NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
547772 | 2lum | 18531 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.849 -0.904 -1.781 3 HB2 MET 1 HB2 MET 1 1.325 1.983 -1.457 4 HB3 MET 1 HB3 MET 1 2.598 1.573 -2.599 5 HG2 MET 1 HG2 MET 1 1.134 0.344 -3.958 6 HG3 MET 1 HG3 MET 1 -0.108 0.291 -2.710 7 HE1 MET 1 HE1 MET 1 2.021 2.337 -4.949 8 HE2 MET 1 HE2 MET 1 0.682 2.323 -6.097 9 HE3 MET 1 HE3 MET 1 1.137 3.825 -5.290 10 H GLN 2 H GLN 2 3.431 1.871 -0.151 11 HA GLN 2 HA GLN 2 5.974 0.303 -0.291 12 HB2 GLN 2 HB2 GLN 2 5.675 3.303 -0.608 13 HB3 GLN 2 HB3 GLN 2 7.175 2.390 -0.693 14 HG2 GLN 2 HG2 GLN 2 6.666 1.488 -2.757 15 HG3 GLN 2 HG3 GLN 2 4.936 1.766 -2.565 16 HE21 GLN 2 HE21 GLN 2 6.950 2.535 -4.657 17 HE22 GLN 2 HE22 GLN 2 6.728 4.236 -4.865 18 H TYR 3 H TYR 3 6.856 -0.103 1.610 19 HA TYR 3 HA TYR 3 6.035 1.631 3.900 20 HB2 TYR 3 HB2 TYR 3 7.041 -1.231 3.863 21 HB3 TYR 3 HB3 TYR 3 6.666 -0.315 5.319 22 HD1 TYR 3 HD2 TYR 3 5.108 -1.479 2.136 23 HD2 TYR 3 HD1 TYR 3 4.527 -0.422 6.216 24 HE1 TYR 3 HE2 TYR 3 2.765 -2.211 1.986 25 HE2 TYR 3 HE1 TYR 3 2.183 -1.152 6.078 26 HH TYR 3 HH TYR 3 0.893 -2.909 4.499 27 H LYS 4 H LYS 4 7.714 1.657 5.719 28 HA LYS 4 HA LYS 4 10.456 1.854 4.552 29 HB2 LYS 4 HB2 LYS 4 8.897 4.048 5.180 30 HB3 LYS 4 HB3 LYS 4 9.863 3.837 6.634 31 HG2 LYS 4 HG2 LYS 4 11.902 3.960 5.339 32 HG3 LYS 4 HG3 LYS 4 10.971 4.070 3.843 33 HD2 LYS 4 HD2 LYS 4 10.214 6.221 4.331 34 HD3 LYS 4 HD3 LYS 4 10.573 6.059 6.052 35 HE2 LYS 4 HE2 LYS 4 12.451 7.183 5.619 36 HE3 LYS 4 HE3 LYS 4 13.029 5.704 4.854 37 HZ1 LYS 4 HZ1 LYS 4 11.710 8.006 3.525 38 HZ2 LYS 4 HZ2 LYS 4 12.043 6.539 2.753 39 HZ3 LYS 4 HZ3 LYS 4 13.312 7.495 3.333 40 H LEU 5 H LEU 5 12.188 1.570 6.015 41 HA LEU 5 HA LEU 5 11.445 0.664 8.743 42 HB2 LEU 5 HB2 LEU 5 11.517 -1.445 7.897 43 HB3 LEU 5 HB3 LEU 5 12.580 -0.998 6.564 44 HG LEU 5 HG LEU 5 14.484 -0.969 8.146 45 HD11 LEU 5 HD11 LEU 5 13.902 -2.331 10.317 46 HD12 LEU 5 HD12 LEU 5 12.307 -1.622 10.067 47 HD13 LEU 5 HD13 LEU 5 13.715 -0.578 10.264 48 HD21 LEU 5 HD21 LEU 5 13.248 -3.645 8.489 49 HD22 LEU 5 HD22 LEU 5 14.861 -3.204 7.928 50 HD23 LEU 5 HD23 LEU 5 13.476 -3.048 6.845 51 H VAL 6 H VAL 6 12.630 1.800 10.106 52 HA VAL 6 HA VAL 6 15.301 2.748 9.194 53 HB VAL 6 HB VAL 6 13.644 3.592 11.588 54 HG11 VAL 6 HG11 VAL 6 15.700 4.206 12.313 55 HG12 VAL 6 HG12 VAL 6 16.387 4.231 10.688 56 HG13 VAL 6 HG13 VAL 6 15.403 5.582 11.252 57 HG21 VAL 6 HG21 VAL 6 14.113 5.638 9.630 58 HG22 VAL 6 HG22 VAL 6 13.353 4.238 8.872 59 HG23 VAL 6 HG23 VAL 6 12.584 5.020 10.254 60 H ILE 7 H ILE 7 17.180 2.384 10.336 61 HA ILE 7 HA ILE 7 16.960 0.217 12.389 62 HB ILE 7 HB ILE 7 19.245 0.851 10.503 63 HG12 ILE 7 HG12 ILE 7 17.607 -1.676 10.644 64 HG13 ILE 7 HG13 ILE 7 17.141 -0.321 9.621 65 HG21 ILE 7 HG21 ILE 7 18.998 -1.274 12.629 66 HG22 ILE 7 HG22 ILE 7 20.291 -1.178 11.435 67 HG23 ILE 7 HG23 ILE 7 20.104 0.099 12.635 68 HD11 ILE 7 HD11 ILE 7 18.831 -2.408 8.956 69 HD12 ILE 7 HD12 ILE 7 18.596 -0.909 8.058 70 HD13 ILE 7 HD13 ILE 7 19.908 -1.039 9.228 71 H ASN 8 H ASN 8 16.828 1.433 14.237 72 HA ASN 8 HA ASN 8 18.945 3.467 14.687 73 HB2 ASN 8 HB2 ASN 8 16.287 3.510 15.284 74 HB3 ASN 8 HB3 ASN 8 16.950 2.936 16.811 75 HD21 ASN 8 HD21 ASN 8 19.114 4.220 17.314 76 HD22 ASN 8 HD22 ASN 8 18.918 5.937 17.277 77 H GLY 9 H GLY 9 20.081 1.033 14.545 78 HA2 GLY 9 HA2 GLY 9 20.169 -0.278 17.135 79 HA3 GLY 9 HA3 GLY 9 21.224 -0.588 15.764 80 H LYS 10 H LYS 10 22.935 -0.806 17.339 81 HA LYS 10 HA LYS 10 23.726 1.675 18.726 82 HB2 LYS 10 HB2 LYS 10 23.993 -0.988 19.339 83 HB3 LYS 10 HB3 LYS 10 25.597 -0.604 18.727 84 HG2 LYS 10 HG2 LYS 10 25.586 -0.306 21.098 85 HG3 LYS 10 HG3 LYS 10 25.706 1.281 20.333 86 HD2 LYS 10 HD2 LYS 10 23.069 1.181 20.550 87 HD3 LYS 10 HD3 LYS 10 23.460 0.064 21.860 88 HE2 LYS 10 HE2 LYS 10 24.877 2.686 21.693 89 HE3 LYS 10 HE3 LYS 10 23.230 2.633 22.319 90 HZ1 LYS 10 HZ1 LYS 10 24.674 0.583 23.541 91 HZ2 LYS 10 HZ2 LYS 10 24.042 1.980 24.255 92 HZ3 LYS 10 HZ3 LYS 10 25.618 1.983 23.640 93 H THR 11 H THR 11 25.000 -0.526 16.211 94 HA THR 11 HA THR 11 26.888 1.667 15.440 95 HB THR 11 HB THR 11 28.334 -0.032 14.472 96 HG1 THR 11 HG1 THR 11 27.700 -2.056 14.203 97 HG21 THR 11 HG21 THR 11 28.273 0.507 17.020 98 HG22 THR 11 HG22 THR 11 29.238 -0.853 16.444 99 HG23 THR 11 HG23 THR 11 27.656 -1.138 17.170 100 H LEU 12 H LEU 12 25.005 -1.079 14.091 101 HA LEU 12 HA LEU 12 25.162 -0.054 11.394 102 HB2 LEU 12 HB2 LEU 12 24.841 -2.398 11.753 103 HB3 LEU 12 HB3 LEU 12 23.391 -2.113 12.714 104 HG LEU 12 HG LEU 12 22.152 -1.465 10.765 105 HD11 LEU 12 HD11 LEU 12 23.437 -0.300 9.304 106 HD12 LEU 12 HD12 LEU 12 23.513 -1.875 8.515 107 HD13 LEU 12 HD13 LEU 12 24.845 -1.337 9.538 108 HD21 LEU 12 HD21 LEU 12 23.344 -4.025 11.106 109 HD22 LEU 12 HD22 LEU 12 23.198 -3.702 9.378 110 HD23 LEU 12 HD23 LEU 12 21.773 -3.621 10.414 111 H LYS 13 H LYS 13 24.053 1.519 10.469 112 HA LYS 13 HA LYS 13 21.322 2.110 11.493 113 HB2 LYS 13 HB2 LYS 13 23.262 4.333 10.859 114 HB3 LYS 13 HB3 LYS 13 21.720 4.432 11.698 115 HG2 LYS 13 HG2 LYS 13 22.851 2.940 13.474 116 HG3 LYS 13 HG3 LYS 13 24.357 3.453 12.709 117 HD2 LYS 13 HD2 LYS 13 24.206 5.544 13.533 118 HD3 LYS 13 HD3 LYS 13 22.460 5.622 13.285 119 HE2 LYS 13 HE2 LYS 13 22.123 4.243 15.281 120 HE3 LYS 13 HE3 LYS 13 23.867 4.173 15.527 121 HZ1 LYS 13 HZ1 LYS 13 23.495 6.800 15.403 122 HZ2 LYS 13 HZ2 LYS 13 23.444 5.925 16.849 123 HZ3 LYS 13 HZ3 LYS 13 22.006 6.337 16.060 124 H GLY 14 H GLY 14 19.900 3.028 9.991 125 HA2 GLY 14 HA2 GLY 14 20.379 4.118 7.531 126 HA3 GLY 14 HA3 GLY 14 20.616 2.404 7.223 127 H GLU 15 H GLU 15 18.761 3.254 5.704 128 HA GLU 15 HA GLU 15 16.252 2.389 