NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22229 | 2jn0 | 15079 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASP 4 H ASP 4 6.729 -1.903 9.094 2 HA ASP 4 HA ASP 4 5.522 -1.636 11.687 3 1HB ASP 4 2HB ASP 4 7.040 0.054 10.332 4 2HB ASP 4 1HB ASP 4 5.483 0.599 9.708 5 H TYR 5 H TYR 5 3.554 0.200 11.472 6 HA TYR 5 HA TYR 5 1.465 -1.433 10.166 7 1HB TYR 5 2HB TYR 5 1.147 0.059 12.772 8 2HB TYR 5 1HB TYR 5 0.063 -1.144 12.077 9 HD1 TYR 5 HD1 TYR 5 0.958 -3.541 11.845 10 HD2 TYR 5 HD2 TYR 5 2.829 -0.581 14.261 11 HE1 TYR 5 HE1 TYR 5 2.135 -5.305 13.095 12 HE2 TYR 5 HE2 TYR 5 4.006 -2.334 15.514 13 HH TYR 5 HH TYR 5 3.728 -4.708 16.038 14 H VAL 6 H VAL 6 2.921 1.320 9.670 15 HA VAL 6 HA VAL 6 0.424 2.639 8.882 16 HB VAL 6 HB VAL 6 1.644 4.862 9.172 17 1HG1 VAL 6 1HG1 VAL 6 -0.226 4.171 10.558 18 2HG1 VAL 6 2HG1 VAL 6 0.981 5.024 11.523 19 3HG1 VAL 6 3HG1 VAL 6 0.868 3.266 11.606 20 1HG2 VAL 6 1HG2 VAL 6 3.359 3.156 10.974 21 2HG2 VAL 6 2HG2 VAL 6 3.364 4.918 10.921 22 3HG2 VAL 6 3HG2 VAL 6 3.892 3.993 9.515 23 H MET 7 H MET 7 0.309 3.327 6.873 24 HA MET 7 HA MET 7 2.746 3.146 5.229 25 1HB MET 7 2HB MET 7 1.062 1.488 4.620 26 2HB MET 7 1HB MET 7 -0.152 2.747 4.454 27 1HG MET 7 2HG MET 7 0.993 3.674 2.558 28 2HG MET 7 1HG MET 7 2.329 2.543 2.767 29 1HE MET 7 1HE MET 7 -1.465 2.937 1.805 30 2HE MET 7 2HE MET 7 -1.515 1.812 3.164 31 3HE MET 7 3HE MET 7 -1.934 1.257 1.543 32 H ALA 8 H ALA 8 3.496 5.210 5.249 33 HA ALA 8 HA ALA 8 1.740 7.439 4.700 34 1HB ALA 8 1HB ALA 8 3.806 8.771 4.630 35 2HB ALA 8 2HB ALA 8 4.760 7.294 4.756 36 3HB ALA 8 3HB ALA 8 3.721 7.789 6.092 37 H THR 9 H THR 9 1.156 8.091 2.720 38 HA THR 9 HA THR 9 2.316 6.565 0.499 39 HB THR 9 HB THR 9 0.186 7.183 -0.695 40 HG1 THR 9 HG1 THR 9 -0.770 7.786 1.914 41 1HG2 THR 9 1HG2 THR 9 -1.150 5.482 0.462 42 2HG2 THR 9 2HG2 THR 9 -0.063 5.572 1.848 43 3HG2 THR 9 3HG2 THR 9 0.532 4.972 0.299 44 H LYS 10 H LYS 10 1.743 7.726 -1.655 45 HA LYS 10 HA LYS 10 3.583 9.663 -2.198 46 1HB LYS 10 2HB LYS 10 2.350 8.243 -3.819 47 2HB LYS 10 1HB LYS 10 0.928 9.245 -3.580 48 1HG LYS 10 2HG LYS 10 2.019 11.132 -4.576 49 2HG LYS 10 1HG LYS 10 3.550 10.251 -4.664 50 1HD LYS 10 2HD LYS 10 2.417 10.251 -6.833 51 2HD LYS 10 1HD LYS 10 2.520 8.615 -6.172 52 1HE LYS 10 2HE LYS 10 0.188 9.011 -5.235 53 2HE LYS 10 1HE LYS 10 0.129 10.441 -6.263 54 1HZ LYS 10 1HZ LYS 10 0.545 8.971 -8.183 55 2HZ LYS 10 2HZ LYS 10 -0.908 8.623 -7.380 56 3HZ LYS 10 3HZ LYS 10 0.440 7.623 -7.150 57 H ASP 11 H ASP 11 0.181 10.148 -1.356 58 HA ASP 11 HA ASP 11 0.281 12.976 -1.821 59 1HB ASP 11 2HB ASP 11 -1.819 11.194 -0.587 60 2HB ASP 11 1HB ASP 11 -2.022 12.931 -0.793 61 H GLY 12 H GLY 12 1.512 11.147 0.609 62 1HA GLY 12 2HA GLY 12 2.580 11.968 2.512 63 2HA GLY 12 1HA GLY 12 1.662 13.458 2.361 64 H ARG 13 H ARG 13 -0.648 11.247 2.040 65 HA ARG 13 HA ARG 13 -1.564 11.597 4.730 66 1HB ARG 13 2HB ARG 13 -3.519 10.234 4.009 67 2HB ARG 13 1HB ARG 13 -3.209 11.614 2.964 68 1HG ARG 13 2HG ARG 13 -2.141 10.152 1.342 69 2HG ARG 13 1HG ARG 13 -2.426 8.766 2.389 70 1HD ARG 13 2HD ARG 13 -4.087 8.917 0.588 71 2HD ARG 13 1HD ARG 13 -4.820 9.056 2.185 72 HE ARG 13 HE ARG 13 -4.987 11.459 1.794 73 1HH1 ARG 13 1HH1 ARG 13 -4.441 9.411 -0.999 74 2HH1 ARG 13 2HH1 ARG 13 -5.114 10.549 -2.126 75 1HH2 ARG 13 1HH2 ARG 13 -5.850 12.964 0.315 76 2HH2 ARG 13 2HH2 ARG 13 -5.933 12.565 -1.378 77 H MET 14 H MET 14 -1.534 10.233 6.383 78 HA MET 14 HA MET 14 0.068 7.813 6.108 79 1HB MET 14 2HB MET 14 0.627 9.337 7.942 80 2HB MET 14 1HB MET 14 -1.009 9.197 8.574 81 1HG MET 14 2HG MET 14 -0.616 6.772 8.911 82 2HG MET 14 1HG MET 14 1.056 7.013 8.410 83 1HE MET 14 1HE MET 14 2.803 8.513 9.769 84 2HE MET 14 2HE MET 14 2.382 9.400 11.234 85 3HE MET 14 3HE MET 14 1.678 9.869 9.687 86 H ILE 15 H ILE 15 -0.943 5.989 5.661 87 HA ILE 15 HA ILE 15 -3.728 5.651 6.466 88 HB ILE 15 HB ILE 15 -1.985 4.001 4.627 89 1HG1 ILE 15 2HG1 ILE 15 -4.309 5.859 4.054 90 2HG1 ILE 15 1HG1 ILE 15 -2.614 6.197 3.722 91 1HG2 ILE 15 1HG2 ILE 15 -3.604 2.571 5.726 92 2HG2 ILE 15 2HG2 ILE 15 -4.049 2.800 4.034 93 3HG2 ILE 15 3HG2 ILE 15 -4.907 3.680 5.300 94 1HD1 ILE 15 1HD1 ILE 15 -3.802 5.548 1.708 95 2HD1 ILE 15 2HD1 ILE 15 -4.255 4.017 2.456 96 3HD1 ILE 15 3HD1 ILE 15 -2.561 4.366 2.117 97 H LEU 16 H LEU 16 -4.275 4.497 8.163 98 HA LEU 16 HA LEU 16 -2.329 3.071 9.703 99 1HB LEU 16 2HB LEU 16 -5.337 3.238 9.972 100 2HB LEU 16 1HB LEU 16 -4.287 2.430 11.116 101 HG LEU 16 HG LEU 16 -4.829 4.512 12.076 102 1HD1 LEU 16 1HD1 LEU 16 -2.685 5.661 12.234 103 2HD1 LEU 16 2HD1 LEU 16 -2.105 4.780 10.820 104 3HD1 LEU 16 3HD1 LEU 16 -2.487 3.910 12.307 105 1HD2 LEU 16 1HD2 LEU 16 -5.690 5.656 10.116 106 2HD2 LEU 16 2HD2 LEU 16 -4.058 5.809 9.463 107 3HD2 LEU 16 3HD2 LEU 16 -4.500 6.666 10.940 108 H THR 17 H THR 17 -1.620 1.163 9.102 109 HA THR 17 HA THR 17 -3.426 -0.621 7.613 110 HB THR 17 HB THR 17 -1.163 -1.722 6.943 111 HG1 THR 17 HG1 THR 17 -0.196 0.082 8.511 112 1HG2 THR 17 1HG2 THR 17 -1.853 1.012 5.855 113 2HG2 THR 17 2HG2 THR 17 -2.668 -0.485 5.413 114 3HG2 THR 17 3HG2 THR 17 -0.965 -0.261 5.016 115 H ASP 18 H ASP 18 -3.424 -2.842 8.092 116 HA ASP 18 HA ASP 18 -2.710 -3.790 10.672 117 1HB ASP 18 2HB ASP 18 -4.339 -5.044 9.462 118 2HB ASP 18 1HB ASP 18 -3.324 -5.129 8.029 119 H GLY 19 H GLY 19 -1.107 -3.261 7.719 120 1HA GLY 19 2HA GLY 19 1.168 -2.681 7.592 121 2HA GLY 19 1HA GLY 19 1.472 -3.640 9.036 122 H LYS 20 H LYS 20 3.299 -4.231 7.269 123 HA LYS 20 HA LYS 20 4.208 -6.234 6.642 124 1HB LYS 20 2HB LYS 20 1.603 -7.484 7.517 125 2HB LYS 20 1HB LYS 20 3.163 -8.279 7.360 126 1HG LYS 20 2HG LYS 20 4.043 -6.840 9.167 127 2HG LYS 20 1HG LYS 20 2.434 -6.144 9.355 128 1HD LYS 20 2HD LYS 20 2.527 -7.784 11.010 129 2HD LYS 20 1HD LYS 20 1.647 -8.567 9.695 130 1HE LYS 20 2HE LYS 20 3.261 -10.113 10.562 131 2HE LYS 20 1HE LYS 20 3.788 -9.594 8.961 132 1HZ LYS 20 1HZ LYS 20 5.646 -9.595 10.458 133 2HZ LYS 20 2HZ LYS 20 4.821 -8.608 11.570 134 3HZ LYS 20 3HZ LYS 20 5.278 -7.988 10.064 135 HA PRO 21 HA PRO 21 1.396 -6.065 2.909 136 1HB PRO 21 2HB PRO 21 2.624 -4.290 1.345 137 2HB PRO 21 1HB PRO 21 1.630 -3.777 2.714 138 1HG PRO 21 2HG PRO 21 4.599 -3.899 2.468 139 2HG PRO 21 1HG PRO 21 3.589 -2.712 3.311 140 1HD PRO 21 2HD PRO 21 4.921 -4.875 4.494 141 2HD PRO 21 1HD PRO 21 3.621 -3.920 5.233 142 H GLU 22 H GLU 22 1.535 -7.119 0.995 143 HA GLU 22 HA GLU 22 4.133 -8.302 0.288 144 1HB GLU 22 2HB GLU 22 1.322 -9.299 0.143 145 2HB GLU 22 1HB GLU 22 2.479 -9.877 -1.046 146 1HG GLU 22 2HG GLU 22 2.736 -10.112 1.944 147 2HG GLU 22 1HG GLU 22 2.318 -11.408 0.823 148 H ILE 23 H ILE 23 5.060 -7.463 -1.451 149 HA ILE 23 HA ILE 23 3.429 -5.969 -3.365 150 HB ILE 23 HB ILE 23 6.443 -6.134 -3.144 151 1HG1 ILE 23 2HG1 ILE 23 4.517 -3.981 -2.235 152 2HG1 ILE 23 1HG1 ILE 23 5.476 -5.027 -1.193 153 1HG2 ILE 23 1HG2 ILE 23 5.736 -5.617 -5.403 154 2HG2 ILE 23 2HG2 ILE 23 6.428 -4.182 -4.648 155 3HG2 ILE 23 3HG2 ILE 23 4.679 -4.337 -4.806 156 1HD1 ILE 23 1HD1 ILE 23 6.441 -2.799 -1.359 157 2HD1 ILE 23 2HD1 ILE 23 6.570 -2.977 -3.110 158 3HD1 ILE 23 3HD1 ILE 23 7.521 -4.013 -2.045 159 H ASP 24 H ASP 24 2.915 -6.772 -5.289 160 HA ASP 24 HA ASP 24 4.196 -9.159 -6.317 161 1HB ASP 24 2HB ASP 24 2.080 -7.330 -7.474 162 2HB ASP 24 1HB ASP 24 2.734 -8.715 -8.339 163 H ASP 25 H ASP 25 6.282 -8.766 -6.858 164 HA ASP 25 HA ASP 25 7.101 -6.177 -7.787 165 1HB ASP 25 2HB ASP 25 9.355 -7.030 -7.660 166 2HB ASP 25 1HB ASP 25 8.470 -7.561 -6.234 167 H ASP 26 H ASP 26 5.648 -8.594 -9.394 168 HA ASP 26 HA ASP 26 7.282 -8.495 -11.788 169 1HB ASP 26 2HB ASP 26 5.715 -10.064 -12.738 170 2HB ASP 26 1HB ASP 26 6.086 -10.586 -11.098 171 H THR 27 H THR 27 4.826 -6.680 -10.368 172 HA THR 27 HA THR 27 4.461 -5.211 -12.877 173 HB THR 27 HB THR 27 2.462 -6.542 -12.720 174 HG1 THR 27 HG1 THR 27 2.304 -4.244 -13.290 175 1HG2 THR 27 1HG2 THR 27 2.069 -5.378 -9.964 176 2HG2 THR 27 2HG2 THR 27 2.514 -7.046 -10.327 177 3HG2 THR 27 3HG2 THR 27 0.937 -6.428 -10.818 178 H GLY 28 H GLY 28 4.346 -5.230 -9.361 179 1HA GLY 28 2HA GLY 28 5.325 -3.412 -8.139 180 2HA GLY 28 1HA GLY 28 4.826 -2.326 -9.428 181 H LEU 29 H LEU 29 2.733 -4.781 -8.051 182 HA LEU 29 HA LEU 29 1.060 -2.622 -6.975 183 1HB LEU 29 2HB LEU 29 0.297 -5.497 -7.518 184 2HB LEU 29 1HB LEU 29 -0.784 -4.218 -7.003 185 HG LEU 29 HG LEU 29 0.607 -4.448 -9.668 186 1HD1 LEU 29 1HD1 LEU 29 -2.308 -4.481 -8.905 187 2HD1 LEU 29 2HD1 LEU 29 -1.350 -5.872 -9.414 188 3HD1 LEU 29 3HD1 LEU 29 -1.668 -4.558 -10.547 189 1HD2 LEU 29 1HD2 LEU 29 -0.548 -2.392 -10.285 190 2HD2 LEU 29 2HD2 LEU 29 0.592 -2.124 -8.966 191 3HD2 LEU 29 3HD2 LEU 29 -1.138 -2.222 -8.631 192 H VAL 30 H VAL 30 0.628 -2.480 -4.839 193 HA VAL 30 HA VAL 30 2.113 -4.368 -3.136 194 HB VAL 30 HB VAL 30 1.278 -1.536 -2.502 195 1HG1 VAL 30 1HG1 VAL 30 3.082 -3.446 -1.019 196 2HG1 VAL 30 2HG1 VAL 30 1.483 -2.909 -0.506 197 3HG1 VAL 30 3HG1 VAL 30 2.813 -1.755 -0.596 198 1HG2 VAL 30 1HG2 VAL 30 3.709 -1.050 -2.734 199 2HG2 VAL 30 2HG2 VAL 30 2.923 -1.497 -4.244 200 3HG2 VAL 30 3HG2 VAL 30 3.926 -2.670 -3.391 201 H SER 31 H SER 31 0.846 -5.836 -2.259 202 HA SER 31 HA SER 31 -1.936 -5.295 -1.676 203 1HB SER 31 2HB SER 31 -0.279 -7.761 -1.128 204 2HB SER 31 1HB SER 31 -2.035 -7.656 -1.054 205 HG SER 31 HG SER 31 -0.336 -7.780 -3.259 206 H TYR 32 H TYR 32 -2.285 -4.063 0.079 207 HA TYR 32 HA TYR 32 -0.768 -4.671 2.543 208 1HB TYR 32 2HB TYR 32 -1.163 -2.420 3.264 209 2HB TYR 32 1HB TYR 32 -0.610 -2.321 1.592 210 HD1 TYR 32 HD2 TYR 32 -2.464 -2.136 -0.226 211 HD2 TYR 32 HD1 TYR 32 -3.121 -1.374 3.906 212 HE1 TYR 32 HE2 TYR 32 -4.493 -0.863 -0.785 213 HE2 TYR 32 HE1 TYR 32 -5.139 -0.092 3.355 214 HH TYR 32 HH TYR 32 -6.381 0.773 1.737 215 H HIS 33 H HIS 33 -2.166 -4.054 4.567 216 HA HIS 33 HA HIS 33 -4.937 -4.975 4.136 217 1HB HIS 33 2HB HIS 33 -3.255 -5.383 6.625 218 2HB HIS 33 1HB HIS 33 -4.909 -5.929 6.395 219 HD1 HIS 33 HD1 HIS 33 -2.316 -7.684 7.047 220 HD2 HIS 33 HD2 HIS 33 -4.260 -7.337 3.377 221 HE1 HIS 33 HE1 HIS 33 -1.730 -9.772 5.759 222 HE2 HIS 33 HE2 HIS 33 -2.863 -9.513 3.517 223 H ASP 34 H ASP 34 -6.301 -3.337 4.431 224 HA ASP 34 HA ASP 34 -5.598 -1.005 5.929 225 1HB ASP 34 2HB ASP 34 -7.675 -1.722 4.102 226 2HB ASP 34 1HB ASP 34 -8.407 -1.056 5.560 227 H GLN 35 H GLN 35 -7.376 -0.149 7.475 228 HA GLN 35 HA GLN 35 -7.074 -1.494 9.891 229 1HB GLN 35 2HB GLN 35 -9.243 0.487 9.179 230 2HB GLN 35 1HB GLN 35 -8.664 0.109 10.797 231 1HG GLN 35 2HG GLN 35 -6.520 1.073 10.309 232 2HG GLN 35 1HG GLN 35 -6.977 1.329 8.625 233 1HE2 GLN 35 1HE2 GLN 35 -8.446 2.954 8.113 234 2HE2 GLN 35 2HE2 GLN 35 -8.792 4.244 9.221 235 H GLN 36 H GLN 36 -9.571 -1.747 7.472 236 HA GLN 36 HA GLN 36 -11.458 -3.050 9.216 237 1HB GLN 36 2HB GLN 36 -11.545 -2.877 6.200 238 2HB GLN 36 1HB GLN 36 -12.885 -3.222 7.280 239 1HG GLN 36 2HG GLN 36 -13.200 -1.008 6.616 240 2HG GLN 36 1HG GLN 36 -12.511 -0.893 8.234 241 1HE2 GLN 36 1HE2 GLN 36 -11.732 1.186 7.881 242 2HE2 GLN 36 2HE2 GLN 36 -10.375 1.502 6.845 243 H GLY 37 H GLY 37 -8.653 -4.092 7.964 244 1HA GLY 37 2HA GLY 37 -7.797 -6.240 7.801 245 2HA GLY 37 1HA GLY 37 -9.412 -6.870 8.108 246 H ASN 38 H ASN 38 -8.537 -4.579 5.614 247 HA ASN 38 HA ASN 38 -9.546 -6.477 3.619 248 1HB ASN 38 2HB ASN 38 -9.272 -3.465 3.548 249 2HB ASN 38 1HB ASN 38 -9.772 -4.435 2.168 250 1HD2 ASN 38 1HD2 ASN 38 -11.180 -2.345 3.665 251 2HD2 ASN 38 2HD2 ASN 38 -12.663 -3.073 4.197 252 H ALA 39 H ALA 39 -8.192 -7.391 2.245 253 HA ALA 39 HA ALA 39 -5.457 -6.392 2.040 254 1HB ALA 39 1HB ALA 39 -5.809 -8.800 2.367 255 2HB ALA 39 2HB ALA 39 -4.983 -8.461 0.845 256 3HB ALA 39 3HB ALA 39 -6.699 -8.870 0.846 257 H MET 40 H MET 40 -5.372 -4.671 0.736 258 HA MET 40 HA MET 40 -6.577 -4.928 -1.937 259 1HB MET 40 2HB MET 40 -6.394 -2.463 -0.190 260 2HB MET 40 1HB MET 40 -6.838 -2.426 -1.894 261 1HG MET 40 2HG MET 40 -8.747 -3.873 -1.418 262 2HG MET 40 1HG MET 40 -8.314 -3.885 0.289 263 1HE MET 40 1HE MET 40 -8.891 -2.018 1.962 264 2HE MET 40 2HE MET 40 -9.161 -0.339 1.491 265 3HE MET 40 3HE MET 40 -7.610 -1.110 1.158 266 H GLN 41 H GLN 41 -5.480 -3.630 -3.610 267 HA GLN 41 HA GLN 41 -2.574 -3.648 -3.087 268 1HB GLN 41 2HB GLN 41 -4.146 -4.277 -5.590 269 2HB GLN 41 1HB GLN 41 -2.399 -4.063 -5.572 270 1HG GLN 41 2HG GLN 41 -2.112 -5.945 -4.137 271 2HG GLN 41 1HG GLN 41 -3.851 -6.091 -3.890 272 1HE2 GLN 41 1HE2 GLN 41 -3.795 -8.225 -4.603 273 2HE2 GLN 41 2HE2 GLN 41 -3.628 -8.633 -6.274 274 H ILE 42 H ILE 42 -1.580 -1.723 -3.198 275 HA ILE 42 HA ILE 42 -2.842 0.375 -4.842 276 HB ILE 42 HB ILE 42 -1.789 2.067 -3.556 277 1HG1 ILE 42 2HG1 ILE 42 -0.413 0.045 -1.799 278 2HG1 ILE 42 1HG1 ILE 42 0.361 0.681 -3.249 279 1HG2 ILE 42 1HG2 ILE 42 -2.630 1.623 -1.265 280 2HG2 ILE 42 2HG2 ILE 42 -2.899 -0.056 -1.734 281 3HG2 ILE 42 3HG2 ILE 42 -3.791 1.237 -2.536 282 1HD1 ILE 42 1HD1 ILE 42 -0.674 2.357 -0.982 283 2HD1 ILE 42 2HD1 ILE 42 0.231 2.917 -2.390 284 3HD1 ILE 42 3HD1 ILE 42 1.005 1.870 -1.200 285 H ASN 43 H ASN 43 -0.950 2.066 -5.417 286 HA ASN 43 HA ASN 43 0.719 0.581 -7.259 287 1HB ASN 43 2HB ASN 43 -0.624 2.701 -7.787 288 2HB ASN 43 1HB ASN 43 0.609 3.573 -6.893 289 1HD2 ASN 43 1HD2 ASN 43 -0.202 3.637 -9.732 290 2HD2 ASN 43 2HD2 ASN 43 1.252 3.358 -10.634 291 H ARG 44 H ARG 44 2.908 0.377 -7.128 292 HA ARG 44 HA ARG 44 4.271 0.669 -4.715 293 1HB ARG 44 2HB ARG 44 6.363 0.513 -6.193 294 2HB ARG 44 1HB ARG 44 5.231 -0.832 -6.231 295 1HG ARG 44 2HG ARG 44 4.631 -0.447 -8.378 296 2HG ARG 44 1HG ARG 44 4.826 1.301 -8.238 297 1HD ARG 44 2HD ARG 44 7.247 -0.414 -8.077 298 2HD ARG 44 1HD ARG 44 6.496 -0.169 -9.656 299 HE ARG 44 HE ARG 44 6.670 2.333 -8.934 300 1HH1 ARG 44 1HH1 ARG 44 9.039 -0.187 -8.325 301 2HH1 ARG 44 2HH1 ARG 44 10.392 0.900 -8.401 302 1HH2 ARG 44 1HH2 ARG 44 8.445 3.755 -8.982 303 2HH2 ARG 44 2HH2 ARG 44 10.053 3.135 -8.762 304 H ASP 45 H ASP 45 3.954 2.912 -7.413 305 HA ASP 45 HA ASP 45 5.942 4.734 -6.480 306 1HB ASP 45 2HB ASP 45 3.736 4.915 -8.508 307 2HB ASP 45 1HB ASP 45 4.668 6.342 -8.063 308 H ASP 46 H ASP 46 2.723 4.094 -5.599 309 HA ASP 46 HA ASP 46 2.267 6.689 -4.392 310 1HB ASP 46 2HB ASP 46 0.650 4.171 -4.646 311 2HB ASP 46 1HB ASP 46 0.190 5.403 -3.474 312 H VAL 47 H VAL 47 3.797 3.796 -3.572 313 HA VAL 47 HA VAL 47 3.420 4.046 -0.716 314 HB VAL 47 HB VAL 47 5.555 2.436 -2.121 315 1HG1 VAL 47 1HG1 VAL 47 4.214 2.114 0.555 316 2HG1 VAL 47 2HG1 VAL 47 5.845 2.727 0.281 317 3HG1 VAL 47 3HG1 VAL 47 5.453 1.053 -0.113 318 1HG2 VAL 47 1HG2 VAL 47 2.765 1.557 -1.417 319 2HG2 VAL 47 2HG2 VAL 47 4.044 0.542 -2.073 320 3HG2 VAL 47 3HG2 VAL 47 3.370 1.847 -3.047 321 H SER 48 H SER 48 4.437 5.551 0.443 322 HA SER 48 HA SER 48 6.862 6.740 -0.695 323 1HB SER 48 2HB SER 48 5.038 8.318 -0.451 324 2HB SER 48 1HB SER 48 4.830 7.881 1.242 325 HG SER 48 HG SER 48 6.062 9.857 0.795 326 H GLN 49 H GLN 49 5.547 6.434 2.629 327 HA GLN 49 HA GLN 49 8.232 5.533 3.431 328 1HB GLN 49 2HB GLN 49 6.473 7.581 4.763 329 2HB GLN 49 1HB GLN 49 7.787 6.776 5.608 330 1HG GLN 49 2HG GLN 49 8.060 8.459 3.129 331 2HG GLN 49 1HG GLN 49 8.446 8.964 4.773 332 1HE2 GLN 49 1HE2 GLN 49 10.252 8.073 5.806 333 2HE2 GLN 49 2HE2 GLN 49 11.525 7.312 4.907 334 H ILE 50 H ILE 50 8.017 3.488 3.966 335 HA ILE 50 HA ILE 50 5.841 2.690 5.780 336 HB ILE 50 HB ILE 50 7.832 0.947 4.300 337 1HG1 ILE 50 2HG1 ILE 50 6.240 2.033 2.769 338 2HG1 ILE 50 1HG1 ILE 50 5.953 0.300 2.868 339 1HG2 ILE 50 1HG2 ILE 50 6.389 -0.918 4.984 340 2HG2 ILE 50 2HG2 ILE 50 5.406 0.201 5.928 341 3HG2 ILE 50 3HG2 ILE 50 7.091 -0.078 6.366 342 1HD1 ILE 50 1HD1 ILE 50 4.375 2.437 4.276 343 2HD1 ILE 50 2HD1 ILE 50 4.087 0.701 4.387 344 3HD1 ILE 50 3HD1 ILE 50 3.873 1.532 2.847 345 H ILE 51 H ILE 51 9.290 2.204 5.256 346 HA ILE 51 HA ILE 51 10.189 3.059 7.749 347 HB ILE 51 HB ILE 51 8.996 0.926 8.471 348 1HG1 ILE 51 2HG1 ILE 51 11.987 0.985 8.926 349 2HG1 ILE 51 1HG1 ILE 51 10.817 1.976 9.789 350 1HG2 ILE 51 1HG2 ILE 51 11.229 -0.387 6.926 351 2HG2 ILE 51 2HG2 ILE 51 9.511 -0.448 6.533 352 3HG2 ILE 51 3HG2 ILE 51 10.106 -1.212 8.007 353 1HD1 ILE 51 1HD1 ILE 51 11.506 0.079 11.126 354 2HD1 ILE 51 2HD1 ILE 51 10.990 -1.028 9.854 355 3HD1 ILE 51 3HD1 ILE 51 9.798 -0.050 10.707 356 H GLU 52 H GLU 52 12.611 2.128 7.977 357 HA GLU 52 HA GLU 52 13.880 2.599 5.482 358 1HB GLU 52 2HB GLU 52 14.937 3.194 7.621 359 2HB GLU 52 1HB GLU 52 15.051 1.490 8.041 360 1HG GLU 52 2HG GLU 52 16.655 1.078 6.381 361 2HG GLU 52 1HG GLU 52 16.331 2.612 5.573 362 H ARG 53 H ARG 53 13.808 1.239 3.874 363 HA ARG 53 HA ARG 53 13.448 -1.614 4.399 364 1HB ARG 53 2HB ARG 53 13.187 -0.054 1.816 365 2HB ARG 53 1HB ARG 53 12.747 -1.743 2.050 366 1HG ARG 53 2HG ARG 53 11.040 -1.095 3.651 367 2HG ARG 53 1HG ARG 53 11.494 0.597 3.471 368 1HD ARG 53 2HD ARG 53 10.389 -1.180 1.301 369 2HD ARG 53 1HD ARG 53 9.484 0.040 2.190 370 HE ARG 53 HE ARG 53 11.065 0.464 -0.098 371 1HH1 ARG 53 1HH1 ARG 53 10.569 1.978 3.036 372 2HH1 ARG 53 2HH1 ARG 53 10.753 3.585 2.419 373 1HH2 ARG 53 1HH2 ARG 53 11.300 2.595 -0.890 374 2HH2 ARG 53 2HH2 ARG 53 11.156 3.943 0.206 Start of MODEL 2 1 H ASP 4 H ASP 4 0.665 1.169 15.316 2 HA ASP 4 HA ASP 4 2.549 -0.959 16.095 3 1HB ASP 4 2HB ASP 4 0.131 -1.132 14.280 4 2HB ASP 4 1HB ASP 4 1.160 -2.476 14.764 5 H TYR 5 H TYR 5 1.018 -0.233 12.996 6 HA TYR 5 HA TYR 5 3.640 0.368 11.822 7 1HB TYR 5 2HB TYR 5 1.622 -1.583 10.673 8 2HB TYR 5 1HB TYR 5 3.084 -1.040 9.856 9 HD1 TYR 5 HD2 TYR 5 5.298 -1.775 10.664 10 HD2 TYR 5 HD1 TYR 5 1.703 -3.261 12.388 11 HE1 TYR 5 HE2 TYR 5 6.561 -3.617 11.695 12 HE2 TYR 5 HE1 TYR 5 2.954 -5.106 13.424 13 HH TYR 5 HH TYR 5 5.062 -6.330 13.078 14 H VAL 6 H VAL 6 3.154 1.075 9.392 15 HA VAL 6 HA VAL 6 0.688 2.318 8.839 16 HB VAL 6 HB VAL 6 1.344 3.819 10.680 17 1HG1 VAL 6 1HG1 VAL 6 3.740 4.491 8.978 18 2HG1 VAL 6 2HG1 VAL 6 3.766 3.608 10.505 19 3HG1 VAL 6 3HG1 VAL 6 3.271 5.302 10.472 20 1HG2 VAL 6 1HG2 VAL 6 1.449 5.120 7.961 21 2HG2 VAL 6 2HG2 VAL 6 1.120 5.954 9.479 22 3HG2 VAL 6 3HG2 VAL 6 -0.003 4.732 8.884 23 H MET 7 H MET 7 0.602 2.908 6.735 24 HA MET 7 HA MET 7 3.164 3.169 5.310 25 1HB MET 7 2HB MET 7 2.025 1.092 4.658 26 2HB MET 7 1HB MET 7 0.577 2.005 4.253 27 1HG MET 7 2HG MET 7 1.870 3.205 2.518 28 2HG MET 7 1HG MET 7 3.257 2.185 2.894 29 1HE MET 7 1HE MET 7 -0.345 2.370 1.422 30 2HE MET 7 2HE MET 7 -0.575 1.215 2.736 31 3HE MET 7 3HE MET 7 -0.697 0.682 1.056 32 H ALA 8 H ALA 8 3.403 5.280 5.069 33 HA ALA 8 HA ALA 8 1.099 6.922 4.336 34 1HB ALA 8 1HB ALA 8 2.583 8.833 4.691 35 2HB ALA 8 2HB ALA 8 3.932 7.738 4.995 36 3HB ALA 8 3HB ALA 8 2.559 7.778 6.102 37 H THR 9 H THR 9 0.689 7.331 2.285 38 HA THR 9 HA THR 9 2.569 6.413 0.285 39 HB THR 9 HB THR 9 0.719 6.904 -1.311 40 HG1 THR 9 HG1 THR 9 -1.208 7.644 -0.565 41 1HG2 THR 9 1HG2 THR 9 -0.018 5.180 1.055 42 2HG2 THR 9 2HG2 THR 9 0.961 4.683 -0.325 43 3HG2 THR 9 3HG2 THR 9 -0.741 5.086 -0.551 44 H LYS 10 H LYS 10 2.660 7.771 -1.783 45 HA LYS 10 HA LYS 10 3.986 10.197 -1.236 46 1HB LYS 10 2HB LYS 10 4.303 8.729 -3.260 47 2HB LYS 10 1HB LYS 10 2.780 9.350 -3.877 48 1HG LYS 10 2HG LYS 10 3.670 11.562 -4.023 49 2HG LYS 10 1HG LYS 10 5.157 11.068 -3.216 50 1HD LYS 10 2HD LYS 10 5.535 11.257 -5.597 51 2HD LYS 10 1HD LYS 10 5.660 9.571 -5.105 52 1HE LYS 10 2HE LYS 10 3.134 10.747 -6.246 53 2HE LYS 10 1HE LYS 10 4.397 10.067 -7.261 54 1HZ LYS 10 1HZ LYS 10 4.114 7.955 -5.995 55 2HZ LYS 10 2HZ LYS 10 2.763 8.407 -6.912 56 3HZ LYS 10 3HZ LYS 10 2.756 8.639 -5.234 57 H ASP 11 H ASP 11 0.689 9.400 -1.904 58 HA ASP 11 HA ASP 11 -0.430 11.840 -2.586 59 1HB ASP 11 2HB ASP 11 -1.701 9.756 -2.554 60 2HB ASP 11 1HB ASP 11 -1.546 9.663 -0.803 61 H GLY 12 H GLY 12 0.740 10.694 0.501 62 1HA GLY 12 2HA GLY 12 1.512 12.218 2.159 63 2HA GLY 12 1HA GLY 12 0.343 13.395 1.577 64 H ARG 13 H ARG 13 -0.841 10.215 1.883 65 HA ARG 13 HA ARG 13 -2.270 11.020 4.316 66 1HB ARG 13 2HB ARG 13 -3.952 9.345 3.694 67 2HB ARG 13 1HB ARG 13 -3.727 10.543 2.429 68 1HG ARG 13 2HG ARG 13 -2.367 8.985 1.163 69 2HG ARG 13 1HG ARG 13 -2.530 7.780 2.441 70 1HD ARG 13 2HD ARG 13 -4.752 8.937 0.764 71 2HD ARG 13 1HD ARG 13 -4.076 7.316 0.631 72 HE ARG 13 HE ARG 13 -4.943 7.532 3.236 73 1HH1 ARG 13 1HH1 ARG 13 -6.417 7.888 0.082 74 2HH1 ARG 13 2HH1 ARG 13 -7.966 7.283 0.586 75 1HH2 ARG 13 1HH2 ARG 13 -6.973 6.791 3.930 76 2HH2 ARG 13 2HH2 ARG 13 -8.297 6.679 2.804 77 H MET 14 H MET 14 -2.385 9.676 6.084 78 HA MET 14 HA MET 14 -0.295 7.620 6.188 79 1HB MET 14 2HB MET 14 -1.785 9.095 8.363 80 2HB MET 14 1HB MET 14 -0.714 7.740 8.685 81 1HG MET 14 2HG MET 14 0.503 9.725 9.099 82 2HG MET 14 1HG MET 14 1.123 9.031 7.603 83 1HE MET 14 1HE MET 14 2.333 11.292 6.996 84 2HE MET 14 2HE MET 14 1.753 12.008 8.500 85 3HE MET 14 3HE MET 14 1.535 12.864 6.972 86 H ILE 15 H ILE 15 -1.090 5.722 5.518 87 HA ILE 15 HA ILE 15 -3.759 4.897 6.387 88 HB ILE 15 HB ILE 15 -1.861 3.453 4.525 89 1HG1 ILE 15 2HG1 ILE 15 -4.228 5.217 3.851 90 2HG1 ILE 15 1HG1 ILE 15 -2.539 5.666 3.636 91 1HG2 ILE 15 1HG2 ILE 15 -3.500 1.993 5.561 92 2HG2 ILE 15 2HG2 ILE 15 -3.878 2.214 3.852 93 3HG2 ILE 15 3HG2 ILE 15 -4.802 3.081 5.081 94 1HD1 ILE 15 1HD1 ILE 15 -3.541 4.977 1.539 95 2HD1 ILE 15 2HD1 ILE 15 -3.962 3.415 2.236 96 3HD1 ILE 15 3HD1 ILE 15 -2.268 3.856 2.020 97 H LEU 16 H LEU 16 -3.878 3.883 8.289 98 HA LEU 16 HA LEU 16 -1.630 2.605 9.503 99 1HB LEU 16 2HB LEU 16 -4.565 2.559 10.227 100 2HB LEU 16 1HB LEU 16 -3.313 1.789 11.179 101 HG LEU 16 HG LEU 16 -3.780 3.812 12.271 102 1HD1 LEU 16 1HD1 LEU 16 -1.409 3.373 12.100 103 2HD1 LEU 16 2HD1 LEU 16 -1.716 5.110 12.072 104 3HD1 LEU 16 3HD1 LEU 16 -1.332 4.258 10.576 105 1HD2 LEU 16 1HD2 LEU 16 -5.029 4.876 10.442 106 2HD2 LEU 16 2HD2 LEU 16 -3.503 5.269 9.647 107 3HD2 LEU 16 3HD2 LEU 16 -3.891 5.980 11.214 108 H THR 17 H THR 17 -0.863 0.940 8.353 109 HA THR 17 HA THR 17 -2.735 -1.034 7.274 110 HB THR 17 HB THR 17 -0.664 -1.789 5.992 111 HG1 THR 17 HG1 THR 17 0.885 -0.716 7.321 112 1HG2 THR 17 1HG2 THR 17 -1.667 1.026 5.543 113 2HG2 THR 17 2HG2 THR 17 -2.441 -0.451 4.962 114 3HG2 THR 17 3HG2 THR 17 -0.856 0.018 4.346 115 H ASP 18 H ASP 18 -2.167 -3.286 7.370 116 HA ASP 18 HA ASP 18 -1.137 -4.301 9.794 117 1HB ASP 18 2HB ASP 18 -2.611 -5.420 7.934 118 2HB ASP 18 1HB ASP 18 -1.065 -5.842 7.207 119 H GLY 19 H GLY 19 0.905 -5.559 10.019 120 1HA GLY 19 2HA GLY 19 3.087 -4.034 8.823 121 2HA GLY 19 1HA GLY 19 3.240 -5.257 10.083 122 H LYS 20 H LYS 20 2.791 -4.800 6.571 123 HA LYS 20 HA LYS 20 3.781 -7.210 5.695 124 1HB LYS 20 2HB LYS 20 1.697 -7.755 7.424 125 2HB LYS 20 1HB LYS 20 0.938 -7.861 5.841 126 1HG LYS 20 2HG LYS 20 3.338 -9.408 6.797 127 2HG LYS 20 1HG LYS 20 1.716 -10.039 6.509 128 1HD LYS 20 2HD LYS 20 1.937 -9.533 4.131 129 2HD LYS 20 1HD LYS 20 3.543 -8.862 4.418 130 1HE LYS 20 2HE LYS 20 4.219 -11.101 5.315 131 2HE LYS 20 1HE LYS 20 2.664 -11.722 4.766 132 1HZ LYS 20 1HZ LYS 20 4.702 -10.456 3.024 133 2HZ LYS 20 2HZ LYS 20 3.234 -11.142 2.513 134 3HZ LYS 20 3HZ LYS 20 4.451 -12.124 3.174 135 HA PRO 21 HA PRO 21 1.391 -4.741 2.455 136 1HB PRO 21 2HB PRO 21 3.910 -3.542 1.627 137 2HB PRO 21 1HB PRO 21 2.397 -2.744 2.064 138 1HG PRO 21 2HG PRO 21 4.645 -2.610 3.582 139 2HG PRO 21 1HG PRO 21 3.011 -2.503 4.254 140 1HD PRO 21 2HD PRO 21 4.888 -4.833 4.206 141 2HD PRO 21 1HD PRO 21 3.796 -4.286 5.497 142 H GLU 22 H GLU 22 1.122 -6.386 1.084 143 HA GLU 22 HA GLU 22 3.284 -8.113 0.327 144 1HB GLU 22 2HB GLU 22 0.686 -8.582 0.627 145 2HB GLU 22 1HB GLU 22 0.652 -8.165 -1.081 146 1HG GLU 22 2HG GLU 22 0.832 -10.550 -0.817 147 2HG GLU 22 1HG GLU 22 2.316 -9.909 -1.526 148 H ILE 23 H ILE 23 4.765 -7.233 -0.961 149 HA ILE 23 HA ILE 23 3.921 -5.435 -3.103 150 HB ILE 23 HB ILE 23 6.728 -6.105 -2.202 151 1HG1 ILE 23 2HG1 ILE 23 4.972 -3.736 -1.501 152 2HG1 ILE 23 1HG1 ILE 23 5.410 -5.041 -0.407 153 1HG2 ILE 23 1HG2 ILE 23 5.671 -3.879 -3.947 154 2HG2 ILE 23 2HG2 ILE 23 6.616 -5.267 -4.486 155 3HG2 ILE 23 3HG2 ILE 23 7.345 -4.068 -3.420 156 1HD1 ILE 23 1HD1 ILE 23 7.321 -3.083 -1.655 157 2HD1 ILE 23 2HD1 ILE 23 7.750 -4.384 -0.544 158 3HD1 ILE 23 3HD1 ILE 23 6.736 -3.051 0.008 159 H ASP 24 H ASP 24 3.288 -6.502 -4.852 160 HA ASP 24 HA ASP 24 4.702 -8.850 -5.795 161 1HB ASP 24 2HB ASP 24 2.250 -8.636 -6.105 162 2HB ASP 24 1HB ASP 24 2.516 -7.229 -7.130 163 H ASP 25 H ASP 25 6.634 -8.565 -6.695 164 HA ASP 25 HA ASP 25 7.499 -5.974 -7.563 165 1HB ASP 25 2HB ASP 25 8.956 -7.645 -6.393 166 2HB ASP 25 1HB ASP 25 8.941 -8.615 -7.862 167 H ASP 26 H ASP 26 5.871 -8.472 -9.059 168 HA ASP 26 HA ASP 26 6.962 -8.143 -11.695 169 1HB ASP 26 2HB ASP 26 6.067 -10.301 -11.086 170 2HB ASP 26 1HB ASP 26 4.504 -9.591 -10.697 171 H THR 27 H THR 27 3.769 -7.467 -10.266 172 HA THR 27 HA THR 27 3.058 -5.783 -12.511 173 HB THR 27 HB THR 27 0.948 -5.400 -11.199 174 HG1 THR 27 HG1 THR 27 2.052 -7.373 -9.447 175 1HG2 THR 27 1HG2 THR 27 1.092 -7.203 -12.845 176 2HG2 THR 27 2HG2 THR 27 0.094 -7.683 -11.472 177 3HG2 THR 27 3HG2 THR 27 1.745 -8.283 -11.612 178 H GLY 28 H GLY 28 4.273 -5.405 -9.274 179 1HA GLY 28 2HA GLY 28 5.339 -3.471 -8.466 180 2HA GLY 28 1HA GLY 28 4.549 -2.533 -9.725 181 H LEU 29 H LEU 29 2.515 -4.689 -8.064 182 HA LEU 29 HA LEU 29 1.191 -2.420 -6.796 183 1HB LEU 29 2HB LEU 29 0.322 -5.138 -7.648 184 2HB LEU 29 1HB LEU 29 -0.550 -4.359 -6.343 185 HG LEU 29 HG LEU 29 -1.014 -2.436 -7.844 186 1HD1 LEU 29 1HD1 LEU 29 0.247 -4.192 -9.944 187 2HD1 LEU 29 2HD1 LEU 29 0.831 -2.623 -9.387 188 3HD1 LEU 29 3HD1 LEU 29 -0.693 -2.735 -10.264 189 1HD2 LEU 29 1HD2 LEU 29 -2.643 -4.212 -7.534 190 2HD2 LEU 29 2HD2 LEU 29 -1.921 -5.124 -8.858 191 3HD2 LEU 29 3HD2 LEU 29 -2.707 -3.578 -9.177 192 H VAL 30 H VAL 30 0.707 -2.290 -4.674 193 HA VAL 30 HA VAL 30 1.998 -4.243 -2.881 194 HB VAL 30 HB VAL 30 1.431 -1.311 -2.388 195 1HG1 VAL 30 1HG1 VAL 30 1.196 -2.602 -0.348 196 2HG1 VAL 30 2HG1 VAL 30 2.661 -1.621 -0.292 197 3HG1 VAL 30 3HG1 VAL 30 2.769 -3.352 -0.618 198 1HG2 VAL 30 1HG2 VAL 30 3.866 -1.059 -2.340 199 2HG2 VAL 30 2HG2 VAL 30 3.298 -1.635 -3.908 200 3HG2 VAL 30 3HG2 VAL 30 4.047 -2.760 -2.773 201 H SER 31 H SER 31 0.459 -5.575 -2.165 202 HA SER 31 HA SER 31 -2.243 -4.625 -1.672 203 1HB SER 31 2HB SER 31 -1.113 -7.374 -1.137 204 2HB SER 31 1HB SER 31 -2.806 -6.934 -1.341 205 HG SER 31 HG SER 31 -1.144 -7.759 -3.191 206 H TYR 32 H TYR 32 -2.751 -3.734 0.210 207 HA TYR 32 HA TYR 32 -1.197 -4.510 2.589 208 1HB TYR 32 2HB TYR 32 -1.658 -2.227 3.462 209 2HB TYR 32 1HB TYR 32 -0.689 -2.220 1.994 210 HD1 TYR 32 HD1 TYR 32 -1.833 -1.678 -0.200 211 HD2 TYR 32 HD2 TYR 32 -3.710 -1.050 3.564 212 HE1 TYR 32 HE1 TYR 32 -3.429 -0.141 -1.254 213 HE2 TYR 32 HE2 TYR 32 -5.312 0.495 2.509 214 HH TYR 32 HH TYR 32 -5.711 0.734 -0.823 215 H HIS 33 H HIS 33 -2.266 -4.980 4.438 216 HA HIS 33 HA HIS 33 -5.148 -5.357 4.209 217 1HB HIS 33 2HB HIS 33 -3.951 -7.301 4.939 218 2HB HIS 33 1HB HIS 33 -3.087 -6.392 6.167 219 HD1 HIS 33 HD1 HIS 33 -3.879 -7.011 8.410 220 HD2 HIS 33 HD2 HIS 33 -6.957 -7.067 5.608 221 HE1 HIS 33 HE1 HIS 33 -5.937 -7.693 9.676 222 HE2 HIS 33 HE2 HIS 33 -7.711 -7.979 7.913 223 H ASP 34 H ASP 34 -6.431 -3.853 4.901 224 HA ASP 34 HA ASP 34 -5.739 -1.699 6.593 225 1HB ASP 34 2HB ASP 34 -8.395 -2.856 5.746 226 2HB ASP 34 1HB ASP 34 -8.273 -1.442 6.782 227 H GLN 35 H GLN 35 -6.607 -1.222 8.718 228 HA GLN 35 HA GLN 35 -6.864 -3.411 10.546 229 1HB GLN 35 2HB GLN 35 -7.818 -0.552 10.894 230 2HB GLN 35 1HB GLN 35 -7.591 -1.734 12.175 231 1HG GLN 35 2HG GLN 35 -5.167 -1.774 11.608 232 2HG GLN 35 1HG GLN 35 -5.463 -0.447 10.484 233 1HE2 GLN 35 1HE2 GLN 35 -6.104 1.573 11.316 234 2HE2 GLN 35 2HE2 GLN 35 -5.778 2.013 12.955 235 H GLN 36 H GLN 36 -8.803 -1.909 8.270 236 HA GLN 36 HA GLN 36 -11.395 -2.475 9.323 237 1HB GLN 36 2HB GLN 36 -10.899 -0.658 7.719 238 2HB GLN 36 1HB GLN 36 -10.470 -1.855 6.513 239 1HG GLN 36 2HG GLN 36 -12.738 -2.652 6.434 240 2HG GLN 36 1HG GLN 36 -13.194 -1.564 7.746 241 1HE2 GLN 36 1HE2 GLN 36 -10.954 -0.559 5.272 242 2HE2 GLN 36 2HE2 GLN 36 -12.024 0.542 4.476 243 H GLY 37 H GLY 37 -8.956 -4.332 7.927 244 1HA GLY 37 2HA GLY 37 -8.951 -6.641 7.649 245 2HA GLY 37 1HA GLY 37 -10.702 -6.640 7.805 246 H ASN 38 H ASN 38 -8.807 -4.703 5.560 247 HA ASN 38 HA ASN 38 -9.996 -6.247 3.340 248 1HB ASN 38 2HB ASN 38 -9.440 -3.283 3.538 249 2HB ASN 38 1HB ASN 38 -9.791 -4.094 2.019 250 1HD2 ASN 38 1HD2 ASN 38 -11.193 -1.985 3.446 251 2HD2 ASN 38 2HD2 ASN 38 -12.815 -2.554 3.660 252 H ALA 39 H ALA 39 -8.692 -6.663 1.557 253 HA ALA 39 HA ALA 39 -5.865 -5.884 1.829 254 1HB ALA 39 1HB ALA 39 -7.061 -8.103 0.167 255 2HB ALA 39 2HB ALA 39 -6.237 -8.308 1.712 256 3HB ALA 39 3HB ALA 39 -5.344 -7.720 0.308 257 H MET 40 H MET 40 -5.865 -3.895 0.908 258 HA MET 40 HA MET 40 -7.004 -3.658 -1.793 259 1HB MET 40 2HB MET 40 -6.155 -1.450 0.102 260 2HB MET 40 1HB MET 40 -6.917 -1.232 -1.470 261 1HG MET 40 2HG MET 40 -8.841 -2.606 -0.532 262 2HG MET 40 1HG MET 40 -8.108 -2.340 1.046 263 1HE MET 40 1HE MET 40 -8.097 -0.099 2.316 264 2HE MET 40 2HE MET 40 -8.486 1.465 1.595 265 3HE MET 40 3HE MET 40 -7.055 0.579 1.065 266 H GLN 41 H GLN 41 -5.696 -2.341 -3.361 267 HA GLN 41 HA GLN 41 -2.830 -2.926 -2.934 268 1HB GLN 41 2HB GLN 41 -4.244 -3.089 -5.597 269 2HB GLN 41 1HB GLN 41 -2.603 -3.591 -5.225 270 1HG GLN 41 2HG GLN 41 -3.585 -5.619 -5.217 271 2HG GLN 41 1HG GLN 41 -3.894 -5.184 -3.538 272 1HE2 GLN 41 1HE2 GLN 41 -5.257 -5.574 -6.696 273 2HE2 GLN 41 2HE2 GLN 41 -6.915 -5.558 -6.214 274 H ILE 42 H ILE 42 -1.510 -1.219 -3.175 275 HA ILE 42 HA ILE 42 -2.367 0.917 -5.021 276 HB ILE 42 HB ILE 42 -0.852 2.465 -3.964 277 1HG1 ILE 42 2HG1 ILE 42 -0.166 0.470 -1.822 278 2HG1 ILE 42 1HG1 ILE 42 0.788 0.561 -3.301 279 1HG2 ILE 42 1HG2 ILE 42 -2.363 1.118 -1.748 280 2HG2 ILE 42 2HG2 ILE 42 -3.124 2.129 -2.975 281 3HG2 ILE 42 3HG2 ILE 42 -1.927 2.819 -1.877 282 1HD1 ILE 42 1HD1 ILE 42 1.374 2.828 -2.855 283 2HD1 ILE 42 2HD1 ILE 42 1.708 1.862 -1.414 284 3HD1 ILE 42 3HD1 ILE 42 0.277 2.889 -1.472 285 H ASN 43 H ASN 43 -0.192 2.047 -5.871 286 HA ASN 43 HA ASN 43 1.448 -0.119 -6.958 287 1HB ASN 43 2HB ASN 43 0.633 2.540 -7.910 288 2HB ASN 43 1HB ASN 43 2.314 2.130 -8.223 289 1HD2 ASN 43 1HD2 ASN 43 2.798 0.400 -9.583 290 2HD2 ASN 43 2HD2 ASN 43 1.613 -0.287 -10.652 291 H ARG 44 H ARG 44 3.732 -0.015 -6.922 292 HA ARG 44 HA ARG 44 4.817 0.851 -4.469 293 1HB ARG 44 2HB ARG 44 5.727 -1.030 -5.832 294 2HB ARG 44 1HB ARG 44 6.344 0.146 -6.987 295 1HG ARG 44 2HG ARG 44 7.877 1.027 -5.408 296 2HG ARG 44 1HG ARG 44 7.108 0.157 -4.081 297 1HD ARG 44 2HD ARG 44 9.131 -0.982 -4.632 298 2HD ARG 44 1HD ARG 44 7.784 -1.977 -5.175 299 HE ARG 44 HE ARG 44 8.952 -0.236 -7.180 300 1HH1 ARG 44 1HH1 ARG 44 8.891 -3.416 -5.724 301 2HH1 ARG 44 2HH1 ARG 44 9.650 -4.206 -7.079 302 1HH2 ARG 44 1HH2 ARG 44 9.955 -1.262 -8.972 303 2HH2 ARG 44 2HH2 ARG 44 10.253 -2.972 -8.923 304 H ASP 45 H ASP 45 4.431 2.396 -7.519 305 HA ASP 45 HA ASP 45 6.293 4.484 -7.326 306 1HB ASP 45 2HB ASP 45 3.613 4.269 -8.677 307 2HB ASP 45 1HB ASP 45 4.547 5.757 -8.731 308 H ASP 46 H ASP 46 3.473 3.898 -5.455 309 HA ASP 46 HA ASP 46 3.408 6.736 -4.677 310 1HB ASP 46 2HB ASP 46 1.308 5.622 -5.682 311 2HB ASP 46 1HB ASP 46 1.162 4.820 -4.121 312 H VAL 47 H VAL 47 4.602 3.861 -3.632 313 HA VAL 47 HA VAL 47 3.944 4.125 -0.833 314 HB VAL 47 HB VAL 47 6.280 2.548 -1.919 315 1HG1 VAL 47 1HG1 VAL 47 4.522 2.126 0.495 316 2HG1 VAL 47 2HG1 VAL 47 6.114 2.886 0.524 317 3HG1 VAL 47 3HG1 VAL 47 5.953 1.192 0.058 318 1HG2 VAL 47 1HG2 VAL 47 3.470 1.519 -1.597 319 2HG2 VAL 47 2HG2 VAL 47 4.867 0.641 -2.214 320 3HG2 VAL 47 3HG2 VAL 47 4.179 1.977 -3.142 321 H SER 48 H SER 48 4.654 5.920 0.167 322 HA SER 48 HA SER 48 7.174 7.100 -0.686 323 1HB SER 48 2HB SER 48 5.240 8.565 -0.560 324 2HB SER 48 1HB SER 48 4.995 8.153 1.134 325 HG SER 48 HG SER 48 6.312 9.728 1.558 326 H GLN 49 H GLN 49 5.621 6.532 2.491 327 HA GLN 49 HA GLN 49 8.222 5.689 3.520 328 1HB GLN 49 2HB GLN 49 7.779 7.117 5.584 329 2HB GLN 49 1HB GLN 49 8.293 7.958 4.129 330 1HG GLN 49 2HG GLN 49 5.931 8.520 3.669 331 2HG GLN 49 1HG GLN 49 5.488 7.774 5.203 332 1HE2 GLN 49 1HE2 GLN 49 5.966 8.823 7.117 333 2HE2 GLN 49 2HE2 GLN 49 6.501 10.469 7.165 334 H ILE 50 H ILE 50 8.089 3.953 4.715 335 HA ILE 50 HA ILE 50 5.466 3.217 5.840 336 HB ILE 50 HB ILE 50 5.976 1.798 3.939 337 1HG1 ILE 50 2HG1 ILE 50 6.366 0.340 6.559 338 2HG1 ILE 50 1HG1 ILE 50 4.821 0.770 5.833 339 1HG2 ILE 50 1HG2 ILE 50 8.387 2.046 3.898 340 2HG2 ILE 50 2HG2 ILE 50 7.934 0.342 3.895 341 3HG2 ILE 50 3HG2 ILE 50 8.526 1.093 5.376 342 1HD1 ILE 50 1HD1 ILE 50 5.370 -0.674 3.909 343 2HD1 ILE 50 2HD1 ILE 50 5.269 -1.548 5.437 344 3HD1 ILE 50 3HD1 ILE 50 6.845 -1.167 4.743 345 H ILE 51 H ILE 51 8.873 3.540 6.294 346 HA ILE 51 HA ILE 51 10.145 3.676 8.159 347 HB ILE 51 HB ILE 51 7.474 3.466 9.523 348 1HG1 ILE 51 2HG1 ILE 51 8.199 5.752 10.360 349 2HG1 ILE 51 1HG1 ILE 51 9.550 5.643 9.242 350 1HG2 ILE 51 1HG2 ILE 51 10.151 3.648 10.902 351 2HG2 ILE 51 2HG2 ILE 51 9.031 2.288 10.970 352 3HG2 ILE 51 3HG2 ILE 51 8.579 3.839 11.682 353 1HD1 ILE 51 1HD1 ILE 51 7.726 6.972 8.335 354 2HD1 ILE 51 2HD1 ILE 51 6.639 5.591 8.482 355 3HD1 ILE 51 3HD1 ILE 51 8.006 5.523 7.369 356 H GLU 52 H GLU 52 11.551 2.122 8.460 357 HA GLU 52 HA GLU 52 10.789 -0.637 8.747 358 1HB GLU 52 2HB GLU 52 12.863 0.018 7.575 359 2HB GLU 52 1HB GLU 52 13.486 0.703 9.068 360 1HG GLU 52 2HG GLU 52 14.487 -1.446 8.685 361 2HG GLU 52 1HG GLU 52 13.428 -1.536 10.091 362 H ARG 53 H ARG 53 10.540 -1.742 10.609 363 HA ARG 53 HA ARG 53 10.099 -0.286 12.981 364 1HB ARG 53 2HB ARG 53 10.013 -2.789 13.917 365 2HB ARG 53 1HB ARG 53 8.708 -2.073 12.984 366 1HG ARG 53 2HG ARG 53 8.979 -4.157 12.014 367 2HG ARG 53 1HG ARG 53 9.887 -3.094 10.940 368 1HD ARG 53 2HD ARG 53 11.794 -3.822 12.750 369 2HD ARG 53 1HD ARG 53 10.811 -5.284 12.655 370 HE ARG 53 HE ARG 53 11.606 -4.092 10.120 371 1HH1 ARG 53 1HH1 ARG 53 12.176 -6.574 12.533 372 2HH1 ARG 53 2HH1 ARG 53 13.193 -7.518 11.492 373 1HH2 ARG 53 1HH2 ARG 53 12.950 -5.315 8.770 374 2HH2 ARG 53 2HH2 ARG 53 13.669 -6.785 9.357 Start of MODEL 3 1 H ASP 4 H ASP 4 5.762 4.570 14.317 2 HA ASP 4 HA ASP 4 8.257 3.616 13.127 3 1HB ASP 4 2HB ASP 4 7.898 3.708 15.638 4 2HB ASP 4 1HB ASP 4 6.724 2.410 15.449 5 H TYR 5 H TYR 5 5.011 3.315 12.675 6 HA TYR 5 HA TYR 5 5.324 0.896 11.076 7 1HB TYR 5 2HB TYR 5 3.105 1.305 13.100 8 2HB TYR 5 1HB TYR 5 3.136 0.025 11.894 9 HD1 TYR 5 HD1 TYR 5 5.224 -1.546 11.959 10 HD2 TYR 5 HD2 TYR 5 3.975 0.899 15.210 11 HE1 TYR 5 HE1 TYR 5 6.467 -2.989 13.515 12 HE2 TYR 5 HE2 TYR 5 5.217 -0.533 16.773 13 HH TYR 5 HH TYR 5 7.531 -2.763 15.782 14 H VAL 6 H VAL 6 2.566 0.727 10.451 15 HA VAL 6 HA VAL 6 1.008 1.417 9.006 16 HB VAL 6 HB VAL 6 0.014 3.492 9.174 17 1HG1 VAL 6 1HG1 VAL 6 -0.024 4.061 11.545 18 2HG1 VAL 6 2HG1 VAL 6 1.436 3.106 11.793 19 3HG1 VAL 6 3HG1 VAL 6 -0.056 2.318 11.281 20 1HG2 VAL 6 1HG2 VAL 6 2.602 4.722 10.117 21 2HG2 VAL 6 2HG2 VAL 6 1.061 5.561 9.933 22 3HG2 VAL 6 3HG2 VAL 6 1.885 4.910 8.516 23 H MET 7 H MET 7 0.622 3.169 7.101 24 HA MET 7 HA MET 7 3.157 3.330 5.629 25 1HB MET 7 2HB MET 7 1.979 1.289 4.933 26 2HB MET 7 1HB MET 7 0.562 2.247 4.525 27 1HG MET 7 2HG MET 7 1.858 3.424 2.816 28 2HG MET 7 1HG MET 7 3.266 2.440 3.216 29 1HE MET 7 1HE MET 7 -0.516 1.276 3.059 30 2HE MET 7 2HE MET 7 -0.625 0.771 1.376 31 3HE MET 7 3HE MET 7 -0.365 2.470 1.770 32 H ALA 8 H ALA 8 3.449 5.426 5.344 33 HA ALA 8 HA ALA 8 1.242 7.182 4.629 34 1HB ALA 8 1HB ALA 8 2.922 8.952 4.626 35 2HB ALA 8 2HB ALA 8 4.204 7.753 4.813 36 3HB ALA 8 3HB ALA 8 3.030 8.000 6.108 37 H THR 9 H THR 9 0.915 8.034 2.576 38 HA THR 9 HA THR 9 2.431 6.656 0.465 39 HB THR 9 HB THR 9 0.336 7.020 -0.921 40 HG1 THR 9 HG1 THR 9 -0.939 7.242 1.604 41 1HG2 THR 9 1HG2 THR 9 0.987 4.827 -0.003 42 2HG2 THR 9 2HG2 THR 9 -0.763 5.032 -0.028 43 3HG2 THR 9 3HG2 THR 9 0.122 5.204 1.488 44 H LYS 10 H LYS 10 2.435 7.717 -1.634 45 HA LYS 10 HA LYS 10 3.671 10.202 -1.607 46 1HB LYS 10 2HB LYS 10 3.878 8.534 -3.409 47 2HB LYS 10 1HB LYS 10 2.215 8.836 -3.880 48 1HG LYS 10 2HG LYS 10 2.758 11.065 -4.589 49 2HG LYS 10 1HG LYS 10 4.398 10.906 -3.953 50 1HD LYS 10 2HD LYS 10 4.358 10.592 -6.382 51 2HD LYS 10 1HD LYS 10 4.848 9.112 -5.552 52 1HE LYS 10 2HE LYS 10 2.524 8.291 -5.721 53 2HE LYS 10 1HE LYS 10 2.106 9.736 -6.636 54 1HZ LYS 10 1HZ LYS 10 4.191 7.806 -7.498 55 2HZ LYS 10 2HZ LYS 10 3.498 9.061 -8.409 56 3HZ LYS 10 3HZ LYS 10 2.569 7.710 -7.977 57 H ASP 11 H ASP 11 0.309 9.354 -2.229 58 HA ASP 11 HA ASP 11 -0.680 11.783 -3.123 59 1HB ASP 11 2HB ASP 11 -1.981 9.708 -3.127 60 2HB ASP 11 1HB ASP 11 -2.045 9.731 -1.369 61 H GLY 12 H GLY 12 0.141 10.777 0.117 62 1HA GLY 12 2HA GLY 12 0.665 12.364 1.819 63 2HA GLY 12 1HA GLY 12 -0.435 13.498 1.049 64 H ARG 13 H ARG 13 -0.679 10.172 2.259 65 HA ARG 13 HA ARG 13 -2.647 10.996 4.214 66 1HB ARG 13 2HB ARG 13 -4.344 9.382 3.445 67 2HB ARG 13 1HB ARG 13 -4.038 10.622 2.236 68 1HG ARG 13 2HG ARG 13 -2.288 8.723 1.449 69 2HG ARG 13 1HG ARG 13 -3.567 7.723 2.136 70 1HD ARG 13 2HD ARG 13 -3.954 9.864 0.054 71 2HD ARG 13 1HD ARG 13 -3.849 8.139 -0.276 72 HE ARG 13 HE ARG 13 -5.886 8.087 1.343 73 1HH1 ARG 13 1HH1 ARG 13 -5.173 10.600 -1.008 74 2HH1 ARG 13 2HH1 ARG 13 -6.850 10.900 -1.380 75 1HH2 ARG 13 1HH2 ARG 13 -8.091 8.513 0.875 76 2HH2 ARG 13 2HH2 ARG 13 -8.498 9.751 -0.278 77 H MET 14 H MET 14 -2.565 9.744 5.992 78 HA MET 14 HA MET 14 -0.520 7.664 6.013 79 1HB MET 14 2HB MET 14 -0.389 9.391 7.739 80 2HB MET 14 1HB MET 14 -2.014 8.997 8.284 81 1HG MET 14 2HG MET 14 -1.216 6.728 8.860 82 2HG MET 14 1HG MET 14 0.417 7.233 8.432 83 1HE MET 14 1HE MET 14 1.764 9.146 9.746 84 2HE MET 14 2HE MET 14 1.091 10.039 11.110 85 3HE MET 14 3HE MET 14 0.420 10.260 9.495 86 H ILE 15 H ILE 15 -1.171 5.671 5.575 87 HA ILE 15 HA ILE 15 -3.923 4.913 6.185 88 HB ILE 15 HB ILE 15 -1.827 3.413 4.608 89 1HG1 ILE 15 2HG1 ILE 15 -4.192 5.053 3.661 90 2HG1 ILE 15 1HG1 ILE 15 -2.507 5.547 3.553 91 1HG2 ILE 15 1HG2 ILE 15 -3.705 2.041 3.847 92 2HG2 ILE 15 2HG2 ILE 15 -4.794 2.941 4.902 93 3HG2 ILE 15 3HG2 ILE 15 -3.511 1.949 5.598 94 1HD1 ILE 15 1HD1 ILE 15 -2.056 3.693 2.039 95 2HD1 ILE 15 2HD1 ILE 15 -3.339 4.734 1.421 96 3HD1 ILE 15 3HD1 ILE 15 -3.740 3.181 2.157 97 H LEU 16 H LEU 16 -4.366 3.889 7.989 98 HA LEU 16 HA LEU 16 -2.342 2.753 9.664 99 1HB LEU 16 2HB LEU 16 -4.712 3.830 10.212 100 2HB LEU 16 1HB LEU 16 -5.249 2.172 10.045 101 HG LEU 16 HG LEU 16 -4.867 2.708 12.381 102 1HD1 LEU 16 1HD1 LEU 16 -3.328 0.920 12.993 103 2HD1 LEU 16 2HD1 LEU 16 -2.741 0.850 11.330 104 3HD1 LEU 16 3HD1 LEU 16 -4.414 0.422 11.696 105 1HD2 LEU 16 1HD2 LEU 16 -3.236 4.489 12.067 106 2HD2 LEU 16 2HD2 LEU 16 -2.027 3.304 11.571 107 3HD2 LEU 16 3HD2 LEU 16 -2.657 3.286 13.219 108 H THR 17 H THR 17 -1.383 0.943 8.989 109 HA THR 17 HA THR 17 -2.912 -1.010 7.454 110 HB THR 17 HB THR 17 -0.567 -2.000 7.078 111 HG1 THR 17 HG1 THR 17 1.039 -0.174 7.379 112 1HG2 THR 17 1HG2 THR 17 -1.784 -0.650 5.396 113 2HG2 THR 17 2HG2 THR 17 -0.046 -0.375 5.333 114 3HG2 THR 17 3HG2 THR 17 -1.098 0.816 6.094 115 H ASP 18 H ASP 18 -3.252 -3.079 8.090 116 HA ASP 18 HA ASP 18 -2.834 -4.017 10.719 117 1HB ASP 18 2HB ASP 18 -4.461 -5.184 9.475 118 2HB ASP 18 1HB ASP 18 -3.412 -5.336 8.073 119 H GLY 19 H GLY 19 -1.095 -4.465 7.707 120 1HA GLY 19 2HA GLY 19 1.392 -3.888 8.268 121 2HA GLY 19 1HA GLY 19 1.277 -5.429 9.122 122 H LYS 20 H LYS 20 3.134 -5.517 7.159 123 HA LYS 20 HA LYS 20 3.628 -7.172 5.677 124 1HB LYS 20 2HB LYS 20 0.746 -7.955 6.055 125 2HB LYS 20 1HB LYS 20 1.885 -8.856 5.065 126 1HG LYS 20 2HG LYS 20 3.319 -9.127 7.094 127 2HG LYS 20 1HG LYS 20 2.018 -8.394 8.038 128 1HD LYS 20 2HD LYS 20 0.503 -10.172 7.341 129 2HD LYS 20 1HD LYS 20 1.783 -10.895 6.367 130 1HE LYS 20 2HE LYS 20 3.119 -11.196 8.435 131 2HE LYS 20 1HE LYS 20 1.757 -10.576 9.366 132 1HZ LYS 20 1HZ LYS 20 1.711 -12.961 9.394 133 2HZ LYS 20 2HZ LYS 20 1.787 -13.036 7.699 134 3HZ LYS 20 3HZ LYS 20 0.407 -12.410 8.459 135 HA PRO 21 HA PRO 21 2.010 -4.777 2.147 136 1HB PRO 21 2HB PRO 21 4.368 -3.812 1.282 137 2HB PRO 21 1HB PRO 21 3.446 -3.018 2.563 138 1HG PRO 21 2HG PRO 21 5.866 -4.738 2.756 139 2HG PRO 21 1HG PRO 21 5.401 -3.335 3.730 140 1HD PRO 21 2HD PRO 21 5.101 -6.001 4.480 141 2HD PRO 21 1HD PRO 21 4.261 -4.620 5.213 142 H GLU 22 H GLU 22 1.505 -6.747 1.167 143 HA GLU 22 HA GLU 22 3.588 -8.453 0.142 144 1HB GLU 22 2HB GLU 22 0.613 -8.541 -0.406 145 2HB GLU 22 1HB GLU 22 1.773 -9.832 -0.698 146 1HG GLU 22 2HG GLU 22 2.161 -10.073 1.675 147 2HG GLU 22 1HG GLU 22 1.096 -8.710 2.012 148 H ILE 23 H ILE 23 4.744 -7.176 -1.242 149 HA ILE 23 HA ILE 23 3.434 -5.648 -3.300 150 HB ILE 23 HB ILE 23 6.386 -6.185 -2.938 151 1HG1 ILE 23 2HG1 ILE 23 4.641 -3.932 -1.915 152 2HG1 ILE 23 1HG1 ILE 23 5.494 -5.120 -0.949 153 1HG2 ILE 23 1HG2 ILE 23 6.661 -4.143 -4.294 154 2HG2 ILE 23 2HG2 ILE 23 4.914 -4.083 -4.526 155 3HG2 ILE 23 3HG2 ILE 23 5.843 -5.431 -5.179 156 1HD1 ILE 23 1HD1 ILE 23 6.623 -2.973 -0.918 157 2HD1 ILE 23 2HD1 ILE 23 6.783 -3.024 -2.674 158 3HD1 ILE 23 3HD1 ILE 23 7.628 -4.208 -1.677 159 H ASP 24 H ASP 24 2.485 -6.843 -4.823 160 HA ASP 24 HA ASP 24 3.672 -9.199 -5.943 161 1HB ASP 24 2HB ASP 24 1.349 -7.503 -6.899 162 2HB ASP 24 1HB ASP 24 1.812 -9.053 -7.592 163 H ASP 25 H ASP 25 5.584 -8.854 -6.892 164 HA ASP 25 HA ASP 25 6.172 -6.360 -8.183 165 1HB ASP 25 2HB ASP 25 7.815 -7.585 -6.787 166 2HB ASP 25 1HB ASP 25 7.859 -8.860 -7.999 167 H ASP 26 H ASP 26 4.485 -8.928 -9.285 168 HA ASP 26 HA ASP 26 5.536 -9.188 -11.918 169 1HB ASP 26 2HB ASP 26 3.565 -10.373 -12.461 170 2HB ASP 26 1HB ASP 26 3.834 -10.738 -10.761 171 H THR 27 H THR 27 3.379 -7.001 -10.313 172 HA THR 27 HA THR 27 3.199 -5.397 -12.771 173 HB THR 27 HB THR 27 0.992 -6.118 -12.200 174 HG1 THR 27 HG1 THR 27 1.698 -3.522 -12.078 175 1HG2 THR 27 1HG2 THR 27 1.338 -6.783 -9.895 176 2HG2 THR 27 2HG2 THR 27 -0.024 -5.667 -10.001 177 3HG2 THR 27 3HG2 THR 27 1.539 -5.097 -9.417 178 H GLY 28 H GLY 28 4.006 -5.480 -9.394 179 1HA GLY 28 2HA GLY 28 5.547 -3.994 -8.399 180 2HA GLY 28 1HA GLY 28 5.180 -2.811 -9.650 181 H LEU 29 H LEU 29 2.662 -4.509 -7.947 182 HA LEU 29 HA LEU 29 1.891 -1.963 -6.703 183 1HB LEU 29 2HB LEU 29 0.164 -4.371 -7.284 184 2HB LEU 29 1HB LEU 29 -0.384 -2.847 -6.615 185 HG LEU 29 HG LEU 29 0.645 -3.338 -9.408 186 1HD1 LEU 29 1HD1 LEU 29 -2.045 -2.474 -8.351 187 2HD1 LEU 29 2HD1 LEU 29 -1.647 -4.047 -9.044 188 3HD1 LEU 29 3HD1 LEU 29 -1.605 -2.603 -10.055 189 1HD2 LEU 29 1HD2 LEU 29 1.465 -1.182 -8.586 190 2HD2 LEU 29 2HD2 LEU 29 -0.180 -0.722 -8.146 191 3HD2 LEU 29 3HD2 LEU 29 0.242 -0.978 -9.839 192 H VAL 30 H VAL 30 1.130 -1.955 -4.564 193 HA VAL 30 HA VAL 30 2.354 -4.075 -2.935 194 HB VAL 30 HB VAL 30 1.545 -1.280 -2.112 195 1HG1 VAL 30 1HG1 VAL 30 3.153 -3.377 -0.656 196 2HG1 VAL 30 2HG1 VAL 30 1.517 -2.859 -0.254 197 3HG1 VAL 30 3HG1 VAL 30 2.863 -1.731 -0.092 198 1HG2 VAL 30 1HG2 VAL 30 4.260 -2.404 -2.788 199 2HG2 VAL 30 2HG2 VAL 30 3.970 -0.818 -2.078 200 3HG2 VAL 30 3HG2 VAL 30 3.370 -1.181 -3.696 201 H SER 31 H SER 31 0.839 -5.580 -2.534 202 HA SER 31 HA SER 31 -1.887 -4.842 -1.920 203 1HB SER 31 2HB SER 31 -0.536 -7.551 -1.780 204 2HB SER 31 1HB SER 31 -2.272 -7.246 -1.734 205 HG SER 31 HG SER 31 -0.721 -7.586 -3.874 206 H TYR 32 H TYR 32 -1.952 -3.736 -0.046 207 HA TYR 32 HA TYR 32 -0.568 -4.839 2.300 208 1HB TYR 32 2HB TYR 32 -0.734 -2.655 3.287 209 2HB TYR 32 1HB TYR 32 -0.152 -2.439 1.641 210 HD1 TYR 32 HD1 TYR 32 -1.949 -1.864 -0.152 211 HD2 TYR 32 HD2 TYR 32 -2.578 -1.458 4.033 212 HE1 TYR 32 HE1 TYR 32 -3.805 -0.306 -0.584 213 HE2 TYR 32 HE2 TYR 32 -4.423 0.107 3.610 214 HH TYR 32 HH TYR 32 -5.354 1.453 2.016 215 H HIS 33 H HIS 33 -1.884 -4.260 4.419 216 HA HIS 33 HA HIS 33 -4.675 -5.094 3.952 217 1HB HIS 33 2HB HIS 33 -3.102 -5.726 6.455 218 2HB HIS 33 1HB HIS 33 -4.636 -6.411 5.944 219 HD1 HIS 33 HD1 HIS 33 -1.779 -7.841 6.620 220 HD2 HIS 33 HD2 HIS 33 -3.621 -7.396 2.919 221 HE1 HIS 33 HE1 HIS 33 -0.802 -9.637 5.155 222 HE2 HIS 33 HE2 HIS 33 -1.781 -9.227 2.868 223 H ASP 34 H ASP 34 -6.180 -3.760 4.726 224 HA ASP 34 HA ASP 34 -5.520 -1.316 6.037 225 1HB ASP 34 2HB ASP 34 -8.213 -2.683 5.834 226 2HB ASP 34 1HB ASP 34 -7.946 -1.010 6.289 227 H GLN 35 H GLN 35 -6.216 -0.652 8.180 228 HA GLN 35 HA GLN 35 -6.291 -2.594 10.254 229 1HB GLN 35 2HB GLN 35 -7.041 -0.773 11.686 230 2HB GLN 35 1HB GLN 35 -5.763 -0.187 10.630 231 1HG GLN 35 2HG GLN 35 -7.428 0.834 9.170 232 2HG GLN 35 1HG GLN 35 -8.715 0.244 10.217 233 1HE2 GLN 35 1HE2 GLN 35 -8.098 2.958 9.475 234 2HE2 GLN 35 2HE2 GLN 35 -7.759 3.815 10.940 235 H GLN 36 H GLN 36 -8.487 -1.434 7.957 236 HA GLN 36 HA GLN 36 -10.946 -2.116 9.201 237 1HB GLN 36 2HB GLN 36 -10.702 -0.463 7.371 238 2HB GLN 36 1HB GLN 36 -10.255 -1.761 6.277 239 1HG GLN 36 2HG GLN 36 -12.440 -2.720 6.426 240 2HG GLN 36 1HG GLN 36 -12.901 -1.580 7.693 241 1HE2 GLN 36 1HE2 GLN 36 -10.972 -0.629 4.947 242 2HE2 GLN 36 2HE2 GLN 36 -12.180 0.351 4.191 243 H GLY 37 H GLY 37 -8.547 -3.833 7.335 244 1HA GLY 37 2HA GLY 37 -8.310 -6.181 7.739 245 2HA GLY 37 1HA GLY 37 -10.054 -6.286 7.908 246 H ASN 38 H ASN 38 -8.880 -4.434 5.226 247 HA ASN 38 HA ASN 38 -9.520 -6.707 3.451 248 1HB ASN 38 2HB ASN 38 -9.326 -3.870 2.468 249 2HB ASN 38 1HB ASN 38 -10.197 -5.226 1.767 250 1HD2 ASN 38 1HD2 ASN 38 -10.281 -2.586 3.908 251 2HD2 ASN 38 2HD2 ASN 38 -11.945 -2.745 4.388 252 H ALA 39 H ALA 39 -8.217 -6.961 1.520 253 HA ALA 39 HA ALA 39 -5.483 -5.917 1.842 254 1HB ALA 39 1HB ALA 39 -5.665 -8.362 1.813 255 2HB ALA 39 2HB ALA 39 -4.763 -7.762 0.420 256 3HB ALA 39 3HB ALA 39 -6.438 -8.283 0.230 257 H MET 40 H MET 40 -5.294 -4.076 0.730 258 HA MET 40 HA MET 40 -6.497 -3.970 -1.957 259 1HB MET 40 2HB MET 40 -5.927 -1.687 -0.052 260 2HB MET 40 1HB MET 40 -6.484 -1.486 -1.710 261 1HG MET 40 2HG MET 40 -8.421 -3.000 -1.010 262 2HG MET 40 1HG MET 40 -7.935 -2.638 0.637 263 1HE MET 40 1HE MET 40 -7.104 0.293 0.752 264 2HE MET 40 2HE MET 40 -8.322 -0.383 1.834 265 3HE MET 40 3HE MET 40 -8.632 1.137 0.995 266 H GLN 41 H GLN 41 -5.289 -2.630 -3.546 267 HA GLN 41 HA GLN 41 -2.404 -3.098 -3.134 268 1HB GLN 41 2HB GLN 41 -3.881 -3.150 -5.767 269 2HB GLN 41 1HB GLN 41 -2.200 -3.582 -5.489 270 1HG GLN 41 2HG GLN 41 -2.969 -5.462 -4.074 271 2HG GLN 41 1HG GLN 41 -4.630 -5.063 -4.513 272 1HE2 GLN 41 1HE2 GLN 41 -1.638 -6.425 -5.556 273 2HE2 GLN 41 2HE2 GLN 41 -2.205 -7.067 -7.063 274 H ILE 42 H ILE 42 -1.315 -1.244 -2.935 275 HA ILE 42 HA ILE 42 -2.187 1.048 -4.563 276 HB ILE 42 HB ILE 42 -0.910 2.508 -3.191 277 1HG1 ILE 42 2HG1 ILE 42 0.057 0.330 -1.381 278 2HG1 ILE 42 1HG1 ILE 42 0.939 0.651 -2.871 279 1HG2 ILE 42 1HG2 ILE 42 -1.894 2.164 -0.963 280 2HG2 ILE 42 2HG2 ILE 42 -2.353 0.529 -1.438 281 3HG2 ILE 42 3HG2 ILE 42 -3.060 1.919 -2.265 282 1HD1 ILE 42 1HD1 ILE 42 0.318 2.707 -0.772 283 2HD1 ILE 42 2HD1 ILE 42 1.313 2.923 -2.215 284 3HD1 ILE 42 3HD1 ILE 42 1.845 1.839 -0.926 285 H ASN 43 H ASN 43 -0.041 2.435 -5.090 286 HA ASN 43 HA ASN 43 1.515 0.673 -6.802 287 1HB ASN 43 2HB ASN 43 0.552 2.778 -7.676 288 2HB ASN 43 1HB ASN 43 1.533 3.685 -6.538 289 1HD2 ASN 43 1HD2 ASN 43 2.547 4.801 -8.157 290 2HD2 ASN 43 2HD2 ASN 43 3.746 4.078 -9.182 291 H ARG 44 H ARG 44 3.759 0.387 -6.637 292 HA ARG 44 HA ARG 44 4.825 0.592 -4.009 293 1HB ARG 44 2HB ARG 44 5.440 -1.186 -5.653 294 2HB ARG 44 1HB ARG 44 6.351 0.023 -6.552 295 1HG ARG 44 2HG ARG 44 7.829 0.366 -4.677 296 2HG ARG 44 1HG ARG 44 6.874 -0.737 -3.686 297 1HD ARG 44 2HD ARG 44 8.819 -1.899 -4.471 298 2HD ARG 44 1HD ARG 44 7.402 -2.550 -5.293 299 HE ARG 44 HE ARG 44 8.860 -0.457 -6.691 300 1HH1 ARG 44 1HH1 ARG 44 8.305 -3.888 -6.269 301 2HH1 ARG 44 2HH1 ARG 44 8.980 -4.329 -7.807 302 1HH2 ARG 44 1HH2 ARG 44 9.758 -1.014 -8.703 303 2HH2 ARG 44 2HH2 ARG 44 9.853 -2.688 -9.183 304 H ASP 45 H ASP 45 5.146 2.528 -6.913 305 HA ASP 45 HA ASP 45 7.221 4.222 -5.934 306 1HB ASP 45 2HB ASP 45 6.843 4.141 -8.303 307 2HB ASP 45 1HB ASP 45 5.151 4.582 -8.108 308 H ASP 46 H ASP 46 3.882 3.948 -5.330 309 HA ASP 46 HA ASP 46 3.559 6.667 -4.373 310 1HB ASP 46 2HB ASP 46 1.718 4.315 -4.666 311 2HB ASP 46 1HB ASP 46 1.260 5.677 -3.651 312 H VAL 47 H VAL 47 4.917 3.921 -3.129 313 HA VAL 47 HA VAL 47 3.956 4.194 -0.420 314 HB VAL 47 HB VAL 47 6.445 2.708 -1.278 315 1HG1 VAL 47 1HG1 VAL 47 6.095 3.103 1.139 316 2HG1 VAL 47 2HG1 VAL 47 6.068 1.392 0.702 317 3HG1 VAL 47 3HG1 VAL 47 4.556 2.245 1.023 318 1HG2 VAL 47 1HG2 VAL 47 4.588 1.923 -2.651 319 2HG2 VAL 47 2HG2 VAL 47 3.617 1.669 -1.202 320 3HG2 VAL 47 3HG2 VAL 47 5.063 0.698 -1.475 321 H SER 48 H SER 48 4.459 6.046 0.573 322 HA SER 48 HA SER 48 7.006 7.337 -0.000 323 1HB SER 48 2HB SER 48 4.988 8.704 -0.120 324 2HB SER 48 1HB SER 48 4.584 8.297 1.544 325 HG SER 48 HG SER 48 7.103 9.298 1.352 326 H GLN 49 H GLN 49 5.281 5.803 2.647 327 HA GLN 49 HA GLN 49 7.789 5.523 4.058 328 1HB GLN 49 2HB GLN 49 7.050 7.635 4.974 329 2HB GLN 49 1HB GLN 49 5.442 6.995 5.274 330 1HG GLN 49 2HG GLN 49 7.644 5.543 6.575 331 2HG GLN 49 1HG GLN 49 7.375 7.191 7.140 332 1HE2 GLN 49 1HE2 GLN 49 6.799 6.188 9.157 333 2HE2 GLN 49 2HE2 GLN 49 5.218 5.527 9.382 334 H ILE 50 H ILE 50 7.803 3.835 5.525 335 HA ILE 50 HA ILE 50 5.522 2.541 6.508 336 HB ILE 50 HB ILE 50 5.272 1.733 4.193 337 1HG1 ILE 50 2HG1 ILE 50 6.178 -0.478 6.047 338 2HG1 ILE 50 1HG1 ILE 50 4.614 0.320 6.141 339 1HG2 ILE 50 1HG2 ILE 50 6.908 0.233 3.190 340 2HG2 ILE 50 2HG2 ILE 50 7.972 0.447 4.580 341 3HG2 ILE 50 3HG2 ILE 50 7.621 1.812 3.521 342 1HD1 ILE 50 1HD1 ILE 50 4.070 -0.483 3.906 343 2HD1 ILE 50 2HD1 ILE 50 4.443 -1.808 5.009 344 3HD1 ILE 50 3HD1 ILE 50 5.636 -1.288 3.818 345 H ILE 51 H ILE 51 8.898 2.436 5.637 346 HA ILE 51 HA ILE 51 10.776 1.964 6.784 347 HB ILE 51 HB ILE 51 8.974 1.860 9.210 348 1HG1 ILE 51 2HG1 ILE 51 10.707 4.081 8.085 349 2HG1 ILE 51 1HG1 ILE 51 8.945 4.035 8.063 350 1HG2 ILE 51 1HG2 ILE 51 11.062 2.223 10.482 351 2HG2 ILE 51 2HG2 ILE 51 11.980 2.025 8.988 352 3HG2 ILE 51 3HG2 ILE 51 11.044 0.678 9.632 353 1HD1 ILE 51 1HD1 ILE 51 10.680 4.162 10.520 354 2HD1 ILE 51 2HD1 ILE 51 8.916 4.124 10.499 355 3HD1 ILE 51 3HD1 ILE 51 9.776 5.501 9.811 356 H GLU 52 H GLU 52 11.418 0.087 5.961 357 HA GLU 52 HA GLU 52 10.293 -2.384 7.053 358 1HB GLU 52 2HB GLU 52 10.426 -2.116 4.563 359 2HB GLU 52 1HB GLU 52 12.180 -2.085 4.713 360 1HG GLU 52 2HG GLU 52 11.951 -4.339 5.876 361 2HG GLU 52 1HG GLU 52 10.299 -4.351 5.262 362 H ARG 53 H ARG 53 11.382 -2.017 9.072 363 HA ARG 53 HA ARG 53 13.963 -3.324 9.062 364 1HB ARG 53 2HB ARG 53 14.136 -0.668 8.999 365 2HB ARG 53 1HB ARG 53 13.819 -0.840 10.719 366 1HG ARG 53 2HG ARG 53 16.035 -2.296 9.299 367 2HG ARG 53 1HG ARG 53 16.236 -0.712 10.050 368 1HD ARG 53 2HD ARG 53 15.268 -3.165 11.512 369 2HD ARG 53 1HD ARG 53 16.953 -2.647 11.464 370 HE ARG 53 HE ARG 53 15.382 -0.485 12.318 371 1HH1 ARG 53 1HH1 ARG 53 16.342 -3.667 13.429 372 2HH1 ARG 53 2HH1 ARG 53 16.365 -3.211 15.113 373 1HH2 ARG 53 1HH2 ARG 53 15.336 0.102 14.516 374 2HH2 ARG 53 2HH2 ARG 53 15.796 -1.055 15.729 Start of MODEL 4 1 H ASP 4 H ASP 4 2.028 1.571 15.917 2 HA ASP 4 HA ASP 4 3.512 3.574 14.364 3 1HB ASP 4 2HB ASP 4 4.479 0.948 15.512 4 2HB ASP 4 1HB ASP 4 5.476 2.168 14.725 5 H TYR 5 H TYR 5 1.218 1.714 13.573 6 HA TYR 5 HA TYR 5 2.526 0.427 11.280 7 1HB TYR 5 2HB TYR 5 -0.321 0.025 12.216 8 2HB TYR 5 1HB TYR 5 0.580 -0.965 11.073 9 HD1 TYR 5 HD1 TYR 5 2.821 -1.996 12.063 10 HD2 TYR 5 HD2 TYR 5 -0.512 -0.732 14.384 11 HE1 TYR 5 HE1 TYR 5 3.565 -3.442 13.907 12 HE2 TYR 5 HE2 TYR 5 0.221 -2.172 16.237 13 HH TYR 5 HH TYR 5 1.626 -4.252 16.521 14 H VAL 6 H VAL 6 2.721 2.055 9.789 15 HA VAL 6 HA VAL 6 0.314 3.395 8.888 16 HB VAL 6 HB VAL 6 1.522 5.657 9.014 17 1HG1 VAL 6 1HG1 VAL 6 0.735 6.074 11.313 18 2HG1 VAL 6 2HG1 VAL 6 0.531 4.335 11.533 19 3HG1 VAL 6 3HG1 VAL 6 -0.440 5.194 10.336 20 1HG2 VAL 6 1HG2 VAL 6 3.096 4.172 11.119 21 2HG2 VAL 6 2HG2 VAL 6 3.096 5.919 10.884 22 3HG2 VAL 6 3HG2 VAL 6 3.735 4.862 9.626 23 H MET 7 H MET 7 0.427 2.888 6.813 24 HA MET 7 HA MET 7 2.869 2.864 5.317 25 1HB MET 7 2HB MET 7 1.040 1.427 4.629 26 2HB MET 7 1HB MET 7 -0.026 2.814 4.436 27 1HG MET 7 2HG MET 7 1.380 3.636 2.613 28 2HG MET 7 1HG MET 7 2.437 2.240 2.802 29 1HE MET 7 1HE MET 7 -1.211 3.426 1.890 30 2HE MET 7 2HE MET 7 -1.489 2.214 3.141 31 3HE MET 7 3HE MET 7 -1.977 1.893 1.477 32 H ALA 8 H ALA 8 3.888 4.790 5.254 33 HA ALA 8 HA ALA 8 2.548 7.271 4.760 34 1HB ALA 8 1HB ALA 8 5.476 6.594 4.460 35 2HB ALA 8 2HB ALA 8 4.707 7.161 5.943 36 3HB ALA 8 3HB ALA 8 4.781 8.213 4.529 37 H THR 9 H THR 9 1.819 7.968 2.854 38 HA THR 9 HA THR 9 2.599 6.413 0.490 39 HB THR 9 HB THR 9 0.465 7.293 -0.483 40 HG1 THR 9 HG1 THR 9 -0.215 7.979 2.190 41 1HG2 THR 9 1HG2 THR 9 0.209 5.715 2.081 42 2HG2 THR 9 2HG2 THR 9 0.592 5.045 0.495 43 3HG2 THR 9 3HG2 THR 9 -0.987 5.777 0.785 44 H LYS 10 H LYS 10 2.288 7.634 -1.600 45 HA LYS 10 HA LYS 10 4.098 9.696 -1.948 46 1HB LYS 10 2HB LYS 10 3.278 8.322 -3.775 47 2HB LYS 10 1HB LYS 10 1.650 8.943 -3.555 48 1HG LYS 10 2HG LYS 10 2.306 11.109 -4.332 49 2HG LYS 10 1HG LYS 10 4.003 10.623 -4.386 50 1HD LYS 10 2HD LYS 10 2.971 10.592 -6.617 51 2HD LYS 10 1HD LYS 10 3.492 8.980 -6.116 52 1HE LYS 10 2HE LYS 10 1.181 8.493 -5.394 53 2HE LYS 10 1HE LYS 10 0.685 10.076 -5.989 54 1HZ LYS 10 1HZ LYS 10 1.862 7.918 -7.656 55 2HZ LYS 10 2HZ LYS 10 1.315 9.422 -8.212 56 3HZ LYS 10 3HZ LYS 10 0.214 8.303 -7.572 57 H ASP 11 H ASP 11 0.655 9.820 -1.288 58 HA ASP 11 HA ASP 11 0.273 12.581 -1.765 59 1HB ASP 11 2HB ASP 11 -1.544 10.887 -1.724 60 2HB ASP 11 1HB ASP 11 -1.333 10.735 0.016 61 H GLY 12 H GLY 12 1.727 10.877 0.796 62 1HA GLY 12 2HA GLY 12 3.012 11.910 2.470 63 2HA GLY 12 1HA GLY 12 2.058 13.372 2.268 64 H ARG 13 H ARG 13 -0.062 10.857 2.353 65 HA ARG 13 HA ARG 13 -0.676 11.446 5.146 66 1HB ARG 13 2HB ARG 13 -2.895 10.520 4.683 67 2HB ARG 13 1HB ARG 13 -2.484 11.807 3.560 68 1HG ARG 13 2HG ARG 13 -1.836 10.023 1.913 69 2HG ARG 13 1HG ARG 13 -2.533 8.848 3.030 70 1HD ARG 13 2HD ARG 13 -3.997 11.183 1.801 71 2HD ARG 13 1HD ARG 13 -4.112 9.510 1.263 72 HE ARG 13 HE ARG 13 -5.318 8.982 3.216 73 1HH1 ARG 13 1HH1 ARG 13 -4.501 12.399 3.060 74 2HH1 ARG 13 2HH1 ARG 13 -5.734 12.861 4.189 75 1HH2 ARG 13 1HH2 ARG 13 -6.941 9.613 4.686 76 2HH2 ARG 13 2HH2 ARG 13 -7.120 11.292 5.112 77 H MET 14 H MET 14 -0.884 9.929 6.702 78 HA MET 14 HA MET 14 0.412 7.375 6.156 79 1HB MET 14 2HB MET 14 -0.208 8.906 8.666 80 2HB MET 14 1HB MET 14 0.177 7.194 8.740 81 1HG MET 14 2HG MET 14 2.151 8.440 9.185 82 2HG MET 14 1HG MET 14 2.319 7.670 7.610 83 1HE MET 14 1HE MET 14 4.217 10.004 8.620 84 2HE MET 14 2HE MET 14 4.318 11.017 7.180 85 3HE MET 14 3HE MET 14 4.373 9.261 7.028 86 H ILE 15 H ILE 15 -0.897 5.801 5.518 87 HA ILE 15 HA ILE 15 -3.601 5.636 6.600 88 HB ILE 15 HB ILE 15 -2.208 3.918 4.534 89 1HG1 ILE 15 2HG1 ILE 15 -4.339 6.052 4.235 90 2HG1 ILE 15 1HG1 ILE 15 -2.641 6.239 3.809 91 1HG2 ILE 15 1HG2 ILE 15 -3.906 2.639 5.713 92 2HG2 ILE 15 2HG2 ILE 15 -4.442 2.998 4.071 93 3HG2 ILE 15 3HG2 ILE 15 -5.090 3.917 5.431 94 1HD1 ILE 15 1HD1 ILE 15 -4.580 4.322 2.533 95 2HD1 ILE 15 2HD1 ILE 15 -2.882 4.519 2.099 96 3HD1 ILE 15 3HD1 ILE 15 -4.016 5.847 1.848 97 H LEU 16 H LEU 16 -4.120 4.302 8.242 98 HA LEU 16 HA LEU 16 -2.033 3.088 9.739 99 1HB LEU 16 2HB LEU 16 -4.476 4.031 10.355 100 2HB LEU 16 1HB LEU 16 -4.859 2.325 10.237 101 HG LEU 16 HG LEU 16 -4.416 2.987 12.542 102 1HD1 LEU 16 1HD1 LEU 16 -2.760 1.293 13.114 103 2HD1 LEU 16 2HD1 LEU 16 -2.249 1.216 11.428 104 3HD1 LEU 16 3HD1 LEU 16 -3.876 0.706 11.879 105 1HD2 LEU 16 1HD2 LEU 16 -1.683 3.743 11.519 106 2HD2 LEU 16 2HD2 LEU 16 -2.148 3.662 13.219 107 3HD2 LEU 16 3HD2 LEU 16 -2.914 4.838 12.152 108 H THR 17 H THR 17 -1.078 1.222 9.207 109 HA THR 17 HA THR 17 -2.663 -0.761 7.721 110 HB THR 17 HB THR 17 -0.320 -1.260 6.646 111 HG1 THR 17 HG1 THR 17 1.139 0.202 7.125 112 1HG2 THR 17 1HG2 THR 17 -0.876 0.271 4.796 113 2HG2 THR 17 2HG2 THR 17 -2.028 1.102 5.843 114 3HG2 THR 17 3HG2 THR 17 -2.304 -0.580 5.392 115 H ASP 18 H ASP 18 -2.875 -1.714 9.978 116 HA ASP 18 HA ASP 18 -0.619 -3.516 10.466 117 1HB ASP 18 2HB ASP 18 -1.819 -2.763 12.474 118 2HB ASP 18 1HB ASP 18 -3.333 -3.389 11.820 119 H GLY 19 H GLY 19 -0.539 -5.517 9.498 120 1HA GLY 19 2HA GLY 19 -1.736 -7.265 8.204 121 2HA GLY 19 1HA GLY 19 -2.836 -5.991 7.665 122 H LYS 20 H LYS 20 -1.754 -4.123 6.345 123 HA LYS 20 HA LYS 20 0.162 -2.948 5.968 124 1HB LYS 20 2HB LYS 20 0.955 -3.967 8.030 125 2HB LYS 20 1HB LYS 20 1.525 -5.366 7.145 126 1HG LYS 20 2HG LYS 20 2.603 -2.624 6.589 127 2HG LYS 20 1HG LYS 20 3.230 -3.613 7.906 128 1HD LYS 20 2HD LYS 20 3.250 -4.230 4.956 129 2HD LYS 20 1HD LYS 20 4.638 -3.958 6.013 130 1HE LYS 20 2HE LYS 20 4.293 -6.009 7.141 131 2HE LYS 20 1HE LYS 20 2.695 -6.214 6.423 132 1HZ LYS 20 1HZ LYS 20 5.345 -6.540 5.158 133 2HZ LYS 20 2HZ LYS 20 3.959 -6.249 4.223 134 3HZ LYS 20 3HZ LYS 20 4.040 -7.626 5.209 135 HA PRO 21 HA PRO 21 0.930 -3.558 1.770 136 1HB PRO 21 2HB PRO 21 3.484 -2.199 2.523 137 2HB PRO 21 1HB PRO 21 2.391 -1.865 1.174 138 1HG PRO 21 2HG PRO 21 2.300 -0.336 3.317 139 2HG PRO 21 1HG PRO 21 0.794 -0.874 2.550 140 1HD PRO 21 2HD PRO 21 2.080 -1.818 5.064 141 2HD PRO 21 1HD PRO 21 0.358 -1.658 4.665 142 H GLU 22 H GLU 22 1.539 -5.287 0.732 143 HA GLU 22 HA GLU 22 4.256 -6.355 1.165 144 1HB GLU 22 2HB GLU 22 2.007 -7.804 1.398 145 2HB GLU 22 1HB GLU 22 2.179 -7.875 -0.345 146 1HG GLU 22 2HG GLU 22 4.438 -8.791 -0.075 147 2HG GLU 22 1HG GLU 22 4.210 -8.786 1.675 148 H ILE 23 H ILE 23 5.586 -5.598 -0.412 149 HA ILE 23 HA ILE 23 4.514 -4.342 -2.733 150 HB ILE 23 HB ILE 23 7.398 -5.067 -2.187 151 1HG1 ILE 23 2HG1 ILE 23 5.855 -2.518 -1.632 152 2HG1 ILE 23 1HG1 ILE 23 6.497 -3.624 -0.423 153 1HG2 ILE 23 1HG2 ILE 23 7.886 -3.283 -3.819 154 2HG2 ILE 23 2HG2 ILE 23 6.157 -3.119 -4.131 155 3HG2 ILE 23 3HG2 ILE 23 6.988 -4.621 -4.536 156 1HD1 ILE 23 1HD1 ILE 23 8.128 -1.998 -2.359 157 2HD1 ILE 23 2HD1 ILE 23 8.764 -3.091 -1.130 158 3HD1 ILE 23 3HD1 ILE 23 7.885 -1.640 -0.649 159 H ASP 24 H ASP 24 3.599 -5.500 -4.260 160 HA ASP 24 HA ASP 24 4.556 -8.117 -5.036 161 1HB ASP 24 2HB ASP 24 2.091 -7.062 -5.030 162 2HB ASP 24 1HB ASP 24 2.559 -6.594 -6.660 163 H ASP 25 H ASP 25 6.593 -7.850 -5.900 164 HA ASP 25 HA ASP 25 7.233 -5.372 -7.213 165 1HB ASP 25 2HB ASP 25 8.624 -6.734 -5.480 166 2HB ASP 25 1HB ASP 25 9.164 -7.641 -6.887 167 H ASP 26 H ASP 26 6.257 -8.440 -8.292 168 HA ASP 26 HA ASP 26 7.659 -8.181 -10.845 169 1HB ASP 26 2HB ASP 26 5.989 -10.344 -9.595 170 2HB ASP 26 1HB ASP 26 6.312 -10.350 -11.324 171 H THR 27 H THR 27 5.049 -6.945 -9.440 172 HA THR 27 HA THR 27 3.402 -7.020 -11.874 173 HB THR 27 HB THR 27 2.169 -6.484 -9.213 174 HG1 THR 27 HG1 THR 27 2.175 -8.657 -8.682 175 1HG2 THR 27 1HG2 THR 27 0.848 -6.453 -11.290 176 2HG2 THR 27 2HG2 THR 27 0.331 -7.743 -10.202 177 3HG2 THR 27 3HG2 THR 27 1.334 -8.120 -11.604 178 H GLY 28 H GLY 28 4.587 -5.079 -9.178 179 1HA GLY 28 2HA GLY 28 5.163 -2.781 -9.424 180 2HA GLY 28 1HA GLY 28 4.003 -2.662 -10.742 181 H LEU 29 H LEU 29 2.851 -4.418 -8.102 182 HA LEU 29 HA LEU 29 1.347 -2.077 -7.139 183 1HB LEU 29 2HB LEU 29 0.444 -4.928 -7.522 184 2HB LEU 29 1HB LEU 29 -0.437 -3.789 -6.524 185 HG LEU 29 HG LEU 29 -0.547 -2.313 -8.627 186 1HD1 LEU 29 1HD1 LEU 29 0.086 -4.955 -9.929 187 2HD1 LEU 29 2HD1 LEU 29 1.116 -3.524 -9.942 188 3HD1 LEU 29 3HD1 LEU 29 -0.450 -3.489 -10.750 189 1HD2 LEU 29 1HD2 LEU 29 -2.457 -3.452 -7.647 190 2HD2 LEU 29 2HD2 LEU 29 -2.041 -4.925 -8.522 191 3HD2 LEU 29 3HD2 LEU 29 -2.539 -3.483 -9.409 192 H VAL 30 H VAL 30 0.384 -2.555 -4.904 193 HA VAL 30 HA VAL 30 2.210 -4.162 -3.258 194 HB VAL 30 HB VAL 30 1.353 -1.340 -2.580 195 1HG1 VAL 30 1HG1 VAL 30 1.533 -2.739 -0.611 196 2HG1 VAL 30 2HG1 VAL 30 2.861 -1.579 -0.666 197 3HG1 VAL 30 3HG1 VAL 30 3.144 -3.262 -1.112 198 1HG2 VAL 30 1HG2 VAL 30 4.062 -2.405 -3.361 199 2HG2 VAL 30 2HG2 VAL 30 3.745 -0.778 -2.763 200 3HG2 VAL 30 3HG2 VAL 30 3.060 -1.300 -4.303 201 H SER 31 H SER 31 1.003 -5.591 -2.188 202 HA SER 31 HA SER 31 -1.845 -5.181 -1.900 203 1HB SER 31 2HB SER 31 -1.663 -7.517 -0.828 204 2HB SER 31 1HB SER 31 -1.261 -7.377 -2.534 205 HG SER 31 HG SER 31 0.316 -8.583 -1.470 206 H TYR 32 H TYR 32 -2.493 -3.883 -0.276 207 HA TYR 32 HA TYR 32 -1.188 -4.268 2.335 208 1HB TYR 32 2HB TYR 32 -1.449 -2.024 2.867 209 2HB TYR 32 1HB TYR 32 -1.084 -1.947 1.150 210 HD1 TYR 32 HD1 TYR 32 -3.208 -1.887 -0.437 211 HD2 TYR 32 HD2 TYR 32 -3.238 -0.850 3.694 212 HE1 TYR 32 HE1 TYR 32 -5.240 -0.542 -0.793 213 HE2 TYR 32 HE2 TYR 32 -5.265 0.494 3.348 214 HH TYR 32 HH TYR 32 -6.489 1.562 1.680 215 H HIS 33 H HIS 33 -2.551 -4.143 4.204 216 HA HIS 33 HA HIS 33 -5.299 -5.017 3.603 217 1HB HIS 33 2HB HIS 33 -3.515 -5.845 5.916 218 2HB HIS 33 1HB HIS 33 -5.194 -6.333 5.714 219 HD1 HIS 33 HD1 HIS 33 -2.849 -8.396 5.857 220 HD2 HIS 33 HD2 HIS 33 -4.530 -6.913 2.347 221 HE1 HIS 33 HE1 HIS 33 -2.345 -10.104 4.080 222 HE2 HIS 33 HE2 HIS 33 -3.315 -9.158 1.952 223 H ASP 34 H ASP 34 -6.876 -3.842 4.397 224 HA ASP 34 HA ASP 34 -6.410 -1.381 5.692 225 1HB ASP 34 2HB ASP 34 -8.661 -2.763 4.564 226 2HB ASP 34 1HB ASP 34 -9.108 -2.063 6.115 227 H GLN 35 H GLN 35 -7.744 -0.712 7.583 228 HA GLN 35 HA GLN 35 -6.988 -2.112 9.934 229 1HB GLN 35 2HB GLN 35 -9.064 0.063 9.603 230 2HB GLN 35 1HB GLN 35 -8.271 -0.399 11.103 231 1HG GLN 35 2HG GLN 35 -6.183 0.445 10.349 232 2HG GLN 35 1HG GLN 35 -6.801 0.677 8.714 233 1HE2 GLN 35 1HE2 GLN 35 -8.124 2.427 8.274 234 2HE2 GLN 35 2HE2 GLN 35 -8.304 3.754 9.369 235 H GLN 36 H GLN 36 -9.451 -2.623 7.732 236 HA GLN 36 HA GLN 36 -11.117 -4.022 9.719 237 1HB GLN 36 2HB GLN 36 -11.889 -2.843 7.039 238 2HB GLN 36 1HB GLN 36 -12.957 -3.815 8.044 239 1HG GLN 36 2HG GLN 36 -11.715 -1.207 8.885 240 2HG GLN 36 1HG GLN 36 -13.350 -1.389 8.251 241 1HE2 GLN 36 1HE2 GLN 36 -11.234 -2.032 10.949 242 2HE2 GLN 36 2HE2 GLN 36 -12.480 -2.423 12.090 243 H GLY 37 H GLY 37 -8.667 -4.863 8.152 244 1HA GLY 37 2HA GLY 37 -7.913 -6.825 7.233 245 2HA GLY 37 1HA GLY 37 -9.472 -7.523 7.644 246 H ASN 38 H ASN 38 -8.822 -4.814 5.468 247 HA ASN 38 HA ASN 38 -10.174 -6.289 3.325 248 1HB ASN 38 2HB ASN 38 -9.383 -3.364 3.464 249 2HB ASN 38 1HB ASN 38 -10.286 -4.116 2.158 250 1HD2 ASN 38 1HD2 ASN 38 -10.986 -1.906 3.944 251 2HD2 ASN 38 2HD2 ASN 38 -12.482 -2.373 4.679 252 H ALA 39 H ALA 39 -8.941 -7.360 1.919 253 HA ALA 39 HA ALA 39 -6.132 -6.678 1.622 254 1HB ALA 39 1HB ALA 39 -6.787 -9.029 1.810 255 2HB ALA 39 2HB ALA 39 -5.978 -8.705 0.278 256 3HB ALA 39 3HB ALA 39 -7.732 -8.885 0.328 257 H MET 40 H MET 40 -5.771 -4.929 0.382 258 HA MET 40 HA MET 40 -6.911 -4.959 -2.330 259 1HB MET 40 2HB MET 40 -6.722 -2.573 -0.489 260 2HB MET 40 1HB MET 40 -7.028 -2.448 -2.216 261 1HG MET 40 2HG MET 40 -9.039 -3.839 -1.913 262 2HG MET 40 1HG MET 40 -8.756 -3.816 -0.174 263 1HE MET 40 1HE MET 40 -9.168 -1.812 1.378 264 2HE MET 40 2HE MET 40 -9.380 -0.154 0.817 265 3HE MET 40 3HE MET 40 -7.851 -0.987 0.545 266 H GLN 41 H GLN 41 -5.636 -3.854 -3.930 267 HA GLN 41 HA GLN 41 -2.794 -3.771 -3.166 268 1HB GLN 41 2HB GLN 41 -4.015 -4.451 -5.847 269 2HB GLN 41 1HB GLN 41 -2.292 -4.364 -5.508 270 1HG GLN 41 2HG GLN 41 -2.534 -6.201 -3.900 271 2HG GLN 41 1HG GLN 41 -4.250 -6.300 -4.290 272 1HE2 GLN 41 1HE2 GLN 41 -2.160 -8.308 -4.584 273 2HE2 GLN 41 2HE2 GLN 41 -2.122 -8.734 -6.262 274 H ILE 42 H ILE 42 -1.843 -1.874 -3.275 275 HA ILE 42 HA ILE 42 -3.048 0.247 -4.914 276 HB ILE 42 HB ILE 42 -1.745 1.834 -3.680 277 1HG1 ILE 42 2HG1 ILE 42 -0.510 -0.300 -1.977 278 2HG1 ILE 42 1HG1 ILE 42 0.237 0.131 -3.513 279 1HG2 ILE 42 1HG2 ILE 42 -2.533 1.469 -1.385 280 2HG2 ILE 42 2HG2 ILE 42 -2.918 -0.201 -1.799 281 3HG2 ILE 42 3HG2 ILE 42 -3.777 1.123 -2.586 282 1HD1 ILE 42 1HD1 ILE 42 1.254 1.352 -1.697 283 2HD1 ILE 42 2HD1 ILE 42 -0.317 2.001 -1.224 284 3HD1 ILE 42 3HD1 ILE 42 0.393 2.450 -2.776 285 H ASN 43 H ASN 43 -1.093 1.817 -5.683 286 HA ASN 43 HA ASN 43 0.468 0.155 -7.484 287 1HB ASN 43 2HB ASN 43 -0.769 2.278 -8.162 288 2HB ASN 43 1HB ASN 43 0.489 3.166 -7.314 289 1HD2 ASN 43 1HD2 ASN 43 -0.318 1.328 -10.115 290 2HD2 ASN 43 2HD2 ASN 43 1.167 1.594 -10.969 291 H ARG 44 H ARG 44 2.733 0.260 -7.671 292 HA ARG 44 HA ARG 44 4.215 0.359 -5.274 293 1HB ARG 44 2HB ARG 44 4.702 -0.817 -7.542 294 2HB ARG 44 1HB ARG 44 5.430 0.712 -8.003 295 1HG ARG 44 2HG ARG 44 6.907 0.497 -5.977 296 2HG ARG 44 1HG ARG 44 6.284 -1.149 -5.805 297 1HD ARG 44 2HD ARG 44 6.965 -1.431 -8.271 298 2HD ARG 44 1HD ARG 44 7.924 0.026 -8.026 299 HE ARG 44 HE ARG 44 8.325 -2.546 -6.653 300 1HH1 ARG 44 1HH1 ARG 44 9.490 0.651 -7.510 301 2HH1 ARG 44 2HH1 ARG 44 11.151 0.266 -7.150 302 1HH2 ARG 44 1HH2 ARG 44 10.487 -3.056 -6.218 303 2HH2 ARG 44 2HH2 ARG 44 11.713 -1.829 -6.408 304 H ASP 45 H ASP 45 3.337 2.767 -7.581 305 HA ASP 45 HA ASP 45 5.338 4.693 -6.741 306 1HB ASP 45 2HB ASP 45 4.753 4.666 -9.075 307 2HB ASP 45 1HB ASP 45 3.040 4.816 -8.705 308 H ASP 46 H ASP 46 2.175 3.772 -5.816 309 HA ASP 46 HA ASP 46 1.391 6.360 -4.812 310 1HB ASP 46 2HB ASP 46 0.161 3.617 -4.519 311 2HB ASP 46 1HB ASP 46 -0.499 5.049 -3.737 312 H VAL 47 H VAL 47 2.914 3.488 -3.573 313 HA VAL 47 HA VAL 47 2.743 4.376 -0.821 314 HB VAL 47 HB VAL 47 2.634 1.971 -1.311 315 1HG1 VAL 47 1HG1 VAL 47 5.476 2.246 -2.261 316 2HG1 VAL 47 2HG1 VAL 47 4.074 1.926 -3.279 317 3HG1 VAL 47 3HG1 VAL 47 4.580 0.739 -2.078 318 1HG2 VAL 47 1HG2 VAL 47 4.293 1.194 0.322 319 2HG2 VAL 47 2HG2 VAL 47 3.456 2.650 0.863 320 3HG2 VAL 47 3HG2 VAL 47 5.098 2.760 0.229 321 H SER 48 H SER 48 4.381 5.268 0.370 322 HA SER 48 HA SER 48 6.726 6.139 -1.173 323 1HB SER 48 2HB SER 48 5.419 8.022 -0.478 324 2HB SER 48 1HB SER 48 5.287 7.407 1.166 325 HG SER 48 HG SER 48 6.860 9.040 1.039 326 H GLN 49 H GLN 49 5.829 5.350 2.211 327 HA GLN 49 HA GLN 49 8.250 3.761 2.464 328 1HB GLN 49 2HB GLN 49 8.965 6.076 3.029 329 2HB GLN 49 1HB GLN 49 7.736 6.128 4.285 330 1HG GLN 49 2HG GLN 49 8.864 4.172 5.355 331 2HG GLN 49 1HG GLN 49 10.164 4.355 4.179 332 1HE2 GLN 49 1HE2 GLN 49 9.923 7.287 4.208 333 2HE2 GLN 49 2HE2 GLN 49 10.645 7.800 5.697 334 H ILE 50 H ILE 50 8.005 2.113 3.888 335 HA ILE 50 HA ILE 50 5.735 2.223 5.755 336 HB ILE 50 HB ILE 50 5.435 -0.239 5.418 337 1HG1 ILE 50 2HG1 ILE 50 7.151 0.252 2.973 338 2HG1 ILE 50 1HG1 ILE 50 7.608 -0.718 4.369 339 1HG2 ILE 50 1HG2 ILE 50 4.128 -0.006 3.353 340 2HG2 ILE 50 2HG2 ILE 50 4.928 1.534 3.034 341 3HG2 ILE 50 3HG2 ILE 50 3.892 1.353 4.450 342 1HD1 ILE 50 1HD1 ILE 50 5.310 -1.312 2.525 343 2HD1 ILE 50 2HD1 ILE 50 5.863 -2.312 3.871 344 3HD1 ILE 50 3HD1 ILE 50 6.897 -2.077 2.461 345 H ILE 51 H ILE 51 6.117 1.388 7.777 346 HA ILE 51 HA ILE 51 8.717 0.172 8.342 347 HB ILE 51 HB ILE 51 9.112 1.789 10.232 348 1HG1 ILE 51 2HG1 ILE 51 7.085 3.461 8.728 349 2HG1 ILE 51 1HG1 ILE 51 6.836 2.738 10.313 350 1HG2 ILE 51 1HG2 ILE 51 10.439 1.885 8.206 351 2HG2 ILE 51 2HG2 ILE 51 10.138 3.512 8.815 352 3HG2 ILE 51 3HG2 ILE 51 9.225 2.904 7.433 353 1HD1 ILE 51 1HD1 ILE 51 7.357 5.107 10.479 354 2HD1 ILE 51 2HD1 ILE 51 8.884 4.836 9.638 355 3HD1 ILE 51 3HD1 ILE 51 8.616 4.126 11.229 356 H GLU 52 H GLU 52 5.645 -0.219 8.566 357 HA GLU 52 HA GLU 52 4.765 -0.330 11.154 358 1HB GLU 52 2HB GLU 52 4.245 -2.302 8.925 359 2HB GLU 52 1HB GLU 52 3.329 -2.241 10.423 360 1HG GLU 52 2HG GLU 52 1.984 -1.063 8.991 361 2HG GLU 52 1HG GLU 52 2.896 0.225 9.771 362 H ARG 53 H ARG 53 6.167 -3.161 9.478 363 HA ARG 53 HA ARG 53 7.297 -3.997 12.054 364 1HB ARG 53 2HB ARG 53 5.934 -5.859 10.095 365 2HB ARG 53 1HB ARG 53 6.684 -6.318 11.620 366 1HG ARG 53 2HG ARG 53 5.032 -4.827 12.773 367 2HG ARG 53 1HG ARG 53 4.215 -4.646 11.222 368 1HD ARG 53 2HD ARG 53 3.981 -7.131 11.145 369 2HD ARG 53 1HD ARG 53 4.634 -7.188 12.781 370 HE ARG 53 HE ARG 53 2.034 -6.082 11.977 371 1HH1 ARG 53 1HH1 ARG 53 4.276 -7.001 14.523 372 2HH1 ARG 53 2HH1 ARG 53 3.077 -6.896 15.782 373 1HH2 ARG 53 1HH2 ARG 53 0.462 -5.918 13.632 374 2HH2 ARG 53 2HH2 ARG 53 0.924 -6.256 15.280 Start of MODEL 5 1 H ASP 4 H ASP 4 -0.661 -1.663 14.904 2 HA ASP 4 HA ASP 4 2.071 -1.480 15.648 3 1HB ASP 4 2HB ASP 4 2.299 -3.753 14.725 4 2HB ASP 4 1HB ASP 4 0.914 -3.611 15.797 5 H TYR 5 H TYR 5 0.411 -1.225 12.538 6 HA TYR 5 HA TYR 5 2.947 -0.276 11.423 7 1HB TYR 5 2HB TYR 5 1.332 -2.568 10.446 8 2HB TYR 5 1HB TYR 5 2.003 -1.487 9.228 9 HD1 TYR 5 HD1 TYR 5 2.901 -3.700 12.068 10 HD2 TYR 5 HD2 TYR 5 4.290 -1.568 8.659 11 HE1 TYR 5 HE1 TYR 5 5.079 -4.831 12.259 12 HE2 TYR 5 HE2 TYR 5 6.468 -2.693 8.835 13 HH TYR 5 HH TYR 5 7.835 -3.816 10.502 14 H VAL 6 H VAL 6 2.807 1.429 10.116 15 HA VAL 6 HA VAL 6 0.180 2.309 9.157 16 HB VAL 6 HB VAL 6 2.205 4.175 10.419 17 1HG1 VAL 6 1HG1 VAL 6 -0.602 4.648 9.434 18 2HG1 VAL 6 2HG1 VAL 6 0.886 5.236 8.693 19 3HG1 VAL 6 3HG1 VAL 6 0.395 5.833 10.279 20 1HG2 VAL 6 1HG2 VAL 6 1.213 2.783 12.151 21 2HG2 VAL 6 2HG2 VAL 6 -0.402 3.175 11.562 22 3HG2 VAL 6 3HG2 VAL 6 0.610 4.436 12.265 23 H MET 7 H MET 7 0.247 3.114 7.095 24 HA MET 7 HA MET 7 2.925 3.372 5.888 25 1HB MET 7 2HB MET 7 1.774 1.358 5.108 26 2HB MET 7 1HB MET 7 0.393 2.325 4.610 27 1HG MET 7 2HG MET 7 1.728 3.444 2.937 28 2HG MET 7 1HG MET 7 3.169 2.585 3.473 29 1HE MET 7 1HE MET 7 -0.454 1.084 3.161 30 2HE MET 7 2HE MET 7 -0.443 0.489 1.501 31 3HE MET 7 3HE MET 7 -0.382 2.223 1.818 32 H ALA 8 H ALA 8 3.359 5.380 5.398 33 HA ALA 8 HA ALA 8 1.243 7.261 4.699 34 1HB ALA 8 1HB ALA 8 3.012 8.947 4.722 35 2HB ALA 8 2HB ALA 8 4.227 7.690 4.942 36 3HB ALA 8 3HB ALA 8 3.041 8.002 6.209 37 H THR 9 H THR 9 0.839 7.926 2.643 38 HA THR 9 HA THR 9 2.357 6.511 0.567 39 HB THR 9 HB THR 9 0.379 6.975 -0.877 40 HG1 THR 9 HG1 THR 9 -0.968 7.621 1.543 41 1HG2 THR 9 1HG2 THR 9 -1.055 5.269 0.158 42 2HG2 THR 9 2HG2 THR 9 -0.159 5.440 1.667 43 3HG2 THR 9 3HG2 THR 9 0.645 4.810 0.230 44 H LYS 10 H LYS 10 2.426 7.581 -1.568 45 HA LYS 10 HA LYS 10 3.943 9.893 -1.554 46 1HB LYS 10 2HB LYS 10 3.736 8.168 -3.372 47 2HB LYS 10 1HB LYS 10 2.214 8.914 -3.826 48 1HG LYS 10 2HG LYS 10 3.319 10.945 -4.451 49 2HG LYS 10 1HG LYS 10 4.858 10.353 -3.819 50 1HD LYS 10 2HD LYS 10 4.795 10.136 -6.244 51 2HD LYS 10 1HD LYS 10 4.829 8.542 -5.484 52 1HE LYS 10 2HE LYS 10 2.274 8.613 -5.663 53 2HE LYS 10 1HE LYS 10 2.519 9.955 -6.780 54 1HZ LYS 10 1HZ LYS 10 2.631 8.361 -8.311 55 2HZ LYS 10 2HZ LYS 10 2.910 7.133 -7.183 56 3HZ LYS 10 3HZ LYS 10 4.209 8.074 -7.745 57 H ASP 11 H ASP 11 0.466 9.506 -2.039 58 HA ASP 11 HA ASP 11 -0.043 12.146 -2.916 59 1HB ASP 11 2HB ASP 11 -1.517 9.996 -3.061 60 2HB ASP 11 1HB ASP 11 -2.098 10.499 -1.477 61 H GLY 12 H GLY 12 0.320 10.720 0.230 62 1HA GLY 12 2HA GLY 12 0.901 12.143 2.081 63 2HA GLY 12 1HA GLY 12 -0.145 13.378 1.400 64 H ARG 13 H ARG 13 -1.421 10.202 1.347 65 HA ARG 13 HA ARG 13 -3.113 10.886 3.641 66 1HB ARG 13 2HB ARG 13 -4.687 9.171 2.765 67 2HB ARG 13 1HB ARG 13 -4.415 10.508 1.657 68 1HG ARG 13 2HG ARG 13 -2.794 9.072 0.430 69 2HG ARG 13 1HG ARG 13 -3.279 7.731 1.472 70 1HD ARG 13 2HD ARG 13 -4.482 7.699 -0.662 71 2HD ARG 13 1HD ARG 13 -5.571 7.931 0.703 72 HE ARG 13 HE ARG 13 -5.633 10.316 0.103 73 1HH1 ARG 13 1HH1 ARG 13 -4.515 8.027 -2.315 74 2HH1 ARG 13 2HH1 ARG 13 -4.975 9.035 -3.652 75 1HH2 ARG 13 1HH2 ARG 13 -6.234 11.631 -1.654 76 2HH2 ARG 13 2HH2 ARG 13 -5.944 11.088 -3.279 77 H MET 14 H MET 14 -3.333 9.523 5.365 78 HA MET 14 HA MET 14 -1.097 7.662 5.663 79 1HB MET 14 2HB MET 14 -2.962 8.815 7.743 80 2HB MET 14 1HB MET 14 -1.554 7.819 8.073 81 1HG MET 14 2HG MET 14 -1.490 10.524 6.760 82 2HG MET 14 1HG MET 14 -1.160 10.208 8.462 83 1HE MET 14 1HE MET 14 0.911 8.860 9.348 84 2HE MET 14 2HE MET 14 2.117 8.097 8.310 85 3HE MET 14 3HE MET 14 0.465 7.476 8.349 86 H ILE 15 H ILE 15 -1.442 5.585 5.372 87 HA ILE 15 HA ILE 15 -4.149 4.521 5.762 88 HB ILE 15 HB ILE 15 -1.781 3.345 4.288 89 1HG1 ILE 15 2HG1 ILE 15 -4.405 4.472 3.284 90 2HG1 ILE 15 1HG1 ILE 15 -2.836 5.256 3.143 91 1HG2 ILE 15 1HG2 ILE 15 -3.167 1.608 5.313 92 2HG2 ILE 15 2HG2 ILE 15 -3.311 1.591 3.555 93 3HG2 ILE 15 3HG2 ILE 15 -4.598 2.290 4.540 94 1HD1 ILE 15 1HD1 ILE 15 -3.705 2.701 1.810 95 2HD1 ILE 15 2HD1 ILE 15 -2.075 3.369 1.739 96 3HD1 ILE 15 3HD1 ILE 15 -3.424 4.267 1.044 97 H LEU 16 H LEU 16 -4.549 3.438 7.555 98 HA LEU 16 HA LEU 16 -2.395 2.554 9.275 99 1HB LEU 16 2HB LEU 16 -5.403 2.398 9.518 100 2HB LEU 16 1HB LEU 16 -4.318 1.696 10.697 101 HG LEU 16 HG LEU 16 -5.098 3.786 11.550 102 1HD1 LEU 16 1HD1 LEU 16 -2.270 4.100 10.560 103 2HD1 LEU 16 2HD1 LEU 16 -2.776 3.245 12.017 104 3HD1 LEU 16 3HD1 LEU 16 -3.008 4.989 11.894 105 1HD2 LEU 16 1HD2 LEU 16 -4.101 5.040 8.995 106 2HD2 LEU 16 2HD2 LEU 16 -4.719 5.916 10.396 107 3HD2 LEU 16 3HD2 LEU 16 -5.786 4.851 9.481 108 H THR 17 H THR 17 -1.582 0.517 9.290 109 HA THR 17 HA THR 17 -3.005 -1.421 7.599 110 HB THR 17 HB THR 17 -0.661 -2.372 7.146 111 HG1 THR 17 HG1 THR 17 0.005 -0.386 8.779 112 1HG2 THR 17 1HG2 THR 17 -1.981 -1.231 5.438 113 2HG2 THR 17 2HG2 THR 17 -0.282 -0.779 5.303 114 3HG2 THR 17 3HG2 THR 17 -1.433 0.336 6.038 115 H ASP 18 H ASP 18 -3.202 -3.473 8.244 116 HA ASP 18 HA ASP 18 -2.609 -4.233 10.950 117 1HB ASP 18 2HB ASP 18 -4.587 -5.095 9.752 118 2HB ASP 18 1HB ASP 18 -3.542 -5.872 8.572 119 H GLY 19 H GLY 19 -0.926 -4.049 8.087 120 1HA GLY 19 2HA GLY 19 1.508 -4.077 8.389 121 2HA GLY 19 1HA GLY 19 1.303 -5.600 9.253 122 H LYS 20 H LYS 20 3.097 -5.742 7.208 123 HA LYS 20 HA LYS 20 3.503 -7.360 5.680 124 1HB LYS 20 2HB LYS 20 0.625 -8.127 6.106 125 2HB LYS 20 1HB LYS 20 1.746 -9.025 5.091 126 1HG LYS 20 2HG LYS 20 3.225 -9.215 7.144 127 2HG LYS 20 1HG LYS 20 1.841 -8.626 8.065 128 1HD LYS 20 2HD LYS 20 1.560 -10.903 8.243 129 2HD LYS 20 1HD LYS 20 0.574 -10.551 6.824 130 1HE LYS 20 2HE LYS 20 3.422 -11.554 6.790 131 2HE LYS 20 1HE LYS 20 1.989 -12.538 6.509 132 1HZ LYS 20 1HZ LYS 20 2.982 -10.314 4.811 133 2HZ LYS 20 2HZ LYS 20 1.507 -11.113 4.565 134 3HZ LYS 20 3HZ LYS 20 2.967 -11.965 4.427 135 HA PRO 21 HA PRO 21 1.864 -4.943 2.193 136 1HB PRO 21 2HB PRO 21 4.164 -3.809 1.400 137 2HB PRO 21 1HB PRO 21 3.199 -3.132 2.716 138 1HG PRO 21 2HG PRO 21 5.725 -4.689 2.829 139 2HG PRO 21 1HG PRO 21 5.145 -3.402 3.898 140 1HD PRO 21 2HD PRO 21 5.017 -6.170 4.392 141 2HD PRO 21 1HD PRO 21 4.177 -4.898 5.296 142 H GLU 22 H GLU 22 1.459 -6.808 1.025 143 HA GLU 22 HA GLU 22 3.636 -8.393 -0.011 144 1HB GLU 22 2HB GLU 22 0.645 -8.520 -0.395 145 2HB GLU 22 1HB GLU 22 1.763 -9.622 -1.187 146 1HG GLU 22 2HG GLU 22 1.421 -9.295 1.783 147 2HG GLU 22 1HG GLU 22 0.789 -10.619 0.802 148 H ILE 23 H ILE 23 4.800 -7.038 -1.312 149 HA ILE 23 HA ILE 23 3.523 -5.627 -3.492 150 HB ILE 23 HB ILE 23 6.490 -5.973 -3.036 151 1HG1 ILE 23 2HG1 ILE 23 4.636 -3.852 -1.923 152 2HG1 ILE 23 1HG1 ILE 23 5.477 -5.079 -0.991 153 1HG2 ILE 23 1HG2 ILE 23 6.651 -3.881 -4.297 154 2HG2 ILE 23 2HG2 ILE 23 4.896 -3.849 -4.470 155 3HG2 ILE 23 3HG2 ILE 23 5.833 -5.133 -5.234 156 1HD1 ILE 23 1HD1 ILE 23 6.780 -2.865 -2.551 157 2HD1 ILE 23 2HD1 ILE 23 7.618 -4.093 -1.603 158 3HD1 ILE 23 3HD1 ILE 23 6.570 -2.922 -0.803 159 H ASP 24 H ASP 24 3.046 -6.605 -5.355 160 HA ASP 24 HA ASP 24 4.211 -9.149 -6.042 161 1HB ASP 24 2HB ASP 24 2.756 -9.155 -7.938 162 2HB ASP 24 1HB ASP 24 1.835 -8.483 -6.603 163 H ASP 25 H ASP 25 5.212 -9.483 -8.234 164 HA ASP 25 HA ASP 25 6.893 -7.161 -8.911 165 1HB ASP 25 2HB ASP 25 8.601 -8.785 -9.694 166 2HB ASP 25 1HB ASP 25 8.274 -8.878 -7.969 167 H ASP 26 H ASP 26 4.254 -8.485 -9.921 168 HA ASP 26 HA ASP 26 4.767 -8.855 -12.724 169 1HB ASP 26 2HB ASP 26 2.185 -8.261 -11.250 170 2HB ASP 26 1HB ASP 26 2.294 -8.678 -12.955 171 H THR 27 H THR 27 3.329 -6.333 -10.728 172 HA THR 27 HA THR 27 4.188 -4.329 -12.706 173 HB THR 27 HB THR 27 1.800 -4.529 -12.979 174 HG1 THR 27 HG1 THR 27 1.790 -2.422 -13.095 175 1HG2 THR 27 1HG2 THR 27 1.577 -4.109 -10.001 176 2HG2 THR 27 2HG2 THR 27 1.243 -5.608 -10.867 177 3HG2 THR 27 3HG2 THR 27 0.225 -4.192 -11.131 178 H GLY 28 H GLY 28 3.731 -5.281 -9.387 179 1HA GLY 28 2HA GLY 28 5.221 -4.500 -7.703 180 2HA GLY 28 1HA GLY 28 5.388 -2.991 -8.591 181 H LEU 29 H LEU 29 2.323 -4.575 -7.913 182 HA LEU 29 HA LEU 29 1.454 -2.213 -6.485 183 1HB LEU 29 2HB LEU 29 0.020 -4.770 -7.198 184 2HB LEU 29 1HB LEU 29 -0.723 -3.441 -6.322 185 HG LEU 29 HG LEU 29 0.319 -3.373 -9.153 186 1HD1 LEU 29 1HD1 LEU 29 -2.465 -3.142 -8.029 187 2HD1 LEU 29 2HD1 LEU 29 -1.807 -4.513 -8.921 188 3HD1 LEU 29 3HD1 LEU 29 -2.020 -2.958 -9.724 189 1HD2 LEU 29 1HD2 LEU 29 0.772 -1.246 -8.053 190 2HD2 LEU 29 2HD2 LEU 29 -0.903 -1.157 -7.509 191 3HD2 LEU 29 3HD2 LEU 29 -0.530 -1.077 -9.229 192 H VAL 30 H VAL 30 1.149 -2.013 -4.368 193 HA VAL 30 HA VAL 30 2.308 -4.080 -2.676 194 HB VAL 30 HB VAL 30 1.404 -1.292 -1.932 195 1HG1 VAL 30 1HG1 VAL 30 1.512 -2.803 -0.033 196 2HG1 VAL 30 2HG1 VAL 30 2.806 -1.607 0.045 197 3HG1 VAL 30 3HG1 VAL 30 3.158 -3.257 -0.469 198 1HG2 VAL 30 1HG2 VAL 30 3.786 -0.703 -1.997 199 2HG2 VAL 30 2HG2 VAL 30 3.168 -1.171 -3.581 200 3HG2 VAL 30 3HG2 VAL 30 4.150 -2.301 -2.649 201 H SER 31 H SER 31 0.832 -5.628 -2.244 202 HA SER 31 HA SER 31 -1.917 -4.948 -1.640 203 1HB SER 31 2HB SER 31 -0.552 -7.632 -1.407 204 2HB SER 31 1HB SER 31 -2.281 -7.325 -1.532 205 HG SER 31 HG SER 31 -0.385 -6.654 -3.541 206 H TYR 32 H TYR 32 -2.240 -4.023 0.270 207 HA TYR 32 HA TYR 32 -0.686 -4.966 2.588 208 1HB TYR 32 2HB TYR 32 -1.105 -2.755 3.576 209 2HB TYR 32 1HB TYR 32 -0.318 -2.596 2.007 210 HD1 TYR 32 HD2 TYR 32 -1.600 -1.823 0.052 211 HD2 TYR 32 HD1 TYR 32 -3.346 -1.940 3.928 212 HE1 TYR 32 HE2 TYR 32 -3.438 -0.393 -0.731 213 HE2 TYR 32 HE1 TYR 32 -5.185 -0.509 3.145 214 HH TYR 32 HH TYR 32 -5.705 1.035 1.447 215 H HIS 33 H HIS 33 -1.879 -4.637 4.703 216 HA HIS 33 HA HIS 33 -4.722 -5.349 4.400 217 1HB HIS 33 2HB HIS 33 -2.884 -5.799 6.770 218 2HB HIS 33 1HB HIS 33 -4.575 -6.276 6.681 219 HD1 HIS 33 HD1 HIS 33 -1.542 -7.864 6.696 220 HD2 HIS 33 HD2 HIS 33 -4.710 -7.979 3.999 221 HE1 HIS 33 HE1 HIS 33 -1.288 -10.026 5.442 222 HE2 HIS 33 HE2 HIS 33 -3.338 -10.175 3.985 223 H ASP 34 H ASP 34 -6.015 -3.650 4.696 224 HA ASP 34 HA ASP 34 -5.268 -1.245 6.001 225 1HB ASP 34 2HB ASP 34 -7.585 -2.262 4.613 226 2HB ASP 34 1HB ASP 34 -8.079 -1.416 6.076 227 H GLN 35 H GLN 35 -6.338 -0.321 7.901 228 HA GLN 35 HA GLN 35 -6.288 -1.907 10.208 229 1HB GLN 35 2HB GLN 35 -6.122 0.547 10.245 230 2HB GLN 35 1HB GLN 35 -7.789 0.676 9.701 231 1HG GLN 35 2HG GLN 35 -8.435 -0.567 11.801 232 2HG GLN 35 1HG GLN 35 -6.777 -0.324 12.345 233 1HE2 GLN 35 1HE2 GLN 35 -6.626 2.308 11.025 234 2HE2 GLN 35 2HE2 GLN 35 -7.522 3.387 12.041 235 H GLN 36 H GLN 36 -8.769 -1.209 7.903 236 HA GLN 36 HA GLN 36 -10.961 -2.203 9.449 237 1HB GLN 36 2HB GLN 36 -10.851 -1.816 6.456 238 2HB GLN 36 1HB GLN 36 -12.285 -1.883 7.466 239 1HG GLN 36 2HG GLN 36 -12.111 0.362 7.102 240 2HG GLN 36 1HG GLN 36 -11.227 0.201 8.613 241 1HE2 GLN 36 1HE2 GLN 36 -10.996 0.789 5.206 242 2HE2 GLN 36 2HE2 GLN 36 -9.355 1.354 5.208 243 H GLY 37 H GLY 37 -8.427 -3.779 8.061 244 1HA GLY 37 2HA GLY 37 -8.099 -6.067 7.824 245 2HA GLY 37 1HA GLY 37 -9.823 -6.313 8.065 246 H ASN 38 H ASN 38 -8.530 -4.092 5.716 247 HA ASN 38 HA ASN 38 -9.777 -5.665 3.585 248 1HB ASN 38 2HB ASN 38 -8.699 -2.839 3.540 249 2HB ASN 38 1HB ASN 38 -9.572 -3.628 2.232 250 1HD2 ASN 38 1HD2 ASN 38 -10.117 -1.200 3.853 251 2HD2 ASN 38 2HD2 ASN 38 -11.731 -1.420 4.441 252 H ALA 39 H ALA 39 -8.623 -6.477 1.865 253 HA ALA 39 HA ALA 39 -5.696 -6.183 2.020 254 1HB ALA 39 1HB ALA 39 -6.535 -8.492 2.211 255 2HB ALA 39 2HB ALA 39 -5.537 -8.259 0.776 256 3HB ALA 39 3HB ALA 39 -7.292 -8.332 0.626 257 H MET 40 H MET 40 -5.362 -4.342 0.846 258 HA MET 40 HA MET 40 -6.526 -4.267 -1.861 259 1HB MET 40 2HB MET 40 -6.015 -1.855 -0.116 260 2HB MET 40 1HB MET 40 -6.846 -1.888 -1.667 261 1HG MET 40 2HG MET 40 -8.405 -3.579 -0.377 262 2HG MET 40 1HG MET 40 -7.796 -2.708 1.019 263 1HE MET 40 1HE MET 40 -7.492 0.279 0.088 264 2HE MET 40 2HE MET 40 -8.275 -0.256 1.574 265 3HE MET 40 3HE MET 40 -9.093 0.886 0.505 266 H GLN 41 H GLN 41 -5.275 -2.556 -3.249 267 HA GLN 41 HA GLN 41 -2.406 -3.113 -2.831 268 1HB GLN 41 2HB GLN 41 -3.937 -3.243 -5.439 269 2HB GLN 41 1HB GLN 41 -2.207 -3.492 -5.255 270 1HG GLN 41 2HG GLN 41 -2.630 -5.462 -3.881 271 2HG GLN 41 1HG GLN 41 -4.365 -5.203 -4.041 272 1HE2 GLN 41 1HE2 GLN 41 -4.202 -4.390 -6.821 273 2HE2 GLN 41 2HE2 GLN 41 -3.881 -5.826 -7.737 274 H ILE 42 H ILE 42 -1.243 -1.264 -2.743 275 HA ILE 42 HA ILE 42 -2.150 1.018 -4.375 276 HB ILE 42 HB ILE 42 -0.765 2.489 -3.108 277 1HG1 ILE 42 2HG1 ILE 42 0.211 0.337 -1.275 278 2HG1 ILE 42 1HG1 ILE 42 1.030 0.577 -2.817 279 1HG2 ILE 42 1HG2 ILE 42 -2.923 1.868 -2.085 280 2HG2 ILE 42 2HG2 ILE 42 -1.708 2.340 -0.897 281 3HG2 ILE 42 3HG2 ILE 42 -2.086 0.638 -1.137 282 1HD1 ILE 42 1HD1 ILE 42 1.487 2.875 -2.255 283 2HD1 ILE 42 2HD1 ILE 42 2.089 1.802 -0.987 284 3HD1 ILE 42 3HD1 ILE 42 0.595 2.706 -0.741 285 H ASN 43 H ASN 43 0.037 2.357 -4.986 286 HA ASN 43 HA ASN 43 1.427 0.490 -6.743 287 1HB ASN 43 2HB ASN 43 0.344 2.574 -7.625 288 2HB ASN 43 1HB ASN 43 1.541 3.506 -6.741 289 1HD2 ASN 43 1HD2 ASN 43 2.353 4.401 -8.607 290 2HD2 ASN 43 2HD2 ASN 43 3.320 3.502 -9.736 291 H ARG 44 H ARG 44 3.650 0.242 -6.798 292 HA ARG 44 HA ARG 44 5.100 0.530 -4.417 293 1HB ARG 44 2HB ARG 44 7.111 0.018 -5.862 294 2HB ARG 44 1HB ARG 44 5.798 -1.150 -5.937 295 1HG ARG 44 2HG ARG 44 5.047 -0.204 -8.044 296 2HG ARG 44 1HG ARG 44 6.315 1.020 -7.965 297 1HD ARG 44 2HD ARG 44 8.020 -0.596 -8.240 298 2HD ARG 44 1HD ARG 44 6.904 -1.930 -7.947 299 HE ARG 44 HE ARG 44 5.891 -1.448 -10.100 300 1HH1 ARG 44 1HH1 ARG 44 9.038 -0.020 -9.488 301 2HH1 ARG 44 2HH1 ARG 44 9.415 0.172 -11.172 302 1HH2 ARG 44 1HH2 ARG 44 6.404 -1.210 -12.307 303 2HH2 ARG 44 2HH2 ARG 44 7.928 -0.514 -12.769 304 H ASP 45 H ASP 45 4.789 2.656 -7.174 305 HA ASP 45 HA ASP 45 6.994 4.343 -6.440 306 1HB ASP 45 2HB ASP 45 6.179 4.145 -8.777 307 2HB ASP 45 1HB ASP 45 4.668 4.910 -8.296 308 H ASP 46 H ASP 46 3.921 3.875 -5.248 309 HA ASP 46 HA ASP 46 3.569 6.645 -4.374 310 1HB ASP 46 2HB ASP 46 1.704 4.301 -4.609 311 2HB ASP 46 1HB ASP 46 1.282 5.707 -3.635 312 H VAL 47 H VAL 47 5.068 3.990 -3.252 313 HA VAL 47 HA VAL 47 4.141 4.079 -0.514 314 HB VAL 47 HB VAL 47 6.664 2.746 -1.508 315 1HG1 VAL 47 1HG1 VAL 47 4.859 2.165 0.835 316 2HG1 VAL 47 2HG1 VAL 47 6.425 2.976 0.915 317 3HG1 VAL 47 3HG1 VAL 47 6.331 1.287 0.416 318 1HG2 VAL 47 1HG2 VAL 47 3.866 1.618 -1.456 319 2HG2 VAL 47 2HG2 VAL 47 5.332 0.686 -1.757 320 3HG2 VAL 47 3HG2 VAL 47 4.836 1.944 -2.890 321 H SER 48 H SER 48 4.648 5.804 0.674 322 HA SER 48 HA SER 48 7.040 7.316 0.005 323 1HB SER 48 2HB SER 48 4.984 8.575 0.126 324 2HB SER 48 1HB SER 48 4.659 7.985 1.754 325 HG SER 48 HG SER 48 6.994 9.455 1.083 326 H GLN 49 H GLN 49 5.467 6.327 3.078 327 HA GLN 49 HA GLN 49 8.075 5.531 4.114 328 1HB GLN 49 2HB GLN 49 7.549 8.043 4.602 329 2HB GLN 49 1HB GLN 49 6.407 7.397 5.773 330 1HG GLN 49 2HG GLN 49 8.355 6.083 6.728 331 2HG GLN 49 1HG GLN 49 9.391 7.098 5.728 332 1HE2 GLN 49 1HE2 GLN 49 10.413 8.135 7.366 333 2HE2 GLN 49 2HE2 GLN 49 9.623 9.226 8.455 334 H ILE 50 H ILE 50 7.928 4.005 5.766 335 HA ILE 50 HA ILE 50 5.217 3.288 6.653 336 HB ILE 50 HB ILE 50 7.334 1.270 5.864 337 1HG1 ILE 50 2HG1 ILE 50 4.720 1.975 4.503 338 2HG1 ILE 50 1HG1 ILE 50 6.321 2.401 3.909 339 1HG2 ILE 50 1HG2 ILE 50 4.471 0.879 6.742 340 2HG2 ILE 50 2HG2 ILE 50 5.901 0.543 7.718 341 3HG2 ILE 50 3HG2 ILE 50 5.592 -0.393 6.256 342 1HD1 ILE 50 1HD1 ILE 50 6.853 0.047 3.624 343 2HD1 ILE 50 2HD1 ILE 50 5.395 0.479 2.732 344 3HD1 ILE 50 3HD1 ILE 50 5.268 -0.397 4.257 345 H ILE 51 H ILE 51 8.485 1.996 7.265 346 HA ILE 51 HA ILE 51 8.109 2.643 10.109 347 HB ILE 51 HB ILE 51 9.287 0.497 10.653 348 1HG1 ILE 51 2HG1 ILE 51 8.631 -0.175 7.776 349 2HG1 ILE 51 1HG1 ILE 51 10.250 0.099 8.407 350 1HG2 ILE 51 1HG2 ILE 51 6.616 0.293 9.276 351 2HG2 ILE 51 2HG2 ILE 51 6.902 0.733 10.960 352 3HG2 ILE 51 3HG2 ILE 51 7.280 -0.895 10.398 353 1HD1 ILE 51 1HD1 ILE 51 8.391 -2.119 9.233 354 2HD1 ILE 51 2HD1 ILE 51 10.019 -1.847 9.853 355 3HD1 ILE 51 3HD1 ILE 51 9.782 -2.271 8.158 356 H GLU 52 H GLU 52 10.400 1.882 11.198 357 HA GLU 52 HA GLU 52 12.301 3.745 10.005 358 1HB GLU 52 2HB GLU 52 11.505 3.472 12.553 359 2HB GLU 52 1HB GLU 52 12.852 2.348 12.583 360 1HG GLU 52 2HG GLU 52 13.199 5.135 11.555 361 2HG GLU 52 1HG GLU 52 13.236 4.795 13.282 362 H ARG 53 H ARG 53 14.587 3.150 9.929 363 HA ARG 53 HA ARG 53 16.272 1.928 9.112 364 1HB ARG 53 2HB ARG 53 14.868 -0.166 10.718 365 2HB ARG 53 1HB ARG 53 16.246 -0.600 9.714 366 1HG ARG 53 2HG ARG 53 16.187 1.346 12.002 367 2HG ARG 53 1HG ARG 53 17.063 -0.186 11.899 368 1HD ARG 53 2HD ARG 53 18.364 0.756 10.002 369 2HD ARG 53 1HD ARG 53 17.559 2.300 10.265 370 HE ARG 53 HE ARG 53 19.541 1.038 12.019 371 1HH1 ARG 53 1HH1 ARG 53 17.407 3.749 11.354 372 2HH1 ARG 53 2HH1 ARG 53 18.308 4.846 12.350 373 1HH2 ARG 53 1HH2 