 11.830 -3.784 48 HB2 LYS 11 1HB LYS 11 -9.556 9.477 -2.337 49 HB3 LYS 11 2HB LYS 11 -8.794 11.034 -2.633 50 HG2 LYS 11 1HG LYS 11 -11.324 10.773 -1.041 51 HG3 LYS 11 2HG LYS 11 -9.725 10.619 -0.310 52 HD2 LYS 11 1HD LYS 11 -9.253 12.887 -1.484 53 HD3 LYS 11 2HD LYS 11 -11.012 13.011 -1.570 54 HE2 LYS 11 1HE LYS 11 -10.949 12.467 0.949 55 HE3 LYS 11 2HE LYS 11 -9.243 12.897 0.848 56 HZ1 LYS 11 3HZ LYS 11 -11.348 14.714 -0.151 57 HZ2 LYS 11 1HZ LYS 11 -9.751 15.080 0.272 58 HZ3 LYS 11 2HZ LYS 11 -10.883 14.717 1.475 59 HA PRO 12 HA PRO 12 -9.244 10.118 -7.523 60 HB2 PRO 12 1HB PRO 12 -6.888 11.446 -7.762 61 HB3 PRO 12 2HB PRO 12 -8.457 12.220 -8.016 62 HG2 PRO 12 1HG PRO 12 -6.690 12.267 -5.600 63 HG3 PRO 12 2HG PRO 12 -7.590 13.596 -6.353 64 HD2 PRO 12 1HD PRO 12 -8.475 12.306 -4.144 65 HD3 PRO 12 2HD PRO 12 -9.577 12.980 -5.362 66 H TYR 13 H TYR 13 -7.608 9.694 -4.555 67 HA TYR 13 HA TYR 13 -5.685 7.823 -5.747 68 HB2 TYR 13 1HB TYR 13 -5.778 8.898 -2.922 69 HB3 TYR 13 2HB TYR 13 -4.490 7.928 -3.630 70 HD1 TYR 13 HD1 TYR 13 -3.188 8.923 -5.586 71 HD2 TYR 13 HD2 TYR 13 -5.740 11.235 -3.087 72 HE1 TYR 13 HE1 TYR 13 -2.045 10.972 -6.325 73 HE2 TYR 13 HE2 TYR 13 -4.605 13.290 -3.819 74 HH TYR 13 HH TYR 13 -3.102 14.169 -5.209 75 H LYS 14 H LYS 14 -6.400 5.807 -5.883 76 HA LYS 14 HA LYS 14 -7.779 4.652 -3.558 77 HB2 LYS 14 1HB LYS 14 -9.505 5.079 -5.191 78 HB3 LYS 14 2HB LYS 14 -8.549 4.328 -6.462 79 HG2 LYS 14 1HG LYS 14 -9.958 2.613 -6.001 80 HG3 LYS 14 2HG LYS 14 -8.683 2.247 -4.835 81 HD2 LYS 14 1HD LYS 14 -9.923 3.215 -3.052 82 HD3 LYS 14 2HD LYS 14 -11.099 3.917 -4.165 83 HE2 LYS 14 1HE LYS 14 -10.721 0.967 -4.186 84 HE3 LYS 14 2HE LYS 14 -11.597 1.685 -2.835 85 HZ1 LYS 14 3HZ LYS 14 -13.210 1.161 -4.431 86 HZ2 LYS 14 1HZ LYS 14 -12.288 1.772 -5.711 87 HZ3 LYS 14 2HZ LYS 14 -12.984 2.830 -4.590 88 H CYS 15 H CYS 15 -7.364 2.475 -3.151 89 HA CYS 15 HA CYS 15 -4.903 1.485 -4.359 90 HB2 CYS 15 1HB CYS 15 -5.105 1.517 -1.902 91 HB3 CYS 15 2HB CYS 15 -6.487 0.431 -2.006 92 H ASN 16 H ASN 16 -4.879 -0.012 -5.893 93 HA ASN 16 HA ASN 16 -7.354 -1.369 -6.602 94 HB2 ASN 16 1HB ASN 16 -4.744 -0.858 -7.956 95 HB3 ASN 16 2HB ASN 16 -5.686 -2.253 -8.474 96 HD21 ASN 16 1HD2 ASN 16 -6.252 -1.501 -10.454 97 HD22 ASN 16 2HD2 ASN 16 -7.282 -0.137 -10.705 98 H GLU 17 H GLU 17 -5.492 -2.022 -4.240 99 HA GLU 17 HA GLU 17 -4.928 -4.829 -4.889 100 HB2 GLU 17 1HB GLU 17 -4.090 -3.355 -2.396 101 HB3 GLU 17 2HB GLU 17 -3.450 -4.868 -3.021 102 HG2 GLU 17 1HG GLU 17 -3.092 -2.121 -4.189 103 HG3 GLU 17 2HG GLU 17 -1.863 -3.133 -3.433 104 H CYS 18 H CYS 18 -6.427 -2.828 -2.359 105 HA CYS 18 HA CYS 18 -8.067 -5.162 -1.615 106 HB2 CYS 18 1HB CYS 18 -8.218 -4.159 0.652 107 HB3 CYS 18 2HB CYS 18 -6.572 -4.592 0.204 108 H GLY 19 H GLY 19 -8.015 -1.612 -1.797 109 HA2 GLY 19 1HA GLY 19 -9.954 -0.714 -3.133 110 HA3 GLY 19 2HA GLY 19 -10.957 -1.684 -2.065 111 H LYS 20 H LYS 20 -8.126 0.165 -1.085 112 HA LYS 20 HA LYS 20 -9.858 1.734 0.688 113 HB2 LYS 20 1HB LYS 20 -6.946 0.998 0.759 114 HB3 LYS 20 2HB LYS 20 -7.553 2.347 1.710 115 HG2 LYS 20 1HG LYS 20 -9.165 0.802 2.784 116 HG3 LYS 20 2HG LYS 20 -8.412 -0.531 1.906 117 HD2 LYS 20 1HD LYS 20 -6.252 0.044 2.977 118 HD3 LYS 20 2HD LYS 20 -7.084 1.284 3.918 119 HE2 LYS 20 1HE LYS 20 -6.799 -0.761 5.216 120 HE3 LYS 20 2HE LYS 20 -8.505 -0.428 4.925 121 HZ1 LYS 20 3HZ LYS 20 -6.891 -2.311 3.296 122 HZ2 LYS 20 1HZ LYS 20 -8.567 -2.086 3.238 123 HZ3 LYS 20 2HZ LYS 20 -7.855 -2.784 4.604 124 H VAL 21 H VAL 21 -9.869 3.951 0.688 125 HA VAL 21 HA VAL 21 -8.534 5.229 -1.604 126 HB VAL 21 HB VAL 21 -10.746 6.583 -0.130 127 HG11 VAL 21 1HG1 VAL 21 -10.326 6.446 -3.092 128 HG12 VAL 21 2HG1 VAL 21 -11.089 7.714 -2.131 129 HG13 VAL 21 3HG1 VAL 21 -9.338 7.506 -2.088 130 HG21 VAL 21 3HG2 VAL 21 -11.457 4.207 -0.533 131 HG22 VAL 21 1HG2 VAL 21 -12.458 5.430 -1.317 132 HG23 VAL 21 2HG2 VAL 21 -11.278 4.519 -2.260 133 H PHE 22 H PHE 22 -7.454 7.187 -1.343 134 HA PHE 22 HA PHE 22 -7.026 8.101 1.416 135 HB2 PHE 22 1HB PHE 22 -4.828 7.712 -0.626 136 HB3 PHE 22 2HB PHE 22 -4.629 8.321 1.014 137 HD1 PHE 22 HD2 PHE 22 -5.523 5.345 -0.979 138 HD2 PHE 22 HD1 PHE 22 -4.424 6.855 2.846 139 HE1 PHE 22 HE2 PHE 22 -5.185 3.045 -0.172 140 HE2 PHE 22 HE1 PHE 22 -4.084 4.558 3.659 141 HZ PHE 22 HZ PHE 22 -4.466 2.649 2.150 142 H THR 23 H THR 23 -6.320 10.294 1.612 143 HA THR 23 HA THR 23 -7.544 12.025 -0.305 144 HB THR 23 HB THR 23 -7.593 12.600 2.063 145 HG1 THR 23 HG1 THR 23 -6.368 14.775 1.692 146 HG21 THR 23 3HG2 THR 23 -5.478 13.446 3.130 147 HG22 THR 23 1HG2 THR 23 -4.593 12.738 1.779 148 HG23 THR 23 2HG2 THR 23 -5.528 11.704 2.860 149 H GLN 24 H GLN 24 -4.242 11.111 0.482 150 HA GLN 24 HA GLN 24 -3.327 12.681 -1.837 151 HB2 GLN 24 1HB GLN 24 -1.919 12.155 0.780 152 HB3 GLN 24 2HB GLN 24 -1.103 12.787 -0.643 153 HG2 GLN 24 1HG GLN 24 -3.019 14.580 -0.544 154 HG3 GLN 24 2HG GLN 24 -3.082 14.092 1.148 155 HE21 GLN 24 1HE2 GLN 24 -1.290 14.464 2.473 156 HE22 GLN 24 2HE2 GLN 24 -0.062 15.600 2.043 157 H ASN 25 H ASN 25 -1.066 11.808 -2.561 158 HA ASN 25 HA ASN 25 -1.486 9.068 -3.319 159 HB2 ASN 25 1HB ASN 25 -0.583 10.553 -4.979 160 HB3 ASN 25 2HB ASN 25 0.735 11.030 -3.912 161 HD21 ASN 25 1HD2 ASN 25 2.406 10.393 -5.169 162 HD22 ASN 25 2HD2 ASN 25 2.722 8.748 -5.596 163 H SER 26 H SER 26 1.084 10.796 -1.554 164 HA SER 26 HA SER 26 2.828 8.879 -0.898 165 HB2 SER 26 1HB SER 26 1.641 10.813 1.106 166 HB3 SER 26 2HB SER 26 3.190 9.986 1.267 167 HG SER 26 HG SER 26 3.924 11.690 0.277 168 H HIS 27 H HIS 27 -0.154 9.420 0.983 169 HA HIS 27 HA HIS 27 0.070 7.302 2.740 170 HB2 HIS 27 1HB HIS 27 -2.553 8.171 1.530 171 HB3 HIS 27 2HB HIS 27 -2.269 7.518 3.140 172 HD1 HIS 27 HD1 HIS 27 -3.681 10.262 2.598 173 HD2 HIS 27 HD2 HIS 27 0.327 9.770 3.574 174 HE1 HIS 27 HE1 HIS 27 -2.958 12.455 3.596 175 H LEU 28 H LEU 28 -1.375 7.323 -0.500 176 HA LEU 28 HA LEU 28 -2.206 4.622 -0.475 177 HB2 LEU 28 1HB LEU 28 -3.144 6.199 -2.037 178 HB3 LEU 28 2HB LEU 28 -1.562 6.476 -2.761 179 HG LEU 28 HG LEU 28 -1.563 4.164 -3.603 180 HD11 LEU 28 1HD1 LEU 28 -4.281 4.084 -2.315 181 HD12 LEU 28 2HD1 LEU 28 -2.904 3.024 -2.014 182 HD13 LEU 28 3HD1 LEU 28 -3.758 2.943 -3.555 183 HD21 LEU 28 3HD2 LEU 28 -2.503 4.947 -5.457 184 HD22 LEU 28 1HD2 LEU 28 -3.057 6.339 -4.525 185 HD23 LEU 28 2HD2 LEU 28 -4.104 4.932 -4.715 186 H ALA 29 H ALA 29 0.769 6.209 -1.510 187 HA ALA 29 HA ALA 29 1.965 3.954 -2.720 188 HB1 ALA 29 3HB ALA 29 2.734 6.245 -3.119 189 HB2 ALA 29 1HB ALA 29 3.301 6.342 -1.451 190 HB3 ALA 29 2HB ALA 29 4.049 5.204 -2.573 191 H ARG 30 H ARG 30 2.241 5.312 0.554 192 HA ARG 30 HA ARG 30 4.040 3.303 1.476 193 HB2 ARG 30 1HB ARG 30 3.873 4.322 3.589 194 HB3 ARG 30 2HB ARG 30 3.683 5.643 2.443 195 HG2 ARG 30 1HG ARG 30 1.369 5.788 2.832 196 HG3 ARG 30 2HG ARG 30 1.332 4.230 3.661 197 HD2 ARG 30 1HD ARG 30 3.011 6.456 4.737 198 HD3 ARG 30 2HD ARG 30 1.273 6.443 5.036 199 HE ARG 30 HE ARG 30 1.959 3.984 5.809 200 HH11 ARG 30 1HH1 ARG 30 3.396 7.081 6.490 201 HH12 ARG 30 2HH1 ARG 30 3.989 6.609 8.048 202 HH21 ARG 30 1HH2 ARG 30 2.734 3.351 7.859 203 HH22 ARG 30 2HH2 ARG 30 3.612 4.487 8.825 204 H HIS 31 H HIS 31 0.709 3.329 0.886 205 HA HIS 31 HA HIS 31 0.091 1.279 2.859 206 HB2 HIS 31 1HB HIS 31 -1.648 2.865 2.611 207 HB3 HIS 31 2HB HIS 31 -1.565 2.801 0.853 208 HD1 HIS 31 HD1 HIS 31 -2.637 0.649 3.782 209 HD2 HIS 31 HD2 HIS 31 -3.282 1.025 -0.305 210 HE1 HIS 31 HE1 HIS 31 -4.488 -0.965 3.243 211 H ARG 32 H ARG 32 0.016 1.642 -0.683 212 HA ARG 32 HA ARG 32 -0.789 -0.827 -1.478 213 HB2 ARG 32 1HB ARG 32 1.336 0.973 -2.621 214 HB3 ARG 32 2HB ARG 32 0.879 -0.531 -3.409 215 HG2 ARG 32 1HG ARG 32 -1.547 0.501 -3.139 216 HG3 ARG 32 2HG ARG 32 -0.625 2.005 -3.139 217 HD2 ARG 32 1HD ARG 32 0.407 1.387 -5.258 218 HD3 ARG 32 2HD ARG 32 -0.470 -0.143 -5.250 219 HE ARG 32 HE ARG 32 -2.143 2.204 -5.114 220 HH11 ARG 32 1HH1 ARG 32 -0.546 -0.097 -7.182 221 HH12 ARG 32 2HH1 ARG 32 -1.606 0.178 -8.525 222 HH21 ARG 32 1HH2 ARG 32 -3.545 2.575 -6.875 223 HH22 ARG 32 2HH2 ARG 32 -3.310 1.699 -8.349 224 H ARG 33 H ARG 33 2.467 0.064 -0.406 225 HA ARG 33 HA ARG 33 3.892 -2.197 -0.956 226 HB2 ARG 33 1HB ARG 33 5.131 -1.713 1.222 227 HB3 ARG 33 2HB ARG 33 5.054 -0.409 0.045 228 HG2 ARG 33 1HG ARG 33 4.503 0.780 1.882 229 HG3 ARG 33 2HG ARG 33 2.887 0.201 1.471 230 HD2 ARG 33 1HD ARG 33 3.082 -0.249 3.752 231 HD3 ARG 33 2HD ARG 33 3.432 -1.796 2.983 232 HE ARG 33 HE ARG 33 5.884 -0.782 3.262 233 HH11 ARG 33 1HH1 ARG 33 3.223 -0.984 5.498 234 HH12 ARG 33 2HH1 ARG 33 4.238 -1.091 6.898 235 HH21 ARG 33 1HH2 ARG 33 7.230 -0.921 5.098 236 HH22 ARG 33 2HH2 ARG 33 6.517 -1.054 6.670 237 H VAL 34 H VAL 34 1.551 -1.727 1.630 238 HA VAL 34 HA VAL 34 1.962 -3.857 3.270 239 HB VAL 34 HB VAL 34 -0.422 -3.913 3.731 240 HG11 VAL 34 1HG1 VAL 34 0.331 -2.113 4.878 241 HG12 VAL 34 2HG1 VAL 34 1.019 -1.349 3.444 242 HG13 VAL 34 3HG1 VAL 34 -0.715 -1.250 3.751 243 HG21 VAL 34 3HG2 VAL 34 -0.584 -2.885 0.999 244 HG22 VAL 34 1HG2 VAL 34 -1.765 -3.795 1.942 245 HG23 VAL 34 2HG2 VAL 34 -1.635 -2.047 2.140 246 H HIS 35 H HIS 35 0.663 -3.923 0.015 247 HA HIS 35 HA HIS 35 0.092 -6.775 0.193 248 HB2 HIS 35 1HB HIS 35 -0.221 -4.905 -2.164 249 HB3 HIS 35 2HB HIS 35 -0.858 -6.542 -2.035 250 HD1 HIS 35 HD1 HIS 35 -2.817 -6.886 -0.267 251 HD2 HIS 35 HD2 HIS 35 -1.820 -2.941 -1.106 252 HE1 HIS 35 HE1 HIS 35 -4.743 -5.511 0.583 253 H THR 36 H THR 36 2.466 -7.112 0.604 254 HA THR 36 HA THR 36 3.802 -7.605 -1.962 255 HB THR 36 HB THR 36 5.980 -6.947 -0.982 256 HG1 THR 36 HG1 THR 36 5.514 -7.091 1.220 257 HG21 THR 36 3HG2 THR 36 5.268 -5.226 -2.303 258 HG22 THR 36 1HG2 THR 36 5.263 -4.394 -0.749 259 HG23 THR 36 2HG2 THR 36 3.757 -5.024 -1.416 260 H GLY 37 H GLY 37 3.937 -9.754 -2.067 261 HA2 GLY 37 1HA GLY 37 4.254 -11.947 -1.449 262 HA3 GLY 37 2HA GLY 37 5.592 -11.304 -0.509 263 H GLY 38 H GLY 38 4.871 -13.292 0.768 264 HA2 GLY 38 1HA GLY 38 4.012 -14.103 2.736 265 HA3 GLY 38 2HA GLY 38 3.679 -12.431 3.166 266 H LYS 39 H LYS 39 2.406 -15.283 1.552 267 HA LYS 39 HA LYS 39 -0.301 -14.314 2.132 268 HB2 LYS 39 1HB LYS 39 0.779 -15.203 -0.517 269 HB3 LYS 39 2HB LYS 39 -0.909 -15.502 -0.125 270 HG2 LYS 39 1HG LYS 39 0.135 -12.757 