7.055 129 HB2 GLU 15 HB2 GLU 15 16.153 4.602 5.027 130 HB3 GLU 15 HB3 GLU 15 14.989 4.183 6.276 131 HG2 GLU 15 HG2 GLU 15 16.548 5.010 7.983 132 HG3 GLU 15 HG3 GLU 15 17.672 5.475 6.708 133 H THR 16 H THR 16 14.564 1.698 5.537 134 HA THR 16 HA THR 16 15.440 1.117 2.791 135 HB THR 16 HB THR 16 16.386 -0.759 4.170 136 HG1 THR 16 HG1 THR 16 15.971 -2.071 2.530 137 HG21 THR 16 HG21 THR 16 14.511 -0.819 5.821 138 HG22 THR 16 HG22 THR 16 14.926 -2.397 5.149 139 HG23 THR 16 HG23 THR 16 13.498 -1.539 4.570 140 H THR 17 H THR 17 13.672 -0.417 1.749 141 HA THR 17 HA THR 17 10.996 0.286 2.842 142 HB THR 17 HB THR 17 10.268 0.862 0.474 143 HG1 THR 17 HG1 THR 17 11.741 0.960 -1.050 144 HG21 THR 17 HG21 THR 17 10.358 2.989 1.150 145 HG22 THR 17 HG22 THR 17 12.116 3.022 1.013 146 HG23 THR 17 HG23 THR 17 11.358 2.442 2.496 147 H THR 18 H THR 18 9.230 -0.925 1.846 148 HA THR 18 HA THR 18 10.002 -3.278 0.253 149 HB THR 18 HB THR 18 10.389 -3.903 2.683 150 HG1 THR 18 HG1 THR 18 9.326 -5.924 2.381 151 HG21 THR 18 HG21 THR 18 7.373 -3.836 2.808 152 HG22 THR 18 HG22 THR 18 8.431 -2.654 3.578 153 HG23 THR 18 HG23 THR 18 8.478 -4.342 4.086 154 H LYS 19 H LYS 19 8.313 -4.197 -0.865 155 HA LYS 19 HA LYS 19 5.734 -2.708 -0.617 156 HB2 LYS 19 HB2 LYS 19 6.731 -2.420 -2.786 157 HB3 LYS 19 HB3 LYS 19 7.017 -4.148 -2.952 158 HG2 LYS 19 HG2 LYS 19 4.252 -3.810 -2.516 159 HG3 LYS 19 HG3 LYS 19 4.740 -2.622 -3.726 160 HD2 LYS 19 HD2 LYS 19 5.315 -5.583 -3.836 161 HD3 LYS 19 HD3 LYS 19 4.063 -4.744 -4.754 162 HE2 LYS 19 HE2 LYS 19 6.327 -3.293 -5.327 163 HE3 LYS 19 HE3 LYS 19 6.932 -4.946 -5.242 164 HZ1 LYS 19 HZ1 LYS 19 4.637 -4.059 -6.904 165 HZ2 LYS 19 HZ2 LYS 19 5.296 -5.616 -6.860 166 HZ3 LYS 19 HZ3 LYS 19 6.205 -4.331 -7.480 167 H ALA 20 H ALA 20 4.291 -3.782 0.552 168 HA ALA 20 HA ALA 20 3.961 -6.693 -0.048 169 HB1 ALA 20 HB1 ALA 20 4.803 -5.579 2.402 170 HB2 ALA 20 HB2 ALA 20 3.135 -6.105 2.637 171 HB3 ALA 20 HB3 ALA 20 4.350 -7.250 2.067 172 H VAL 21 H VAL 21 1.817 -7.547 0.374 173 HA VAL 21 HA VAL 21 -0.224 -5.542 -0.352 174 HB VAL 21 HB VAL 21 -0.729 -8.487 0.041 175 HG11 VAL 21 HG11 VAL 21 -2.134 -6.198 -1.118 176 HG12 VAL 21 HG12 VAL 21 -2.128 -7.634 -2.144 177 HG13 VAL 21 HG13 VAL 21 -2.765 -7.725 -0.501 178 HG21 VAL 21 HG21 VAL 21 0.706 -7.125 -2.205 179 HG22 VAL 21 HG22 VAL 21 1.093 -8.640 -1.388 180 HG23 VAL 21 HG23 VAL 21 -0.268 -8.564 -2.508 181 H ASP 22 H ASP 22 1.087 -6.257 2.465 182 HA ASP 22 HA ASP 22 -1.145 -5.364 4.000 183 HB2 ASP 22 HB2 ASP 22 -1.995 -7.647 3.575 184 HB3 ASP 22 HB3 ASP 22 -0.532 -8.322 4.288 185 H ALA 23 H ALA 23 -0.544 -4.731 6.032 186 HA ALA 23 HA ALA 23 2.205 -4.347 6.540 187 HB1 ALA 23 HB1 ALA 23 1.189 -2.921 7.918 188 HB2 ALA 23 HB2 ALA 23 -0.305 -3.860 7.915 189 HB3 ALA 23 HB3 ALA 23 0.992 -4.269 9.038 190 H GLU 24 H GLU 24 0.164 -7.095 7.137 191 HA GLU 24 HA GLU 24 1.840 -8.253 9.211 192 HB2 GLU 24 HB2 GLU 24 -0.459 -8.909 9.138 193 HB3 GLU 24 HB3 GLU 24 -0.347 -9.369 7.445 194 HG2 GLU 24 HG2 GLU 24 1.167 -11.200 8.058 195 HG3 GLU 24 HG3 GLU 24 0.997 -10.753 9.755 196 H THR 25 H THR 25 1.221 -9.141 5.784 197 HA THR 25 HA THR 25 3.272 -11.096 5.638 198 HB THR 25 HB THR 25 1.469 -10.838 3.955 199 HG1 THR 25 HG1 THR 25 3.028 -11.005 2.084 200 HG21 THR 25 HG21 THR 25 3.048 -8.393 3.159 201 HG22 THR 25 HG22 THR 25 1.365 -8.462 3.682 202 HG23 THR 25 HG23 THR 25 1.836 -9.156 2.131 203 H ALA 26 H ALA 26 3.380 -7.608 5.488 204 HA ALA 26 HA ALA 26 5.975 -7.446 4.208 205 HB1 ALA 26 HB1 ALA 26 4.004 -5.660 4.681 206 HB2 ALA 26 HB2 ALA 26 5.128 -5.233 5.972 207 HB3 ALA 26 HB3 ALA 26 5.665 -5.211 4.292 208 H GLU 27 H GLU 27 4.820 -7.262 7.589 209 HA GLU 27 HA GLU 27 7.298 -6.693 8.805 210 HB2 GLU 27 HB2 GLU 27 5.278 -6.603 10.091 211 HB3 GLU 27 HB3 GLU 27 4.926 -8.298 9.781 212 HG2 GLU 27 HG2 GLU 27 6.676 -9.018 11.195 213 HG3 GLU 27 HG3 GLU 27 7.352 -7.394 11.301 214 H LYS 28 H LYS 28 6.029 -9.692 7.492 215 HA LYS 28 HA LYS 28 7.853 -11.471 8.796 216 HB2 LYS 28 HB2 LYS 28 5.828 -11.605 6.759 217 HB3 LYS 28 HB3 LYS 28 7.252 -12.479 6.210 218 HG2 LYS 28 HG2 LYS 28 6.452 -14.200 7.368 219 HG3 LYS 28 HG3 LYS 28 6.980 -13.327 8.808 220 HD2 LYS 28 HD2 LYS 28 4.864 -12.679 9.357 221 HD3 LYS 28 HD3 LYS 28 4.328 -12.624 7.677 222 HE2 LYS 28 HE2 LYS 28 3.730 -14.809 7.657 223 HE3 LYS 28 HE3 LYS 28 5.039 -15.287 8.737 224 HZ1 LYS 28 HZ1 LYS 28 2.497 -15.220 9.477 225 HZ2 LYS 28 HZ2 LYS 28 2.943 -13.646 9.907 226 HZ3 LYS 28 HZ3 LYS 28 3.774 -14.968 10.558 227 H ALA 29 H ALA 29 8.068 -9.497 5.869 228 HA ALA 29 HA ALA 29 10.579 -10.711 5.018 229 HB1 ALA 29 HB1 ALA 29 10.606 -8.880 3.361 230 HB2 ALA 29 HB2 ALA 29 9.075 -9.755 3.376 231 HB3 ALA 29 HB3 ALA 29 9.192 -8.171 4.141 232 H PHE 30 H PHE 30 9.602 -8.155 7.162 233 HA PHE 30 HA PHE 30 12.136 -6.736 7.094 234 HB2 PHE 30 HB2 PHE 30 9.680 -6.659 8.823 235 HB3 PHE 30 HB3 PHE 30 11.142 -5.835 9.354 236 HD1 PHE 30 HD2 PHE 30 12.218 -4.770 6.867 237 HD2 PHE 30 HD1 PHE 30 8.189 -5.006 8.218 238 HE1 PHE 30 HE2 PHE 30 11.637 -2.836 5.462 239 HE2 PHE 30 HE1 PHE 30 7.601 -3.073 6.815 240 HZ PHE 30 HZ PHE 30 9.327 -1.984 5.435 241 H LYS 31 H LYS 31 10.860 -9.514 8.757 242 HA LYS 31 HA LYS 31 12.841 -9.442 10.902 243 HB2 LYS 31 HB2 LYS 31 10.449 -10.607 10.735 244 HB3 LYS 31 HB3 LYS 31 11.410 -11.957 10.144 245 HG2 LYS 31 HG2 LYS 31 11.865 -12.515 12.233 246 HG3 LYS 31 HG3 LYS 31 12.710 -10.980 12.444 247 HD2 LYS 31 HD2 LYS 31 9.739 -11.352 12.805 248 HD3 LYS 31 HD3 LYS 31 10.914 -11.386 14.122 249 HE2 LYS 31 HE2 LYS 31 10.418 -9.189 14.252 250 HE3 LYS 31 HE3 LYS 31 11.595 -9.064 12.946 251 HZ1 LYS 31 HZ1 LYS 31 8.764 -9.539 12.305 252 HZ2 LYS 31 HZ2 LYS 31 9.959 -8.781 11.379 253 HZ3 LYS 31 HZ3 