ARG 53 20.715 2.485 13.314 374 2HH2 ARG 53 2HH2 ARG 53 20.181 4.131 13.473 Start of MODEL 6 1 H ASP 4 H ASP 4 0.645 -0.780 16.945 2 HA ASP 4 HA ASP 4 -1.705 0.334 15.568 3 1HB ASP 4 2HB ASP 4 -1.158 1.466 17.751 4 2HB ASP 4 1HB ASP 4 0.410 1.893 17.077 5 H TYR 5 H TYR 5 -1.309 0.495 13.436 6 HA TYR 5 HA TYR 5 1.464 0.978 12.587 7 1HB TYR 5 2HB TYR 5 -0.509 -0.996 11.437 8 2HB TYR 5 1HB TYR 5 0.938 -0.479 10.580 9 HD1 TYR 5 HD1 TYR 5 3.188 -0.993 11.559 10 HD2 TYR 5 HD2 TYR 5 -0.401 -2.647 13.142 11 HE1 TYR 5 HE1 TYR 5 4.501 -2.720 12.712 12 HE2 TYR 5 HE2 TYR 5 0.904 -4.383 14.298 13 HH TYR 5 HH TYR 5 3.075 -5.485 14.120 14 H VAL 6 H VAL 6 1.727 1.973 10.539 15 HA VAL 6 HA VAL 6 -0.518 3.113 9.161 16 HB VAL 6 HB VAL 6 -0.233 4.673 11.084 17 1HG1 VAL 6 1HG1 VAL 6 1.742 6.133 11.170 18 2HG1 VAL 6 2HG1 VAL 6 2.492 5.171 9.895 19 3HG1 VAL 6 3HG1 VAL 6 2.145 4.440 11.462 20 1HG2 VAL 6 1HG2 VAL 6 -0.198 6.735 9.783 21 2HG2 VAL 6 2HG2 VAL 6 -1.147 5.487 8.976 22 3HG2 VAL 6 3HG2 VAL 6 0.478 5.863 8.406 23 H MET 7 H MET 7 0.136 4.055 7.141 24 HA MET 7 HA MET 7 2.962 3.636 6.453 25 1HB MET 7 2HB MET 7 1.570 1.752 5.617 26 2HB MET 7 1HB MET 7 0.601 2.901 4.709 27 1HG MET 7 2HG MET 7 3.538 2.828 4.252 28 2HG MET 7 1HG MET 7 2.537 1.544 3.579 29 1HE MET 7 1HE MET 7 -0.144 2.967 2.900 30 2HE MET 7 2HE MET 7 0.677 1.901 1.761 31 3HE MET 7 3HE MET 7 0.119 3.489 1.237 32 H ALA 8 H ALA 8 3.889 5.276 5.421 33 HA ALA 8 HA ALA 8 2.253 7.641 4.907 34 1HB ALA 8 1HB ALA 8 5.250 7.337 5.103 35 2HB ALA 8 2HB ALA 8 4.175 7.907 6.383 36 3HB ALA 8 3HB ALA 8 4.377 8.859 4.911 37 H THR 9 H THR 9 1.613 8.036 2.904 38 HA THR 9 HA THR 9 2.957 6.725 0.678 39 HB THR 9 HB THR 9 1.094 7.568 -0.677 40 HG1 THR 9 HG1 THR 9 0.031 8.595 1.763 41 1HG2 THR 9 1HG2 THR 9 -0.714 6.281 0.397 42 2HG2 THR 9 2HG2 THR 9 0.230 6.220 1.884 43 3HG2 THR 9 3HG2 THR 9 0.822 5.420 0.430 44 H LYS 10 H LYS 10 3.225 8.004 -1.358 45 HA LYS 10 HA LYS 10 4.721 10.411 -0.859 46 1HB LYS 10 2HB LYS 10 5.377 8.791 -2.610 47 2HB LYS 10 1HB LYS 10 3.889 9.136 -3.479 48 1HG LYS 10 2HG LYS 10 4.591 11.375 -3.926 49 2HG LYS 10 1HG LYS 10 5.990 11.201 -2.869 50 1HD LYS 10 2HD LYS 10 6.637 11.027 -5.212 51 2HD LYS 10 1HD LYS 10 6.911 9.502 -4.366 52 1HE LYS 10 2HE LYS 10 4.835 8.611 -5.284 53 2HE LYS 10 1HE LYS 10 4.532 10.140 -6.111 54 1HZ LYS 10 1HZ LYS 10 5.520 8.375 -7.527 55 2HZ LYS 10 2HZ LYS 10 6.929 8.453 -6.583 56 3HZ LYS 10 3HZ LYS 10 6.431 9.808 -7.475 57 H ASP 11 H ASP 11 1.506 9.564 -1.747 58 HA ASP 11 HA ASP 11 0.630 11.972 -2.899 59 1HB ASP 11 2HB ASP 11 -0.745 10.018 -3.082 60 2HB ASP 11 1HB ASP 11 -0.831 9.841 -1.333 61 H GLY 12 H GLY 12 0.832 10.898 0.457 62 1HA GLY 12 2HA GLY 12 1.423 12.757 2.034 63 2HA GLY 12 1HA GLY 12 0.087 13.637 1.300 64 H ARG 13 H ARG 13 -1.307 10.944 1.121 65 HA ARG 13 HA ARG 13 -2.799 11.128 3.532 66 1HB ARG 13 2HB ARG 13 -3.934 9.074 2.660 67 2HB ARG 13 1HB ARG 13 -3.894 10.403 1.510 68 1HG ARG 13 2HG ARG 13 -1.886 9.324 0.474 69 2HG ARG 13 1HG ARG 13 -2.175 7.936 1.521 70 1HD ARG 13 2HD ARG 13 -4.360 7.607 0.517 71 2HD ARG 13 1HD ARG 13 -4.132 9.040 -0.489 72 HE ARG 13 HE ARG 13 -2.012 7.192 -0.872 73 1HH1 ARG 13 1HH1 ARG 13 -5.373 7.747 -1.715 74 2HH1 ARG 13 2HH1 ARG 13 -5.269 6.847 -3.202 75 1HH2 ARG 13 1HH2 ARG 13 -1.879 5.990 -2.782 76 2HH2 ARG 13 2HH2 ARG 13 -3.302 5.799 -3.781 77 H MET 14 H MET 14 -2.688 9.960 5.373 78 HA MET 14 HA MET 14 -0.439 8.089 5.657 79 1HB MET 14 2HB MET 14 -2.124 9.455 7.772 80 2HB MET 14 1HB MET 14 -0.772 8.381 8.093 81 1HG MET 14 2HG MET 14 -0.590 11.014 6.647 82 2HG MET 14 1HG MET 14 -0.197 10.751 8.346 83 1HE MET 14 1HE MET 14 1.201 7.854 8.188 84 2HE MET 14 2HE MET 14 1.812 9.190 9.164 85 3HE MET 14 3HE MET 14 2.894 8.335 8.064 86 H ILE 15 H ILE 15 -1.229 6.162 4.926 87 HA ILE 15 HA ILE 15 -3.956 5.397 5.449 88 HB ILE 15 HB ILE 15 -1.713 3.822 4.170 89 1HG1 ILE 15 2HG1 ILE 15 -4.035 5.344 2.955 90 2HG1 ILE 15 1HG1 ILE 15 -2.349 5.850 2.923 91 1HG2 ILE 15 1HG2 ILE 15 -3.500 2.351 3.327 92 2HG2 ILE 15 2HG2 ILE 15 -4.676 3.250 4.283 93 3HG2 ILE 15 3HG2 ILE 15 -3.403 2.333 5.089 94 1HD1 ILE 15 1HD1 ILE 15 -3.032 4.890 0.800 95 2HD1 ILE 15 2HD1 ILE 15 -3.474 3.387 1.611 96 3HD1 ILE 15 3HD1 ILE 15 -1.789 3.903 1.570 97 H LEU 16 H LEU 16 -4.581 4.621 7.319 98 HA LEU 16 HA LEU 16 -2.821 3.438 9.223 99 1HB LEU 16 2HB LEU 16 -5.847 3.381 9.127 100 2HB LEU 16 1HB LEU 16 -4.863 2.946 10.506 101 HG LEU 16 HG LEU 16 -5.687 5.069 11.009 102 1HD1 LEU 16 1HD1 LEU 16 -2.956 5.526 9.837 103 2HD1 LEU 16 2HD1 LEU 16 -3.306 4.877 11.437 104 3HD1 LEU 16 3HD1 LEU 16 -3.755 6.535 11.042 105 1HD2 LEU 16 1HD2 LEU 16 -5.577 6.995 9.481 106 2HD2 LEU 16 2HD2 LEU 16 -6.585 5.686 8.861 107 3HD2 LEU 16 3HD2 LEU 16 -4.962 5.931 8.215 108 H THR 17 H THR 17 -2.144 1.372 9.260 109 HA THR 17 HA THR 17 -3.606 -0.543 7.569 110 HB THR 17 HB THR 17 -1.325 -1.695 7.346 111 HG1 THR 17 HG1 THR 17 -0.191 0.830 7.831 112 1HG2 THR 17 1HG2 THR 17 -1.644 1.055 6.116 113 2HG2 THR 17 2HG2 THR 17 -2.390 -0.425 5.516 114 3HG2 THR 17 3HG2 THR 17 -0.637 -0.255 5.497 115 H ASP 18 H ASP 18 -3.825 -2.660 8.293 116 HA ASP 18 HA ASP 18 -3.461 -3.223 11.092 117 1HB ASP 18 2HB ASP 18 -5.265 -4.307 9.795 118 2HB ASP 18 1HB ASP 18 -4.066 -5.072 8.760 119 H GLY 19 H GLY 19 -1.865 -3.778 8.072 120 1HA GLY 19 2HA GLY 19 0.661 -3.384 8.596 121 2HA GLY 19 1HA GLY 19 0.479 -4.953 9.378 122 H LYS 20 H LYS 20 2.247 -5.325 7.512 123 HA LYS 20 HA LYS 20 2.492 -7.039 6.042 124 1HB LYS 20 2HB LYS 20 -0.464 -7.223 6.432 125 2HB LYS 20 1HB LYS 20 0.334 -8.194 5.202 126 1HG LYS 20 2HG LYS 20 1.006 -8.195 8.137 127 2HG LYS 20 1HG LYS 20 0.050 -9.419 7.299 128 1HD LYS 20 2HD LYS 20 2.940 -8.731 6.769 129 2HD LYS 20 1HD LYS 20 2.337 -10.184 7.570 130 1HE LYS 20 2HE LYS 20 1.262 -10.917 5.555 131 2HE LYS 20 1HE LYS 20 1.648 -9.399 4.746 132 1HZ LYS 20 1HZ LYS 20 4.028 -9.976 5.044 133 2HZ LYS 20 2HZ LYS 20 3.186 -11.033 4.019 134 3HZ LYS 20 3HZ LYS 20 3.554 -11.504 5.608 135 HA PRO 21 HA PRO 21 1.647 -4.675 2.275 136 1HB PRO 21 2HB PRO 21 4.115 -3.719 1.813 137 2HB PRO 21 1HB PRO 21 2.997 -2.910 2.913 138 1HG PRO 21 2HG PRO 21 5.418 -4.475 3.510 139 2HG PRO 21 1HG PRO 21 4.614 -3.231 4.480 140 1HD PRO 21 2HD PRO 21 4.417 -6.093 4.738 141 2HD PRO 21 1HD PRO 21 3.625 -4.847 5.722 142 H GLU 22 H GLU 22 1.328 -6.700 1.271 143 HA GLU 22 HA GLU 22 3.638 -8.317 0.570 144 1HB GLU 22 2HB GLU 22 1.083 -8.985 1.140 145 2HB GLU 22 1HB GLU 22 0.970 -8.880 -0.610 146 1HG GLU 22 2HG GLU 22 1.421 -11.145 0.023 147 2HG GLU 22 1HG GLU 22 2.832 -10.478 -0.797 148 H ILE 23 H ILE 23 4.859 -7.350 -0.952 149 HA ILE 23 HA ILE 23 3.632 -5.692 -2.983 150 HB ILE 23 HB ILE 23 6.555 -6.323 -2.559 151 1HG1 ILE 23 2HG1 ILE 23 4.925 -3.959 -1.593 152 2HG1 ILE 23 1HG1 ILE 23 5.536 -5.252 -0.579 153 1HG2 ILE 23 1HG2 ILE 23 6.098 -5.512 -4.795 154 2HG2 ILE 23 2HG2 ILE 23 6.931 -4.266 -3.865 155 3HG2 ILE 23 3HG2 ILE 23 5.192 -4.145 -4.143 156 1HD1 ILE 23 1HD1 ILE 23 7.819 -4.592 -1.089 157 2HD1 ILE 23 2HD1 ILE 23 6.902 -3.250 -0.405 158 3HD1 ILE 23 3HD1 ILE 23 7.220 -3.307 -2.137 159 H ASP 24 H ASP 24 3.087 -6.369 -4.927 160 HA ASP 24 HA ASP 24 4.310 -8.800 -6.016 161 1HB ASP 24 2HB ASP 24 1.794 -7.287 -6.658 162 2HB ASP 24 1HB ASP 24 2.500 -8.380 -7.845 163 H ASP 25 H ASP 25 6.086 -8.469 -7.111 164 HA ASP 25 HA ASP 25 6.871 -5.854 -7.939 165 1HB ASP 25 2HB ASP 25 8.424 -7.532 -6.998 166 2HB ASP 25 1HB ASP 25 8.202 -8.523 -8.433 167 H ASP 26 H ASP 26 5.341 -8.505 -9.531 168 HA ASP 26 HA ASP 26 6.289 -8.086 -12.147 169 1HB ASP 26 2HB ASP 26 4.511 -9.505 -12.894 170 2HB ASP 26 1HB ASP 26 5.068 -10.134 -11.347 171 H THR 27 H THR 27 3.536 -6.754 -10.408 172 HA THR 27 HA THR 27 2.928 -5.034 -12.705 173 HB THR 27 HB THR 27 1.003 -6.244 -11.937 174 HG1 THR 27 HG1 THR 27 -0.370 -4.482 -11.362 175 1HG2 THR 27 1HG2 THR 27 0.139 -6.054 -9.645 176 2HG2 THR 27 2HG2 THR 27 1.566 -5.118 -9.197 177 3HG2 THR 27 3HG2 THR 27 1.735 -6.803 -9.692 178 H GLY 28 H GLY 28 4.048 -5.009 -9.408 179 1HA GLY 28 2HA GLY 28 5.232 -3.262 -8.392 180 2HA GLY 28 1HA GLY 28 4.643 -2.169 -9.638 181 H LEU 29 H LEU 29 2.737 -4.363 -7.634 182 HA LEU 29 HA LEU 29 1.439 -1.995 -6.455 183 1HB LEU 29 2HB LEU 29 0.152 -4.658 -7.063 184 2HB LEU 29 1HB LEU 29 -0.644 -3.262 -6.367 185 HG LEU 29 HG LEU 29 0.426 -3.516 -9.177 186 1HD1 LEU 29 1HD1 LEU 29 -1.668 -4.684 -8.809 187 2HD1 LEU 29 2HD1 LEU 29 -1.925 -3.250 -9.804 188 3HD1 LEU 29 3HD1 LEU 29 -2.374 -3.232 -8.098 189 1HD2 LEU 29 1HD2 LEU 29 -0.882 -1.149 -7.843 190 2HD2 LEU 29 2HD2 LEU 29 -0.495 -1.286 -9.559 191 3HD2 LEU 29 3HD2 LEU 29 0.800 -1.256 -8.362 192 H VAL 30 H VAL 30 0.770 -2.158 -4.282 193 HA VAL 30 HA VAL 30 2.131 -4.300 -2.782 194 HB VAL 30 HB VAL 30 1.461 -1.496 -1.863 195 1HG1 VAL 30 1HG1 VAL 30 2.921 -3.712 -0.432 196 2HG1 VAL 30 2HG1 VAL 30 1.307 -3.114 -0.042 197 3HG1 VAL 30 3HG1 VAL 30 2.710 -2.062 0.156 198 1HG2 VAL 30 1HG2 VAL 30 3.965 -1.308 -1.722 199 2HG2 VAL 30 2HG2 VAL 30 3.302 -1.384 -3.356 200 3HG2 VAL 30 3HG2 VAL 30 4.052 -2.812 -2.640 201 H SER 31 H SER 31 0.764 -5.775 -2.067 202 HA SER 31 HA SER 31 -2.010 -5.138 -1.533 203 1HB SER 31 2HB SER 31 -0.523 -7.747 -1.119 204 2HB SER 31 1HB SER 31 -2.272 -7.527 -1.150 205 HG SER 31 HG SER 31 -0.438 -7.593 -3.248 206 H TYR 32 H TYR 32 -2.270 -3.968 0.317 207 HA TYR 32 HA TYR 32 -0.832 -4.906 2.710 208 1HB TYR 32 2HB TYR 32 -1.022 -2.723 3.641 209 2HB TYR 32 1HB TYR 32 -0.479 -2.514 1.983 210 HD1 TYR 32 HD1 TYR 32 -2.172 -1.803 0.242 211 HD2 TYR 32 HD2 TYR 32 -3.006 -1.722 4.411 212 HE1 TYR 32 HE1 TYR 32 -4.021 -0.240 -0.162 213 HE2 TYR 32 HE2 TYR 32 -4.858 -0.161 4.019 214 HH TYR 32 HH TYR 32 -6.231 0.366 1.097 215 H HIS 33 H HIS 33 -2.024 -4.764 4.769 216 HA HIS 33 HA HIS 33 -4.817 -5.547 4.333 217 1HB HIS 33 2HB HIS 33 -2.970 -6.088 6.668 218 2HB HIS 33 1HB HIS 33 -4.670 -6.547 6.620 219 HD1 HIS 33 HD1 HIS 33 -2.685 -8.800 6.955 220 HD2 HIS 33 HD2 HIS 33 -3.923 -7.406 3.232 221 HE1 HIS 33 HE1 HIS 33 -2.239 -10.673 5.338 222 HE2 HIS 33 HE2 HIS 33 -2.817 -9.738 3.072 223 H ASP 34 H ASP 34 -6.262 -4.063 4.674 224 HA ASP 34 HA ASP 34 -5.760 -1.591 5.938 225 1HB ASP 34 2HB ASP 34 -7.870 -2.756 4.429 226 2HB ASP 34 1HB ASP 34 -8.555 -2.046 5.888 227 H GLN 35 H GLN 35 -7.371 -0.704 7.510 228 HA GLN 35 HA GLN 35 -7.048 -1.766 10.062 229 1HB GLN 35 2HB GLN 35 -9.302 0.024 9.125 230 2HB GLN 35 1HB GLN 35 -8.663 -0.103 10.758 231 1HG GLN 35 2HG GLN 35 -7.008 1.327 10.346 232 2HG GLN 35 1HG GLN 35 -6.645 0.606 8.779 233 1HE2 GLN 35 1HE2 GLN 35 -7.613 1.417 6.934 234 2HE2 GLN 35 2HE2 GLN 35 -8.501 2.908 6.921 235 H GLN 36 H GLN 36 -9.438 -2.370 7.619 236 HA GLN 36 HA GLN 36 -11.226 -3.736 9.463 237 1HB GLN 36 2HB GLN 36 -11.539 -3.580 6.469 238 2HB GLN 36 1HB GLN 36 -12.786 -3.829 7.680 239 1HG GLN 36 2HG GLN 36 -11.279 -1.289 7.114 240 2HG GLN 36 1HG GLN 36 -12.983 -1.615 6.805 241 1HE2 GLN 36 1HE2 GLN 36 -11.689 0.474 8.382 242 2HE2 GLN 36 2HE2 GLN 36 -12.345 0.344 9.983 243 H GLY 37 H GLY 37 -8.441 -4.527 7.946 244 1HA GLY 37 2HA GLY 37 -7.460 -6.630 7.745 245 2HA GLY 37 1HA GLY 37 -9.039 -7.364 7.984 246 H ASN 38 H ASN 38 -8.884 -4.866 5.664 247 HA ASN 38 HA ASN 38 -9.576 -6.717 3.567 248 1HB ASN 38 2HB ASN 38 -9.296 -3.707 3.589 249 2HB ASN 38 1HB ASN 38 -9.783 -4.634 2.175 250 1HD2 ASN 38 1HD2 ASN 38 -11.236 -2.586 3.639 251 2HD2 ASN 38 2HD2 ASN 38 -12.716 -3.337 4.151 252 H ALA 39 H ALA 39 -8.321 -7.447 1.980 253 HA ALA 39 HA ALA 39 -5.538 -6.516 1.894 254 1HB ALA 39 1HB ALA 39 -6.793 -8.983 0.693 255 2HB ALA 39 2HB ALA 39 -5.877 -8.916 2.200 256 3HB ALA 39 3HB ALA 39 -5.078 -8.575 0.665 257 H MET 40 H MET 40 -5.351 -4.821 0.550 258 HA MET 40 HA MET 40 -6.414 -5.145 -2.174 259 1HB MET 40 2HB MET 40 -7.127 -2.868 -2.292 260 2HB MET 40 1HB MET 40 -7.833 -3.555 -0.835 261 1HG MET 40 2HG MET 40 -6.179 -2.472 0.532 262 2HG MET 40 1HG MET 40 -5.340 -1.877 -0.897 263 1HE MET 40 1HE MET 40 -9.169 -2.067 -0.006 264 2HE MET 40 2HE MET 40 -9.461 -0.421 0.553 265 3HE MET 40 3HE MET 40 -8.404 -1.491 1.476 266 H GLN 41 H GLN 41 -5.333 -3.605 -3.719 267 HA GLN 41 HA GLN 41 -2.460 -3.560 -3.067 268 1HB GLN 41 2HB GLN 41 -3.772 -3.815 -5.778 269 2HB GLN 41 1HB GLN 41 -2.047 -3.895 -5.447 270 1HG GLN 41 2HG GLN 41 -2.319 -5.952 -4.243 271 2HG GLN 41 1HG GLN 41 -4.074 -5.848 -4.386 272 1HE2 GLN 41 1HE2 GLN 41 -5.047 -6.260 -6.362 273 2HE2 GLN 41 2HE2 GLN 41 -4.227 -7.069 -7.656 274 H ILE 42 H ILE 42 -1.582 -1.572 -2.917 275 HA ILE 42 HA ILE 42 -2.747 0.569 -4.569 276 HB ILE 42 HB ILE 42 -1.661 2.197 -3.247 277 1HG1 ILE 42 2HG1 ILE 42 -0.265 0.171 -1.524 278 2HG1 ILE 42 1HG1 ILE 42 0.473 0.703 -3.034 279 1HG2 ILE 42 1HG2 ILE 42 -3.635 1.326 -2.194 280 2HG2 ILE 42 2HG2 ILE 42 -2.438 1.724 -0.959 281 3HG2 ILE 42 3HG2 ILE 42 -2.700 0.044 -1.424 282 1HD1 ILE 42 1HD1 ILE 42 1.246 1.957 -1.059 283 2HD1 ILE 42 2HD1 ILE 42 -0.397 2.548 -0.825 284 3HD1 ILE 42 3HD1 ILE 42 0.496 2.974 -2.287 285 H ASN 43 H ASN 43 -0.855 2.172 -5.255 286 HA ASN 43 HA ASN 43 0.792 0.582 -7.021 287 1HB ASN 43 2HB ASN 43 -0.461 2.684 -7.689 288 2HB ASN 43 1HB ASN 43 0.726 3.588 -6.761 289 1HD2 ASN 43 1HD2 ASN 43 1.383 4.669 -8.626 290 2HD2 ASN 43 2HD2 ASN 43 2.383 3.897 -9.819 291 H ARG 44 H ARG 44 2.973 0.293 -6.885 292 HA ARG 44 HA ARG 44 4.299 0.656 -4.426 293 1HB ARG 44 2HB ARG 44 4.945 -1.040 -6.129 294 2HB ARG 44 1HB ARG 44 5.552 0.256 -7.153 295 1HG ARG 44 2HG ARG 44 7.045 0.860 -5.155 296 2HG ARG 44 1HG ARG 44 6.641 -0.747 -4.552 297 1HD ARG 44 2HD ARG 44 8.747 -0.752 -5.807 298 2HD ARG 44 1HD ARG 44 7.520 -1.750 -6.586 299 HE ARG 44 HE ARG 44 7.657 -0.410 -8.416 300 1HH1 ARG 44 1HH1 ARG 44 8.945 1.353 -5.668 301 2HH1 ARG 44 2HH1 ARG 44 9.373 2.758 -6.604 302 1HH2 ARG 44 1HH2 ARG 44 8.235 1.439 -9.652 303 2HH2 ARG 44 2HH2 ARG 44 8.972 2.803 -8.864 304 H ASP 45 H ASP 45 4.122 2.608 -7.315 305 HA ASP 45 HA ASP 45 6.228 4.387 -6.789 306 1HB ASP 45 2HB ASP 45 4.985 4.129 -8.959 307 2HB ASP 45 1HB ASP 45 3.657 5.032 -8.241 308 H ASP 46 H ASP 46 3.023 4.155 -5.494 309 HA ASP 46 HA ASP 46 3.007 6.847 -4.437 310 1HB ASP 46 2HB ASP 46 0.919 5.747 -5.193 311 2HB ASP 46 1HB ASP 46 1.106 4.551 -3.914 312 H VAL 47 H VAL 47 4.044 3.733 -3.442 313 HA VAL 47 HA VAL 47 3.862 4.084 -0.623 314 HB VAL 47 HB VAL 47 5.838 2.313 -2.068 315 1HG1 VAL 47 1HG1 VAL 47 6.198 2.530 0.331 316 2HG1 VAL 47 2HG1 VAL 47 5.632 0.906 -0.073 317 3HG1 VAL 47 3HG1 VAL 47 4.518 2.079 0.632 318 1HG2 VAL 47 1HG2 VAL 47 2.990 1.662 -1.343 319 2HG2 VAL 47 2HG2 VAL 47 4.171 0.545 -2.023 320 3HG2 VAL 47 3HG2 VAL 47 3.602 1.916 -2.977 321 H SER 48 H SER 48 4.933 5.629 0.439 322 HA SER 48 HA SER 48 7.521 6.512 -0.601 323 1HB SER 48 2HB SER 48 5.843 8.266 -0.265 324 2HB SER 48 1HB SER 48 5.688 7.816 1.433 325 HG SER 48 HG SER 48 8.235 8.452 0.441 326 H GLN 49 H GLN 49 6.063 6.059 2.645 327 HA GLN 49 HA GLN 49 8.422 4.523 3.437 328 1HB GLN 49 2HB GLN 49 7.414 6.876 5.055 329 2HB GLN 49 1HB GLN 49 8.721 5.791 5.505 330 1HG GLN 49 2HG GLN 49 9.930 6.584 3.439 331 2HG GLN 49 1HG GLN 49 8.689 7.828 3.295 332 1HE2 GLN 49 1HE2 GLN 49 10.058 9.530 3.618 333 2HE2 GLN 49 2HE2 GLN 49 10.816 9.853 5.142 334 H ILE 50 H ILE 50 7.994 3.838 5.888 335 HA ILE 50 HA ILE 50 5.175 2.979 6.026 336 HB ILE 50 HB ILE 50 7.559 1.622 7.310 337 1HG1 ILE 50 2HG1 ILE 50 7.644 1.419 4.859 338 2HG1 ILE 50 1HG1 ILE 50 7.295 -0.129 5.619 339 1HG2 ILE 50 1HG2 ILE 50 5.488 1.275 8.529 340 2HG2 ILE 50 2HG2 ILE 50 5.986 -0.217 7.729 341 3HG2 ILE 50 3HG2 ILE 50 4.682 0.759 7.048 342 1HD1 ILE 50 1HD1 ILE 50 4.930 0.140 5.061 343 2HD1 ILE 50 2HD1 ILE 50 5.958 0.186 3.628 344 3HD1 ILE 50 3HD1 ILE 50 5.293 1.683 4.284 345 H ILE 51 H ILE 51 7.784 3.059 8.417 346 HA ILE 51 HA ILE 51 6.064 4.694 10.159 347 HB ILE 51 HB ILE 51 6.414 2.376 10.976 348 1HG1 ILE 51 2HG1 ILE 51 7.836 4.437 12.667 349 2HG1 ILE 51 1HG1 ILE 51 6.089 4.246 12.566 350 1HG2 ILE 51 1HG2 ILE 51 8.569 1.889 10.034 351 2HG2 ILE 51 2HG2 ILE 51 8.657 1.717 11.787 352 3HG2 ILE 51 3HG2 ILE 51 9.323 3.150 11.009 353 1HD1 ILE 51 1HD1 ILE 51 6.976 3.219 14.577 354 2HD1 ILE 51 2HD1 ILE 51 8.037 2.199 13.603 355 3HD1 ILE 51 3HD1 ILE 51 6.285 2.002 13.502 356 H GLU 52 H GLU 52 7.200 6.218 11.559 357 HA GLU 52 HA GLU 52 9.212 7.643 10.157 358 1HB GLU 52 2HB GLU 52 9.306 9.065 12.216 359 2HB GLU 52 1HB GLU 52 7.702 8.886 11.528 360 1HG GLU 52 2HG GLU 52 8.456 6.982 13.655 361 2HG GLU 52 1HG GLU 52 8.211 8.661 14.132 362 H ARG 53 H ARG 53 11.327 8.197 10.937 363 HA ARG 53 HA ARG 53 12.787 5.880 11.798 364 1HB ARG 53 2HB ARG 53 13.665 8.699 11.147 365 2HB ARG 53 1HB ARG 53 14.769 7.390 11.540 366 1HG ARG 53 2HG ARG 53 12.843 7.324 9.232 367 2HG ARG 53 1HG ARG 53 14.520 7.852 9.108 368 1HD ARG 53 2HD ARG 53 15.272 5.653 9.862 369 2HD ARG 53 1HD ARG 53 13.595 5.125 10.017 370 HE ARG 53 HE ARG 53 13.677 5.878 7.450 371 1HH1 ARG 53 1HH1 ARG 53 15.907 3.882 9.301 372 2HH1 ARG 53 2HH1 ARG 53 16.363 2.919 7.928 373 1HH2 ARG 53 1HH2 ARG 53 14.269 4.602 5.673 374 2HH2 ARG 53 2HH2 ARG 53 15.416 3.311 5.868 Start of MODEL 7 1 H ASP 4 H ASP 4 4.146 0.700 17.002 2 HA ASP 4 HA ASP 4 1.511 0.587 15.953 3 1HB ASP 4 2HB ASP 4 3.629 2.735 15.703 4 2HB ASP 4 1HB ASP 4 1.930 2.932 15.287 5 H TYR 5 H TYR 5 0.816 0.762 13.838 6 HA TYR 5 HA TYR 5 2.840 0.378 11.753 7 1HB TYR 5 2HB TYR 5 0.225 -1.116 12.012 8 2HB TYR 5 1HB TYR 5 1.291 -1.194 10.615 9 HD1 TYR 5 HD1 TYR 5 3.860 -1.728 11.378 10 HD2 TYR 5 HD2 TYR 5 0.331 -2.925 13.429 11 HE1 TYR 5 HE1 TYR 5 5.097 -3.587 12.404 12 HE2 TYR 5 HE2 TYR 5 1.559 -4.787 14.460 13 HH TYR 5 HH TYR 5 4.964 -5.032 14.338 14 H VAL 6 H VAL 6 2.424 1.382 9.825 15 HA VAL 6 HA VAL 6 0.000 2.502 9.013 16 HB VAL 6 HB VAL 6 0.281 4.031 10.912 17 1HG1 VAL 6 1HG1 VAL 6 2.685 4.022 11.161 18 2HG1 VAL 6 2HG1 VAL 6 2.121 5.678 10.934 19 3HG1 VAL 6 3HG1 VAL 6 2.880 4.812 9.598 20 1HG2 VAL 6 1HG2 VAL 6 0.703 5.363 8.242 21 2HG2 VAL 6 2HG2 VAL 6 0.082 6.150 9.692 22 3HG2 VAL 6 3HG2 VAL 6 -0.840 4.856 8.926 23 H MET 7 H MET 7 0.152 2.966 6.899 24 HA MET 7 HA MET 7 2.859 3.031 5.754 25 1HB MET 7 2HB MET 7 1.326 1.113 5.167 26 2HB MET 7 1HB MET 7 0.282 2.278 4.367 27 1HG MET 7 2HG MET 7 3.164 2.026 3.614 28 2HG MET 7 1HG MET 7 1.954 0.922 2.968 29 1HE MET 7 1HE MET 7 -0.425 3.325 1.036 30 2HE MET 7 2HE MET 7 -0.583 2.784 2.707 31 3HE MET 7 3HE MET 7 -0.062 1.651 1.460 32 H ALA 8 H ALA 8 3.465 5.025 5.300 33 HA ALA 8 HA ALA 8 1.482 7.030 4.562 34 1HB ALA 8 1HB ALA 8 4.441 7.341 5.067 35 2HB ALA 8 2HB ALA 8 3.156 7.633 6.240 36 3HB ALA 8 3HB ALA 8 3.288 8.649 4.804 37 H THR 9 H THR 9 1.208 7.769 2.558 38 HA THR 9 HA THR 9 2.644 6.347 0.464 39 HB THR 9 HB THR 9 0.863 7.335 -1.014 40 HG1 THR 9 HG1 THR 9 -0.474 7.976 1.403 41 1HG2 THR 9 1HG2 THR 9 0.666 5.066 -0.130 42 2HG2 THR 9 2HG2 THR 9 -0.912 5.851 -0.192 43 3HG2 THR 9 3HG2 THR 9 -0.065 5.698 1.347 44 H LYS 10 H LYS 10 2.677 7.680 -1.634 45 HA LYS 10 HA LYS 10 4.701 9.561 -1.617 46 1HB LYS 10 2HB LYS 10 4.097 8.289 -3.558 47 2HB LYS 10 1HB LYS 10 2.484 8.976 -3.572 48 1HG LYS 10 2HG LYS 10 3.341 11.110 -4.257 49 2HG LYS 10 1HG LYS 10 5.004 10.537 -4.083 50 1HD LYS 10 2HD LYS 10 4.182 10.522 -6.436 51 2HD LYS 10 1HD LYS 10 4.699 8.936 -5.854 52 1HE LYS 10 2HE LYS 10 2.332 8.419 -5.324 53 2HE LYS 10 1HE LYS 10 1.867 9.956 -6.049 54 1HZ LYS 10 1HZ LYS 10 3.265 7.760 -7.483 55 2HZ LYS 10 2HZ LYS 10 2.699 9.206 -8.157 56 3HZ LYS 10 3HZ LYS 10 1.602 8.065 -7.555 57 H ASP 11 H ASP 11 1.194 10.054 -1.668 58 HA ASP 11 HA ASP 11 1.221 12.829 -2.149 59 1HB ASP 11 2HB ASP 11 -0.895 11.299 -0.631 60 2HB ASP 11 1HB ASP 11 -1.103 12.814 -1.500 61 H GLY 12 H GLY 12 1.609 10.948 0.747 62 1HA GLY 12 2HA GLY 12 2.666 11.991 2.671 63 2HA GLY 12 1HA GLY 12 1.751 13.450 2.306 64 H ARG 13 H ARG 13 -0.481 11.373 1.649 65 HA ARG 13 HA ARG 13 -1.819 11.528 4.158 66 1HB ARG 13 2HB ARG 13 -3.518 10.052 3.014 67 2HB ARG 13 1HB ARG 13 -3.170 11.568 2.190 68 1HG ARG 13 2HG ARG 13 -1.641 10.362 0.692 69 2HG ARG 13 1HG ARG 13 -2.086 8.855 1.482 70 1HD ARG 13 2HD ARG 13 -4.307 8.985 0.693 71 2HD ARG 13 1HD ARG 13 -4.105 10.660 0.180 72 HE ARG 13 HE ARG 13 -2.278 9.465 -1.341 73 1HH1 ARG 13 1HH1 ARG 13 -5.606 8.544 -0.680 74 2HH1 ARG 13 2HH1 ARG 13 -5.803 7.747 -2.211 75 1HH2 ARG 13 1HH2 ARG 13 -2.554 8.464 -3.336 76 2HH2 ARG 13 2HH2 ARG 13 -4.073 7.699 -3.728 77 H MET 14 H MET 14 -1.961 10.084 5.750 78 HA MET 14 HA MET 14 -0.201 7.749 5.570 79 1HB MET 14 2HB MET 14 -1.402 9.103 7.995 80 2HB MET 14 1HB MET 14 -0.259 7.765 8.033 81 1HG MET 14 2HG MET 14 1.431 9.155 6.983 82 2HG MET 14 1HG MET 14 0.290 10.493 6.886 83 1HE MET 14 1HE MET 14 2.042 8.813 10.809 84 2HE MET 14 2HE MET 14 2.511 8.269 9.199 85 3HE MET 14 3HE MET 14 0.898 7.907 9.815 86 H ILE 15 H ILE 15 -1.076 5.834 5.241 87 HA ILE 15 HA ILE 15 -3.940 5.485 5.737 88 HB ILE 15 HB ILE 15 -2.000 3.863 4.084 89 1HG1 ILE 15 2HG1 ILE 15 -4.312 5.657 3.310 90 2HG1 ILE 15 1HG1 ILE 15 -2.605 6.041 3.124 91 1HG2 ILE 15 1HG2 ILE 15 -3.931 2.573 3.332 92 2HG2 ILE 15 2HG2 ILE 15 -4.968 3.465 4.445 93 3HG2 ILE 15 3HG2 ILE 15 -3.698 2.412 5.073 94 1HD1 ILE 15 1HD1 ILE 15 -2.379 4.193 1.534 95 2HD1 ILE 15 2HD1 ILE 15 -3.571 5.385 1.013 96 3HD1 ILE 15 3HD1 ILE 15 -4.102 3.851 1.706 97 H LEU 16 H LEU 16 -4.662 4.271 7.349 98 HA LEU 16 HA LEU 16 -2.813 3.091 9.193 99 1HB LEU 16 2HB LEU 16 -5.810 3.302 9.087 100 2HB LEU 16 1HB LEU 16 -5.016 2.312 10.295 101 HG LEU 16 HG LEU 16 -5.546 4.419 11.287 102 1HD1 LEU 16 1HD1 LEU 16 -2.603 4.305 10.649 103 2HD1 LEU 16 2HD1 LEU 16 -3.425 3.439 11.946 104 3HD1 LEU 16 3HD1 LEU 16 -3.339 5.200 11.981 105 1HD2 LEU 16 1HD2 LEU 16 -5.769 5.759 9.266 106 2HD2 LEU 16 2HD2 LEU 16 -4.021 5.718 9.035 107 3HD2 LEU 16 3HD2 LEU 16 -4.707 6.545 10.434 108 H THR 17 H THR 17 -1.954 1.195 8.962 109 HA THR 17 HA THR 17 -3.464 -0.972 7.675 110 HB THR 17 HB THR 17 -1.052 -1.683 6.893 111 HG1 THR 17 HG1 THR 17 0.362 -0.233 7.560 112 1HG2 THR 17 1HG2 THR 17 -2.847 -1.088 5.339 113 2HG2 THR 17 2HG2 THR 17 -1.316 -0.395 4.804 114 3HG2 THR 17 3HG2 THR 17 -2.519 0.626 5.591 115 H ASP 18 H ASP 18 -3.018 -3.103 8.533 116 HA ASP 18 HA ASP 18 -1.333 -3.179 10.898 117 1HB ASP 18 2HB ASP 18 -1.774 -5.614 10.959 118 2HB ASP 18 1HB ASP 18 -3.259 -4.678 10.943 119 H GLY 19 H GLY 19 0.700 -4.317 10.931 120 1HA GLY 19 2HA GLY 19 2.167 -3.003 8.919 121 2HA GLY 19 1HA GLY 19 2.846 -4.068 10.136 122 H LYS 20 H LYS 20 3.625 -3.773 7.294 123 HA LYS 20 HA LYS 20 4.764 -5.431 6.157 124 1HB LYS 20 2HB LYS 20 2.879 -7.383 7.448 125 2HB LYS 20 1HB LYS 20 4.005 -7.833 6.179 126 1HG LYS 20 2HG LYS 20 5.851 -6.980 7.627 127 2HG LYS 20 1HG LYS 20 4.662 -6.780 8.917 128 1HD LYS 20 2HD LYS 20 5.310 -9.366 7.503 129 2HD LYS 20 1HD LYS 20 5.869 -8.909 9.113 130 1HE LYS 20 2HE LYS 20 3.635 -8.934 9.969 131 2HE LYS 20 1HE LYS 20 2.961 -9.123 8.351 132 1HZ LYS 20 1HZ LYS 20 3.847 -11.309 8.202 133 2HZ LYS 20 2HZ LYS 20 3.035 -11.201 9.687 134 3HZ LYS 20 3HZ LYS 20 4.731 -11.129 9.638 135 HA PRO 21 HA PRO 21 1.583 -4.842 2.952 136 1HB PRO 21 2HB PRO 21 3.081 -3.237 1.388 137 2HB PRO 21 1HB PRO 21 2.117 -2.607 2.730 138 1HG PRO 21 2HG PRO 21 5.049 -3.177 2.606 139 2HG PRO 21 1HG PRO 21 4.204 -1.801 3.340 140 1HD PRO 21 2HD PRO 21 5.136 -3.940 4.763 141 2HD PRO 21 1HD PRO 21 3.755 -2.947 5.269 142 H GLU 22 H GLU 22 1.503 -6.330 1.394 143 HA GLU 22 HA GLU 22 3.919 -7.826 0.767 144 1HB GLU 22 2HB GLU 22 1.344 -8.616 1.193 145 2HB GLU 22 1HB GLU 22 1.376 -8.543 -0.564 146 1HG GLU 22 2HG GLU 22 3.217 -10.152 1.192 147 2HG GLU 22 1HG GLU 22 1.885 -10.773 0.221 148 H ILE 23 H ILE 23 5.161 -7.018 -0.784 149 HA ILE 23 HA ILE 23 3.992 -5.279 -2.794 150 HB ILE 23 HB ILE 23 6.889 -5.979 -2.293 151 1HG1 ILE 23 2HG1 ILE 23 5.272 -3.534 -1.536 152 2HG1 ILE 23 1HG1 ILE 23 5.859 -4.757 -0.422 153 1HG2 ILE 23 1HG2 ILE 23 6.489 -5.294 -4.602 154 2HG2 ILE 23 2HG2 ILE 23 7.382 -4.054 -3.722 155 3HG2 ILE 23 3HG2 ILE 23 5.660 -3.844 -4.035 156 1HD1 ILE 23 1HD1 ILE 23 7.571 -2.915 -2.072 157 2HD1 ILE 23 2HD1 ILE 23 8.158 -4.143 -0.952 158 3HD1 ILE 23 3HD1 ILE 23 7.239 -2.765 -0.348 159 H ASP 24 H ASP 24 3.536 -5.843 -4.780 160 HA ASP 24 HA ASP 24 4.309 -8.488 -5.748 161 1HB ASP 24 2HB ASP 24 1.933 -7.790 -5.896 162 2HB ASP 24 1HB ASP 24 2.408 -6.450 -6.933 163 H ASP 25 H ASP 25 6.123 -8.635 -6.872 164 HA ASP 25 HA ASP 25 7.301 -6.244 -8.024 165 1HB ASP 25 2HB ASP 25 8.324 -9.037 -7.560 166 2HB ASP 25 1HB ASP 25 9.222 -7.872 -8.525 167 H ASP 26 H ASP 26 5.036 -8.187 -9.192 168 HA ASP 26 HA ASP 26 6.234 -8.546 -11.842 169 1HB ASP 26 2HB ASP 26 3.555 -9.438 -10.754 170 2HB ASP 26 1HB ASP 26 4.108 -9.726 -12.401 171 H THR 27 H THR 27 3.329 -7.118 -10.379 172 HA THR 27 HA THR 27 2.989 -5.475 -12.782 173 HB THR 27 HB THR 27 0.996 -6.642 -12.061 174 HG1 THR 27 HG1 THR 27 0.314 -4.786 -12.888 175 1HG2 THR 27 1HG2 THR 27 1.489 -6.927 -9.704 176 2HG2 THR 27 2HG2 THR 27 -0.085 -6.157 -9.914 177 3HG2 THR 27 3HG2 THR 27 1.313 -5.192 -9.442 178 H GLY 28 H GLY 28 4.146 -5.288 -9.566 179 1HA GLY 28 2HA GLY 28 5.350 -3.497 -8.671 180 2HA GLY 28 1HA GLY 28 4.725 -2.467 -9.951 181 H LEU 29 H LEU 29 2.737 -4.473 -7.867 182 HA LEU 29 HA LEU 29 1.534 -2.005 -6.813 183 1HB LEU 29 2HB LEU 29 0.354 -4.781 -6.959 184 2HB LEU 29 1HB LEU 29 -0.456 -3.361 -6.328 185 HG LEU 29 HG LEU 29 0.320 -3.901 -9.189 186 1HD1 LEU 29 1HD1 LEU 29 -2.347 -3.464 -7.860 187 2HD1 LEU 29 2HD1 LEU 29 -1.708 -5.007 -8.425 188 3HD1 LEU 29 3HD1 LEU 29 -2.079 -3.730 -9.583 189 1HD2 LEU 29 1HD2 LEU 29 0.754 -1.554 -8.642 190 2HD2 LEU 29 2HD2 LEU 29 -0.897 -1.396 -8.039 191 3HD2 LEU 29 3HD2 LEU 29 -0.607 -1.737 -9.746 192 H VAL 30 H VAL 30 0.705 -2.121 -4.585 193 HA VAL 30 HA VAL 30 2.359 -3.856 -2.863 194 HB VAL 30 HB VAL 30 1.503 -1.014 -2.272 195 1HG1 VAL 30 1HG1 VAL 30 3.252 -2.915 -0.719 196 2HG1 VAL 30 2HG1 VAL 30 1.632 -2.384 -0.269 197 3HG1 VAL 30 3HG1 VAL 30 2.960 -1.224 -0.311 198 1HG2 VAL 30 1HG2 VAL 30 4.234 -2.111 -2.944 199 2HG2 VAL 30 2HG2 VAL 30 3.883 -0.456 -2.445 200 3HG2 VAL 30 3HG2 VAL 30 3.249 -1.070 -3.973 201 H SER 31 H SER 31 1.063 -5.296 -1.940 202 HA SER 31 HA SER 31 -1.751 -4.757 -1.565 203 1HB SER 31 2HB SER 31 -0.189 -7.214 -0.749 204 2HB SER 31 1HB SER 31 -1.931 -7.084 -0.992 205 HG SER 31 HG SER 31 -0.073 -7.712 -2.777 206 H TYR 32 H TYR 32 -2.120 -3.381 0.067 207 HA TYR 32 HA TYR 32 -0.780 -3.816 2.637 208 1HB TYR 32 2HB TYR 32 -1.532 -1.619 3.276 209 2HB TYR 32 1HB TYR 32 -0.830 -1.504 1.669 210 HD1 TYR 32 HD1 TYR 32 -2.514 -1.599 -0.325 211 HD2 TYR 32 HD2 TYR 32 -3.632 -0.708 3.679 212 HE1 TYR 32 HE1 TYR 32 -4.557 -0.501 -1.143 213 HE2 TYR 32 HE2 TYR 32 -5.673 0.389 2.870 214 HH TYR 32 HH TYR 32 -6.767 0.109 -0.345 215 H HIS 33 H HIS 33 -2.439 -3.185 4.538 216 HA HIS 33 HA HIS 33 -4.825 -4.843 4.069 217 1HB HIS 33 2HB HIS 33 -3.006 -4.830 6.477 218 2HB HIS 33 1HB HIS 33 -4.589 -5.590 6.454 219 HD1 HIS 33 HD1 HIS 33 -1.535 -6.818 6.700 220 HD2 HIS 33 HD2 HIS 33 -4.317 -7.231 3.637 221 HE1 HIS 33 HE1 HIS 33 -0.912 -8.940 5.496 222 HE2 HIS 33 HE2 HIS 33 -2.788 -9.306 3.847 223 H ASP 34 H ASP 34 -6.680 -3.968 4.611 224 HA ASP 34 HA ASP 34 -7.006 -1.508 5.992 225 1HB ASP 34 2HB ASP 34 -8.709 -3.565 4.828 226 2HB ASP 34 1HB ASP 34 -9.348 -3.011 6.367 227 H GLN 35 H GLN 35 -7.655 -1.158 8.178 228 HA GLN 35 HA GLN 35 -6.971 -3.207 10.079 229 1HB GLN 35 2HB GLN 35 -8.503 -0.630 10.519 230 2HB GLN 35 1HB GLN 35 -7.820 -1.649 11.777 231 1HG GLN 35 2HG GLN 35 -5.567 -1.221 10.717 232 2HG GLN 35 1HG GLN 35 -6.367 0.018 9.751 233 1HE2 GLN 35 1HE2 GLN 35 -5.268 -0.904 12.898 234 2HE2 GLN 35 2HE2 GLN 35 -5.484 0.642 13.650 235 H GLN 36 H GLN 36 -9.499 -2.607 8.081 236 HA GLN 36 HA GLN 36 -11.631 -3.772 9.626 237 1HB GLN 36 2HB GLN 36 -12.006 -2.024 7.913 238 2HB GLN 36 1HB GLN 36 -11.408 -3.117 6.679 239 1HG GLN 36 2HG GLN 36 -13.284 -4.592 7.015 240 2HG GLN 36 1HG GLN 36 -13.861 -3.600 8.353 241 1HE2 GLN 36 1HE2 GLN 36 -12.473 -2.173 5.505 242 2HE2 GLN 36 2HE2 GLN 36 -13.943 -1.513 4.867 243 H GLY 37 H GLY 37 -8.960 -4.933 7.942 244 1HA GLY 37 2HA GLY 37 -8.355 -7.203 7.809 245 2HA GLY 37 1HA GLY 37 -10.047 -7.643 7.981 246 H ASN 38 H ASN 38 -8.888 -5.272 5.676 247 HA ASN 38 HA ASN 38 -9.648 -7.124 3.512 248 1HB ASN 38 2HB ASN 38 -9.911 -4.137 3.741 249 2HB ASN 38 1HB ASN 38 -9.958 -4.948 2.179 250 1HD2 ASN 38 1HD2 ASN 38 -11.992 -3.431 3.697 251 2HD2 ASN 38 2HD2 ASN 38 -13.358 -4.493 3.809 252 H ALA 39 H ALA 39 -8.125 -7.740 2.132 253 HA ALA 39 HA ALA 39 -5.565 -6.346 2.088 254 1HB ALA 39 1HB ALA 39 -5.587 -8.798 2.148 255 2HB ALA 39 2HB ALA 39 -4.802 -8.191 0.691 256 3HB ALA 39 3HB ALA 39 -6.445 -8.826 0.607 257 H MET 40 H MET 40 -5.139 -4.790 0.669 258 HA MET 40 HA MET 40 -6.497 -4.806 -1.933 259 1HB MET 40 2HB MET 40 -6.341 -2.468 -0.024 260 2HB MET 40 1HB MET 40 -6.747 -2.300 -1.727 261 1HG MET 40 2HG MET 40 -8.710 -3.662 -1.431 262 2HG MET 40 1HG MET 40 -8.282 -3.963 0.253 263 1HE MET 40 1HE MET 40 -8.628 -2.324 2.193 264 2HE MET 40 2HE MET 40 -8.887 -0.590 1.991 265 3HE MET 40 3HE MET 40 -7.375 -1.325 1.457 266 H GLN 41 H GLN 41 -5.377 -3.438 -3.544 267 HA GLN 41 HA GLN 41 -2.491 -3.338 -2.917 268 1HB GLN 41 2HB GLN 41 -3.707 -3.952 -5.611 269 2HB GLN 41 1HB GLN 41 -2.008 -4.029 -5.175 270 1HG GLN 41 2HG GLN 41 -2.555 -5.872 -3.602 271 2HG GLN 41 1HG GLN 41 -4.210 -5.840 -4.213 272 1HE2 GLN 41 1HE2 GLN 41 -0.931 -6.726 -4.863 273 2HE2 GLN 41 2HE2 GLN 41 -1.236 -7.611 -6.325 274 H ILE 42 H ILE 42 -1.630 -1.359 -3.064 275 HA ILE 42 HA ILE 42 -2.815 0.535 -4.983 276 HB ILE 42 HB ILE 42 -1.796 2.333 -3.852 277 1HG1 ILE 42 2HG1 ILE 42 -0.296 0.576 -1.933 278 2HG1 ILE 42 1HG1 ILE 42 0.390 0.948 -3.512 279 1HG2 ILE 42 1HG2 ILE 42 -2.667 0.407 -1.704 280 2HG2 ILE 42 2HG2 ILE 42 -3.730 1.432 -2.671 281 3HG2 ILE 42 3HG2 ILE 42 -2.577 2.163 -1.554 282 1HD1 ILE 42 1HD1 ILE 42 -0.538 3.045 -1.574 283 2HD1 ILE 42 2HD1 ILE 42 0.405 3.268 -3.052 284 3HD1 ILE 42 3HD1 ILE 42 1.118 2.450 -1.662 285 H ASN 43 H ASN 43 -0.840 2.047 -5.834 286 HA ASN 43 HA ASN 43 0.911 0.227 -7.242 287 1HB ASN 43 2HB ASN 43 0.791 3.249 -7.261 288 2HB ASN 43 1HB ASN 43 1.800 2.277 -8.316 289 1HD2 ASN 43 1HD2 ASN 43 -1.241 3.641 -7.784 290 2HD2 ASN 43 2HD2 ASN 43 -2.052 2.985 -9.170 291 H ARG 44 H ARG 44 3.131 -0.003 -6.972 292 HA ARG 44 HA ARG 44 4.295 0.831 -4.494 293 1HB ARG 44 2HB ARG 44 4.984 -1.228 -5.759 294 2HB ARG 44 1HB ARG 44 5.720 -0.185 -6.968 295 1HG ARG 44 2HG ARG 44 7.338 0.604 -5.436 296 2HG ARG 44 1HG ARG 44 6.491 -0.112 -4.067 297 1HD ARG 44 2HD ARG 44 8.434 -1.435 -4.634 298 2HD ARG 44 1HD ARG 44 6.963 -2.347 -4.964 299 HE ARG 44 HE ARG 44 7.911 -0.950 -7.276 300 1HH1 ARG 44 1HH1 ARG 44 8.376 -3.813 -5.317 301 2HH1 ARG 44 2HH1 ARG 44 9.085 -4.752 -6.595 302 1HH2 ARG 44 1HH2 ARG 44 8.851 -2.173 -8.977 303 2HH2 ARG 44 2HH2 ARG 44 9.347 -3.818 -8.682 304 H ASP 45 H ASP 45 3.694 2.277 -7.423 305 HA ASP 45 HA ASP 45 5.699 4.302 -7.438 306 1HB ASP 45 2HB ASP 45 4.397 3.631 -9.432 307 2HB ASP 45 1HB ASP 45 2.929 4.218 -8.667 308 H ASP 46 H ASP 46 2.855 3.708 -5.615 309 HA ASP 46 HA ASP 46 2.509 6.546 -4.975 310 1HB ASP 46 2HB ASP 46 0.658 4.193 -4.589 311 2HB ASP 46 1HB ASP 46 0.334 5.797 -3.943 312 H VAL 47 H VAL 47 3.818 3.701 -3.595 313 HA VAL 47 HA VAL 47 3.390 4.530 -0.862 314 HB VAL 47 HB VAL 47 5.140 2.809 -0.289 315 1HG1 VAL 47 1HG1 VAL 47 2.733 2.300 -0.264 316 2HG1 VAL 47 2HG1 VAL 47 3.713 0.901 -0.702 317 3HG1 VAL 47 3HG1 VAL 47 2.843 1.791 -1.951 318 1HG2 VAL 47 1HG2 VAL 47 4.951 2.158 -3.222 319 2HG2 VAL 47 2HG2 VAL 47 5.819 1.229 -1.999 320 3HG2 VAL 47 3HG2 VAL 47 6.350 2.860 -2.412 321 H SER 48 H SER 48 5.195 5.083 0.602 322 HA SER 48 HA SER 48 7.512 6.286 -0.649 323 1HB SER 48 2HB SER 48 5.838 8.033 -0.929 324 2HB SER 48 1HB SER 48 5.436 7.954 0.784 325 HG SER 48 HG SER 48 8.029 8.606 -0.188 326 H GLN 49 H GLN 49 5.677 6.413 2.432 327 HA GLN 49 HA GLN 49 8.255 6.053 3.813 328 1HB GLN 49 2HB GLN 49 7.364 8.343 4.024 329 2HB GLN 49 1HB GLN 49 5.878 7.697 4.703 330 1HG GLN 49 2HG GLN 49 7.152 6.811 6.606 331 2HG GLN 49 1HG GLN 49 8.621 7.519 5.929 332 1HE2 GLN 49 1HE2 GLN 49 5.570 8.161 7.450 333 2HE2 GLN 49 2HE2 GLN 49 5.873 9.818 7.852 334 H ILE 50 H ILE 50 8.198 3.941 4.314 335 HA ILE 50 HA ILE 50 5.868 2.970 5.837 336 HB ILE 50 HB ILE 50 7.893 1.328 4.298 337 1HG1 ILE 50 2HG1 ILE 50 4.983 1.894 3.679 338 2HG1 ILE 50 1HG1 ILE 50 6.353 2.622 2.847 339 1HG2 ILE 50 1HG2 ILE 50 6.389 -0.558 4.764 340 2HG2 ILE 50 2HG2 ILE 50 5.381 0.499 5.751 341 3HG2 ILE 50 3HG2 ILE 50 7.037 0.146 6.245 342 1HD1 ILE 50 1HD1 ILE 50 7.034 0.434 2.035 343 2HD1 ILE 50 2HD1 ILE 50 5.377 0.806 1.559 344 3HD1 ILE 50 3HD1 ILE 50 5.683 -0.310 2.890 345 H ILE 51 H ILE 51 6.287 3.054 7.945 346 HA ILE 51 HA ILE 51 9.062 2.733 8.850 347 HB ILE 51 HB ILE 51 6.737 3.828 10.440 348 1HG1 ILE 51 2HG1 ILE 51 8.846 5.337 8.871 349 2HG1 ILE 51 1HG1 ILE 51 7.153 5.197 8.417 350 1HG2 ILE 51 1HG2 ILE 51 8.583 3.056 11.807 351 2HG2 ILE 51 2HG2 ILE 51 8.524 4.819 11.822 352 3HG2 ILE 51 3HG2 ILE 51 9.724 3.985 10.833 353 1HD1 ILE 51 1HD1 ILE 51 7.636 7.348 9.440 354 2HD1 ILE 51 2HD1 ILE 51 8.196 6.535 10.903 355 3HD1 ILE 51 3HD1 ILE 51 6.503 6.415 10.420 356 H GLU 52 H GLU 52 6.146 1.069 8.672 357 HA GLU 52 HA GLU 52 5.883 -0.318 11.051 358 1HB GLU 52 2HB GLU 52 5.545 -1.655 8.373 359 2HB GLU 52 1HB GLU 52 4.650 -1.945 9.857 360 1HG GLU 52 2HG GLU 52 3.546 0.192 9.650 361 2HG GLU 52 1HG GLU 52 4.498 0.566 8.211 362 H ARG 53 H ARG 53 7.191 -1.889 8.185 363 HA ARG 53 HA ARG 53 8.868 -3.339 7.814 364 1HB ARG 53 2HB ARG 53 10.156 -1.306 8.363 365 2HB ARG 53 1HB ARG 53 10.220 -1.818 10.040 366 1HG ARG 53 2HG ARG 53 11.609 -3.670 9.508 367 2HG ARG 53 1HG ARG 53 11.361 -3.436 7.775 368 1HD ARG 53 2HD ARG 53 13.554 -2.607 8.570 369 2HD ARG 53 1HD ARG 53 12.561 -1.357 7.823 370 HE ARG 53 HE ARG 53 12.817 -1.653 10.753 371 1HH1 ARG 53 1HH1 ARG 53 12.651 0.312 7.866 372 2HH1 ARG 53 2HH1 ARG 53 12.940 1.802 8.711 373 1HH2 ARG 53 1HH2 ARG 53 13.196 0.338 11.877 374 2HH2 ARG 53 2HH2 ARG 53 13.233 1.820 10.960 Start of MODEL 8 1 H ASP 4 H ASP 4 -1.428 -3.594 15.037 2 HA ASP 4 HA ASP 4 -1.336 -3.566 12.178 3 1HB ASP 4 2HB ASP 4 -2.648 -1.499 12.367 4 2HB ASP 4 1HB ASP 4 -3.321 -2.780 13.367 5 H TYR 5 H TYR 5 -0.855 -1.364 11.119 6 HA TYR 5 HA TYR 5 1.553 -0.098 12.132 7 1HB TYR 5 2HB TYR 5 2.174 -2.296 10.940 8 2HB TYR 5 1HB TYR 5 1.659 -1.504 9.460 9 HD1 TYR 5 HD2 TYR 5 3.812 -0.622 12.395 10 HD2 TYR 5 HD1 TYR 5 3.386 -0.720 8.162 11 HE1 TYR 5 HE2 TYR 5 6.063 0.336 12.153 12 HE2 TYR 5 HE1 TYR 5 5.638 0.238 7.909 13 HH TYR 5 HH TYR 5 7.270 1.495 9.141 14 H VAL 6 H VAL 6 2.369 1.333 10.046 15 HA VAL 6 HA VAL 6 -0.017 2.568 8.885 16 HB VAL 6 HB VAL 6 0.518 3.822 10.928 17 1HG1 VAL 6 1HG1 VAL 6 2.588 5.115 11.110 18 2HG1 VAL 6 2HG1 VAL 6 3.189 4.352 9.636 19 3HG1 VAL 6 3HG1 VAL 6 2.897 3.379 11.078 20 1HG2 VAL 6 1HG2 VAL 6 0.661 6.061 9.934 21 2HG2 VAL 6 2HG2 VAL 6 -0.476 5.020 9.079 22 3HG2 VAL 6 3HG2 VAL 6 1.117 5.335 8.392 23 H MET 7 H MET 7 0.266 3.438 6.879 24 HA MET 7 HA MET 7 2.977 3.286 5.737 25 1HB MET 7 2HB MET 7 1.631 1.413 4.923 26 2HB MET 7 1HB MET 7 0.363 2.522 4.417 27 1HG MET 7 2HG MET 7 1.867 3.504 2.770 28 2HG MET 7 1HG MET 7 3.154 2.416 3.289 29 1HE MET 7 1HE MET 7 -0.669 1.619 2.936 30 2HE MET 7 2HE MET 7 -0.752 0.957 1.303 31 3HE MET 7 3HE MET 7 -0.382 2.663 1.543 32 H ALA 8 H ALA 8 3.657 5.246 5.232 33 HA ALA 8 HA ALA 8 1.736 7.352 4.609 34 1HB ALA 8 1HB ALA 8 3.647 8.867 4.751 35 2HB ALA 8 2HB ALA 8 4.736 7.490 4.940 36 3HB ALA 8 3HB ALA 8 3.542 7.850 6.189 37 H THR 9 H THR 9 1.208 7.781 2.559 38 HA THR 9 HA THR 9 2.856 6.598 0.452 39 HB THR 9 HB THR 9 0.921 7.004 -1.026 40 HG1 THR 9 HG1 THR 9 -0.585 8.328 -0.382 41 1HG2 THR 9 1HG2 THR 9 -0.547 5.309 -0.055 42 2HG2 THR 9 2HG2 THR 9 0.238 5.516 1.511 43 3HG2 THR 9 3HG2 THR 9 1.148 4.866 0.147 44 H LYS 10 H LYS 10 2.531 7.882 -1.689 45 HA LYS 10 HA LYS 10 4.119 10.071 -1.883 46 1HB LYS 10 2HB LYS 10 3.269 8.781 -3.773 47 2HB LYS 10 1HB LYS 10 1.649 9.397 -3.492 48 1HG LYS 10 2HG LYS 10 2.324 11.610 -4.133 49 2HG LYS 10 1HG LYS 10 4.009 11.095 -4.264 50 1HD LYS 10 2HD LYS 10 2.958 11.209 -6.466 51 2HD LYS 10 1HD LYS 10 3.393 9.544 -6.060 52 1HE LYS 10 2HE LYS 10 1.080 9.124 -5.363 53 2HE LYS 10 1HE LYS 10 0.656 10.780 -5.789 54 1HZ LYS 10 1HZ LYS 10 1.265 10.294 -8.085 55 2HZ LYS 10 2HZ LYS 10 0.035 9.271 -7.535 56 3HZ LYS 10 3HZ LYS 10 1.621 8.688 -7.665 57 H ASP 11 H ASP 11 0.665 10.034 -1.229 58 HA ASP 11 HA ASP 11 0.143 12.776 -1.632 59 1HB ASP 11 2HB ASP 11 -1.424 11.035 0.258 60 2HB ASP 11 1HB ASP 11 -2.010 12.333 -0.772 61 H GLY 12 H GLY 12 1.626 11.091 0.966 62 1HA GLY 12 2HA GLY 12 2.622 12.076 2.855 63 2HA GLY 12 1HA GLY 12 1.646 13.518 2.594 64 H ARG 13 H ARG 13 -0.382 10.994 2.232 65 HA ARG 13 HA ARG 13 -1.568 11.408 4.831 66 1HB ARG 13 2HB ARG 13 -3.397 9.989 3.971 67 2HB ARG 13 1HB ARG 13 -3.032 11.326 2.890 68 1HG ARG 13 2HG ARG 13 -1.727 9.785 1.471 69 2HG ARG 13 1HG ARG 13 -2.181 8.461 2.542 70 1HD ARG 13 2HD ARG 13 -4.492 8.705 1.984 71 2HD ARG 13 1HD ARG 13 -4.174 10.192 1.088 72 HE ARG 13 HE ARG 13 -2.640 8.324 -0.165 73 1HH1 ARG 13 1HH1 ARG 13 -6.047 8.580 0.607 74 2HH1 ARG 13 2HH1 ARG 13 -6.555 7.635 -0.765 75 1HH2 ARG 13 1HH2 ARG 13 -3.306 7.101 -1.975 76 2HH2 ARG 13 2HH2 ARG 13 -4.995 6.789 -2.217 77 H MET 14 H MET 14 -1.798 9.900 6.431 78 HA MET 14 HA MET 14 -0.012 7.590 6.241 79 1HB MET 14 2HB MET 14 -1.327 8.915 8.616 80 2HB MET 14 1HB MET 14 -0.333 7.468 8.719 81 1HG MET 14 2HG MET 14 1.576 8.703 7.852 82 2HG MET 14 1HG MET 14 0.584 10.150 7.711 83 1HE MET 14 1HE MET 14 2.553 11.389 9.101 84 2HE MET 14 2HE MET 14 3.409 9.857 9.276 85 3HE MET 14 3HE MET 14 3.088 10.853 10.696 86 H ILE 15 H ILE 15 -1.034 5.909 5.365 87 HA ILE 15 HA ILE 15 -3.845 5.431 5.883 88 HB ILE 15 HB ILE 15 -1.846 3.808 4.290 89 1HG1 ILE 15 2HG1 ILE 15 -3.983 5.754 3.379 90 2HG1 ILE 15 1HG1 ILE 15 -2.248 6.058 3.368 91 1HG2 ILE 15 1HG2 ILE 15 -3.786 2.671 3.339 92 2HG2 ILE 15 2HG2 ILE 15 -4.854 3.598 4.392 93 3HG2 ILE 15 3HG2 ILE 15 -3.715 2.444 5.087 94 1HD1 ILE 15 1HD1 ILE 15 -1.947 4.264 1.738 95 2HD1 ILE 15 2HD1 ILE 15 -3.059 5.502 1.153 96 3HD1 ILE 15 3HD1 ILE 15 -3.686 3.966 1.750 97 H LEU 16 H LEU 16 -4.614 4.163 7.435 98 HA LEU 16 HA LEU 16 -2.817 2.803 9.214 99 1HB LEU 16 2HB LEU 16 -5.831 2.963 9.139 100 2HB LEU 16 1HB LEU 16 -4.939 2.090 10.365 101 HG LEU 16 HG LEU 16 -5.536 4.153 11.339 102 1HD1 LEU 16 1HD1 LEU 16 -3.254 3.475 11.809 103 2HD1 LEU 16 2HD1 LEU 16 -3.402 5.232 11.786 104 3HD1 LEU 16 3HD1 LEU 16 -2.680 4.390 10.413 105 1HD2 LEU 16 1HD2 LEU 16 -6.148 5.387 9.350 106 2HD2 LEU 16 2HD2 LEU 16 -4.456 5.502 8.865 107 3HD2 LEU 16 3HD2 LEU 16 -5.015 6.332 10.317 108 H THR 17 H THR 17 -2.162 0.791 9.066 109 HA THR 17 HA THR 17 -3.645 -1.045 7.303 110 HB THR 17 HB THR 17 -1.439 -2.054 6.689 111 HG1 THR 17 HG1 THR 17 -0.536 -0.006 8.398 112 1HG2 THR 17 1HG2 THR 17 -1.724 0.887 6.049 113 2HG2 THR 17 2HG2 THR 17 -2.470 -0.448 5.170 114 3HG2 THR 17 3HG2 THR 17 -0.717 -0.257 5.165 115 H ASP 18 H ASP 18 -3.468 -3.312 7.862 116 HA ASP 18 HA ASP 18 -3.155 -3.867 10.664 117 1HB ASP 18 2HB ASP 18 -4.711 -5.134 9.166 118 2HB ASP 18 1HB ASP 18 -3.309 -5.824 8.357 119 H GLY 19 H GLY 19 -1.139 -3.528 8.037 120 1HA GLY 19 2HA GLY 19 1.180 -3.061 8.529 121 2HA GLY 19 1HA GLY 19 1.169 -4.435 9.629 122 H LYS 20 H LYS 20 3.103 -4.158 7.483 123 HA LYS 20 HA LYS 20 4.119 -5.797 6.293 124 1HB LYS 20 2HB LYS 20 1.743 -7.512 7.007 125 2HB LYS 20 1HB LYS 20 3.237 -8.083 6.268 126 1HG LYS 20 2HG LYS 20 4.431 -7.106 8.284 127 2HG LYS 20 1HG LYS 20 2.840 -6.949 9.023 128 1HD LYS 20 2HD LYS 20 3.782 -8.988 9.797 129 2HD LYS 20 1HD LYS 20 2.524 -9.405 8.631 130 1HE LYS 20 2HE LYS 20 4.077 -9.985 6.986 131 2HE LYS 20 1HE LYS 20 5.393 -9.139 7.799 132 1HZ LYS 20 1HZ LYS 20 5.388 -10.795 9.523 133 2HZ LYS 20 2HZ LYS 20 5.542 -11.564 8.018 134 3HZ LYS 20 3HZ LYS 20 4.055 -11.580 8.833 135 HA PRO 21 HA PRO 21 1.607 -4.733 2.645 136 1HB PRO 21 2HB PRO 21 3.448 -3.209 1.401 137 2HB PRO 21 1HB PRO 21 2.412 -2.573 2.683 138 1HG PRO 21 2HG PRO 21 5.273 -3.383 2.785 139 2HG PRO 21 1HG PRO 21 4.439 -2.078 3.645 140 1HD PRO 21 2HD PRO 21 5.098 -4.569 4.709 141 2HD PRO 21 1HD PRO 21 3.914 -3.434 5.385 142 H GLU 22 H GLU 22 1.491 -6.392 1.285 143 HA GLU 22 HA GLU 22 3.849 -7.846 0.466 144 1HB GLU 22 2HB GLU 22 1.757 -9.052 0.915 145 2HB GLU 22 1HB GLU 22 0.949 -8.138 -0.350 146 1HG GLU 22 2HG GLU 22 1.449 -10.255 -1.252 147 2HG GLU 22 1HG GLU 22 2.584 -9.116 -1.972 148 H ILE 23 H ILE 23 5.087 -6.639 -0.835 149 HA ILE 23 HA ILE 23 3.904 -5.063 -2.945 150 HB ILE 23 HB ILE 23 6.833 -5.596 -2.421 151 1HG1 ILE 23 2HG1 ILE 23 5.065 -3.323 -1.485 152 2HG1 ILE 23 1HG1 ILE 23 5.783 -4.561 -0.466 153 1HG2 ILE 23 1HG2 ILE 23 6.379 -4.809 -4.676 154 2HG2 ILE 23 2HG2 ILE 23 7.174 -3.545 -3.736 155 3HG2 ILE 23 3HG2 ILE 23 5.438 -3.462 -4.035 156 1HD1 ILE 23 1HD1 ILE 23 7.310 -2.512 -2.053 157 2HD1 ILE 23 2HD1 ILE 23 8.005 -3.735 -0.987 158 3HD1 ILE 23 3HD1 ILE 23 6.993 -2.454 -0.320 159 H ASP 24 H ASP 24 3.146 -6.140 -4.630 160 HA ASP 24 HA ASP 24 4.153 -8.649 -5.518 161 1HB ASP 24 2HB ASP 24 2.216 -6.640 -6.628 162 2HB ASP 24 1HB ASP 24 2.766 -7.979 -7.631 163 H ASP 25 H ASP 25 5.978 -8.967 -6.559 164 HA ASP 25 HA ASP 25 7.608 -6.708 -7.181 165 1HB ASP 25 2HB ASP 25 8.449 -8.809 -6.118 166 2HB ASP 25 1HB ASP 25 8.184 -9.640 -7.645 167 H ASP 26 H ASP 26 5.644 -8.890 -9.031 168 HA ASP 26 HA ASP 26 7.063 -8.338 -11.488 169 1HB ASP 26 2HB ASP 26 6.111 -10.586 -11.067 170 2HB ASP 26 1HB ASP 26 4.495 -9.887 -11.097 171 H THR 27 H THR 27 3.777 -7.737 -10.245 172 HA THR 27 HA THR 27 3.167 -6.087 -12.539 173 HB THR 27 HB THR 27 1.381 -7.472 -11.674 174 HG1 THR 27 HG1 THR 27 0.793 -5.425 -12.549 175 1HG2 THR 27 1HG2 THR 27 2.076 -7.568 -9.329 176 2HG2 THR 27 2HG2 THR 27 0.381 -7.105 -9.484 177 3HG2 THR 27 3HG2 THR 27 1.600 -5.882 -9.123 178 H GLY 28 H GLY 28 4.158 -5.602 -9.219 179 1HA GLY 28 2HA GLY 28 5.176 -3.643 -8.425 180 2HA GLY 28 1HA GLY 28 4.532 -2.776 -9.809 181 H LEU 29 H LEU 29 2.431 -4.785 -7.943 182 HA LEU 29 HA LEU 29 1.057 -2.384 -6.965 183 1HB LEU 29 2HB LEU 29 0.032 -5.224 -7.072 184 2HB LEU 29 1HB LEU 29 -0.896 -3.793 -6.671 185 HG LEU 29 HG LEU 29 0.264 -4.481 -9.369 186 1HD1 LEU 29 1HD1 LEU 29 -2.576 -4.293 -8.377 187 2HD1 LEU 29 2HD1 LEU 29 -1.707 -5.769 -8.796 188 3HD1 LEU 29 3HD1 LEU 29 -2.089 -4.587 -10.046 189 1HD2 LEU 29 1HD2 LEU 29 -0.866 -2.467 -10.173 