0.282 271 HG3 LYS 39 2HG LYS 39 -0.120 -13.311 -1.374 272 HD2 LYS 39 1HD LYS 39 -2.193 -12.459 -0.950 273 HD3 LYS 39 2HD LYS 39 -2.437 -14.103 -0.354 274 HE2 LYS 39 1HE LYS 39 -2.059 -13.397 1.909 275 HE3 LYS 39 2HE LYS 39 -1.593 -11.783 1.376 276 HZ1 LYS 39 3HZ LYS 39 -3.927 -11.683 0.394 277 HZ2 LYS 39 1HZ LYS 39 -3.784 -11.554 2.075 278 HZ3 LYS 39 2HZ LYS 39 -4.277 -13.014 1.377 279 HA PRO 40 HA PRO 40 -1.065 -18.351 3.674 280 HB2 PRO 40 1HB PRO 40 -3.681 -18.701 3.037 281 HB3 PRO 40 2HB PRO 40 -3.141 -17.599 4.309 282 HG2 PRO 40 1HG PRO 40 -3.929 -16.992 1.485 283 HG3 PRO 40 2HG PRO 40 -4.341 -16.121 2.973 284 HD2 PRO 40 1HD PRO 40 -2.389 -15.290 1.292 285 HD3 PRO 40 2HD PRO 40 -2.312 -15.031 3.046 286 H SER 41 H SER 41 -0.820 -17.754 0.446 287 HA SER 41 HA SER 41 -1.771 -20.324 -0.507 288 HB2 SER 41 1HB SER 41 -2.054 -18.340 -1.926 289 HB3 SER 41 2HB SER 41 -0.307 -18.105 -1.959 290 HG SER 41 HG SER 41 -1.576 -20.471 -2.864 291 H GLY 42 H GLY 42 -0.541 -21.994 0.154 292 HA2 GLY 42 1HA GLY 42 1.547 -23.094 -0.851 293 HA3 GLY 42 2HA GLY 42 2.385 -21.745 -0.099 294 HA PRO 43 HA PRO 43 1.753 -25.456 2.832 295 HB2 PRO 43 1HB PRO 43 4.255 -26.503 2.717 296 HB3 PRO 43 2HB PRO 43 2.946 -27.023 1.649 297 HG2 PRO 43 1HG PRO 43 5.181 -25.107 1.109 298 HG3 PRO 43 2HG PRO 43 4.528 -26.386 0.069 299 HD2 PRO 43 1HD PRO 43 3.876 -23.777 -0.246 300 HD3 PRO 43 2HD PRO 43 2.744 -25.094 -0.612 301 H SER 44 H SER 44 1.637 -23.721 4.350 302 HA SER 44 HA SER 44 4.216 -23.158 5.654 303 HB2 SER 44 1HB SER 44 1.924 -21.210 5.299 304 HB3 SER 44 2HB SER 44 3.400 -20.897 6.212 305 HG SER 44 HG SER 44 3.882 -20.090 4.275 306 H SER 45 H SER 45 0.700 -23.356 6.023 307 HA SER 45 HA SER 45 1.046 -23.745 8.912 308 HB2 SER 45 1HB SER 45 -0.561 -22.022 8.340 309 HB3 SER 45 2HB SER 45 -1.423 -23.130 7.273 310 HG SER 45 HG SER 45 -1.748 -24.436 9.230 311 H GLY 46 H GLY 46 -0.862 -25.108 6.218 312 HA2 GLY 46 1HA GLY 46 -0.865 -27.451 5.722 313 HA3 GLY 46 2HA GLY 46 -0.455 -27.770 7.401 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -26.264 5.585 19.466 2 HA2 GLY 1 1HA GLY 1 -24.719 4.035 17.830 3 HA3 GLY 1 2HA GLY 1 -26.234 4.192 16.954 4 H SER 2 H SER 2 -24.420 5.165 15.501 5 HA SER 2 HA SER 2 -24.893 7.950 15.354 6 HB2 SER 2 1HB SER 2 -22.689 8.824 15.815 7 HB3 SER 2 2HB SER 2 -23.224 7.906 17.223 8 HG SER 2 HG SER 2 -21.056 7.426 16.610 9 H SER 3 H SER 3 -25.177 8.033 13.227 10 HA SER 3 HA SER 3 -23.045 6.978 11.497 11 HB2 SER 3 1HB SER 3 -24.866 5.392 11.348 12 HB3 SER 3 2HB SER 3 -26.028 6.690 11.076 13 HG SER 3 HG SER 3 -23.893 6.584 9.316 14 H GLY 4 H GLY 4 -22.115 8.787 10.753 15 HA2 GLY 4 1HA GLY 4 -23.867 10.748 9.423 16 HA3 GLY 4 2HA GLY 4 -22.608 11.292 10.522 17 H SER 5 H SER 5 -23.000 11.820 7.649 18 HA SER 5 HA SER 5 -20.790 10.417 6.381 19 HB2 SER 5 1HB SER 5 -22.872 12.362 5.414 20 HB3 SER 5 2HB SER 5 -21.459 11.985 4.428 21 HG SER 5 HG SER 5 -23.337 10.642 4.032 22 H SER 6 H SER 6 -18.807 11.231 6.042 23 HA SER 6 HA SER 6 -18.217 13.855 7.191 24 HB2 SER 6 1HB SER 6 -16.403 11.576 6.369 25 HB3 SER 6 2HB SER 6 -15.836 13.108 7.034 26 HG SER 6 HG SER 6 -16.033 11.566 8.675 27 H GLY 7 H GLY 7 -19.001 15.160 5.494 28 HA2 GLY 7 1HA GLY 7 -18.932 16.259 3.471 29 HA3 GLY 7 2HA GLY 7 -17.193 16.102 3.666 30 H THR 8 H THR 8 -17.516 16.134 1.222 31 HA THR 8 HA THR 8 -18.642 14.241 -0.342 32 HB THR 8 HB THR 8 -17.273 16.092 -1.225 33 HG1 THR 8 HG1 THR 8 -17.053 14.966 -3.009 34 HG21 THR 8 3HG2 THR 8 -14.946 14.365 -0.376 35 HG22 THR 8 1HG2 THR 8 -15.364 15.953 0.266 36 HG23 THR 8 2HG2 THR 8 -14.825 15.791 -1.405 37 H GLY 9 H GLY 9 -18.166 12.179 -1.097 38 HA2 GLY 9 1HA GLY 9 -16.139 10.708 0.474 39 HA3 GLY 9 2HA GLY 9 -17.711 10.029 0.080 40 H GLU 10 H GLU 10 -15.007 11.587 -1.653 41 HA GLU 10 HA GLU 10 -14.550 9.273 -3.266 42 HB2 GLU 10 1HB GLU 10 -15.141 10.283 -5.431 43 HB3 GLU 10 2HB GLU 10 -16.549 10.073 -4.399 44 HG2 GLU 10 1HG GLU 10 -16.175 12.515 -3.722 45 HG3 GLU 10 2HG GLU 10 -15.125 12.600 -5.136 46 H LYS 11 H LYS 11 -12.467 9.259 -3.790 47 HA LYS 11 HA LYS 11 -11.077 11.813 -4.197 48 HB2 LYS 11 1HB LYS 11 -9.911 9.542 -2.585 49 HB3 LYS 11 2HB LYS 11 -9.221 11.141 -2.829 50 HG2 LYS 11 1HG LYS 11 -11.390 11.975 -1.679 51 HG3 LYS 11 2HG LYS 11 -11.508 10.312 -1.097 52 HD2 LYS 11 1HD LYS 11 -9.020 10.680 -0.399 53 HD3 LYS 11 2HD LYS 11 -9.441 12.391 -0.505 54 HE2 LYS 11 1HE LYS 11 -11.081 10.432 1.078 55 HE3 LYS 11 2HE LYS 11 -9.687 11.261 1.770 56 HZ1 LYS 11 3HZ LYS 11 -11.211 13.214 0.551 57 HZ2 LYS 11 1HZ LYS 11 -11.036 12.943 2.212 58 HZ3 LYS 11 2HZ LYS 11 -12.318 12.230 1.369 59 HA PRO 12 HA PRO 12 -9.298 9.877 -7.715 60 HB2 PRO 12 1HB PRO 12 -6.918 11.173 -7.862 61 HB3 PRO 12 2HB PRO 12 -8.457 11.941 -8.270 62 HG2 PRO 12 1HG PRO 12 -6.863 12.117 -5.742 63 HG3 PRO 12 2HG PRO 12 -7.694 13.406 -6.633 64 HD2 PRO 12 1HD PRO 12 -8.746 12.251 -4.421 65 HD3 PRO 12 2HD PRO 12 -9.753 12.860 -5.750 66 H TYR 13 H TYR 13 -7.484 9.934 -4.717 67 HA TYR 13 HA TYR 13 -5.617 7.909 -5.629 68 HB2 TYR 13 1HB TYR 13 -5.924 8.968 -2.819 69 HB3 TYR 13 2HB TYR 13 -4.516 8.187 -3.530 70 