LYS 31 9.274 -7.975 12.698 254 H GLN 32 H GLN 32 13.116 -9.983 7.668 255 HA GLN 32 HA GLN 32 15.045 -12.218 7.931 256 HB2 GLN 32 HB2 GLN 32 13.325 -12.128 6.080 257 HB3 GLN 32 HB3 GLN 32 14.202 -10.755 5.419 258 HG2 GLN 32 HG2 GLN 32 15.653 -12.085 4.414 259 HG3 GLN 32 HG3 GLN 32 16.005 -12.928 5.922 260 HE21 GLN 32 HE21 GLN 32 13.250 -12.695 3.690 261 HE22 GLN 32 HE22 GLN 32 12.994 -14.399 3.560 262 H TYR 33 H TYR 33 14.921 -8.920 6.517 263 HA TYR 33 HA TYR 33 17.639 -8.671 5.900 264 HB2 TYR 33 HB2 TYR 33 15.832 -7.039 5.326 265 HB3 TYR 33 HB3 TYR 33 15.862 -6.468 6.991 266 HD1 TYR 33 HD1 TYR 33 17.795 -5.212 7.839 267 HD2 TYR 33 HD2 TYR 33 17.562 -6.431 3.769 268 HE1 TYR 33 HE1 TYR 33 19.587 -3.627 7.267 269 HE2 TYR 33 HE2 TYR 33 19.354 -4.850 3.187 270 HH TYR 33 HH TYR 33 20.330 -2.374 5.153 271 H ALA 34 H ALA 34 16.124 -7.212 8.812 272 HA ALA 34 HA ALA 34 18.438 -6.540 10.174 273 HB1 ALA 34 HB1 ALA 34 15.666 -7.031 10.871 274 HB2 ALA 34 HB2 ALA 34 16.756 -7.470 12.187 275 HB3 ALA 34 HB3 ALA 34 16.800 -5.841 11.512 276 H ASN 35 H ASN 35 16.663 -9.647 10.522 277 HA ASN 35 HA ASN 35 18.419 -10.895 12.302 278 HB2 ASN 35 HB2 ASN 35 16.543 -11.857 10.185 279 HB3 ASN 35 HB3 ASN 35 17.673 -13.024 10.864 280 HD21 ASN 35 HD21 ASN 35 15.850 -14.136 11.706 281 HD22 ASN 35 HD22 ASN 35 15.077 -13.587 13.151 282 H ASP 36 H ASP 36 18.538 -10.920 8.721 283 HA ASP 36 HA ASP 36 20.832 -12.549 8.465 284 HB2 ASP 36 HB2 ASP 36 19.154 -11.364 6.716 285 HB3 ASP 36 HB3 ASP 36 20.538 -10.286 6.557 286 H ASN 37 H ASN 37 20.497 -9.231 9.468 287 HA ASN 37 HA ASN 37 23.436 -8.829 9.208 288 HB2 ASN 37 HB2 ASN 37 21.163 -6.901 9.757 289 HB3 ASN 37 HB3 ASN 37 22.863 -6.444 9.801 290 HD21 ASN 37 HD21 ASN 37 20.141 -7.074 7.844 291 HD22 ASN 37 HD22 ASN 37 20.884 -6.773 6.313 292 H GLY 38 H GLY 38 21.336 -10.111 11.371 293 HA2 GLY 38 HA2 GLY 38 21.677 -10.655 13.605 294 HA3 GLY 38 HA3 GLY 38 23.218 -9.811 13.553 295 H VAL 39 H VAL 39 20.267 -8.203 12.602 296 HA VAL 39 HA VAL 39 20.614 -6.389 14.926 297 HB VAL 39 HB VAL 39 18.747 -6.050 12.569 298 HG11 VAL 39 HG11 VAL 39 18.093 -4.180 13.571 299 HG12 VAL 39 HG12 VAL 39 19.045 -4.644 14.983 300 HG13 VAL 39 HG13 VAL 39 19.763 -3.634 13.727 301 HG21 VAL 39 HG21 VAL 39 20.481 -4.573 11.623 302 HG22 VAL 39 HG22 VAL 39 21.584 -5.077 12.903 303 HG23 VAL 39 HG23 VAL 39 21.007 -6.253 11.722 304 H ASP 40 H ASP 40 19.439 -6.644 16.688 305 HA ASP 40 HA ASP 40 16.682 -7.757 16.361 306 HB2 ASP 40 HB2 ASP 40 18.521 -9.293 17.412 307 HB3 ASP 40 HB3 ASP 40 18.315 -8.274 18.834 308 H GLY 41 H GLY 41 15.062 -6.834 17.549 309 HA2 GLY 41 HA2 GLY 41 15.512 -5.122 19.793 310 HA3 GLY 41 HA3 GLY 41 15.375 -4.141 18.342 311 H VAL 42 H VAL 42 13.495 -3.187 19.331 312 HA VAL 42 HA VAL 42 11.144 -4.996 19.490 313 HB VAL 42 HB VAL 42 11.537 -2.115 20.328 314 HG11 VAL 42 HG11 VAL 42 9.211 -2.583 21.405 315 HG12 VAL 42 HG12 VAL 42 9.311 -2.086 19.714 316 HG13 VAL 42 HG13 VAL 42 9.068 -3.785 20.123 317 HG21 VAL 42 HG21 VAL 42 11.475 -4.740 21.727 318 HG22 VAL 42 HG22 VAL 42 12.505 -3.336 22.006 319 HG23 VAL 42 HG23 VAL 42 10.831 -3.326 22.562 320 H TRP 43 H TRP 43 9.736 -5.169 17.891 321 HA TRP 43 HA TRP 43 9.920 -3.217 15.665 322 HB2 TRP 43 HB2 TRP 43 8.514 -5.895 15.897 323 HB3 TRP 43 HB3 TRP 43 8.497 -4.881 14.458 324 HD1 TRP 43 HD1 TRP 43 10.535 -7.490 16.203 325 HE1 TRP 43 HE1 TRP 43 12.698 -7.937 14.881 326 HE3 TRP 43 HE3 TRP 43 10.323 -3.557 12.943 327 HZ2 TRP 43 HZ2 TRP 43 14.125 -6.776 12.740 328 HZ3 TRP 43 HZ3 TRP 43 12.126 -3.297 11.290 329 HH2 TRP 43 HH2 TRP 43 13.988 -4.874 11.193 330 H THR 44 H THR 44 8.535 -1.607 15.449 331 HA THR 44 HA THR 44 5.779 -1.974 16.529 332 HB THR 44 HB THR 44 5.868 0.465 17.251 333 HG1 THR 44 HG1 THR 44 7.674 1.469 16.829 334 HG21 THR 44 HG21 THR 44 7.332 -0.169 19.333 335 HG22 THR 44 HG22 THR 44 7.316 -1.773 18.601 336 HG23 THR 44 HG23 THR 44 5.799 -0.989 19.042 337 H TYR 45 H TYR 45 4.150 -0.986 15.394 338 HA TYR 45 HA TYR 45 4.774 0.932 13.280 339 HB2 TYR 45 HB2 TYR 45 4.435 -0.359 11.409 340 HB3 TYR 45 HB3 TYR 45 5.178 -1.565 12.455 341 HD1 TYR 45 HD2 TYR 45 3.498 -2.984 13.892 342 HD2 TYR 45 HD1 TYR 45 2.435 -0.865 10.359 343 HE1 TYR 45 HE2 TYR 45 1.533 -4.438 13.618 344 HE2 TYR 45 HE1 TYR 45 0.467 -2.313 10.075 345 HH TYR 45 HH TYR 45 0.000 -5.001 11.086 346 H ASP 46 H ASP 46 2.989 2.052 12.553 347 HA ASP 46 HA ASP 46 0.459 1.376 13.999 348 HB2 ASP 46 HB2 ASP 46 1.130 3.477 14.793 349 HB3 ASP 46 HB3 ASP 46 1.721 3.997 13.218 350 H ASP 47 H ASP 47 -1.342 0.973 12.884 351 HA ASP 47 HA ASP 47 -1.313 0.378 10.157 352 HB2 ASP 47 HB2 ASP 47 -3.161 -0.468 11.265 353 HB3 ASP 47 HB3 ASP 47 -3.484 1.042 12.114 354 H ALA 48 H ALA 48 -2.424 3.404 11.720 355 HA ALA 48 HA ALA 48 -3.293 4.782 9.457 356 HB1 ALA 48 HB1 ALA 48 -2.640 5.416 12.132 357 HB2 ALA 48 HB2 ALA 48 -1.817 6.595 11.111 358 HB3 ALA 48 HB3 ALA 48 -3.562 6.379 10.976 359 H THR 49 H THR 49 0.037 4.406 10.674 360 HA THR 49 HA THR 49 1.001 5.788 8.209 361 HB THR 49 HB THR 49 1.793 6.643 10.434 362 HG1 THR 49 HG1 THR 49 4.103 6.496 9.741 363 HG21 THR 49 HG21 THR 49 3.648 4.326 10.643 364 HG22 THR 49 HG22 THR 49 2.002 4.128 11.247 365 HG23 THR 49 HG23 THR 49 3.034 5.400 11.900 366 H LYS 50 H LYS 50 3.505 4.855 7.922 367 HA LYS 50 HA LYS 50 3.351 1.896 7.852 368 HB2 LYS 50 HB2 LYS 50 4.031 3.477 5.363 369 HB3 LYS 50 HB3 LYS 50 3.806 1.738 5.508 370 HG2 LYS 50 HG2 LYS 50 1.602 3.715 6.021 371 HG3 LYS 50 HG3 LYS 50 1.924 3.018 4.432 372 HD2 LYS 50 HD2 LYS 50 1.851 0.915 6.356 373 HD3 LYS 50 HD3 LYS 50 0.414 1.919 6.562 374 HE2 LYS 50 HE2 LYS 50 1.357 0.683 3.976 375 HE3 LYS 50 HE3 LYS 50 0.024 0.100 4.972 376 HZ1 LYS 50 HZ1 LYS 50 -0.750 2.594 4.618 