190 2HD2 LEU 29 2HD2 LEU 29 0.391 -2.081 -8.998 191 3HD2 LEU 29 3HD2 LEU 29 -1.306 -2.051 -8.517 192 H VAL 30 H VAL 30 0.687 -2.059 -4.805 193 HA VAL 30 HA VAL 30 2.136 -3.857 -2.990 194 HB VAL 30 HB VAL 30 1.097 -1.072 -2.435 195 1HG1 VAL 30 1HG1 VAL 30 1.317 -2.459 -0.427 196 2HG1 VAL 30 2HG1 VAL 30 2.520 -1.169 -0.450 197 3HG1 VAL 30 3HG1 VAL 30 2.988 -2.819 -0.860 198 1HG2 VAL 30 1HG2 VAL 30 3.457 -0.383 -2.583 199 2HG2 VAL 30 2HG2 VAL 30 2.842 -0.997 -4.117 200 3HG2 VAL 30 3HG2 VAL 30 3.882 -2.009 -3.115 201 H SER 31 H SER 31 0.791 -5.452 -2.437 202 HA SER 31 HA SER 31 -2.009 -4.954 -1.856 203 1HB SER 31 2HB SER 31 -0.428 -7.524 -1.590 204 2HB SER 31 1HB SER 31 -2.185 -7.359 -1.669 205 HG SER 31 HG SER 31 -0.288 -7.279 -3.697 206 H TYR 32 H TYR 32 -2.511 -4.138 0.108 207 HA TYR 32 HA TYR 32 -0.905 -5.083 2.391 208 1HB TYR 32 2HB TYR 32 -1.110 -2.917 3.444 209 2HB TYR 32 1HB TYR 32 -0.439 -2.708 1.831 210 HD1 TYR 32 HD2 TYR 32 -1.994 -1.923 -0.018 211 HD2 TYR 32 HD1 TYR 32 -3.059 -1.792 4.094 212 HE1 TYR 32 HE2 TYR 32 -3.735 -0.264 -0.525 213 HE2 TYR 32 HE1 TYR 32 -4.797 -0.129 3.598 214 HH TYR 32 HH TYR 32 -5.326 1.522 1.915 215 H HIS 33 H HIS 33 -1.994 -5.019 4.473 216 HA HIS 33 HA HIS 33 -4.774 -5.846 4.196 217 1HB HIS 33 2HB HIS 33 -2.863 -6.010 6.538 218 2HB HIS 33 1HB HIS 33 -4.546 -6.521 6.608 219 HD1 HIS 33 HD1 HIS 33 -1.639 -8.164 6.712 220 HD2 HIS 33 HD2 HIS 33 -4.704 -8.311 3.902 221 HE1 HIS 33 HE1 HIS 33 -1.404 -10.388 5.563 222 HE2 HIS 33 HE2 HIS 33 -3.398 -10.543 4.030 223 H ASP 34 H ASP 34 -6.383 -4.558 4.627 224 HA ASP 34 HA ASP 34 -6.087 -1.863 5.396 225 1HB ASP 34 2HB ASP 34 -8.526 -3.645 5.391 226 2HB ASP 34 1HB ASP 34 -8.575 -1.909 5.641 227 H GLN 35 H GLN 35 -6.972 -0.809 7.274 228 HA GLN 35 HA GLN 35 -6.663 -2.204 9.753 229 1HB GLN 35 2HB GLN 35 -7.546 -0.119 10.775 230 2HB GLN 35 1HB GLN 35 -6.190 0.167 9.697 231 1HG GLN 35 2HG GLN 35 -7.493 1.823 8.935 232 2HG GLN 35 1HG GLN 35 -8.231 0.533 7.986 233 1HE2 GLN 35 1HE2 GLN 35 -8.573 2.625 10.745 234 2HE2 GLN 35 2HE2 GLN 35 -10.269 2.370 10.985 235 H GLN 36 H GLN 36 -9.140 -1.816 7.468 236 HA GLN 36 HA GLN 36 -11.320 -2.505 9.228 237 1HB GLN 36 2HB GLN 36 -11.559 -1.071 7.180 238 2HB GLN 36 1HB GLN 36 -11.237 -2.497 6.206 239 1HG GLN 36 2HG GLN 36 -13.611 -2.040 6.317 240 2HG GLN 36 1HG GLN 36 -13.230 -3.571 7.104 241 1HE2 GLN 36 1HE2 GLN 36 -14.179 -0.258 7.584 242 2HE2 GLN 36 2HE2 GLN 36 -14.742 -0.445 9.211 243 H GLY 37 H GLY 37 -8.839 -4.144 7.621 244 1HA GLY 37 2HA GLY 37 -8.369 -6.418 8.049 245 2HA GLY 37 1HA GLY 37 -10.077 -6.691 8.348 246 H ASN 38 H ASN 38 -8.966 -4.972 5.506 247 HA ASN 38 HA ASN 38 -9.739 -7.310 3.887 248 1HB ASN 38 2HB ASN 38 -9.492 -4.472 2.871 249 2HB ASN 38 1HB ASN 38 -10.247 -5.838 2.066 250 1HD2 ASN 38 1HD2 ASN 38 -10.685 -3.175 4.068 251 2HD2 ASN 38 2HD2 ASN 38 -12.339 -3.457 4.494 252 H ALA 39 H ALA 39 -8.550 -7.124 1.618 253 HA ALA 39 HA ALA 39 -5.767 -6.270 2.002 254 1HB ALA 39 1HB ALA 39 -5.866 -8.703 2.360 255 2HB ALA 39 2HB ALA 39 -4.937 -8.279 0.922 256 3HB ALA 39 3HB ALA 39 -6.581 -8.897 0.759 257 H MET 40 H MET 40 -5.582 -4.647 0.577 258 HA MET 40 HA MET 40 -6.365 -5.194 -2.193 259 1HB MET 40 2HB MET 40 -7.174 -2.843 -2.429 260 2HB MET 40 1HB MET 40 -8.188 -3.868 -1.428 261 1HG MET 40 2HG MET 40 -7.290 -2.847 0.578 262 2HG MET 40 1HG MET 40 -6.188 -1.865 -0.395 263 1HE MET 40 1HE MET 40 -7.217 0.230 1.037 264 2HE MET 40 2HE MET 40 -8.387 -0.829 1.828 265 3HE MET 40 3HE MET 40 -8.930 0.649 1.026 266 H GLN 41 H GLN 41 -5.471 -3.346 -3.653 267 HA GLN 41 HA GLN 41 -2.623 -3.243 -2.933 268 1HB GLN 41 2HB GLN 41 -3.826 -3.368 -5.700 269 2HB GLN 41 1HB GLN 41 -2.118 -3.453 -5.298 270 1HG GLN 41 2HG GLN 41 -2.508 -5.655 -5.575 271 2HG GLN 41 1HG GLN 41 -2.955 -5.532 -3.875 272 1HE2 GLN 41 1HE2 GLN 41 -3.790 -7.445 -5.887 273 2HE2 GLN 41 2HE2 GLN 41 -5.516 -7.350 -5.965 274 H ILE 42 H ILE 42 -1.416 -1.437 -3.313 275 HA ILE 42 HA ILE 42 -2.710 0.808 -4.729 276 HB ILE 42 HB ILE 42 -1.359 2.397 -3.537 277 1HG1 ILE 42 2HG1 ILE 42 -0.188 0.257 -1.790 278 2HG1 ILE 42 1HG1 ILE 42 0.577 0.661 -3.326 279 1HG2 ILE 42 1HG2 ILE 42 -2.531 0.456 -1.559 280 2HG2 ILE 42 2HG2 ILE 42 -3.426 1.699 -2.431 281 3HG2 ILE 42 3HG2 ILE 42 -2.187 2.159 -1.261 282 1HD1 ILE 42 1HD1 ILE 42 0.814 2.968 -2.607 283 2HD1 ILE 42 2HD1 ILE 42 1.594 1.858 -1.477 284 3HD1 ILE 42 3HD1 ILE 42 0.033 2.575 -1.073 285 H ASN 43 H ASN 43 -0.701 2.322 -5.504 286 HA ASN 43 HA ASN 43 0.813 0.613 -7.304 287 1HB ASN 43 2HB ASN 43 -0.346 2.803 -7.952 288 2HB ASN 43 1HB ASN 43 0.956 3.619 -7.104 289 1HD2 ASN 43 1HD2 ASN 43 0.233 3.768 -9.880 290 2HD2 ASN 43 2HD2 ASN 43 1.624 3.260 -10.788 291 H ARG 44 H ARG 44 3.045 0.411 -7.311 292 HA ARG 44 HA ARG 44 4.447 0.758 -4.872 293 1HB ARG 44 2HB ARG 44 4.953 -0.961 -6.646 294 2HB ARG 44 1HB ARG 44 5.639 0.329 -7.621 295 1HG ARG 44 2HG ARG 44 7.323 0.743 -5.913 296 2HG ARG 44 1HG ARG 44 6.621 -0.522 -4.902 297 1HD ARG 44 2HD ARG 44 8.564 -1.383 -6.068 298 2HD ARG 44 1HD ARG 44 7.105 -2.168 -6.672 299 HE ARG 44 HE ARG 44 7.991 0.146 -8.175 300 1HH1 ARG 44 1HH1 ARG 44 8.191 -3.341 -7.846 301 2HH1 ARG 44 2HH1 ARG 44 8.596 -3.598 -9.513 302 1HH2 ARG 44 1HH2 ARG 44 8.509 -0.209 -10.367 303 2HH2 ARG 44 2HH2 ARG 44 8.783 -1.829 -10.938 304 H ASP 45 H ASP 45 3.989 2.744 -7.691 305 HA ASP 45 HA ASP 45 6.041 4.648 -7.103 306 1HB ASP 45 2HB ASP 45 3.568 4.743 -8.829 307 2HB ASP 45 1HB ASP 45 4.623 6.136 -8.633 308 H ASP 46 H ASP 46 2.807 4.114 -6.000 309 HA ASP 46 HA ASP 46 2.434 6.827 -5.069 310 1HB ASP 46 2HB ASP 46 0.716 4.385 -5.145 311 2HB ASP 46 1HB ASP 46 0.303 5.686 -4.033 312 H VAL 47 H VAL 47 3.619 3.861 -3.775 313 HA VAL 47 HA VAL 47 3.217 4.693 -1.032 314 HB VAL 47 HB VAL 47 3.211 2.285 -1.648 315 1HG1 VAL 47 1HG1 VAL 47 6.152 2.713 -2.122 316 2HG1 VAL 47 2HG1 VAL 47 4.944 2.252 -3.320 317 3HG1 VAL 47 3HG1 VAL 47 5.359 1.140 -2.017 318 1HG2 VAL 47 1HG2 VAL 47 5.328 3.114 0.323 319 2HG2 VAL 47 2HG2 VAL 47 4.577 1.519 0.240 320 3HG2 VAL 47 3HG2 VAL 47 3.605 2.934 0.645 321 H SER 48 H SER 48 4.815 5.488 0.358 322 HA SER 48 HA SER 48 7.263 6.389 -0.996 323 1HB SER 48 2HB SER 48 5.579 8.198 -0.955 324 2HB SER 48 1HB SER 48 5.513 8.087 0.801 325 HG SER 48 HG SER 48 7.568 9.040 -0.869 326 H GLN 49 H GLN 49 5.912 6.766 2.300 327 HA GLN 49 HA GLN 49 8.525 5.841 3.285 328 1HB GLN 49 2HB GLN 49 6.684 7.987 4.228 329 2HB GLN 49 1HB GLN 49 7.682 7.154 5.412 330 1HG GLN 49 2HG GLN 49 8.772 8.481 2.943 331 2HG GLN 49 1HG GLN 49 8.654 9.266 4.517 332 1HE2 GLN 49 1HE2 GLN 49 10.859 9.536 4.706 333 2HE2 GLN 49 2HE2 GLN 49 11.940 8.221 5.001 334 H ILE 50 H ILE 50 8.428 3.856 3.975 335 HA ILE 50 HA ILE 50 6.227 3.097 5.781 336 HB ILE 50 HB ILE 50 7.979 1.249 4.136 337 1HG1 ILE 50 2HG1 ILE 50 5.063 1.978 3.788 338 2HG1 ILE 50 1HG1 ILE 50 6.382 2.510 2.750 339 1HG2 ILE 50 1HG2 ILE 50 6.410 -0.512 4.862 340 2HG2 ILE 50 2HG2 ILE 50 5.616 0.659 5.916 341 3HG2 ILE 50 3HG2 ILE 50 7.295 0.205 6.210 342 1HD1 ILE 50 1HD1 ILE 50 6.793 0.224 2.064 343 2HD1 ILE 50 2HD1 ILE 50 5.114 0.670 1.769 344 3HD1 ILE 50 3HD1 ILE 50 5.524 -0.347 3.147 345 H ILE 51 H ILE 51 9.610 3.525 5.339 346 HA ILE 51 HA ILE 51 10.226 2.060 7.809 347 HB ILE 51 HB ILE 51 12.103 2.874 5.583 348 1HG1 ILE 51 2HG1 ILE 51 11.035 0.132 6.293 349 2HG1 ILE 51 1HG1 ILE 51 10.476 1.106 4.938 350 1HG2 ILE 51 1HG2 ILE 51 13.720 1.410 6.708 351 2HG2 ILE 51 2HG2 ILE 51 12.565 1.154 8.017 352 3HG2 ILE 51 3HG2 ILE 51 13.230 2.763 7.729 353 1HD1 ILE 51 1HD1 ILE 51 12.019 -0.594 4.188 354 2HD1 ILE 51 2HD1 ILE 51 13.250 -0.009 5.307 355 3HD1 ILE 51 3HD1 ILE 51 12.726 1.005 3.962 356 H GLU 52 H GLU 52 11.180 5.011 6.031 357 HA GLU 52 HA GLU 52 12.238 6.904 6.658 358 1HB GLU 52 2HB GLU 52 10.264 7.329 8.016 359 2HB GLU 52 1HB GLU 52 10.902 6.331 9.313 360 1HG GLU 52 2HG GLU 52 11.090 8.751 9.748 361 2HG GLU 52 1HG GLU 52 12.642 7.917 9.765 362 H ARG 53 H ARG 53 12.587 5.701 9.921 363 HA ARG 53 HA ARG 53 14.883 4.187 9.810 364 1HB ARG 53 2HB ARG 53 15.458 7.095 9.668 365 2HB ARG 53 1HB ARG 53 16.371 6.200 10.876 366 1HG ARG 53 2HG ARG 53 17.180 4.679 9.146 367 2HG ARG 53 1HG ARG 53 16.255 5.561 7.933 368 1HD ARG 53 2HD ARG 53 17.567 7.610 8.599 369 2HD ARG 53 1HD ARG 53 18.604 6.535 9.539 370 HE ARG 53 HE ARG 53 18.203 6.127 6.644 371 1HH1 ARG 53 1HH1 ARG 53 20.327 6.630 9.383 372 2HH1 ARG 53 2HH1 ARG 53 21.782 6.354 8.467 373 1HH2 ARG 53 1HH2 ARG 53 20.096 5.771 5.441 374 2HH2 ARG 53 2HH2 ARG 53 21.647 5.842 6.219 Start of MODEL 9 1 H ASP 4 H ASP 4 -0.290 -1.495 14.236 2 HA ASP 4 HA ASP 4 0.229 -1.434 11.400 3 1HB ASP 4 2HB ASP 4 -1.888 -0.614 11.907 4 2HB ASP 4 1HB ASP 4 -1.322 0.260 13.326 5 H TYR 5 H TYR 5 1.476 0.053 10.298 6 HA TYR 5 HA TYR 5 3.457 1.484 11.952 7 1HB TYR 5 2HB TYR 5 3.892 0.201 9.244 8 2HB TYR 5 1HB TYR 5 5.105 1.051 10.190 9 HD1 TYR 5 HD1 TYR 5 5.532 0.075 12.596 10 HD2 TYR 5 HD2 TYR 5 3.758 -2.106 9.400 11 HE1 TYR 5 HE1 TYR 5 6.158 -2.035 13.694 12 HE2 TYR 5 HE2 TYR 5 4.376 -4.222 10.494 13 HH TYR 5 HH TYR 5 5.409 -4.396 13.706 14 H VAL 6 H VAL 6 0.845 2.257 10.544 15 HA VAL 6 HA VAL 6 -0.019 3.719 9.035 16 HB VAL 6 HB VAL 6 0.800 6.095 9.346 17 1HG1 VAL 6 1HG1 VAL 6 -1.095 5.230 10.558 18 2HG1 VAL 6 2HG1 VAL 6 -0.125 6.243 11.630 19 3HG1 VAL 6 3HG1 VAL 6 -0.032 4.486 11.755 20 1HG2 VAL 6 1HG2 VAL 6 2.239 6.537 11.280 21 2HG2 VAL 6 2HG2 VAL 6 3.096 5.647 10.018 22 3HG2 VAL 6 3HG2 VAL 6 2.526 4.804 11.457 23 H MET 7 H MET 7 0.524 2.809 7.104 24 HA MET 7 HA MET 7 3.063 3.199 5.890 25 1HB MET 7 2HB MET 7 1.509 1.259 5.458 26 2HB MET 7 1HB MET 7 0.492 2.359 4.540 27 1HG MET 7 2HG MET 7 3.380 2.043 3.848 28 2HG MET 7 1HG MET 7 2.200 0.850 3.314 29 1HE MET 7 1HE MET 7 -0.205 3.015 1.122 30 2HE MET 7 2HE MET 7 -0.362 2.543 2.814 31 3HE MET 7 3HE MET 7 0.213 1.377 1.622 32 H ALA 8 H ALA 8 3.718 5.112 5.295 33 HA ALA 8 HA ALA 8 1.863 7.198 4.543 34 1HB ALA 8 1HB ALA 8 4.871 7.212 4.761 35 2HB ALA 8 2HB ALA 8 3.734 7.730 6.006 36 3HB ALA 8 3HB ALA 8 3.854 8.628 4.493 37 H THR 9 H THR 9 1.352 7.721 2.531 38 HA THR 9 HA THR 9 2.759 6.383 0.353 39 HB THR 9 HB THR 9 0.866 7.286 -1.033 40 HG1 THR 9 HG1 THR 9 -0.367 7.813 1.477 41 1HG2 THR 9 1HG2 THR 9 0.159 5.524 1.317 42 2HG2 THR 9 2HG2 THR 9 0.831 4.991 -0.224 43 3HG2 THR 9 3HG2 THR 9 -0.793 5.675 -0.161 44 H LYS 10 H LYS 10 3.040 7.638 -1.665 45 HA LYS 10 HA LYS 10 4.783 9.795 -1.346 46 1HB LYS 10 2HB LYS 10 4.806 8.350 -3.292 47 2HB LYS 10 1HB LYS 10 3.183 8.860 -3.731 48 1HG LYS 10 2HG LYS 10 3.953 11.049 -4.302 49 2HG LYS 10 1HG LYS 10 5.563 10.699 -3.664 50 1HD LYS 10 2HD LYS 10 5.445 10.556 -6.137 51 2HD LYS 10 1HD LYS 10 5.931 9.036 -5.377 52 1HE LYS 10 2HE LYS 10 3.615 8.227 -5.561 53 2HE LYS 10 1HE LYS 10 3.158 9.735 -6.345 54 1HZ LYS 10 1HZ LYS 10 3.541 7.914 -7.913 55 2HZ LYS 10 2HZ LYS 10 5.159 7.820 -7.419 56 3HZ LYS 10 3HZ LYS 10 4.584 9.220 -8.181 57 H ASP 11 H ASP 11 1.337 9.672 -1.797 58 HA ASP 11 HA ASP 11 0.937 12.381 -2.534 59 1HB ASP 11 2HB ASP 11 -0.714 10.619 -2.984 60 2HB ASP 11 1HB ASP 11 -0.969 10.415 -1.255 61 H GLY 12 H GLY 12 1.081 10.702 0.551 62 1HA GLY 12 2HA GLY 12 1.848 12.086 2.452 63 2HA GLY 12 1HA GLY 12 0.711 13.307 1.903 64 H ARG 13 H ARG 13 -0.997 10.729 1.293 65 HA ARG 13 HA ARG 13 -2.533 10.856 3.701 66 1HB ARG 13 2HB ARG 13 -3.593 8.718 2.445 67 2HB ARG 13 1HB ARG 13 -4.001 10.383 2.039 68 1HG ARG 13 2HG ARG 13 -2.297 10.359 0.303 69 2HG ARG 13 1HG ARG 13 -1.933 8.680 0.680 70 1HD ARG 13 2HD ARG 13 -4.083 7.967 -0.055 71 2HD ARG 13 1HD ARG 13 -4.654 9.632 -0.189 72 HE ARG 13 HE ARG 13 -3.483 9.871 -2.175 73 1HH1 ARG 13 1HH1 ARG 13 -2.955 6.689 -0.813 74 2HH1 ARG 13 2HH1 ARG 13 -2.052 6.120 -2.186 75 1HH2 ARG 13 1HH2 ARG 13 -2.334 9.098 -4.002 76 2HH2 ARG 13 2HH2 ARG 13 -1.696 7.472 -3.980 77 H MET 14 H MET 14 -2.312 9.766 5.443 78 HA MET 14 HA MET 14 -0.381 7.589 5.629 79 1HB MET 14 2HB MET 14 -2.017 8.942 7.789 80 2HB MET 14 1HB MET 14 -0.725 7.784 8.059 81 1HG MET 14 2HG MET 14 -0.389 10.471 6.758 82 2HG MET 14 1HG MET 14 -0.043 10.112 8.449 83 1HE MET 14 1HE MET 14 2.039 11.422 6.346 84 2HE MET 14 2HE MET 14 3.509 10.576 6.828 85 3HE MET 14 3HE MET 14 2.380 11.153 8.055 86 H ILE 15 H ILE 15 -1.006 5.518 5.465 87 HA ILE 15 HA ILE 15 -3.876 4.970 5.776 88 HB ILE 15 HB ILE 15 -1.804 3.362 4.272 89 1HG1 ILE 15 2HG1 ILE 15 -4.037 5.151 3.279 90 2HG1 ILE 15 1HG1 ILE 15 -2.314 5.506 3.183 91 1HG2 ILE 15 1HG2 ILE 15 -3.716 2.092 3.417 92 2HG2 ILE 15 2HG2 ILE 15 -4.795 3.019 4.456 93 3HG2 ILE 15 3HG2 ILE 15 -3.581 1.959 5.170 94 1HD1 ILE 15 1HD1 ILE 15 -3.710 3.221 1.800 95 2HD1 ILE 15 2HD1 ILE 15 -2.000 3.636 1.669 96 3HD1 ILE 15 3HD1 ILE 15 -3.225 4.744 1.050 97 H LEU 16 H LEU 16 -4.535 3.872 7.457 98 HA LEU 16 HA LEU 16 -2.804 2.588 9.313 99 1HB LEU 16 2HB LEU 16 -5.800 2.495 8.942 100 2HB LEU 16 1HB LEU 16 -4.969 1.670 10.244 101 HG LEU 16 HG LEU 16 -5.900 3.704 11.102 102 1HD1 LEU 16 1HD1 LEU 16 -2.932 4.013 10.726 103 2HD1 LEU 16 2HD1 LEU 16 -3.731 3.062 11.979 104 3HD1 LEU 16 3HD1 LEU 16 -3.908 4.817 11.955 105 1HD2 LEU 16 1HD2 LEU 16 -4.360 5.175 8.970 106 2HD2 LEU 16 2HD2 LEU 16 -5.326 5.905 10.252 107 3HD2 LEU 16 3HD2 LEU 16 -6.107 4.940 8.999 108 H THR 17 H THR 17 -1.892 0.655 9.082 109 HA THR 17 HA THR 17 -3.097 -1.203 7.131 110 HB THR 17 HB THR 17 -0.680 -1.708 6.439 111 HG1 THR 17 HG1 THR 17 -0.321 0.359 8.196 112 1HG2 THR 17 1HG2 THR 17 -2.268 -0.570 4.973 113 2HG2 THR 17 2HG2 THR 17 -0.655 0.125 4.806 114 3HG2 THR 17 3HG2 THR 17 -1.888 0.969 5.743 115 H ASP 18 H ASP 18 -2.787 -3.359 7.456 116 HA ASP 18 HA ASP 18 -1.966 -4.432 9.928 117 1HB ASP 18 2HB ASP 18 -3.406 -5.682 8.451 118 2HB ASP 18 1HB ASP 18 -2.218 -5.625 7.157 119 H GLY 19 H GLY 19 0.032 -5.825 10.257 120 1HA GLY 19 2HA GLY 19 2.246 -4.088 9.574 121 2HA GLY 19 1HA GLY 19 2.308 -5.467 10.659 122 H LYS 20 H LYS 20 2.328 -4.516 7.234 123 HA LYS 20 HA LYS 20 3.808 -6.452 6.099 124 1HB LYS 20 2HB LYS 20 2.582 -8.190 7.279 125 2HB LYS 20 1HB LYS 20 1.065 -7.611 6.601 126 1HG LYS 20 2HG LYS 20 1.380 -8.696 4.674 127 2HG LYS 20 1HG LYS 20 3.069 -8.206 4.572 128 1HD LYS 20 2HD LYS 20 3.676 -9.978 6.150 129 2HD LYS 20 1HD LYS 20 1.982 -10.469 6.248 130 1HE LYS 20 2HE LYS 20 1.967 -11.073 3.922 131 2HE LYS 20 1HE LYS 20 3.581 -10.407 3.694 132 1HZ LYS 20 1HZ LYS 20 3.038 -12.660 5.547 133 2HZ LYS 20 2HZ LYS 20 4.536 -12.136 4.940 134 3HZ LYS 20 3HZ LYS 20 3.423 -12.891 3.909 135 HA PRO 21 HA PRO 21 1.630 -4.371 2.733 136 1HB PRO 21 2HB PRO 21 3.672 -2.864 1.840 137 2HB PRO 21 1HB PRO 21 2.632 -2.327 3.162 138 1HG PRO 21 2HG PRO 21 5.418 -3.299 3.237 139 2HG PRO 21 1HG PRO 21 4.566 -2.237 4.370 140 1HD PRO 21 2HD PRO 21 5.068 -5.046 4.629 141 2HD PRO 21 1HD PRO 21 4.168 -3.995 5.738 142 H GLU 22 H GLU 22 1.542 -6.271 1.543 143 HA GLU 22 HA GLU 22 3.969 -7.644 0.810 144 1HB GLU 22 2HB GLU 22 1.717 -8.713 1.460 145 2HB GLU 22 1HB GLU 22 1.198 -8.308 -0.168 146 1HG GLU 22 2HG GLU 22 2.911 -9.689 -1.116 147 2HG GLU 22 1HG GLU 22 3.598 -10.001 0.478 148 H ILE 23 H ILE 23 5.099 -6.461 -0.600 149 HA ILE 23 HA ILE 23 3.835 -5.050 -2.759 150 HB ILE 23 HB ILE 23 6.785 -5.467 -2.270 151 1HG1 ILE 23 2HG1 ILE 23 4.961 -3.227 -1.367 152 2HG1 ILE 23 1HG1 ILE 23 5.718 -4.424 -0.323 153 1HG2 ILE 23 1HG2 ILE 23 7.037 -3.447 -3.639 154 2HG2 ILE 23 2HG2 ILE 23 5.294 -3.412 -3.900 155 3HG2 ILE 23 3HG2 ILE 23 6.253 -4.749 -4.534 156 1HD1 ILE 23 1HD1 ILE 23 7.152 -2.342 -1.959 157 2HD1 ILE 23 2HD1 ILE 23 7.919 -3.548 -0.926 158 3HD1 ILE 23 3HD1 ILE 23 6.889 -2.307 -0.215 159 H ASP 24 H ASP 24 3.294 -5.944 -4.598 160 HA ASP 24 HA ASP 24 4.834 -8.239 -5.594 161 1HB ASP 24 2HB ASP 24 2.097 -7.227 -6.409 162 2HB ASP 24 1HB ASP 24 2.924 -8.592 -7.152 163 H ASP 25 H ASP 25 6.561 -7.287 -6.553 164 HA ASP 25 HA ASP 25 6.311 -4.762 -7.901 165 1HB ASP 25 2HB ASP 25 8.336 -5.481 -6.596 166 2HB ASP 25 1HB ASP 25 8.697 -6.619 -7.891 167 H ASP 26 H ASP 26 6.042 -8.033 -8.805 168 HA ASP 26 HA ASP 26 6.768 -8.045 -11.483 169 1HB ASP 26 2HB ASP 26 4.421 -9.448 -10.177 170 2HB ASP 26 1HB ASP 26 5.078 -9.842 -11.762 171 H THR 27 H THR 27 3.663 -7.148 -10.028 172 HA THR 27 HA THR 27 2.804 -5.952 -12.547 173 HB THR 27 HB THR 27 1.070 -7.189 -11.475 174 HG1 THR 27 HG1 THR 27 -0.109 -5.566 -12.129 175 1HG2 THR 27 1HG2 THR 27 1.968 -7.271 -9.212 176 2HG2 THR 27 2HG2 THR 27 0.290 -6.725 -9.193 177 3HG2 THR 27 3HG2 THR 27 1.600 -5.560 -8.991 178 H GLY 28 H GLY 28 3.998 -5.096 -9.394 179 1HA GLY 28 2HA GLY 28 5.033 -3.025 -8.913 180 2HA GLY 28 1HA GLY 28 4.127 -2.298 -10.233 181 H LEU 29 H LEU 29 2.728 -4.352 -7.764 182 HA LEU 29 HA LEU 29 1.251 -2.010 -6.752 183 1HB LEU 29 2HB LEU 29 0.237 -4.850 -6.858 184 2HB LEU 29 1HB LEU 29 -0.663 -3.425 -6.384 185 HG LEU 29 HG LEU 29 0.308 -4.087 -9.163 186 1HD1 LEU 29 1HD1 LEU 29 -2.469 -3.907 -8.006 187 2HD1 LEU 29 2HD1 LEU 29 -1.618 -5.393 -8.425 188 3HD1 LEU 29 3HD1 LEU 29 -2.065 -4.249 -9.689 189 1HD2 LEU 29 1HD2 LEU 29 0.418 -1.675 -8.730 190 2HD2 LEU 29 2HD2 LEU 29 -1.271 -1.696 -8.222 191 3HD2 LEU 29 3HD2 LEU 29 -0.844 -2.085 -9.890 192 H VAL 30 H VAL 30 0.591 -2.119 -4.531 193 HA VAL 30 HA VAL 30 2.195 -3.981 -2.894 194 HB VAL 30 HB VAL 30 1.339 -1.164 -2.182 195 1HG1 VAL 30 1HG1 VAL 30 1.283 -2.566 -0.214 196 2HG1 VAL 30 2HG1 VAL 30 2.696 -1.514 -0.139 197 3HG1 VAL 30 3HG1 VAL 30 2.881 -3.209 -0.585 198 1HG2 VAL 30 1HG2 VAL 30 3.757 -0.694 -2.155 199 2HG2 VAL 30 2HG2 VAL 30 3.186 -1.171 -3.753 200 3HG2 VAL 30 3HG2 VAL 30 4.066 -2.324 -2.750 201 H SER 31 H SER 31 0.899 -5.495 -2.150 202 HA SER 31 HA SER 31 -1.928 -4.980 -1.724 203 1HB SER 31 2HB SER 31 -0.360 -7.535 -1.330 204 2HB SER 31 1HB SER 31 -2.108 -7.381 -1.467 205 HG SER 31 HG SER 31 -0.206 -7.528 -3.428 206 H TYR 32 H TYR 32 -2.363 -3.966 0.172 207 HA TYR 32 HA TYR 32 -0.979 -4.967 2.578 208 1HB TYR 32 2HB TYR 32 -1.269 -2.816 3.608 209 2HB TYR 32 1HB TYR 32 -0.567 -2.553 2.018 210 HD1 TYR 32 HD2 TYR 32 -1.915 -1.533 0.221 211 HD2 TYR 32 HD1 TYR 32 -3.480 -2.022 4.145 212 HE1 TYR 32 HE2 TYR 32 -3.718 0.057 -0.293 213 HE2 TYR 32 HE1 TYR 32 -5.279 -0.432 3.634 214 HH TYR 32 HH TYR 32 -5.856 1.286 2.145 215 H HIS 33 H HIS 33 -2.401 -4.516 4.612 216 HA HIS 33 HA HIS 33 -5.183 -5.256 3.986 217 1HB HIS 33 2HB HIS 33 -3.652 -5.919 6.514 218 2HB HIS 33 1HB HIS 33 -5.291 -6.421 6.122 219 HD1 HIS 33 HD1 HIS 33 -2.147 -7.861 6.388 220 HD2 HIS 33 HD2 HIS 33 -5.044 -7.941 3.394 221 HE1 HIS 33 HE1 HIS 33 -1.660 -9.917 5.025 222 HE2 HIS 33 HE2 HIS 33 -3.331 -9.863 3.130 223 H ASP 34 H ASP 34 -6.675 -3.828 4.606 224 HA ASP 34 HA ASP 34 -6.064 -1.377 5.870 225 1HB ASP 34 2HB ASP 34 -8.401 -2.662 4.772 226 2HB ASP 34 1HB ASP 34 -8.800 -1.889 6.301 227 H GLN 35 H GLN 35 -7.052 -0.589 7.903 228 HA GLN 35 HA GLN 35 -6.590 -2.218 10.146 229 1HB GLN 35 2HB GLN 35 -7.804 -0.490 11.425 230 2HB GLN 35 1HB GLN 35 -6.629 0.218 10.325 231 1HG GLN 35 2HG GLN 35 -8.377 0.788 8.764 232 2HG GLN 35 1HG GLN 35 -9.579 -0.005 9.782 233 1HE2 GLN 35 1HE2 GLN 35 -7.558 2.762 9.356 234 2HE2 GLN 35 2HE2 GLN 35 -8.281 3.748 10.585 235 H GLN 36 H GLN 36 -9.267 -1.882 8.019 236 HA GLN 36 HA GLN 36 -11.256 -3.111 9.660 237 1HB GLN 36 2HB GLN 36 -11.147 -2.969 6.641 238 2HB GLN 36 1HB GLN 36 -12.572 -3.241 7.631 239 1HG GLN 36 2HG GLN 36 -12.449 -0.986 8.491 240 2HG GLN 36 1HG GLN 36 -10.947 -0.709 7.609 241 1HE2 GLN 36 1HE2 GLN 36 -11.769 0.982 6.400 242 2HE2 GLN 36 2HE2 GLN 36 -12.940 0.745 5.143 243 H GLY 37 H GLY 37 -8.704 -4.207 7.582 244 1HA GLY 37 2HA GLY 37 -7.855 -6.444 7.843 245 2HA GLY 37 1HA GLY 37 -9.502 -6.989 8.110 246 H ASN 38 H ASN 38 -9.426 -4.755 5.595 247 HA ASN 38 HA ASN 38 -10.030 -6.808 3.680 248 1HB ASN 38 2HB ASN 38 -9.624 -3.859 3.141 249 2HB ASN 38 1HB ASN 38 -10.420 -5.023 2.091 250 1HD2 ASN 38 1HD2 ASN 38 -10.822 -2.709 4.454 251 2HD2 ASN 38 2HD2 ASN 38 -12.478 -3.027 4.853 252 H ALA 39 H ALA 39 -8.889 -7.324 1.815 253 HA ALA 39 HA ALA 39 -6.031 -6.638 1.857 254 1HB ALA 39 1HB ALA 39 -6.584 -9.035 1.818 255 2HB ALA 39 2HB ALA 39 -5.722 -8.542 0.361 256 3HB ALA 39 3HB ALA 39 -7.467 -8.800 0.309 257 H MET 40 H MET 40 -5.410 -5.038 0.552 258 HA MET 40 HA MET 40 -6.761 -4.631 -1.995 259 1HB MET 40 2HB MET 40 -7.041 -2.162 -1.372 260 2HB MET 40 1HB MET 40 -8.175 -3.309 -0.667 261 1HG MET 40 2HG MET 40 -6.264 -3.303 1.226 262 2HG MET 40 1HG MET 40 -6.111 -1.657 0.613 263 1HE MET 40 1HE MET 40 -9.008 -0.855 -0.239 264 2HE MET 40 2HE MET 40 -7.981 0.170 0.762 265 3HE MET 40 3HE MET 40 -9.644 -0.165 1.252 266 H GLN 41 H GLN 41 -5.605 -3.404 -3.477 267 HA GLN 41 HA GLN 41 -2.730 -3.311 -2.852 268 1HB GLN 41 2HB GLN 41 -4.226 -3.656 -5.453 269 2HB GLN 41 1HB GLN 41 -2.501 -3.344 -5.386 270 1HG GLN 41 2HG GLN 41 -2.795 -5.666 -5.690 271 2HG GLN 41 1HG GLN 41 -2.256 -5.423 -4.033 272 1HE2 GLN 41 1HE2 GLN 41 -4.946 -6.290 -6.076 273 2HE2 GLN 41 2HE2 GLN 41 -5.900 -7.021 -4.831 274 H ILE 42 H ILE 42 -1.523 -1.499 -3.244 275 HA ILE 42 HA ILE 42 -2.776 0.695 -4.772 276 HB ILE 42 HB ILE 42 -1.418 2.325 -3.622 277 1HG1 ILE 42 2HG1 ILE 42 -0.443 0.282 -1.652 278 2HG1 ILE 42 1HG1 ILE 42 0.441 0.548 -3.152 279 1HG2 ILE 42 1HG2 ILE 42 -2.894 0.523 -1.731 280 2HG2 ILE 42 2HG2 ILE 42 -3.548 1.889 -2.629 281 3HG2 ILE 42 3HG2 ILE 42 -2.373 2.160 -1.341 282 1HD1 ILE 42 1HD1 ILE 42 0.751 2.868 -2.602 283 2HD1 ILE 42 2HD1 ILE 42 1.326 1.851 -1.276 284 3HD1 ILE 42 3HD1 ILE 42 -0.221 2.682 -1.143 285 H ASN 43 H ASN 43 -0.730 2.167 -5.571 286 HA ASN 43 HA ASN 43 0.783 0.323 -7.219 287 1HB ASN 43 2HB ASN 43 -0.224 2.558 -7.986 288 2HB ASN 43 1HB ASN 43 1.135 3.310 -7.160 289 1HD2 ASN 43 1HD2 ASN 43 0.160 1.329 -9.848 290 2HD2 ASN 43 2HD2 ASN 43 1.656 1.409 -10.709 291 H ARG 44 H ARG 44 2.992 0.006 -7.176 292 HA ARG 44 HA ARG 44 4.237 0.173 -4.642 293 1HB ARG 44 2HB ARG 44 4.769 -1.605 -6.213 294 2HB ARG 44 1HB ARG 44 5.408 -0.441 -7.363 295 1HG ARG 44 2HG ARG 44 6.685 -0.341 -4.733 296 2HG ARG 44 1HG ARG 44 6.887 -1.875 -5.582 297 1HD ARG 44 2HD ARG 44 7.492 0.841 -6.753 298 2HD ARG 44 1HD ARG 44 8.694 -0.245 -6.053 299 HE ARG 44 HE ARG 44 8.167 -1.831 -7.843 300 1HH1 ARG 44 1HH1 ARG 44 7.238 1.526 -8.275 301 2HH1 ARG 44 2HH1 ARG 44 7.068 1.390 -10.001 302 1HH2 ARG 44 1HH2 ARG 44 7.986 -1.995 -10.114 303 2HH2 ARG 44 2HH2 ARG 44 7.521 -0.604 -11.046 304 H ASP 45 H ASP 45 4.241 2.311 -7.396 305 HA ASP 45 HA ASP 45 6.521 3.806 -6.393 306 1HB ASP 45 2HB ASP 45 6.099 3.477 -8.849 307 2HB ASP 45 1HB ASP 45 4.694 4.527 -8.692 308 H ASP 46 H ASP 46 3.351 3.609 -5.584 309 HA ASP 46 HA ASP 46 2.941 6.466 -5.145 310 1HB ASP 46 2HB ASP 46 1.140 4.895 -6.049 311 2HB ASP 46 1HB ASP 46 1.047 4.225 -4.425 312 H VAL 47 H VAL 47 4.421 3.979 -3.608 313 HA VAL 47 HA VAL 47 3.590 4.581 -0.891 314 HB VAL 47 HB VAL 47 5.969 2.888 -1.607 315 1HG1 VAL 47 1HG1 VAL 47 5.522 3.391 0.751 316 2HG1 VAL 47 2HG1 VAL 47 5.372 1.671 0.395 317 3HG1 VAL 47 3HG1 VAL 47 3.925 2.658 0.592 318 1HG2 VAL 47 1HG2 VAL 47 4.181 2.134 -3.079 319 2HG2 VAL 47 2HG2 VAL 47 3.100 1.975 -1.696 320 3HG2 VAL 47 3HG2 VAL 47 4.520 0.941 -1.828 321 H SER 48 H SER 48 4.988 5.473 0.709 322 HA SER 48 HA SER 48 7.349 6.861 -0.363 323 1HB SER 48 2HB SER 48 5.638 8.527 -0.137 324 2HB SER 48 1HB SER 48 5.225 7.973 1.482 325 HG SER 48 HG SER 48 7.837 8.878 0.891 326 H GLN 49 H GLN 49 5.780 6.112 2.781 327 HA GLN 49 HA GLN 49 8.404 5.212 3.746 328 1HB GLN 49 2HB GLN 49 7.232 7.647 4.472 329 2HB GLN 49 1HB GLN 49 6.909 6.573 5.826 330 1HG GLN 49 2HG GLN 49 9.617 7.131 4.636 331 2HG GLN 49 1HG GLN 49 8.979 7.829 6.124 332 1HE2 GLN 49 1HE2 GLN 49 8.885 6.589 7.971 333 2HE2 GLN 49 2HE2 GLN 49 9.664 5.051 8.093 334 H ILE 50 H ILE 50 8.359 3.636 5.330 335 HA ILE 50 HA ILE 50 5.723 2.602 6.131 336 HB ILE 50 HB ILE 50 7.995 0.869 5.120 337 1HG1 ILE 50 2HG1 ILE 50 5.269 1.389 3.904 338 2HG1 ILE 50 1HG1 ILE 50 6.784 2.065 3.313 339 1HG2 ILE 50 1HG2 ILE 50 6.395 -0.983 5.382 340 2HG2 ILE 50 2HG2 ILE 50 5.239 0.137 6.104 341 3HG2 ILE 50 3HG2 ILE 50 6.767 -0.200 6.918 342 1HD1 ILE 50 1HD1 ILE 50 7.585 -0.189 2.807 343 2HD1 ILE 50 2HD1 ILE 50 6.079 0.178 1.964 344 3HD1 ILE 50 3HD1 ILE 50 6.060 -0.858 3.393 345 H ILE 51 H ILE 51 9.228 2.051 6.581 346 HA ILE 51 HA ILE 51 8.700 1.813 9.462 347 HB ILE 51 HB ILE 51 10.886 0.577 9.577 348 1HG1 ILE 51 2HG1 ILE 51 10.537 0.419 6.574 349 2HG1 ILE 51 1HG1 ILE 51 11.798 1.325 7.402 350 1HG2 ILE 51 1HG2 ILE 51 9.914 -1.541 8.850 351 2HG2 ILE 51 2HG2 ILE 51 8.695 -0.667 7.924 352 3HG2 ILE 51 3HG2 ILE 51 8.720 -0.542 9.682 353 1HD1 ILE 51 1HD1 ILE 51 12.603 -0.810 6.521 354 2HD1 ILE 51 2HD1 ILE 51 11.430 -1.658 7.529 355 3HD1 ILE 51 3HD1 ILE 51 12.728 -0.732 8.279 356 H GLU 52 H GLU 52 9.416 3.389 10.689 357 HA GLU 52 HA GLU 52 10.743 5.648 9.759 358 1HB GLU 52 2HB GLU 52 10.419 4.556 12.550 359 2HB GLU 52 1HB GLU 52 11.144 6.123 12.216 360 1HG GLU 52 2HG GLU 52 8.375 5.333 11.352 361 2HG GLU 52 1HG GLU 52 8.739 6.202 12.842 362 H ARG 53 H ARG 53 12.164 3.422 12.161 363 HA ARG 53 HA ARG 53 14.730 3.708 10.758 364 1HB ARG 53 2HB ARG 53 14.333 3.790 13.758 365 2HB ARG 53 1HB ARG 53 15.888 3.786 12.937 366 1HG ARG 53 2HG ARG 53 13.785 5.934 12.744 367 2HG ARG 53 1HG ARG 53 15.291 6.020 13.658 368 1HD ARG 53 2HD ARG 53 16.590 5.925 11.639 369 2HD ARG 53 1HD ARG 53 15.148 5.620 10.672 370 HE ARG 53 HE ARG 53 15.378 8.133 12.177 371 1HH1 ARG 53 1HH1 ARG 53 15.241 6.457 9.095 372 2HH1 ARG 53 2HH1 ARG 53 14.962 7.909 8.180 373 1HH2 ARG 53 1HH2 ARG 53 14.980 10.028 10.966 374 2HH2 ARG 53 2HH2 ARG 53 14.803 9.920 9.240 Start of MODEL 10 1 H ASP 4 H ASP 4 5.036 -3.713 11.166 2 HA ASP 4 HA ASP 4 5.120 -1.039 10.051 3 1HB ASP 4 2HB ASP 4 5.454 -2.278 8.022 4 2HB ASP 4 1HB ASP 4 4.187 -3.424 8.445 5 H TYR 5 H TYR 5 3.131 -0.003 10.078 6 HA TYR 5 HA TYR 5 0.692 -1.258 10.703 7 1HB TYR 5 2HB TYR 5 0.335 -0.399 12.981 8 2HB TYR 5 1HB TYR 5 1.661 -1.552 12.920 9 HD1 TYR 5 HD1 TYR 5 4.031 -0.685 13.036 10 HD2 TYR 5 HD2 TYR 5 0.657 1.806 13.769 11 HE1 TYR 5 HE1 TYR 5 5.480 0.935 14.187 12 HE2 TYR 5 HE2 TYR 5 2.098 3.431 14.915 13 HH TYR 5 HH TYR 5 5.496 3.306 14.769 14 H VAL 6 H VAL 6 2.581 1.318 9.811 15 HA VAL 6 HA VAL 6 0.229 2.903 9.186 16 HB VAL 6 HB VAL 6 2.610 4.060 10.663 17 1HG1 VAL 6 1HG1 VAL 6 1.524 6.243 10.373 18 2HG1 VAL 6 2HG1 VAL 6 0.308 5.494 9.340 19 3HG1 VAL 6 3HG1 VAL 6 1.996 5.533 8.831 20 1HG2 VAL 6 1HG2 VAL 6 0.940 3.098 12.146 21 2HG2 VAL 6 2HG2 VAL 6 -0.331 4.014 11.341 22 3HG2 VAL 6 3HG2 VAL 6 0.914 4.858 12.259 23 H MET 7 H MET 7 0.340 3.027 7.059 24 HA MET 7 HA MET 7 2.959 3.205 5.757 25 1HB MET 7 2HB MET 7 1.502 1.469 4.893 26 2HB MET 7 1HB MET 7 0.208 2.630 4.639 27 1HG MET 7 2HG MET 7 1.636 3.790 2.983 28 2HG MET 7 1HG MET 7 2.839 2.519 3.185 29 1HE MET 7 1HE MET 7 2.378 -0.039 2.564 30 2HE MET 7 2HE MET 7 0.859 -0.621 1.887 31 3HE MET 7 3HE MET 7 0.917 -0.031 3.549 32 H ALA 8 H ALA 8 3.693 5.179 5.363 33 HA ALA 8 HA ALA 8 1.795 7.341 4.800 34 1HB ALA 8 1HB ALA 8 3.712 8.842 5.106 35 2HB ALA 8 2HB ALA 8 4.764 7.448 5.347 36 3HB ALA 8 3HB ALA 8 3.484 7.795 6.507 37 H THR 9 H THR 9 1.272 7.528 2.714 38 HA THR 9 HA THR 9 3.056 6.419 0.697 39 HB THR 9 HB THR 9 1.163 7.011 -0.863 40 HG1 THR 9 HG1 THR 9 -0.359 7.416 1.488 41 1HG2 THR 9 1HG2 THR 9 0.505 5.280 1.529 42 2HG2 THR 9 2HG2 THR 9 1.379 4.767 0.087 43 3HG2 THR 9 3HG2 THR 9 -0.318 5.231 -0.030 44 H LYS 10 H LYS 10 2.895 7.722 -1.480 45 HA LYS 10 HA LYS 10 4.466 10.048 -1.278 46 1HB LYS 10 2HB LYS 10 4.438 8.547 -3.217 47 2HB LYS 10 1HB LYS 10 2.768 8.975 -3.540 48 1HG LYS 10 2HG LYS 10 3.390 11.202 -4.144 49 2HG LYS 10 1HG LYS 10 5.059 10.922 -3.633 50 1HD LYS 10 2HD LYS 10 4.788 10.761 -6.084 51 2HD LYS 10 1HD LYS 10 5.342 9.246 -5.365 52 1HE LYS 10 2HE LYS 10 2.987 8.453 -5.362 53 2HE LYS 10 1HE LYS 10 2.528 9.924 -6.215 54 1HZ LYS 10 1HZ LYS 10 4.405 7.850 -7.211 55 2HZ LYS 10 2HZ LYS 10 3.991 9.272 -8.031 56 3HZ LYS 10 3HZ LYS 10 2.812 8.091 -7.736 57 H ASP 11 H ASP 11 1.024 9.521 -1.808 58 HA ASP 11 HA ASP 11 0.189 12.139 -2.289 59 1HB ASP 11 2HB ASP 11 -1.354 10.380 -2.696 60 2HB ASP 11 1HB ASP 11 -1.204 9.763 -1.057 61 H GLY 12 H GLY 12 0.767 10.441 0.727 62 1HA GLY 12 2HA GLY 12 1.509 11.729 2.648 63 2HA GLY 12 1HA GLY 12 0.390 12.995 2.153 64 H ARG 13 H ARG 13 -1.288 10.334 1.530 65 HA ARG 13 HA ARG 13 -2.905 10.496 3.849 66 1HB ARG 13 2HB ARG 13 -4.028 8.443 2.893 67 2HB ARG 13 1HB ARG 13 -3.990 9.845 1.836 68 1HG ARG 13 2HG ARG 13 -1.988 8.843 0.733 69 2HG ARG 13 1HG ARG 13 -2.272 7.389 1.682 70 1HD ARG 13 2HD ARG 13 -4.342 6.984 0.620 71 2HD ARG 13 1HD ARG 13 -4.378 8.598 -0.087 72 HE ARG 13 HE ARG 13 -2.311 6.652 -0.882 73 1HH1 ARG 13 1HH1 ARG 13 -4.947 8.810 -1.671 74 2HH1 ARG 13 2HH1 ARG 13 -4.722 8.670 -3.382 75 1HH2 ARG 13 1HH2 ARG 13 -1.956 6.490 -3.134 76 2HH2 ARG 13 2HH2 ARG 13 -3.007 7.360 -4.215 77 H MET 14 H MET 14 -2.961 9.356 5.635 78 HA MET 14 HA MET 14 -0.719 7.575 6.200 79 1HB MET 14 2HB MET 14 -1.932 9.591 7.642 80 2HB MET 14 1HB MET 14 -2.631 8.146 8.355 81 1HG MET 14 2HG MET 14 -0.712 8.770 9.614 82 2HG MET 14 1HG MET 14 -0.345 7.287 8.738 83 1HE MET 14 1HE MET 14 3.058 9.347 8.924 84 2HE MET 14 2HE MET 14 2.264 7.837 9.376 85 3HE MET 14 3HE MET 14 1.761 9.355 10.123 86 H ILE 15 H ILE 15 -1.199 5.568 5.448 87 HA ILE 15 HA ILE 15 -3.896 4.532 5.749 88 HB ILE 15 HB ILE 15 -1.455 3.214 4.557 89 1HG1 ILE 15 2HG1 ILE 15 -3.801 4.590 3.226 90 2HG1 ILE 15 1HG1 ILE 15 -2.161 5.223 3.314 91 1HG2 ILE 15 1HG2 ILE 15 -3.095 1.600 5.352 92 2HG2 ILE 15 2HG2 ILE 15 -3.054 1.628 3.588 93 3HG2 ILE 15 3HG2 ILE 15 -4.362 2.436 4.454 94 1HD1 ILE 15 1HD1 ILE 15 -2.610 4.271 1.137 95 2HD1 ILE 15 2HD1 ILE 15 -3.024 2.727 1.877 96 3HD1 ILE 15 3HD1 ILE 15 -1.374 3.337 1.974 97 H LEU 16 H LEU 16 -4.506 3.539 7.533 98 HA LEU 16 HA LEU 16 -2.614 2.564 9.459 99 1HB LEU 16 2HB LEU 16 -5.630 2.430 9.340 100 2HB LEU 16 1HB LEU 16 -4.692 1.749 10.652 101 HG LEU 16 HG LEU 16 -5.513 3.831 11.411 102 1HD1 LEU 16 1HD1 LEU 16 -2.644 4.195 10.577 103 2HD1 LEU 16 2HD1 LEU 16 -3.220 3.393 12.039 104 3HD1 LEU 16 3HD1 LEU 16 -3.480 5.124 11.822 105 1HD2 LEU 16 1HD2 LEU 16 -6.102 4.797 9.244 106 2HD2 LEU 16 2HD2 LEU 16 -4.397 5.107 8.918 107 3HD2 LEU 16 3HD2 LEU 16 -5.206 5.940 10.245 108 H THR 17 H THR 17 -1.479 0.921 8.484 109 HA THR 17 HA THR 17 -2.932 -1.258 7.262 110 HB THR 17 HB THR 17 -0.528 -2.180 6.998 111 HG1 THR 17 HG1 THR 17 1.108 -0.836 7.461 112 1HG2 THR 17 1HG2 THR 17 -1.335 0.389 5.615 113 2HG2 THR 17 2HG2 THR 17 -1.837 -1.234 5.149 114 3HG2 THR 17 3HG2 THR 17 -0.142 -0.768 5.024 115 H ASP 18 H ASP 18 -3.352 -3.171 8.177 116 HA ASP 18 HA ASP 18 -3.075 -3.720 10.898 117 1HB ASP 18 2HB ASP 18 -4.597 -4.906 9.287 118 2HB ASP 18 1HB ASP 18 -3.191 -5.760 8.663 119 H GLY 19 H GLY 19 -1.078 -4.709 8.153 120 1HA GLY 19 2HA GLY 19 1.221 -3.658 9.017 121 2HA GLY 19 1HA GLY 19 1.213 -5.206 9.853 122 H LYS 20 H LYS 20 2.806 -3.938 7.384 123 HA LYS 20 HA LYS 20 4.157 -5.190 6.049 124 1HB LYS 20 2HB LYS 20 3.754 -7.105 7.648 125 2HB LYS 20 1HB LYS 20 2.510 -7.656 6.530 126 1HG LYS 20 2HG LYS 20 4.063 -8.049 4.818 127 2HG LYS 20 1HG LYS 20 5.321 -7.121 5.636 128 1HD LYS 20 2HD LYS 20 5.300 -8.847 7.449 129 2HD LYS 20 1HD LYS 20 4.201 -9.802 6.449 130 1HE LYS 20 2HE LYS 20 5.846 -9.998 4.720 131 2HE LYS 20 1HE LYS 20 6.912 -8.856 5.540 132 1HZ LYS 20 1HZ LYS 20 6.150 -11.554 6.537 133 2HZ LYS 20 2HZ LYS 20 7.123 -10.445 7.366 134 3HZ LYS 20 3HZ LYS 20 7.657 -11.109 5.902 135 HA PRO 21 HA PRO 21 1.424 -4.619 2.512 136 1HB PRO 21 2HB PRO 21 3.793 -3.463 1.282 137 2HB PRO 21 1HB PRO 21 2.241 -2.699 1.633 138 1HG PRO 21 2HG PRO 21 4.540 -2.067 2.940 139 2HG PRO 21 1HG PRO 21 2.933 -1.930 3.671 140 1HD PRO 21 2HD PRO 21 4.995 -4.073 4.014 141 2HD PRO 21 1HD PRO 21 3.919 -3.336 5.221 142 H GLU 22 H GLU 22 1.183 -6.280 1.156 143 HA GLU 22 HA GLU 22 3.431 -8.008 0.543 144 1HB GLU 22 2HB GLU 22 0.994 -8.759 1.023 145 2HB GLU 22 1HB GLU 22 0.672 -8.262 -0.632 146 1HG GLU 22 2HG GLU 22 1.078 -10.602 -0.630 147 2HG GLU 22 1HG GLU 22 2.467 -9.815 -1.380 148 H ILE 23 H ILE 23 4.792 -7.042 -0.856 149 HA ILE 23 HA ILE 23 3.689 -5.418 -3.003 150 HB ILE 23 HB ILE 23 6.593 -5.854 -2.285 151 1HG1 ILE 23 2HG1 ILE 23 4.713 -3.613 -1.501 152 2HG1 ILE 23 1HG1 ILE 23 5.344 -4.849 -0.419 153 1HG2 ILE 23 1HG2 ILE 23 6.964 -3.808 -3.583 154 2HG2 ILE 23 2HG2 ILE 23 5.246 -3.755 -3.983 155 3HG2 ILE 23 3HG2 ILE 23 6.246 -5.082 -4.571 156 1HD1 ILE 23 1HD1 ILE 23 7.613 -4.004 -0.808 157 2HD1 ILE 23 2HD1 ILE 23 6.544 -2.780 -0.124 158 3HD1 ILE 23 3HD1 ILE 23 6.948 -2.739 -1.841 159 H ASP 24 H ASP 24 3.182 -6.382 -4.834 160 HA ASP 24 HA ASP 24 4.727 -8.650 -5.808 161 1HB ASP 24 2HB ASP 24 2.261 -7.246 -6.833 162 2HB ASP 24 1HB ASP 24 3.100 -8.480 -7.768 163 H ASP 25 H ASP 25 6.631 -8.131 -6.623 164 HA ASP 25 HA ASP 25 7.235 -5.434 -7.333 165 1HB ASP 25 2HB ASP 25 8.752 -7.053 -6.121 166 2HB ASP 25 1HB ASP 25 8.993 -7.872 -7.658 167 H ASP 26 H ASP 26 6.508 -8.346 -9.101 168 HA ASP 26 HA ASP 26 7.687 -7.587 -11.559 169 1HB ASP 26 2HB ASP 26 5.435 -9.522 -10.995 170 2HB ASP 26 1HB ASP 26 6.178 -9.320 -12.575 171 H THR 27 H THR 27 4.367 -7.287 -10.332 172 HA THR 27 HA THR 27 3.615 -5.815 -12.736 173 HB THR 27 HB THR 27 2.044 -7.506 -12.012 174 HG1 THR 27 HG1 THR 27 1.372 -4.825 -12.073 175 1HG2 THR 27 1HG2 THR 27 0.844 -7.343 -9.888 176 2HG2 THR 27 2HG2 THR 27 1.829 -5.951 -9.436 177 3HG2 THR 27 3HG2 THR 27 2.577 -7.536 -9.627 178 H GLY 28 H GLY 28 4.559 -5.174 -9.492 179 1HA GLY 28 2HA GLY 28 5.119 -3.083 -8.631 180 2HA GLY 28 1HA GLY 28 4.338 -2.334 -10.018 181 H LEU 29 H LEU 29 2.765 -4.724 -8.005 182 HA LEU 29 HA LEU 29 0.915 -2.624 -7.099 183 1HB LEU 29 2HB LEU 29 0.394 -5.595 -7.283 184 2HB LEU 29 1HB LEU 29 -0.774 -4.360 -6.860 185 HG LEU 29 HG LEU 29 0.518 -4.765 -9.556 186 1HD1 LEU 29 1HD1 LEU 29 -1.769 -5.252 -10.283 187 2HD1 LEU 29 2HD1 LEU 29 -2.324 -5.107 -8.618 188 3HD1 LEU 29 3HD1 LEU 29 -1.206 -6.392 -9.066 189 1HD2 LEU 29 1HD2 LEU 29 -1.487 -2.680 -8.715 190 2HD2 LEU 29 2HD2 LEU 29 -0.895 -2.959 -10.352 191 3HD2 LEU 29 3HD2 LEU 29 0.209 -2.387 -9.102 192 H VAL 30 H VAL 30 0.550 -2.346 -4.956 193 HA VAL 30 HA VAL 30 2.049 -4.122 -3.135 194 HB VAL 30 HB VAL 30 1.332 -1.212 -2.734 195 1HG1 VAL 30 1HG1 VAL 30 2.802 -1.370 -0.757 196 2HG1 VAL 30 2HG1 VAL 30 2.920 -3.110 -1.014 197 3HG1 VAL 30 3HG1 VAL 30 1.363 -2.378 -0.623 198 1HG2 VAL 30 1HG2 VAL 30 3.742 -0.807 -2.913 199 2HG2 VAL 30 2HG2 VAL 30 3.075 -1.479 -4.399 200 3HG2 VAL 30 3HG2 VAL 30 3.992 -2.509 -3.302 201 H SER 31 H SER 31 0.630 -5.524 -2.315 202 HA SER 31 HA SER 31 -2.106 -4.734 -1.805 203 1HB SER 31 2HB SER 31 -1.530 -6.981 -2.749 204 2HB SER 31 1HB SER 31 -0.767 -7.383 -1.213 205 HG SER 31 HG SER 31 -3.464 -6.540 -1.404 206 H TYR 32 H TYR 32 -2.315 -3.454 -0.109 207 HA TYR 32 HA TYR 32 -0.875 -4.065 2.360 208 1HB TYR 32 2HB TYR 32 -1.566 -1.840 3.118 209 2HB TYR 32 1HB TYR 32 -0.734 -1.743 1.572 210 HD1 TYR 32 HD2 TYR 32 -2.395 -1.871 -0.523 211 HD2 TYR 32 HD1 TYR 32 -3.485 -0.588 3.375 212 HE1 TYR 32 HE2 TYR 32 -4.297 -0.642 -1.470 213 HE2 TYR 32 HE1 TYR 32 -5.391 0.652 2.436 214 HH TYR 32 HH TYR 32 -6.001 1.684 0.207 215 H HIS 33 H HIS 33 -2.273 -3.505 4.385 216 HA HIS 33 HA HIS 33 -4.897 -4.795 4.056 217 1HB HIS 33 2HB HIS 33 -2.939 -5.369 6.300 218 2HB HIS 33 1HB HIS 33 -4.512 -6.120 6.070 219 HD1 HIS 33 HD1 HIS 33 -1.001 -6.661 5.406 220 HD2 HIS 33 HD2 HIS 33 -4.573 -7.700 3.543 221 HE1 HIS 33 HE1 HIS 33 -0.429 -8.541 3.844 222 HE2 HIS 33 HE2 HIS 33 -2.626 -9.253 2.841 223 H ASP 34 H ASP 34 -6.360 -3.333 4.656 224 HA ASP 34 HA ASP 34 -5.912 -1.092 6.282 225 1HB ASP 34 2HB ASP 34 -8.156 -2.298 4.954 226 2HB ASP 34 1HB ASP 34 -8.626 -1.808 6.577 227 H GLN 35 H GLN 35 -6.704 -0.591 8.347 228 HA GLN 35 HA GLN 35 -6.461 -2.453 10.421 229 1HB GLN 35 2HB GLN 35 -7.686 -0.703 11.759 230 2HB GLN 35 1HB GLN 35 -6.291 -0.100 10.875 231 1HG GLN 35 2HG GLN 35 -7.834 0.673 9.090 232 2HG GLN 35 1HG GLN 35 -9.186 0.205 10.120 233 1HE2 GLN 35 1HE2 GLN 35 -8.492 2.811 9.080 234 2HE2 GLN 35 2HE2 GLN 35 -8.273 3.839 10.456 235 H GLN 36 H GLN 36 -9.094 -1.597 8.334 236 HA GLN 36 HA GLN 36 -11.178 -2.905 9.770 237 1HB GLN 36 2HB GLN 36 -11.593 -1.131 8.117 238 2HB GLN 36 1HB GLN 36 -10.949 -2.158 6.847 239 1HG GLN 36 2HG GLN 36 -13.302 -2.219 6.676 240 2HG GLN 36 1HG GLN 36 -12.793 -3.773 7.333 241 1HE2 GLN 36 1HE2 GLN 36 -13.277 -4.276 9.476 242 2HE2 GLN 36 2HE2 GLN 36 -14.456 -3.389 10.380 243 H GLY 37 H GLY 37 -8.592 -3.998 7.826 244 1HA GLY 37 2HA GLY 37 -8.041 -6.303 7.612 245 2HA GLY 37 1HA GLY 37 -9.750 -6.695 7.748 246 H ASN 38 H ASN 38 -8.949 -4.070 5.719 247 HA ASN 38 HA ASN 38 -9.922 -5.486 3.404 248 1HB ASN 38 2HB ASN 38 -8.870 -2.660 3.695 249 2HB ASN 38 1HB ASN 38 -9.626 -3.311 2.246 250 1HD2 ASN 38 1HD2 ASN 38 -10.345 -1.076 4.022 251 2HD2 ASN 38 2HD2 ASN 38 -11.986 -1.390 4.499 252 H ALA 39 H ALA 39 -8.590 -6.770 2.282 253 HA ALA 39 HA ALA 39 -5.764 -6.097 2.060 254 1HB ALA 39 1HB ALA 39 -6.416 -8.446 2.409 255 2HB ALA 39 2HB ALA 39 -5.536 -8.223 0.896 256 3HB ALA 39 3HB ALA 39 -7.289 -8.419 0.875 257 H MET 40 H MET 40 -5.689 -4.266 0.822 258 HA MET 40 HA MET 40 -6.911 -4.432 -1.855 259 1HB MET 40 2HB MET 40 -6.448 -1.999 -0.115 260 2HB MET 40 1HB MET 40 -7.001 -1.934 -1.785 261 1HG MET 40 2HG MET 40 -8.964 -3.277 -1.141 262 2HG MET 40 1HG MET 40 -8.427 -3.213 0.535 263 1HE MET 40 1HE MET 40 -7.427 -0.328 1.035 264 2HE MET 40 2HE MET 40 -8.591 -1.154 2.074 265 3HE MET 40 3HE MET 40 -8.918 0.488 1.513 266 H GLN 41 H GLN 41 -5.699 -2.649 -3.330 267 HA GLN 41 HA GLN 41 -2.827 -3.165 -2.979 268 1HB GLN 41 2HB GLN 41 -4.410 -3.615 -5.516 269 2HB GLN 41 1HB GLN 41 -2.657 -3.700 -5.391 270 1HG GLN 41 2HG GLN 41 -2.835 -5.552 -3.834 271 2HG GLN 41 1HG GLN 41 -4.593 -5.461 -3.906 272 1HE2 GLN 41 1HE2 GLN 41 -4.583 -4.884 -6.775 273 2HE2 GLN 41 2HE2 GLN 41 -4.215 -6.383 -7.563 274 H ILE 42 H ILE 42 -1.737 -1.347 -3.019 275 HA ILE 42 HA ILE 42 -2.682 0.890 -4.674 276 HB ILE 42 HB ILE 42 -1.048 2.289 -3.543 277 1HG1 ILE 42 2HG1 ILE 42 -0.287 -0.007 -1.759 278 2HG1 ILE 42 1HG1 ILE 42 0.573 0.293 -3.266 279 1HG2 ILE 42 1HG2 ILE 42 -3.203 2.045 -2.449 280 2HG2 ILE 42 2HG2 ILE 42 -1.916 2.234 -1.255 281 3HG2 ILE 42 3HG2 ILE 42 -2.610 0.641 -1.559 282 1HD1 ILE 42 1HD1 ILE 42 1.708 1.281 -1.360 283 2HD1 ILE 42 2HD1 ILE 42 0.276 2.248 -1.005 284 3HD1 ILE 42 3HD1 ILE 42 1.170 2.510 -2.506 285 H ASN 43 H ASN 43 -0.582 2.147 -5.540 286 HA ASN 43 HA ASN 43 0.833 0.231 -7.202 287 1HB ASN 43 2HB ASN 43 0.346 3.151 -7.286 288 2HB ASN 43 1HB ASN 43 1.882 2.603 -7.939 289 1HD2 ASN 43 1HD2 ASN 43 0.828 0.048 -8.837 290 2HD2 ASN 43 2HD2 ASN 43 -0.148 0.385 -10.223 291 H ARG 44 H ARG 44 3.029 -0.086 -7.212 292 HA ARG 44 HA ARG 44 4.462 0.210 -4.799 293 1HB ARG 44 2HB ARG 44 4.838 -1.534 -6.561 294 2HB ARG 44 1HB ARG 44 5.557 -0.298 -7.576 295 1HG ARG 44 2HG ARG 44 6.705 -0.647 -4.874 296 2HG ARG 44 1HG ARG 44 6.986 -1.934 -6.045 297 1HD ARG 44 2HD ARG 44 7.684 0.986 -6.347 298 2HD ARG 44 1HD ARG 44 8.808 -0.354 -6.126 299 HE ARG 44 HE ARG 44 7.202 0.160 -8.547 300 1HH1 ARG 44 1HH1 ARG 44 9.894 -1.426 -6.948 301 2HH1 ARG 44 2HH1 ARG 44 10.642 -1.939 -8.432 302 1HH2 ARG 44 1HH2 ARG 44 8.166 -0.530 -10.496 303 2HH2 ARG 44 2HH2 ARG 44 9.655 -1.428 -10.456 304 H ASP 45 H ASP 45 3.873 2.314 -7.386 305 HA ASP 45 HA ASP 45 6.164 4.032 -6.930 306 1HB ASP 45 2HB ASP 45 5.245 3.632 -9.209 307 2HB ASP 45 1HB ASP 45 3.755 4.430 -8.724 308 H ASP 46 H ASP 46 3.043 3.639 -5.667 309 HA ASP 46 HA ASP 46 2.682 6.459 -5.013 310 1HB ASP 46 2HB ASP 46 0.726 5.191 -5.792 311 2HB ASP 46 1HB ASP 46 0.896 4.086 -4.431 312 H VAL 47 H VAL 47 3.462 3.413 -3.472 313 HA VAL 47 HA VAL 47 3.332 4.406 -0.801 314 HB VAL 47 HB VAL 47 3.261 1.982 -1.330 315 1HG1 VAL 47 1HG1 VAL 47 5.344 0.784 -1.826 316 2HG1 VAL 47 2HG1 VAL 47 6.175 2.331 -1.998 317 3HG1 VAL 47 3HG1 VAL 47 4.883 1.894 -3.118 318 1HG2 VAL 47 1HG2 VAL 47 3.842 2.694 0.921 319 2HG2 VAL 47 2HG2 VAL 47 5.543 2.779 0.469 320 3HG2 VAL 47 3HG2 VAL 47 4.712 1.225 0.483 321 H SER 48 H SER 48 5.045 5.127 0.526 322 HA SER 48 HA SER 48 7.523 5.825 -0.873 323 1HB SER 48 2HB SER 48 5.960 7.746 -1.047 324 2HB SER 48 1HB SER 48 5.864 7.808 0.711 325 HG SER 48 HG SER 48 8.093 8.332 -0.965 326 H GLN 49 H GLN 49 5.980 6.418 2.311 327 HA GLN 49 HA GLN 49 8.532 5.587 3.522 328 1HB GLN 49 2HB GLN 49 6.548 7.693 4.361 329 2HB GLN 49 1HB GLN 49 7.775 7.069 5.453 330 1HG GLN 49 2HG GLN 49 8.532 8.187 2.784 331 2HG GLN 49 1HG GLN 49 8.228 9.248 4.156 332 1HE2 GLN 49 1HE2 GLN 49 9.636 6.073 4.543 333 2HE2 GLN 49 2HE2 GLN 49 11.215 6.618 4.977 334 H ILE 50 H ILE 50 8.407 3.707 4.494 335 HA ILE 50 HA ILE 50 5.966 3.017 5.984 336 HB ILE 50 HB ILE 50 8.365 1.265 5.340 337 1HG1 ILE 50 2HG1 ILE 50 7.171 1.881 3.287 338 2HG1 ILE 50 1HG1 ILE 50 6.940 0.177 3.661 339 1HG2 ILE 50 1HG2 ILE 50 6.920 -0.598 6.011 340 2HG2 ILE 50 2HG2 ILE 50 5.642 0.543 6.426 341 3HG2 ILE 50 3HG2 ILE 50 7.154 0.546 7.334 342 1HD1 ILE 50 1HD1 ILE 50 4.964 2.394 4.152 343 2HD1 ILE 50 2HD1 ILE 50 4.727 0.702 4.588 344 3HD1 ILE 50 3HD1 ILE 50 4.876 1.164 2.892 345 H ILE 51 H ILE 51 6.416 2.187 8.253 346 HA ILE 51 HA ILE 51 8.537 3.744 9.474 347 HB ILE 51 HB ILE 51 6.674 1.805 10.859 348 1HG1 ILE 51 2HG1 ILE 51 6.345 4.780 10.399 349 2HG1 ILE 51 1HG1 ILE 51 5.405 3.517 9.614 350 1HG2 ILE 51 1HG2 ILE 51 8.650 2.440 12.148 351 2HG2 ILE 51 2HG2 ILE 51 7.194 3.153 12.844 352 3HG2 ILE 51 3HG2 ILE 51 8.288 4.146 11.879 353 1HD1 ILE 51 1HD1 ILE 51 5.434 4.109 12.563 354 2HD1 ILE 51 2HD1 ILE 51 4.481 2.858 11.762 355 3HD1 ILE 51 3HD1 ILE 51 4.169 4.560 11.420 356 H GLU 52 H GLU 52 10.099 2.517 8.121 357 HA GLU 52 HA GLU 52 10.519 -0.248 8.403 358 1HB GLU 52 2HB GLU 52 12.553 1.864 7.657 359 2HB GLU 52 1HB GLU 52 12.710 0.139 7.373 360 1HG GLU 52 2HG GLU 52 11.965 0.664 5.329 361 2HG GLU 52 1HG GLU 52 10.382 0.628 6.104 362 H ARG 53 H ARG 53 11.888 2.509 10.117 363 HA ARG 53 HA ARG 53 13.237 0.620 11.918 364 1HB ARG 53 2HB ARG 53 14.617 2.389 10.705 365 2HB ARG 53 1HB ARG 53 13.823 3.573 11.737 366 1HG ARG 53 2HG ARG 53 15.940 3.013 12.700 367 2HG ARG 53 1HG ARG 53 14.665 2.339 13.718 368 1HD ARG 53 2HD ARG 53 14.987 0.185 12.372 369 2HD ARG 53 1HD ARG 53 16.487 0.915 11.801 370 HE ARG 53 HE ARG 53 15.995 0.635 14.687 371 1HH1 ARG 53 1HH1 ARG 53 17.938 -0.001 11.847 372 2HH1 ARG 53 2HH1 ARG 53 19.157 -0.893 12.714 373 1HH2 ARG 53 1HH2 ARG 53 17.589 -0.542 15.845 374 2HH2 ARG 53 2HH2 ARG 53 18.967 -1.173 