HD1 TYR 13 HD1 TYR 13 -3.030 9.413 -5.016 71 HD2 TYR 13 HD2 TYR 13 -6.425 11.298 -3.278 72 HE1 TYR 13 HE1 TYR 13 -2.119 11.612 -5.636 73 HE2 TYR 13 HE2 TYR 13 -5.524 13.502 -3.894 74 HH TYR 13 HH TYR 13 -2.334 13.969 -4.895 75 H LYS 14 H LYS 14 -6.592 5.978 -5.911 76 HA LYS 14 HA LYS 14 -7.806 4.751 -3.537 77 HB2 LYS 14 1HB LYS 14 -9.703 5.356 -4.852 78 HB3 LYS 14 2HB LYS 14 -8.946 4.777 -6.330 79 HG2 LYS 14 1HG LYS 14 -8.977 2.471 -5.229 80 HG3 LYS 14 2HG LYS 14 -10.101 3.184 -4.070 81 HD2 LYS 14 1HD LYS 14 -11.504 3.900 -6.032 82 HD3 LYS 14 2HD LYS 14 -10.447 2.920 -7.052 83 HE2 LYS 14 1HE LYS 14 -12.282 1.538 -6.559 84 HE3 LYS 14 2HE LYS 14 -10.993 0.989 -5.490 85 HZ1 LYS 14 3HZ LYS 14 -11.979 2.103 -3.666 86 HZ2 LYS 14 1HZ LYS 14 -13.221 1.242 -4.427 87 HZ3 LYS 14 2HZ LYS 14 -13.088 2.913 -4.653 88 H CYS 15 H CYS 15 -7.053 2.769 -3.106 89 HA CYS 15 HA CYS 15 -4.941 1.676 -4.673 90 HB2 CYS 15 1HB CYS 15 -5.123 1.475 -2.183 91 HB3 CYS 15 2HB CYS 15 -6.457 0.351 -2.417 92 H ASN 16 H ASN 16 -5.048 0.328 -6.339 93 HA ASN 16 HA ASN 16 -7.621 -0.804 -7.086 94 HB2 ASN 16 1HB ASN 16 -5.942 0.390 -8.669 95 HB3 ASN 16 2HB ASN 16 -5.080 -1.146 -8.654 96 HD21 ASN 16 1HD2 ASN 16 -7.646 0.624 -9.965 97 HD22 ASN 16 2HD2 ASN 16 -8.354 -0.638 -10.910 98 H GLU 17 H GLU 17 -5.649 -1.789 -4.897 99 HA GLU 17 HA GLU 17 -5.323 -4.551 -5.827 100 HB2 GLU 17 1HB GLU 17 -4.273 -3.353 -3.264 101 HB3 GLU 17 2HB GLU 17 -3.784 -4.862 -4.022 102 HG2 GLU 17 1HG GLU 17 -3.272 -2.080 -5.044 103 HG3 GLU 17 2HG GLU 17 -2.089 -3.201 -4.373 104 H CYS 18 H CYS 18 -6.365 -2.849 -2.868 105 HA CYS 18 HA CYS 18 -8.095 -5.138 -2.242 106 HB2 CYS 18 1HB CYS 18 -8.221 -4.101 0.036 107 HB3 CYS 18 2HB CYS 18 -6.599 -4.590 -0.443 108 H GLY 19 H GLY 19 -8.123 -1.589 -2.421 109 HA2 GLY 19 1HA GLY 19 -10.102 -0.697 -3.674 110 HA3 GLY 19 2HA GLY 19 -11.068 -1.728 -2.629 111 H LYS 20 H LYS 20 -8.282 0.194 -1.646 112 HA LYS 20 HA LYS 20 -10.026 1.627 0.226 113 HB2 LYS 20 1HB LYS 20 -7.046 1.158 0.167 114 HB3 LYS 20 2HB LYS 20 -7.805 2.289 1.280 115 HG2 LYS 20 1HG LYS 20 -9.110 0.482 2.253 116 HG3 LYS 20 2HG LYS 20 -8.394 -0.661 1.114 117 HD2 LYS 20 1HD LYS 20 -7.020 -1.013 2.900 118 HD3 LYS 20 2HD LYS 20 -6.146 0.314 2.130 119 HE2 LYS 20 1HE LYS 20 -8.266 0.989 4.101 120 HE3 LYS 20 2HE LYS 20 -6.746 0.337 4.712 121 HZ1 LYS 20 3HZ LYS 20 -6.740 2.764 4.616 122 HZ2 LYS 20 1HZ LYS 20 -6.996 2.711 2.945 123 HZ3 LYS 20 2HZ LYS 20 -5.560 2.103 3.600 124 H VAL 21 H VAL 21 -9.335 3.931 0.702 125 HA VAL 21 HA VAL 21 -8.385 5.314 -1.709 126 HB VAL 21 HB VAL 21 -10.711 6.389 -0.137 127 HG11 VAL 21 1HG1 VAL 21 -9.855 6.880 -2.985 128 HG12 VAL 21 2HG1 VAL 21 -11.070 7.767 -2.061 129 HG13 VAL 21 3HG1 VAL 21 -9.366 7.881 -1.619 130 HG21 VAL 21 3HG2 VAL 21 -12.245 5.440 -1.723 131 HG22 VAL 21 1HG2 VAL 21 -10.920 4.735 -2.649 132 HG23 VAL 21 2HG2 VAL 21 -11.282 4.136 -1.030 133 H PHE 22 H PHE 22 -7.476 7.381 -1.345 134 HA PHE 22 HA PHE 22 -7.063 8.173 1.442 135 HB2 PHE 22 1HB PHE 22 -4.778 7.887 -0.518 136 HB3 PHE 22 2HB PHE 22 -4.666 8.374 1.170 137 HD1 PHE 22 HD2 PHE 22 -5.517 5.545 -1.057 138 HD2 PHE 22 HD1 PHE 22 -4.467 6.784 2.877 139 HE1 PHE 22 HE2 PHE 22 -5.206 3.194 -0.404 140 HE2 PHE 22 HE1 PHE 22 -4.153 4.434 3.537 141 HZ PHE 22 HZ PHE 22 -4.524 2.635 1.896 142 H THR 23 H THR 23 -6.099 10.355 1.625 143 HA THR 23 HA THR 23 -7.331 12.124 -0.305 144 HB THR 23 HB THR 23 -7.577 12.687 2.036 145 HG1 THR 23 HG1 THR 23 -7.538 14.593 1.068 146 HG21 THR 23 3HG2 THR 23 -4.567 12.650 2.045 147 HG22 THR 23 1HG2 THR 23 -5.675 11.738 3.070 148 HG23 THR 23 2HG2 THR 23 -5.506 13.481 3.286 149 H GLN 24 H GLN 24 -4.146 11.001 0.514 150 HA GLN 24 HA GLN 24 -3.047 12.700 -1.623 151 HB2 GLN 24 1HB GLN 24 -1.699 11.986 0.987 152 HB3 GLN 24 2HB GLN 24 -0.935 12.844 -0.344 153 HG2 GLN 24 1HG GLN 24 -2.974 14.475 -0.018 154 HG3 GLN 24 2HG GLN 24 -2.971 13.783 1.603 155 HE21 GLN 24 1HE2 GLN 24 -2.537 16.210 1.888 156 HE22 GLN 24 2HE2 GLN 24 -0.873 16.662 1.994 157 H ASN 25 H ASN 25 -1.294 11.806 -2.809 158 HA ASN 25 HA ASN 25 -1.562 9.081 -3.414 159 HB2 ASN 25 1HB ASN 25 0.772 9.535 -4.550 160 HB3 ASN 25 2HB ASN 25 -0.691 10.283 -5.184 161 HD21 ASN 25 1HD2 ASN 25 0.180 12.091 -6.032 162 HD22 ASN 25 2HD2 ASN 25 0.979 13.311 -5.106 163 H SER 26 H SER 26 0.831 10.813 -1.464 164 HA SER 26 HA SER 26 2.687 8.877 -0.968 165 HB2 SER 26 1HB SER 26 1.545 10.755 1.114 166 HB3 SER 26 2HB SER 26 3.122 9.969 1.173 167 HG SER 26 HG SER 26 3.701 11.146 -0.690 168 H HIS 27 H HIS 27 -0.123 9.449 1.159 169 HA HIS 27 HA HIS 27 0.109 7.278 2.806 170 HB2 HIS 27 1HB HIS 27 -2.565 8.174 1.741 171 HB3 HIS 27 2HB HIS 27 -2.190 7.532 3.337 172 HD1 HIS 27 HD1 HIS 27 -3.607 10.301 2.786 173 HD2 HIS 27 HD2 HIS 27 0.414 9.755 3.677 174 HE1 HIS 27 HE1 HIS 27 -2.827 12.492 3.742 175 H LEU 28 H LEU 28 -1.303 7.374 -0.429 176 HA LEU 28 HA LEU 28 -2.286 4.720 -0.428 177 HB2 LEU 28 1HB LEU 28 -3.133 6.312 -2.004 178 HB3 LEU 28 2HB LEU 28 -1.523 6.580 -2.670 179 HG LEU 28 HG LEU 28 -1.526 4.316 -3.594 180 HD11 LEU 28 1HD1 LEU 28 -4.238 4.164 -2.304 181 HD12 LEU 28 2HD1 LEU 28 -2.852 