377 HZ2 LYS 50 HZ2 LYS 50 -1.145 1.363 3.528 378 HZ3 LYS 50 HZ3 LYS 50 0.143 2.407 3.194 379 H THR 51 H THR 51 4.890 3.514 9.520 380 HA THR 51 HA THR 51 7.614 3.202 8.319 381 HB THR 51 HB THR 51 6.654 5.096 10.481 382 HG1 THR 51 HG1 THR 51 6.462 5.487 8.048 383 HG21 THR 51 HG21 THR 51 9.197 5.860 9.969 384 HG22 THR 51 HG22 THR 51 9.350 4.110 9.804 385 HG23 THR 51 HG23 THR 51 8.740 4.805 11.305 386 H PHE 52 H PHE 52 8.911 1.716 9.155 387 HA PHE 52 HA PHE 52 8.168 0.617 11.837 388 HB2 PHE 52 HB2 PHE 52 9.454 -0.696 9.430 389 HB3 PHE 52 HB3 PHE 52 9.429 -1.439 11.026 390 HD1 PHE 52 HD2 PHE 52 7.035 0.199 8.674 391 HD2 PHE 52 HD1 PHE 52 7.776 -2.970 11.417 392 HE1 PHE 52 HE2 PHE 52 4.804 -0.726 8.203 393 HE2 PHE 52 HE1 PHE 52 5.547 -3.901 10.950 394 HZ PHE 52 HZ PHE 52 4.057 -2.778 9.342 395 H THR 53 H THR 53 9.747 0.241 13.368 396 HA THR 53 HA THR 53 12.511 1.099 12.682 397 HB THR 53 HB THR 53 11.019 2.152 15.102 398 HG1 THR 53 HG1 THR 53 11.515 3.222 12.544 399 HG21 THR 53 HG21 THR 53 13.019 3.621 15.303 400 HG22 THR 53 HG22 THR 53 13.783 2.691 14.014 401 HG23 THR 53 HG23 THR 53 13.376 1.912 15.543 402 H VAL 54 H VAL 54 14.140 0.256 14.008 403 HA VAL 54 HA VAL 54 13.222 -1.765 16.007 404 HB VAL 54 HB VAL 54 13.751 -3.003 13.987 405 HG11 VAL 54 HG11 VAL 54 16.584 -2.509 13.826 406 HG12 VAL 54 HG12 VAL 54 15.356 -2.423 12.562 407 HG13 VAL 54 HG13 VAL 54 15.674 -1.019 13.581 408 HG21 VAL 54 HG21 VAL 54 16.129 -3.371 15.776 409 HG22 VAL 54 HG22 VAL 54 14.500 -3.767 16.322 410 HG23 VAL 54 HG23 VAL 54 15.186 -4.592 14.922 411 H THR 55 H THR 55 14.115 -1.443 17.917 412 HA THR 55 HA THR 55 16.743 -0.012 17.985 413 HB THR 55 HB THR 55 14.959 1.307 19.004 414 HG1 THR 55 HG1 THR 55 15.921 1.361 21.199 415 HG21 THR 55 HG21 THR 55 13.973 -1.157 19.868 416 HG22 THR 55 HG22 THR 55 13.323 0.438 20.250 417 HG23 THR 55 HG23 THR 55 14.479 -0.328 21.339 418 H GLU 56 H GLU 56 18.440 -1.043 18.801 419 HA GLU 56 HA GLU 56 18.075 -3.752 19.834 420 HB2 GLU 56 HB2 GLU 56 20.469 -1.999 19.288 421 HB3 GLU 56 HB3 GLU 56 20.635 -3.542 20.112 422 HG2 GLU 56 HG2 GLU 56 19.955 -4.754 18.241 423 HG3 GLU 56 HG3 GLU 56 19.248 -3.336 17.468 Start of MODEL 2 1 H1 MET 1 H MET 1 1.370 1.967 -1.911 2 HA MET 1 HA MET 1 1.045 0.362 0.419 3 HB2 MET 1 HB2 MET 1 1.526 -0.188 -2.484 4 HB3 MET 1 HB3 MET 1 1.701 -1.493 -1.318 5 HG2 MET 1 HG2 MET 1 -0.478 -1.773 -1.878 6 HG3 MET 1 HG3 MET 1 -0.665 -0.650 -0.533 7 HE1 MET 1 HE1 MET 1 -2.852 -0.788 -3.781 8 HE2 MET 1 HE2 MET 1 -1.516 -0.358 -4.849 9 HE3 MET 1 HE3 MET 1 -1.348 -1.709 -3.726 10 H GLN 2 H GLN 2 3.404 2.157 0.332 11 HA GLN 2 HA GLN 2 5.512 0.053 0.626 12 HB2 GLN 2 HB2 GLN 2 6.721 2.608 0.451 13 HB3 GLN 2 HB3 GLN 2 6.792 1.294 -0.716 14 HG2 GLN 2 HG2 GLN 2 4.734 2.149 -1.763 15 HG3 GLN 2 HG3 GLN 2 4.746 3.499 -0.629 16 HE21 GLN 2 HE21 GLN 2 7.274 4.309 -0.549 17 HE22 GLN 2 HE22 GLN 2 7.824 4.816 -2.106 18 H TYR 3 H TYR 3 6.661 -0.065 2.486 19 HA TYR 3 HA TYR 3 5.842 1.867 4.620 20 HB2 TYR 3 HB2 TYR 3 6.906 -0.921 5.099 21 HB3 TYR 3 HB3 TYR 3 6.037 0.125 6.217 22 HD1 TYR 3 HD2 TYR 3 5.678 -1.990 3.207 23 HD2 TYR 3 HD1 TYR 3 3.662 0.142 6.288 24 HE1 TYR 3 HE2 TYR 3 3.564 -3.069 2.563 25 HE2 TYR 3 HE1 TYR 3 1.542 -0.932 5.653 26 HH TYR 3 HH TYR 3 0.633 -2.644 4.453 27 H LYS 4 H LYS 4 7.426 2.381 6.257 28 HA LYS 4 HA LYS 4 10.176 2.384 5.091 29 HB2 LYS 4 HB2 LYS 4 8.734 4.530 5.795 30 HB3 LYS 4 HB3 LYS 4 9.443 4.172 7.364 31 HG2 LYS 4 HG2 LYS 4 10.789 5.791 6.182 32 HG3 LYS 4 HG3 LYS 4 11.680 4.279 6.366 33 HD2 LYS 4 HD2 LYS 4 11.802 3.958 4.151 34 HD3 LYS 4 HD3 LYS 4 10.114 4.412 3.904 35 HE2 LYS 4 HE2 LYS 4 12.405 6.333 4.309 36 HE3 LYS 4 HE3 LYS 4 11.671 5.933 2.757 37 HZ1 LYS 4 HZ1 LYS 4 9.631 6.693 4.505 38 HZ2 LYS 4 HZ2 LYS 4 10.169 7.497 3.118 39 HZ3 LYS 4 HZ3 LYS 4 10.853 7.857 4.623 40 H LEU 5 H LEU 5 11.976 1.907 6.364 41 HA LEU 5 HA LEU 5 11.323 0.578 8.964 42 HB2 LEU 5 HB2 LEU 5 11.788 -1.198 7.511 43 HB3 LEU 5 HB3 LEU 5 13.087 -0.323 6.703 44 HG LEU 5 HG LEU 5 14.559 -0.659 8.558 45 HD11 LEU 5 HD11 LEU 5 12.056 -1.373 9.961 46 HD12 LEU 5 HD12 LEU 5 13.478 -0.506 10.541 47 HD13 LEU 5 HD13 LEU 5 13.510 -2.265 10.410 48 HD21 LEU 5 HD21 LEU 5 15.035 -2.684 7.790 49 HD22 LEU 5 HD22 LEU 5 13.437 -2.759 7.048 50 HD23 LEU 5 HD23 LEU 5 13.680 -3.373 8.684 51 H VAL 6 H VAL 6 12.160 1.714 10.570 52 HA VAL 6 HA VAL 6 14.763 3.101 10.079 53 HB VAL 6 HB VAL 6 12.651 3.665 12.179 54 HG11 VAL 6 HG11 VAL 6 15.284 5.000 11.574 55 HG12 VAL 6 HG12 VAL 6 14.026 5.715 12.585 56 HG13 VAL 6 HG13 VAL 6 14.800 4.206 13.072 57 HG21 VAL 6 HG21 VAL 6 11.643 4.709 10.472 58 HG22 VAL 6 HG22 VAL 6 12.918 5.915 10.645 59 HG23 VAL 6 HG23 VAL 6 13.079 4.627 9.451 60 H ILE 7 H ILE 7 16.505 2.230 10.952 61 HA ILE 7 HA ILE 7 16.124 0.398 13.278 62 HB ILE 7 HB ILE 7 18.454 0.650 11.358 63 HG12 ILE 7 HG12 ILE 7 16.823 -1.824 11.627 64 HG13 ILE 7 HG13 ILE 7 16.093 -0.467 10.775 65 HG21 ILE 7 HG21 ILE 7 18.709 -1.739 12.691 66 HG22 ILE 7 HG22 ILE 7 19.628 -0.271 13.018 67 HG23 ILE 7 HG23 ILE 7 18.181 -0.632 13.958 68 HD11 ILE 7 HD11 ILE 7 17.075 -1.551 9.037 69 HD12 ILE 7 HD12 ILE 7 18.398 -0.481 9.501 70 HD13 ILE 7 HD13 ILE 7 18.402 -2.166 10.022 71 H ASN 8 H ASN 8 17.068 0.752 15.208 72 HA ASN 8 HA ASN 8 18.822 3.169 15.396 73 HB2 ASN 8 HB2 ASN 8 16.434 2.345 16.961 74 HB3 ASN 8 HB3 ASN 8 17.779 2.998 17.891 75 HD21 ASN 8 HD21 ASN 8 18.786 4.983 16.598 76 HD22 ASN 8 HD22 ASN 8 17.620 6.189 16.186 77 H GLY 9 H GLY 9 20.406 1.310 14.929 78 HA2 GLY 9 HA2 GLY 9 20.950 -0.354 17.303 79 HA3 GLY 9 HA3 GLY 9 21.788 -0.418 15.759 80 H LYS 10 H LYS 10 23.350 -0.612 17.888 81 HA LYS 10 HA LYS 10 24.237 2.040 18.766 82 HB2 LYS 10 HB2 LYS 10 24.392 -0.489 