14.995 Start of MODEL 11 1 H ASP 4 H ASP 4 -0.947 2.526 15.763 2 HA ASP 4 HA ASP 4 0.088 -0.142 15.437 3 1HB ASP 4 2HB ASP 4 -1.797 -0.385 13.806 4 2HB ASP 4 1HB ASP 4 -2.304 0.107 15.418 5 H TYR 5 H TYR 5 0.085 -0.907 12.988 6 HA TYR 5 HA TYR 5 2.432 0.261 11.908 7 1HB TYR 5 2HB TYR 5 0.590 -1.628 10.442 8 2HB TYR 5 1HB TYR 5 2.324 -1.429 10.232 9 HD1 TYR 5 HD1 TYR 5 3.879 -2.287 12.010 10 HD2 TYR 5 HD2 TYR 5 -0.295 -3.123 12.049 11 HE1 TYR 5 HE1 TYR 5 4.269 -4.158 13.561 12 HE2 TYR 5 HE2 TYR 5 0.084 -4.988 13.602 13 HH TYR 5 HH TYR 5 2.884 -5.432 15.325 14 H VAL 6 H VAL 6 2.662 1.760 10.329 15 HA VAL 6 HA VAL 6 0.237 2.695 8.979 16 HB VAL 6 HB VAL 6 1.098 5.047 9.220 17 1HG1 VAL 6 1HG1 VAL 6 0.221 5.327 11.488 18 2HG1 VAL 6 2HG1 VAL 6 0.343 3.585 11.745 19 3HG1 VAL 6 3HG1 VAL 6 -0.771 4.222 10.533 20 1HG2 VAL 6 1HG2 VAL 6 2.864 3.774 11.308 21 2HG2 VAL 6 2HG2 VAL 6 2.626 5.508 11.088 22 3HG2 VAL 6 3HG2 VAL 6 3.401 4.556 9.820 23 H MET 7 H MET 7 0.475 3.470 6.940 24 HA MET 7 HA MET 7 3.185 3.571 5.816 25 1HB MET 7 2HB MET 7 2.235 1.395 5.215 26 2HB MET 7 1HB MET 7 0.807 2.183 4.560 27 1HG MET 7 2HG MET 7 2.202 3.274 2.863 28 2HG MET 7 1HG MET 7 3.616 2.442 3.509 29 1HE MET 7 1HE MET 7 0.041 0.257 1.571 30 2HE MET 7 2HE MET 7 0.138 2.013 1.723 31 3HE MET 7 3HE MET 7 -0.030 1.009 3.163 32 H ALA 8 H ALA 8 3.402 5.648 5.290 33 HA ALA 8 HA ALA 8 1.116 7.161 4.306 34 1HB ALA 8 1HB ALA 8 3.950 8.052 4.831 35 2HB ALA 8 2HB ALA 8 2.599 8.200 5.953 36 3HB ALA 8 3HB ALA 8 2.586 9.099 4.436 37 H THR 9 H THR 9 0.701 7.346 2.207 38 HA THR 9 HA THR 9 2.615 6.307 0.301 39 HB THR 9 HB THR 9 0.767 6.692 -1.350 40 HG1 THR 9 HG1 THR 9 -1.274 7.232 -0.489 41 1HG2 THR 9 1HG2 THR 9 1.073 4.523 -0.255 42 2HG2 THR 9 2HG2 THR 9 -0.638 4.863 -0.512 43 3HG2 THR 9 3HG2 THR 9 0.067 5.056 1.092 44 H LYS 10 H LYS 10 2.508 7.582 -1.903 45 HA LYS 10 HA LYS 10 4.036 9.914 -1.534 46 1HB LYS 10 2HB LYS 10 4.237 8.436 -3.475 47 2HB LYS 10 1HB LYS 10 2.616 8.873 -3.990 48 1HG LYS 10 2HG LYS 10 3.298 11.093 -4.508 49 2HG LYS 10 1HG LYS 10 4.881 10.840 -3.765 50 1HD LYS 10 2HD LYS 10 4.968 10.694 -6.226 51 2HD LYS 10 1HD LYS 10 5.434 9.181 -5.447 52 1HE LYS 10 2HE LYS 10 3.074 8.393 -5.780 53 2HE LYS 10 1HE LYS 10 2.801 9.834 -6.759 54 1HZ LYS 10 1HZ LYS 10 4.792 7.697 -7.306 55 2HZ LYS 10 2HZ LYS 10 4.592 9.101 -8.232 56 3HZ LYS 10 3HZ LYS 10 3.348 7.961 -8.151 57 H ASP 11 H ASP 11 0.647 9.388 -1.805 58 HA ASP 11 HA ASP 11 -0.202 11.994 -2.477 59 1HB ASP 11 2HB ASP 11 -1.832 10.298 -2.651 60 2HB ASP 11 1HB ASP 11 -1.498 9.690 -1.034 61 H GLY 12 H GLY 12 0.779 10.505 0.540 62 1HA GLY 12 2HA GLY 12 1.717 11.898 2.272 63 2HA GLY 12 1HA GLY 12 0.562 13.145 1.830 64 H ARG 13 H ARG 13 -1.211 10.463 1.656 65 HA ARG 13 HA ARG 13 -2.447 10.881 4.209 66 1HB ARG 13 2HB ARG 13 -4.012 9.115 3.509 67 2HB ARG 13 1HB ARG 13 -3.825 10.345 2.266 68 1HG ARG 13 2HG ARG 13 -2.260 8.861 1.077 69 2HG ARG 13 1HG ARG 13 -2.541 7.620 2.298 70 1HD ARG 13 2HD ARG 13 -3.899 7.215 0.318 71 2HD ARG 13 1HD ARG 13 -4.916 7.578 1.713 72 HE ARG 13 HE ARG 13 -4.401 9.965 0.310 73 1HH1 ARG 13 1HH1 ARG 13 -6.102 6.932 -0.158 74 2HH1 ARG 13 2HH1 ARG 13 -7.368 7.643 -1.121 75 1HH2 ARG 13 1HH2 ARG 13 -6.068 10.902 -0.959 76 2HH2 ARG 13 2HH2 ARG 13 -7.336 9.894 -1.594 77 H MET 14 H MET 14 -2.203 9.754 6.027 78 HA MET 14 HA MET 14 -0.184 7.659 6.095 79 1HB MET 14 2HB MET 14 -0.209 9.480 7.808 80 2HB MET 14 1HB MET 14 -1.762 8.879 8.374 81 1HG MET 14 2HG MET 14 -0.092 8.054 9.840 82 2HG MET 14 1HG MET 14 -0.653 6.699 8.861 83 1HE MET 14 1HE MET 14 3.354 8.901 8.231 84 2HE MET 14 2HE MET 14 2.201 9.279 9.509 85 3HE MET 14 3HE MET 14 1.797 9.625 7.828 86 H ILE 15 H ILE 15 -1.018 5.788 5.337 87 HA ILE 15 HA ILE 15 -3.735 5.021 5.924 88 HB ILE 15 HB ILE 15 -1.551 3.478 4.514 89 1HG1 ILE 15 2HG1 ILE 15 -3.878 5.073 3.402 90 2HG1 ILE 15 1HG1 ILE 15 -2.189 5.567 3.358 91 1HG2 ILE 15 1HG2 ILE 15 -3.361 2.062 3.681 92 2HG2 ILE 15 2HG2 ILE 15 -4.521 2.968 4.652 93 3HG2 ILE 15 3HG2 ILE 15 -3.266 2.012 5.441 94 1HD1 ILE 15 1HD1 ILE 15 -2.932 4.675 1.217 95 2HD1 ILE 15 2HD1 ILE 15 -3.343 3.146 1.993 96 3HD1 ILE 15 3HD1 ILE 15 -1.661 3.676 1.923 97 H LEU 16 H LEU 16 -4.354 3.994 7.678 98 HA LEU 16 HA LEU 16 -2.493 2.815 9.507 99 1HB LEU 16 2HB LEU 16 -5.510 2.656 9.469 100 2HB LEU 16 1HB LEU 16 -4.481 2.176 10.799 101 HG LEU 16 HG LEU 16 -5.325 4.239 11.456 102 1HD1 LEU 16 1HD1 LEU 16 -2.925 4.142 11.767 103 2HD1 LEU 16 2HD1 LEU 16 -3.445 5.794 11.434 104 3HD1 LEU 16 3HD1 LEU 16 -2.673 4.840 10.168 105 1HD2 LEU 16 1HD2 LEU 16 -5.433 6.226 10.055 106 2HD2 LEU 16 2HD2 LEU 16 -6.331 4.889 9.335 107 3HD2 LEU 16 3HD2 LEU 16 -4.741 5.323 8.707 108 H THR 17 H THR 17 -1.579 0.925 9.090 109 HA THR 17 HA THR 17 -3.001 -0.923 7.295 110 HB THR 17 HB THR 17 -0.596 -1.786 6.849 111 HG1 THR 17 HG1 THR 17 -0.076 0.194 8.581 112 1HG2 THR 17 1HG2 THR 17 -0.259 -0.106 5.095 113 2HG2 THR 17 2HG2 THR 17 -1.444 0.946 5.868 114 3HG2 THR 17 3HG2 THR 17 -1.949 -0.600 5.187 115 H ASP 18 H ASP 18 -3.301 -3.020 7.885 116 HA ASP 18 HA ASP 18 -2.125 -4.106 10.263 117 1HB ASP 18 2HB ASP 18 -4.130 -5.173 9.390 118 2HB ASP 18 1HB ASP 18 -3.353 -5.449 7.833 119 H GLY 19 H GLY 19 -0.107 -4.984 10.456 120 1HA GLY 19 2HA GLY 19 1.795 -3.867 8.712 121 2HA GLY 19 1HA GLY 19 2.149 -5.045 9.970 122 H LYS 20 H LYS 20 3.435 -4.938 7.360 123 HA LYS 20 HA LYS 20 4.303 -6.714 6.179 124 1HB LYS 20 2HB LYS 20 1.862 -8.257 7.026 125 2HB LYS 20 1HB LYS 20 3.080 -8.882 5.924 126 1HG LYS 20 2HG LYS 20 4.764 -8.764 7.626 127 2HG LYS 20 1HG LYS 20 3.653 -7.943 8.725 128 1HD LYS 20 2HD LYS 20 2.245 -9.910 8.827 129 2HD LYS 20 1HD LYS 20 3.261 -10.731 7.639 130 1HE LYS 20 2HE LYS 20 3.772 -11.489 9.888 131 2HE LYS 20 1HE LYS 20 5.146 -10.640 9.183 132 1HZ LYS 20 1HZ LYS 20 3.248 -9.615 11.220 133 2HZ LYS 20 2HZ LYS 20 4.373 -8.638 10.422 134 3HZ LYS 20 3HZ LYS 20 4.908 -9.909 11.404 135 HA PRO 21 HA PRO 21 1.754 -5.274 2.731 136 1HB PRO 21 2HB PRO 21 3.500 -3.538 1.673 137 2HB PRO 21 1HB PRO 21 2.463 -3.100 3.034 138 1HG PRO 21 2HG PRO 21 5.358 -3.738 2.987 139 2HG PRO 21 1HG PRO 21 4.463 -2.645 4.054 140 1HD PRO 21 2HD PRO 21 5.290 -5.286 4.640 141 2HD PRO 21 1HD PRO 21 4.192 -4.279 5.601 142 H GLU 22 H GLU 22 1.732 -6.555 1.034 143 HA GLU 22 HA GLU 22 4.094 -8.064 0.298 144 1HB GLU 22 2HB GLU 22 1.252 -8.148 -0.727 145 2HB GLU 22 1HB GLU 22 2.533 -9.208 -1.289 146 1HG GLU 22 2HG GLU 22 1.572 -9.039 1.559 147 2HG GLU 22 1HG GLU 22 1.060 -10.256 0.388 148 H ILE 23 H ILE 23 5.525 -7.003 -0.908 149 HA ILE 23 HA ILE 23 4.656 -5.067 -2.892 150 HB ILE 23 HB ILE 23 7.473 -5.967 -2.266 151 1HG1 ILE 23 2HG1 ILE 23 5.898 -3.614 -1.191 152 2HG1 ILE 23 1HG1 ILE 23 6.382 -5.034 -0.274 153 1HG2 ILE 23 1HG2 ILE 23 7.237 -4.893 -4.442 154 2HG2 ILE 23 2HG2 ILE 23 8.108 -3.843 -3.324 155 3HG2 ILE 23 3HG2 ILE 23 6.411 -3.526 -3.691 156 1HD1 ILE 23 1HD1 ILE 23 8.728 -4.434 -0.591 157 2HD1 ILE 23 2HD1 ILE 23 7.822 -3.153 0.216 158 3HD1 ILE 23 3HD1 ILE 23 8.233 -3.001 -1.493 159 H ASP 24 H ASP 24 3.846 -5.955 -4.670 160 HA ASP 24 HA ASP 24 4.936 -8.391 -5.800 161 1HB ASP 24 2HB ASP 24 2.580 -8.259 -5.907 162 2HB ASP 24 1HB ASP 24 2.614 -6.596 -6.481 163 H ASP 25 H ASP 25 6.131 -8.564 -7.636 164 HA ASP 25 HA ASP 25 7.072 -6.039 -8.814 165 1HB ASP 25 2HB ASP 25 9.096 -7.296 -9.490 166 2HB ASP 25 1HB ASP 25 8.861 -7.278 -7.748 167 H ASP 26 H ASP 26 4.803 -8.130 -9.467 168 HA ASP 26 HA ASP 26 5.430 -8.750 -12.239 169 1HB ASP 26 2HB ASP 26 4.191 -10.427 -11.051 170 2HB ASP 26 1HB ASP 26 3.005 -9.248 -10.504 171 H THR 27 H THR 27 2.911 -6.947 -10.515 172 HA THR 27 HA THR 27 2.611 -5.219 -12.887 173 HB THR 27 HB THR 27 0.530 -6.338 -12.414 174 HG1 THR 27 HG1 THR 27 0.721 -3.602 -11.812 175 1HG2 THR 27 1HG2 THR 27 0.741 -5.251 -9.611 176 2HG2 THR 27 2HG2 THR 27 0.940 -6.939 -10.081 177 3HG2 THR 27 3HG2 THR 27 -0.625 -6.148 -10.272 178 H GLY 28 H GLY 28 3.712 -5.404 -9.705 179 1HA GLY 28 2HA GLY 28 4.962 -3.772 -8.614 180 2HA GLY 28 1HA GLY 28 4.379 -2.582 -9.769 181 H LEU 29 H LEU 29 2.302 -4.744 -7.938 182 HA LEU 29 HA LEU 29 1.166 -2.383 -6.624 183 1HB LEU 29 2HB LEU 29 0.033 -5.164 -6.914 184 2HB LEU 29 1HB LEU 29 -0.775 -3.820 -6.132 185 HG LEU 29 HG LEU 29 -0.117 -4.096 -9.059 186 1HD1 LEU 29 1HD1 LEU 29 -2.073 -5.335 -8.324 187 2HD1 LEU 29 2HD1 LEU 29 -2.540 -3.964 -9.332 188 3HD1 LEU 29 3HD1 LEU 29 -2.732 -3.878 -7.581 189 1HD2 LEU 29 1HD2 LEU 29 0.274 -1.791 -8.344 190 2HD2 LEU 29 2HD2 LEU 29 -1.340 -1.739 -7.633 191 3HD2 LEU 29 3HD2 LEU 29 -1.150 -1.918 -9.378 192 H VAL 30 H VAL 30 1.037 -2.184 -4.448 193 HA VAL 30 HA VAL 30 2.441 -4.223 -2.857 194 HB VAL 30 HB VAL 30 1.865 -1.345 -2.117 195 1HG1 VAL 30 1HG1 VAL 30 3.399 -1.736 -0.259 196 2HG1 VAL 30 2HG1 VAL 30 3.604 -3.412 -0.768 197 3HG1 VAL 30 3HG1 VAL 30 2.034 -2.854 -0.189 198 1HG2 VAL 30 1HG2 VAL 30 4.277 -0.980 -2.461 199 2HG2 VAL 30 2HG2 VAL 30 3.462 -1.459 -3.950 200 3HG2 VAL 30 3HG2 VAL 30 4.429 -2.632 -3.058 201 H SER 31 H SER 31 1.047 -5.610 -2.030 202 HA SER 31 HA SER 31 -1.697 -4.873 -1.500 203 1HB SER 31 2HB SER 31 -0.358 -7.493 -0.850 204 2HB SER 31 1HB SER 31 -2.071 -7.198 -1.124 205 HG SER 31 HG SER 31 -0.785 -6.373 -3.282 206 H TYR 32 H TYR 32 -2.558 -4.357 0.402 207 HA TYR 32 HA TYR 32 -1.127 -5.003 2.879 208 1HB TYR 32 2HB TYR 32 -1.294 -2.742 3.715 209 2HB TYR 32 1HB TYR 32 -0.485 -2.683 2.152 210 HD1 TYR 32 HD2 TYR 32 -1.832 -1.970 0.117 211 HD2 TYR 32 HD1 TYR 32 -3.290 -1.544 4.091 212 HE1 TYR 32 HE2 TYR 32 -3.505 -0.342 -0.671 213 HE2 TYR 32 HE1 TYR 32 -4.956 0.083 3.311 214 HH TYR 32 HH TYR 32 -5.483 1.488 1.569 215 H HIS 33 H HIS 33 -2.556 -4.642 4.801 216 HA HIS 33 HA HIS 33 -5.385 -5.045 4.064 217 1HB HIS 33 2HB HIS 33 -4.093 -5.766 6.706 218 2HB HIS 33 1HB HIS 33 -5.692 -6.227 6.142 219 HD1 HIS 33 HD1 HIS 33 -2.809 -7.849 6.888 220 HD2 HIS 33 HD2 HIS 33 -5.033 -7.694 3.369 221 HE1 HIS 33 HE1 HIS 33 -2.173 -9.908 5.588 222 HE2 HIS 33 HE2 HIS 33 -3.650 -9.886 3.547 223 H ASP 34 H ASP 34 -6.863 -3.605 4.735 224 HA ASP 34 HA ASP 34 -6.057 -1.251 6.184 225 1HB ASP 34 2HB ASP 34 -8.377 -2.125 4.679 226 2HB ASP 34 1HB ASP 34 -8.858 -1.368 6.192 227 H GLN 35 H GLN 35 -7.420 -0.542 8.131 228 HA GLN 35 HA GLN 35 -7.128 -2.342 10.263 229 1HB GLN 35 2HB GLN 35 -8.939 0.072 10.069 230 2HB GLN 35 1HB GLN 35 -8.542 -0.771 11.558 231 1HG GLN 35 2HG GLN 35 -6.143 -0.222 11.127 232 2HG GLN 35 1HG GLN 35 -6.689 0.792 9.789 233 1HE2 GLN 35 1HE2 GLN 35 -6.545 0.421 13.234 234 2HE2 GLN 35 2HE2 GLN 35 -7.060 2.023 13.632 235 H GLN 36 H GLN 36 -9.745 -1.795 8.054 236 HA GLN 36 HA GLN 36 -11.795 -3.131 9.461 237 1HB GLN 36 2HB GLN 36 -11.416 -2.815 6.479 238 2HB GLN 36 1HB GLN 36 -12.915 -3.274 7.277 239 1HG GLN 36 2HG GLN 36 -13.057 -1.118 8.339 240 2HG GLN 36 1HG GLN 36 -11.488 -0.658 7.683 241 1HE2 GLN 36 1HE2 GLN 36 -14.846 -1.204 6.971 242 2HE2 GLN 36 2HE2 GLN 36 -14.843 -0.440 5.415 243 H GLY 37 H GLY 37 -9.171 -4.230 7.436 244 1HA GLY 37 2HA GLY 37 -8.381 -6.502 7.844 245 2HA GLY 37 1HA GLY 37 -10.064 -7.001 7.907 246 H ASN 38 H ASN 38 -10.077 -4.866 5.480 247 HA ASN 38 HA ASN 38 -10.103 -6.940 3.498 248 1HB ASN 38 2HB ASN 38 -10.720 -5.171 1.907 249 2HB ASN 38 1HB ASN 38 -11.728 -5.130 3.347 250 1HD2 ASN 38 1HD2 ASN 38 -11.722 -3.365 4.633 251 2HD2 ASN 38 2HD2 ASN 38 -10.844 -1.913 4.268 252 H ALA 39 H ALA 39 -8.826 -7.053 1.637 253 HA ALA 39 HA ALA 39 -6.104 -6.040 2.058 254 1HB ALA 39 1HB ALA 39 -5.392 -7.833 0.544 255 2HB ALA 39 2HB ALA 39 -7.075 -8.320 0.337 256 3HB ALA 39 3HB ALA 39 -6.305 -8.461 1.917 257 H MET 40 H MET 40 -5.476 -4.380 0.900 258 HA MET 40 HA MET 40 -6.600 -4.035 -1.798 259 1HB MET 40 2HB MET 40 -6.049 -1.963 0.313 260 2HB MET 40 1HB MET 40 -6.161 -1.538 -1.391 261 1HG MET 40 2HG MET 40 -8.404 -2.532 -1.450 262 2HG MET 40 1HG MET 40 -8.295 -2.828 0.284 263 1HE MET 40 1HE MET 40 -7.026 -0.394 1.566 264 2HE MET 40 2HE MET 40 -8.581 -1.026 2.108 265 3HE MET 40 3HE MET 40 -8.387 0.702 1.817 266 H GLN 41 H GLN 41 -5.119 -2.446 -3.107 267 HA GLN 41 HA GLN 41 -2.301 -3.135 -2.595 268 1HB GLN 41 2HB GLN 41 -3.799 -3.632 -5.179 269 2HB GLN 41 1HB GLN 41 -2.050 -3.716 -5.021 270 1HG GLN 41 2HG GLN 41 -2.236 -5.557 -3.479 271 2HG GLN 41 1HG GLN 41 -3.995 -5.434 -3.497 272 1HE2 GLN 41 1HE2 GLN 41 -5.131 -6.161 -5.269 273 2HE2 GLN 41 2HE2 GLN 41 -4.413 -7.149 -6.496 274 H ILE 42 H ILE 42 -1.233 -1.242 -2.564 275 HA ILE 42 HA ILE 42 -2.128 0.957 -4.270 276 HB ILE 42 HB ILE 42 -0.476 2.347 -3.177 277 1HG1 ILE 42 2HG1 ILE 42 0.333 0.049 -1.411 278 2HG1 ILE 42 1HG1 ILE 42 1.171 0.373 -2.923 279 1HG2 ILE 42 1HG2 ILE 42 -1.320 2.294 -0.880 280 2HG2 ILE 42 2HG2 ILE 42 -2.005 0.694 -1.172 281 3HG2 ILE 42 3HG2 ILE 42 -2.615 2.092 -2.059 282 1HD1 ILE 42 1HD1 ILE 42 0.867 2.312 -0.650 283 2HD1 ILE 42 2HD1 ILE 42 1.749 2.592 -2.151 284 3HD1 ILE 42 3HD1 ILE 42 2.311 1.367 -1.011 285 H ASN 43 H ASN 43 -0.014 2.224 -5.172 286 HA ASN 43 HA ASN 43 1.205 0.250 -6.948 287 1HB ASN 43 2HB ASN 43 0.227 2.836 -7.342 288 2HB ASN 43 1HB ASN 43 1.977 2.984 -7.490 289 1HD2 ASN 43 1HD2 ASN 43 3.047 1.863 -9.142 290 2HD2 ASN 43 2HD2 ASN 43 2.205 1.182 -10.489 291 H ARG 44 H ARG 44 3.404 0.041 -7.270 292 HA ARG 44 HA ARG 44 5.110 0.211 -5.093 293 1HB ARG 44 2HB ARG 44 5.522 -1.253 -6.998 294 2HB ARG 44 1HB ARG 44 5.774 0.137 -8.041 295 1HG ARG 44 2HG ARG 44 7.875 -0.934 -7.410 296 2HG ARG 44 1HG ARG 44 7.780 0.727 -6.824 297 1HD ARG 44 2HD ARG 44 7.257 -0.028 -4.605 298 2HD ARG 44 1HD ARG 44 7.131 -1.698 -5.156 299 HE ARG 44 HE ARG 44 9.550 -1.596 -5.621 300 1HH1 ARG 44 1HH1 ARG 44 8.174 0.801 -3.477 301 2HH1 ARG 44 2HH1 ARG 44 9.644 1.039 -2.578 302 1HH2 ARG 44 1HH2 ARG 44 11.492 -1.301 -4.445 303 2HH2 ARG 44 2HH2 ARG 44 11.527 -0.171 -3.124 304 H ASP 45 H ASP 45 4.610 2.481 -7.727 305 HA ASP 45 HA ASP 45 6.751 4.241 -7.025 306 1HB ASP 45 2HB ASP 45 4.328 4.866 -8.723 307 2HB ASP 45 1HB ASP 45 5.877 5.695 -8.741 308 H ASP 46 H ASP 46 4.003 3.629 -5.375 309 HA ASP 46 HA ASP 46 3.519 6.458 -4.711 310 1HB ASP 46 2HB ASP 46 1.640 5.092 -5.752 311 2HB ASP 46 1HB ASP 46 1.598 4.176 -4.249 312 H VAL 47 H VAL 47 5.086 3.829 -3.589 313 HA VAL 47 HA VAL 47 4.306 3.967 -0.805 314 HB VAL 47 HB VAL 47 6.796 2.649 -1.869 315 1HG1 VAL 47 1HG1 VAL 47 6.598 2.840 0.558 316 2HG1 VAL 47 2HG1 VAL 47 6.487 1.157 0.044 317 3HG1 VAL 47 3HG1 VAL 47 5.029 2.038 0.498 318 1HG2 VAL 47 1HG2 VAL 47 4.010 1.501 -1.809 319 2HG2 VAL 47 2HG2 VAL 47 5.482 0.581 -2.119 320 3HG2 VAL 47 3HG2 VAL 47 4.977 1.843 -3.244 321 H SER 48 H SER 48 4.906 5.701 0.377 322 HA SER 48 HA SER 48 7.419 7.029 -0.363 323 1HB SER 48 2HB SER 48 5.424 8.402 -0.698 324 2HB SER 48 1HB SER 48 4.976 8.191 0.992 325 HG SER 48 HG SER 48 7.470 9.303 0.222 326 H GLN 49 H GLN 49 5.456 7.097 2.636 327 HA GLN 49 HA GLN 49 8.020 6.949 4.088 328 1HB GLN 49 2HB GLN 49 5.429 8.163 5.058 329 2HB GLN 49 1HB GLN 49 7.007 8.280 5.826 330 1HG GLN 49 2HG GLN 49 6.267 9.448 3.153 331 2HG GLN 49 1HG GLN 49 6.370 10.338 4.670 332 1HE2 GLN 49 1HE2 GLN 49 7.825 10.604 2.125 333 2HE2 GLN 49 2HE2 GLN 49 9.503 10.536 2.546 334 H ILE 50 H ILE 50 8.326 4.972 4.904 335 HA ILE 50 HA ILE 50 6.025 3.655 6.189 336 HB ILE 50 HB ILE 50 8.605 2.369 5.268 337 1HG1 ILE 50 2HG1 ILE 50 5.828 2.196 4.072 338 2HG1 ILE 50 1HG1 ILE 50 7.169 3.107 3.386 339 1HG2 ILE 50 1HG2 ILE 50 6.066 1.164 6.371 340 2HG2 ILE 50 2HG2 ILE 50 7.629 1.239 7.185 341 3HG2 ILE 50 3HG2 ILE 50 7.437 0.255 5.735 342 1HD1 ILE 50 1HD1 ILE 50 8.420 1.040 3.079 343 2HD1 ILE 50 2HD1 ILE 50 6.862 0.975 2.254 344 3HD1 ILE 50 3HD1 ILE 50 7.087 0.125 3.783 345 H ILE 51 H ILE 51 9.576 3.620 6.542 346 HA ILE 51 HA ILE 51 9.184 3.947 9.439 347 HB ILE 51 HB ILE 51 9.558 1.559 8.873 348 1HG1 ILE 51 2HG1 ILE 51 11.863 2.800 10.392 349 2HG1 ILE 51 1HG1 ILE 51 10.261 2.516 11.062 350 1HG2 ILE 51 1HG2 ILE 51 11.815 0.853 8.143 351 2HG2 ILE 51 2HG2 ILE 51 12.224 2.547 7.869 352 3HG2 ILE 51 3HG2 ILE 51 10.950 1.783 6.919 353 1HD1 ILE 51 1HD1 ILE 51 12.174 0.408 10.079 354 2HD1 ILE 51 2HD1 ILE 51 10.563 0.110 10.730 355 3HD1 ILE 51 3HD1 ILE 51 11.818 0.797 11.762 356 H GLU 52 H GLU 52 10.791 4.982 6.641 357 HA GLU 52 HA GLU 52 13.262 5.740 7.852 358 1HB GLU 52 2HB GLU 52 12.204 5.751 5.223 359 2HB GLU 52 1HB GLU 52 12.715 7.395 5.592 360 1HG GLU 52 2HG GLU 52 14.371 4.888 5.607 361 2HG GLU 52 1HG GLU 52 14.576 6.336 4.619 362 H ARG 53 H ARG 53 13.972 8.102 7.773 363 HA ARG 53 HA ARG 53 11.908 9.814 8.965 364 1HB ARG 53 2HB ARG 53 14.472 9.067 10.390 365 2HB ARG 53 1HB ARG 53 13.208 10.129 10.997 366 1HG ARG 53 2HG ARG 53 11.781 8.389 11.462 367 2HG ARG 53 1HG ARG 53 12.529 7.319 10.273 368 1HD ARG 53 2HD ARG 53 14.579 7.333 11.760 369 2HD ARG 53 1HD ARG 53 13.568 8.105 12.983 370 HE ARG 53 HE ARG 53 12.159 6.109 12.938 371 1HH1 ARG 53 1HH1 ARG 53 15.332 5.849 11.451 372 2HH1 ARG 53 2HH1 ARG 53 15.443 4.135 11.705 373 1HH2 ARG 53 1HH2 ARG 53 12.292 3.857 13.223 374 2HH2 ARG 53 2HH2 ARG 53 13.696 2.989 12.673 Start of MODEL 12 1 H ASP 4 H ASP 4 3.216 2.315 16.713 2 HA ASP 4 HA ASP 4 1.101 0.678 15.476 3 1HB ASP 4 2HB ASP 4 1.924 3.521 14.835 4 2HB ASP 4 1HB ASP 4 0.792 2.576 13.878 5 H TYR 5 H TYR 5 1.367 0.575 13.058 6 HA TYR 5 HA TYR 5 4.198 0.527 12.269 7 1HB TYR 5 2HB TYR 5 2.163 -1.460 11.978 8 2HB TYR 5 1HB TYR 5 2.586 -0.874 10.375 9 HD1 TYR 5 HD2 TYR 5 4.893 -1.145 9.526 10 HD2 TYR 5 HD1 TYR 5 3.697 -2.770 13.270 11 HE1 TYR 5 HE2 TYR 5 6.882 -2.592 9.524 12 HE2 TYR 5 HE1 TYR 5 5.679 -4.223 13.280 13 HH TYR 5 HH TYR 5 8.279 -3.821 11.063 14 H VAL 6 H VAL 6 1.096 0.606 10.533 15 HA VAL 6 HA VAL 6 0.049 2.157 9.277 16 HB VAL 6 HB VAL 6 1.254 3.710 11.178 17 1HG1 VAL 6 1HG1 VAL 6 2.057 4.878 8.515 18 2HG1 VAL 6 2HG1 VAL 6 3.154 4.263 9.750 19 3HG1 VAL 6 3HG1 VAL 6 2.169 5.689 10.078 20 1HG2 VAL 6 1HG2 VAL 6 -1.033 3.909 10.403 21 2HG2 VAL 6 2HG2 VAL 6 -0.478 4.628 8.891 22 3HG2 VAL 6 3HG2 VAL 6 -0.245 5.487 10.413 23 H MET 7 H MET 7 0.239 3.325 7.246 24 HA MET 7 HA MET 7 2.801 2.823 5.900 25 1HB MET 7 2HB MET 7 1.100 1.161 5.209 26 2HB MET 7 1HB MET 7 0.060 2.475 4.676 27 1HG MET 7 2HG MET 7 1.760 3.147 3.047 28 2HG MET 7 1HG MET 7 2.773 1.799 3.559 29 1HE MET 7 1HE MET 7 -0.486 2.928 1.770 30 2HE MET 7 2HE MET 7 -1.153 1.931 3.063 31 3HE MET 7 3HE MET 7 -1.272 1.397 1.386 32 H ALA 8 H ALA 8 3.593 4.832 5.826 33 HA ALA 8 HA ALA 8 2.020 7.128 5.158 34 1HB ALA 8 1HB ALA 8 5.017 6.746 5.138 35 2HB ALA 8 2HB ALA 8 4.056 7.357 6.485 36 3HB ALA 8 3HB ALA 8 4.180 8.292 4.994 37 H THR 9 H THR 9 1.699 8.046 3.177 38 HA THR 9 HA THR 9 2.756 6.533 0.866 39 HB THR 9 HB THR 9 0.073 7.675 0.566 40 HG1 THR 9 HG1 THR 9 0.665 6.146 2.740 41 1HG2 THR 9 1HG2 THR 9 1.153 6.196 -1.094 42 2HG2 THR 9 2HG2 THR 9 -0.380 5.551 -0.504 43 3HG2 THR 9 3HG2 THR 9 1.143 4.899 0.101 44 H LYS 10 H LYS 10 2.755 7.687 -1.136 45 HA LYS 10 HA LYS 10 3.997 10.189 -0.957 46 1HB LYS 10 2HB LYS 10 4.474 8.671 -2.760 47 2HB LYS 10 1HB LYS 10 2.799 8.692 -3.290 48 1HG LYS 10 2HG LYS 10 3.007 10.951 -4.051 49 2HG LYS 10 1HG LYS 10 4.621 11.089 -3.348 50 1HD LYS 10 2HD LYS 10 4.735 10.722 -5.761 51 2HD LYS 10 1HD LYS 10 5.436 9.367 -4.875 52 1HE LYS 10 2HE LYS 10 4.087 8.501 -6.669 53 2HE LYS 10 1HE LYS 10 3.290 8.145 -5.139 54 1HZ LYS 10 1HZ LYS 10 1.908 10.167 -5.533 55 2HZ LYS 10 2HZ LYS 10 1.645 8.917 -6.646 56 3HZ LYS 10 3HZ LYS 10 2.575 10.266 -7.087 57 H ASP 11 H ASP 11 0.681 9.341 -1.906 58 HA ASP 11 HA ASP 11 0.083 12.001 -2.797 59 1HB ASP 11 2HB ASP 11 -0.919 9.753 -3.597 60 2HB ASP 11 1HB ASP 11 -1.986 9.905 -2.206 61 H GLY 12 H GLY 12 0.903 11.664 0.032 62 1HA GLY 12 2HA GLY 12 0.506 12.937 1.895 63 2HA GLY 12 1HA GLY 12 -0.825 13.685 1.029 64 H ARG 13 H ARG 13 0.016 10.598 2.593 65 HA ARG 13 HA ARG 13 -2.235 10.816 4.338 66 1HB ARG 13 2HB ARG 13 -3.395 8.762 3.613 67 2HB ARG 13 1HB ARG 13 -3.437 10.009 2.374 68 1HG ARG 13 2HG ARG 13 -1.146 8.257 2.084 69 2HG ARG 13 1HG ARG 13 -2.674 7.377 2.037 70 1HD ARG 13 2HD ARG 13 -2.387 9.875 0.443 71 2HD ARG 13 1HD ARG 13 -1.631 8.394 -0.143 72 HE ARG 13 HE ARG 13 -3.949 7.403 0.105 73 1HH1 ARG 13 1HH1 ARG 13 -3.455 10.818 -0.560 74 2HH1 ARG 13 2HH1 ARG 13 -4.926 10.968 -1.462 75 1HH2 ARG 13 1HH2 ARG 13 -5.866 7.608 -1.051 76 2HH2 ARG 13 2HH2 ARG 13 -6.322 9.148 -1.719 77 H MET 14 H MET 14 -1.972 9.592 6.131 78 HA MET 14 HA MET 14 0.127 7.533 6.079 79 1HB MET 14 2HB MET 14 -0.935 9.193 8.376 80 2HB MET 14 1HB MET 14 0.088 7.783 8.604 81 1HG MET 14 2HG MET 14 1.482 9.686 8.734 82 2HG MET 14 1HG MET 14 1.812 8.906 7.190 83 1HE MET 14 1HE MET 14 3.038 11.044 6.251 84 2HE MET 14 2HE MET 14 2.798 11.824 7.814 85 3HE MET 14 3HE MET 14 2.361 12.672 6.330 86 H ILE 15 H ILE 15 -1.139 5.876 5.321 87 HA ILE 15 HA ILE 15 -3.832 5.516 6.220 88 HB ILE 15 HB ILE 15 -2.112 3.619 4.614 89 1HG1 ILE 15 2HG1 ILE 15 -4.037 5.767 3.694 90 2HG1 ILE 15 1HG1 ILE 15 -2.284 5.847 3.568 91 1HG2 ILE 15 1HG2 ILE 15 -5.107 3.834 4.882 92 2HG2 ILE 15 2HG2 ILE 15 -4.096 2.577 5.595 93 3HG2 ILE 15 3HG2 ILE 15 -4.237 2.706 3.841 94 1HD1 ILE 15 1HD1 ILE 15 -4.079 3.881 2.165 95 2HD1 ILE 15 2HD1 ILE 15 -2.319 3.917 2.058 96 3HD1 ILE 15 3HD1 ILE 15 -3.267 5.270 1.440 97 H LEU 16 H LEU 16 -4.467 4.525 8.005 98 HA LEU 16 HA LEU 16 -2.737 3.018 9.673 99 1HB LEU 16 2HB LEU 16 -5.717 3.436 9.618 100 2HB LEU 16 1HB LEU 16 -4.986 2.310 10.742 101 HG LEU 16 HG LEU 16 -5.397 4.393 11.869 102 1HD1 LEU 16 1HD1 LEU 16 -3.146 4.941 12.654 103 2HD1 LEU 16 2HD1 LEU 16 -2.461 4.057 11.292 104 3HD1 LEU 16 3HD1 LEU 16 -3.390 3.199 12.519 105 1HD2 LEU 16 1HD2 LEU 16 -4.354 6.490 11.187 106 2HD2 LEU 16 2HD2 LEU 16 -5.448 5.884 9.943 107 3HD2 LEU 16 3HD2 LEU 16 -3.705 5.704 9.749 108 H THR 17 H THR 17 -1.995 1.074 9.177 109 HA THR 17 HA THR 17 -3.675 -0.724 7.574 110 HB THR 17 HB THR 17 -1.582 -1.375 6.336 111 HG1 THR 17 HG1 THR 17 -0.550 1.060 7.407 112 1HG2 THR 17 1HG2 THR 17 -2.427 1.509 6.049 113 2HG2 THR 17 2HG2 THR 17 -3.228 0.120 5.314 114 3HG2 THR 17 3HG2 THR 17 -1.588 0.551 4.829 115 H ASP 18 H ASP 18 -3.231 -2.949 7.832 116 HA ASP 18 HA ASP 18 -1.877 -3.863 10.163 117 1HB ASP 18 2HB ASP 18 -3.609 -5.222 9.112 118 2HB ASP 18 1HB ASP 18 -2.687 -5.293 7.615 119 H GLY 19 H GLY 19 0.274 -3.737 10.421 120 1HA GLY 19 2HA GLY 19 1.772 -2.519 8.319 121 2HA GLY 19 1HA GLY 19 2.379 -2.931 9.914 122 H LYS 20 H LYS 20 2.353 -3.764 6.592 123 HA LYS 20 HA LYS 20 4.015 -5.815 6.348 124 1HB LYS 20 2HB LYS 20 1.908 -6.725 8.072 125 2HB LYS 20 1HB LYS 20 1.893 -7.656 6.577 126 1HG LYS 20 2HG LYS 20 4.156 -8.321 6.864 127 2HG LYS 20 1HG LYS 20 4.385 -7.187 8.194 128 1HD LYS 20 2HD LYS 20 2.632 -8.486 9.451 129 2HD LYS 20 1HD LYS 20 2.729 -9.697 8.169 130 1HE LYS 20 2HE LYS 20 4.154 -10.260 10.103 131 2HE LYS 20 1HE LYS 20 5.078 -10.039 8.617 132 1HZ LYS 20 1HZ LYS 20 5.742 -7.867 9.328 133 2HZ LYS 20 2HZ LYS 20 6.087 -8.954 10.581 134 3HZ LYS 20 3HZ LYS 20 4.732 -7.938 10.690 135 HA PRO 21 HA PRO 21 1.315 -5.186 2.669 136 1HB PRO 21 2HB PRO 21 3.154 -3.481 1.386 137 2HB PRO 21 1HB PRO 21 1.642 -3.005 2.161 138 1HG PRO 21 2HG PRO 21 4.235 -2.328 3.004 139 2HG PRO 21 1HG PRO 21 2.739 -2.115 3.924 140 1HD PRO 21 2HD PRO 21 4.801 -4.255 4.130 141 2HD PRO 21 1HD PRO 21 3.758 -3.562 5.392 142 H GLU 22 H GLU 22 1.658 -6.087 0.604 143 HA GLU 22 HA GLU 22 4.268 -7.411 0.247 144 1HB GLU 22 2HB GLU 22 1.687 -8.555 0.409 145 2HB GLU 22 1HB GLU 22 2.194 -8.693 -1.270 146 1HG GLU 22 2HG GLU 22 3.735 -9.666 1.126 147 2HG GLU 22 1HG GLU 22 2.798 -10.666 0.019 148 H ILE 23 H ILE 23 5.352 -6.364 -1.248 149 HA ILE 23 HA ILE 23 3.983 -5.082 -3.465 150 HB ILE 23 HB ILE 23 6.957 -5.248 -2.947 151 1HG1 ILE 23 2HG1 ILE 23 4.991 -3.073 -2.182 152 2HG1 ILE 23 1HG1 ILE 23 5.772 -4.184 -1.066 153 1HG2 ILE 23 1HG2 ILE 23 6.421 -4.700 -5.244 154 2HG2 ILE 23 2HG2 ILE 23 7.028 -3.260 -4.422 155 3HG2 ILE 23 3HG2 ILE 23 5.298 -3.446 -4.712 156 1HD1 ILE 23 1HD1 ILE 23 7.946 -3.246 -1.646 157 2HD1 ILE 23 2HD1 ILE 23 6.842 -2.008 -1.042 158 3HD1 ILE 23 3HD1 ILE 23 7.163 -2.135 -2.771 159 H ASP 24 H ASP 24 3.259 -6.567 -4.885 160 HA ASP 24 HA ASP 24 4.700 -8.926 -5.565 161 1HB ASP 24 2HB ASP 24 2.307 -7.574 -6.812 162 2HB ASP 24 1HB ASP 24 2.998 -9.061 -7.456 163 H ASP 25 H ASP 25 6.217 -9.251 -7.058 164 HA ASP 25 HA ASP 25 7.542 -6.904 -7.998 165 1HB ASP 25 2HB ASP 25 8.190 -9.823 -8.435 166 2HB ASP 25 1HB ASP 25 9.244 -8.479 -8.850 167 H ASP 26 H ASP 26 5.470 -9.303 -9.431 168 HA ASP 26 HA ASP 26 6.345 -8.871 -12.104 169 1HB ASP 26 2HB ASP 26 5.279 -10.971 -11.484 170 2HB ASP 26 1HB ASP 26 3.793 -10.116 -11.074 171 H THR 27 H THR 27 3.355 -7.887 -10.401 172 HA THR 27 HA THR 27 2.641 -6.158 -12.608 173 HB THR 27 HB THR 27 0.850 -7.358 -11.519 174 HG1 THR 27 HG1 THR 27 0.941 -4.641 -11.689 175 1HG2 THR 27 1HG2 THR 27 1.813 -7.587 -9.285 176 2HG2 THR 27 2HG2 THR 27 0.195 -6.893 -9.195 177 3HG2 THR 27 3HG2 THR 27 1.611 -5.858 -9.007 178 H GLY 28 H GLY 28 4.217 -5.858 -9.539 179 1HA GLY 28 2HA GLY 28 5.392 -4.052 -8.706 180 2HA GLY 28 1HA GLY 28 4.887 -3.128 -10.116 181 H LEU 29 H LEU 29 2.869 -4.789 -7.742 182 HA LEU 29 HA LEU 29 1.714 -2.175 -7.065 183 1HB LEU 29 2HB LEU 29 0.351 -4.869 -7.045 184 2HB LEU 29 1HB LEU 29 -0.394 -3.349 -6.593 185 HG LEU 29 HG LEU 29 0.561 -4.124 -9.352 186 1HD1 LEU 29 1HD1 LEU 29 -2.199 -3.672 -8.235 187 2HD1 LEU 29 2HD1 LEU 29 -1.502 -5.221 -8.707 188 3HD1 LEU 29 3HD1 LEU 29 -1.813 -3.986 -9.927 189 1HD2 LEU 29 1HD2 LEU 29 -0.758 -1.574 -8.431 190 2HD2 LEU 29 2HD2 LEU 29 -0.371 -2.005 -10.096 191 3HD2 LEU 29 3HD2 LEU 29 0.925 -1.741 -8.931 192 H VAL 30 H VAL 30 1.049 -1.832 -4.900 193 HA VAL 30 HA VAL 30 2.485 -3.541 -2.975 194 HB VAL 30 HB VAL 30 1.482 -0.716 -2.577 195 1HG1 VAL 30 1HG1 VAL 30 3.265 -2.436 -0.854 196 2HG1 VAL 30 2HG1 VAL 30 1.601 -1.973 -0.497 197 3HG1 VAL 30 3HG1 VAL 30 2.864 -0.743 -0.552 198 1HG2 VAL 30 1HG2 VAL 30 4.270 -1.719 -3.133 199 2HG2 VAL 30 2HG2 VAL 30 3.856 -0.067 -2.676 200 3HG2 VAL 30 3HG2 VAL 30 3.273 -0.730 -4.202 201 H SER 31 H SER 31 1.084 -5.070 -2.359 202 HA SER 31 HA SER 31 -1.705 -4.438 -1.887 203 1HB SER 31 2HB SER 31 -0.245 -7.058 -1.487 204 2HB SER 31 1HB SER 31 -1.990 -6.822 -1.578 205 HG SER 31 HG SER 31 -0.264 -7.212 -3.576 206 H TYR 32 H TYR 32 -2.138 -3.406 -0.027 207 HA TYR 32 HA TYR 32 -0.724 -4.290 2.406 208 1HB TYR 32 2HB TYR 32 -1.061 -2.142 3.360 209 2HB TYR 32 1HB TYR 32 -0.483 -1.867 1.724 210 HD1 TYR 32 HD1 TYR 32 -2.004 -0.955 0.012 211 HD2 TYR 32 HD2 TYR 32 -3.272 -1.489 4.036 212 HE1 TYR 32 HE1 TYR 32 -3.896 0.565 -0.383 213 HE2 TYR 32 HE2 TYR 32 -5.163 0.028 3.656 214 HH TYR 32 HH TYR 32 -6.221 0.941 0.654 215 H HIS 33 H HIS 33 -2.059 -4.014 4.445 216 HA HIS 33 HA HIS 33 -4.725 -5.137 3.921 217 1HB HIS 33 2HB HIS 33 -3.055 -5.328 6.436 218 2HB HIS 33 1HB HIS 33 -4.619 -6.089 6.177 219 HD1 HIS 33 HD1 HIS 33 -1.564 -7.306 6.663 220 HD2 HIS 33 HD2 HIS 33 -4.020 -7.532 3.299 221 HE1 HIS 33 HE1 HIS 33 -0.755 -9.302 5.359 222 HE2 HIS 33 HE2 HIS 33 -2.277 -9.450 3.349 223 H ASP 34 H ASP 34 -6.493 -4.154 4.643 224 HA ASP 34 HA ASP 34 -6.464 -1.451 5.460 225 1HB ASP 34 2HB ASP 34 -8.444 -3.456 4.829 226 2HB ASP 34 1HB ASP 34 -8.930 -2.558 6.260 227 H GLN 35 H GLN 35 -7.169 -0.526 7.434 228 HA GLN 35 HA GLN 35 -6.411 -1.727 9.862 229 1HB GLN 35 2HB GLN 35 -6.778 0.737 9.430 230 2HB GLN 35 1HB GLN 35 -8.507 0.425 9.490 231 1HG GLN 35 2HG GLN 35 -7.893 1.264 11.607 232 2HG GLN 35 1HG GLN 35 -8.164 -0.466 11.812 233 1HE2 GLN 35 1HE2 GLN 35 -6.584 1.416 13.401 234 2HE2 GLN 35 2HE2 GLN 35 -4.982 0.767 13.453 235 H GLN 36 H GLN 36 -9.296 -1.824 7.951 236 HA GLN 36 HA GLN 36 -11.005 -2.979 9.936 237 1HB GLN 36 2HB GLN 36 -11.312 -3.001 6.928 238 2HB GLN 36 1HB GLN 36 -12.575 -3.312 8.109 239 1HG GLN 36 2HG GLN 36 -12.422 -1.017 8.898 240 2HG GLN 36 1HG GLN 36 -11.134 -0.699 7.738 241 1HE2 GLN 36 1HE2 GLN 36 -13.728 0.578 8.006 242 2HE2 GLN 36 2HE2 GLN 36 -14.549 0.346 6.496 243 H GLY 37 H GLY 37 -8.627 -4.172 7.747 244 1HA GLY 37 2HA GLY 37 -7.764 -6.400 8.072 245 2HA GLY 37 1HA GLY 37 -9.397 -6.927 8.452 246 H ASN 38 H ASN 38 -9.019 -4.791 5.766 247 HA ASN 38 HA ASN 38 -9.582 -7.008 3.936 248 1HB ASN 38 2HB ASN 38 -9.564 -4.069 3.235 249 2HB ASN 38 1HB ASN 38 -10.290 -5.387 2.327 250 1HD2 ASN 38 1HD2 ASN 38 -10.750 -2.991 4.632 251 2HD2 ASN 38 2HD2 ASN 38 -12.357 -3.413 5.116 252 H ALA 39 H ALA 39 -8.568 -6.213 1.572 253 HA ALA 39 HA ALA 39 -5.763 -5.474 1.993 254 1HB ALA 39 1HB ALA 39 -4.983 -7.273 0.544 255 2HB ALA 39 2HB ALA 39 -6.633 -7.878 0.389 256 3HB ALA 39 3HB ALA 39 -5.819 -7.926 1.955 257 H MET 40 H MET 40 -5.112 -3.997 0.545 258 HA MET 40 HA MET 40 -6.622 -3.762 -1.984 259 1HB MET 40 2HB MET 40 -5.338 -1.492 -0.457 260 2HB MET 40 1HB MET 40 -6.202 -1.356 -1.976 261 1HG MET 40 2HG MET 40 -8.246 -2.168 -0.762 262 2HG MET 40 1HG MET 40 -7.325 -1.979 0.734 263 1HE MET 40 1HE MET 40 -9.350 1.212 1.237 264 2HE MET 40 2HE MET 40 -8.476 -0.101 2.026 265 3HE MET 40 3HE MET 40 -9.816 -0.464 0.939 266 H GLN 41 H GLN 41 -5.393 -2.885 -3.781 267 HA GLN 41 HA GLN 41 -2.486 -3.327 -3.515 268 1HB GLN 41 2HB GLN 41 -4.284 -3.720 -5.920 269 2HB GLN 41 1HB GLN 41 -2.531 -3.832 -5.968 270 1HG GLN 41 2HG GLN 41 -2.561 -5.731 -4.496 271 2HG GLN 41 1HG GLN 41 -4.306 -5.580 -4.282 272 1HE2 GLN 41 1HE2 GLN 41 -5.678 -6.217 -5.938 273 2HE2 GLN 41 2HE2 GLN 41 -5.130 -7.182 -7.268 274 H ILE 42 H ILE 42 -1.551 -1.352 -3.360 275 HA ILE 42 HA ILE 42 -2.635 0.824 -5.010 276 HB ILE 42 HB ILE 42 -1.431 2.385 -3.656 277 1HG1 ILE 42 2HG1 ILE 42 -0.339 0.244 -1.867 278 2HG1 ILE 42 1HG1 ILE 42 0.519 0.641 -3.354 279 1HG2 ILE 42 1HG2 ILE 42 -3.556 1.651 -2.745 280 2HG2 ILE 42 2HG2 ILE 42 -2.418 1.982 -1.438 281 3HG2 ILE 42 3HG2 ILE 42 -2.760 0.318 -1.908 282 1HD1 ILE 42 1HD1 ILE 42 1.381 1.852 -1.404 283 2HD1 ILE 42 2HD1 ILE 42 -0.197 2.612 -1.196 284 3HD1 ILE 42 3HD1 ILE 42 0.753 2.933 -2.649 285 H ASN 43 H ASN 43 -0.681 2.440 -5.558 286 HA ASN 43 HA ASN 43 0.902 0.972 -7.460 287 1HB ASN 43 2HB ASN 43 0.686 3.903 -6.799 288 2HB ASN 43 1HB ASN 43 1.821 3.284 -7.988 289 1HD2 ASN 43 1HD2 ASN 43 0.951 4.173 -9.778 290 2HD2 ASN 43 2HD2 ASN 43 -0.640 3.817 -10.368 291 H ARG 44 H ARG 44 3.058 0.629 -7.477 292 HA ARG 44 HA ARG 44 4.495 0.382 -5.091 293 1HB ARG 44 2HB ARG 44 5.081 -0.881 -7.076 294 2HB ARG 44 1HB ARG 44 5.458 0.592 -7.954 295 1HG ARG 44 2HG ARG 44 7.187 0.917 -5.993 296 2HG ARG 44 1HG ARG 44 7.032 -0.837 -5.884 297 1HD ARG 44 2HD ARG 44 8.871 -0.256 -7.357 298 2HD ARG 44 1HD ARG 44 7.571 -1.015 -8.276 299 HE ARG 44 HE ARG 44 7.506 1.878 -8.212 300 1HH1 ARG 44 1HH1 ARG 44 8.599 -0.961 -9.937 301 2HH1 ARG 44 2HH1 ARG 44 8.774 -0.130 -11.452 302 1HH2 ARG 44 1HH2 ARG 44 7.726 2.980 -10.191 303 2HH2 ARG 44 2HH2 ARG 44 8.294 2.109 -11.591 304 H ASP 45 H ASP 45 4.465 2.948 -7.507 305 HA ASP 45 HA ASP 45 6.622 4.426 -6.348 306 1HB ASP 45 2HB ASP 45 4.518 5.504 -8.230 307 2HB ASP 45 1HB ASP 45 6.173 6.066 -8.020 308 H ASP 46 H ASP 46 3.312 4.107 -5.651 309 HA ASP 46 HA ASP 46 2.974 6.800 -4.664 310 1HB ASP 46 2HB ASP 46 1.140 5.592 -5.834 311 2HB ASP 46 1HB ASP 46 1.057 4.474 -4.477 312 H VAL 47 H VAL 47 3.496 3.587 -3.332 313 HA VAL 47 HA VAL 47 2.988 4.288 -0.635 314 HB VAL 47 HB VAL 47 3.177 1.933 -1.460 315 1HG1 VAL 47 1HG1 VAL 47 5.397 0.925 -1.642 316 2HG1 VAL 47 2HG1 VAL 47 6.122 2.525 -1.475 317 3HG1 VAL 47 3HG1 VAL 47 5.114 2.154 -2.873 318 1HG2 VAL 47 1HG2 VAL 47 4.300 1.054 0.526 319 2HG2 VAL 47 2HG2 VAL 47 3.241 2.408 0.921 320 3HG2 VAL 47 3HG2 VAL 47 4.986 2.649 0.840 321 H SER 48 H SER 48 4.426 4.974 1.004 322 HA SER 48 HA SER 48 6.868 6.221 -0.064 323 1HB SER 48 2HB SER 48 5.121 7.883 0.359 324 2HB SER 48 1HB SER 48 4.970 7.326 2.024 325 HG SER 48 HG SER 48 6.586 9.184 1.101 326 H GLN 49 H GLN 49 5.479 5.558 3.191 327 HA GLN 49 HA GLN 49 8.095 4.414 3.918 328 1HB GLN 49 2HB GLN 49 6.481 6.369 5.563 329 2HB GLN 49 1HB GLN 49 7.867 5.474 6.163 330 1HG GLN 49 2HG GLN 49 9.275 6.582 4.470 331 2HG GLN 49 1HG GLN 49 7.872 7.533 3.973 332 1HE2 GLN 49 1HE2 GLN 49 10.255 7.010 6.437 333 2HE2 GLN 49 2HE2 GLN 49 9.908 8.430 7.370 334 H ILE 50 H ILE 50 8.084 2.790 5.424 335 HA ILE 50 HA ILE 50 5.451 1.730 6.217 336 HB ILE 50 HB ILE 50 8.139 0.331 6.310 337 1HG1 ILE 50 2HG1 ILE 50 7.541 0.810 3.990 338 2HG1 ILE 50 1HG1 ILE 50 7.375 -0.911 4.317 339 1HG2 ILE 50 1HG2 ILE 50 6.533 -0.577 7.886 340 2HG2 ILE 50 2HG2 ILE 50 6.802 -1.714 6.567 341 3HG2 ILE 50 3HG2 ILE 50 5.334 -0.737 6.605 342 1HD1 ILE 50 1HD1 ILE 50 4.963 -0.647 4.516 343 2HD1 ILE 50 2HD1 ILE 50 5.545 -0.078 2.950 344 3HD1 ILE 50 3HD1 ILE 50 5.121 1.082 4.210 345 H ILE 51 H ILE 51 8.217 3.347 7.239 346 HA ILE 51 HA ILE 51 9.027 4.112 9.199 347 HB ILE 51 HB ILE 51 6.278 3.589 10.345 348 1HG1 ILE 51 2HG1 ILE 51 7.281 5.945 8.724 349 2HG1 ILE 51 1HG1 ILE 51 6.038 4.798 8.234 350 1HG2 ILE 51 1HG2 ILE 51 6.820 5.566 11.738 351 2HG2 ILE 51 2HG2 ILE 51 8.435 5.595 11.028 352 3HG2 ILE 51 3HG2 ILE 51 7.926 4.219 12.006 353 1HD1 ILE 51 1HD1 ILE 51 5.834 6.709 10.553 354 2HD1 ILE 51 2HD1 ILE 51 4.586 5.591 10.005 355 3HD1 ILE 51 3HD1 ILE 51 5.091 6.923 8.967 356 H GLU 52 H GLU 52 9.742 1.594 8.712 357 HA GLU 52 HA GLU 52 9.301 -0.176 10.892 358 1HB GLU 52 2HB GLU 52 10.045 -0.983 8.700 359 2HB GLU 52 1HB GLU 52 11.539 -0.070 8.851 360 1HG GLU 52 2HG GLU 52 11.856 -2.449 9.302 361 2HG GLU 52 1HG GLU 52 12.236 -1.451 10.704 362 H ARG 53 H ARG 53 9.866 0.372 12.890 363 HA ARG 53 HA ARG 53 11.838 2.330 13.456 364 1HB ARG 53 2HB ARG 53 11.439 1.489 15.876 365 2HB ARG 53 1HB ARG 53 10.146 2.317 15.029 366 1HG ARG 53 2HG ARG 53 9.152 0.493 16.134 367 2HG ARG 53 1HG ARG 53 9.231 0.041 14.433 368 1HD ARG 53 2HD ARG 53 11.631 -0.827 15.656 369 2HD ARG 53 1HD ARG 53 10.299 -1.313 16.706 370 HE ARG 53 HE ARG 53 10.110 -1.917 13.839 371 1HH1 ARG 53 1HH1 ARG 53 10.656 -3.044 17.104 372 2HH1 ARG 53 2HH1 ARG 53 10.335 -4.708 16.732 373 1HH2 ARG 53 1HH2 ARG 53 9.690 -4.078 13.323 374 2HH2 ARG 53 2HH2 ARG 53 9.771 -5.304 14.559 Start of MODEL 13 1 H ASP 4 H ASP 4 5.282 -4.510 12.868 2 HA ASP 4 HA ASP 4 5.652 -1.643 12.573 3 1HB ASP 4 2HB ASP 4 6.918 -2.286 10.498 4 2HB ASP 4 1HB ASP 4 7.582 -2.927 11.993 5 H TYR 5 H TYR 5 3.796 -0.712 12.108 6 HA TYR 5 HA TYR 5 2.366 -1.604 9.709 7 1HB TYR 5 2HB TYR 5 0.244 -0.840 10.898 8 2HB TYR 5 1HB TYR 5 0.958 -2.348 11.452 9 HD1 TYR 5 HD2 TYR 5 1.917 1.165 12.323 10 HD2 TYR 5 HD1 TYR 5 0.284 -2.529 13.666 11 HE1 TYR 5 HE2 TYR 5 1.909 2.017 14.623 12 HE2 TYR 5 HE1 TYR 5 0.277 -1.685 15.978 13 HH TYR 5 HH TYR 5 0.803 1.619 16.726 14 H VAL 6 H VAL 6 0.511 0.324 9.458 15 HA VAL 6 HA VAL 6 0.079 2.464 8.842 16 HB VAL 6 HB VAL 6 2.535 3.160 10.458 17 1HG1 VAL 6 1HG1 VAL 6 1.814 5.480 10.298 18 2HG1 VAL 6 2HG1 VAL 6 0.478 5.007 9.249 19 3HG1 VAL 6 3HG1 VAL 6 2.142 4.822 8.693 20 1HG2 VAL 6 1HG2 VAL 6 -0.414 3.430 11.041 21 2HG2 VAL 6 2HG2 VAL 6 0.884 4.047 12.062 22 3HG2 VAL 6 3HG2 VAL 6 0.710 2.309 11.812 23 H MET 7 H MET 7 0.269 3.032 6.807 24 HA MET 7 HA MET 7 2.951 3.000 5.594 25 1HB MET 7 2HB MET 7 1.594 1.111 4.804 26 2HB MET 7 1HB MET 7 0.332 2.223 4.296 27 1HG MET 7 2HG MET 7 1.839 3.201 2.656 28 2HG MET 7 1HG MET 7 3.127 2.124 3.190 29 1HE MET 7 1HE MET 7 -0.388 2.352 1.436 30 2HE MET 7 2HE MET 7 -0.700 1.254 2.780 31 3HE MET 7 3HE MET 7 -0.733 0.651 1.122 32 H ALA 8 H ALA 8 3.521 5.052 5.320 33 HA ALA 8 HA ALA 8 1.553 7.076 4.645 34 1HB ALA 8 1HB ALA 8 3.318 7.620 6.252 35 2HB ALA 8 2HB ALA 8 3.400 8.658 4.830 36 3HB ALA 8 3HB ALA 8 4.539 7.324 5.013 37 H THR 9 H THR 9 1.126 7.739 2.632 38 HA THR 9 HA THR 9 2.887 6.716 0.502 39 HB THR 9 HB THR 9 0.803 6.626 -0.913 40 HG1 THR 9 HG1 THR 9 -0.654 6.450 1.475 41 1HG2 THR 9 1HG2 THR 9 1.811 4.606 -0.024 42 2HG2 THR 9 2HG2 THR 9 0.052 4.483 0.053 43 3HG2 THR 9 3HG2 THR 9 0.976 4.841 1.512 44 H LYS 10 H LYS 10 2.037 7.792 -1.673 45 HA LYS 10 HA LYS 10 3.223 10.040 -2.251 46 1HB LYS 10 2HB LYS 10 1.915 8.776 -3.850 47 2HB LYS 10 1HB LYS 10 0.422 9.363 -3.130 48 1HG LYS 10 2HG LYS 10 0.876 11.595 -3.870 49 2HG LYS 10 1HG LYS 10 2.479 11.126 -4.445 50 1HD LYS 10 2HD LYS 10 0.901 11.287 -6.295 51 2HD LYS 10 1HD LYS 10 1.439 9.619 -6.075 52 1HE LYS 10 2HE LYS 10 -0.640 9.238 -4.716 53 2HE LYS 10 1HE LYS 10 -1.181 10.838 -5.221 54 1HZ LYS 10 1HZ LYS 10 -2.129 9.159 -6.636 55 2HZ LYS 10 2HZ LYS 10 -0.594 8.532 -6.996 56 3HZ LYS 10 3HZ LYS 10 -1.025 10.082 -7.535 57 H ASP 11 H ASP 11 -0.171 10.225 -1.131 58 HA ASP 11 HA ASP 11 -0.144 13.086 -1.299 59 1HB ASP 11 2HB ASP 11 -2.250 11.316 -0.052 60 2HB ASP 11 1HB ASP 11 -2.451 12.982 -0.572 61 H GLY 12 H GLY 12 1.347 11.294 0.896 62 1HA GLY 12 2HA GLY 12 2.055 11.694 3.057 63 2HA GLY 12 1HA GLY 12 1.265 13.266 2.958 64 H ARG 13 H ARG 13 -0.381 10.279 2.345 65 HA ARG 13 HA ARG 13 -2.171 10.866 4.575 66 1HB ARG 13 2HB ARG 13 -3.720 9.296 3.453 67 2HB ARG 13 1HB ARG 13 -3.243 10.624 2.406 68 1HG ARG 13 2HG ARG 13 -1.409 8.923 1.620 69 2HG ARG 13 1HG ARG 13 -2.552 7.740 2.250 70 1HD ARG 13 2HD ARG 13 -3.205 9.855 0.205 71 2HD ARG 13 1HD ARG 13 -2.838 8.175 -0.163 72 HE ARG 13 HE ARG 13 -4.926 8.103 1.634 73 1HH1 ARG 13 1HH1 ARG 13 -4.324 9.505 -1.524 74 2HH1 ARG 13 2HH1 ARG 13 -5.973 9.331 -2.063 75 1HH2 ARG 13 1HH2 ARG 13 -7.100 7.856 0.930 76 2HH2 ARG 13 2HH2 ARG 13 -7.556 8.415 -0.655 77 H MET 14 H MET 14 -2.264 9.624 6.320 78 HA MET 14 HA MET 14 -0.324 7.484 6.575 79 1HB MET 14 2HB MET 14 -2.213 8.594 8.663 80 2HB MET 14 1HB MET 14 -0.801 7.588 8.950 81 1HG MET 14 2HG MET 14 -0.728 10.367 7.800 82 2HG MET 14 1HG MET 14 -0.438 9.961 9.489 83 1HE MET 14 1HE MET 14 1.700 8.831 10.408 84 2HE MET 14 2HE MET 14 2.889 8.009 9.402 85 3HE MET 14 3HE MET 14 1.240 7.389 9.502 86 H ILE 15 H ILE 15 -1.147 5.721 5.493 87 HA ILE 15 HA ILE 15 -3.887 4.907 5.874 88 HB ILE 15 HB ILE 15 -1.617 3.434 4.523 89 1HG1 ILE 15 2HG1 ILE 15 -3.824 5.161 3.367 90 2HG1 ILE 15 1HG1 ILE 15 -2.119 5.588 3.453 91 1HG2 ILE 15 1HG2 ILE 15 -4.598 2.958 4.408 92 2HG2 ILE 15 2HG2 ILE 15 -3.417 1.940 5.232 93 3HG2 ILE 15 3HG2 ILE 15 -3.375 2.093 3.476 94 1HD1 ILE 15 1HD1 ILE 15 -2.748 4.874 1.221 95 2HD1 ILE 15 2HD1 ILE 15 -3.287 3.320 1.857 96 3HD1 ILE 15 3HD1 ILE 15 -1.582 3.762 1.937 97 H LEU 16 H LEU 16 -4.496 4.023 7.715 98 HA LEU 16 HA LEU 16 -2.644 2.702 9.458 99 1HB LEU 16 2HB LEU 16 -5.632 3.074 9.630 100 2HB LEU 16 1HB LEU 16 -4.668 2.294 10.871 101 HG LEU 16 HG LEU 16 -4.459 5.175 9.994 102 1HD1 LEU 16 1HD1 LEU 16 -5.401 3.929 12.573 103 2HD1 LEU 16 2HD1 LEU 16 -6.417 4.705 11.358 104 3HD1 LEU 16 3HD1 LEU 16 -5.236 5.656 12.259 105 1HD2 LEU 16 1HD2 LEU 16 -2.816 5.415 11.783 106 2HD2 LEU 16 2HD2 LEU 16 -2.264 4.261 10.570 107 3HD2 LEU 16 3HD2 LEU 16 -2.904 3.683 12.109 108 H THR 17 H THR 17 -1.903 0.904 8.534 109 HA THR 17 HA THR 17 -3.770 -1.103 7.537 110 HB THR 17 HB THR 17 -1.589 -2.262 6.863 111 HG1 THR 17 HG1 THR 17 -0.096 -0.059 6.758 112 1HG2 THR 17 1HG2 THR 17 -1.230 -0.776 4.920 113 2HG2 THR 17 2HG2 THR 17 -2.202 0.466 5.710 114 3HG2 THR 17 3HG2 THR 17 -2.944 -1.060 5.231 115 H ASP 18 H ASP 18 -3.574 -3.324 8.257 116 HA ASP 18 HA ASP 18 -3.114 -3.792 11.001 117 1HB ASP 18 2HB ASP 18 -4.441 -5.310 9.552 118 2HB ASP 18 1HB ASP 18 -2.973 -5.755 8.687 119 H GLY 19 H GLY 19 -1.145 -4.270 8.130 120 1HA GLY 19 2HA GLY 19 1.038 -2.948 8.646 121 2HA GLY 19 1HA GLY 19 1.296 -4.294 9.751 122 H LYS 20 H LYS 20 3.134 -3.816 7.613 123 HA LYS 20 HA LYS 20 4.330 -5.309 6.421 124 1HB LYS 20 2HB LYS 20 2.352 -7.254 7.578 125 2HB LYS 20 1HB LYS 20 3.737 -7.743 6.601 126 1HG LYS 20 2HG LYS 20 5.205 -6.525 8.196 127 2HG LYS 20 1HG LYS 20 3.792 -6.243 9.205 128 1HD LYS 20 2HD LYS 20 3.507 -8.614 9.540 129 2HD LYS 20 1HD LYS 20 4.839 -8.961 8.431 130 1HE LYS 20 2HE LYS 20 6.366 -7.735 9.909 131 2HE LYS 20 1HE LYS 20 5.034 -7.430 11.018 132 1HZ LYS 20 1HZ LYS 20 6.457 -9.286 11.691 133 2HZ LYS 20 2HZ LYS 20 6.030 -10.127 10.287 134 3HZ LYS 20 3HZ LYS 20 4.848 -9.757 11.452 135 HA PRO 21 HA PRO 21 1.572 -5.111 2.796 136 1HB PRO 21 2HB PRO 21 2.913 -3.257 1.415 137 2HB PRO 21 1HB PRO 21 1.817 -2.814 2.728 138 1HG PRO 21 2HG PRO 21 4.799 -2.961 2.717 139 2HG PRO 21 1HG PRO 21 3.734 -1.776 3.495 140 1HD PRO 21 2HD PRO 21 4.929 -3.932 4.770 141 2HD PRO 21 1HD PRO 21 3.507 -3.053 5.364 142 H GLU 22 H GLU 22 1.856 -6.180 0.905 143 HA GLU 22 HA GLU 22 4.465 -7.439 0.463 144 1HB GLU 22 2HB GLU 22 2.596 -8.986 0.641 145 2HB GLU 22 1HB GLU 22 1.709 -8.099 -0.591 146 1HG GLU 22 2HG GLU 22 3.593 -8.659 -2.172 147 2HG GLU 22 1HG GLU 22 4.181 -9.767 -0.935 148 H ILE 23 H ILE 23 5.726 -6.311 -0.902 149 HA ILE 23 HA ILE 23 4.557 -4.796 -3.069 150 HB ILE 23 HB ILE 23 7.475 -5.379 -2.543 151 1HG1 ILE 23 2HG1 ILE 23 5.742 -3.042 -1.708 152 2HG1 ILE 23 1HG1 ILE 23 6.479 -4.227 -0.640 153 1HG2 ILE 23 1HG2 ILE 23 7.867 -3.432 -3.984 154 2HG2 ILE 23 2HG2 ILE 23 6.129 -3.288 -4.253 155 3HG2 ILE 23 3HG2 ILE 23 7.000 -4.708 -4.838 156 1HD1 ILE 23 1HD1 ILE 23 8.695 -3.423 -1.294 157 2HD1 ILE 23 2HD1 ILE 23 7.706 -2.152 -0.578 158 3HD1 ILE 23 3HD1 ILE 23 7.938 -2.208 -2.326 159 H ASP 24 H ASP 24 3.703 -5.982 -4.639 160 HA ASP 24 HA ASP 24 4.568 -8.621 -5.234 161 1HB ASP 24 2HB ASP 24 2.263 -8.124 -5.542 162 2HB ASP 24 1HB ASP 24 2.624 -6.756 -6.591 163 H ASP 25 H ASP 25 5.592 -9.436 -6.977 164 HA ASP 25 HA ASP 25 7.480 -7.648 -8.271 165 1HB ASP 25 2HB ASP 25 8.390 -9.622 -7.236 166 2HB ASP 25 1HB ASP 25 7.260 -10.657 -8.097 167 H ASP 26 H ASP 26 4.602 -9.391 -9.013 168 HA ASP 26 HA ASP 26 5.069 -9.748 -11.806 169 1HB ASP 26 2HB ASP 26 3.451 -11.144 -10.619 170 2HB ASP 26 1HB ASP 26 2.479 -9.724 -10.241 171 H THR 27 H THR 27 2.777 -7.573 -10.125 172 HA THR 27 HA THR 27 2.892 -5.849 -12.517 173 HB THR 27 HB THR 27 0.669 -6.694 -12.179 174 HG1 THR 27 HG1 THR 27 1.122 -3.974 -11.605 175 1HG2 THR 27 1HG2 THR 27 0.818 -5.541 -9.399 176 2HG2 THR 27 2HG2 THR 27 0.781 -7.253 -9.819 177 3HG2 THR 27 3HG2 THR 27 -0.619 -6.236 -10.149 178 H GLY 28 H GLY 28 3.989 -6.020 -9.391 179 1HA GLY 28 2HA GLY 28 5.310 -4.490 -8.284 180 2HA GLY 28 1HA GLY 28 4.990 -3.343 -9.578 181 H LEU 29 H LEU 29 2.417 -4.916 -7.836 182 HA LEU 29 HA LEU 29 1.674 -2.304 -6.775 183 1HB LEU 29 2HB LEU 29 0.016 -4.817 -6.990 184 2HB LEU 29 1HB LEU 29 -0.557 -3.262 -6.415 185 HG LEU 29 HG LEU 29 0.302 -3.961 -9.221 186 1HD1 LEU 29 1HD1 LEU 29 -2.009 -3.345 -9.766 187 2HD1 LEU 29 2HD1 LEU 29 -2.337 -3.100 -8.051 188 3HD1 LEU 29 3HD1 LEU 29 -1.926 -4.708 -8.651 189 1HD2 LEU 29 1HD2 LEU 29 1.097 -1.725 -8.687 190 2HD2 LEU 29 2HD2 LEU 29 -0.507 -1.280 -8.104 191 3HD2 LEU 29 3HD2 LEU 29 -0.259 -1.655 -9.811 192 H VAL 30 H VAL 30 1.312 -1.952 -4.620 193 HA VAL 30 HA VAL 30 2.612 -3.870 -2.847 194 HB VAL 30 HB VAL 30 1.708 -1.044 -2.268 195 1HG1 VAL 30 1HG1 VAL 30 3.156 -1.204 -0.311 196 2HG1 VAL 30 2HG1 VAL 30 3.521 -2.881 -0.715 197 3HG1 VAL 30 3HG1 VAL 30 1.880 -2.420 -0.266 198 1HG2 VAL 30 1HG2 VAL 30 3.427 -1.075 -3.985 199 2HG2 VAL 30 2HG2 VAL 30 4.444 -2.097 -2.967 200 3HG2 VAL 30 3HG2 VAL 30 4.074 -0.445 -2.469 201 H SER 31 H SER 31 1.222 -5.411 -2.298 202 HA SER 31 HA SER 31 -1.563 -4.968 -1.791 203 1HB SER 31 2HB SER 31 0.035 -7.397 -0.996 204 2HB SER 31 1HB SER 31 -1.668 -7.315 -1.430 205 HG SER 31 HG SER 31 0.222 -7.984 -3.019 206 H TYR 32 H TYR 32 -2.305 -4.058 0.038 207 HA TYR 32 HA TYR 32 -0.825 -4.609 2.516 208 1HB TYR 32 2HB TYR 32 -1.391 -2.378 3.324 209 2HB TYR 32 1HB TYR 32 -0.499 -2.278 1.812 210 HD1 TYR 32 HD1 TYR 32 -1.739 -1.746 -0.302 211 HD2 TYR 32 HD2 TYR 32 -3.564 -1.488 3.526 212 HE1 TYR 32 HE1 TYR 32 -3.512 -0.333 -1.248 213 HE2 TYR 32 HE2 TYR 32 -5.339 -0.072 2.594 214 HH TYR 32 HH TYR 32 -5.819 1.308 0.768 215 H HIS 33 H HIS 33 -2.283 -4.015 4.474 216 HA HIS 33 HA HIS 33 -4.961 -5.153 4.023 217 1HB HIS 33 2HB HIS 33 -3.203 -5.735 6.419 218 2HB HIS 33 1HB HIS 33 -4.775 -6.441 6.068 219 HD1 HIS 33 HD1 HIS 33 -1.223 -7.026 5.679 220 HD2 HIS 33 HD2 HIS 33 -4.686 -8.183 3.693 221 HE1 HIS 33 HE1 HIS 33 -0.571 -9.015 4.296 222 HE2 HIS 33 HE2 HIS 33 -2.734 -9.837 3.291 223 H ASP 34 H ASP 34 -6.314 -3.488 4.445 224 HA ASP 34 HA ASP 34 -5.839 -1.394 6.271 225 1HB ASP 34 2HB ASP 34 -8.307 -2.541 5.019 226 2HB ASP 34 1HB ASP 34 -8.472 -1.385 6.332 227 H GLN 35 H GLN 35 -6.595 -1.087 8.407 228 HA GLN 35 HA GLN 35 -6.670 -3.330 10.111 229 1HB GLN 35 2HB GLN 35 -7.622 -1.710 11.796 230 2HB GLN 35 1HB GLN 35 -6.097 -1.224 11.074 231 1HG GLN 35 2HG GLN 35 -7.142 0.399 9.718 232 2HG GLN 35 1HG GLN 35 -8.746 -0.248 10.051 233 1HE2 GLN 35 1HE2 GLN 35 -9.758 0.246 11.962 234 2HE2 GLN 35 2HE2 GLN 35 -9.194 1.490 13.031 235 H GLN 36 H GLN 36 -9.023 -1.947 8.085 236 HA GLN 36 HA GLN 36 -11.313 -2.962 9.530 237 1HB GLN 36 2HB GLN 36 -11.218 -1.835 6.729 238 2HB GLN 36 1HB GLN 36 -12.633 -2.007 7.759 239 1HG GLN 36 2HG GLN 36 -10.305 -0.149 8.198 240 2HG GLN 36 1HG GLN 36 -11.934 0.297 7.689 241 1HE2 GLN 36 1HE2 GLN 36 -13.583 0.351 9.188 242 2HE2 GLN 36 2HE2 GLN 36 -13.297 0.264 10.893 243 H GLY 37 H GLY 37 -8.998 -4.427 7.751 244 1HA GLY 37 2HA GLY 37 -9.002 -6.726 7.247 245 2HA GLY 37 1HA GLY 37 -10.756 -6.691 7.183 246 H ASN 38 H ASN 38 -9.306 -4.152 5.462 247 HA ASN 38 HA ASN 38 -10.254 -5.282 2.979 248 1HB ASN 38 2HB ASN 38 -8.967 -2.618 3.603 249 2HB ASN 38 1HB ASN 38 -9.549 -3.084 2.010 250 1HD2 ASN 38 1HD2 ASN 38 -10.344 -0.920 3.857 251 2HD2 ASN 38 2HD2 ASN 38 -12.060 -1.121 4.062 252 H ALA 39 H ALA 39 -9.028 -6.666 1.902 253 HA ALA 39 HA ALA 39 -6.123 -6.325 1.877 254 1HB ALA 39 1HB ALA 39 -6.983 -8.572 2.318 255 2HB ALA 39 2HB ALA 39 -6.063 -8.525 0.814 256 3HB ALA 39 3HB ALA 39 -7.826 -8.555 0.768 257 H MET 40 H MET 40 -5.438 -4.888 0.411 258 HA MET 40 HA MET 40 -6.102 -5.269 -2.365 259 1HB MET 40 2HB MET 40 -6.809 -2.867 -2.689 260 2HB MET 40 1HB MET 40 -7.986 -3.911 -1.909 261 1HG MET 40 2HG MET 40 -7.186 -3.001 0.284 262 2HG MET 40 1HG MET 40 -6.246 -1.824 -0.633 263 1HE MET 40 1HE MET 40 -9.305 0.242 0.799 264 2HE MET 40 2HE MET 40 -7.549 0.109 0.753 265 3HE MET 40 3HE MET 40 -8.503 -1.119 1.587 266 H GLN 41 H GLN 41 -5.056 -3.105 -3.562 267 HA GLN 41 HA GLN 41 -2.313 -3.108 -2.463 268 1HB GLN 41 2HB GLN 41 -3.057 -3.489 -5.370 269 2HB GLN 41 1HB GLN 41 -1.430 -3.454 -4.706 270 1HG GLN 41 2HG GLN 41 -1.586 -5.669 -4.647 271 2HG GLN 41 1HG GLN 41 -2.617 -5.432 -3.241 272 1HE2 GLN 41 1HE2 GLN 41 -4.738 -4.242 -4.941 273 2HE2 GLN 41 2HE2 GLN 41 -5.499 -5.588 -5.719 274 H ILE 42 H ILE 42 -0.957 -1.346 -3.136 275 HA ILE 42 HA ILE 42 -2.300 0.754 -4.715 276 HB ILE 42 HB ILE 42 -0.957 2.469 -3.711 277 1HG1 ILE 42 2HG1 ILE 42 0.273 0.598 -1.734 278 2HG1 ILE 42 1HG1 ILE 42 0.999 0.746 -3.331 279 1HG2 ILE 42 1HG2 ILE 42 -2.992 1.864 -2.497 280 2HG2 ILE 42 2HG2 ILE 42 -1.738 2.457 -1.408 281 3HG2 ILE 42 3HG2 ILE 42 -2.063 0.728 -1.516 282 1HD1 ILE 42 1HD1 ILE 42 1.294 3.114 -3.007 283 2HD1 ILE 42 2HD1 ILE 42 2.032 2.215 -1.678 284 3HD1 ILE 42 3HD1 ILE 42 0.482 3.022 -1.443 285 H ASN 43 H ASN 43 -0.369 2.207 -5.687 286 HA ASN 43 HA ASN 43 1.200 0.343 -7.279 287 1HB ASN 43 2HB ASN 43 -0.027 2.255 -8.296 288 2HB ASN 43 1HB ASN 43 1.040 3.355 -7.444 289 1HD2 ASN 43 1HD2 ASN 43 1.795 4.246 -9.335 290 2HD2 ASN 43 2HD2 ASN 43 2.872 3.404 -10.402 291 H ARG 44 H ARG 44 3.450 0.266 -7.344 292 HA ARG 44 HA ARG 44 4.781 0.842 -4.908 293 1HB ARG 44 2HB ARG 44 6.787 0.002 -5.983 294 2HB ARG 44 1HB ARG 44 5.425 -1.039 -6.361 295 1HG ARG 44 2HG ARG 44 5.250 -0.086 -8.570 296 2HG ARG 44 1HG ARG 44 6.517 1.085 -8.197 297 1HD ARG 44 2HD ARG 44 8.098 -0.772 -7.863 298 2HD ARG 44 1HD ARG 44 6.830 -1.913 -8.302 299 HE ARG 44 HE ARG 44 6.813 -0.754 -10.522 300 1HH1 ARG 44 1HH1 ARG 44 9.636 -0.650 -8.462 301 2HH1 ARG 44 2HH1 ARG 44 10.758 -0.499 -9.777 302 1HH2 ARG 44 1HH2 ARG 44 8.298 -0.580 -12.279 303 2HH2 ARG 44 2HH2 ARG 44 10.003 -0.458 -11.942 304 H ASP 45 H ASP 45 4.194 2.717 -7.681 305 HA ASP 45 HA ASP 45 6.448 4.489 -7.338 306 1HB ASP 45 2HB ASP 45 5.511 4.088 -9.575 307 2HB ASP 45 1HB ASP 45 3.967 4.751 -9.056 308 H ASP 46 H ASP 46 3.368 4.105 -5.966 309 HA ASP 46 HA ASP 46 3.122 6.942 -5.268 310 1HB ASP 46 2HB ASP 46 1.171 4.639 -5.123 311 2HB ASP 46 1HB ASP 46 0.832 6.235 -4.460 312 H VAL 47 H VAL 47 4.777 4.552 -4.042 313 HA VAL 47 HA VAL 47 3.905 4.671 -1.273 314 HB VAL 47 HB VAL 47 6.466 3.448 -2.306 315 1HG1 VAL 47 1HG1 VAL 47 4.796 2.836 0.126 316 2HG1 VAL 47 2HG1 VAL 47 6.305 3.751 0.115 317 3HG1 VAL 47 3HG1 VAL 47 6.304 2.043 -0.328 318 1HG2 VAL 47 1HG2 VAL 47 5.321 1.328 -2.514 319 2HG2 VAL 47 2HG2 VAL 47 4.563 2.529 -3.563 320 3HG2 VAL 47 3HG2 VAL 47 3.799 2.078 -2.040 321 H SER 48 H SER 48 4.666 6.107 0.194 322 HA SER 48 HA SER 48 6.767 7.939 -0.652 323 1HB SER 48 2HB SER 48 4.761 8.954 0.271 324 2HB SER 48 1HB SER 48 4.903 7.993 1.740 325 HG SER 48 HG SER 48 6.918 9.802 0.881 326 H GLN 49 H GLN 49 6.039 6.393 2.494 327 HA GLN 49 HA GLN 49 8.356 4.836 2.642 328 1HB GLN 49 2HB GLN 49 9.515 7.030 2.702 329 2HB GLN 49 1HB GLN 49 8.587 7.463 4.132 330 1HG GLN 49 2HG GLN 49 9.638 5.728 5.411 331 2HG GLN 49 1HG GLN 49 10.457 5.111 3.979 332 1HE2 GLN 49 1HE2 GLN 49 12.225 6.202 3.165 333 2HE2 GLN 49 2HE2 GLN 49 13.062 7.414 4.072 334 H ILE 50 H ILE 50 8.380 3.585 4.525 335 HA ILE 50 HA ILE 50 6.013 3.730 6.182 336 HB ILE 50 HB ILE 50 8.406 1.893 6.449 337 1HG1 ILE 50 2HG1 ILE 50 7.381 1.603 4.253 338 2HG1 ILE 50 1HG1 ILE 50 7.023 0.213 5.273 339 1HG2 ILE 50 1HG2 ILE 50 6.852 0.453 7.710 340 2HG2 ILE 50 2HG2 ILE 50 5.617 1.705 7.581 341 3HG2 ILE 50 3HG2 ILE 50 7.098 2.020 8.483 342 1HD1 ILE 50 1HD1 ILE 50 5.080 0.846 3.993 343 2HD1 ILE 50 2HD1 ILE 50 5.159 2.488 4.633 344 3HD1 ILE 50 3HD1 ILE 50 4.792 1.140 5.709 345 H ILE 51 H ILE 51 5.928 4.991 7.940 346 HA ILE 51 HA ILE 51 8.472 5.861 9.124 347 HB ILE 51 HB ILE 51 7.352 7.734 8.151 348 1HG1 ILE 51 2HG1 ILE 51 6.898 7.762 11.142 349 2HG1 ILE 51 1HG1 ILE 51 8.424 8.114 10.338 350 1HG2 ILE 51 1HG2 ILE 51 5.108 6.839 7.974 351 2HG2 ILE 51 2HG2 ILE 51 5.075 8.412 8.773 352 3HG2 ILE 51 3HG2 ILE 51 4.909 6.936 9.724 353 1HD1 ILE 51 1HD1 ILE 51 5.881 9.714 10.178 354 2HD1 ILE 51 2HD1 ILE 51 7.333 10.042 9.232 355 3HD1 ILE 51 3HD1 ILE 51 7.381 10.166 10.991 356 H GLU 52 H GLU 52 8.904 5.199 11.086 357 HA GLU 52 HA GLU 52 6.889 3.812 12.643 358 1HB GLU 52 2HB GLU 52 9.187 2.897 12.287 359 2HB GLU 52 1HB GLU 52 9.833 4.236 13.223 360 1HG GLU 52 2HG GLU 52 8.629 3.460 15.190 361 2HG GLU 52 1HG GLU 52 7.932 2.138 14.255 362 H ARG 53 H ARG 53 6.143 6.397 12.529 363 HA ARG 53 HA ARG 53 6.097 7.147 15.275 364 1HB ARG 53 2HB ARG 53 8.354 8.044 14.382 365 2HB ARG 53 1HB ARG 53 7.380 9.207 13.489 366 1HG ARG 53 2HG ARG 53 6.510 10.141 15.488 367 2HG ARG 53 1HG ARG 53 7.190 8.839 16.463 368 1HD ARG 53 2HD ARG 53 9.466 9.625 15.671 369 2HD ARG 53 1HD ARG 53 8.645 11.055 15.043 370 HE ARG 53 HE ARG 53 7.965 10.581 17.770 371 1HH1 ARG 53 1HH1 ARG 53 10.518 11.867 15.730 372 2HH1 ARG 53 2HH1 ARG 53 11.158 12.895 16.977 373 1HH2 ARG 53 1HH2 ARG 53 8.832 11.921 19.411 374 2HH2 ARG 53 2HH2 ARG 53 10.206 12.925 19.059 Start of MODEL 14 1 H ASP 4 H ASP 4 7.379 -1.454 9.975 2 HA ASP 4 HA ASP 4 5.491 -2.390 9.138 3 1HB ASP 4 2HB ASP 4 6.700 -4.476 9.735 4 2HB ASP 4 1HB ASP 4 5.914 -4.462 11.308 5 H TYR 5 H TYR 5 4.650 -0.344 10.226 6 HA TYR 5 HA TYR 5 2.164 -0.984 11.510 7 1HB TYR 5 2HB TYR 5 3.676 -0.932 13.461 8 2HB TYR 5 1HB TYR 5 4.211 0.681 13.007 9 HD1 TYR 5 HD2 TYR 5 1.362 -1.282 14.293 10 HD2 TYR 5 HD1 TYR 5 2.907 2.609 13.534 11 HE1 TYR 5 HE2 TYR 5 -0.449 -0.306 15.639 12 HE2 TYR 5 HE1 TYR 5 1.100 3.596 14.880 13 HH TYR 5 HH TYR 5 -1.203 2.977 15.606 14 H VAL 6 H VAL 6 0.838 0.174 10.319 15 HA VAL 6 HA VAL 6 -0.142 1.828 9.139 16 HB VAL 6 HB VAL 6 0.745 3.139 11.337 17 1HG1 VAL 6 1HG1 VAL 6 2.818 3.899 10.294 18 2HG1 VAL 6 2HG1 VAL 6 1.759 5.256 10.682 19 3HG1 VAL 6 3HG1 VAL 6 1.891 4.686 9.018 20 1HG2 VAL 6 1HG2 VAL 6 -0.678 4.329 8.966 21 2HG2 VAL 6 2HG2 VAL 6 -0.659 5.017 10.590 22 3HG2 VAL 6 3HG2 VAL 6 -1.410 3.446 10.307 23 H MET 7 H MET 7 0.115 3.202 7.260 24 HA MET 7 HA MET 7 2.823 3.141 6.112 25 1HB MET 7 2HB MET 7 1.602 1.268 5.150 26 2HB MET 7 1HB MET 7 0.279 2.333 4.692 27 1HG MET 7 2HG MET 7 1.720 3.495 3.131 28 2HG MET 7 1HG MET 7 3.093 2.514 3.636 29 1HE MET 7 1HE MET 7 -0.577 0.808 1.417 30 2HE MET 7 2HE MET 7 -0.384 2.522 1.779 31 3HE MET 7 3HE MET 7 -0.626 1.367 3.090 32 H ALA 8 H ALA 8 3.462 4.990 5.231 33 HA ALA 8 HA ALA 8 1.447 7.080 4.739 34 1HB ALA 8 1HB ALA 8 3.106 7.657 6.451 35 2HB ALA 8 2HB ALA 8 3.252 8.699 5.035 36 3HB ALA 8 3HB ALA 8 4.403 7.386 5.286 37 H THR 9 H THR 9 1.032 7.520 2.685 38 HA THR 9 HA THR 9 2.829 6.434 0.663 39 HB THR 9 HB THR 9 0.941 6.960 -0.906 40 HG1 THR 9 HG1 THR 9 -1.070 7.444 0.059 41 1HG2 THR 9 1HG2 THR 9 0.299 5.184 1.453 42 2HG2 THR 9 2HG2 THR 9 1.252 4.728 0.040 43 3HG2 THR 9 3HG2 THR 9 -0.461 5.104 -0.136 44 H LYS 10 H LYS 10 2.553 7.838 -1.486 45 HA LYS 10 HA LYS 10 4.418 9.837 -1.350 46 1HB LYS 10 2HB LYS 10 3.845 8.782 -3.429 47 2HB LYS 10 1HB LYS 10 2.199 9.390 -3.346 48 1HG LYS 10 2HG LYS 10 2.940 11.631 -3.742 49 2HG LYS 10 1HG LYS 10 4.632 11.139 -3.622 50 1HD LYS 10 2HD LYS 10 3.944 11.418 -5.954 51 2HD LYS 10 1HD LYS 10 4.371 9.742 -5.607 52 1HE LYS 10 2HE LYS 10 2.373 9.749 -6.931 53 2HE LYS 10 1HE LYS 10 1.952 9.256 -5.293 54 1HZ LYS 10 1HZ LYS 10 1.337 11.672 -4.925 55 2HZ LYS 10 2HZ LYS 10 0.313 10.775 -5.928 56 3HZ LYS 10 3HZ LYS 10 1.426 11.860 -6.610 57 H ASP 11 H ASP 11 0.896 10.250 -1.399 58 HA ASP 11 HA ASP 11 0.970 13.066 -1.607 59 1HB ASP 11 2HB ASP 11 -0.939 11.420 -2.149 60 2HB ASP 11 1HB ASP 11 -1.341 11.544 -0.440 61 H GLY 12 H GLY 12 1.336 10.961 1.079 62 1HA GLY 12 2HA GLY 12 2.200 11.777 3.147 63 2HA GLY 12 1HA GLY 12 1.368 13.300 2.857 64 H ARG 13 H ARG 13 -0.615 10.736 2.059 65 HA ARG 13 HA ARG 13 -2.204 11.137 4.444 66 1HB ARG 13 2HB ARG 13 -3.926 9.866 3.309 67 2HB ARG 13 1HB ARG 13 -3.261 11.050 2.194 68 1HG ARG 13 2HG ARG 13 -1.806 9.198 1.288 69 2HG ARG 13 1HG ARG 13 -2.791 8.083 2.237 70 1HD ARG 13 2HD ARG 13 -3.702 9.912 0.023 71 2HD ARG 13 1HD ARG 13 -3.642 8.153 -0.003 72 HE ARG 13 HE ARG 13 -5.354 9.302 2.039 73 1HH1 ARG 13 1HH1 ARG 13 -5.129 7.951 -1.201 74 2HH1 ARG 13 2HH1 ARG 13 -6.842 7.681 -1.341 75 1HH2 ARG 13 1HH2 ARG 13 -7.609 8.962 1.835 76 2HH2 ARG 13 2HH2 ARG 13 -8.247 8.260 0.377 77 H MET 14 H MET 14 -2.667 9.583 5.973 78 HA MET 14 HA MET 14 -0.744 7.362 6.033 79 1HB MET 14 2HB MET 14 -2.257 8.731 8.262 80 2HB MET 14 1HB MET 14 -1.240 7.314 8.487 81 1HG MET 14 2HG MET 14 0.692 8.578 7.680 82 2HG MET 14 1HG MET 14 -0.330 10.000 7.481 83 1HE MET 14 1HE MET 14 1.197 7.448 10.070 84 2HE MET 14 2HE MET 14 -0.535 7.353 10.393 85 3HE MET 14 3HE MET 14 0.547 8.069 11.588 86 H ILE 15 H ILE 15 -1.524 5.498 5.415 87 HA ILE 15 HA ILE 15 -4.383 4.968 5.581 88 HB ILE 15 HB ILE 15 -2.171 3.292 4.377 89 1HG1 ILE 15 2HG1 ILE 15 -4.202 5.116 3.064 90 2HG1 ILE 15 1HG1 ILE 15 -2.484 5.457 3.240 91 1HG2 ILE 15 1HG2 ILE 15 -4.093 1.943 5.029 92 2HG2 ILE 15 2HG2 ILE 15 -3.987 2.065 3.272 93 3HG2 ILE 15 3HG2 ILE 15 -5.169 3.033 4.154 94 1HD1 ILE 15 1HD1 ILE 15 -3.673 3.203 1.641 95 2HD1 ILE 15 2HD1 ILE 15 -1.955 3.573 1.797 96 3HD1 ILE 15 3HD1 ILE 15 -3.035 4.713 0.992 97 H LEU 16 H LEU 16 -5.310 3.589 6.989 98 HA LEU 16 HA LEU 16 -3.694 2.730 9.217 99 1HB LEU 16 2HB LEU 16 -6.655 2.635 8.685 100 2HB LEU 16 1HB LEU 16 -5.933 1.913 10.108 101 HG LEU 16 HG LEU 16 -6.795 4.035 10.744 102 1HD1 LEU 16 1HD1 LEU 16 -3.806 4.226 10.400 103 2HD1 LEU 16 2HD1 LEU 16 -4.665 3.481 11.748 104 3HD1 LEU 16 3HD1 LEU 16 -4.778 5.220 11.485 105 1HD2 LEU 16 1HD2 LEU 16 -6.988 5.070 8.566 106 2HD2 LEU 16 2HD2 LEU 16 -5.232 5.193 8.441 107 3HD2 LEU 16 3HD2 LEU 16 -6.097 6.129 9.662 108 H THR 17 H THR 17 -2.422 1.175 8.247 109 HA THR 17 HA THR 17 -3.589 -1.115 6.967 110 HB THR 17 HB THR 17 -1.185 -1.927 6.953 111 HG1 THR 17 HG1 THR 17 -0.456 -0.750 8.775 112 1HG2 THR 17 1HG2 THR 17 -0.440 -0.287 5.293 113 2HG2 THR 17 2HG2 THR 17 -1.682 0.840 5.833 114 3HG2 THR 17 3HG2 THR 17 -2.144 -0.675 5.062 115 H ASP 18 H ASP 18 -3.474 -3.245 7.699 116 HA ASP 18 HA ASP 18 -3.304 -3.761 10.533 117 1HB ASP 18 2HB ASP 18 -4.789 -5.161 9.256 118 2HB ASP 18 1HB ASP 18 -3.534 -5.517 8.076 119 H GLY 19 H GLY 19 -1.346 -3.686 7.758 120 1HA GLY 19 2HA GLY 19 1.050 -3.128 8.357 121 2HA GLY 19 1HA GLY 19 1.021 -4.675 9.209 122 H LYS 20 H LYS 20 2.918 -4.934 7.463 123 HA LYS 20 HA LYS 20 3.445 -6.602 6.013 124 1HB LYS 20 2HB LYS 20 0.518 -7.242 6.270 125 2HB LYS 20 1HB LYS 20 1.591 -8.170 5.234 126 1HG LYS 20 2HG LYS 20 1.490 -9.374 7.235 127 2HG LYS 20 1HG LYS 20 3.031 -8.522 7.303 128 1HD LYS 20 2HD LYS 20 1.878 -6.749 8.654 129 2HD LYS 20 1HD LYS 20 0.472 -7.813 8.726 130 1HE LYS 20 2HE LYS 20 1.738 -8.110 10.730 131 2HE LYS 20 1HE LYS 20 1.932 -9.557 9.741 132 1HZ LYS 20 1HZ LYS 20 4.028 -8.794 10.715 133 2HZ LYS 20 2HZ LYS 20 3.882 -7.319 9.894 134 3HZ LYS 20 3HZ LYS 20 4.078 -8.764 9.019 135 HA PRO 21 HA PRO 21 2.155 -4.232 2.322 136 1HB PRO 21 2HB PRO 21 4.447 -2.935 1.824 137 2HB PRO 21 1HB PRO 21 3.278 -2.334 3.005 138 1HG PRO 21 2HG PRO 21 5.881 -3.687 3.433 139 2HG PRO 21 1HG PRO 21 5.062 -2.479 4.435 140 1HD PRO 21 2HD PRO 21 5.109 -5.280 4.840 141 2HD PRO 21 1HD PRO 21 4.105 -4.099 5.700 142 H GLU 22 H GLU 22 2.047 -6.214 1.216 143 HA GLU 22 HA GLU 22 4.479 -7.577 0.457 144 1HB GLU 22 2HB GLU 22 2.369 -8.812 0.955 145 2HB GLU 22 1HB GLU 22 1.637 -8.072 -0.460 146 1HG GLU 22 2HG GLU 22 3.453 -9.124 -1.828 147 2HG GLU 22 1HG GLU 22 3.924 -10.015 -0.381 148 H ILE 23 H ILE 23 5.641 -6.238 -0.836 149 HA ILE 23 HA ILE 23 4.527 -4.824 -3.038 150 HB ILE 23 HB ILE 23 7.419 -5.629 -2.669 151 1HG1 ILE 23 2HG1 ILE 23 5.925 -3.193 -1.673 152 2HG1 ILE 23 1HG1 ILE 23 6.627 -4.456 -0.677 153 1HG2 ILE 23 1HG2 ILE 23 6.118 -3.410 -4.247 154 2HG2 ILE 23 2HG2 ILE 23 6.891 -4.852 -4.909 155 3HG2 ILE 23 3HG2 ILE 23 7.857 -3.645 -4.061 156 1HD1 ILE 23 1HD1 ILE 23 8.018 -2.481 -0.658 157 2HD1 ILE 23 2HD1 ILE 23 8.144 -2.529 -2.416 158 3HD1 ILE 23 3HD1 ILE 23 8.859 -3.816 -1.446 159 H ASP 24 H ASP 24 3.530 -5.924 -4.570 160 HA ASP 24 HA ASP 24 4.125 -8.633 -5.204 161 1HB ASP 24 2HB ASP 24 1.859 -7.599 -5.363 162 2HB ASP 24 1HB ASP 24 2.422 -6.653 -6.734 163 H ASP 25 H ASP 25 5.550 -9.405 -6.604 164 HA ASP 25 HA ASP 25 7.349 -7.579 -7.898 165 1HB ASP 25 2HB ASP 25 8.151 -9.616 -6.769 166 2HB ASP 25 1HB ASP 25 7.274 -10.604 -7.930 167 H ASP 26 H ASP 26 4.604 -9.437 -8.841 168 HA ASP 26 HA ASP 26 5.291 -9.522 -11.635 169 1HB ASP 26 2HB ASP 26 2.755 -10.195 -10.145 170 2HB ASP 26 1HB ASP 26 2.891 -10.303 -11.895 171 H THR 27 H THR 27 2.766 -7.849 -9.757 172 HA THR 27 HA THR 27 2.092 -6.204 -12.046 173 HB THR 27 HB THR 27 0.444 -5.148 -10.477 174 HG1 THR 27 HG1 THR 27 1.401 -7.169 -8.688 175 1HG2 THR 27 1HG2 THR 27 -1.011 -7.112 -10.328 176 2HG2 THR 27 2HG2 THR 27 0.372 -8.164 -10.631 177 3HG2 THR 27 3HG2 THR 27 -0.181 -7.053 -11.884 178 H GLY 28 H GLY 28 3.952 -5.921 -9.106 179 1HA GLY 28 2HA GLY 28 5.584 -4.281 -8.696 180 2HA GLY 28 1HA GLY 28 4.884 -3.299 -9.975 181 H LEU 29 H LEU 29 2.459 -4.467 -8.040 182 HA LEU 29 HA LEU 29 2.252 -1.866 -6.713 183 1HB LEU 29 2HB LEU 29 0.249 -3.883 -7.628 184 2HB LEU 29 1HB LEU 29 -0.172 -2.820 -6.302 185 HG LEU 29 HG LEU 29 0.329 -0.873 -7.800 186 1HD1 LEU 29 1HD1 LEU 29 0.405 -1.235 -10.198 187 2HD1 LEU 29 2HD1 LEU 29 0.417 -2.981 -9.942 188 3HD1 LEU 29 3HD1 LEU 29 1.776 -2.001 -9.396 189 1HD2 LEU 29 1HD2 LEU 29 -1.947 -1.635 -7.391 190 2HD2 LEU 29 2HD2 LEU 29 -1.815 -2.771 -8.736 191 3HD2 LEU 29 3HD2 LEU 29 -1.759 -1.032 -9.037 192 H VAL 30 H VAL 30 1.555 -1.739 -4.515 193 HA VAL 30 HA VAL 30 2.718 -3.888 -2.920 194 HB VAL 30 HB VAL 30 1.783 -1.135 -2.086 195 1HG1 VAL 30 1HG1 VAL 30 2.944 -1.579 0.024 196 2HG1 VAL 30 2HG1 VAL 30 3.306 -3.218 -0.519 197 3HG1 VAL 30 3HG1 VAL 30 1.634 -2.729 -0.244 198 1HG2 VAL 30 1HG2 VAL 30 4.156 -0.605 -1.895 199 2HG2 VAL 30 2HG2 VAL 30 3.737 -1.066 -3.546 200 3HG2 VAL 30 3HG2 VAL 30 4.570 -2.212 -2.492 201 H SER 31 H SER 31 1.397 -5.464 -2.360 202 HA SER 31 HA SER 31 -1.447 -5.049 -1.970 203 1HB SER 31 2HB SER 31 0.134 -7.566 -1.436 204 2HB SER 31 1HB SER 31 -1.578 -7.427 -1.815 205 HG SER 31 HG SER 31 0.582 -7.533 -3.486 206 H TYR 32 H TYR 32 -2.049 -4.128 -0.072 207 HA TYR 32 HA TYR 32 -0.564 -4.963 2.339 208 1HB TYR 32 2HB TYR 32 -0.725 -2.788 3.252 209 2HB TYR 32 1HB TYR 32 -0.244 -2.544 1.578 210 HD1 TYR 32 HD2 TYR 32 -1.873 -1.650 -0.062 211 HD2 TYR 32 HD1 TYR 32 -2.832 -2.018 4.067 212 HE1 TYR 32 HE2 TYR 32 -3.785 -0.134 -0.369 213 HE2 TYR 32 HE1 TYR 32 -4.738 -0.503 3.771 214 HH TYR 32 HH TYR 32 -5.574 1.121 2.344 215 H HIS 33 H HIS 33 -1.832 -4.718 4.367 216 HA HIS 33 HA HIS 33 -4.654 -5.438 3.923 217 1HB HIS 33 2HB HIS 33 -2.905 -5.931 6.350 218 2HB HIS 33 1HB HIS 33 -4.581 -6.431 6.182 219 HD1 HIS 33 HD1 HIS 33 -1.745 -8.129 6.474 220 HD2 HIS 33 HD2 HIS 33 -4.393 -7.923 3.280 221 HE1 HIS 33 HE1 HIS 33 -1.363 -10.228 5.144 222 HE2 HIS 33 HE2 HIS 33 -3.120 -10.173 3.338 223 H ASP 34 H ASP 34 -6.199 -4.072 4.644 224 HA ASP 34 HA ASP 34 -5.503 -1.734 6.201 225 1HB ASP 34 2HB ASP 34 -8.010 -2.807 4.984 226 2HB ASP 34 1HB ASP 34 -8.168 -1.706 6.345 227 H GLN 35 H GLN 35 -5.977 -1.426 8.429 228 HA GLN 35 HA GLN 35 -6.455 -3.820 9.962 229 1HB GLN 35 2HB GLN 35 -6.397 -2.403 11.934 230 2HB GLN 35 1HB GLN 35 -5.052 -2.009 10.876 231 1HG GLN 35 2HG GLN 35 -6.279 -0.049 10.070 232 2HG GLN 35 1HG GLN 35 -7.604 -0.440 11.167 233 1HE2 GLN 35 1HE2 GLN 35 -4.225 -0.882 11.962 234 2HE2 GLN 35 2HE2 GLN 35 -4.153 0.350 13.175 235 H GLN 36 H GLN 36 -8.306 -1.660 8.266 236 HA GLN 36 HA GLN 36 -10.794 -1.854 9.584 237 1HB GLN 36 2HB GLN 36 -10.503 -0.177 7.918 238 2HB GLN 36 1HB GLN 36 -9.969 -1.348 6.727 239 1HG GLN 36 2HG GLN 36 -12.191 -2.261 6.573 240 2HG GLN 36 1HG GLN 36 -12.751 -1.189 7.851 241 1HE2 GLN 36 1HE2 GLN 36 -10.485 -0.110 5.458 242 2HE2 GLN 36 2HE2 GLN 36 -11.573 0.910 4.580 243 H GLY 37 H GLY 37 -8.948 -4.021 7.612 244 1HA GLY 37 2HA GLY 37 -9.477 -6.393 7.814 245 2HA GLY 37 1HA GLY 37 -11.176 -5.959 7.704 246 H ASN 38 H ASN 38 -8.917 -4.354 5.635 247 HA ASN 38 HA ASN 38 -10.057 -5.840 3.365 248 1HB ASN 38 2HB ASN 38 -8.968 -3.024 3.496 249 2HB ASN 38 1HB ASN 38 -9.493 -3.818 2.016 250 1HD2 ASN 38 1HD2 ASN 38 -10.464 -1.408 3.350 251 2HD2 ASN 38 2HD2 ASN 38 -12.155 -1.668 3.602 252 H ALA 39 H ALA 39 -8.690 -6.090 1.481 253 HA ALA 39 HA ALA 39 -5.807 -5.822 1.907 254 1HB ALA 39 1HB ALA 39 -7.140 -8.336 0.882 255 2HB ALA 39 2HB ALA 39 -6.340 -8.156 2.444 256 3HB ALA 39 3HB ALA 39 -5.400 -8.047 0.955 257 H MET 40 H MET 40 -5.000 -4.700 0.230 258 HA MET 40 HA MET 40 -6.032 -5.088 -2.446 259 1HB MET 40 2HB MET 40 -6.763 -2.829 -2.814 260 2HB MET 40 1HB MET 40 -7.611 -3.453 -1.406 261 1HG MET 40 2HG MET 40 -5.878 -2.294 0.004 262 2HG MET 40 1HG MET 40 -5.325 -1.506 -1.472 263 1HE MET 40 1HE MET 40 -8.859 -2.416 0.049 264 2HE MET 40 2HE MET 40 -9.341 -0.834 0.661 265 3HE MET 40 3HE MET 40 -7.936 -1.655 1.347 266 H GLN 41 H GLN 41 -4.888 -3.527 -3.994 267 HA GLN 41 HA GLN 41 -2.066 -3.391 -3.149 268 1HB GLN 41 2HB GLN 41 -3.176 -3.814 -5.932 269 2HB GLN 41 1HB GLN 41 -1.475 -3.797 -5.490 270 1HG GLN 41 2HG GLN 41 -1.839 -5.779 -4.090 271 2HG GLN 41 1HG GLN 41 -3.525 -5.811 -4.601 272 1HE2 GLN 41 1HE2 GLN 41 -0.924 -4.929 -6.744 273 2HE2 GLN 41 2HE2 GLN 41 -0.998 -6.335 -7.742 274 H ILE 42 H ILE 42 -1.170 -1.431 -3.100 275 HA ILE 42 HA ILE 42 -2.385 0.716 -4.702 276 HB ILE 42 HB ILE 42 -1.175 2.315 -3.375 277 1HG1 ILE 42 2HG1 ILE 42 -0.083 0.320 -1.474 278 2HG1 ILE 42 1HG1 ILE 42 0.725 0.429 -3.038 279 1HG2 ILE 42 1HG2 ILE 42 -3.280 1.573 -2.450 280 2HG2 ILE 42 2HG2 ILE 42 -2.136 1.903 -1.150 281 3HG2 ILE 42 3HG2 ILE 42 -2.479 0.239 -1.622 282 1HD1 ILE 42 1HD1 ILE 42 1.798 1.871 -1.426 283 2HD1 ILE 42 2HD1 ILE 42 0.269 2.693 -1.113 284 3HD1 ILE 42 3HD1 ILE 42 1.035 2.829 -2.699 285 H ASN 43 H ASN 43 -0.703 2.290 -5.613 286 HA ASN 43 HA ASN 43 0.875 0.713 -7.414 287 1HB ASN 43 2HB ASN 43 -0.449 2.765 -8.021 288 2HB ASN 43 1HB ASN 43 0.777 3.721 -7.205 289 1HD2 ASN 43 1HD2 ASN 43 1.159 4.752 -9.213 290 2HD2 ASN 43 2HD2 ASN 43 2.130 3.990 -10.427 291 H ARG 44 H ARG 44 3.119 0.904 -7.815 292 HA ARG 44 HA ARG 44 4.802 0.951 -5.567 293 1HB ARG 44 2HB ARG 44 5.270 -0.167 -7.777 294 2HB ARG 44 1HB ARG 44 5.624 1.421 -8.440 295 1HG ARG 44 2HG ARG 44 7.694 0.410 -7.908 296 2HG ARG 44 1HG ARG 44 7.405 1.647 -6.683 297 1HD ARG 44 2HD ARG 44 6.615 -0.048 -5.133 298 2HD ARG 44 1HD ARG 44 6.826 -1.291 -6.363 299 HE ARG 44 HE ARG 44 9.020 0.201 -5.062 300 1HH1 ARG 44 1HH1 ARG 44 7.857 -2.553 -6.882 301 2HH1 ARG 44 2HH1 ARG 44 9.277 -3.519 -6.591 302 1HH2 ARG 44 1HH2 ARG 44 10.898 -1.065 -4.669 303 2HH2 ARG 44 2HH2 ARG 44 10.996 -2.673 -5.332 304 H ASP 45 H ASP 45 3.926 3.395 -7.908 305 HA ASP 45 HA ASP 45 5.797 5.346 -6.930 306 1HB ASP 45 2HB ASP 45 3.454 5.601 -8.826 307 2HB ASP 45 1HB ASP 45 4.593 6.894 -8.470 308 H ASP 46 H ASP 46 2.889 4.179 -5.808 309 HA ASP 46 HA ASP 46 1.913 6.734 -4.822 310 1HB ASP 46 2HB ASP 46 0.347 4.999 -5.745 311 2HB ASP 46 1HB ASP 46 0.730 3.993 -4.351 312 H VAL 47 H VAL 47 3.343 3.750 -3.621 313 HA VAL 47 HA VAL 47 3.164 4.493 -0.866 314 HB VAL 47 HB VAL 47 3.394 2.137 -1.569 315 1HG1 VAL 47 1HG1 VAL 47 5.545 1.251 -2.291 316 2HG1 VAL 47 2HG1 VAL 47 6.209 2.885 -2.327 317 3HG1 VAL 47 3HG1 VAL 47 4.919 2.432 -3.441 318 1HG2 VAL 47 1HG2 VAL 47 5.651 3.118 0.170 319 2HG2 VAL 47 2HG2 VAL 47 5.076 1.453 0.083 320 3HG2 VAL 47 3HG2 VAL 47 4.015 2.722 0.696 321 H SER 48 H SER 48 4.794 5.368 0.475 322 HA SER 48 HA SER 48 7.053 6.565 -0.967 323 1HB SER 48 2HB SER 48 5.154 8.187 -0.630 324 2HB SER 48 1HB SER 48 5.413 8.034 1.106 325 HG SER 48 HG SER 48 7.193 9.056 -0.853 326 H GLN 49 H GLN 49 5.778 6.322 2.402 327 HA GLN 49 HA GLN 49 8.491 5.550 3.225 328 1HB GLN 49 2HB GLN 49 6.862 7.813 4.373 329 2HB GLN 49 1HB GLN 49 8.258 7.118 5.185 330 1HG GLN 49 2HG GLN 49 8.260 8.462 2.493 331 2HG GLN 49 1HG GLN 49 8.844 9.153 4.007 332 1HE2 GLN 49 1HE2 GLN 49 10.237 8.642 1.489 333 2HE2 GLN 49 2HE2 GLN 49 11.587 7.634 1.892 334 H ILE 50 H ILE 50 8.637 4.145 4.837 335 HA ILE 50 HA ILE 50 6.214 3.471 6.373 336 HB ILE 50 HB ILE 50 8.752 1.848 6.015 337 1HG1 ILE 50 2HG1 ILE 50 7.424 1.901 3.960 338 2HG1 ILE 50 1HG1 ILE 50 7.358 0.305 4.698 339 1HG2 ILE 50 1HG2 ILE 50 6.172 1.095 7.382 340 2HG2 ILE 50 2HG2 ILE 50 7.689 1.488 8.190 341 3HG2 ILE 50 3HG2 ILE 50 7.581 0.055 7.168 342 1HD1 ILE 50 1HD1 ILE 50 5.188 0.976 3.843 343 2HD1 ILE 50 2HD1 ILE 50 5.217 2.414 4.865 344 3HD1 ILE 50 3HD1 ILE 50 5.149 0.812 5.599 345 H ILE 51 H ILE 51 6.360 3.560 8.653 346 HA ILE 51 HA ILE 51 8.320 5.447 9.569 347 HB ILE 51 HB ILE 51 6.078 5.728 10.380 348 1HG1 ILE 51 2HG1 ILE 51 7.891 4.762 12.601 349 2HG1 ILE 51 1HG1 ILE 51 7.896 6.374 11.892 350 1HG2 ILE 51 1HG2 ILE 51 4.990 4.093 11.855 351 2HG2 ILE 51 2HG2 ILE 51 6.324 2.974 11.573 352 3HG2 ILE 51 3HG2 ILE 51 5.277 3.454 10.237 353 1HD1 ILE 51 1HD1 ILE 51 5.620 6.732 12.725 354 2HD1 ILE 51 2HD1 ILE 51 6.755 6.369 14.024 355 3HD1 ILE 51 3HD1 ILE 51 5.645 5.126 13.452 356 H GLU 52 H GLU 52 10.285 4.820 10.044 357 HA GLU 52 HA GLU 52 10.794 2.222 11.252 358 1HB GLU 52 2HB GLU 52 12.572 4.397 10.164 359 2HB GLU 52 1HB GLU 52 13.217 3.033 11.067 360 1HG GLU 52 2HG GLU 52 11.594 2.810 8.543 361 2HG GLU 52 1HG GLU 52 13.353 2.745 8.627 362 H ARG 53 H ARG 53 12.805 2.532 12.936 363 HA ARG 53 HA ARG 53 11.491 3.718 15.194 364 1HB ARG 53 2HB ARG 53 12.802 1.594 15.330 365 2HB ARG 53 1HB ARG 53 14.267 2.533 15.074 366 1HG ARG 53 2HG ARG 53 13.660 3.853 17.122 367 2HG ARG 53 1HG ARG 53 12.380 2.675 17.411 368 1HD ARG 53 2HD ARG 53 14.267 2.037 18.723 369 2HD ARG 53 1HD ARG 53 14.129 0.893 17.389 370 HE ARG 53 HE ARG 53 15.891 2.485 16.318 371 1HH1 ARG 53 1HH1 ARG 53 15.663 1.556 19.686 372 2HH1 ARG 53 2HH1 ARG 53 17.365 1.718 19.995 373 1HH2 ARG 53 1HH2 ARG 53 18.153 2.707 16.713 374 2HH2 ARG 53 2HH2 ARG 53 18.780 2.366 18.299 Start of MODEL 15 1 H ASP 4 H ASP 4 0.906 -0.780 15.507 2 HA ASP 4 HA ASP 4 3.710 -0.625 15.986 3 1HB ASP 4 2HB ASP 4 2.285 -2.567 16.647 4 2HB ASP 4 1HB ASP 4 2.133 -2.986 14.945 5 H TYR 5 H TYR 5 1.708 -1.157 13.142 6 HA TYR 5 HA TYR 5 4.051 -0.430 11.523 7 1HB TYR 5 2HB TYR 5 1.888 -2.426 10.846 8 2HB TYR 5 1HB TYR 5 3.021 -1.783 9.665 9 HD1 TYR 5 HD2 TYR 5 5.573 -2.032 10.366 10 HD2 TYR 5 HD1 TYR 5 2.399 -4.438 11.869 11 HE1 TYR 5 HE2 TYR 5 7.189 -3.789 10.956 12 HE2 TYR 5 HE1 TYR 5 4.009 -6.201 12.458 13 HH TYR 5 HH TYR 5 7.362 -5.690 12.519 14 H VAL 6 H VAL 6 3.432 0.569 9.434 15 HA VAL 6 HA VAL 6 0.900 1.785 9.086 16 HB VAL 6 HB VAL 6 1.749 3.077 11.066 17 1HG1 VAL 6 1HG1 VAL 6 3.839 4.060 9.133 18 2HG1 VAL 6 2HG1 VAL 6 4.121 3.050 10.551 19 3HG1 VAL 6 3HG1 VAL 6 3.543 4.705 10.748 20 1HG2 VAL 6 1HG2 VAL 6 1.410 4.687 8.541 21 2HG2 VAL 6 2HG2 VAL 6 1.214 5.289 10.187 22 3HG2 VAL 6 3HG2 VAL 6 0.110 4.065 9.559 23 H MET 7 H MET 7 0.992 3.336 7.208 24 HA MET 7 HA MET 7 3.477 3.205 5.677 25 1HB MET 7 2HB MET 7 2.222 1.228 4.972 26 2HB MET 7 1HB MET 7 0.823 2.229 4.612 27 1HG MET 7 2HG MET 7 2.116 3.387 2.878 28 2HG MET 7 1HG MET 7 3.488 2.338 3.223 29 1HE MET 7 1HE MET 7 -0.354 1.361 3.122 30 2HE MET 7 2HE MET 7 -0.506 0.908 1.424 31 3HE MET 7 3HE MET 7 -0.147 2.577 1.862 32 H ALA 8 H ALA 8 3.909 5.243 5.152 33 HA ALA 8 HA ALA 8 1.721 7.124 4.683 34 1HB ALA 8 1HB ALA 8 3.501 8.821 4.569 35 2HB ALA 8 2HB ALA 8 4.711 7.552 4.756 36 3HB ALA 8 3HB ALA 8 3.578 7.891 6.065 37 H THR 9 H THR 9 0.987 7.513 2.682 38 HA THR 9 HA THR 9 2.433 6.305 0.461 39 HB THR 9 HB THR 9 0.374 6.755 -0.840 40 HG1 THR 9 HG1 THR 9 -1.278 7.816 0.022 41 1HG2 THR 9 1HG2 THR 9 -0.063 5.269 1.758 42 2HG2 THR 9 2HG2 THR 9 0.679 4.608 0.300 43 3HG2 THR 9 3HG2 THR 9 -1.019 5.080 0.288 44 H LYS 10 H LYS 10 1.835 7.600 -1.675 45 HA LYS 10 HA LYS 10 3.656 9.531 -2.139 46 1HB LYS 10 2HB LYS 10 2.144 8.376 -3.785 47 2HB LYS 10 1HB LYS 10 0.893 9.531 -3.356 48 1HG LYS 10 2HG LYS 10 2.227 11.351 -4.191 49 2HG LYS 10 1HG LYS 10 3.576 10.261 -4.505 50 1HD LYS 10 2HD LYS 10 2.436 10.723 -6.575 51 2HD LYS 10 1HD LYS 10 2.165 9.041 -6.129 52 1HE LYS 10 2HE LYS 10 0.203 11.266 -5.573 53 2HE LYS 10 1HE LYS 10 0.152 10.258 -7.011 54 1HZ LYS 10 1HZ LYS 10 -0.073 9.224 -4.234 55 2HZ LYS 10 2HZ LYS 10 -0.269 8.332 -5.660 56 3HZ LYS 10 3HZ LYS 10 -1.383 9.539 -5.249 57 H ASP 11 H ASP 11 0.343 10.088 -1.043 58 HA ASP 11 HA ASP 11 0.560 12.941 -1.365 59 1HB ASP 11 2HB ASP 11 -1.671 11.256 -0.208 60 2HB ASP 11 1HB ASP 11 -1.780 12.967 -0.613 61 H GLY 12 H GLY 12 1.783 11.014 0.917 62 1HA GLY 12 2HA GLY 12 2.774 11.641 2.921 63 2HA GLY 12 1HA GLY 12 1.927 13.179 2.827 64 H ARG 13 H ARG 13 -0.300 10.800 2.331 65 HA ARG 13 HA ARG 13 -1.355 11.134 5.001 66 1HB ARG 13 2HB ARG 13 -3.323 9.921 4.149 67 2HB ARG 13 1HB ARG 13 -2.898 11.285 3.124 68 1HG ARG 13 2HG ARG 13 -1.770 9.724 1.583 69 2HG ARG 13 1HG ARG 13 -2.324 8.384 2.585 70 1HD ARG 13 2HD ARG 13 -4.098 10.381 1.191 71 2HD ARG 13 1HD ARG 13 -3.758 8.748 0.626 72 HE ARG 13 HE ARG 13 -4.787 8.684 3.269 73 1HH1 ARG 13 1HH1 ARG 13 -5.746 9.167 -0.072 74 2HH1 ARG 13 2HH1 ARG 13 -7.398 8.695 0.199 75 1HH2 ARG 13 1HH2 ARG 13 -6.958 8.038 3.626 76 2HH2 ARG 13 2HH2 ARG 13 -8.092 8.068 2.305 77 H MET 14 H MET 14 -1.458 9.605 6.568 78 HA MET 14 HA MET 14 0.192 7.236 6.140 79 1HB MET 14 2HB MET 14 -1.002 8.391 8.664 80 2HB MET 14 1HB MET 14 0.041 6.980 8.604 81 1HG MET 14 2HG MET 14 1.856 8.360 7.723 82 2HG MET 14 1HG MET 14 0.807 9.775 7.790 83 1HE MET 14 1HE MET 14 2.629 11.081 9.204 84 2HE MET 14 2HE MET 14 3.694 9.675 9.146 85 3HE MET 14 3HE MET 14 3.352 10.458 10.689 86 H ILE 15 H ILE 15 -0.709 5.409 5.576 87 HA ILE 15 HA ILE 15 -3.534 4.908 5.999 88 HB ILE 15 HB ILE 15 -1.412 3.097 4.821 89 1HG1 ILE 15 2HG1 ILE 15 -1.639 5.182 3.535 90 2HG1 ILE 15 1HG1 ILE 15 -2.244 3.799 2.630 91 1HG2 ILE 15 1HG2 ILE 15 -3.372 1.888 5.593 92 2HG2 ILE 15 2HG2 ILE 15 -3.299 1.891 3.831 93 3HG2 ILE 15 3HG2 ILE 15 -4.419 2.965 4.669 94 1HD1 ILE 15 1HD1 ILE 15 -3.906 5.852 4.081 95 2HD1 ILE 15 2HD1 ILE 15 -4.540 4.441 3.233 96 3HD1 ILE 15 3HD1 ILE 15 -3.697 5.703 2.336 97 H LEU 16 H LEU 16 -4.360 3.722 7.627 98 HA LEU 16 HA LEU 16 -2.575 2.847 9.721 99 1HB LEU 16 2HB LEU 16 -5.577 2.860 9.470 100 2HB LEU 16 1HB LEU 16 -4.750 2.168 10.851 101 HG LEU 16 HG LEU 16 -5.466 4.342 11.483 102 1HD1 LEU 16 1HD1 LEU 16 -3.357 5.491 11.964 103 2HD1 LEU 16 2HD1 LEU 16 -2.527 4.428 10.826 104 3HD1 LEU 16 3HD1 LEU 16 -3.263 3.760 12.283 105 1HD2 LEU 16 1HD2 LEU 16 -4.092 5.419 9.025 106 2HD2 LEU 16 2HD2 LEU 16 -4.910 6.371 10.266 107 3HD2 LEU 16 3HD2 LEU 16 -5.833 5.263 9.250 108 H THR 17 H THR 17 -1.650 1.317 8.054 109 HA THR 17 HA THR 17 -3.058 -1.091 7.470 110 HB THR 17 HB THR 17 -0.774 -1.936 6.838 111 HG1 THR 17 HG1 THR 17 0.132 -0.194 8.431 112 1HG2 THR 17 1HG2 THR 17 -1.584 0.736 5.688 113 2HG2 THR 17 2HG2 THR 17 -2.192 -0.841 5.187 114 3HG2 THR 17 3HG2 THR 17 -0.500 -0.425 4.921 115 H ASP 18 H ASP 18 -3.229 -2.919 8.675 116 HA ASP 18 HA ASP 18 -2.347 -3.131 11.317 117 1HB ASP 18 2HB ASP 18 -3.099 -5.236 9.288 118 2HB ASP 18 1HB ASP 18 -2.643 -5.651 10.938 119 H GLY 19 H GLY 19 -0.861 -4.240 8.304 120 1HA GLY 19 2HA GLY 19 1.541 -3.135 8.652 121 2HA GLY 19 1HA GLY 19 1.706 -4.581 9.641 122 H LYS 20 H LYS 20 3.444 -4.304 7.485 123 HA LYS 20 HA LYS 20 4.294 -5.919 6.145 124 1HB LYS 20 2HB LYS 20 1.818 -7.483 6.854 125 2HB LYS 20 1HB LYS 20 3.193 -8.120 5.958 126 1HG LYS 20 2HG LYS 20 4.560 -7.306 8.024 127 2HG LYS 20 1HG LYS 20 2.992 -7.359 8.834 128 1HD LYS 20 2HD LYS 20 4.178 -9.449 9.154 129 2HD LYS 20 1HD LYS 20 2.743 -9.709 8.158 130 1HE LYS 20 2HE LYS 20 4.069 -9.782 6.159 131 2HE LYS 20 1HE LYS 20 5.514 -9.291 7.043 132 1HZ LYS 20 1HZ LYS 20 5.444 -11.367 8.255 133 2HZ LYS 20 2HZ LYS 20 5.495 -11.661 6.585 134 3HZ LYS 20 3HZ LYS 20 4.036 -11.840 7.431 135 HA PRO 21 HA PRO 21 1.740 -4.627 2.573 136 1HB PRO 21 2HB PRO 21 3.855 -2.943 1.663 137 2HB PRO 21 1HB PRO 21 2.281 -2.453 2.289 138 1HG PRO 21 2HG PRO 21 4.721 -1.995 3.531 139 2HG PRO 21 1HG PRO 21 3.138 -1.933 4.325 140 1HD PRO 21 2HD PRO 21 5.181 -4.113 4.333 141 2HD PRO 21 1HD PRO 21 4.066 -3.600 5.619 142 H GLU 22 H GLU 22 1.927 -6.490 1.437 143 HA GLU 22 HA GLU 22 4.514 -7.490 0.620 144 1HB GLU 22 2HB GLU 22 1.721 -8.492 0.053 145 2HB GLU 22 1HB GLU 22 3.194 -9.316 -0.435 146 1HG GLU 22 2HG GLU 22 3.818 -9.376 2.006 147 2HG GLU 22 1HG GLU 22 2.172 -8.842 2.344 148 H ILE 23 H ILE 23 5.496 -6.539 -1.009 149 HA ILE 23 HA ILE 23 4.037 -5.159 -3.059 150 HB ILE 23 HB ILE 23 7.001 -5.719 -2.867 151 1HG1 ILE 23 2HG1 ILE 23 5.380 -3.301 -2.036 152 2HG1 ILE 23 1HG1 ILE 23 6.174 -4.430 -0.950 153 1HG2 ILE 23 1HG2 ILE 23 7.242 -3.884 -4.464 154 2HG2 ILE 23 2HG2 ILE 23 5.488 -3.721 -4.552 155 3HG2 ILE 23 3HG2 ILE 23 6.267 -5.189 -5.141 156 1HD1 ILE 23 1HD1 ILE 23 7.531 -2.579 -2.894 157 2HD1 ILE 23 2HD1 ILE 23 8.349 -3.740 -1.849 158 3HD1 ILE 23 3HD1 ILE 23 7.455 -2.396 -1.140 159 H ASP 24 H ASP 24 3.131 -6.160 -4.681 160 HA ASP 24 HA ASP 24 3.878 -8.740 -5.637 161 1HB ASP 24 2HB ASP 24 2.165 -6.588 -6.916 162 2HB ASP 24 1HB ASP 24 2.287 -8.251 -7.478 163 H ASP 25 H ASP 25 5.956 -8.822 -6.331 164 HA ASP 25 HA ASP 25 7.292 -6.641 -7.533 165 1HB ASP 25 2HB ASP 25 9.170 -8.158 -7.796 166 2HB ASP 25 1HB ASP 25 8.442 -8.397 -6.212 167 H ASP 26 H ASP 26 5.289 -9.107 -8.794 168 HA ASP 26 HA ASP 26 6.329 -9.395 -11.368 169 1HB ASP 26 2HB ASP 26 4.595 -10.873 -10.519 170 2HB ASP 26 1HB ASP 26 3.455 -9.535 -10.447 171 H THR 27 H THR 27 3.941 -7.078 -10.136 172 HA THR 27 HA THR 27 4.139 -5.644 -12.699 173 HB THR 27 HB THR 27 1.922 -6.576 -12.402 174 HG1 THR 27 HG1 THR 27 1.460 -4.759 -13.375 175 1HG2 THR 27 1HG2 THR 27 1.823 -5.025 -9.823 176 2HG2 THR 27 2HG2 THR 27 1.896 -6.780 -9.977 177 3HG2 THR 27 3HG2 THR 27 0.476 -5.904 -10.547 178 H GLY 28 H GLY 28 4.367 -5.394 -9.241 179 1HA GLY 28 2HA GLY 28 5.582 -3.633 -8.213 180 2HA GLY 28 1HA GLY 28 5.136 -2.580 -9.547 181 H LEU 29 H LEU 29 2.869 -4.653 -7.842 182 HA LEU 29 HA LEU 29 1.539 -2.245 -6.810 183 1HB LEU 29 2HB LEU 29 0.501 -5.080 -6.980 184 2HB LEU 29 1HB LEU 29 -0.412 -3.691 -6.427 185 HG LEU 29 HG LEU 29 0.571 -4.218 -9.228 186 1HD1 LEU 29 1HD1 LEU 29 -1.392 -5.489 -8.625 187 2HD1 LEU 29 2HD1 LEU 29 -1.827 -4.207 -9.756 188 3HD1 LEU 29 3HD1 LEU 29 -2.190 -4.031 -8.039 189 1HD2 LEU 29 1HD2 LEU 29 -0.887 -1.803 -8.168 190 2HD2 LEU 29 2HD2 LEU 29 -0.519 -2.137 -9.860 191 3HD2 LEU 29 3HD2 LEU 29 0.789 -1.846 -8.715 192 H VAL 30 H VAL 30 0.687 -2.350 -4.572 193 HA VAL 30 HA VAL 30 2.364 -4.082 -2.870 194 HB VAL 30 HB VAL 30 1.375 -1.297 -2.219 195 1HG1 VAL 30 1HG1 VAL 30 2.769 -1.487 -0.229 196 2HG1 VAL 30 2HG1 VAL 30 3.179 -3.145 -0.668 197 3HG1 VAL 30 3HG1 VAL 30 1.516 -2.728 -0.255 198 1HG2 VAL 30 1HG2 VAL 30 3.152 -1.218 -3.869 199 2HG2 VAL 30 2HG2 VAL 30 4.150 -2.282 -2.876 200 3HG2 VAL 30 3HG2 VAL 30 3.751 -0.661 -2.306 201 H SER 31 H SER 31 1.127 -5.630 -2.084 202 HA SER 31 HA SER 31 -1.687 -5.285 -1.608 203 1HB SER 31 2HB SER 31 0.208 -7.555 -0.969 204 2HB SER 31 1HB SER 31 -1.537 -7.624 -0.737 205 HG SER 31 HG SER 31 -0.191 -7.190 -3.220 206 H TYR 32 H TYR 32 -2.202 -3.940 0.020 207 HA TYR 32 HA TYR 32 -0.810 -4.311 2.590 208 1HB TYR 32 2HB TYR 32 -1.164 -1.965 3.067 209 2HB TYR 32 1HB TYR 32 -0.343 -2.127 1.523 210 HD1 TYR 32 HD2 TYR 32 -2.027 -2.163 -0.581 211 HD2 TYR 32 HD1 TYR 32 -2.890 -0.451 3.215 212 HE1 TYR 32 HE2 TYR 32 -3.731 -0.733 -1.623 213 HE2 TYR 32 HE1 TYR 32 -4.592 0.990 2.180 214 HH TYR 32 HH TYR 32 -5.166 1.911 0.018 215 H HIS 33 H HIS 33 -2.065 -4.041 4.516 216 HA HIS 33 HA HIS 33 -4.908 -4.702 4.100 217 1HB HIS 33 2HB HIS 33 -3.088 -5.327 6.440 218 2HB HIS 33 1HB HIS 33 -4.811 -5.672 6.402 219 HD1 HIS 33 HD1 HIS 33 -2.172 -7.649 6.501 220 HD2 HIS 33 HD2 HIS 33 -4.914 -7.092 3.429 221 HE1 HIS 33 HE1 HIS 33 -2.064 -9.738 5.115 222 HE2 HIS 33 HE2 HIS 33 -3.911 -9.477 3.417 223 H ASP 34 H ASP 34 -6.321 -3.194 4.625 224 HA ASP 34 HA ASP 34 -5.558 -1.026 6.428 225 1HB ASP 34 2HB ASP 34 -7.391 -1.271 4.235 226 2HB ASP 34 1HB ASP 34 -8.275 -0.762 5.670 227 H GLN 35 H GLN 35 -7.142 -0.344 8.085 228 HA GLN 35 HA GLN 35 -7.739 -2.547 9.806 229 1HB GLN 35 2HB GLN 35 -8.600 -0.763 11.343 230 2HB GLN 35 1HB GLN 35 -6.930 -0.555 10.832 231 1HG GLN 35 2HG GLN 35 -7.615 1.121 9.214 232 2HG GLN 35 1HG GLN 35 -9.302 0.888 9.669 233 1HE2 GLN 35 1HE2 GLN 35 -6.701 0.841 11.984 234 2HE2 GLN 35 2HE2 GLN 35 -7.111 2.326 12.768 235 H GLN 36 H GLN 36 -9.130 -3.222 7.824 236 HA GLN 36 HA GLN 36 -11.875 -3.047 8.770 237 1HB GLN 36 2HB GLN 36 -11.565 -1.292 6.954 238 2HB GLN 36 1HB GLN 36 -11.202 -2.606 5.850 239 1HG GLN 36 2HG GLN 36 -13.511 -1.821 5.655 240 2HG GLN 36 1HG GLN 36 -13.418 -3.515 6.133 241 1HE2 GLN 36 1HE2 GLN 36 -14.097 -4.123 8.188 242 2HE2 GLN 36 2HE2 GLN 36 -14.977 -3.052 9.232 243 H GLY 37 H GLY 37 -9.364 -4.890 8.262 244 1HA GLY 37 2HA GLY 37 -8.934 -7.027 7.498 245 2HA GLY 37 1HA GLY 37 -10.681 -7.263 7.405 246 H ASN 38 H ASN 38 -8.490 -4.999 5.809 247 HA ASN 38 HA ASN 38 -9.937 -5.558 3.307 248 1HB ASN 38 2HB ASN 38 -10.008 -3.255 4.634 249 2HB ASN 38 1HB ASN 38 -8.488 -2.990 3.789 250 1HD2 ASN 38 1HD2 ASN 38 -10.953 -1.563 3.527 251 2HD2 ASN 38 2HD2 ASN 38 -11.449 -1.710 1.885 252 H ALA 39 H ALA 39 -8.714 -6.649 1.911 253 HA ALA 39 HA ALA 39 -5.809 -6.196 1.900 254 1HB ALA 39 1HB ALA 39 -5.669 -8.293 0.622 255 2HB ALA 39 2HB ALA 39 -7.426 -8.443 0.694 256 3HB ALA 39 3HB ALA 39 -6.472 -8.521 2.175 257 H MET 40 H MET 40 -5.258 -4.632 0.534 258 HA MET 40 HA MET 40 -6.532 -4.579 -2.124 259 1HB MET 40 2HB MET 40 -5.804 -2.221 -0.377 260 2HB MET 40 1HB MET 40 -6.294 -2.094 -2.061 261 1HG MET 40 2HG MET 40 -8.459 -2.998 -1.544 262 2HG MET 40 1HG MET 40 -7.980 -3.283 0.128 263 1HE MET 40 1HE MET 40 -7.668 0.296 1.577 264 2HE MET 40 2HE MET 40 -6.382 -0.727 0.927 265 3HE MET 40 3HE MET 40 -7.658 -1.433 1.922 266 H GLN 41 H GLN 41 -5.196 -3.491 -3.785 267 HA GLN 41 HA GLN 41 -2.314 -3.807 -3.211 268 1HB GLN 41 2HB GLN 41 -3.793 -4.427 -5.779 269 2HB GLN 41 1HB GLN 41 -2.044 -4.463 -5.594 270 1HG GLN 41 2HG GLN 41 -2.222 -6.250 -3.974 271 2HG GLN 41 1HG GLN 41 -3.982 -6.181 -4.066 272 1HE2 GLN 41 1HE2 GLN 41 -1.060 -7.180 -5.638 273 2HE2 GLN 41 2HE2 GLN 41 -1.819 -8.123 -6.878 274 H ILE 42 H ILE 42 -1.405 -1.882 -3.161 275 HA ILE 42 HA ILE 42 -2.506 0.263 -4.847 276 HB ILE 42 HB ILE 42 -2.553 0.730 -2.460 277 1HG1 ILE 42 2HG1 ILE 42 -1.282 2.858 -2.458 278 2HG1 ILE 42 1HG1 ILE 42 -0.462 2.337 -3.931 279 1HG2 ILE 42 1HG2 ILE 42 -0.497 0.959 -1.156 280 2HG2 ILE 42 2HG2 ILE 42 0.428 0.330 -2.520 281 3HG2 ILE 42 3HG2 ILE 42 -0.762 -0.693 -1.712 282 1HD1 ILE 42 1HD1 ILE 42 -3.421 2.736 -3.629 283 2HD1 ILE 42 2HD1 ILE 42 -2.573 2.243 -5.096 284 3HD1 ILE 42 3HD1 ILE 42 -2.300 3.849 -4.416 285 H ASN 43 H ASN 43 -1.148 1.455 -6.222 286 HA ASN 43 HA ASN 43 0.992 0.016 -7.354 287 1HB ASN 43 2HB ASN 43 -0.391 1.625 -8.615 288 2HB ASN 43 1HB ASN 43 0.323 2.947 -7.696 289 1HD2 ASN 43 1HD2 ASN 43 1.171 3.935 -9.503 290 2HD2 ASN 43 2HD2 ASN 43 2.515 3.281 -10.380 291 H ARG 44 H ARG 44 3.188 0.333 -7.366 292 HA ARG 44 HA ARG 44 4.439 1.006 -4.961 293 1HB ARG 44 2HB ARG 44 6.561 0.935 -6.342 294 2HB ARG 44 1HB ARG 44 5.552 -0.503 -6.401 295 1HG ARG 44 2HG ARG 44 4.632 0.252 -8.548 296 2HG ARG 44 1HG ARG 44 5.696 1.656 -8.493 297 1HD ARG 44 2HD ARG 44 7.602 0.382 -8.826 298 2HD ARG 44 1HD ARG 44 6.829 -1.103 -8.270 299 HE ARG 44 HE ARG 44 5.415 -0.579 -10.461 300 1HH1 ARG 44 1HH1 ARG 44 8.884 -0.440 -9.994 301 2HH1 ARG 44 2HH1 ARG 44 9.250 -0.951 -11.613 302 1HH2 ARG 44 1HH2 ARG 44 5.896 -1.284 -12.571 303 2HH2 ARG 44 2HH2 ARG 44 7.548 -1.441 -13.069 304 H ASP 45 H ASP 45 3.630 3.009 -7.686 305 HA ASP 45 HA ASP 45 5.370 5.159 -6.851 306 1HB ASP 45 2HB ASP 45 3.323 4.879 -9.034 307 2HB ASP 45 1HB ASP 45 4.028 6.445 -8.638 308 H ASP 46 H ASP 46 2.413 3.996 -5.848 309 HA ASP 46 HA ASP 46 1.471 6.631 -5.008 310 1HB ASP 46 2HB ASP 46 0.141 3.946 -5.167 311 2HB ASP 46 1HB ASP 46 -0.540 5.227 -4.167 312 H VAL 47 H VAL 47 2.924 3.737 -3.764 313 HA VAL 47 HA VAL 47 2.597 4.612 -1.018 314 HB VAL 47 HB VAL 47 4.129 2.758 -0.437 315 1HG1 VAL 47 1HG1 VAL 47 1.742 2.345 -0.551 316 2HG1 VAL 47 2HG1 VAL 47 2.647 0.923 -1.074 317 3HG1 VAL 47 3HG1 VAL 47 1.874 1.968 -2.268 318 1HG2 VAL 47 1HG2 VAL 47 5.514 2.753 -2.442 319 2HG2 VAL 47 2HG2 VAL 47 4.140 2.194 -3.397 320 3HG2 VAL 47 3HG2 VAL 47 4.827 1.156 -2.145 321 H SER 48 H SER 48 4.627 4.975 0.328 322 HA SER 48 HA SER 48 6.839 6.072 -1.181 323 1HB SER 48 2HB SER 48 5.224 7.912 -1.204 324 2HB SER 48 1HB SER 48 5.108 7.854 0.553 325 HG SER 48 HG SER 48 7.584 8.157 0.294 326 H GLN 49 H GLN 49 5.633 6.683 2.127 327 HA GLN 49 HA GLN 49 8.381 6.140 2.997 328 1HB GLN 49 2HB GLN 49 6.235 7.861 4.229 329 2HB GLN 49 1HB GLN 49 7.811 7.574 4.951 330 1HG GLN 49 2HG GLN 49 7.127 9.115 2.482 331 2HG GLN 49 1HG GLN 49 8.032 9.633 3.902 332 1HE2 GLN 49 1HE2 GLN 49 10.160 8.778 4.209 333 2HE2 GLN 49 2HE2 GLN 49 11.098 8.284 2.829 334 H ILE 50 H ILE 50 8.721 4.304 3.977 335 HA ILE 50 HA ILE 50 6.871 3.410 6.062 336 HB ILE 50 HB ILE 50 8.110 1.388 4.203 337 1HG1 ILE 50 2HG1 ILE 50 5.334 2.569 3.914 338 2HG1 ILE 50 1HG1 ILE 50 6.683 2.890 2.830 339 1HG2 ILE 50 1HG2 ILE 50 6.312 -0.043 5.060 340 2HG2 ILE 50 2HG2 ILE 50 5.720 1.298 6.040 341 3HG2 ILE 50 3HG2 ILE 50 7.308 0.604 6.363 342 1HD1 ILE 50 1HD1 ILE 50 5.343 0.238 3.286 343 2HD1 ILE 50 2HD1 ILE 50 6.749 0.498 2.255 344 3HD1 ILE 50 3HD1 ILE 50 5.209 1.261 1.855 345 H ILE 51 H ILE 51 9.633 4.700 5.755 346 HA ILE 51 HA ILE 51 11.178 2.672 7.243 347 HB ILE 51 HB ILE 51 12.335 4.584 5.195 348 1HG1 ILE 51 2HG1 ILE 51 13.073 2.261 4.204 349 2HG1 ILE 51 1HG1 ILE 51 11.688 1.654 5.107 350 1HG2 ILE 51 1HG2 ILE 51 14.460 3.457 5.627 351 2HG2 ILE 51 2HG2 ILE 51 13.693 2.481 6.879 352 3HG2 ILE 51 3HG2 ILE 51 13.831 4.226 7.084 353 1HD1 ILE 51 1HD1 ILE 51 11.071 2.102 2.819 354 2HD1 ILE 51 2HD1 ILE 51 11.641 3.765 2.959 355 3HD1 ILE 51 3HD1 ILE 51 10.243 3.230 3.893 356 H GLU 52 H GLU 52 11.551 6.086 6.308 357 HA GLU 52 HA GLU 52 12.002 7.966 7.471 358 1HB GLU 52 2HB GLU 52 10.127 6.488 9.281 359 2HB GLU 52 1HB GLU 52 10.808 8.029 9.788 360 1HG GLU 52 2HG GLU 52 8.508 7.814 8.434 361 2HG GLU 52 1HG GLU 52 9.568 9.218 8.327 362 H ARG 53 H ARG 53 13.899 5.878 7.608 363 HA ARG 53 HA ARG 53 15.983 5.630 8.409 364 1HB ARG 53 2HB ARG 53 15.610 8.204 8.744 365 2HB ARG 53 1HB ARG 53 15.598 7.776 10.450 366 1HG ARG 53 2HG ARG 53 17.811 6.848 10.287 367 2HG ARG 53 1HG ARG 53 17.824 7.100 8.538 368 1HD ARG 53 2HD ARG 53 17.728 9.224 10.678 369 2HD ARG 53 1HD ARG 53 19.087 8.851 9.620 370 HE ARG 53 HE ARG 53 17.650 9.613 7.749 371 1HH1 ARG 53 1HH1 ARG 53 16.964 10.638 11.014 372 2HH1 ARG 53 2HH1 ARG 53 16.128 12.088 10.532 373 1HH2 ARG 53 1HH2 ARG 53 16.525 11.517 7.088 374 2HH2 ARG 53 2HH2 ARG 53 15.862 12.577 8.297 Start of MODEL 16 1 H ASP 4 H ASP 4 