3.101 -2.058 182 HD13 LEU 28 3HD1 LEU 28 -3.720 3.078 -3.594 183 HD21 LEU 28 3HD2 LEU 28 -2.265 5.875 -5.148 184 HD22 LEU 28 1HD2 LEU 28 -3.766 6.182 -4.275 185 HD23 LEU 28 2HD2 LEU 28 -3.553 4.668 -5.154 186 H ALA 29 H ALA 29 0.708 6.152 -1.701 187 HA ALA 29 HA ALA 29 1.809 3.804 -2.758 188 HB1 ALA 29 3HB ALA 29 2.749 5.892 -3.388 189 HB2 ALA 29 1HB ALA 29 3.113 6.308 -1.713 190 HB3 ALA 29 2HB ALA 29 4.000 5.009 -2.512 191 H ARG 30 H ARG 30 2.339 5.334 0.416 192 HA ARG 30 HA ARG 30 4.070 3.347 1.412 193 HB2 ARG 30 1HB ARG 30 3.639 4.324 3.609 194 HB3 ARG 30 2HB ARG 30 3.896 5.582 2.407 195 HG2 ARG 30 1HG ARG 30 1.483 5.937 2.259 196 HG3 ARG 30 2HG ARG 30 1.227 4.674 3.465 197 HD2 ARG 30 1HD ARG 30 2.923 6.169 4.846 198 HD3 ARG 30 2HD ARG 30 2.294 7.429 3.785 199 HE ARG 30 HE ARG 30 0.202 5.903 4.970 200 HH11 ARG 30 1HH1 ARG 30 2.481 8.463 5.577 201 HH12 ARG 30 2HH1 ARG 30 1.508 9.218 6.796 202 HH21 ARG 30 1HH2 ARG 30 -1.089 6.888 6.573 203 HH22 ARG 30 2HH2 ARG 30 -0.522 8.320 7.362 204 H HIS 31 H HIS 31 0.712 3.337 0.874 205 HA HIS 31 HA HIS 31 0.133 1.318 2.879 206 HB2 HIS 31 1HB HIS 31 -1.695 2.728 2.631 207 HB3 HIS 31 2HB HIS 31 -1.489 2.857 0.886 208 HD1 HIS 31 HD1 HIS 31 -2.772 0.458 3.506 209 HD2 HIS 31 HD2 HIS 31 -2.964 1.081 -0.597 210 HE1 HIS 31 HE1 HIS 31 -4.498 -1.163 2.660 211 H ARG 32 H ARG 32 0.085 1.551 -0.674 212 HA ARG 32 HA ARG 32 -0.645 -0.982 -1.364 213 HB2 ARG 32 1HB ARG 32 1.496 0.734 -2.630 214 HB3 ARG 32 2HB ARG 32 0.823 -0.711 -3.374 215 HG2 ARG 32 1HG ARG 32 -1.339 0.291 -3.531 216 HG3 ARG 32 2HG ARG 32 -0.817 1.681 -2.577 217 HD2 ARG 32 1HD ARG 32 0.419 2.573 -4.305 218 HD3 ARG 32 2HD ARG 32 0.636 1.011 -5.094 219 HE ARG 32 HE ARG 32 -1.991 1.377 -5.372 220 HH11 ARG 32 1HH1 ARG 32 0.688 3.533 -5.919 221 HH12 ARG 32 2HH1 ARG 32 -0.112 4.417 -7.177 222 HH21 ARG 32 1HH2 ARG 32 -3.054 2.533 -7.026 223 HH22 ARG 32 2HH2 ARG 32 -2.240 3.848 -7.805 224 H ARG 33 H ARG 33 2.432 0.061 -0.059 225 HA ARG 33 HA ARG 33 4.106 -2.021 -0.632 226 HB2 ARG 33 1HB ARG 33 5.320 -1.494 1.375 227 HB3 ARG 33 2HB ARG 33 4.691 0.004 0.702 228 HG2 ARG 33 1HG ARG 33 4.162 0.328 2.884 229 HG3 ARG 33 2HG ARG 33 2.699 -0.510 2.362 230 HD2 ARG 33 1HD ARG 33 4.064 -2.647 3.032 231 HD3 ARG 33 2HD ARG 33 4.974 -1.502 4.016 232 HE ARG 33 HE ARG 33 2.402 -2.534 4.579 233 HH11 ARG 33 1HH1 ARG 33 4.283 0.388 4.780 234 HH12 ARG 33 2HH1 ARG 33 3.400 1.018 6.130 235 HH21 ARG 33 1HH2 ARG 33 1.231 -1.715 6.357 236 HH22 ARG 33 2HH2 ARG 33 1.665 -0.179 7.027 237 H VAL 34 H VAL 34 1.487 -1.958 1.715 238 HA VAL 34 HA VAL 34 1.983 -4.217 3.198 239 HB VAL 34 HB VAL 34 -0.372 -4.390 3.619 240 HG11 VAL 34 1HG1 VAL 34 0.109 -2.577 4.851 241 HG12 VAL 34 2HG1 VAL 34 0.938 -1.770 3.518 242 HG13 VAL 34 3HG1 VAL 34 -0.821 -1.704 3.633 243 HG21 VAL 34 3HG2 VAL 34 -0.721 -2.708 1.140 244 HG22 VAL 34 1HG2 VAL 34 -1.237 -4.378 1.379 245 HG23 VAL 34 2HG2 VAL 34 -2.012 -3.078 2.284 246 H HIS 35 H HIS 35 0.607 -3.999 -0.045 247 HA HIS 35 HA HIS 35 0.045 -6.797 -0.250 248 HB2 HIS 35 1HB HIS 35 0.288 -4.701 -2.419 249 HB3 HIS 35 2HB HIS 35 -0.388 -6.314 -2.625 250 HD1 HIS 35 HD1 HIS 35 -2.678 -6.783 -1.365 251 HD2 HIS 35 HD2 HIS 35 -1.455 -2.813 -1.449 252 HE1 HIS 35 HE1 HIS 35 -4.713 -5.439 -0.751 253 H THR 36 H THR 36 2.651 -4.677 -1.356 254 HA THR 36 HA THR 36 4.100 -6.969 -2.446 255 HB THR 36 HB THR 36 5.745 -5.260 -3.228 256 HG1 THR 36 HG1 THR 36 4.904 -3.720 -1.494 257 HG21 THR 36 3HG2 THR 36 4.552 -4.900 -5.117 258 HG22 THR 36 1HG2 THR 36 3.176 -4.224 -4.246 259 HG23 THR 36 2HG2 THR 36 3.387 -5.972 -4.340 260 H GLY 37 H GLY 37 3.764 -6.943 0.359 261 HA2 GLY 37 1HA GLY 37 6.497 -6.315 1.289 262 HA3 GLY 37 2HA GLY 37 5.080 -6.331 2.328 263 H GLY 38 H GLY 38 7.108 -8.421 0.297 264 HA2 GLY 38 1HA GLY 38 8.050 -10.454 1.063 265 HA3 GLY 38 2HA GLY 38 6.820 -10.524 2.316 266 H LYS 39 H LYS 39 4.673 -11.169 1.730 267 HA LYS 39 HA LYS 39 4.554 -12.678 -0.799 268 HB2 LYS 39 1HB LYS 39 3.358 -13.498 1.855 269 HB3 LYS 39 2HB LYS 39 3.241 -14.396 0.347 270 HG2 LYS 39 1HG LYS 39 5.951 -13.748 1.361 271 HG3 LYS 39 2HG LYS 39 5.023 -14.991 2.203 272 HD2 LYS 39 1HD LYS 39 6.033 -16.306 0.642 273 HD3 LYS 39 2HD LYS 39 4.616 -15.820 -0.292 274 HE2 LYS 39 1HE LYS 39 6.192 -13.802 -0.951 275 HE3 LYS 39 2HE LYS 39 7.454 -14.964 -0.546 276 HZ1 LYS 39 3HZ LYS 39 6.265 -16.534 -2.092 277 HZ2 LYS 39 1HZ LYS 39 7.035 -15.219 -2.829 278 HZ3 LYS 39 2HZ LYS 39 5.356 -15.209 -2.621 279 HA PRO 40 HA PRO 40 0.904 -10.349 -1.626 280 HB2 PRO 40 1HB PRO 40 -0.190 -11.969 -3.510 281 HB3 PRO 40 2HB PRO 40 1.213 -10.941 -3.824 282 HG2 PRO 40 1HG PRO 40 1.112 -13.864 -3.188 283 HG3 PRO 40 2HG PRO 40 2.095 -13.015 -4.396 284 HD2 PRO 40 1HD PRO 40 3.086 -13.798 -2.001 285 HD3 PRO 40 2HD PRO 40 3.652 -12.338 -2.837 286 H SER 41 H SER 41 -1.387 -10.432 -1.398 287 HA SER 41 HA SER 41 -2.599 -12.852 -0.353 288 HB2 SER 41 1HB SER 41 -1.760 -12.005 1.709 289 HB3 SER 41 2HB SER 41 -2.243 -10.356 1.309 290 HG SER 41 HG SER 41 -3.735 -12.444 2.329 291 H GLY 42 H GLY 42 -4.420 -13.016 -1.474 292 HA2 GLY 42 1HA GLY 42 -6.181 -10.684 -1.661 