19.836 83 HB3 LYS 10 HB3 LYS 10 26.029 -0.250 19.239 84 HG2 LYS 10 HG2 LYS 10 26.421 0.782 21.167 85 HG3 LYS 10 HG3 LYS 10 25.483 2.126 20.510 86 HD2 LYS 10 HD2 LYS 10 23.626 1.611 21.746 87 HD3 LYS 10 HD3 LYS 10 24.014 -0.110 21.813 88 HE2 LYS 10 HE2 LYS 10 25.777 0.326 23.422 89 HE3 LYS 10 HE3 LYS 10 25.482 2.061 23.309 90 HZ1 LYS 10 HZ1 LYS 10 23.106 1.409 24.024 91 HZ2 LYS 10 HZ2 LYS 10 24.325 1.473 25.194 92 HZ3 LYS 10 HZ3 LYS 10 23.827 -0.020 24.574 93 H THR 11 H THR 11 24.881 -0.111 16.160 94 HA THR 11 HA THR 11 27.267 1.550 15.448 95 HB THR 11 HB THR 11 28.260 -0.393 14.347 96 HG1 THR 11 HG1 THR 11 26.913 -1.942 13.836 97 HG21 THR 11 HG21 THR 11 27.520 -0.675 17.243 98 HG22 THR 11 HG22 THR 11 29.052 -0.162 16.537 99 HG23 THR 11 HG23 THR 11 28.561 -1.853 16.446 100 H LEU 12 H LEU 12 24.822 -0.714 14.101 101 HA LEU 12 HA LEU 12 25.040 0.552 11.471 102 HB2 LEU 12 HB2 LEU 12 24.583 -1.892 11.895 103 HB3 LEU 12 HB3 LEU 12 22.970 -1.426 12.430 104 HG LEU 12 HG LEU 12 22.429 -0.610 10.219 105 HD11 LEU 12 HD11 LEU 12 25.264 -1.359 9.522 106 HD12 LEU 12 HD12 LEU 12 24.566 0.260 9.534 107 HD13 LEU 12 HD13 LEU 12 24.017 -0.927 8.351 108 HD21 LEU 12 HD21 LEU 12 23.264 -3.357 10.742 109 HD22 LEU 12 HD22 LEU 12 23.222 -2.949 9.026 110 HD23 LEU 12 HD23 LEU 12 21.778 -2.739 10.019 111 H LYS 13 H LYS 13 23.713 2.007 10.543 112 HA LYS 13 HA LYS 13 21.144 2.653 11.843 113 HB2 LYS 13 HB2 LYS 13 23.483 4.550 11.702 114 HB3 LYS 13 HB3 LYS 13 21.831 5.152 11.716 115 HG2 LYS 13 HG2 LYS 13 21.762 3.453 13.818 116 HG3 LYS 13 HG3 LYS 13 23.442 3.992 13.878 117 HD2 LYS 13 HD2 LYS 13 22.496 6.361 13.663 118 HD3 LYS 13 HD3 LYS 13 20.935 5.638 14.057 119 HE2 LYS 13 HE2 LYS 13 21.610 5.044 16.198 120 HE3 LYS 13 HE3 LYS 13 23.322 5.117 15.785 121 HZ1 LYS 13 HZ1 LYS 13 21.922 7.055 17.064 122 HZ2 LYS 13 HZ2 LYS 13 21.979 7.634 15.476 123 HZ3 LYS 13 HZ3 LYS 13 23.413 7.270 16.295 124 H GLY 14 H GLY 14 20.234 1.857 9.916 125 HA2 GLY 14 HA2 GLY 14 20.442 3.826 7.690 126 HA3 GLY 14 HA3 GLY 14 20.621 2.112 7.347 127 H GLU 15 H GLU 15 18.773 2.898 5.869 128 HA GLU 15 HA GLU 15 16.274 2.096 7.250 129 HB2 GLU 15 HB2 GLU 15 16.150 4.413 5.346 130 HB3 GLU 15 HB3 GLU 15 15.024 3.950 6.614 131 HG2 GLU 15 HG2 GLU 15 16.631 4.678 8.306 132 HG3 GLU 15 HG3 GLU 15 17.750 5.155 7.030 133 H THR 16 H THR 16 14.559 1.457 5.771 134 HA THR 16 HA THR 16 15.318 1.053 2.960 135 HB THR 16 HB THR 16 16.354 -0.887 4.163 136 HG1 THR 16 HG1 THR 16 15.935 -1.489 2.148 137 HG21 THR 16 HG21 THR 16 14.728 -1.166 5.951 138 HG22 THR 16 HG22 THR 16 14.854 -2.652 5.009 139 HG23 THR 16 HG23 THR 16 13.478 -1.575 4.777 140 H THR 17 H THR 17 13.519 -0.503 1.945 141 HA THR 17 HA THR 17 10.889 0.089 3.188 142 HB THR 17 HB THR 17 9.973 0.974 1.090 143 HG1 THR 17 HG1 THR 17 11.124 1.023 -0.707 144 HG21 THR 17 HG21 THR 17 11.179 2.417 2.888 145 HG22 THR 17 HG22 THR 17 10.740 3.150 1.345 146 HG23 THR 17 HG23 THR 17 12.402 2.637 1.638 147 H THR 18 H THR 18 9.082 -1.005 2.014 148 HA THR 18 HA THR 18 9.840 -3.233 0.267 149 HB THR 18 HB THR 18 10.302 -4.022 2.654 150 HG1 THR 18 HG1 THR 18 8.293 -5.619 1.503 151 HG21 THR 18 HG21 THR 18 8.581 -4.418 4.147 152 HG22 THR 18 HG22 THR 18 7.347 -4.414 2.888 153 HG23 THR 18 HG23 THR 18 8.069 -2.896 3.419 154 H LYS 19 H LYS 19 8.137 -4.054 -0.889 155 HA LYS 19 HA LYS 19 5.563 -2.606 -0.473 156 HB2 LYS 19 HB2 LYS 19 6.577 -2.309 -2.670 157 HB3 LYS 19 HB3 LYS 19 6.677 -4.050 -2.896 158 HG2 LYS 19 HG2 LYS 19 4.025 -3.734 -2.418 159 HG3 LYS 19 HG3 LYS 19 4.412 -2.226 -3.250 160 HD2 LYS 19 HD2 LYS 19 5.585 -4.627 -4.464 161 HD3 LYS 19 HD3 LYS 19 3.820 -4.581 -4.486 162 HE2 LYS 19 HE2 LYS 19 4.366 -2.064 -5.267 163 HE3 LYS 19 HE3 LYS 19 5.788 -2.892 -5.900 164 HZ1 LYS 19 HZ1 LYS 19 4.512 -3.427 -7.621 165 HZ2 LYS 19 HZ2 LYS 19 3.091 -2.943 -6.841 166 HZ3 LYS 19 HZ3 LYS 19 3.698 -4.503 -6.599 167 H ALA 20 H ALA 20 4.465 -3.806 1.006 168 HA ALA 20 HA ALA 20 3.959 -6.654 0.228 169 HB1 ALA 20 HB1 ALA 20 4.648 -5.425 2.807 170 HB2 ALA 20 HB2 ALA 20 3.290 -6.550 2.870 171 HB3 ALA 20 HB3 ALA 20 4.849 -7.085 2.244 172 H VAL 21 H VAL 21 1.862 -7.474 0.441 173 HA VAL 21 HA VAL 21 -0.219 -5.655 -0.230 174 HB VAL 21 HB VAL 21 -0.596 -8.408 0.969 175 HG11 VAL 21 HG11 VAL 21 -2.734 -7.732 0.752 176 HG12 VAL 21 HG12 VAL 21 -2.324 -6.454 -0.393 177 HG13 VAL 21 HG13 VAL 21 -2.479 -8.121 -0.949 178 HG21 VAL 21 HG21 VAL 21 0.686 -9.105 -0.740 179 HG22 VAL 21 HG22 VAL 21 -0.743 -8.773 -1.720 180 HG23 VAL 21 HG23 VAL 21 0.545 -7.573 -1.604 181 H ASP 22 H ASP 22 0.786 -7.078 2.858 182 HA ASP 22 HA ASP 22 -0.839 -5.034 4.240 183 HB2 ASP 22 HB2 ASP 22 -1.662 -6.860 5.844 184 HB3 ASP 22 HB3 ASP 22 -2.443 -6.769 4.268 185 H ALA 23 H ALA 23 -0.346 -4.926 6.581 186 HA ALA 23 HA ALA 23 2.404 -4.709 7.045 187 HB1 ALA 23 HB1 ALA 23 0.324 -5.269 9.165 188 HB2 ALA 23 HB2 ALA 23 1.864 -4.433 9.368 189 HB3 ALA 23 HB3 ALA 23 0.580 -3.695 8.410 190 H GLU 24 H GLU 24 0.216 -7.416 7.875 191 HA GLU 24 HA GLU 24 2.008 -9.011 9.306 192 HB2 GLU 24 HB2 GLU 24 -0.259 -9.699 9.149 193 HB3 GLU 24 HB3 GLU 24 -0.214 -9.733 7.392 194 HG2 GLU 24 HG2 GLU 24 0.772 -11.772 7.311 195 HG3 GLU 24 HG3 GLU 24 1.642 -11.536 8.827 196 H THR 25 H THR 25 1.810 -8.440 5.835 197 HA THR 25 HA THR 25 3.697 -10.586 5.204 198 HB THR 25 HB THR 25 2.609 -8.315 3.514 199 HG1 THR 25 HG1 THR 25 2.000 -11.032 3.136 200 HG21 THR 25 HG21 THR 25 4.771 -9.039 2.657 201 HG22 THR 25 HG22 THR 25 3.477 -9.595 1.596 202 HG23 THR 25 HG23 THR 25 4.248 -10.721 2.712 203 H ALA 26 H ALA 26 3.789 -7.118 5.819 204 HA ALA 26 HA ALA 26 6.510 -6.797 4.832 205 HB1 ALA 26 HB1 ALA 26 5.452 -4.785 4.744 206 HB2 ALA 26 HB2 ALA 26 4.491 -5.092 6.191 207 HB3 ALA 26 