6.438 -1.900 11.468 2 HA ASP 4 HA ASP 4 4.334 -1.156 13.231 3 1HB ASP 4 2HB ASP 4 6.116 0.426 11.376 4 2HB ASP 4 1HB ASP 4 4.868 1.189 12.353 5 H TYR 5 H TYR 5 2.238 -1.079 12.746 6 HA TYR 5 HA TYR 5 1.439 -1.399 10.001 7 1HB TYR 5 2HB TYR 5 -0.880 -1.592 10.993 8 2HB TYR 5 1HB TYR 5 0.285 -2.809 11.489 9 HD1 TYR 5 HD2 TYR 5 1.282 -2.677 13.787 10 HD2 TYR 5 HD1 TYR 5 -1.930 -0.166 12.570 11 HE1 TYR 5 HE2 TYR 5 0.766 -2.204 16.144 12 HE2 TYR 5 HE1 TYR 5 -2.460 0.309 14.921 13 HH TYR 5 HH TYR 5 -0.350 -0.495 17.483 14 H VAL 6 H VAL 6 2.348 0.758 9.507 15 HA VAL 6 HA VAL 6 0.143 2.502 9.016 16 HB VAL 6 HB VAL 6 0.655 3.324 11.236 17 1HG1 VAL 6 1HG1 VAL 6 2.835 4.286 11.798 18 2HG1 VAL 6 2HG1 VAL 6 3.469 3.750 10.243 19 3HG1 VAL 6 3HG1 VAL 6 2.954 2.563 11.440 20 1HG2 VAL 6 1HG2 VAL 6 1.144 5.679 10.717 21 2HG2 VAL 6 2HG2 VAL 6 -0.030 4.977 9.603 22 3HG2 VAL 6 3HG2 VAL 6 1.644 5.203 9.095 23 H MET 7 H MET 7 0.437 3.446 7.084 24 HA MET 7 HA MET 7 3.171 3.528 6.004 25 1HB MET 7 2HB MET 7 2.138 1.518 5.148 26 2HB MET 7 1HB MET 7 0.710 2.415 4.656 27 1HG MET 7 2HG MET 7 2.019 3.619 2.999 28 2HG MET 7 1HG MET 7 3.472 2.759 3.509 29 1HE MET 7 1HE MET 7 -0.158 1.265 3.216 30 2HE MET 7 2HE MET 7 -0.161 0.682 1.553 31 3HE MET 7 3HE MET 7 -0.092 2.413 1.879 32 H ALA 8 H ALA 8 3.695 5.410 5.119 33 HA ALA 8 HA ALA 8 1.577 7.343 4.519 34 1HB ALA 8 1HB ALA 8 4.563 7.742 4.728 35 2HB ALA 8 2HB ALA 8 3.389 8.089 5.998 36 3HB ALA 8 3HB ALA 8 3.361 9.012 4.495 37 H THR 9 H THR 9 1.058 7.848 2.494 38 HA THR 9 HA THR 9 2.742 6.722 0.356 39 HB THR 9 HB THR 9 0.698 6.630 -1.025 40 HG1 THR 9 HG1 THR 9 -1.214 7.256 -0.245 41 1HG2 THR 9 1HG2 THR 9 1.439 4.656 0.221 42 2HG2 THR 9 2HG2 THR 9 -0.321 4.713 0.106 43 3HG2 THR 9 3HG2 THR 9 0.480 5.171 1.609 44 H LYS 10 H LYS 10 1.998 7.809 -1.827 45 HA LYS 10 HA LYS 10 3.059 10.113 -2.487 46 1HB LYS 10 2HB LYS 10 1.673 8.716 -3.968 47 2HB LYS 10 1HB LYS 10 0.226 9.357 -3.211 48 1HG LYS 10 2HG LYS 10 0.698 11.554 -4.076 49 2HG LYS 10 1HG LYS 10 2.231 10.993 -4.743 50 1HD LYS 10 2HD LYS 10 0.598 11.108 -6.513 51 2HD LYS 10 1HD LYS 10 0.984 9.421 -6.191 52 1HE LYS 10 2HE LYS 10 -1.464 10.878 -5.177 53 2HE LYS 10 1HE LYS 10 -1.431 9.809 -6.571 54 1HZ LYS 10 1HZ LYS 10 -2.200 8.430 -4.927 55 2HZ LYS 10 2HZ LYS 10 -1.263 9.140 -3.710 56 3HZ LYS 10 3HZ LYS 10 -0.538 8.100 -4.841 57 H ASP 11 H ASP 11 -0.218 10.004 -1.161 58 HA ASP 11 HA ASP 11 -0.692 12.782 -1.378 59 1HB ASP 11 2HB ASP 11 -2.134 10.702 0.272 60 2HB ASP 11 1HB ASP 11 -2.759 12.289 -0.159 61 H GLY 12 H GLY 12 1.215 11.161 0.815 62 1HA GLY 12 2HA GLY 12 2.182 11.850 2.798 63 2HA GLY 12 1HA GLY 12 1.307 13.370 2.645 64 H ARG 13 H ARG 13 -0.574 10.575 2.347 65 HA ARG 13 HA ARG 13 -1.896 11.146 4.864 66 1HB ARG 13 2HB ARG 13 -3.628 9.594 4.087 67 2HB ARG 13 1HB ARG 13 -3.289 10.807 2.861 68 1HG ARG 13 2HG ARG 13 -2.101 9.271 1.525 69 2HG ARG 13 1HG ARG 13 -2.028 8.082 2.823 70 1HD ARG 13 2HD ARG 13 -3.680 7.356 1.265 71 2HD ARG 13 1HD ARG 13 -4.514 7.915 2.710 72 HE ARG 13 HE ARG 13 -4.326 9.450 0.196 73 1HH1 ARG 13 1HH1 ARG 13 -5.979 8.606 3.158 74 2HH1 ARG 13 2HH1 ARG 13 -7.413 9.505 2.780 75 1HH2 ARG 13 1HH2 ARG 13 -6.228 10.607 -0.349 76 2HH2 ARG 13 2HH2 ARG 13 -7.556 10.646 0.775 77 H MET 14 H MET 14 -2.039 9.734 6.544 78 HA MET 14 HA MET 14 -0.107 7.537 6.556 79 1HB MET 14 2HB MET 14 -1.602 8.871 8.829 80 2HB MET 14 1HB MET 14 -0.447 7.559 9.018 81 1HG MET 14 2HG MET 14 0.186 10.273 7.880 82 2HG MET 14 1HG MET 14 0.500 9.762 9.539 83 1HE MET 14 1HE MET 14 2.708 10.981 7.573 84 2HE MET 14 2HE MET 14 4.075 9.918 7.907 85 3HE MET 14 3HE MET 14 3.062 10.494 9.231 86 H ILE 15 H ILE 15 -1.023 5.761 5.740 87 HA ILE 15 HA ILE 15 -3.811 5.153 6.244 88 HB ILE 15 HB ILE 15 -1.739 3.457 4.827 89 1HG1 ILE 15 2HG1 ILE 15 -3.739 5.418 3.678 90 2HG1 ILE 15 1HG1 ILE 15 -1.995 5.656 3.749 91 1HG2 ILE 15 1HG2 ILE 15 -3.673 2.177 5.555 92 2HG2 ILE 15 2HG2 ILE 15 -3.696 2.362 3.799 93 3HG2 ILE 15 3HG2 ILE 15 -4.757 3.352 4.804 94 1HD1 ILE 15 1HD1 ILE 15 -1.680 3.746 2.260 95 2HD1 ILE 15 2HD1 ILE 15 -2.695 4.990 1.528 96 3HD1 ILE 15 3HD1 ILE 15 -3.428 3.524 2.183 97 H LEU 16 H LEU 16 -4.338 4.349 8.152 98 HA LEU 16 HA LEU 16 -2.518 2.896 9.806 99 1HB LEU 16 2HB LEU 16 -5.493 3.359 10.032 100 2HB LEU 16 1HB LEU 16 -4.565 2.468 11.219 101 HG LEU 16 HG LEU 16 -4.850 4.616 12.115 102 1HD1 LEU 16 1HD1 LEU 16 -2.587 3.771 12.366 103 2HD1 LEU 16 2HD1 LEU 16 -2.593 5.530 12.241 104 3HD1 LEU 16 3HD1 LEU 16 -2.115 4.550 10.855 105 1HD2 LEU 16 1HD2 LEU 16 -4.337 6.685 10.935 106 2HD2 LEU 16 2HD2 LEU 16 -5.580 5.763 10.091 107 3HD2 LEU 16 3HD2 LEU 16 -3.922 5.768 9.489 108 H THR 17 H THR 17 -1.938 1.285 8.273 109 HA THR 17 HA THR 17 -3.786 -0.587 7.224 110 HB THR 17 HB THR 17 -1.788 -1.918 6.651 111 HG1 THR 17 HG1 THR 17 -0.740 -0.673 8.730 112 1HG2 THR 17 1HG2 THR 17 -1.269 1.013 6.157 113 2HG2 THR 17 2HG2 THR 17 -2.469 0.068 5.281 114 3HG2 THR 17 3HG2 THR 17 -0.760 -0.348 5.156 115 H ASP 18 H ASP 18 -4.088 -2.801 7.845 116 HA ASP 18 HA ASP 18 -4.007 -3.393 10.624 117 1HB ASP 18 2HB ASP 18 -5.504 -4.509 8.902 118 2HB ASP 18 1HB ASP 18 -4.088 -5.412 8.371 119 H GLY 19 H GLY 19 -1.934 -4.070 7.892 120 1HA GLY 19 2HA GLY 19 0.439 -3.442 8.855 121 2HA GLY 19 1HA GLY 19 0.231 -5.025 9.604 122 H LYS 20 H LYS 20 2.367 -4.540 7.722 123 HA LYS 20 HA LYS 20 3.309 -6.063 6.332 124 1HB LYS 20 2HB LYS 20 0.671 -7.472 6.590 125 2HB LYS 20 1HB LYS 20 2.019 -8.107 5.653 126 1HG LYS 20 2HG LYS 20 3.384 -7.845 7.806 127 2HG LYS 20 1HG LYS 20 1.821 -7.677 8.609 128 1HD LYS 20 2HD LYS 20 1.129 -9.851 7.789 129 2HD LYS 20 1HD LYS 20 2.634 -10.014 6.881 130 1HE LYS 20 2HE LYS 20 3.861 -9.845 9.048 131 2HE LYS 20 1HE LYS 20 2.302 -9.910 9.869 132 1HZ LYS 20 1HZ LYS 20 1.899 -12.068 8.890 133 2HZ LYS 20 2HZ LYS 20 3.358 -12.087 9.749 134 3HZ LYS 20 3HZ LYS 20 3.373 -12.003 8.054 135 HA PRO 21 HA PRO 21 1.719 -4.413 2.453 136 1HB PRO 21 2HB PRO 21 3.924 -3.066 1.736 137 2HB PRO 21 1HB PRO 21 2.754 -2.393 2.876 138 1HG PRO 21 2HG PRO 21 5.449 -3.514 3.374 139 2HG PRO 21 1HG PRO 21 4.558 -2.278 4.275 140 1HD PRO 21 2HD PRO 21 4.815 -5.037 4.921 141 2HD PRO 21 1HD PRO 21 3.800 -3.830 5.732 142 H GLU 22 H GLU 22 1.672 -6.216 1.208 143 HA GLU 22 HA GLU 22 4.141 -7.652 0.637 144 1HB GLU 22 2HB GLU 22 1.252 -8.222 -0.013 145 2HB GLU 22 1HB GLU 22 2.580 -9.214 -0.596 146 1HG GLU 22 2HG GLU 22 1.933 -8.707 2.300 147 2HG GLU 22 1HG GLU 22 1.498 -10.154 1.392 148 H ILE 23 H ILE 23 5.351 -6.732 -0.865 149 HA ILE 23 HA ILE 23 4.247 -5.122 -2.963 150 HB ILE 23 HB ILE 23 7.089 -6.087 -2.628 151 1HG1 ILE 23 2HG1 ILE 23 5.791 -3.509 -1.713 152 2HG1 ILE 23 1HG1 ILE 23 6.273 -4.830 -0.659 153 1HG2 ILE 23 1HG2 ILE 23 7.656 -4.168 -4.043 154 2HG2 ILE 23 2HG2 ILE 23 5.939 -3.794 -4.213 155 3HG2 ILE 23 3HG2 ILE 23 6.584 -5.294 -4.880 156 1HD1 ILE 23 1HD1 ILE 23 8.603 -4.477 -1.274 157 2HD1 ILE 23 2HD1 ILE 23 7.883 -3.011 -0.608 158 3HD1 ILE 23 3HD1 ILE 23 8.122 -3.163 -2.348 159 H ASP 24 H ASP 24 3.329 -5.951 -4.685 160 HA ASP 24 HA ASP 24 3.885 -8.647 -5.549 161 1HB ASP 24 2HB ASP 24 2.021 -6.526 -6.637 162 2HB ASP 24 1HB ASP 24 2.153 -8.157 -7.292 163 H ASP 25 H ASP 25 5.695 -8.969 -6.616 164 HA ASP 25 HA ASP 25 7.070 -7.027 -8.143 165 1HB ASP 25 2HB ASP 25 8.152 -8.981 -7.069 166 2HB ASP 25 1HB ASP 25 7.331 -10.044 -8.206 167 H ASP 26 H ASP 26 4.534 -9.204 -8.808 168 HA ASP 26 HA ASP 26 4.751 -9.625 -11.547 169 1HB ASP 26 2HB ASP 26 2.228 -9.315 -9.908 170 2HB ASP 26 1HB ASP 26 2.334 -10.068 -11.494 171 H THR 27 H THR 27 2.539 -7.334 -9.977 172 HA THR 27 HA THR 27 2.263 -5.941 -12.527 173 HB THR 27 HB THR 27 0.182 -6.606 -11.573 174 HG1 THR 27 HG1 THR 27 0.806 -3.900 -11.639 175 1HG2 THR 27 1HG2 THR 27 0.887 -6.921 -9.270 176 2HG2 THR 27 2HG2 THR 27 -0.555 -5.911 -9.344 177 3HG2 THR 27 3HG2 THR 27 1.020 -5.174 -9.059 178 H GLY 28 H GLY 28 3.999 -5.573 -9.668 179 1HA GLY 28 2HA GLY 28 5.331 -3.811 -8.990 180 2HA GLY 28 1HA GLY 28 4.710 -2.870 -10.343 181 H LEU 29 H LEU 29 2.813 -4.477 -7.869 182 HA LEU 29 HA LEU 29 1.980 -1.846 -6.859 183 1HB LEU 29 2HB LEU 29 0.247 -4.310 -7.111 184 2HB LEU 29 1HB LEU 29 -0.260 -2.766 -6.456 185 HG LEU 29 HG LEU 29 0.400 -3.421 -9.324 186 1HD1 LEU 29 1HD1 LEU 29 -1.825 -4.054 -8.615 187 2HD1 LEU 29 2HD1 LEU 29 -1.902 -2.675 -9.709 188 3HD1 LEU 29 3HD1 LEU 29 -2.106 -2.436 -7.976 189 1HD2 LEU 29 1HD2 LEU 29 -0.177 -0.721 -8.120 190 2HD2 LEU 29 2HD2 LEU 29 -0.084 -1.082 -9.843 191 3HD2 LEU 29 3HD2 LEU 29 1.349 -1.248 -8.831 192 H VAL 30 H VAL 30 0.770 -2.260 -4.620 193 HA VAL 30 HA VAL 30 2.344 -4.219 -3.075 194 HB VAL 30 HB VAL 30 1.639 -1.414 -2.183 195 1HG1 VAL 30 1HG1 VAL 30 2.962 -1.941 -0.188 196 2HG1 VAL 30 2HG1 VAL 30 3.153 -3.597 -0.763 197 3HG1 VAL 30 3HG1 VAL 30 1.554 -2.990 -0.342 198 1HG2 VAL 30 1HG2 VAL 30 4.062 -1.034 -2.162 199 2HG2 VAL 30 2HG2 VAL 30 3.462 -1.394 -3.780 200 3HG2 VAL 30 3HG2 VAL 30 4.311 -2.636 -2.857 201 H SER 31 H SER 31 0.982 -5.690 -2.320 202 HA SER 31 HA SER 31 -1.789 -5.100 -1.776 203 1HB SER 31 2HB SER 31 -0.137 -7.590 -1.270 204 2HB SER 31 1HB SER 31 -1.880 -7.475 -1.034 205 HG SER 31 HG SER 31 -0.443 -7.193 -3.485 206 H TYR 32 H TYR 32 -2.020 -3.728 -0.086 207 HA TYR 32 HA TYR 32 -0.677 -4.398 2.440 208 1HB TYR 32 2HB TYR 32 -0.989 -2.182 3.137 209 2HB TYR 32 1HB TYR 32 -0.620 -2.017 1.426 210 HD1 TYR 32 HD1 TYR 32 -2.691 -1.799 -0.173 211 HD2 TYR 32 HD2 TYR 32 -2.858 -1.164 4.027 212 HE1 TYR 32 HE1 TYR 32 -4.758 -0.495 -0.456 213 HE2 TYR 32 HE2 TYR 32 -4.921 0.142 3.758 214 HH TYR 32 HH TYR 32 -6.793 0.096 1.066 215 H HIS 33 H HIS 33 -2.217 -3.732 4.389 216 HA HIS 33 HA HIS 33 -4.821 -5.005 3.876 217 1HB HIS 33 2HB HIS 33 -3.066 -5.184 6.338 218 2HB HIS 33 1HB HIS 33 -4.729 -5.756 6.277 219 HD1 HIS 33 HD1 HIS 33 -1.272 -6.715 5.434 220 HD2 HIS 33 HD2 HIS 33 -5.123 -8.007 4.526 221 HE1 HIS 33 HE1 HIS 33 -1.003 -9.009 4.437 222 HE2 HIS 33 HE2 HIS 33 -3.338 -9.738 3.806 223 H ASP 34 H ASP 34 -6.479 -3.722 4.137 224 HA ASP 34 HA ASP 34 -6.474 -1.090 4.995 225 1HB ASP 34 2HB ASP 34 -8.438 -3.030 4.235 226 2HB ASP 34 1HB ASP 34 -9.021 -2.138 5.635 227 H GLN 35 H GLN 35 -7.887 -0.216 6.742 228 HA GLN 35 HA GLN 35 -7.158 -0.994 9.347 229 1HB GLN 35 2HB GLN 35 -9.634 0.512 8.451 230 2HB GLN 35 1HB GLN 35 -8.958 0.503 10.073 231 1HG GLN 35 2HG GLN 35 -7.061 1.734 9.396 232 2HG GLN 35 1HG GLN 35 -7.440 1.509 7.688 233 1HE2 GLN 35 1HE2 GLN 35 -8.301 3.174 10.625 234 2HE2 GLN 35 2HE2 GLN 35 -9.238 4.424 9.870 235 H GLN 36 H GLN 36 -9.689 -1.910 7.159 236 HA GLN 36 HA GLN 36 -11.138 -3.499 9.089 237 1HB GLN 36 2HB GLN 36 -11.438 -3.463 6.081 238 2HB GLN 36 1HB GLN 36 -12.612 -4.037 7.255 239 1HG GLN 36 2HG GLN 36 -11.744 -1.203 6.774 240 2HG GLN 36 1HG GLN 36 -13.324 -1.912 6.459 241 1HE2 GLN 36 1HE2 GLN 36 -12.531 0.383 8.104 242 2HE2 GLN 36 2HE2 GLN 36 -13.164 0.065 9.680 243 H GLY 37 H GLY 37 -8.401 -3.916 7.150 244 1HA GLY 37 2HA GLY 37 -7.027 -5.859 7.424 245 2HA GLY 37 1HA GLY 37 -8.486 -6.814 7.641 246 H ASN 38 H ASN 38 -9.091 -4.768 5.151 247 HA ASN 38 HA ASN 38 -9.304 -6.734 3.194 248 1HB ASN 38 2HB ASN 38 -8.949 -3.755 2.813 249 2HB ASN 38 1HB ASN 38 -9.501 -4.873 1.575 250 1HD2 ASN 38 1HD2 ASN 38 -10.723 -2.507 2.835 251 2HD2 ASN 38 2HD2 ASN 38 -12.274 -3.053 3.386 252 H ALA 39 H ALA 39 -7.851 -7.725 1.919 253 HA ALA 39 HA ALA 39 -5.144 -6.726 1.708 254 1HB ALA 39 1HB ALA 39 -5.517 -9.132 1.839 255 2HB ALA 39 2HB ALA 39 -4.750 -8.705 0.309 256 3HB ALA 39 3HB ALA 39 -6.473 -9.077 0.359 257 H MET 40 H MET 40 -4.953 -4.928 0.499 258 HA MET 40 HA MET 40 -6.237 -4.908 -2.153 259 1HB MET 40 2HB MET 40 -6.194 -2.719 -0.081 260 2HB MET 40 1HB MET 40 -6.566 -2.420 -1.776 261 1HG MET 40 2HG MET 40 -8.518 -3.683 -1.697 262 2HG MET 40 1HG MET 40 -8.040 -4.488 -0.205 263 1HE MET 40 1HE MET 40 -8.700 -0.821 -1.605 264 2HE MET 40 2HE MET 40 -7.427 -0.630 -0.392 265 3HE MET 40 3HE MET 40 -9.041 0.014 -0.088 266 H GLN 41 H GLN 41 -5.153 -3.777 -3.794 267 HA GLN 41 HA GLN 41 -2.275 -3.580 -3.249 268 1HB GLN 41 2HB GLN 41 -3.715 -3.895 -5.887 269 2HB GLN 41 1HB GLN 41 -1.971 -3.892 -5.662 270 1HG GLN 41 2HG GLN 41 -2.125 -5.927 -4.343 271 2HG GLN 41 1HG GLN 41 -3.877 -5.926 -4.525 272 1HE2 GLN 41 1HE2 GLN 41 -1.702 -5.002 -7.082 273 2HE2 GLN 41 2HE2 GLN 41 -1.986 -6.375 -8.093 274 H ILE 42 H ILE 42 -1.379 -1.638 -3.145 275 HA ILE 42 HA ILE 42 -2.596 0.559 -4.687 276 HB ILE 42 HB ILE 42 -1.481 2.141 -3.303 277 1HG1 ILE 42 2HG1 ILE 42 -0.170 -0.031 -1.677 278 2HG1 ILE 42 1HG1 ILE 42 0.628 0.665 -3.085 279 1HG2 ILE 42 1HG2 ILE 42 -2.373 1.632 -1.078 280 2HG2 ILE 42 2HG2 ILE 42 -2.618 -0.042 -1.575 281 3HG2 ILE 42 3HG2 ILE 42 -3.520 1.253 -2.365 282 1HD1 ILE 42 1HD1 ILE 42 1.309 1.696 -0.960 283 2HD1 ILE 42 2HD1 ILE 42 -0.353 2.239 -0.723 284 3HD1 ILE 42 3HD1 ILE 42 0.587 2.841 -2.090 285 H ASN 43 H ASN 43 -0.674 2.204 -5.279 286 HA ASN 43 HA ASN 43 0.867 0.757 -7.208 287 1HB ASN 43 2HB ASN 43 -0.177 3.064 -7.499 288 2HB ASN 43 1HB ASN 43 1.129 3.679 -6.498 289 1HD2 ASN 43 1HD2 ASN 43 3.096 4.019 -7.382 290 2HD2 ASN 43 2HD2 ASN 43 3.486 3.709 -9.046 291 H ARG 44 H ARG 44 2.911 0.036 -7.022 292 HA ARG 44 HA ARG 44 4.286 -0.121 -4.613 293 1HB ARG 44 2HB ARG 44 4.778 -1.597 -6.453 294 2HB ARG 44 1HB ARG 44 5.322 -0.255 -7.444 295 1HG ARG 44 2HG ARG 44 7.118 0.090 -5.654 296 2HG ARG 44 1HG ARG 44 6.678 -1.527 -5.100 297 1HD ARG 44 2HD ARG 44 8.552 -1.621 -6.656 298 2HD ARG 44 1HD ARG 44 7.128 -2.418 -7.328 299 HE ARG 44 HE ARG 44 7.394 0.352 -8.097 300 1HH1 ARG 44 1HH1 ARG 44 8.233 -2.961 -8.901 301 2HH1 ARG 44 2HH1 ARG 44 8.558 -2.593 -10.574 302 1HH2 ARG 44 1HH2 ARG 44 7.776 0.816 -10.283 303 2HH2 ARG 44 2HH2 ARG 44 8.292 -0.452 -11.357 304 H ASP 45 H ASP 45 4.666 2.200 -7.244 305 HA ASP 45 HA ASP 45 6.840 3.544 -5.878 306 1HB ASP 45 2HB ASP 45 5.431 4.140 -8.487 307 2HB ASP 45 1HB ASP 45 6.826 5.026 -7.878 308 H ASP 46 H ASP 46 3.712 3.511 -5.268 309 HA ASP 46 HA ASP 46 3.355 6.405 -4.932 310 1HB ASP 46 2HB ASP 46 1.524 4.772 -5.780 311 2HB ASP 46 1HB ASP 46 1.393 4.274 -4.097 312 H VAL 47 H VAL 47 4.269 3.567 -3.292 313 HA VAL 47 HA VAL 47 3.680 4.323 -0.620 314 HB VAL 47 HB VAL 47 5.988 2.546 -1.392 315 1HG1 VAL 47 1HG1 VAL 47 5.652 3.149 0.981 316 2HG1 VAL 47 2HG1 VAL 47 5.490 1.419 0.672 317 3HG1 VAL 47 3HG1 VAL 47 4.051 2.410 0.907 318 1HG2 VAL 47 1HG2 VAL 47 4.090 1.827 -2.739 319 2HG2 VAL 47 2HG2 VAL 47 3.084 1.755 -1.294 320 3HG2 VAL 47 3HG2 VAL 47 4.446 0.650 -1.474 321 H SER 48 H SER 48 4.473 6.117 0.254 322 HA SER 48 HA SER 48 6.875 7.298 -0.839 323 1HB SER 48 2HB SER 48 4.897 8.691 -0.513 324 2HB SER 48 1HB SER 48 4.908 8.332 1.212 325 HG SER 48 HG SER 48 6.732 9.881 -0.309 326 H GLN 49 H GLN 49 5.717 6.262 2.377 327 HA GLN 49 HA GLN 49 8.383 5.572 3.187 328 1HB GLN 49 2HB GLN 49 8.279 8.098 3.421 329 2HB GLN 49 1HB GLN 49 7.066 7.850 4.668 330 1HG GLN 49 2HG GLN 49 9.005 8.096 5.889 331 2HG GLN 49 1HG GLN 49 8.845 6.343 5.775 332 1HE2 GLN 49 1HE2 GLN 49 10.298 5.183 4.488 333 2HE2 GLN 49 2HE2 GLN 49 11.765 5.890 3.891 334 H ILE 50 H ILE 50 8.300 4.046 4.752 335 HA ILE 50 HA ILE 50 5.775 3.730 6.221 336 HB ILE 50 HB ILE 50 8.109 1.810 5.964 337 1HG1 ILE 50 2HG1 ILE 50 6.232 0.360 4.923 338 2HG1 ILE 50 1HG1 ILE 50 5.362 1.876 4.731 339 1HG2 ILE 50 1HG2 ILE 50 7.111 1.625 8.159 340 2HG2 ILE 50 2HG2 ILE 50 6.703 0.210 7.188 341 3HG2 ILE 50 3HG2 ILE 50 5.505 1.479 7.444 342 1HD1 ILE 50 1HD1 ILE 50 7.176 2.741 3.351 343 2HD1 ILE 50 2HD1 ILE 50 6.511 1.246 2.690 344 3HD1 ILE 50 3HD1 ILE 50 8.052 1.224 3.550 345 H ILE 51 H ILE 51 5.811 4.999 7.984 346 HA ILE 51 HA ILE 51 8.241 5.619 9.366 347 HB ILE 51 HB ILE 51 6.709 6.680 11.072 348 1HG1 ILE 51 2HG1 ILE 51 4.581 6.054 9.014 349 2HG1 ILE 51 1HG1 ILE 51 4.731 5.248 10.574 350 1HG2 ILE 51 1HG2 ILE 51 6.450 7.526 8.191 351 2HG2 ILE 51 2HG2 ILE 51 7.750 7.961 9.300 352 3HG2 ILE 51 3HG2 ILE 51 6.111 8.549 9.587 353 1HD1 ILE 51 1HD1 ILE 51 4.373 7.404 11.693 354 2HD1 ILE 51 2HD1 ILE 51 3.019 6.946 10.661 355 3HD1 ILE 51 3HD1 ILE 51 4.167 8.169 10.118 356 H GLU 52 H GLU 52 9.247 4.211 10.584 357 HA GLU 52 HA GLU 52 7.652 2.287 12.128 358 1HB GLU 52 2HB GLU 52 9.567 0.686 11.771 359 2HB GLU 52 1HB GLU 52 8.627 1.066 10.334 360 1HG GLU 52 2HG GLU 52 10.330 2.587 9.569 361 2HG GLU 52 1HG GLU 52 11.252 2.351 11.053 362 H ARG 53 H ARG 53 8.027 2.181 14.222 363 HA ARG 53 HA ARG 53 9.032 2.259 16.249 364 1HB ARG 53 2HB ARG 53 10.872 1.054 15.191 365 2HB ARG 53 1HB ARG 53 11.573 2.563 14.634 366 1HG ARG 53 2HG ARG 53 12.091 3.221 16.875 367 2HG ARG 53 1HG ARG 53 11.215 1.837 17.531 368 1HD ARG 53 2HD ARG 53 13.657 1.508 17.544 369 2HD ARG 53 1HD ARG 53 12.818 0.311 16.560 370 HE ARG 53 HE ARG 53 13.564 1.547 14.592 371 1HH1 ARG 53 1HH1 ARG 53 15.185 2.243 17.633 372 2HH1 ARG 53 2HH1 ARG 53 16.659 2.764 16.867 373 1HH2 ARG 53 1HH2 ARG 53 15.518 2.206 13.602 374 2HH2 ARG 53 2HH2 ARG 53 16.837 2.749 14.591 Start of MODEL 17 1 H ASP 4 H ASP 4 -2.914 0.570 15.588 2 HA ASP 4 HA ASP 4 -0.490 1.785 16.173 3 1HB ASP 4 2HB ASP 4 -1.288 -0.469 16.939 4 2HB ASP 4 1HB ASP 4 -0.874 -1.092 15.346 5 H TYR 5 H TYR 5 -1.424 0.048 13.214 6 HA TYR 5 HA TYR 5 1.135 0.853 12.038 7 1HB TYR 5 2HB TYR 5 -0.880 -1.145 10.999 8 2HB TYR 5 1HB TYR 5 0.704 -0.814 10.311 9 HD1 TYR 5 HD2 TYR 5 2.729 -1.617 11.405 10 HD2 TYR 5 HD1 TYR 5 -1.116 -2.456 13.004 11 HE1 TYR 5 HE2 TYR 5 3.708 -3.372 12.824 12 HE2 TYR 5 HE1 TYR 5 -0.155 -4.211 14.422 13 HH TYR 5 HH TYR 5 1.862 -5.697 14.396 14 H VAL 6 H VAL 6 1.261 2.302 10.476 15 HA VAL 6 HA VAL 6 -1.100 2.983 8.916 16 HB VAL 6 HB VAL 6 -1.104 4.641 10.704 17 1HG1 VAL 6 1HG1 VAL 6 1.711 5.282 9.840 18 2HG1 VAL 6 2HG1 VAL 6 1.219 4.550 11.368 19 3HG1 VAL 6 3HG1 VAL 6 0.759 6.211 10.999 20 1HG2 VAL 6 1HG2 VAL 6 -0.153 5.789 8.078 21 2HG2 VAL 6 2HG2 VAL 6 -0.973 6.695 9.349 22 3HG2 VAL 6 3HG2 VAL 6 -1.816 5.392 8.514 23 H MET 7 H MET 7 -0.641 3.253 6.833 24 HA MET 7 HA MET 7 2.177 3.074 6.056 25 1HB MET 7 2HB MET 7 0.536 1.399 5.172 26 2HB MET 7 1HB MET 7 -0.298 2.707 4.351 27 1HG MET 7 2HG MET 7 2.606 2.225 3.844 28 2HG MET 7 1HG MET 7 1.386 1.235 3.052 29 1HE MET 7 1HE MET 7 -0.440 2.167 1.405 30 2HE MET 7 2HE MET 7 -0.626 3.872 0.998 31 3HE MET 7 3HE MET 7 -0.988 3.311 2.631 32 H ALA 8 H ALA 8 3.182 4.863 5.528 33 HA ALA 8 HA ALA 8 1.657 7.256 4.868 34 1HB ALA 8 1HB ALA 8 3.772 8.437 5.195 35 2HB ALA 8 2HB ALA 8 4.603 6.898 5.415 36 3HB ALA 8 3HB ALA 8 3.391 7.421 6.584 37 H THR 9 H THR 9 1.461 7.977 2.851 38 HA THR 9 HA THR 9 2.952 6.607 0.740 39 HB THR 9 HB THR 9 1.383 7.754 -0.794 40 HG1 THR 9 HG1 THR 9 -0.029 8.570 1.544 41 1HG2 THR 9 1HG2 THR 9 0.830 5.522 0.023 42 2HG2 THR 9 2HG2 THR 9 -0.632 6.494 -0.156 43 3HG2 THR 9 3HG2 THR 9 0.058 6.222 1.445 44 H LYS 10 H LYS 10 3.761 7.906 -1.094 45 HA LYS 10 HA LYS 10 5.151 10.293 -0.249 46 1HB LYS 10 2HB LYS 10 6.130 8.657 -1.866 47 2HB LYS 10 1HB LYS 10 4.881 9.097 -3.023 48 1HG LYS 10 2HG LYS 10 5.752 11.313 -3.223 49 2HG LYS 10 1HG LYS 10 6.871 11.048 -1.885 50 1HD LYS 10 2HD LYS 10 8.020 10.905 -4.033 51 2HD LYS 10 1HD LYS 10 8.042 9.351 -3.195 52 1HE LYS 10 2HE LYS 10 6.097 8.648 -4.577 53 2HE LYS 10 1HE LYS 10 6.235 10.160 -5.473 54 1HZ LYS 10 1HZ LYS 10 8.414 9.518 -6.226 55 2HZ LYS 10 2HZ LYS 10 7.322 8.275 -6.575 56 3HZ LYS 10 3HZ LYS 10 8.386 8.119 -5.266 57 H ASP 11 H ASP 11 2.173 9.438 -1.638 58 HA ASP 11 HA ASP 11 1.415 11.812 -2.937 59 1HB ASP 11 2HB ASP 11 0.106 9.804 -3.214 60 2HB ASP 11 1HB ASP 11 -0.205 9.710 -1.485 61 H GLY 12 H GLY 12 1.139 10.753 0.424 62 1HA GLY 12 2HA GLY 12 1.619 12.615 2.045 63 2HA GLY 12 1HA GLY 12 0.384 13.510 1.166 64 H ARG 13 H ARG 13 -1.125 10.946 0.813 65 HA ARG 13 HA ARG 13 -2.805 11.200 3.084 66 1HB ARG 13 2HB ARG 13 -4.020 9.261 2.068 67 2HB ARG 13 1HB ARG 13 -3.791 10.624 0.980 68 1HG ARG 13 2HG ARG 13 -1.864 9.450 -0.026 69 2HG ARG 13 1HG ARG 13 -2.207 8.064 1.010 70 1HD ARG 13 2HD ARG 13 -4.347 7.751 -0.022 71 2HD ARG 13 1HD ARG 13 -4.171 9.245 -0.942 72 HE ARG 13 HE ARG 13 -2.105 7.293 -1.440 73 1HH1 ARG 13 1HH1 ARG 13 -5.254 8.499 -2.365 74 2HH1 ARG 13 2HH1 ARG 13 -5.212 7.781 -3.952 75 1HH2 ARG 13 1HH2 ARG 13 -1.996 6.391 -3.541 76 2HH2 ARG 13 2HH2 ARG 13 -3.338 6.627 -4.630 77 H MET 14 H MET 14 -3.142 9.858 4.793 78 HA MET 14 HA MET 14 -1.086 7.797 5.275 79 1HB MET 14 2HB MET 14 -2.750 9.358 7.267 80 2HB MET 14 1HB MET 14 -1.565 8.127 7.677 81 1HG MET 14 2HG MET 14 -0.962 10.721 6.273 82 2HG MET 14 1HG MET 14 -0.723 10.407 7.990 83 1HE MET 14 1HE MET 14 1.528 11.493 5.958 84 2HE MET 14 2HE MET 14 2.924 10.571 6.519 85 3HE MET 14 3HE MET 14 1.794 11.262 7.686 86 H ILE 15 H ILE 15 -1.791 5.763 5.168 87 HA ILE 15 HA ILE 15 -4.684 5.295 5.482 88 HB ILE 15 HB ILE 15 -2.635 3.674 3.962 89 1HG1 ILE 15 2HG1 ILE 15 -4.987 5.325 3.006 90 2HG1 ILE 15 1HG1 ILE 15 -3.293 5.787 2.865 91 1HG2 ILE 15 1HG2 ILE 15 -5.604 3.213 4.256 92 2HG2 ILE 15 2HG2 ILE 15 -4.330 2.245 4.997 93 3HG2 ILE 15 3HG2 ILE 15 -4.500 2.282 3.243 94 1HD1 ILE 15 1HD1 ILE 15 -4.116 4.947 0.760 95 2HD1 ILE 15 2HD1 ILE 15 -4.624 3.442 1.526 96 3HD1 ILE 15 3HD1 ILE 15 -2.910 3.842 1.419 97 H LEU 16 H LEU 16 -5.346 4.151 7.195 98 HA LEU 16 HA LEU 16 -3.509 3.039 9.065 99 1HB LEU 16 2HB LEU 16 -6.508 2.789 8.811 100 2HB LEU 16 1HB LEU 16 -5.594 2.061 10.116 101 HG LEU 16 HG LEU 16 -6.488 4.038 11.008 102 1HD1 LEU 16 1HD1 LEU 16 -3.657 4.629 10.170 103 2HD1 LEU 16 2HD1 LEU 16 -4.168 3.730 11.599 104 3HD1 LEU 16 3HD1 LEU 16 -4.537 5.449 11.461 105 1HD2 LEU 16 1HD2 LEU 16 -6.325 6.227 9.958 106 2HD2 LEU 16 2HD2 LEU 16 -7.174 5.084 8.916 107 3HD2 LEU 16 3HD2 LEU 16 -5.497 5.514 8.575 108 H THR 17 H THR 17 -2.895 0.952 9.383 109 HA THR 17 HA THR 17 -3.925 -1.097 7.562 110 HB THR 17 HB THR 17 -1.471 -1.792 7.166 111 HG1 THR 17 HG1 THR 17 -1.159 0.685 8.425 112 1HG2 THR 17 1HG2 THR 17 -2.870 -0.855 5.379 113 2HG2 THR 17 2HG2 THR 17 -1.212 -0.270 5.248 114 3HG2 THR 17 3HG2 THR 17 -2.467 0.778 5.908 115 H ASP 18 H ASP 18 -3.150 -3.307 8.222 116 HA ASP 18 HA ASP 18 -2.449 -3.473 11.055 117 1HB ASP 18 2HB ASP 18 -4.055 -5.128 10.025 118 2HB ASP 18 1HB ASP 18 -2.715 -5.741 9.058 119 H GLY 19 H GLY 19 -1.057 -2.975 8.146 120 1HA GLY 19 2HA GLY 19 1.237 -2.210 8.184 121 2HA GLY 19 1HA GLY 19 1.611 -3.564 9.246 122 H LYS 20 H LYS 20 3.318 -3.613 7.279 123 HA LYS 20 HA LYS 20 4.144 -5.334 6.055 124 1HB LYS 20 2HB LYS 20 1.494 -6.664 6.579 125 2HB LYS 20 1HB LYS 20 2.896 -7.445 5.861 126 1HG LYS 20 2HG LYS 20 4.155 -6.841 7.966 127 2HG LYS 20 1HG LYS 20 2.596 -6.388 8.658 128 1HD LYS 20 2HD LYS 20 1.782 -8.685 8.139 129 2HD LYS 20 1HD LYS 20 3.424 -9.102 7.640 130 1HE LYS 20 2HE LYS 20 4.222 -8.467 9.898 131 2HE LYS 20 1HE LYS 20 2.548 -8.184 10.377 132 1HZ LYS 20 1HZ LYS 20 2.161 -10.573 9.658 133 2HZ LYS 20 2HZ LYS 20 3.024 -10.328 11.094 134 3HZ LYS 20 3HZ LYS 20 3.852 -10.742 9.671 135 HA PRO 21 HA PRO 21 2.021 -3.909 2.239 136 1HB PRO 21 2HB PRO 21 4.526 -2.653 1.522 137 2HB PRO 21 1HB PRO 21 2.951 -1.901 1.774 138 1HG PRO 21 2HG PRO 21 5.090 -1.527 3.420 139 2HG PRO 21 1HG PRO 21 3.405 -1.378 3.944 140 1HD PRO 21 2HD PRO 21 5.308 -3.657 4.320 141 2HD PRO 21 1HD PRO 21 4.102 -2.995 5.445 142 H GLU 22 H GLU 22 2.005 -5.851 1.240 143 HA GLU 22 HA GLU 22 4.450 -7.261 0.627 144 1HB GLU 22 2HB GLU 22 2.308 -8.400 1.256 145 2HB GLU 22 1HB GLU 22 1.630 -7.862 -0.273 146 1HG GLU 22 2HG GLU 22 3.261 -9.158 -1.491 147 2HG GLU 22 1HG GLU 22 4.037 -9.642 0.019 148 H ILE 23 H ILE 23 5.677 -6.425 -0.934 149 HA ILE 23 HA ILE 23 4.510 -4.861 -3.052 150 HB ILE 23 HB ILE 23 7.401 -5.704 -2.788 151 1HG1 ILE 23 2HG1 ILE 23 6.036 -3.198 -1.765 152 2HG1 ILE 23 1HG1 ILE 23 6.600 -4.526 -0.755 153 1HG2 ILE 23 1HG2 ILE 23 6.747 -4.871 -4.999 154 2HG2 ILE 23 2HG2 ILE 23 7.828 -3.739 -4.186 155 3HG2 ILE 23 3HG2 ILE 23 6.096 -3.410 -4.256 156 1HD1 ILE 23 1HD1 ILE 23 8.322 -2.739 -2.460 157 2HD1 ILE 23 2HD1 ILE 23 8.894 -4.076 -1.460 158 3HD1 ILE 23 3HD1 ILE 23 8.151 -2.666 -0.705 159 H ASP 24 H ASP 24 3.503 -5.866 -4.607 160 HA ASP 24 HA ASP 24 4.221 -8.497 -5.527 161 1HB ASP 24 2HB ASP 24 1.890 -7.936 -5.439 162 2HB ASP 24 1HB ASP 24 2.145 -6.475 -6.386 163 H ASP 25 H ASP 25 5.362 -9.022 -7.331 164 HA ASP 25 HA ASP 25 6.502 -6.763 -8.850 165 1HB ASP 25 2HB ASP 25 8.075 -8.239 -7.548 166 2HB ASP 25 1HB ASP 25 7.625 -9.565 -8.615 167 H ASP 26 H ASP 26 4.015 -8.674 -9.168 168 HA ASP 26 HA ASP 26 4.465 -9.640 -11.879 169 1HB ASP 26 2HB ASP 26 3.179 -11.078 -10.422 170 2HB ASP 26 1HB ASP 26 2.067 -9.772 -10.039 171 H THR 27 H THR 27 2.409 -7.305 -10.186 172 HA THR 27 HA THR 27 2.077 -5.878 -12.750 173 HB THR 27 HB THR 27 -0.079 -6.461 -11.847 174 HG1 THR 27 HG1 THR 27 0.692 -3.753 -11.707 175 1HG2 THR 27 1HG2 THR 27 0.579 -6.785 -9.502 176 2HG2 THR 27 2HG2 THR 27 -0.842 -5.749 -9.647 177 3HG2 THR 27 3HG2 THR 27 0.738 -5.038 -9.316 178 H GLY 28 H GLY 28 3.468 -5.782 -9.621 179 1HA GLY 28 2HA GLY 28 5.067 -4.254 -8.878 180 2HA GLY 28 1HA GLY 28 4.637 -3.192 -10.213 181 H LEU 29 H LEU 29 2.386 -4.587 -7.902 182 HA LEU 29 HA LEU 29 1.840 -1.864 -6.934 183 1HB LEU 29 2HB LEU 29 -0.056 -4.211 -7.072 184 2HB LEU 29 1HB LEU 29 -0.449 -2.620 -6.456 185 HG LEU 29 HG LEU 29 0.141 -3.384 -9.309 186 1HD1 LEU 29 1HD1 LEU 29 -2.110 -2.506 -9.698 187 2HD1 LEU 29 2HD1 LEU 29 -2.280 -2.190 -7.973 188 3HD1 LEU 29 3HD1 LEU 29 -2.117 -3.847 -8.552 189 1HD2 LEU 29 1HD2 LEU 29 -0.243 -0.621 -8.163 190 2HD2 LEU 29 2HD2 LEU 29 -0.160 -1.029 -9.877 191 3HD2 LEU 29 3HD2 LEU 29 1.249 -1.270 -8.844 192 H VAL 30 H VAL 30 1.172 -1.670 -4.709 193 HA VAL 30 HA VAL 30 2.624 -3.592 -3.023 194 HB VAL 30 HB VAL 30 1.783 -0.751 -2.439 195 1HG1 VAL 30 1HG1 VAL 30 3.159 -0.955 -0.428 196 2HG1 VAL 30 2HG1 VAL 30 3.456 -2.652 -0.808 197 3HG1 VAL 30 3HG1 VAL 30 1.824 -2.108 -0.420 198 1HG2 VAL 30 1HG2 VAL 30 4.524 -1.882 -2.966 199 2HG2 VAL 30 2HG2 VAL 30 4.139 -0.204 -2.585 200 3HG2 VAL 30 3HG2 VAL 30 3.580 -0.915 -4.099 201 H SER 31 H SER 31 1.355 -5.061 -2.107 202 HA SER 31 HA SER 31 -1.446 -4.550 -1.632 203 1HB SER 31 2HB SER 31 0.189 -6.976 -0.874 204 2HB SER 31 1HB SER 31 -1.567 -6.878 -0.983 205 HG SER 31 HG SER 31 -1.173 -7.603 -2.937 206 H TYR 32 H TYR 32 -2.055 -3.442 0.090 207 HA TYR 32 HA TYR 32 -0.559 -3.793 2.604 208 1HB TYR 32 2HB TYR 32 -1.346 -1.579 3.271 209 2HB TYR 32 1HB TYR 32 -0.493 -1.486 1.738 210 HD1 TYR 32 HD1 TYR 32 -2.162 -1.792 -0.380 211 HD2 TYR 32 HD2 TYR 32 -3.272 -0.319 3.454 212 HE1 TYR 32 HE1 TYR 32 -4.081 -0.631 -1.385 213 HE2 TYR 32 HE2 TYR 32 -5.193 0.839 2.451 214 HH TYR 32 HH TYR 32 -6.235 0.274 -0.744 215 H HIS 33 H HIS 33 -1.765 -3.986 4.544 216 HA HIS 33 HA HIS 33 -4.372 -5.240 4.049 217 1HB HIS 33 2HB HIS 33 -2.441 -5.580 6.360 218 2HB HIS 33 1HB HIS 33 -3.994 -6.399 6.216 219 HD1 HIS 33 HD1 HIS 33 -0.469 -6.648 5.210 220 HD2 HIS 33 HD2 HIS 33 -4.107 -8.271 4.015 221 HE1 HIS 33 HE1 HIS 33 0.113 -8.630 3.772 222 HE2 HIS 33 HE2 HIS 33 -2.102 -9.475 2.906 223 H ASP 34 H ASP 34 -6.128 -4.304 4.707 224 HA ASP 34 HA ASP 34 -6.247 -1.761 5.880 225 1HB ASP 34 2HB ASP 34 -8.105 -3.739 4.905 226 2HB ASP 34 1HB ASP 34 -8.702 -3.024 6.395 227 H GLN 35 H GLN 35 -7.161 -1.091 7.869 228 HA GLN 35 HA GLN 35 -6.614 -2.698 10.182 229 1HB GLN 35 2HB GLN 35 -6.531 -0.206 10.184 230 2HB GLN 35 1HB GLN 35 -8.263 -0.168 9.908 231 1HG GLN 35 2HG GLN 35 -7.824 0.275 12.214 232 2HG GLN 35 1HG GLN 35 -8.601 -1.301 12.070 233 1HE2 GLN 35 1HE2 GLN 35 -5.230 -0.753 11.310 234 2HE2 GLN 35 2HE2 GLN 35 -4.584 -1.644 12.647 235 H GLN 36 H GLN 36 -9.089 -2.455 7.911 236 HA GLN 36 HA GLN 36 -11.205 -3.532 9.562 237 1HB GLN 36 2HB GLN 36 -11.098 -3.226 6.553 238 2HB GLN 36 1HB GLN 36 -12.533 -3.523 7.524 239 1HG GLN 36 2HG GLN 36 -12.278 -1.341 8.570 240 2HG GLN 36 1HG GLN 36 -10.831 -1.043 7.615 241 1HE2 GLN 36 1HE2 GLN 36 -13.332 0.440 7.735 242 2HE2 GLN 36 2HE2 GLN 36 -13.941 0.480 6.115 243 H GLY 37 H GLY 37 -8.484 -4.786 8.150 244 1HA GLY 37 2HA GLY 37 -7.820 -7.022 8.051 245 2HA GLY 37 1HA GLY 37 -9.491 -7.503 8.322 246 H ASN 38 H ASN 38 -8.391 -5.284 5.838 247 HA ASN 38 HA ASN 38 -9.357 -7.175 3.796 248 1HB ASN 38 2HB ASN 38 -9.027 -4.166 3.660 249 2HB ASN 38 1HB ASN 38 -9.598 -5.180 2.343 250 1HD2 ASN 38 1HD2 ASN 38 -10.779 -2.949 3.986 251 2HD2 ASN 38 2HD2 ASN 38 -12.318 -3.568 4.489 252 H ALA 39 H ALA 39 -8.172 -7.196 1.742 253 HA ALA 39 HA ALA 39 -5.370 -6.327 2.012 254 1HB ALA 39 1HB ALA 39 -4.704 -8.210 0.613 255 2HB ALA 39 2HB ALA 39 -6.382 -8.744 0.517 256 3HB ALA 39 3HB ALA 39 -5.536 -8.770 2.064 257 H MET 40 H MET 40 -5.163 -4.564 0.813 258 HA MET 40 HA MET 40 -6.386 -4.550 -1.867 259 1HB MET 40 2HB MET 40 -6.038 -2.199 0.009 260 2HB MET 40 1HB MET 40 -6.618 -2.090 -1.649 261 1HG MET 40 2HG MET 40 -8.492 -3.587 -1.018 262 2HG MET 40 1HG MET 40 -7.953 -3.490 0.655 263 1HE MET 40 1HE MET 40 -8.582 0.245 1.547 264 2HE MET 40 2HE MET 40 -7.075 -0.526 1.048 265 3HE MET 40 3HE MET 40 -8.163 -1.354 2.164 266 H GLN 41 H GLN 41 -5.211 -2.779 -3.282 267 HA GLN 41 HA GLN 41 -2.319 -3.024 -2.776 268 1HB GLN 41 2HB GLN 41 -3.714 -3.635 -5.392 269 2HB GLN 41 1HB GLN 41 -1.970 -3.577 -5.165 270 1HG GLN 41 2HG GLN 41 -2.127 -5.432 -3.571 271 2HG GLN 41 1HG GLN 41 -3.868 -5.496 -3.828 272 1HE2 GLN 41 1HE2 GLN 41 -1.590 -4.852 -6.388 273 2HE2 GLN 41 2HE2 GLN 41 -1.811 -6.345 -7.226 274 H ILE 42 H ILE 42 -1.242 -1.174 -3.031 275 HA ILE 42 HA ILE 42 -2.494 0.976 -4.617 276 HB ILE 42 HB ILE 42 -1.106 2.581 -3.457 277 1HG1 ILE 42 2HG1 ILE 42 -0.075 0.478 -1.590 278 2HG1 ILE 42 1HG1 ILE 42 0.753 0.784 -3.117 279 1HG2 ILE 42 1HG2 ILE 42 -3.229 2.037 -2.411 280 2HG2 ILE 42 2HG2 ILE 42 -2.011 2.417 -1.192 281 3HG2 ILE 42 3HG2 ILE 42 -2.460 0.740 -1.495 282 1HD1 ILE 42 1HD1 ILE 42 1.067 3.100 -2.515 283 2HD1 ILE 42 2HD1 ILE 42 1.730 2.038 -1.267 284 3HD1 ILE 42 3HD1 ILE 42 0.183 2.849 -1.009 285 H ASN 43 H ASN 43 -0.494 2.536 -5.320 286 HA ASN 43 HA ASN 43 0.953 0.899 -7.216 287 1HB ASN 43 2HB ASN 43 -0.153 3.013 -7.888 288 2HB ASN 43 1HB ASN 43 0.949 3.898 -6.846 289 1HD2 ASN 43 1HD2 ASN 43 1.608 5.056 -8.685 290 2HD2 ASN 43 2HD2 ASN 43 2.778 4.384 -9.772 291 H ARG 44 H ARG 44 3.228 0.917 -7.473 292 HA ARG 44 HA ARG 44 4.617 0.555 -5.052 293 1HB ARG 44 2HB ARG 44 5.258 -0.711 -6.973 294 2HB ARG 44 1HB ARG 44 5.567 0.746 -7.907 295 1HG ARG 44 2HG ARG 44 7.425 1.279 -6.339 296 2HG ARG 44 1HG ARG 44 7.161 -0.288 -5.575 297 1HD ARG 44 2HD ARG 44 8.991 -0.228 -7.293 298 2HD ARG 44 1HD ARG 44 7.748 -1.451 -7.558 299 HE ARG 44 HE ARG 44 6.880 -0.147 -9.347 300 1HH1 ARG 44 1HH1 ARG 44 9.819 1.196 -7.978 301 2HH1 ARG 44 2HH1 ARG 44 10.227 2.096 -9.405 302 1HH2 ARG 44 1HH2 ARG 44 7.391 1.038 -11.218 303 2HH2 ARG 44 2HH2 ARG 44 8.829 2.021 -11.249 304 H ASP 45 H ASP 45 4.717 3.260 -7.382 305 HA ASP 45 HA ASP 45 6.729 4.546 -5.720 306 1HB ASP 45 2HB ASP 45 6.928 6.217 -7.430 307 2HB ASP 45 1HB ASP 45 6.897 4.641 -8.209 308 H ASP 46 H ASP 46 3.547 4.197 -5.437 309 HA ASP 46 HA ASP 46 2.911 6.925 -4.652 310 1HB ASP 46 2HB ASP 46 1.205 5.475 -5.756 311 2HB ASP 46 1HB ASP 46 1.249 4.409 -4.357 312 H VAL 47 H VAL 47 3.686 3.824 -3.242 313 HA VAL 47 HA VAL 47 3.154 4.554 -0.533 314 HB VAL 47 HB VAL 47 3.205 2.197 -1.360 315 1HG1 VAL 47 1HG1 VAL 47 5.350 1.059 -1.614 316 2HG1 VAL 47 2HG1 VAL 47 6.188 2.598 -1.417 317 3HG1 VAL 47 3HG1 VAL 47 5.143 2.335 -2.813 318 1HG2 VAL 47 1HG2 VAL 47 3.346 2.630 1.021 319 2HG2 VAL 47 2HG2 VAL 47 5.099 2.798 0.904 320 3HG2 VAL 47 3HG2 VAL 47 4.339 1.239 0.585 321 H SER 48 H SER 48 4.629 5.148 1.082 322 HA SER 48 HA SER 48 7.264 6.005 0.097 323 1HB SER 48 2HB SER 48 5.961 7.958 0.626 324 2HB SER 48 1HB SER 48 5.479 7.283 2.181 325 HG SER 48 HG SER 48 7.127 8.538 2.760 326 H GLN 49 H GLN 49 5.870 5.616 3.371 327 HA GLN 49 HA GLN 49 7.814 3.517 3.941 328 1HB GLN 49 2HB GLN 49 7.712 6.091 5.539 329 2HB GLN 49 1HB GLN 49 8.683 4.679 5.937 330 1HG GLN 49 2HG GLN 49 9.930 4.978 3.836 331 2HG GLN 49 1HG GLN 49 8.979 6.422 3.500 332 1HE2 GLN 49 1HE2 GLN 49 10.091 5.542 6.698 333 2HE2 GLN 49 2HE2 GLN 49 11.252 6.819 6.851 334 H ILE 50 H ILE 50 7.311 2.297 5.817 335 HA ILE 50 HA ILE 50 4.546 2.415 6.653 336 HB ILE 50 HB ILE 50 6.759 0.631 7.707 337 1HG1 ILE 50 2HG1 ILE 50 5.432 -1.111 6.293 338 2HG1 ILE 50 1HG1 ILE 50 4.827 0.292 5.423 339 1HG2 ILE 50 1HG2 ILE 50 4.949 -0.762 8.560 340 2HG2 ILE 50 2HG2 ILE 50 3.764 0.388 7.943 341 3HG2 ILE 50 3HG2 ILE 50 4.866 0.866 9.234 342 1HD1 ILE 50 1HD1 ILE 50 7.096 0.905 4.809 343 2HD1 ILE 50 2HD1 ILE 50 6.723 -0.741 4.296 344 3HD1 ILE 50 3HD1 ILE 50 7.723 -0.467 5.723 345 H ILE 51 H ILE 51 4.020 3.968 8.013 346 HA ILE 51 HA ILE 51 4.063 5.570 9.579 347 HB ILE 51 HB ILE 51 4.553 3.347 10.998 348 1HG1 ILE 51 2HG1 ILE 51 4.723 6.153 12.120 349 2HG1 ILE 51 1HG1 ILE 51 3.232 5.331 11.675 350 1HG2 ILE 51 1HG2 ILE 51 6.982 3.505 10.847 351 2HG2 ILE 51 2HG2 ILE 51 6.437 3.684 12.514 352 3HG2 ILE 51 3HG2 ILE 51 6.933 5.103 11.591 353 1HD1 ILE 51 1HD1 ILE 51 5.144 4.477 13.835 354 2HD1 ILE 51 2HD1 ILE 51 3.659 3.641 13.384 355 3HD1 ILE 51 3HD1 ILE 51 3.584 5.265 14.070 356 H GLU 52 H GLU 52 5.484 7.198 10.718 357 HA GLU 52 HA GLU 52 7.347 8.090 8.743 358 1HB GLU 52 2HB GLU 52 6.478 9.290 11.367 359 2HB GLU 52 1HB GLU 52 7.563 10.086 10.233 360 1HG GLU 52 2HG GLU 52 5.849 10.116 8.543 361 2HG GLU 52 1HG GLU 52 4.766 9.192 9.583 362 H ARG 53 H ARG 53 9.237 7.175 8.627 363 HA ARG 53 HA ARG 53 11.437 6.825 9.050 364 1HB ARG 53 2HB ARG 53 11.007 8.190 11.707 365 2HB ARG 53 1HB ARG 53 12.536 7.950 10.873 366 1HG ARG 53 2HG ARG 53 11.774 9.433 9.073 367 2HG ARG 53 1HG ARG 53 10.261 9.689 9.944 368 1HD ARG 53 2HD ARG 53 11.715 10.467 11.888 369 2HD ARG 53 1HD ARG 53 13.035 10.537 10.720 370 HE ARG 53 HE ARG 53 10.575 11.984 10.083 371 1HH1 ARG 53 1HH1 ARG 53 13.940 12.074 11.069 372 2HH1 ARG 53 2HH1 ARG 53 14.073 13.801 10.882 373 1HH2 ARG 53 1HH2 ARG 53 10.750 14.214 9.801 374 2HH2 ARG 53 2HH2 ARG 53 12.255 15.026 10.137 Start of MODEL 18 1 H ASP 4 H ASP 4 2.860 -1.514 17.056 2 HA ASP 4 HA ASP 4 0.444 -0.832 15.620 3 1HB ASP 4 2HB ASP 4 1.154 0.512 17.562 4 2HB ASP 4 1HB ASP 4 2.656 0.916 16.739 5 H TYR 5 H TYR 5 0.335 -0.386 13.495 6 HA TYR 5 HA TYR 5 2.872 0.015 12.059 7 1HB TYR 5 2HB TYR 5 0.477 -1.520 11.054 8 2HB TYR 5 1HB TYR 5 1.974 -1.246 10.176 9 HD1 TYR 5 HD2 TYR 5 4.117 -2.274 11.134 10 HD2 TYR 5 HD1 TYR 5 0.218 -3.376 12.427 11 HE1 TYR 5 HE2 TYR 5 5.010 -4.396 12.002 12 HE2 TYR 5 HE1 TYR 5 1.098 -5.500 13.294 13 HH TYR 5 HH TYR 5 3.032 -6.991 12.863 14 H VAL 6 H VAL 6 2.727 1.228 10.101 15 HA VAL 6 HA VAL 6 0.290 2.528 9.362 16 HB VAL 6 HB VAL 6 0.995 3.869 11.332 17 1HG1 VAL 6 1HG1 VAL 6 2.952 5.323 11.182 18 2HG1 VAL 6 2HG1 VAL 6 3.405 4.554 9.662 19 3HG1 VAL 6 3HG1 VAL 6 3.405 3.620 11.158 20 1HG2 VAL 6 1HG2 VAL 6 -0.327 4.880 9.555 21 2HG2 VAL 6 2HG2 VAL 6 1.151 5.328 8.703 22 3HG2 VAL 6 3HG2 VAL 6 0.782 6.051 10.269 23 H MET 7 H MET 7 0.446 3.506 7.330 24 HA MET 7 HA MET 7 3.065 3.420 6.008 25 1HB MET 7 2HB MET 7 1.820 1.317 5.524 26 2HB MET 7 1HB MET 7 0.518 2.275 4.837 27 1HG MET 7 2HG MET 7 3.321 2.406 3.778 28 2HG MET 7 1HG MET 7 2.173 1.183 3.246 29 1HE MET 7 1HE MET 7 -0.074 1.718 1.943 30 2HE MET 7 2HE MET 7 -0.636 3.357 1.607 31 3HE MET 7 3HE MET 7 -0.563 2.772 3.269 32 H ALA 8 H ALA 8 3.438 5.391 5.265 33 HA ALA 8 HA ALA 8 1.154 7.079 4.496 34 1HB ALA 8 1HB ALA 8 2.633 8.984 4.803 35 2HB ALA 8 2HB ALA 8 3.987 7.905 5.140 36 3HB ALA 8 3HB ALA 8 2.622 7.983 6.254 37 H THR 9 H THR 9 0.820 7.460 2.395 38 HA THR 9 HA THR 9 2.730 6.442 0.481 39 HB THR 9 HB THR 9 1.073 7.012 -1.222 40 HG1 THR 9 HG1 THR 9 -0.567 8.315 -0.832 41 1HG2 THR 9 1HG2 THR 9 -0.192 5.693 1.180 42 2HG2 THR 9 2HG2 THR 9 0.828 4.894 -0.017 43 3HG2 THR 9 3HG2 THR 9 -0.741 5.549 -0.491 44 H LYS 10 H LYS 10 3.066 7.872 -1.544 45 HA LYS 10 HA LYS 10 4.477 10.204 -0.661 46 1HB LYS 10 2HB LYS 10 5.301 8.676 -2.434 47 2HB LYS 10 1HB LYS 10 3.978 9.190 -3.468 48 1HG LYS 10 2HG LYS 10 4.933 11.196 -3.932 49 2HG LYS 10 1HG LYS 10 5.773 11.283 -2.383 50 1HD LYS 10 2HD LYS 10 7.286 10.945 -4.331 51 2HD LYS 10 1HD LYS 10 7.406 9.682 -3.107 52 1HE LYS 10 2HE LYS 10 5.850 8.303 -4.499 53 2HE LYS 10 1HE LYS 10 5.970 9.535 -5.754 54 1HZ LYS 10 1HZ LYS 10 8.302 9.131 -5.956 55 2HZ LYS 10 2HZ LYS 10 7.512 7.636 -6.057 56 3HZ LYS 10 3HZ LYS 10 8.299 8.084 -4.626 57 H ASP 11 H ASP 11 1.292 9.706 -1.239 58 HA ASP 11 HA ASP 11 0.576 12.174 -2.507 59 1HB ASP 11 2HB ASP 11 -1.089 10.439 -0.665 60 2HB ASP 11 1HB ASP 11 -1.694 11.687 -1.750 61 H GLY 12 H GLY 12 1.125 11.063 0.763 62 1HA GLY 12 2HA GLY 12 1.810 12.731 2.424 63 2HA GLY 12 1HA GLY 12 0.592 13.799 1.740 64 H ARG 13 H ARG 13 -0.818 10.897 1.626 65 HA ARG 13 HA ARG 13 -2.360 11.402 4.027 66 1HB ARG 13 2HB ARG 13 -3.849 9.623 3.184 67 2HB ARG 13 1HB ARG 13 -3.577 10.881 1.985 68 1HG ARG 13 2HG ARG 13 -1.858 9.405 0.942 69 2HG ARG 13 1HG ARG 13 -2.353 8.135 2.060 70 1HD ARG 13 2HD ARG 13 -4.153 9.505 0.063 71 2HD ARG 13 1HD ARG 13 -3.418 7.920 -0.152 72 HE ARG 13 HE ARG 13 -5.017 8.169 2.230 73 1HH1 ARG 13 1HH1 ARG 13 -5.017 7.378 -1.180 74 2HH1 ARG 13 2HH1 ARG 13 -6.475 6.439 -1.083 75 1HH2 ARG 13 1HH2 ARG 13 -6.937 6.900 2.351 76 2HH2 ARG 13 2HH2 ARG 13 -7.554 6.167 0.899 77 H MET 14 H MET 14 -2.416 10.148 5.823 78 HA MET 14 HA MET 14 -0.335 8.080 5.996 79 1HB MET 14 2HB MET 14 -0.218 10.010 7.569 80 2HB MET 14 1HB MET 14 -1.771 9.517 8.234 81 1HG MET 14 2HG MET 14 -0.809 7.403 8.950 82 2HG MET 14 1HG MET 14 0.744 7.866 8.256 83 1HE MET 14 1HE MET 14 0.872 10.966 9.016 84 2HE MET 14 2HE MET 14 2.241 9.870 9.188 85 3HE MET 14 3HE MET 14 1.756 10.899 10.539 86 H ILE 15 H ILE 15 -1.113 6.132 5.590 87 HA ILE 15 HA ILE 15 -3.892 5.497 6.259 88 HB ILE 15 HB ILE 15 -1.897 4.053 4.501 89 1HG1 ILE 15 2HG1 ILE 15 -4.348 5.676 3.776 90 2HG1 ILE 15 1HG1 ILE 15 -2.681 6.205 3.582 91 1HG2 ILE 15 1HG2 ILE 15 -4.818 3.465 4.968 92 2HG2 ILE 15 2HG2 ILE 15 -3.453 2.476 5.486 93 3HG2 ILE 15 3HG2 ILE 15 -3.792 2.680 3.768 94 1HD1 ILE 15 1HD1 ILE 15 -3.942 3.860 2.184 95 2HD1 ILE 15 2HD1 ILE 15 -2.290 4.438 1.964 96 3HD1 ILE 15 3HD1 ILE 15 -3.653 5.449 1.479 97 H LEU 16 H LEU 16 -4.447 3.977 7.719 98 HA LEU 16 HA LEU 16 -2.356 2.765 9.327 99 1HB LEU 16 2HB LEU 16 -5.370 2.701 9.532 100 2HB LEU 16 1HB LEU 16 -4.318 1.794 10.600 101 HG LEU 16 HG LEU 16 -4.945 3.728 11.792 102 1HD1 LEU 16 1HD1 LEU 16 -2.212 4.251 10.631 103 2HD1 LEU 16 2HD1 LEU 16 -2.576 3.169 11.975 104 3HD1 LEU 16 3HD1 LEU 16 -2.841 4.905 12.143 105 1HD2 LEU 16 1HD2 LEU 16 -4.676 6.010 10.922 106 2HD2 LEU 16 2HD2 LEU 16 -5.815 5.062 9.965 107 3HD2 LEU 16 3HD2 LEU 16 -4.181 5.344 9.365 108 H THR 17 H THR 17 -1.534 0.839 8.898 109 HA THR 17 HA THR 17 -3.014 -0.920 7.048 110 HB THR 17 HB THR 17 -0.662 -1.649 6.307 111 HG1 THR 17 HG1 THR 17 0.255 -0.382 8.177 112 1HG2 THR 17 1HG2 THR 17 -1.531 1.180 5.686 113 2HG2 THR 17 2HG2 THR 17 -2.167 -0.269 4.913 114 3HG2 THR 17 3HG2 THR 17 -0.474 0.174 4.697 115 H ASP 18 H ASP 18 -3.130 -3.063 7.550 116 HA ASP 18 HA ASP 18 -1.932 -4.208 9.849 117 1HB ASP 18 2HB ASP 18 -3.778 -5.351 8.734 118 2HB ASP 18 1HB ASP 18 -2.848 -5.473 7.247 119 H GLY 19 H GLY 19 0.205 -4.409 10.165 120 1HA GLY 19 2HA GLY 19 1.904 -3.236 8.241 121 2HA GLY 19 1HA GLY 19 2.435 -4.012 9.726 122 H LYS 20 H LYS 20 3.768 -4.119 7.104 123 HA LYS 20 HA LYS 20 4.999 -5.793 6.151 124 1HB LYS 20 2HB LYS 20 3.312 -7.634 7.832 125 2HB LYS 20 1HB LYS 20 4.453 -8.236 6.638 126 1HG LYS 20 2HG LYS 20 6.287 -7.150 7.806 127 2HG LYS 20 1HG LYS 20 5.159 -6.462 8.977 128 1HD LYS 20 2HD LYS 20 4.634 -8.612 9.852 129 2HD LYS 20 1HD LYS 20 5.452 -9.428 8.519 130 1HE LYS 20 2HE LYS 20 6.849 -9.565 10.463 131 2HE LYS 20 1HE LYS 20 7.600 -8.459 9.318 132 1HZ LYS 20 1HZ LYS 20 7.763 -7.527 11.482 133 2HZ LYS 20 2HZ LYS 20 6.114 -7.744 11.786 134 3HZ LYS 20 3HZ LYS 20 6.615 -6.613 10.636 135 HA PRO 21 HA PRO 21 1.560 -5.992 3.146 136 1HB PRO 21 2HB PRO 21 2.314 -4.035 1.501 137 2HB PRO 21 1HB PRO 21 1.537 -3.678 3.046 138 1HG PRO 21 2HG PRO 21 4.404 -3.467 2.277 139 2HG PRO 21 1HG PRO 21 3.456 -2.450 3.372 140 1HD PRO 21 2HD PRO 21 5.192 -4.531 4.113 141 2HD PRO 21 1HD PRO 21 4.007 -3.724 5.156 142 H GLU 22 H GLU 22 1.549 -6.575 0.886 143 HA GLU 22 HA GLU 22 4.002 -8.000 0.135 144 1HB GLU 22 2HB GLU 22 1.143 -8.313 -0.802 145 2HB GLU 22 1HB GLU 22 2.497 -9.256 -1.410 146 1HG GLU 22 2HG GLU 22 1.648 -9.207 1.475 147 2HG GLU 22 1HG GLU 22 1.085 -10.398 0.304 148 H ILE 23 H ILE 23 5.212 -6.437 -0.905 149 HA ILE 23 HA ILE 23 4.013 -4.962 -3.095 150 HB ILE 23 HB ILE 23 6.931 -5.122 -2.323 151 1HG1 ILE 23 2HG1 ILE 23 4.724 -3.243 -1.521 152 2HG1 ILE 23 1HG1 ILE 23 5.890 -4.073 -0.500 153 1HG2 ILE 23 1HG2 ILE 23 6.620 -4.500 -4.647 154 2HG2 ILE 23 2HG2 ILE 23 7.166 -3.106 -3.712 155 3HG2 ILE 23 3HG2 ILE 23 5.471 -3.246 -4.180 156 1HD1 ILE 23 1HD1 ILE 23 6.531 -1.826 -2.400 157 2HD1 ILE 23 2HD1 ILE 23 7.669 -2.640 -1.323 158 3HD1 ILE 23 3HD1 ILE 23 6.351 -1.678 -0.650 159 H ASP 24 H ASP 24 3.407 -6.417 -4.647 160 HA ASP 24 HA ASP 24 5.343 -8.329 -5.642 161 1HB ASP 24 2HB ASP 24 2.905 -8.867 -5.632 162 2HB ASP 24 1HB ASP 24 2.648 -7.576 -6.801 163 H ASP 25 H ASP 25 7.031 -7.338 -6.571 164 HA ASP 25 HA ASP 25 6.740 -4.839 -7.958 165 1HB ASP 25 2HB ASP 25 8.784 -5.850 -6.599 166 2HB ASP 25 1HB ASP 25 9.221 -6.500 -8.175 167 H ASP 26 H ASP 26 6.312 -8.049 -8.780 168 HA ASP 26 HA ASP 26 7.201 -8.083 -11.467 169 1HB ASP 26 2HB ASP 26 6.750 -10.142 -10.224 170 2HB ASP 26 1HB ASP 26 5.048 -9.713 -10.099 171 H THR 27 H THR 27 3.929 -7.671 -10.069 172 HA THR 27 HA THR 27 2.991 -6.535 -12.581 173 HB THR 27 HB THR 27 1.425 -7.946 -11.362 174 HG1 THR 27 HG1 THR 27 0.915 -5.455 -12.160 175 1HG2 THR 27 1HG2 THR 27 1.600 -5.908 -9.147 176 2HG2 THR 27 2HG2 THR 27 2.215 -7.559 -9.083 177 3HG2 THR 27 3HG2 THR 27 0.480 -7.269 -9.208 178 H GLY 28 H GLY 28 4.266 -5.484 -9.563 179 1HA GLY 28 2HA GLY 28 5.058 -3.340 -9.092 180 2HA GLY 28 1HA GLY 28 4.153 -2.721 -10.466 181 H LEU 29 H LEU 29 2.603 -4.776 -8.139 182 HA LEU 29 HA LEU 29 1.103 -2.429 -7.171 183 1HB LEU 29 2HB LEU 29 0.026 -5.238 -7.381 184 2HB LEU 29 1HB LEU 29 -0.871 -3.780 -7.006 185 HG LEU 29 HG LEU 29 0.306 -4.568 -9.668 186 1HD1 LEU 29 1HD1 LEU 29 -1.775 -5.673 -9.147 187 2HD1 LEU 29 2HD1 LEU 29 -2.035 -4.462 -10.403 188 3HD1 LEU 29 3HD1 LEU 29 -2.525 -4.128 -8.742 189 1HD2 LEU 29 1HD2 LEU 29 -0.546 -2.500 -10.571 190 2HD2 LEU 29 2HD2 LEU 29 0.609 -2.154 -9.284 191 3HD2 LEU 29 3HD2 LEU 29 -1.122 -2.003 -8.979 192 H VAL 30 H VAL 30 0.621 -2.300 -5.015 193 HA VAL 30 HA VAL 30 2.125 -4.149 -3.288 194 HB VAL 30 HB VAL 30 1.256 -1.312 -2.723 195 1HG1 VAL 30 1HG1 VAL 30 2.786 -1.512 -0.776 196 2HG1 VAL 30 2HG1 VAL 30 2.961 -3.229 -1.136 197 3HG1 VAL 30 3HG1 VAL 30 1.387 -2.582 -0.677 198 1HG2 VAL 30 1HG2 VAL 30 2.980 -1.414 -4.438 199 2HG2 VAL 30 2HG2 VAL 30 3.976 -2.421 -3.386 200 3HG2 VAL 30 3HG2 VAL 30 3.621 -0.756 -2.935 201 H SER 31 H SER 31 0.789 -5.645 -2.511 202 HA SER 31 HA SER 31 -1.986 -5.068 -1.955 203 1HB SER 31 2HB SER 31 -0.408 -7.565 -1.333 204 2HB SER 31 1HB SER 31 -2.159 -7.419 -1.409 205 HG SER 31 HG SER 31 -1.360 -6.569 -3.717 206 H TYR 32 H TYR 32 -2.668 -4.238 -0.104 207 HA TYR 32 HA TYR 32 -1.127 -4.766 2.344 208 1HB TYR 32 2HB TYR 32 -1.360 -2.496 3.073 209 2HB TYR 32 1HB TYR 32 -0.685 -2.460 1.449 210 HD1 TYR 32 HD1 TYR 32 -2.548 -2.250 -0.473 211 HD2 TYR 32 HD2 TYR 32 -3.055 -1.022 3.563 212 HE1 TYR 32 HE1 TYR 32 -4.326 -0.700 -1.176 213 HE2 TYR 32 HE2 TYR 32 -4.829 0.537 2.875 214 HH TYR 32 HH TYR 32 -6.166 0.526 -0.334 215 H HIS 33 H HIS 33 -2.375 -4.691 4.291 216 HA HIS 33 HA HIS 33 -5.211 -5.254 3.788 217 1HB HIS 33 2HB HIS 33 -3.431 -6.048 6.101 218 2HB HIS 33 1HB HIS 33 -5.159 -6.374 6.017 219 HD1 HIS 33 HD1 HIS 33 -1.863 -7.576 4.795 220 HD2 HIS 33 HD2 HIS 33 -5.899 -8.349 4.113 221 HE1 HIS 33 HE1 HIS 33 -1.940 -9.755 3.528 222 HE2 HIS 33 HE2 HIS 33 -4.397 -10.262 3.240 223 H ASP 34 H ASP 34 -6.768 -4.107 4.718 224 HA ASP 34 HA ASP 34 -6.220 -1.565 5.858 225 1HB ASP 34 2HB ASP 34 -8.551 -3.066 5.015 226 2HB ASP 34 1HB ASP 34 -8.851 -2.267 6.553 227 H GLN 35 H GLN 35 -7.020 -0.852 7.994 228 HA GLN 35 HA GLN 35 -6.325 -2.674 10.101 229 1HB GLN 35 2HB GLN 35 -6.067 -0.142 10.155 230 2HB GLN 35 1HB GLN 35 -7.806 -0.052 10.386 231 1HG GLN 35 2HG GLN 35 -6.708 0.143 12.505 232 2HG GLN 35 1HG GLN 35 -7.579 -1.387 12.439 233 1HE2 GLN 35 1HE2 GLN 35 -5.333 -0.576 14.110 234 2HE2 GLN 35 2HE2 GLN 35 -4.076 -1.727 13.812 235 H GLN 36 H GLN 36 -9.054 -2.070 8.240 236 HA GLN 36 HA GLN 36 -11.007 -3.083 10.114 237 1HB GLN 36 2HB GLN 36 -11.557 -1.395 8.363 238 2HB GLN 36 1HB GLN 36 -11.237 -2.608 7.131 239 1HG GLN 36 2HG GLN 36 -13.606 -2.406 7.482 240 2HG GLN 36 1HG GLN 36 -13.061 -3.985 8.044 241 1HE2 GLN 36 1HE2 GLN 36 -14.247 -0.855 8.978 242 2HE2 GLN 36 2HE2 GLN 36 -14.647 -1.266 10.614 243 H GLY 37 H GLY 37 -8.762 -4.351 7.862 244 1HA GLY 37 2HA GLY 37 -8.280 -6.719 7.925 245 2HA GLY 37 1HA GLY 37 -10.000 -7.009 8.134 246 H ASN 38 H ASN 38 -9.503 -4.594 5.866 247 HA ASN 38 HA ASN 38 -10.403 -6.259 3.715 248 1HB ASN 38 2HB ASN 38 -9.465 -3.378 3.729 249 2HB ASN 38 1HB ASN 38 -10.208 -4.185 2.352 250 1HD2 ASN 38 1HD2 ASN 38 -10.988 -1.853 4.025 251 2HD2 ASN 38 2HD2 ASN 38 -12.616 -2.196 4.526 252 H ALA 39 H ALA 39 -9.308 -6.695 1.747 253 HA ALA 39 HA ALA 39 -6.369 -6.480 1.916 254 1HB ALA 39 1HB ALA 39 -7.974 -8.568 0.442 255 2HB ALA 39 2HB ALA 39 -7.204 -8.802 2.011 256 3HB ALA 39 3HB ALA 39 -6.216 -8.496 0.582 257 H MET 40 H MET 40 -5.877 -4.720 0.752 258 HA MET 40 HA MET 40 -7.083 -4.471 -1.924 259 1HB MET 40 2HB MET 40 -6.476 -2.282 0.070 260 2HB MET 40 1HB MET 40 -6.868 -1.983 -1.620 261 1HG MET 40 2HG MET 40 -9.030 -3.040 -1.316 262 2HG MET 40 1HG MET 40 -8.647 -3.374 0.371 263 1HE MET 40 1HE MET 40 -8.325 -1.510 2.197 264 2HE MET 40 2HE MET 40 -8.481 0.219 1.888 265 3HE MET 40 3HE MET 40 -7.128 -0.680 1.204 266 H GLN 41 H GLN 41 -5.706 -2.778 -3.227 267 HA GLN 41 HA GLN 41 -2.852 -3.319 -2.808 268 1HB GLN 41 2HB GLN 41 -4.407 -3.879 -5.344 269 2HB GLN 41 1HB GLN 41 -2.653 -3.889 -5.233 270 1HG GLN 41 2HG GLN 41 -2.669 -5.756 -3.777 271 2HG GLN 41 1HG GLN 41 -4.417 -5.656 -3.567 272 1HE2 GLN 41 1HE2 GLN 41 -5.761 -6.421 -5.152 273 2HE2 GLN 41 2HE2 GLN 41 -5.201 -7.429 -6.446 274 H ILE 42 H ILE 42 -1.680 -1.517 -3.103 275 HA ILE 42 HA ILE 42 -2.812 0.612 -4.803 276 HB ILE 42 HB ILE 42 -1.392 2.226 -3.715 277 1HG1 ILE 42 2HG1 ILE 42 -0.444 0.194 -1.716 278 2HG1 ILE 42 1HG1 ILE 42 0.436 0.432 -3.226 279 1HG2 ILE 42 1HG2 ILE 42 -2.334 2.189 -1.447 280 2HG2 ILE 42 2HG2 ILE 42 -2.866 0.528 -1.718 281 3HG2 ILE 42 3HG2 ILE 42 -3.532 1.839 -2.692 282 1HD1 ILE 42 1HD1 ILE 42 -0.198 2.602 -1.250 283 2HD1 ILE 42 2HD1 ILE 42 0.789 2.745 -2.708 284 3HD1 ILE 42 3HD1 ILE 42 1.339 1.745 -1.360 285 H ASN 43 H ASN 43 -0.709 2.025 -5.573 286 HA ASN 43 HA ASN 43 0.639 0.119 -7.304 287 1HB ASN 43 2HB ASN 43 -0.543 2.278 -8.068 288 2HB ASN 43 1HB ASN 43 0.889 3.107 -7.477 289 1HD2 ASN 43 1HD2 ASN 43 1.246 3.792 -9.642 290 2HD2 ASN 43 2HD2 ASN 43 1.963 2.725 -10.801 291 H ARG 44 H ARG 44 2.862 0.105 -7.625 292 HA ARG 44 HA ARG 44 4.404 -0.119 -5.349 293 1HB ARG 44 2HB ARG 44 4.938 -1.276 -7.358 294 2HB ARG 44 1HB ARG 44 5.126 0.221 -8.252 295 1HG ARG 44 2HG ARG 44 7.128 0.730 -6.891 296 2HG ARG 44 1HG ARG 44 6.958 -0.852 -6.118 297 1HD ARG 44 2HD ARG 44 7.122 -1.937 -8.285 298 2HD ARG 44 1HD ARG 44 7.277 -0.373 -9.078 299 HE ARG 44 HE ARG 44 9.313 -1.855 -7.674 300 1HH1 ARG 44 1HH1 ARG 44 8.350 1.349 -8.786 301 2HH1 ARG 44 2HH1 ARG 44 9.984 1.899 -8.964 302 1HH2 ARG 44 1HH2 ARG 44 11.444 -1.127 -7.954 303 2HH2 ARG 44 2HH2 ARG 44 11.746 0.486 -8.531 304 H ASP 45 H ASP 45 4.502 2.580 -7.707 305 HA ASP 45 HA ASP 45 6.573 3.846 -6.130 306 1HB ASP 45 2HB ASP 45 5.283 4.520 -8.757 307 2HB ASP 45 1HB ASP 45 6.357 5.654 -7.943 308 H ASP 46 H ASP 46 3.390 3.700 -5.649 309 HA ASP 46 HA ASP 46 3.013 6.484 -4.902 310 1HB ASP 46 2HB ASP 46 1.259 4.043 -4.767 311 2HB ASP 46 1HB ASP 46 0.840 5.502 -3.875 312 H VAL 47 H VAL 47 4.199 3.598 -3.565 313 HA VAL 47 HA VAL 47 3.691 4.127 -0.803 314 HB VAL 47 HB VAL 47 5.978 2.453 -1.832 315 1HG1 VAL 47 1HG1 VAL 47 4.155 2.141 0.539 316 2HG1 VAL 47 2HG1 VAL 47 5.806 2.765 0.577 317 3HG1 VAL 47 3HG1 VAL 47 5.504 1.089 0.115 318 1HG2 VAL 47 1HG2 VAL 47 4.481 0.559 -2.048 319 2HG2 VAL 47 2HG2 VAL 47 4.004 1.852 -3.149 320 3HG2 VAL 47 3HG2 VAL 47 3.102 1.582 -1.660 321 H SER 48 H SER 48 5.155 4.995 0.757 322 HA SER 48 HA SER 48 7.605 6.186 -0.268 323 1HB SER 48 2HB SER 48 5.848 7.868 -0.672 324 2HB SER 48 1HB SER 48 5.442 7.842 1.043 325 HG SER 48 HG SER 48 8.066 8.417 0.151 326 H GLN 49 H GLN 49 5.625 6.650 2.683 327 HA GLN 49 HA GLN 49 8.145 6.437 4.167 328 1HB GLN 49 2HB GLN 49 5.560 7.844 4.806 329 2HB GLN 49 1HB GLN 49 6.905 7.715 5.934 330 1HG GLN 49 2HG GLN 49 8.322 8.987 4.503 331 2HG GLN 49 1HG GLN 49 7.137 8.942 3.199 332 1HE2 GLN 49 1HE2 GLN 49 5.364 10.288 3.277 333 2HE2 GLN 49 2HE2 GLN 49 5.253 11.622 4.377 334 H ILE 50 H ILE 50 8.446 4.490 4.928 335 HA ILE 50 HA ILE 50 6.496 3.435 6.831 336 HB ILE 50 HB ILE 50 7.050 1.092 6.045 337 1HG1 ILE 50 2HG1 ILE 50 7.967 2.596 3.587 338 2HG1 ILE 50 1HG1 ILE 50 8.974 1.607 4.637 339 1HG2 ILE 50 1HG2 ILE 50 5.343 1.101 4.283 340 2HG2 ILE 50 2HG2 ILE 50 5.447 2.860 4.208 341 3HG2 ILE 50 3HG2 ILE 50 4.871 2.073 5.678 342 1HD1 ILE 50 1HD1 ILE 50 7.666 -0.366 3.991 343 2HD1 ILE 50 2HD1 ILE 50 8.441 0.413 2.611 344 3HD1 ILE 50 3HD1 ILE 50 6.715 0.643 2.901 345 H ILE 51 H ILE 51 7.757 1.305 7.800 346 HA ILE 51 HA ILE 51 10.142 2.451 8.982 347 HB ILE 51 HB ILE 51 8.369 1.324 10.346 348 1HG1 ILE 51 2HG1 ILE 51 11.111 0.060 10.551 349 2HG1 ILE 51 1HG1 ILE 51 10.674 1.638 11.194 350 1HG2 ILE 51 1HG2 ILE 51 9.454 -1.191 9.089 351 2HG2 ILE 51 2HG2 ILE 51 7.850 -0.505 8.834 352 3HG2 ILE 51 3HG2 ILE 51 8.303 -1.118 10.424 353 1HD1 ILE 51 1HD1 ILE 51 9.067 0.573 12.698 354 2HD1 ILE 51 2HD1 ILE 51 10.703 -0.039 12.943 355 3HD1 ILE 51 3HD1 ILE 51 9.521 -1.006 12.058 356 H GLU 52 H GLU 52 9.585 0.824 6.250 357 HA GLU 52 HA GLU 52 10.836 -0.297 4.733 358 1HB GLU 52 2HB GLU 52 13.138 0.168 6.638 359 2HB GLU 52 1HB GLU 52 13.273 -0.360 4.966 360 1HG GLU 52 2HG GLU 52 12.230 1.773 4.257 361 2HG GLU 52 1HG GLU 52 12.251 2.296 5.940 362 H ARG 53 H ARG 53 12.917 -2.155 5.024 363 HA ARG 53 HA ARG 53 11.818 -4.131 6.883 364 1HB ARG 53 2HB ARG 53 12.026 -5.870 5.064 365 2HB ARG 53 1HB ARG 53 10.710 -4.719 4.877 366 1HG ARG 53 2HG ARG 53 11.891 -3.525 3.185 367 2HG ARG 53 1HG ARG 53 13.364 -4.455 3.484 368 1HD ARG 53 2HD ARG 53 12.253 -6.481 2.725 369 2HD ARG 53 1HD ARG 53 10.756 -5.584 2.473 370 HE ARG 53 HE ARG 53 11.987 -4.306 0.737 371 1HH1 ARG 53 1HH1 ARG 53 13.254 -7.412 1.738 372 2HH1 ARG 53 2HH1 ARG 53 13.984 -7.757 0.202 373 1HH2 ARG 53 1HH2 ARG 53 12.940 -4.750 -1.278 374 2HH2 ARG 53 2HH2 ARG 53 13.788 -6.246 -1.528 Start of MODEL 19 1 H ASP 4 H ASP 4 -0.788 -1.779 14.076 2 HA ASP 4 HA ASP 4 -0.783 0.242 13.042 3 1HB ASP 4 2HB ASP 4 0.081 1.130 15.794 4 2HB ASP 4 1HB ASP 4 -0.253 2.255 14.486 5 H TYR 5 H TYR 5 1.210 -0.897 11.935 6 HA TYR 5 HA TYR 5 3.711 0.408 12.299 7 1HB TYR 5 2HB TYR 5 2.529 -1.357 10.232 8 2HB TYR 5 1HB TYR 5 3.816 -0.289 9.685 9 HD1 TYR 5 HD1 TYR 5 5.281 -0.385 12.470 10 HD2 TYR 5 HD2 TYR 5 3.804 -3.355 9.810 11 HE1 TYR 5 HE1 TYR 5 6.977 -1.967 13.294 12 HE2 TYR 5 HE2 TYR 5 5.485 -4.942 10.632 13 HH TYR 5 HH TYR 5 7.136 -4.621 13.398 14 H VAL 6 H VAL 6 0.904 0.964 10.248 15 HA VAL 6 HA VAL 6 0.027 2.869 9.373 16 HB VAL 6 HB VAL 6 2.266 4.272 10.834 17 1HG1 VAL 6 1HG1 VAL 6 -0.184 5.424 9.505 18 2HG1 VAL 6 2HG1 VAL 6 1.486 5.627 8.973 19 3HG1 VAL 6 3HG1 VAL 6 0.957 6.318 10.508 20 1HG2 VAL 6 1HG2 VAL 6 0.524 4.882 12.443 21 2HG2 VAL 6 2HG2 VAL 6 0.714 3.133 12.329 22 3HG2 VAL 6 3HG2 VAL 6 -0.649 3.926 11.537 23 H MET 7 H MET 7 0.139 3.068 7.258 24 HA MET 7 HA MET 7 2.774 3.230 5.989 25 1HB MET 7 2HB MET 7 1.317 1.433 5.183 26 2HB MET 7 1HB MET 7 0.065 2.604 4.792 27 1HG MET 7 2HG MET 7 1.487 3.608 3.109 28 2HG MET 7 1HG MET 7 2.802 2.515 3.534 29 1HE MET 7 1HE MET 7 -1.160 1.165 1.595 30 2HE MET 7 2HE MET 7 -0.756 2.848 1.932 31 3HE MET 7 3HE MET 7 -1.035 1.727 3.264 32 H ALA 8 H ALA 8 3.416 5.274 5.842 33 HA ALA 8 HA ALA 8 1.529 7.343 5.014 34 1HB ALA 8 1HB ALA 8 4.451 7.570 5.749 35 2HB ALA 8 2HB ALA 8 3.100 7.844 6.848 36 3HB ALA 8 3HB ALA 8 3.342 8.911 5.465 37 H THR 9 H THR 9 1.183 7.504 2.891 38 HA THR 9 HA THR 9 3.200 6.532 1.047 39 HB THR 9 HB THR 9 1.449 7.032 -0.692 40 HG1 THR 9 HG1 THR 9 -0.398 7.919 -0.097 41 1HG2 THR 9 1HG2 THR 9 0.040 5.115 -0.090 42 2HG2 THR 9 2HG2 THR 9 0.665 5.178 1.557 43 3HG2 THR 9 3HG2 THR 9 1.745 4.784 0.221 44 H LYS 10 H LYS 10 3.556 7.812 -0.966 45 HA LYS 10 HA LYS 10 4.637 10.350 -0.119 46 1HB LYS 10 2HB LYS 10 5.889 8.627 -1.445 47 2HB LYS 10 1HB LYS 10 4.838 8.981 -2.805 48 1HG LYS 10 2HG LYS 10 5.769 11.066 -3.154 49 2HG LYS 10 1HG LYS 10 6.405 11.168 -1.509 50 1HD LYS 10 2HD LYS 10 8.184 10.775 -3.163 51 2HD LYS 10 1HD LYS 10 8.047 9.447 -2.011 52 1HE LYS 10 2HE LYS 10 6.689 8.210 -3.679 53 2HE LYS 10 1HE LYS 10 6.986 9.510 -4.834 54 1HZ LYS 10 1HZ LYS 10 8.544 7.776 -5.233 55 2HZ LYS 10 2HZ LYS 10 9.006 7.712 -3.602 56 3HZ LYS 10 3HZ LYS 10 9.395 9.072 -4.546 57 H ASP 11 H ASP 11 1.694 9.447 -1.286 58 HA ASP 11 HA ASP 11 1.276 11.811 -2.926 59 1HB ASP 11 2HB ASP 11 -0.900 10.993 -3.388 60 2HB ASP 11 1HB ASP 11 0.137 9.576 -3.383 61 H GLY 12 H GLY 12 1.096 10.895 0.352 62 1HA GLY 12 2HA GLY 12 1.098 12.867 1.841 63 2HA GLY 12 1HA GLY 12 -0.297 13.433 0.936 64 H ARG 13 H ARG 13 -1.397 10.624 0.856 65 HA ARG 13 HA ARG 13 -2.907 10.905 3.275 66 1HB ARG 13 2HB ARG 13 -4.156 8.922 2.511 67 2HB ARG 13 1HB ARG 13 -4.049 10.163 1.274 68 1HG ARG 13 2HG ARG 13 -2.325 8.915 0.129 69 2HG ARG 13 1HG ARG 13 -2.334 7.689 1.386 70 1HD ARG 13 2HD ARG 13 -4.557 8.370 -0.531 71 2HD ARG 13 1HD ARG 13 -3.613 6.883 -0.476 72 HE ARG 13 HE ARG 13 -5.036 7.418 1.964 73 1HH1 ARG 13 1HH1 ARG 13 -5.299 5.981 -1.238 74 2HH1 ARG 13 2HH1 ARG 13 -6.639 4.958 -0.797 75 1HH2 ARG 13 1HH2 ARG 13 -6.778 6.106 2.525 76 2HH2 ARG 13 2HH2 ARG 13 -7.489 5.035 1.353 77 H MET 14 H MET 14 -3.093 9.452 4.981 78 HA MET 14 HA MET 14 -0.796 7.637 5.312 79 1HB MET 14 2HB MET 14 -0.636 9.705 6.687 80 2HB MET 14 1HB MET 14 -2.161 9.282 7.451 81 1HG MET 14 2HG MET 14 -1.174 7.280 8.381 82 2HG MET 14 1HG MET 14 0.347 7.631 7.560 83 1HE MET 14 1HE MET 14 1.925 9.690 8.170 84 2HE MET 14 2HE MET 14 1.499 10.915 9.365 85 3HE MET 14 3HE MET 14 0.567 10.775 7.875 86 H ILE 15 H ILE 15 -1.445 5.595 5.378 87 HA ILE 15 HA ILE 15 -4.244 5.050 6.082 88 HB ILE 15 HB ILE 15 -2.294 3.316 4.555 89 1HG1 ILE 15 2HG1 ILE 15 -4.628 4.983 3.581 90 2HG1 ILE 15 1HG1 ILE 15 -2.927 5.352 3.320 91 1HG2 ILE 15 1HG2 ILE 15 -3.975 2.010 5.739 92 2HG2 ILE 15 2HG2 ILE 15 -4.264 1.968 4.000 93 3HG2 ILE 15 3HG2 ILE 15 -5.255 2.997 5.034 94 1HD1 ILE 15 1HD1 ILE 15 -4.387 2.941 2.261 95 2HD1 ILE 15 2HD1 ILE 15 -2.690 3.330 1.979 96 3HD1 ILE 15 3HD1 ILE 15 -3.954 4.381 1.340 97 H LEU 16 H LEU 16 -4.775 3.758 7.751 98 HA LEU 16 HA LEU 16 -2.722 3.034 9.618 99 1HB LEU 16 2HB LEU 16 -5.707 2.622 9.639 100 2HB LEU 16 1HB LEU 16 -4.657 2.067 10.925 101 HG LEU 16 HG LEU 16 -5.579 4.077 11.698 102 1HD1 LEU 16 1HD1 LEU 16 -3.190 3.916 12.086 103 2HD1 LEU 16 2HD1 LEU 16 -3.681 5.598 11.876 104 3HD1 LEU 16 3HD1 LEU 16 -2.872 4.743 10.560 105 1HD2 LEU 16 1HD2 LEU 16 -6.505 4.894 9.620 106 2HD2 LEU 16 2HD2 LEU 16 -4.894 5.303 9.034 107 3HD2 LEU 16 3HD2 LEU 16 -5.577 6.167 10.412 108 H THR 17 H THR 17 -1.524 1.535 8.413 109 HA THR 17 HA THR 17 -2.771 -1.092 8.040 110 HB THR 17 HB THR 17 -0.519 -1.638 6.980 111 HG1 THR 17 HG1 THR 17 0.970 -0.142 7.060 112 1HG2 THR 17 1HG2 THR 17 -2.502 -1.139 5.628 113 2HG2 THR 17 2HG2 THR 17 -1.046 -0.490 4.873 114 3HG2 THR 17 3HG2 THR 17 -2.148 0.585 5.732 115 H ASP 18 H ASP 18 -2.463 -2.625 9.598 116 HA ASP 18 HA ASP 18 -0.893 -2.116 11.882 117 1HB ASP 18 2HB ASP 18 -2.316 -4.519 10.845 118 2HB ASP 18 1HB ASP 18 -1.105 -4.753 12.106 119 H GLY 19 H GLY 19 -0.209 -3.809 8.876 120 1HA GLY 19 2HA GLY 19 2.199 -2.684 8.528 121 2HA GLY 19 1HA GLY 19 2.596 -4.018 9.601 122 H LYS 20 H LYS 20 3.875 -4.093 7.229 123 HA LYS 20 HA LYS 20 4.412 -5.835 5.917 124 1HB LYS 20 2HB LYS 20 2.093 -7.140 7.283 125 2HB LYS 20 1HB LYS 20 2.993 -7.952 6.003 126 1HG LYS 20 2HG LYS 20 5.076 -7.346 7.395 127 2HG LYS 20 1HG LYS 20 3.929 -7.083 8.709 128 1HD LYS 20 2HD LYS 20 3.173 -9.349 8.592 129 2HD LYS 20 1HD LYS 20 4.101 -9.637 7.119 130 1HE LYS 20 2HE LYS 20 6.178 -9.218 8.396 131 2HE LYS 20 1HE LYS 20 5.209 -9.049 9.860 132 1HZ LYS 20 1HZ LYS 20 6.135 -11.264 9.682 133 2HZ LYS 20 2HZ LYS 20 5.397 -11.485 8.172 134 3HZ LYS 20 3HZ LYS 20 4.444 -11.327 9.565 135 HA PRO 21 HA PRO 21 1.650 -4.836 2.502 136 1HB PRO 21 2HB PRO 21 3.246 -2.897 1.389 137 2HB PRO 21 1HB PRO 21 1.935 -2.565 2.520 138 1HG PRO 21 2HG PRO 21 4.770 -2.252 2.918 139 2HG PRO 21 1HG PRO 21 3.450 -1.829 4.020 140 1HD PRO 21 2HD PRO 21 5.187 -4.205 4.000 141 2HD PRO 21 1HD PRO 21 4.210 -3.535 5.322 142 H GLU 22 H GLU 22 1.945 -6.453 1.106 143 HA GLU 22 HA GLU 22 4.594 -7.400 0.453 144 1HB GLU 22 2HB GLU 22 2.084 -8.571 0.605 145 2HB GLU 22 1HB GLU 22 2.389 -8.498 -1.124 146 1HG GLU 22 2HG GLU 22 4.216 -9.749 0.918 147 2HG GLU 22 1HG GLU 22 3.099 -10.621 -0.126 148 H ILE 23 H ILE 23 5.703 -6.099 -0.867 149 HA ILE 23 HA ILE 23 4.489 -4.522 -2.906 150 HB ILE 23 HB ILE 23 7.414 -5.224 -2.626 151 1HG1 ILE 23 2HG1 ILE 23 5.852 -2.919 -1.433 152 2HG1 ILE 23 1HG1 ILE 23 6.549 -4.264 -0.540 153 1HG2 ILE 23 1HG2 ILE 23 6.029 -2.919 -3.995 154 2HG2 ILE 23 2HG2 ILE 23 6.819 -4.278 -4.791 155 3HG2 ILE 23 3HG2 ILE 23 7.773 -3.131 -3.851 156 1HD1 ILE 23 1HD1 ILE 23 7.933 -2.309 -0.310 157 2HD1 ILE 23 2HD1 ILE 23 8.059 -2.157 -2.061 158 3HD1 ILE 23 3HD1 ILE 23 8.789 -3.538 -1.245 159 H ASP 24 H ASP 24 3.587 -5.447 -4.614 160 HA ASP 24 HA ASP 24 4.335 -8.038 -5.563 161 1HB ASP 24 2HB ASP 24 1.986 -7.034 -5.660 162 2HB ASP 24 1HB ASP 24 2.572 -6.036 -6.982 163 H ASP 25 H ASP 25 5.761 -8.544 -7.139 164 HA ASP 25 HA ASP 25 7.082 -6.291 -8.471 165 1HB ASP 25 2HB ASP 25 8.987 -7.776 -8.821 166 2HB ASP 25 1HB ASP 25 8.547 -7.706 -7.119 167 H ASP 26 H ASP 26 4.614 -8.188 -9.229 168 HA ASP 26 HA ASP 26 5.463 -8.623 -12.030 169 1HB ASP 26 2HB ASP 26 4.246 -10.479 -10.702 170 2HB ASP 26 1HB ASP 26 2.838 -9.455 -10.788 171 H THR 27 H THR 27 3.090 -7.231 -9.933 172 HA THR 27 HA THR 27 1.548 -6.205 -12.170 173 HB THR 27 HB THR 27 0.586 -5.885 -9.387 174 HG1 THR 27 HG1 THR 27 1.679 -7.975 -9.355 175 1HG2 THR 27 1HG2 THR 27 -1.439 -6.716 -10.346 176 2HG2 THR 27 2HG2 THR 27 -0.578 -7.201 -11.809 177 3HG2 THR 27 3HG2 THR 27 -0.767 -5.487 -11.422 178 H GLY 28 H GLY 28 3.828 -5.077 -9.923 179 1HA GLY 28 2HA GLY 28 4.699 -2.956 -9.642 180 2HA GLY 28 1HA GLY 28 3.521 -2.367 -10.809 181 H LEU 29 H LEU 29 2.411 -4.226 -8.146 182 HA LEU 29 HA LEU 29 1.300 -1.784 -6.960 183 1HB LEU 29 2HB LEU 29 0.032 -4.517 -7.133 184 2HB LEU 29 1HB LEU 29 -0.664 -3.130 -6.318 185 HG LEU 29 HG LEU 29 -0.144 -3.354 -9.285 186 1HD1 LEU 29 1HD1 LEU 29 -2.727 -3.348 -7.728 187 2HD1 LEU 29 2HD1 LEU 29 -1.999 -4.747 -8.516 188 3HD1 LEU 29 3HD1 LEU 29 -2.572 -3.390 -9.484 189 1HD2 LEU 29 1HD2 LEU 29 -1.340 -1.230 -9.453 190 2HD2 LEU 29 2HD2 LEU 29 0.124 -1.062 -8.483 191 3HD2 LEU 29 3HD2 LEU 29 -1.452 -1.149 -7.694 192 H VAL 30 H VAL 30 0.432 -2.357 -4.637 193 HA VAL 30 HA VAL 30 2.356 -4.103 -3.258 194 HB VAL 30 HB VAL 30 1.581 -1.357 -2.257 195 1HG1 VAL 30 1HG1 VAL 30 3.365 -1.759 -0.596 196 2HG1 VAL 30 2HG1 VAL 30 3.540 -3.402 -1.217 197 3HG1 VAL 30 3HG1 VAL 30 2.029 -2.901 -0.456 198 1HG2 VAL 30 1HG2 VAL 30 3.957 -0.779 -2.692 199 2HG2 VAL 30 2HG2 VAL 30 3.015 -1.077 -4.150 200 3HG2 VAL 30 3HG2 VAL 30 4.127 -2.308 -3.552 201 H SER 31 H SER 31 1.254 -5.591 -2.203 202 HA SER 31 HA SER 31 -1.549 -5.259 -1.648 203 1HB SER 31 2HB SER 31 0.229 -7.555 -0.826 204 2HB SER 31 1HB SER 31 -1.516 -7.574 -1.062 205 HG SER 31 HG SER 31 0.055 -8.366 -2.814 206 H TYR 32 H TYR 32 -1.977 -3.896 0.009 207 HA TYR 32 HA TYR 32 -0.522 -4.312 2.528 208 1HB TYR 32 2HB TYR 32 -1.107 -2.096 3.190 209 2HB TYR 32 1HB TYR 32 -0.523 -1.991 1.532 210 HD1 TYR 32 HD1 TYR 32 -2.719 -2.501 -0.180 211 HD2 TYR 32 HD2 TYR 32 -2.762 -0.598 3.622 212 HE1 TYR 32 HE1 TYR 32 -4.776 -1.304 -0.807 213 HE2 TYR 32 HE2 TYR 32 -4.814 0.598 3.008 214 HH TYR 32 HH TYR 32 -6.766 -0.221 0.547 215 H HIS 33 H HIS 33 -1.912 -3.868 4.501 216 HA HIS 33 HA HIS 33 -4.503 -5.218 4.142 217 1HB HIS 33 2HB HIS 33 -2.588 -5.315 6.490 218 2HB HIS 33 1HB HIS 33 -4.207 -6.002 6.502 219 HD1 HIS 33 HD1 HIS 33 -0.736 -6.730 5.521 220 HD2 HIS 33 HD2 HIS 33 -4.526 -8.243 4.728 221 HE1 HIS 33 HE1 HIS 33 -0.361 -9.007 4.534 222 HE2 HIS 33 HE2 HIS 33 -2.670 -9.990 4.308 223 H ASP 34 H ASP 34 -6.136 -3.898 4.427 224 HA ASP 34 HA ASP 34 -6.000 -1.326 5.557 225 1HB ASP 34 2HB ASP 34 -8.329 -3.168 5.026 226 2HB ASP 34 1HB ASP 34 -8.539 -1.553 5.684 227 H GLN 35 H GLN 35 -6.906 -0.526 7.501 228 HA GLN 35 HA GLN 35 -6.875 -2.274 9.774 229 1HB GLN 35 2HB GLN 35 -6.427 0.309 9.647 230 2HB GLN 35 1HB GLN 35 -8.178 0.436 9.770 231 1HG GLN 35 2HG GLN 35 -8.145 -0.765 11.867 232 2HG GLN 35 1HG GLN 35 -6.402 -0.979 11.736 233 1HE2 GLN 35 1HE2 GLN 35 -5.928 0.056 13.598 234 2HE2 GLN 35 2HE2 GLN 35 -6.102 1.771 13.806 235 H GLN 36 H GLN 36 -8.961 -1.677 7.287 236 HA GLN 36 HA GLN 36 -11.451 -2.151 8.675 237 1HB GLN 36 2HB GLN 36 -11.231 -0.646 6.669 238 2HB GLN 36 1HB GLN 36 -10.898 -2.073 5.701 239 1HG GLN 36 2HG GLN 36 -13.175 -1.462 5.402 240 2HG GLN 36 1HG GLN 36 -13.122 -2.959 6.335 241 1HE2 GLN 36 1HE2 GLN 36 -13.761 -2.940 8.485 242 2HE2 GLN 36 2HE2 GLN 36 -14.635 -1.614 9.173 243 H GLY 37 H GLY 37 -8.918 -4.011 7.478 244 1HA GLY 37 2HA GLY 37 -8.749 -6.328 7.800 245 2HA GLY 37 1HA GLY 37 -10.501 -6.429 7.867 246 H ASN 38 H ASN 38 -8.816 -4.775 5.265 247 HA ASN 38 HA ASN 38 -9.509 -7.033 3.499 248 1HB ASN 38 2HB ASN 38 -9.459 -4.091 2.778 249 2HB ASN 38 1HB ASN 38 -9.755 -5.407 1.648 250 1HD2 ASN 38 1HD2 ASN 38 -11.081 -3.344 4.008 251 2HD2 ASN 38 2HD2 ASN 38 -12.707 -3.941 3.953 252 H ALA 39 H ALA 39 -8.041 -7.669 1.953 253 HA ALA 39 HA ALA 39 -5.353 -6.486 2.178 254 1HB ALA 39 1HB ALA 39 -5.452 -8.875 2.690 255 2HB ALA 39 2HB ALA 39 -4.527 -8.585 1.218 256 3HB ALA 39 3HB ALA 39 -6.180 -9.191 1.115 257 H MET 40 H MET 40 -5.179 -4.918 0.689 258 HA MET 40 HA MET 40 -6.140 -5.519 -2.031 259 1HB MET 40 2HB MET 40 -6.276 -2.826 -0.654 260 2HB MET 40 1HB MET 40 -6.800 -3.178 -2.297 261 1HG MET 40 2HG MET 40 -8.400 -4.850 -1.272 262 2HG MET 40 1HG MET 40 -8.005 -4.123 0.283 263 1HE MET 40 1HE MET 40 -7.669 -1.106 -0.329 264 2HE MET 40 2HE MET 40 -8.693 -1.669 0.993 265 3HE MET 40 3HE MET 40 -9.303 -0.469 -0.148 266 H GLN 41 H GLN 41 -5.102 -3.895 -3.654 267 HA GLN 41 HA GLN 41 -2.247 -3.705 -2.929 268 1HB GLN 41 2HB GLN 41 -3.310 -4.402 -5.668 269 2HB GLN 41 1HB GLN 41 -1.640 -4.468 -5.117 270 1HG GLN 41 2HG GLN 41 -2.237 -6.275 -3.573 271 2HG GLN 41 1HG GLN 41 -3.894 -6.226 -4.169 272 1HE2 GLN 41 1HE2 GLN 41 -0.653 -7.212 -4.791 273 2HE2 GLN 41 2HE2 GLN 41 -0.984 -8.141 -6.215 274 H ILE 42 H ILE 42 -1.665 -1.615 -2.900 275 HA ILE 42 HA ILE 42 -3.005 0.260 -4.704 276 HB ILE 42 HB ILE 42 -2.029 2.061 -3.502 277 1HG1 ILE 42 2HG1 ILE 42 -0.515 0.259 -1.641 278 2HG1 ILE 42 1HG1 ILE 42 0.228 0.752 -3.160 279 1HG2 ILE 42 1HG2 ILE 42 -3.942 1.007 -2.430 280 2HG2 ILE 42 2HG2 ILE 42 -2.838 1.694 -1.239 281 3HG2 ILE 42 3HG2 ILE 42 -2.857 -0.046 -1.522 282 1HD1 ILE 42 1HD1 ILE 42 -0.018 3.073 -2.561 283 2HD1 ILE 42 2HD1 ILE 42 0.857 2.201 -1.302 284 3HD1 ILE 42 3HD1 ILE 42 -0.839 2.622 -1.065 285 H ASN 43 H ASN 43 -1.314 2.049 -5.493 286 HA ASN 43 HA ASN 43 0.357 0.604 -7.326 287 1HB ASN 43 2HB ASN 43 -0.935 2.635 -7.949 288 2HB ASN 43 1HB ASN 43 0.114 3.586 -6.905 289 1HD2 ASN 43 1HD2 ASN 43 2.068 4.189 -7.592 290 2HD2 ASN 43 2HD2 ASN 43 2.716 3.837 -9.166 291 H ARG 44 H ARG 44 2.540 0.399 -7.333 292 HA ARG 44 HA ARG 44 3.847 0.329 -4.873 293 1HB ARG 44 2HB ARG 44 4.513 -1.065 -6.765 294 2HB ARG 44 1HB ARG 44 5.055 0.360 -7.644 295 1HG ARG 44 2HG ARG 44 6.679 0.755 -5.753 296 2HG ARG 44 1HG ARG 44 6.250 -0.852 -5.169 297 1HD ARG 44 2HD ARG 44 7.304 -0.271 -7.929 298 2HD ARG 44 1HD ARG 44 8.307 -0.777 -6.572 299 HE ARG 44 HE ARG 44 6.165 -2.600 -7.006 300 1HH1 ARG 44 1HH1 ARG 44 9.275 -1.606 -8.208 301 2HH1 ARG 44 2HH1 ARG 44 9.659 -3.149 -8.902 302 1HH2 ARG 44 1HH2 ARG 44 6.657 -4.660 -7.911 303 2HH2 ARG 44 2HH2 ARG 44 8.182 -4.885 -8.724 304 H ASP 45 H ASP 45 3.815 2.848 -7.314 305 HA ASP 45 HA ASP 45 6.160 4.185 -6.408 306 1HB ASP 45 2HB ASP 45 3.913 5.387 -8.029 307 2HB ASP 45 1HB ASP 45 5.585 5.928 -7.954 308 H ASP 46 H ASP 46 3.145 3.962 -5.017 309 HA ASP 46 HA ASP 46 3.097 6.682 -3.976 310 1HB ASP 46 2HB ASP 46 1.220 4.345 -3.610 311 2HB ASP 46 1HB ASP 46 1.012 5.900 -2.813 312 H VAL 47 H VAL 47 3.862 3.441 -2.948 313 HA VAL 47 HA VAL 47 3.740 3.901 -0.153 314 HB VAL 47 HB VAL 47 5.438 1.823 -1.546 315 1HG1 VAL 47 1HG1 VAL 47 4.079 1.805 1.141 316 2HG1 VAL 47 2HG1 VAL 47 5.799 2.100 0.876 317 3HG1 VAL 47 3HG1 VAL 47 5.098 0.531 0.473 318 1HG2 VAL 47 1HG2 VAL 47 3.471 0.344 -1.365 319 2HG2 VAL 47 2HG2 VAL 47 3.198 1.701 -2.457 320 3HG2 VAL 47 3HG2 VAL 47 2.514 1.723 -0.832 321 H SER 48 H SER 48 5.109 5.011 1.101 322 HA SER 48 HA SER 48 7.784 5.565 0.017 323 1HB SER 48 2HB SER 48 6.309 7.514 -0.272 324 2HB SER 48 1HB SER 48 5.986 7.529 1.461 325 HG SER 48 HG SER 48 7.607 9.003 1.067 326 H GLN 49 H GLN 49 6.040 6.189 3.090 327 HA GLN 49 HA GLN 49 8.437 5.174 4.479 328 1HB GLN 49 2HB GLN 49 6.643 7.478 5.261 329 2HB GLN 49 1HB GLN 49 7.975 6.865 6.234 330 1HG GLN 49 2HG GLN 49 9.556 7.492 4.503 331 2HG GLN 49 1HG GLN 49 8.234 8.042 3.474 332 1HE2 GLN 49 1HE2 GLN 49 10.147 8.718 6.295 333 2HE2 GLN 49 2HE2 GLN 49 9.655 10.364 6.475 334 H ILE 50 H ILE 50 8.020 3.370 5.549 335 HA ILE 50 HA ILE 50 5.304 2.890 6.541 336 HB ILE 50 HB ILE 50 7.619 0.951 6.424 337 1HG1 ILE 50 2HG1 ILE 50 6.938 1.646 4.168 338 2HG1 ILE 50 1HG1 ILE 50 6.485 -0.028 4.476 339 1HG2 ILE 50 1HG2 ILE 50 5.990 0.365 8.114 340 2HG2 ILE 50 2HG2 ILE 50 5.871 -0.755 6.755 341 3HG2 ILE 50 3HG2 ILE 50 4.680 0.533 6.947 342 1HD1 ILE 50 1HD1 ILE 50 4.728 1.136 3.298 343 2HD1 ILE 50 2HD1 ILE 50 4.653 2.359 4.565 344 3HD1 ILE 50 3HD1 ILE 50 4.185 0.693 4.916 345 H ILE 51 H ILE 51 8.569 2.089 7.753 346 HA ILE 51 HA ILE 51 7.596 2.561 10.476 347 HB ILE 51 HB ILE 51 10.213 1.356 9.550 348 1HG1 ILE 51 2HG1 ILE 51 7.726 -0.001 10.621 349 2HG1 ILE 51 1HG1 ILE 51 8.254 -0.020 8.941 350 1HG2 ILE 51 1HG2 ILE 51 10.438 0.584 11.871 351 2HG2 ILE 51 2HG2 ILE 51 8.969 1.462 12.296 352 3HG2 ILE 51 3HG2 ILE 51 10.399 2.344 11.762 353 1HD1 ILE 51 1HD1 ILE 51 10.237 -1.259 9.548 354 2HD1 ILE 51 2HD1 ILE 51 8.797 -2.092 10.133 355 3HD1 ILE 51 3HD1 ILE 51 9.802 -1.170 11.252 356 H GLU 52 H GLU 52 9.714 3.844 8.071 357 HA GLU 52 HA GLU 52 11.351 5.422 9.759 358 1HB GLU 52 2HB GLU 52 11.869 6.638 7.581 359 2HB GLU 52 1HB GLU 52 12.238 4.920 7.638 360 1HG GLU 52 2HG GLU 52 9.977 4.557 6.535 361 2HG GLU 52 1HG GLU 52 9.972 6.295 6.235 362 H ARG 53 H ARG 53 10.196 6.661 11.151 363 HA ARG 53 HA ARG 53 8.098 8.427 10.303 364 1HB ARG 53 2HB ARG 53 9.691 8.318 12.876 365 2HB ARG 53 1HB ARG 53 8.319 9.380 12.607 366 1HG ARG 53 2HG ARG 53 8.299 6.375 12.713 367 2HG ARG 53 1HG ARG 53 7.606 7.499 13.883 368 1HD ARG 53 2HD ARG 53 6.076 8.318 12.101 369 2HD ARG 53 1HD ARG 53 6.708 7.059 11.039 370 HE ARG 53 HE ARG 53 5.350 6.452 13.591 371 1HH1 ARG 53 1HH1 ARG 53 5.794 5.962 10.152 372 2HH1 ARG 53 2HH1 ARG 53 4.765 4.560 10.086 373 1HH2 ARG 53 1HH2 ARG 53 3.933 4.638 13.495 374 2HH2 ARG 53 2HH2 ARG 53 3.699 3.828 11.972 Start of MODEL 20 1 H ASP 4 H ASP 4 3.914 1.363 16.406 2 HA ASP 4 HA ASP 4 2.589 -0.463 16.253 3 1HB ASP 4 2HB ASP 4 0.481 1.517 15.380 4 2HB ASP 4 1HB ASP 4 0.170 -0.189 15.671 5 H TYR 5 H TYR 5 0.980 1.191 13.610 6 HA TYR 5 HA TYR 5 2.383 -0.204 11.551 7 1HB TYR 5 2HB TYR 5 -0.026 -1.263 10.905 8 2HB TYR 5 1HB TYR 5 1.225 -2.144 11.771 9 HD1 TYR 5 HD2 TYR 5 -1.751 0.034 12.396 10 HD2 TYR 5 HD1 TYR 5 0.717 -3.133 13.801 11 HE1 TYR 5 HE2 TYR 5 -3.284 -0.319 14.282 12 HE2 TYR 5 HE1 TYR 5 -0.813 -3.494 15.688 13 HH TYR 5 HH TYR 5 -2.480 -2.114 16.986 14 H VAL 6 H VAL 6 2.534 1.441 10.211 15 HA VAL 6 HA VAL 6 0.137 2.706 9.198 16 HB VAL 6 HB VAL 6 0.746 4.115 11.132 17 1HG1 VAL 6 1HG1 VAL 6 2.819 5.418 11.119 18 2HG1 VAL 6 2HG1 VAL 6 3.353 4.541 9.683 19 3HG1 VAL 6 3HG1 VAL 6 3.133 3.683 11.210 20 1HG2 VAL 6 1HG2 VAL 6 1.258 5.448 8.477 21 2HG2 VAL 6 2HG2 VAL 6 0.813 6.269 9.974 22 3HG2 VAL 6 3HG2 VAL 6 -0.321 5.155 9.207 23 H MET 7 H MET 7 0.430 3.601 7.149 24 HA MET 7 HA MET 7 3.093 3.226 5.955 25 1HB MET 7 2HB MET 7 1.611 1.303 5.417 26 2HB MET 7 1HB MET 7 0.462 2.418 4.696 27 1HG MET 7 2HG MET 7 2.043 3.013 2.983 28 2HG MET 7 1HG MET 7 3.289 2.024 3.746 29 1HE MET 7 1HE MET 7 -0.157 2.015 1.868 30 2HE MET 7 2HE MET 7 -0.537 1.153 3.361 31 3HE MET 7 3HE MET 7 -0.537 0.293 1.821 32 H ALA 8 H ALA 8 3.692 5.257 5.557 33 HA ALA 8 HA ALA 8 1.731 7.234 4.724 34 1HB ALA 8 1HB ALA 8 3.405 7.867 6.390 35 2HB ALA 8 2HB ALA 8 3.560 8.843 4.929 36 3HB ALA 8 3HB ALA 8 4.691 7.524 5.233 37 H THR 9 H THR 9 1.694 8.220 2.748 38 HA THR 9 HA THR 9 3.111 6.766 0.632 39 HB THR 9 HB THR 9 1.305 7.808 -0.833 40 HG1 THR 9 HG1 THR 9 -0.045 8.186 1.624 41 1HG2 THR 9 1HG2 THR 9 1.211 5.464 -0.135 42 2HG2 THR 9 2HG2 THR 9 -0.403 6.174 -0.118 43 3HG2 THR 9 3HG2 THR 9 0.472 5.940 1.395 44 H LYS 10 H LYS 10 3.459 8.128 -1.395 45 HA LYS 10 HA LYS 10 5.157 10.338 -0.625 46 1HB LYS 10 2HB LYS 10 5.862 8.638 -2.281 47 2HB LYS 10 1HB LYS 10 4.574 9.165 -3.354 48 1HG LYS 10 2HG LYS 10 5.634 11.170 -3.848 49 2HG LYS 10 1HG LYS 10 6.649 11.099 -2.406 50 1HD LYS 10 2HD LYS 10 7.932 10.632 -4.440 51 2HD LYS 10 1HD LYS 10 7.900 9.241 -3.357 52 1HE LYS 10 2HE LYS 10 6.033 8.312 -4.728 53 2HE LYS 10 1HE LYS 10 6.276 9.644 -5.859 54 1HZ LYS 10 1HZ LYS 10 8.585 8.879 -6.151 55 2HZ LYS 10 2HZ LYS 10 7.456 7.710 -6.629 56 3HZ LYS 10 3HZ LYS 10 8.260 7.548 -5.149 57 H ASP 11 H ASP 11 1.945 9.981 -1.456 58 HA ASP 11 HA ASP 11 1.732 12.724 -2.449 59 1HB ASP 11 2HB ASP 11 -0.215 10.424 -2.415 60 2HB ASP 11 1HB ASP 11 -0.719 12.073 -2.779 61 H GLY 12 H GLY 12 2.014 11.356 0.417 62 1HA GLY 12 2HA GLY 12 1.807 12.408 2.463 63 2HA GLY 12 1HA GLY 12 0.820 13.641 1.698 64 H ARG 13 H ARG 13 -0.028 10.283 1.342 65 HA ARG 13 HA ARG 13 -2.373 10.765 3.036 66 1HB ARG 13 2HB ARG 13 -2.041 8.253 1.452 67 2HB ARG 13 1HB ARG 13 -3.509 9.140 1.845 68 1HG ARG 13 2HG ARG 13 -2.695 10.927 0.274 69 2HG ARG 13 1HG ARG 13 -1.451 9.797 -0.211 70 1HD ARG 13 2HD ARG 13 -4.361 9.076 -0.288 71 2HD ARG 13 1HD ARG 13 -3.571 9.888 -1.633 72 HE ARG 13 HE ARG 13 -1.962 7.792 -1.304 73 1HH1 ARG 13 1HH1 ARG 13 -5.460 7.940 -1.320 74 2HH1 ARG 13 2HH1 ARG 13 -5.647 6.404 -2.101 75 1HH2 ARG 13 1HH2 ARG 13 -2.207 5.765 -2.317 76 2HH2 ARG 13 2HH2 ARG 13 -3.811 5.172 -2.672 77 H MET 14 H MET 14 -2.613 9.804 4.900 78 HA MET 14 HA MET 14 -0.492 8.010 5.816 79 1HB MET 14 2HB MET 14 -2.451 9.775 7.251 80 2HB MET 14 1HB MET 14 -1.698 8.430 8.095 81 1HG MET 14 2HG MET 14 -0.496 10.483 8.513 82 2HG MET 14 1HG MET 14 0.509 9.349 7.617 83 1HE MET 14 1HE MET 14 1.765 12.767 6.237 84 2HE MET 14 2HE MET 14 2.217 11.231 6.980 85 3HE MET 14 3HE MET 14 1.274 12.410 7.893 86 H ILE 15 H ILE 15 -1.031 6.045 5.070 87 HA ILE 15 HA ILE 15 -3.773 5.099 5.361 88 HB ILE 15 HB ILE 15 -1.379 3.920 3.946 89 1HG1 ILE 15 2HG1 ILE 15 -3.961 5.093 2.883 90 2HG1 ILE 15 1HG1 ILE 15 -2.410 5.922 2.911 91 1HG2 ILE 15 1HG2 ILE 15 -4.199 2.859 4.086 92 2HG2 ILE 15 2HG2 ILE 15 -2.768 2.116 4.803 93 3HG2 ILE 15 3HG2 ILE 15 -2.917 2.233 3.049 94 1HD1 ILE 15 1HD1 ILE 15 -3.065 3.435 1.350 95 2HD1 ILE 15 2HD1 ILE 15 -1.495 4.235 1.392 96 3HD1 ILE 15 3HD1 ILE 15 -2.889 5.068 0.703 97 H LEU 16 H LEU 16 -4.392 3.580 6.768 98 HA LEU 16 HA LEU 16 -2.447 2.723 8.759 99 1HB LEU 16 2HB LEU 16 -5.453 2.536 8.632 100 2HB LEU 16 1HB LEU 16 -4.511 1.755 9.884 101 HG LEU 16 HG LEU 16 -5.370 3.783 10.790 102 1HD1 LEU 16 1HD1 LEU 16 -2.465 4.157 10.080 103 2HD1 LEU 16 2HD1 LEU 16 -3.102 3.260 11.460 104 3HD1 LEU 16 3HD1 LEU 16 -3.329 5.007 11.363 105 1HD2 LEU 16 1HD2 LEU 16 -5.898 4.979 8.761 106 2HD2 LEU 16 2HD2 LEU 16 -4.184 5.176 8.393 107 3HD2 LEU 16 3HD2 LEU 16 -4.886 5.984 9.795 108 H THR 17 H THR 17 -1.950 0.599 9.176 109 HA THR 17 HA THR 17 -2.968 -1.413 7.301 110 HB THR 17 HB THR 17 -0.559 -2.299 7.169 111 HG1 THR 17 HG1 THR 17 0.146 0.375 7.819 112 1HG2 THR 17 1HG2 THR 17 0.061 -0.777 5.346 113 2HG2 THR 17 2HG2 THR 17 -1.166 0.369 5.883 114 3HG2 THR 17 3HG2 THR 17 -1.647 -1.210 5.265 115 H ASP 18 H ASP 18 -2.190 -3.664 8.054 116 HA ASP 18 HA ASP 18 -1.871 -3.743 10.976 117 1HB ASP 18 2HB ASP 18 -2.453 -6.074 10.881 118 2HB ASP 18 1HB ASP 18 -3.635 -5.207 9.914 119 H GLY 19 H GLY 19 -0.075 -2.914 8.824 120 1HA GLY 19 2HA GLY 19 2.214 -2.919 8.492 121 2HA GLY 19 1HA GLY 19 2.339 -4.337 9.535 122 H LYS 20 H LYS 20 3.846 -4.987 7.603 123 HA LYS 20 HA LYS 20 4.039 -6.961 6.468 124 1HB LYS 20 2HB LYS 20 1.113 -7.368 7.082 125 2HB LYS 20 1HB LYS 20 2.293 -8.607 6.676 126 1HG LYS 20 2HG LYS 20 3.503 -8.141 8.745 127 2HG LYS 20 1HG LYS 20 2.332 -6.884 9.146 128 1HD LYS 20 2HD LYS 20 0.554 -8.640 9.088 129 2HD LYS 20 1HD LYS 20 1.831 -9.844 8.900 130 1HE LYS 20 2HE LYS 20 1.405 -7.974 11.223 131 2HE LYS 20 1HE LYS 20 1.235 -9.729 11.218 132 1HZ LYS 20 1HZ LYS 20 3.723 -8.135 11.018 133 2HZ LYS 20 2HZ LYS 20 3.671 -9.772 10.594 134 3HZ LYS 20 3HZ LYS 20 3.315 -9.299 12.183 135 HA PRO 21 HA PRO 21 1.679 -5.206 2.798 136 1HB PRO 21 2HB PRO 21 3.498 -3.630 1.630 137 2HB PRO 21 1HB PRO 21 2.507 -3.047 2.974 138 1HG PRO 21 2HG PRO 21 5.341 -3.997 2.977 139 2HG PRO 21 1HG PRO 21 4.616 -2.637 3.851 140 1HD PRO 21 2HD PRO 21 5.133 -5.118 4.950 141 2HD PRO 21 1HD PRO 21 3.940 -3.964 5.577 142 H GLU 22 H GLU 22 1.678 -6.286 0.898 143 HA GLU 22 HA GLU 22 4.095 -7.813 0.214 144 1HB GLU 22 2HB GLU 22 1.186 -8.243 -0.464 145 2HB GLU 22 1HB GLU 22 2.486 -9.141 -1.231 146 1HG GLU 22 2HG GLU 22 3.170 -9.978 0.979 147 2HG GLU 22 1HG GLU 22 1.799 -9.130 1.696 148 H ILE 23 H ILE 23 5.291 -6.883 -1.279 149 HA ILE 23 HA ILE 23 4.022 -5.092 -3.193 150 HB ILE 23 HB ILE 23 6.964 -5.627 -2.720 151 1HG1 ILE 23 2HG1 ILE 23 5.167 -3.320 -1.928 152 2HG1 ILE 23 1HG1 ILE 23 5.893 -4.477 -0.833 153 1HG2 ILE 23 1HG2 ILE 23 7.335 -3.674 -4.150 154 2HG2 ILE 23 2HG2 ILE 23 5.597 -3.543 -4.430 155 3HG2 ILE 23 3HG2 ILE 23 6.485 -4.948 -5.026 156 1HD1 ILE 23 1HD1 ILE 23 7.381 -2.480 -2.518 157 2HD1 ILE 23 2HD1 ILE 23 8.109 -3.647 -1.414 158 3HD1 ILE 23 3HD1 ILE 23 7.075 -2.364 -0.784 159 H ASP 24 H ASP 24 3.205 -6.014 -4.888 160 HA ASP 24 HA ASP 24 4.116 -8.504 -5.969 161 1HB ASP 24 2HB ASP 24 2.181 -6.476 -7.117 162 2HB ASP 24 1HB ASP 24 2.396 -8.127 -7.686 163 H ASP 25 H ASP 25 6.149 -8.396 -6.756 164 HA ASP 25 HA ASP 25 7.144 -5.991 -7.973 165 1HB ASP 25 2HB ASP 25 9.280 -7.282 -8.136 166 2HB ASP 25 1HB ASP 25 8.624 -7.160 -6.507 167 H ASP 26 H ASP 26 5.407 -8.532 -9.213 168 HA ASP 26 HA ASP 26 6.690 -8.784 -11.748 169 1HB ASP 26 2HB ASP 26 3.934 -9.447 -10.752 170 2HB ASP 26 1HB ASP 26 4.303 -9.529 -12.471 171 H THR 27 H THR 27 4.421 -6.549 -10.363 172 HA THR 27 HA THR 27 4.336 -5.096 -12.921 173 HB THR 27 HB THR 27 2.182 -6.084 -12.715 174 HG1 THR 27 HG1 THR 27 2.050 -3.906 -13.314 175 1HG2 THR 27 1HG2 THR 27 2.286 -6.707 -10.363 176 2HG2 THR 27 2HG2 THR 27 0.773 -5.881 -10.734 177 3HG2 THR 27 3HG2 THR 27 2.068 -5.020 -9.900 178 H GLY 28 H GLY 28 4.460 -4.945 -9.422 179 1HA GLY 28 2HA GLY 28 5.575 -3.125 -8.322 180 2HA GLY 28 1HA GLY 28 5.054 -2.071 -9.631 181 H LEU 29 H LEU 29 2.999 -4.408 -7.989 182 HA LEU 29 HA LEU 29 1.409 -2.165 -6.958 183 1HB LEU 29 2HB LEU 29 0.617 -5.055 -7.346 184 2HB LEU 29 1HB LEU 29 -0.429 -3.779 -6.754 185 HG LEU 29 HG LEU 29 0.763 -3.965 -9.521 186 1HD1 LEU 29 1HD1 LEU 29 -1.576 -4.210 -10.219 187 2HD1 LEU 29 2HD1 LEU 29 -2.066 -4.229 -8.525 188 3HD1 LEU 29 3HD1 LEU 29 -1.056 -5.524 -9.165 189 1HD2 LEU 29 1HD2 LEU 29 -1.082 -1.883 -8.354 190 2HD2 LEU 29 2HD2 LEU 29 -0.568 -1.991 -10.039 191 3HD2 LEU 29 3HD2 LEU 29 0.614 -1.640 -8.777 192 H VAL 30 H VAL 30 0.282 -2.673 -4.827 193 HA VAL 30 HA VAL 30 2.012 -4.221 -3.026 194 HB VAL 30 HB VAL 30 1.071 -1.380 -2.568 195 1HG1 VAL 30 1HG1 VAL 30 0.864 -2.637 -0.503 196 2HG1 VAL 30 2HG1 VAL 30 2.215 -1.509 -0.403 197 3HG1 VAL 30 3HG1 VAL 30 2.520 -3.225 -0.670 198 1HG2 VAL 30 1HG2 VAL 30 3.031 -1.455 -3.962 199 2HG2 VAL 30 2HG2 VAL 30 3.833 -2.550 -2.840 200 3HG2 VAL 30 3HG2 VAL 30 3.486 -0.892 -2.354 201 H SER 31 H SER 31 0.784 -5.680 -2.080 202 HA SER 31 HA SER 31 -2.059 -5.183 -1.655 203 1HB SER 31 2HB SER 31 -1.491 -7.732 -0.721 204 2HB SER 31 1HB SER 31 -2.098 -7.336 -2.324 205 HG SER 31 HG SER 31 0.018 -7.309 -3.094 206 H TYR 32 H TYR 32 -2.773 -4.459 0.245 207 HA TYR 32 HA TYR 32 -1.235 -5.050 2.686 208 1HB TYR 32 2HB TYR 32 -1.281 -2.773 3.410 209 2HB TYR 32 1HB TYR 32 -0.695 -2.749 1.750 210 HD1 TYR 32 HD2 TYR 32 -2.606 -2.420 -0.075 211 HD2 TYR 32 HD1 TYR 32 -2.939 -1.274 4.005 212 HE1 TYR 32 HE2 TYR 32 -4.389 -0.832 -0.676 213 HE2 TYR 32 HE1 TYR 32 -4.715 0.319 3.419 214 HH TYR 32 HH TYR 32 -5.610 1.498 1.594 215 H HIS 33 H HIS 33 -2.554 -4.380 4.681 216 HA HIS 33 HA HIS 33 -5.427 -4.852 4.191 217 1HB HIS 33 2HB HIS 33 -3.895 -5.382 6.748 218 2HB HIS 33 1HB HIS 33 -5.586 -5.744 6.452 219 HD1 HIS 33 HD1 HIS 33 -2.359 -7.250 6.508 220 HD2 HIS 33 HD2 HIS 33 -5.854 -7.831 4.334 221 HE1 HIS 33 HE1 HIS 33 -2.207 -9.589 5.589 222 HE2 HIS 33 HE2 HIS 33 -4.463 -10.002 4.539 223 H ASP 34 H ASP 34 -6.874 -3.364 4.965 224 HA ASP 34 HA ASP 34 -5.821 -1.081 6.447 225 1HB ASP 34 2HB ASP 34 -8.107 -1.523 4.770 226 2HB ASP 34 1HB ASP 34 -8.645 -0.932 6.338 227 H GLN 35 H GLN 35 -7.731 -0.378 8.172 228 HA GLN 35 HA GLN 35 -7.228 -2.132 10.355 229 1HB GLN 35 2HB GLN 35 -9.097 0.235 10.185 230 2HB GLN 35 1HB GLN 35 -8.588 -0.560 11.668 231 1HG GLN 35 2HG GLN 35 -6.233 0.039 11.075 232 2HG GLN 35 1HG GLN 35 -6.881 1.003 9.750 233 1HE2 GLN 35 1HE2 GLN 35 -6.539 0.703 13.185 234 2HE2 GLN 35 2HE2 GLN 35 -7.050 2.315 13.585 235 H GLN 36 H GLN 36 -9.332 -2.549 7.918 236 HA GLN 36 HA GLN 36 -11.473 -3.686 9.563 237 1HB GLN 36 2HB GLN 36 -11.308 -3.429 6.552 238 2HB GLN 36 1HB GLN 36 -12.724 -3.891 7.481 239 1HG GLN 36 2HG GLN 36 -11.373 -1.202 7.489 240 2HG GLN 36 1HG GLN 36 -12.918 -1.605 6.748 241 1HE2 GLN 36 1HE2 GLN 36 -13.758 -3.304 8.939 242 2HE2 GLN 36 2HE2 GLN 36 -14.170 -2.248 10.247 243 H GLY 37 H GLY 37 -8.550 -4.619 8.410 244 1HA GLY 37 2HA GLY 37 -7.581 -6.713 8.177 245 2HA GLY 37 1HA GLY 37 -9.146 -7.433 8.547 246 H ASN 38 H ASN 38 -9.141 -5.062 6.139 247 HA ASN 38 HA ASN 38 -9.777 -7.059 4.119 248 1HB ASN 38 2HB ASN 38 -10.628 -5.078 2.831 249 2HB ASN 38 1HB ASN 38 -11.439 -5.344 4.368 250 1HD2 ASN 38 1HD2 ASN 38 -11.236 -2.931 2.777 251 2HD2 ASN 38 2HD2 ASN 38 -10.499 -1.739 3.791 252 H ALA 39 H ALA 39 -8.600 -7.409 2.357 253 HA ALA 39 HA ALA 39 -5.980 -6.118 2.236 254 1HB ALA 39 1HB ALA 39 -6.078 -8.576 2.339 255 2HB ALA 39 2HB ALA 39 -5.296 -7.995 0.869 256 3HB ALA 39 3HB ALA 39 -6.956 -8.588 0.809 257 H MET 40 H MET 40 -5.716 -4.493 0.899 258 HA MET 40 HA MET 40 -7.120 -4.547 -1.689 259 1HB MET 40 2HB MET 40 -6.526 -2.203 0.113 260 2HB MET 40 1HB MET 40 -6.910 -2.004 -1.592 261 1HG MET 40 2HG MET 40 -9.049 -3.096 -1.251 262 2HG MET 40 1HG MET 40 -8.671 -3.340 0.450 263 1HE MET 40 1HE MET 40 -8.599 -1.446 2.236 264 2HE MET 40 2HE MET 40 -8.725 0.273 1.865 265 3HE MET 40 3HE MET 40 -7.323 -0.647 1.317 266 H GLN 41 H GLN 41 -5.911 -3.035 -3.317 267 HA GLN 41 HA GLN 41 -3.036 -3.589 -3.051 268 1HB GLN 41 2HB GLN 41 -4.425 -5.272 -4.434 269 2HB GLN 41 1HB GLN 41 -4.510 -3.992 -5.636 270 1HG GLN 41 2HG GLN 41 -2.122 -3.967 -5.857 271 2HG GLN 41 1HG GLN 41 -1.947 -5.123 -4.536 272 1HE2 GLN 41 1HE2 GLN 41 -0.899 -6.652 -5.780 273 2HE2 GLN 41 2HE2 GLN 41 -1.720 -7.550 -7.012 274 H ILE 42 H ILE 42 -1.762 -1.964 -3.587 275 HA ILE 42 HA ILE 42 -2.827 0.273 -5.171 276 HB ILE 42 HB ILE 42 -3.179 1.203 -3.107 277 1HG1 ILE 42 2HG1 ILE 42 -1.191 2.381 -4.416 278 2HG1 ILE 42 1HG1 ILE 42 -1.726 2.955 -2.842 279 1HG2 ILE 42 1HG2 ILE 42 -2.448 -0.702 -1.810 280 2HG2 ILE 42 2HG2 ILE 42 -1.855 0.796 -1.096 281 3HG2 ILE 42 3HG2 ILE 42 -0.762 -0.229 -2.027 282 1HD1 ILE 42 1HD1 ILE 42 0.658 2.900 -2.873 283 2HD1 ILE 42 2HD1 ILE 42 0.661 1.231 -3.434 284 3HD1 ILE 42 3HD1 ILE 42 0.087 1.613 -1.810 285 H ASN 43 H ASN 43 -1.301 1.348 -6.445 286 HA ASN 43 HA ASN 43 0.964 -0.182 -7.213 287 1HB ASN 43 2HB ASN 43 -0.234 1.205 -8.816 288 2HB ASN 43 1HB ASN 43 0.191 2.658 -7.920 289 1HD2 ASN 43 1HD2 ASN 43 1.315 0.189 -10.082 290 2HD2 ASN 43 2HD2 ASN 43 2.808 0.952 -10.495 291 H ARG 44 H ARG 44 3.150 0.086 -6.833 292 HA ARG 44 HA ARG 44 3.730 1.048 -4.239 293 1HB ARG 44 2HB ARG 44 6.067 0.360 -4.720 294 2HB ARG 44 1HB ARG 44 4.874 -0.889 -5.015 295 1HG ARG 44 2HG ARG 44 6.373 -1.069 -6.786 296 2HG ARG 44 1HG ARG 44 4.998 -0.204 -7.464 297 1HD ARG 44 2HD ARG 44 6.252 1.569 -7.959 298 2HD ARG 44 1HD ARG 44 6.943 1.612 -6.336 299 HE ARG 44 HE ARG 44 8.377 -0.336 -7.300 300 1HH1 ARG 44 1HH1 ARG 44 7.343 2.526 -9.065 301 2HH1 ARG 44 2HH1 ARG 44 8.790 2.575 -10.041 302 1HH2 ARG 44 1HH2 ARG 44 10.225 -0.270 -8.590 303 2HH2 ARG 44 2HH2 ARG 44 10.407 0.966 -9.797 304 H ASP 45 H ASP 45 3.643 2.797 -7.122 305 HA ASP 45 HA ASP 45 5.737 4.651 -6.420 306 1HB ASP 45 2HB ASP 45 3.662 4.525 -8.567 307 2HB ASP 45 1HB ASP 45 4.442 6.066 -8.227 308 H ASP 46 H ASP 46 2.626 4.091 -5.348 309 HA ASP 46 HA ASP 46 2.020 6.850 -4.693 310 1HB ASP 46 2HB ASP 46 0.284 5.131 -5.363 311 2HB ASP 46 1HB ASP 46 0.556 4.363 -3.807 312 H VAL 47 H VAL 47 2.833 3.839 -2.974 313 HA VAL 47 HA VAL 47 2.941 5.048 -0.396 314 HB VAL 47 HB VAL 47 4.249 2.989 0.267 315 1HG1 VAL 47 1HG1 VAL 47 2.288 1.489 0.048 316 2HG1 VAL 47 2HG1 VAL 47 1.562 2.665 -1.046 317 3HG1 VAL 47 3HG1 VAL 47 1.882 3.104 0.629 318 1HG2 VAL 47 1HG2 VAL 47 3.627 2.154 -2.568 319 2HG2 VAL 47 2HG2 VAL 47 4.283 1.106 -1.307 320 3HG2 VAL 47 3HG2 VAL 47 5.231 2.468 -1.908 321 H SER 48 H SER 48 4.935 5.098 0.950 322 HA SER 48 HA SER 48 7.431 5.449 -0.438 323 1HB SER 48 2HB SER 48 6.328 7.601 -0.891 324 2HB SER 48 1HB SER 48 6.081 7.843 0.838 325 HG SER 48 HG SER 48 8.473 7.896 -0.653 326 H GLN 49 H GLN 49 5.988 6.684 2.599 327 HA GLN 49 HA GLN 49 8.399 5.783 3.974 328 1HB GLN 49 2HB GLN 49 6.163 7.593 4.884 329 2HB GLN 49 1HB GLN 49 7.542 7.138 5.876 330 1HG GLN 49 2HG GLN 49 9.043 8.187 4.238 331 2HG GLN 49 1HG GLN 49 7.640 8.682 3.292 332 1HE2 GLN 49 1HE2 GLN 49 7.650 8.637 6.780 333 2HE2 GLN 49 2HE2 GLN 49 7.606 10.352 6.990 334 H ILE 50 H ILE 50 8.133 3.637 4.285 335 HA ILE 50 HA ILE 50 6.375 3.024 6.520 336 HB ILE 50 HB ILE 50 5.072 2.191 4.668 337 1HG1 ILE 50 2HG1 ILE 50 6.458 -0.136 6.019 338 2HG1 ILE 50 1HG1 ILE 50 5.192 0.840 6.755 339 1HG2 ILE 50 1HG2 ILE 50 7.503 0.618 3.836 340 2HG2 ILE 50 2HG2 ILE 50 6.820 2.008 2.992 341 3HG2 ILE 50 3HG2 ILE 50 5.900 0.508 3.108 342 1HD1 ILE 50 1HD1 ILE 50 3.630 0.119 5.037 343 2HD1 ILE 50 2HD1 ILE 50 4.318 -1.257 5.897 344 3HD1 ILE 50 3HD1 ILE 50 4.894 -0.849 4.281 345 H ILE 51 H ILE 51 8.952 1.842 4.384 346 HA ILE 51 HA ILE 51 10.149 0.327 6.544 347 HB ILE 51 HB ILE 51 10.233 -0.582 4.271 348 1HG1 ILE 51 2HG1 ILE 51 12.978 0.216 5.270 349 2HG1 ILE 51 1HG1 ILE 51 12.039 -1.155 5.848 350 1HG2 ILE 51 1HG2 ILE 51 10.286 1.522 3.031 351 2HG2 ILE 51 2HG2 ILE 51 11.587 0.445 2.524 352 3HG2 ILE 51 3HG2 ILE 51 11.935 1.811 3.584 353 1HD1 ILE 51 1HD1 ILE 51 13.078 -0.799 3.048 354 2HD1 ILE 51 2HD1 ILE 51 12.175 -2.187 3.654 355 3HD1 ILE 51 3HD1 ILE 51 13.782 -1.832 4.289 356 H GLU 52 H GLU 52 10.391 3.441 5.098 357 HA GLU 52 HA GLU 52 13.004 4.017 6.223 358 1HB GLU 52 2HB GLU 52 11.068 5.802 4.731 359 2HB GLU 52 1HB GLU 52 12.717 6.224 5.170 360 1HG GLU 52 2HG GLU 52 11.913 3.999 3.308 361 2HG GLU 52 1HG GLU 52 12.535 5.577 2.826 362 H ARG 53 H ARG 53 9.997 3.812 7.416 363 HA ARG 53 HA ARG 53 8.901 4.549 9.244 364 1HB ARG 53 2HB ARG 53 11.590 5.675 10.048 365 2HB ARG 53 1HB ARG 53 10.196 5.503 11.103 366 1HG ARG 53 2HG ARG 53 10.295 3.088 10.889 367 2HG ARG 53 1HG ARG 53 11.657 3.228 9.772 368 1HD ARG 53 2HD ARG 53 12.980 4.302 11.531 369 2HD ARG 53 1HD ARG 53 11.620 4.152 12.643 370 HE ARG 53 HE ARG 53 12.423 1.634 11.540 371 1HH1 ARG 53 1HH1 ARG 53 13.228 4.021 13.965 372 2HH1 ARG 53 2HH1 ARG 53 13.935 2.866 15.062 373 1HH2 ARG 53 1HH2 ARG 53 13.370 0.103 12.949 374 2HH2 ARG 53 2HH2 ARG 53 14.010 0.631 14.486
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