293 HA3 GLY 42 2HA GLY 42 -5.684 -11.451 -3.162 294 HA PRO 43 HA PRO 43 -8.330 -14.761 -0.839 295 HB2 PRO 43 1HB PRO 43 -9.556 -13.968 1.449 296 HB3 PRO 43 2HB PRO 43 -7.940 -14.684 1.424 297 HG2 PRO 43 1HG PRO 43 -8.733 -11.803 1.595 298 HG3 PRO 43 2HG PRO 43 -7.476 -12.672 2.493 299 HD2 PRO 43 1HD PRO 43 -6.920 -11.103 0.357 300 HD3 PRO 43 2HD PRO 43 -5.972 -12.552 0.750 301 H SER 44 H SER 44 -9.049 -11.622 -1.656 302 HA SER 44 HA SER 44 -11.952 -12.028 -1.622 303 HB2 SER 44 1HB SER 44 -12.161 -9.664 -2.027 304 HB3 SER 44 2HB SER 44 -10.978 -9.884 -0.738 305 HG SER 44 HG SER 44 -9.542 -9.927 -2.861 306 H SER 45 H SER 45 -13.156 -11.302 -3.581 307 HA SER 45 HA SER 45 -12.573 -12.810 -5.793 308 HB2 SER 45 1HB SER 45 -14.721 -11.479 -5.184 309 HB3 SER 45 2HB SER 45 -13.983 -10.173 -6.109 310 HG SER 45 HG SER 45 -14.157 -11.330 -7.923 311 H GLY 46 H GLY 46 -12.047 -9.286 -5.535 312 HA2 GLY 46 1HA GLY 46 -10.649 -9.041 -7.968 313 HA3 GLY 46 2HA GLY 46 -10.595 -7.892 -6.639 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -33.098 0.039 -5.250 2 HA2 GLY 1 1HA GLY 1 -31.045 -1.113 -3.527 3 HA3 GLY 1 2HA GLY 1 -31.156 0.565 -4.037 4 H SER 2 H SER 2 -31.817 -1.683 -1.571 5 HA SER 2 HA SER 2 -33.919 -0.698 -0.150 6 HB2 SER 2 1HB SER 2 -31.274 -1.798 0.777 7 HB3 SER 2 2HB SER 2 -32.514 -1.312 1.933 8 HG SER 2 HG SER 2 -33.225 -3.000 -0.187 9 H SER 3 H SER 3 -30.553 0.400 0.309 10 HA SER 3 HA SER 3 -31.457 3.127 0.669 11 HB2 SER 3 1HB SER 3 -30.268 3.325 2.887 12 HB3 SER 3 2HB SER 3 -31.750 2.369 2.928 13 HG SER 3 HG SER 3 -30.587 0.542 3.120 14 H GLY 4 H GLY 4 -29.783 4.664 0.506 15 HA2 GLY 4 1HA GLY 4 -27.273 4.924 0.556 16 HA3 GLY 4 2HA GLY 4 -27.254 3.536 -0.521 17 H SER 5 H SER 5 -27.128 6.843 -0.387 18 HA SER 5 HA SER 5 -28.236 7.179 -3.088 19 HB2 SER 5 1HB SER 5 -29.116 8.705 -1.360 20 HB3 SER 5 2HB SER 5 -27.480 9.286 -1.048 21 HG SER 5 HG SER 5 -28.352 9.378 -3.683 22 H SER 6 H SER 6 -25.371 7.871 -1.122 23 HA SER 6 HA SER 6 -23.622 7.472 -3.343 24 HB2 SER 6 1HB SER 6 -24.236 9.695 -3.987 25 HB3 SER 6 2HB SER 6 -24.068 10.286 -2.335 26 HG SER 6 HG SER 6 -21.804 9.749 -2.527 27 H GLY 7 H GLY 7 -21.968 6.443 -2.454 28 HA2 GLY 7 1HA GLY 7 -21.030 7.343 0.200 29 HA3 GLY 7 2HA GLY 7 -21.143 5.641 -0.225 30 H THR 8 H THR 8 -19.861 8.477 -1.957 31 HA THR 8 HA THR 8 -17.238 7.145 -2.022 32 HB THR 8 HB THR 8 -18.557 8.544 -4.357 33 HG1 THR 8 HG1 THR 8 -18.239 6.322 -5.240 34 HG21 THR 8 3HG2 THR 8 -16.153 7.007 -4.902 35 HG22 THR 8 1HG2 THR 8 -15.850 8.342 -3.790 36 HG23 THR 8 2HG2 THR 8 -16.567 8.656 -5.371 37 H GLY 9 H GLY 9 -16.203 8.455 -0.586 38 HA2 GLY 9 1HA GLY 9 -16.547 11.200 -0.256 39 HA3 GLY 9 2HA GLY 9 -15.091 10.314 0.172 40 H GLU 10 H GLU 10 -14.752 12.842 -0.623 41 HA GLU 10 HA GLU 10 -14.253 12.948 -3.475 42 HB2 GLU 10 1HB GLU 10 -15.090 14.945 -2.375 43 HB3 GLU 10 2HB GLU 10 -13.722 14.945 -1.270 44 HG2 GLU 10 1HG GLU 10 -12.210 15.527 -2.983 45 HG3 GLU 10 2HG GLU 10 -13.395 15.190 -4.243 46 H LYS 11 H LYS 11 -12.736 11.099 -3.358 47 HA LYS 11 HA LYS 11 -10.012 12.092 -2.948 48 HB2 LYS 11 1HB LYS 11 -11.071 9.473 -1.873 49 HB3 LYS 11 2HB LYS 11 -9.365 9.896 -1.948 50 HG2 LYS 11 1HG LYS 11 -9.794 10.495 0.195 51 HG3 LYS 11 2HG LYS 11 -10.208 12.014 -0.603 52 HD2 LYS 11 1HD LYS 11 -12.470 11.700 -0.322 53 HD3 LYS 11 2HD LYS 11 -12.324 9.942 -0.245 54 HE2 LYS 11 1HE LYS 11 -11.303 11.802 1.894 55 HE3 LYS 11 2HE LYS 11 -12.905 11.067 1.925 56 HZ1 LYS 11 3HZ LYS 11 -10.709 9.971 3.006 57 HZ2 LYS 11 1HZ LYS 11 -10.737 9.207 1.497 58 HZ3 LYS 11 2HZ LYS 11 -12.074 9.094 2.527 59 HA PRO 12 HA PRO 12 -10.099 10.285 -7.081 60 HB2 PRO 12 1HB PRO 12 -7.817 11.505 -7.899 61 HB3 PRO 12 2HB PRO 12 -9.384 12.321 -7.868 62 HG2 PRO 12 1HG PRO 12 -7.144 12.448 -5.886 63 HG3 PRO 12 2HG PRO 12 -8.151 13.762 -6.522 64 HD2 PRO 12 1HD PRO 12 -8.578 12.643 -4.093 65 HD3 PRO 12 2HD PRO 12 -9.897 13.283 -5.095 66 H TYR 13 H TYR 13 -7.853 10.004 -4.512 67 HA TYR 13 HA TYR 13 -6.168 8.098 -5.939 68 HB2 TYR 13 1HB TYR 13 -5.973 9.063 -3.079 69 HB3 TYR 13 2HB TYR 13 -4.765 8.123 -3.947 70 HD1 TYR 13 HD2 TYR 13 -6.557 11.387 -4.051 71 HD2 TYR 13 HD1 TYR 13 -3.057 9.208 -5.099 72 HE1 TYR 13 HE2 TYR 13 -5.499 13.469 -4.822 73 HE2 TYR 13 HE1 TYR 13 -1.988 11.285 -5.872 74 HH TYR 13 HH TYR 13 -3.508 13.961 -6.635 75 H LYS 14 H LYS 14 -6.740 6.040 -6.013 76 HA LYS 14 HA LYS 14 -7.857 4.775 -3.623 77 HB2 LYS 14 1HB LYS 14 -9.848 5.215 -4.821 78 HB3 LYS 14 2HB LYS 14 -9.113 4.783 -6.359 79 HG2 LYS 14 1HG LYS 14 -8.924 2.430 -5.469 80 HG3 LYS 14 2HG LYS 14 -9.948 2.951 -4.129 81 HD2 LYS 14 1HD LYS 14 -11.698 3.590 -5.709 82 HD3 LYS 14 2HD LYS 14 -10.671 3.097 -7.057 83 HE2 LYS 14 1HE LYS 14 -10.770 0.819 -6.414 84 HE3 LYS 14 2HE LYS 14 -11.478 1.218 -4.849 85 HZ1 LYS 14 3HZ LYS 14 -13.341 2.223 -6.366 86 HZ2 LYS 14 1HZ LYS 14 -13.323 0.573 -5.992 87 HZ3 LYS 14 2HZ LYS 14 -12.744 1.108 -7.488 88 H CYS 15 H CYS 15 -7.225 2.683 -3.318 89 HA CYS 15 HA CYS 15 -5.010 1.755 -4.898 90 HB2 CYS 15 1HB CYS 15 -5.099 1.497 -2.427 91 HB3 CYS 15 2HB CYS 15 -6.443 0.375 -2.619 92 H ASN 16 H ASN 16 -5.099 