HB3 ALA 26 6.185 -4.624 6.340 208 H GLU 27 H GLU 27 4.970 -7.582 7.896 209 HA GLU 27 HA GLU 27 7.108 -6.978 9.647 210 HB2 GLU 27 HB2 GLU 27 4.956 -7.551 10.532 211 HB3 GLU 27 HB3 GLU 27 4.980 -9.126 9.753 212 HG2 GLU 27 HG2 GLU 27 5.998 -10.047 11.486 213 HG3 GLU 27 HG3 GLU 27 7.264 -8.820 11.469 214 H LYS 28 H LYS 28 6.275 -10.164 8.205 215 HA LYS 28 HA LYS 28 8.494 -11.591 9.109 216 HB2 LYS 28 HB2 LYS 28 6.610 -11.809 6.848 217 HB3 LYS 28 HB3 LYS 28 8.144 -12.633 6.599 218 HG2 LYS 28 HG2 LYS 28 7.313 -14.339 7.738 219 HG3 LYS 28 HG3 LYS 28 7.376 -13.326 9.182 220 HD2 LYS 28 HD2 LYS 28 5.156 -14.172 9.009 221 HD3 LYS 28 HD3 LYS 28 5.100 -12.466 8.559 222 HE2 LYS 28 HE2 LYS 28 5.044 -13.042 6.218 223 HE3 LYS 28 HE3 LYS 28 5.264 -14.750 6.596 224 HZ1 LYS 28 HZ1 LYS 28 2.960 -13.283 7.696 225 HZ2 LYS 28 HZ2 LYS 28 3.125 -14.939 7.393 226 HZ3 LYS 28 HZ3 LYS 28 2.911 -13.861 6.107 227 H ALA 29 H ALA 29 8.210 -9.705 6.074 228 HA ALA 29 HA ALA 29 10.848 -10.223 5.152 229 HB1 ALA 29 HB1 ALA 29 8.731 -9.011 4.079 230 HB2 ALA 29 HB2 ALA 29 9.628 -7.574 4.575 231 HB3 ALA 29 HB3 ALA 29 10.372 -8.746 3.487 232 H PHE 30 H PHE 30 9.575 -7.314 6.839 233 HA PHE 30 HA PHE 30 12.018 -5.972 7.124 234 HB2 PHE 30 HB2 PHE 30 9.506 -6.030 8.784 235 HB3 PHE 30 HB3 PHE 30 10.888 -5.063 9.291 236 HD1 PHE 30 HD2 PHE 30 11.907 -4.013 6.780 237 HD2 PHE 30 HD1 PHE 30 7.889 -4.548 8.077 238 HE1 PHE 30 HE2 PHE 30 11.187 -2.199 5.282 239 HE2 PHE 30 HE1 PHE 30 7.161 -2.735 6.580 240 HZ PHE 30 HZ PHE 30 8.811 -1.558 5.181 241 H LYS 31 H LYS 31 10.733 -8.706 8.913 242 HA LYS 31 HA LYS 31 12.597 -8.519 11.113 243 HB2 LYS 31 HB2 LYS 31 10.848 -10.733 10.033 244 HB3 LYS 31 HB3 LYS 31 11.925 -10.983 11.401 245 HG2 LYS 31 HG2 LYS 31 10.521 -8.656 12.009 246 HG3 LYS 31 HG3 LYS 31 9.326 -9.752 11.312 247 HD2 LYS 31 HD2 LYS 31 9.448 -10.058 13.718 248 HD3 LYS 31 HD3 LYS 31 10.035 -11.502 12.888 249 HE2 LYS 31 HE2 LYS 31 12.266 -11.032 13.410 250 HE3 LYS 31 HE3 LYS 31 11.916 -9.347 13.792 251 HZ1 LYS 31 HZ1 LYS 31 10.810 -10.006 15.782 252 HZ2 LYS 31 HZ2 LYS 31 12.321 -10.766 15.762 253 HZ3 LYS 31 HZ3 LYS 31 10.926 -11.647 15.385 254 H GLN 32 H GLN 32 12.608 -10.093 7.947 255 HA GLN 32 HA GLN 32 14.851 -11.789 8.373 256 HB2 GLN 32 HB2 GLN 32 13.347 -11.967 6.434 257 HB3 GLN 32 HB3 GLN 32 13.941 -10.430 5.821 258 HG2 GLN 32 HG2 GLN 32 15.274 -11.753 4.594 259 HG3 GLN 32 HG3 GLN 32 16.263 -11.746 6.053 260 HE21 GLN 32 HE21 GLN 32 13.322 -13.458 5.039 261 HE22 GLN 32 HE22 GLN 32 13.915 -15.040 5.398 262 H TYR 33 H TYR 33 14.670 -8.502 6.948 263 HA TYR 33 HA TYR 33 17.401 -8.150 6.433 264 HB2 TYR 33 HB2 TYR 33 15.650 -6.565 5.742 265 HB3 TYR 33 HB3 TYR 33 15.418 -6.073 7.415 266 HD1 TYR 33 HD1 TYR 33 17.213 -4.817 8.592 267 HD2 TYR 33 HD2 TYR 33 17.437 -5.686 4.433 268 HE1 TYR 33 HE1 TYR 33 18.945 -3.091 8.331 269 HE2 TYR 33 HE2 TYR 33 19.171 -3.963 4.161 270 HH TYR 33 HH TYR 33 20.637 -2.633 5.283 271 H ALA 34 H ALA 34 15.637 -7.939 9.481 272 HA ALA 34 HA ALA 34 17.694 -6.646 10.994 273 HB1 ALA 34 HB1 ALA 34 15.886 -8.636 12.287 274 HB2 ALA 34 HB2 ALA 34 16.362 -7.023 12.818 275 HB3 ALA 34 HB3 ALA 34 15.171 -7.211 11.532 276 H ASN 35 H ASN 35 16.774 -10.119 10.830 277 HA ASN 35 HA ASN 35 18.896 -11.088 12.407 278 HB2 ASN 35 HB2 ASN 35 17.015 -12.206 10.425 279 HB3 ASN 35 HB3 ASN 35 18.513 -13.115 10.599 280 HD21 ASN 35 HD21 ASN 35 17.095 -14.791 11.409 281 HD22 ASN 35 HD22 ASN 35 16.629 -14.772 13.073 282 H ASP 36 H ASP 36 18.767 -10.336 8.940 283 HA ASP 36 HA ASP 36 21.139 -11.505 8.065 284 HB2 ASP 36 HB2 ASP 36 19.777 -8.916 7.329 285 HB3 ASP 36 HB3 ASP 36 21.272 -9.409 6.539 286 H ASN 37 H ASN 37 20.713 -8.416 9.792 287 HA ASN 37 HA ASN 37 23.685 -8.213 9.975 288 HB2 ASN 37 HB2 ASN 37 21.538 -6.128 10.485 289 HB3 ASN 37 HB3 ASN 37 23.273 -5.858 10.623 290 HD21 ASN 37 HD21 ASN 37 24.234 -7.159 8.435 291 HD22 ASN 37 HD22 ASN 37 23.656 -6.396 6.996 292 H GLY 38 H GLY 38 21.825 -9.983 11.567 293 HA2 GLY 38 HA2 GLY 38 21.535 -10.588 13.784 294 HA3 GLY 38 HA3 GLY 38 23.129 -9.888 14.027 295 H VAL 39 H VAL 39 20.251 -8.109 13.010 296 HA VAL 39 HA VAL 39 20.551 -6.442 15.447 297 HB VAL 39 HB VAL 39 18.900 -5.998 12.946 298 HG11 VAL 39 HG11 VAL 39 18.984 -3.585 14.003 299 HG12 VAL 39 HG12 VAL 39 17.742 -4.747 14.473 300 HG13 VAL 39 HG13 VAL 39 19.153 -4.497 15.502 301 HG21 VAL 39 HG21 VAL 39 21.450 -4.673 13.862 302 HG22 VAL 39 HG22 VAL 39 21.334 -5.887 12.588 303 HG23 VAL 39 HG23 VAL 39 20.557 -4.317 12.383 304 H ASP 40 H ASP 40 19.321 -6.778 17.158 305 HA ASP 40 HA ASP 40 16.576 -7.870 16.690 306 HB2 ASP 40 HB2 ASP 40 18.455 -9.400 17.773 307 HB3 ASP 40 HB3 ASP 40 18.042 -8.494 19.226 308 H GLY 41 H GLY 41 14.984 -6.657 17.461 309 HA2 GLY 41 HA2 GLY 41 15.377 -5.114 19.925 310 HA3 GLY 41 HA3 GLY 41 15.193 -4.139 18.474 311 H VAL 42 H VAL 42 13.292 -3.232 19.435 312 HA VAL 42 HA VAL 42 10.992 -5.128 19.553 313 HB VAL 42 HB VAL 42 11.336 -3.730 21.544 314 HG11 VAL 42 HG11 VAL 42 11.758 -1.536 21.498 315 HG12 VAL 42 HG12 VAL 42 12.052 -1.755 19.772 316 HG13 VAL 42 HG13 VAL 42 10.468 -1.223 20.338 317 HG21 VAL 42 HG21 VAL 42 9.066 -4.423 20.876 318 HG22 VAL 42 HG22 VAL 42 9.072 -2.893 21.753 319 HG23 VAL 42 HG23 VAL 42 8.878 -2.904 20.001 320 H TRP 43 H TRP 43 9.445 -5.123 18.061 321 HA TRP 43 HA TRP 43 9.670 -3.139 15.880 322 HB2 TRP 43 HB2 TRP 43 7.870 -5.570 16.118 323 HB3 TRP 43 HB3 TRP 43 8.146 -4.611 14.667 324 HD1 TRP 43 HD1 TRP 43 9.709 -7.348 16.789 325 HE1 TRP 43 HE1 TRP 43 11.744 -8.315 15.545 326 HE3 TRP 43 HE3 TRP 43 10.017 -3.955 12.978 327 HZ2 TRP 43 HZ2 TRP 43 13.278 -7.718 13.252 328 HZ3 TRP 43 HZ3 TRP 43 11.797 -4.224 11.300 329 HH2 TRP 43 HH2 TRP 43 13.393 -6.066 