0.449 -6.596 93 HA ASN 16 HA ASN 16 -7.633 -0.781 -7.318 94 HB2 ASN 16 1HB ASN 16 -5.056 -0.868 -8.889 95 HB3 ASN 16 2HB ASN 16 -6.695 -1.108 -9.488 96 HD21 ASN 16 1HD2 ASN 16 -8.005 0.656 -9.861 97 HD22 ASN 16 2HD2 ASN 16 -7.398 2.273 -9.903 98 H GLU 17 H GLU 17 -5.549 -1.716 -5.194 99 HA GLU 17 HA GLU 17 -5.120 -4.442 -6.178 100 HB2 GLU 17 1HB GLU 17 -4.130 -3.276 -3.578 101 HB3 GLU 17 2HB GLU 17 -3.554 -4.719 -4.401 102 HG2 GLU 17 1HG GLU 17 -3.167 -1.855 -5.216 103 HG3 GLU 17 2HG GLU 17 -1.938 -3.024 -4.735 104 H CYS 18 H CYS 18 -6.241 -2.862 -3.180 105 HA CYS 18 HA CYS 18 -7.892 -5.234 -2.639 106 HB2 CYS 18 1HB CYS 18 -7.990 -4.367 -0.306 107 HB3 CYS 18 2HB CYS 18 -6.354 -4.731 -0.844 108 H GLY 19 H GLY 19 -7.998 -1.677 -2.513 109 HA2 GLY 19 1HA GLY 19 -10.035 -0.791 -3.739 110 HA3 GLY 19 2HA GLY 19 -10.941 -1.857 -2.675 111 H LYS 20 H LYS 20 -8.130 0.023 -1.715 112 HA LYS 20 HA LYS 20 -9.775 1.365 0.288 113 HB2 LYS 20 1HB LYS 20 -6.848 0.850 -0.040 114 HB3 LYS 20 2HB LYS 20 -7.366 2.197 0.966 115 HG2 LYS 20 1HG LYS 20 -8.913 0.354 2.040 116 HG3 LYS 20 2HG LYS 20 -7.673 -0.725 1.396 117 HD2 LYS 20 1HD LYS 20 -6.010 0.901 2.533 118 HD3 LYS 20 2HD LYS 20 -7.417 1.438 3.454 119 HE2 LYS 20 1HE LYS 20 -6.633 -1.457 3.242 120 HE3 LYS 20 2HE LYS 20 -5.984 -0.394 4.489 121 HZ1 LYS 20 3HZ LYS 20 -8.115 -1.805 4.924 122 HZ2 LYS 20 1HZ LYS 20 -8.892 -0.533 4.124 123 HZ3 LYS 20 2HZ LYS 20 -7.998 -0.229 5.527 124 H VAL 21 H VAL 21 -9.066 3.699 0.782 125 HA VAL 21 HA VAL 21 -8.465 5.194 -1.666 126 HB VAL 21 HB VAL 21 -10.709 6.063 0.139 127 HG11 VAL 21 1HG1 VAL 21 -11.317 7.476 -1.727 128 HG12 VAL 21 2HG1 VAL 21 -9.625 7.746 -1.305 129 HG13 VAL 21 3HG1 VAL 21 -10.039 6.770 -2.715 130 HG21 VAL 21 3HG2 VAL 21 -11.286 3.865 -0.784 131 HG22 VAL 21 1HG2 VAL 21 -12.289 5.144 -1.470 132 HG23 VAL 21 2HG2 VAL 21 -10.959 4.466 -2.410 133 H PHE 22 H PHE 22 -7.619 7.284 -1.324 134 HA PHE 22 HA PHE 22 -7.057 8.081 1.428 135 HB2 PHE 22 1HB PHE 22 -4.839 7.897 -0.613 136 HB3 PHE 22 2HB PHE 22 -4.694 8.272 1.102 137 HD1 PHE 22 HD2 PHE 22 -5.499 5.589 -1.307 138 HD2 PHE 22 HD1 PHE 22 -4.472 6.568 2.706 139 HE1 PHE 22 HE2 PHE 22 -5.128 3.205 -0.824 140 HE2 PHE 22 HE1 PHE 22 -4.099 4.185 3.195 141 HZ PHE 22 HZ PHE 22 -4.429 2.500 1.429 142 H THR 23 H THR 23 -6.247 10.287 1.595 143 HA THR 23 HA THR 23 -7.546 12.004 -0.329 144 HB THR 23 HB THR 23 -7.767 12.569 2.015 145 HG1 THR 23 HG1 THR 23 -7.362 14.710 1.761 146 HG21 THR 23 3HG2 THR 23 -6.090 12.562 3.505 147 HG22 THR 23 1HG2 THR 23 -5.024 13.477 2.440 148 HG23 THR 23 2HG2 THR 23 -5.160 11.728 2.261 149 H GLN 24 H GLN 24 -4.320 10.966 0.409 150 HA GLN 24 HA GLN 24 -3.311 12.716 -1.731 151 HB2 GLN 24 1HB GLN 24 -2.018 12.075 0.917 152 HB3 GLN 24 2HB GLN 24 -1.121 12.732 -0.445 153 HG2 GLN 24 1HG GLN 24 -2.278 14.763 -0.376 154 HG3 GLN 24 2HG GLN 24 -3.554 14.099 0.643 155 HE21 GLN 24 1HE2 GLN 24 -0.049 14.638 0.655 156 HE22 GLN 24 2HE2 GLN 24 0.047 15.105 2.316 157 H ASN 25 H ASN 25 -0.987 11.875 -2.367 158 HA ASN 25 HA ASN 25 -1.384 9.149 -3.245 159 HB2 ASN 25 1HB ASN 25 -0.471 10.314 -4.994 160 HB3 ASN 25 2HB ASN 25 0.455 11.380 -3.941 161 HD21 ASN 25 1HD2 ASN 25 2.477 11.178 -4.625 162 HD22 ASN 25 2HD2 ASN 25 3.334 9.686 -4.790 163 H SER 26 H SER 26 1.244 10.880 -1.563 164 HA SER 26 HA SER 26 2.950 8.898 -0.936 165 HB2 SER 26 1HB SER 26 3.308 11.183 -0.177 166 HB3 SER 26 2HB SER 26 1.971 11.043 0.964 167 HG SER 26 HG SER 26 3.308 9.161 1.780 168 H HIS 27 H HIS 27 -0.162 9.469 0.622 169 HA HIS 27 HA HIS 27 0.131 7.492 2.635 170 HB2 HIS 27 1HB HIS 27 -2.439 8.566 1.455 171 HB3 HIS 27 2HB HIS 27 -2.246 7.779 3.019 172 HD1 HIS 27 HD1 HIS 27 -3.335 10.733 2.501 173 HD2 HIS 27 HD2 HIS 27 0.470 9.689 3.802 174 HE1 HIS 27 HE1 HIS 27 -2.456 12.761 3.701 175 H LEU 28 H LEU 28 -1.224 7.463 -0.623 176 HA LEU 28 HA LEU 28 -2.236 4.799 -0.450 177 HB2 LEU 28 1HB LEU 28 -3.266 6.221 -2.022 178 HB3 LEU 28 2HB LEU 28 -1.720 6.684 -2.731 179 HG LEU 28 HG LEU 28 -1.493 4.467 -3.717 180 HD11 LEU 28 1HD1 LEU 28 -4.269 3.705 -3.051 181 HD12 LEU 28 2HD1 LEU 28 -3.071 3.546 -1.767 182 HD13 LEU 28 3HD1 LEU 28 -2.840 2.700 -3.297 183 HD21 LEU 28 3HD2 LEU 28 -3.319 6.449 -4.456 184 HD22 LEU 28 1HD2 LEU 28 -4.166 4.918 -4.681 185 HD23 LEU 28 2HD2 LEU 28 -2.621 5.198 -5.485 186 H ALA 29 H ALA 29 0.766 6.260 -1.539 187 HA ALA 29 HA ALA 29 1.845 3.986 -2.822 188 HB1 ALA 29 3HB ALA 29 2.610 6.603 -2.516 189 HB2 ALA 29 1HB ALA 29 3.815 5.731 -1.569 190 HB3 ALA 29 2HB ALA 29 3.571 5.331 -3.270 191 H ARG 30 H ARG 30 2.323 5.280 0.462 192 HA ARG 30 HA ARG 30 4.050 3.240 1.343 193 HB2 ARG 30 1HB ARG 30 3.866 4.181 3.461 194 HB3 ARG 30 2HB ARG 30 3.499 5.540 2.408 195 HG2 ARG 30 1HG ARG 30 1.035 4.809 2.741 196 HG3 ARG 30 2HG ARG 30 1.668 3.948 4.145 197 HD2 ARG 30 1HD ARG 30 2.709 6.114 4.876 198 HD3 ARG 30 2HD ARG 30 1.811 6.902 3.580 199 HE ARG 30 HE ARG 30 -0.124 6.672 4.808 200 HH11 ARG 30 1HH1 ARG 30 2.438 4.822 6.269 201 HH12 ARG 30 2HH1 ARG 30 1.555 4.505 7.725 202 HH21 ARG 30 1HH2 ARG 30 -1.296 6.262 6.721 203 HH22 ARG 30 2HH2 ARG 30 -0.570 5.324 7.981 204 H HIS 31 H HIS 31 0.587 3.423 1.074 205 HA HIS 31 HA HIS 31 -0.037 1.273 2.822 206 HB2 HIS 31 1HB HIS 31 -1.860 2.651 2.384 207 HB3 HIS 31 2HB HIS 31 -1.511 2.733 0.659 208 HD1 HIS 31 HD1 HIS 31 -2.802 0.243 3.216 209 HD2 HIS 31 HD2 HIS 31 -2.975 1.019 -0.862 210 HE1 HIS 31 HE1 HIS 31 -4.456 -1.408 2.288 211 H ARG 32 H ARG 32 0.025 1.442 -0.743 212 HA ARG 32 HA ARG 32 -0.506 -1.109 -1.442 213 HB2 ARG 32 1HB ARG 32 1.654 0.677 -2.569 214 HB3 ARG 32 2HB ARG 32 1.126 -0.816 -3.334 215 HG2 ARG 32 1HG ARG 32 -1.166 0.125 -3.466 216 HG3 ARG 32 2HG ARG 32 -0.530 1.647 -2.839 217 HD2 ARG 32 1HD ARG 32 0.589 0.323 -5.295 218 HD3 ARG 32 2HD ARG 32 -0.773 1.440 -5.366 219 HE ARG 32 HE ARG 32 0.662 3.192 -4.924 220 HH11 ARG 32 1HH1 ARG 32 2.310 0.154 -4.508 221 HH12 ARG 32 2HH1 ARG 32 3.883 0.872 -4.406 222 HH21 ARG 32 1HH2 ARG 32 2.728 4.150 -4.791 223 HH22 ARG 32 2HH2 ARG 32 4.120 3.145 -4.566 224 H ARG 33 H ARG 33 2.349 0.009 0.200 225 HA ARG 33 HA ARG 33 4.201 -1.945 -0.243 226 HB2 ARG 33 1HB ARG 33 3.503 -0.705 2.425 227 HB3 ARG 33 2HB ARG 33 5.000 -1.554 2.062 228 HG2 ARG 33 1HG ARG 33 4.116 0.873 0.532 229 HG3 ARG 33 2HG ARG 33 5.076 0.974 2.009 230 HD2 ARG 33 1HD ARG 33 6.873 -0.231 1.020 231 HD3 ARG 33 2HD ARG 33 5.892 -0.665 -0.380 232 HE ARG 33 HE ARG 33 6.112 2.153 -0.122 233 HH11 ARG 33 1HH1 ARG 33 7.874 -0.678 -1.123 234 HH12 ARG 33 2HH1 ARG 33 8.877 0.182 -2.244 235 HH21 ARG 33 1HH2 ARG 33 7.426 3.297 -1.594 236 HH22 ARG 33 2HH2 ARG 33 8.622 2.443 -2.510 237 H VAL 34 H VAL 34 1.475 -2.104 2.026 238 HA VAL 34 HA VAL 34 1.930 -4.487 3.280 239 HB VAL 34 HB VAL 34 -0.465 -4.749 3.545 240 HG11 VAL 34 1HG1 VAL 34 -0.949 -2.168 4.036 241 HG12 VAL 34 2HG1 VAL 34 0.110 -3.150 5.049 242 HG13 VAL 34 3HG1 VAL 34 0.799 -2.087 3.821 243 HG21 VAL 34 3HG2 VAL 34 -2.003 -3.162 2.349 244 HG22 VAL 34 1HG2 VAL 34 -0.647 -2.752 1.298 245 HG23 VAL 34 2HG2 VAL 34 -1.270 -4.402 1.331 246 H HIS 35 H HIS 35 0.441 -4.034 0.088 247 HA HIS 35 HA HIS 35 -0.102 -6.738 -0.431 248 HB2 HIS 35 1HB HIS 35 0.425 -4.419 -2.294 249 HB3 HIS 35 2HB HIS 35 -0.080 -6.011 -2.853 250 HD1 HIS 35 HD1 HIS 35 -2.529 -6.686 -2.454 251 HD2 HIS 35 HD2 HIS 35 -1.570 -2.910 -1.013 252 HE1 HIS 35 HE1 HIS 35 -4.729 -5.592 -1.919 253 H THR 36 H THR 36 2.626 -4.738 -1.562 254 HA THR 36 HA THR 36 4.048 -7.050 -2.529 255 HB THR 36 HB THR 36 4.282 -4.934 -3.717 256 HG1 THR 36 HG1 THR 36 6.173 -6.528 -3.194 257 HG21 THR 36 3HG2 THR 36 4.031 -3.465 -1.723 258 HG22 THR 36 1HG2 THR 36 5.390 -3.021 -2.755 259 HG23 THR 36 2HG2 THR 36 5.674 -3.893 -1.248 260 H GLY 37 H GLY 37 3.580 -7.586 0.056 261 HA2 GLY 37 1HA GLY 37 5.985 -6.837 1.563 262 HA3 GLY 37 2HA GLY 37 4.540 -7.582 2.232 263 H GLY 38 H GLY 38 4.288 -9.685 0.330 264 HA2 GLY 38 1HA GLY 38 5.435 -11.622 -0.427 265 HA3 GLY 38 2HA GLY 38 6.791 -11.189 0.604 266 H LYS 39 H LYS 39 6.846 -11.879 2.711 267 HA LYS 39 HA LYS 39 5.056 -14.066 3.349 268 HB2 LYS 39 1HB LYS 39 6.577 -14.601 5.107 269 HB3 LYS 39 2HB LYS 39 7.545 -14.162 3.707 270 HG2 LYS 39 1HG LYS 39 7.607 -11.813 4.757 271 HG3 LYS 39 2HG LYS 39 7.085 -12.628 6.233 272 HD2 LYS 39 1HD LYS 39 9.407 -12.619 6.415 273 HD3 LYS 39 2HD LYS 39 9.056 -14.229 5.782 274 HE2 LYS 39 1HE LYS 39 10.832 -13.485 4.466 275 HE3 LYS 39 2HE LYS 39 9.411 -13.180 3.468 276 HZ1 LYS 39 3HZ LYS 39 10.246 -11.010 5.214 277 HZ2 LYS 39 1HZ LYS 39 9.665 -10.961 3.626 278 HZ3 LYS 39 2HZ LYS 39 11.281 -11.361 3.923 279 HA PRO 40 HA PRO 40 2.367 -11.848 6.027 280 HB2 PRO 40 1HB PRO 40 1.633 -13.844 7.715 281 HB3 PRO 40 2HB PRO 40 1.057 -13.735 6.048 282 HG2 PRO 40 1HG PRO 40 3.260 -15.412 7.185 283 HG3 PRO 40 2HG PRO 40 2.009 -15.857 6.011 284 HD2 PRO 40 1HD PRO 40 4.541 -15.240 5.277 285 HD3 PRO 40 2HD PRO 40 3.137 -14.885 4.251 286 H SER 41 H SER 41 3.956 -10.470 6.988 287 HA SER 41 HA SER 41 4.997 -11.406 9.578 288 HB2 SER 41 1HB SER 41 6.681 -9.657 9.402 289 HB3 SER 41 2HB SER 41 6.696 -10.635 7.934 290 HG SER 41 HG SER 41 5.243 -8.214 8.161 291 H GLY 42 H GLY 42 4.405 -10.422 11.431 292 HA2 GLY 42 1HA GLY 42 2.188 -8.577 11.327 293 HA3 GLY 42 2HA GLY 42 2.914 -9.260 12.775 294 HA PRO 43 HA PRO 43 5.063 -5.543 13.635 295 HB2 PRO 43 1HB PRO 43 7.562 -6.359 14.314 296 HB3 PRO 43 2HB PRO 43 6.150 -6.629 15.343 297 HG2 PRO 43 1HG PRO 43 7.506 -8.516 13.456 298 HG3 PRO 43 2HG PRO 43 6.893 -8.818 15.093 299 HD2 PRO 43 1HD PRO 43 5.528 -9.542 12.868 300 HD3 PRO 43 2HD PRO 43 4.717 -9.052 14.369 301 H SER 44 H SER 44 5.105 -4.494 11.633 302 HA SER 44 HA SER 44 7.591 -4.827 10.084 303 HB2 SER 44 1HB SER 44 6.417 -4.210 8.100 304 HB3 SER 44 2HB SER 44 5.412 -5.409 8.916 305 HG SER 44 HG SER 44 5.071 -2.601 9.148 306 H SER 45 H SER 45 8.754 -3.024 9.510 307 HA SER 45 HA SER 45 8.308 -0.677 11.135 308 HB2 SER 45 1HB SER 45 10.498 -1.503 9.231 309 HB3 SER 45 2HB SER 45 10.456 0.096 9.975 310 HG SER 45 HG SER 45 11.396 -2.135 11.011 311 H GLY 46 H GLY 46 7.266 1.096 10.518 312 HA2 GLY 46 1HA GLY 46 7.335 2.747 8.528 313 HA3 GLY 46 2HA GLY 46 6.608 1.399 7.667
Contact the webmaster for help, if required. Saturday, May 18, 2024 5:05:31 PM GMT (wattos1)