11.437 330 H THR 44 H THR 44 8.337 -1.480 15.569 331 HA THR 44 HA THR 44 5.679 -1.533 16.898 332 HB THR 44 HB THR 44 6.129 0.965 17.474 333 HG1 THR 44 HG1 THR 44 8.517 1.004 18.144 334 HG21 THR 44 HG21 THR 44 6.492 0.360 19.659 335 HG22 THR 44 HG22 THR 44 7.705 -0.849 19.237 336 HG23 THR 44 HG23 THR 44 5.993 -1.193 18.990 337 H TYR 45 H TYR 45 4.174 -1.072 15.453 338 HA TYR 45 HA TYR 45 4.721 1.060 13.466 339 HB2 TYR 45 HB2 TYR 45 4.533 -0.235 11.607 340 HB3 TYR 45 HB3 TYR 45 5.102 -1.504 12.685 341 HD1 TYR 45 HD2 TYR 45 3.265 -2.872 13.915 342 HD2 TYR 45 HD1 TYR 45 2.539 -0.516 10.448 343 HE1 TYR 45 HE2 TYR 45 1.226 -4.173 13.465 344 HE2 TYR 45 HE1 TYR 45 0.497 -1.809 9.989 345 HH TYR 45 HH TYR 45 -1.046 -3.631 12.140 346 H ASP 46 H ASP 46 2.955 2.228 12.873 347 HA ASP 46 HA ASP 46 0.424 1.465 14.265 348 HB2 ASP 46 HB2 ASP 46 1.245 3.589 15.031 349 HB3 ASP 46 HB3 ASP 46 1.509 4.153 13.384 350 H ASP 47 H ASP 47 -1.510 1.388 13.197 351 HA ASP 47 HA ASP 47 -1.456 0.693 10.445 352 HB2 ASP 47 HB2 ASP 47 -3.306 -0.145 11.553 353 HB3 ASP 47 HB3 ASP 47 -3.604 1.356 12.425 354 H ALA 48 H ALA 48 -2.551 3.708 12.045 355 HA ALA 48 HA ALA 48 -3.408 5.121 9.806 356 HB1 ALA 48 HB1 ALA 48 -2.925 5.709 12.457 357 HB2 ALA 48 HB2 ALA 48 -1.820 6.785 11.601 358 HB3 ALA 48 HB3 ALA 48 -3.546 6.827 11.242 359 H THR 49 H THR 49 -0.084 4.592 10.944 360 HA THR 49 HA THR 49 0.887 6.044 8.520 361 HB THR 49 HB THR 49 1.713 6.797 10.788 362 HG1 THR 49 HG1 THR 49 4.047 6.546 9.984 363 HG21 THR 49 HG21 THR 49 2.667 5.385 12.233 364 HG22 THR 49 HG22 THR 49 3.738 4.737 10.991 365 HG23 THR 49 HG23 THR 49 2.117 4.073 11.192 366 H LYS 50 H LYS 50 3.361 5.063 8.170 367 HA LYS 50 HA LYS 50 3.118 2.110 8.010 368 HB2 LYS 50 HB2 LYS 50 3.878 3.757 5.589 369 HB3 LYS 50 HB3 LYS 50 3.586 2.025 5.666 370 HG2 LYS 50 HG2 LYS 50 1.456 4.069 6.229 371 HG3 LYS 50 HG3 LYS 50 1.764 3.407 4.621 372 HD2 LYS 50 HD2 LYS 50 1.600 1.232 6.432 373 HD3 LYS 50 HD3 LYS 50 0.226 2.294 6.747 374 HE2 LYS 50 HE2 LYS 50 0.802 1.793 3.907 375 HE3 LYS 50 HE3 LYS 50 0.281 0.382 4.826 376 HZ1 LYS 50 HZ1 LYS 50 -1.323 2.656 5.418 377 HZ2 LYS 50 HZ2 LYS 50 -1.793 1.130 4.859 378 HZ3 LYS 50 HZ3 LYS 50 -1.331 2.328 3.758 379 H THR 51 H THR 51 4.698 3.689 9.726 380 HA THR 51 HA THR 51 7.416 3.189 8.574 381 HB THR 51 HB THR 51 6.553 5.283 10.589 382 HG1 THR 51 HG1 THR 51 7.723 6.537 8.792 383 HG21 THR 51 HG21 THR 51 8.638 4.667 11.405 384 HG22 THR 51 HG22 THR 51 9.044 5.958 10.275 385 HG23 THR 51 HG23 THR 51 9.261 4.273 9.803 386 H PHE 52 H PHE 52 8.717 1.809 9.603 387 HA PHE 52 HA PHE 52 7.755 0.793 12.244 388 HB2 PHE 52 HB2 PHE 52 9.405 -0.513 10.065 389 HB3 PHE 52 HB3 PHE 52 9.194 -1.215 11.665 390 HD1 PHE 52 HD1 PHE 52 7.101 0.215 8.925 391 HD2 PHE 52 HD2 PHE 52 7.547 -2.787 11.909 392 HE1 PHE 52 HE1 PHE 52 5.001 -0.831 8.183 393 HE2 PHE 52 HE2 PHE 52 5.449 -3.838 11.171 394 HZ PHE 52 HZ PHE 52 4.173 -2.860 9.305 395 H THR 53 H THR 53 9.147 0.567 13.968 396 HA THR 53 HA THR 53 11.884 1.700 13.578 397 HB THR 53 HB THR 53 9.982 2.370 15.843 398 HG1 THR 53 HG1 THR 53 10.171 4.484 14.959 399 HG21 THR 53 HG21 THR 53 11.791 3.854 16.626 400 HG22 THR 53 HG22 THR 53 12.849 3.199 15.377 401 HG23 THR 53 HG23 THR 53 12.259 2.155 16.670 402 H VAL 54 H VAL 54 13.420 0.381 14.267 403 HA VAL 54 HA VAL 54 12.682 -1.597 16.392 404 HB VAL 54 HB VAL 54 13.043 -2.759 14.304 405 HG11 VAL 54 HG11 VAL 54 15.808 -1.576 14.177 406 HG12 VAL 54 HG12 VAL 54 14.994 -2.567 12.965 407 HG13 VAL 54 HG13 VAL 54 14.435 -0.924 13.285 408 HG21 VAL 54 HG21 VAL 54 15.614 -3.520 15.331 409 HG22 VAL 54 HG22 VAL 54 14.495 -3.218 16.660 410 HG23 VAL 54 HG23 VAL 54 14.080 -4.387 15.406 411 H THR 55 H THR 55 13.689 -1.299 18.249 412 HA THR 55 HA THR 55 16.291 0.169 18.196 413 HB THR 55 HB THR 55 14.457 -0.247 20.573 414 HG1 THR 55 HG1 THR 55 13.292 1.120 19.371 415 HG21 THR 55 HG21 THR 55 16.920 0.250 20.937 416 HG22 THR 55 HG22 THR 55 15.783 1.376 21.678 417 HG23 THR 55 HG23 THR 55 16.617 1.817 20.188 418 H GLU 56 H GLU 56 18.081 -0.946 18.544 419 HA GLU 56 HA GLU 56 17.866 -3.689 19.597 420 HB2 GLU 56 HB2 GLU 56 19.430 -2.597 17.669 421 HB3 GLU 56 HB3 GLU 56 20.530 -2.511 19.038 422 HG2 GLU 56 HG2 GLU 56 19.923 -4.989 19.395 423 HG3 GLU 56 HG3 GLU 56 19.325 -4.918 17.738 Start of MODEL 3 1 H1 MET 1 H MET 1 0.379 -0.533 0.215 2 HA MET 1 HA MET 1 1.917 -1.151 -1.775 3 HB2 MET 1 HB2 MET 1 1.202 1.628 -0.902 4 HB3 MET 1 HB3 MET 1 2.151 1.379 -2.362 5 HG2 MET 1 HG2 MET 1 0.180 -0.340 -2.859 6 HG3 MET 1 HG3 MET 1 -0.690 0.781 -1.814 7 HE1 MET 1 HE1 MET 1 1.469 1.231 -5.606 8 HE2 MET 1 HE2 MET 1 0.761 -0.201 -4.860 9 HE3 MET 1 HE3 MET 1 -0.183 0.758 -6.001 10 H GLN 2 H GLN 2 3.117 1.578 0.210 11 HA GLN 2 HA GLN 2 5.832 0.369 0.048 12 HB2 GLN 2 HB2 GLN 2 5.163 3.246 -0.635 13 HB3 GLN 2 HB3 GLN 2 6.788 2.588 -0.492 14 HG2 GLN 2 HG2 GLN 2 6.554 1.282 -2.415 15 HG3 GLN 2 HG3 GLN 2 4.799 1.451 -2.421 16 HE21 GLN 2 HE21 GLN 2 4.389 2.426 -4.295 17 HE22 GLN 2 HE22 GLN 2 5.078 3.923 -4.812 18 H TYR 3 H TYR 3 6.584 0.139 2.031 19 HA TYR 3 HA TYR 3 5.725 2.151 4.071 20 HB2 TYR 3 HB2 TYR 3 6.781 -0.592 4.736 21 HB3 TYR 3 HB3 TYR 3 5.775 0.473 5.712 22 HD1 TYR 3 HD1 TYR 3 3.629 1.164 3.813 23 HD2 TYR 3 HD2 TYR 3 5.550 -2.561 4.547 24 HE1 TYR 3 HE1 TYR 3 1.618 -0.019 3.036 25 HE2 TYR 3 HE2 TYR 3 3.544 -3.754 3.771 26 HH TYR 3 HH TYR 3 1.592 -3.462 2.531 27 H LYS 4 H LYS 4 7.311 2.394 5.913 28 HA LYS 4 HA LYS 4 10.068 2.509 4.756 29 HB2 LYS 4 HB2 LYS 4 8.567 4.612 5.604 30 HB3 LYS 4 HB3 LYS 4 9.409 4.206 7.094 31 HG2 LYS 4 HG2 LYS 4 10.612 5.905 5.852 32 HG3 LYS 4 HG3 LYS 4 11.553 4.415 5.944 33 HD2 LYS 4 HD2 LYS 4 11.472 4.080 3.718 34 HD3 LYS 4 HD3 LYS 4 9.798 4.626 3.597 35 HE2 LYS 4 HE2 LYS 4 10.984 6.242 2.413 36 HE3 LYS 4 HE3 LYS 4 10.759 6.978 3.999 37 HZ1 LYS 4 HZ1 LYS 4 13.081 5.733 4.355 38 HZ2 LYS 4 HZ2 LYS 4 12.958 7.331 3.815 39 HZ3 LYS 4 HZ3 LYS 4 13.195 6.079 2.703 40 H LEU 5 H LEU 5 11.844 1.981 6.048 41 HA LEU 5 HA LEU 5 11.228 0.780 8.697 42 HB2 LEU 5 HB2 LEU 5 11.179 -1.178 7.473 43 HB3 LEU 5 HB3 LEU 5 12.369 -0.608 6.306 44 HG LEU 5 HG LEU 5 14.160 -0.990 7.875 45 HD11 LEU 5 HD11 LEU 5 11.979 -1.042 9.788 46 HD12 LEU 5 HD12 LEU 5 13.700 -0.755 10.040 47 HD13 LEU 5 HD13 LEU 5 13.081 -2.405 9.983 48 HD21 LEU 5 HD21 LEU 5 12.838 -2.915 6.570 49 HD22 LEU 5 HD22 LEU 5 12.636 -3.501 8.221 50 HD23 LEU 5 HD23 LEU 5 14.254 -3.232 7.572 51 H VAL 6 H VAL 6 12.359 2.172 9.922 52 HA VAL 6 HA VAL 6 15.104 2.904 9.064 53 HB VAL 6 HB VAL 6 13.573 3.876 11.489 54 HG11 VAL 6 HG11 VAL 6 16.197 4.491 10.273 55 HG12 VAL 6 HG12 VAL 6 15.255 5.861 10.865 56 HG13 VAL 6 HG13 VAL 6 15.685 4.547 11.960 57 HG21 VAL 6 HG21 VAL 6 12.222 4.833 9.967 58 HG22 VAL 6 HG22 VAL 6 13.561 5.961 9.753 59 HG23 VAL 6 HG23 VAL 6 13.370 4.600 8.648 60 H ILE 7 H ILE 7 16.936 2.605 10.366 61 HA ILE 7 HA ILE 7 16.588 0.445 12.410 62 HB ILE 7 HB ILE 7 18.979 0.977 10.627 63 HG12 ILE 7 HG12 ILE 7 17.008 -1.319 10.639 64 HG13 ILE 7 HG13 ILE 7 17.046 -0.021 9.451 65 HG21 ILE 7 HG21 ILE 7 19.633 0.152 12.826 66 HG22 ILE 7 HG22 ILE 7 18.505 -1.193 12.666 67 HG23 ILE 7 HG23 ILE 7 19.896 -1.077 11.589 68 HD11 ILE 7 HD11 ILE 7 19.234 -0.739 8.704 69 HD12 ILE 7 HD12 ILE 7 19.257 -2.004 9.934 70 HD13 ILE 7 HD13 ILE 7 18.081 -2.071 8.621 71 H ASN 8 H ASN 8 16.713 1.308 14.373 72 HA ASN 8 HA ASN 8 18.773 3.429 14.813 73 HB2 ASN 8 HB2 ASN 8 16.195 2.797 16.273 74 HB3 ASN 8 HB3 ASN 8 17.403 3.919 16.893 75 HD21 ASN 8 HD21 ASN 8 18.180 5.398 14.891 76 HD22 ASN 8 HD22 ASN 8 16.865 6.226 14.134 77 H GLY 9 H GLY 9 19.985 1.118 14.698 78 HA2 GLY 9 HA2 GLY 9 19.944 -0.264 17.278 79 HA3 GLY 9 HA3 GLY 9 21.004 -0.603 15.917 80 H LYS 10 H LYS 10 22.656 -0.873 17.575 81 HA LYS 10 HA LYS 10 23.492 1.516 19.037 82 HB2 LYS 10 HB2 LYS 10 23.761 -0.970 19.722 83 HB3 LYS 10 HB3 LYS 10 25.156 -0.969 18.652 84 HG2 LYS 10 HG2 LYS 10 26.058 -0.531 20.745 85 HG3 LYS 10 HG3 LYS 10 25.945 1.064 19.998 86 HD2 LYS 10 HD2 LYS 10 23.782 1.399 21.178 87 HD3 LYS 10 HD3 LYS 10 24.042 -0.138 22.007 88 HE2 LYS 10 HE2 LYS 10 25.880 2.252 22.132 89 HE3 LYS 10 HE3 LYS 10 24.715 1.797 23.374 90 HZ1 LYS 10 HZ1 LYS 10 25.913 -0.348 23.562 91 HZ2 LYS 10 HZ2 LYS 10 26.847 0.989 24.010 92 HZ3 LYS 10 HZ3 LYS 10 27.094 0.250 22.508 93 H THR 11 H THR 11 25.068 -0.553 16.555 94 HA THR 11 HA THR 11 26.467 1.919 15.610 95 HB THR 11 HB THR 11 27.802 -0.672 15.095 96 HG1 THR 11 HG1 THR 11 28.173 0.412 17.664 97 HG21 THR 11 HG21 THR 11 28.569 1.778 14.637 98 HG22 THR 11 HG22 THR 11 29.738 0.595 15.224 99 HG23 THR 11 HG23 THR 11 29.024 1.759 16.340 100 H LEU 12 H LEU 12 23.943 0.883 14.675 101 HA LEU 12 HA LEU 12 24.718 0.514 11.845 102 HB2 LEU 12 HB2 LEU 12 24.421 -1.759 12.818 103 HB3 LEU 12 HB3 LEU 12 22.760 -1.332 13.223 104 HG LEU 12 HG LEU 12 22.162 -1.201 10.906 105 HD11 LEU 12 HD11 LEU 12 23.837 -1.736 9.143 106 HD12 LEU 12 HD12 LEU 12 25.097 -1.608 10.369 107 HD13 LEU 12 HD13 LEU 12 24.117 -0.200 9.963 108 HD21 LEU 12 HD21 LEU 12 21.963 -3.414 10.698 109 HD22 LEU 12 HD22 LEU 12 22.893 -3.521 12.193 110 HD23 LEU 12 HD23 LEU 12 23.709 -3.651 10.634 111 H LYS 13 H LYS 13 23.727 2.101 10.818 112 HA LYS 13 HA LYS 13 20.878 2.640 11.543 113 HB2 LYS 13 HB2 LYS 13 22.738 4.829 10.635 114 HB3 LYS 13 HB3 LYS 13 21.194 4.966 11.465 115 HG2 LYS 13 HG2 LYS 13 22.572 3.644 13.338 116 HG3 LYS 13 HG3 LYS 13 23.898 4.501 12.550 117 HD2 LYS 13 HD2 LYS 13 23.328 6.154 13.976 118 HD3 LYS 13 HD3 LYS 13 22.090 6.496 12.764 119 HE2 LYS 13 HE2 LYS 13 20.471 6.019 14.211 120 HE3 LYS 13 HE3 LYS 13 21.180 4.440 14.548 121 HZ1 LYS 13 HZ1 LYS 13 22.730 6.375 15.833 122 HZ2 LYS 13 HZ2 LYS 13 21.764 5.178 16.535 123 HZ3 LYS 13 HZ3 LYS 13 21.111 6.702 16.200 124 H GLY 14 H GLY 14 19.501 3.266 9.862 125 HA2 GLY 14 HA2 GLY 14 20.151 3.956 7.265 126 HA3 GLY 14 HA3 GLY 14 20.291 2.204 7.274 127 H GLU 15 H GLU 15 18.520 3.179 5.560 128 HA GLU 15 HA GLU 15 15.938 2.491 6.883 129 HB2 GLU 15 HB2 GLU 15 15.936 4.550 4.713 130 HB3 GLU 15 HB3 GLU 15 14.803 4.312 6.035 131 HG2 GLU 15 HG2 GLU 15 16.934 5.005 7.463 132 HG3 GLU 15 HG3 GLU 15 17.342 5.826 5.957 133 H THR 16 H THR 16 14.250 1.817 5.344 134 HA THR 16 HA THR 16 15.095 1.082 2.648 135 HB THR 16 HB THR 16 16.157 -0.739 3.891 136 HG1 THR 16 HG1 THR 16 15.450 -2.182 2.477 137 HG21 THR 16 HG21 THR 16 14.310 -0.531 5.760 138 HG22 THR 16 HG22 THR 16 15.127 -2.065 5.460 139 HG23 THR 16 HG23 THR 16 13.516 -1.780 4.802 140 H THR 17 H THR 17 13.361 -0.264 1.543 141 HA THR 17 HA THR 17 10.687 0.280 2.752 142 HB THR 17 HB THR 17 9.817 1.054 0.614 143 HG1 THR 17 HG1 THR 17 11.623 1.571 -0.993 144 HG21 THR 17 HG21 THR 17 12.259 2.728 0.866 145 HG22 THR 17 HG22 THR 17 11.237 2.552 2.293 146 HG23 THR 17 HG23 THR 17 10.563 3.204 0.799 147 H THR 18 H THR 18 8.917 -0.922 1.679 148 HA THR 18 HA THR 18 9.666 -3.218 0.034 149 HB THR 18 HB THR 18 10.263 -3.895 2.420 150 HG1 THR 18 HG1 THR 18 9.990 -5.760 1.473 151 HG21 THR 18 HG21 THR 18 8.531 -4.436 3.954 152 HG22 THR 18 HG22 THR 18 7.277 -4.132 2.751 153 HG23 THR 18 HG23 THR 18 8.214 -2.790 3.408 154 H LYS 19 H LYS 19 7.873 -4.367 -0.795 155 HA LYS 19 HA LYS 19 5.314 -2.863 -0.448 156 HB2 LYS 19 HB2 LYS 19 4.747 -3.468 -2.675 157 HB3 LYS 19 HB3 LYS 19 6.425 -2.942 -2.730 158 HG2 LYS 19 HG2 LYS 19 6.641 -5.647 -2.296 159 HG3 LYS 19 HG3 LYS 19 5.253 -5.521 -3.379 160 HD2 LYS 19 HD2 LYS 19 7.980 -4.315 -3.849 161 HD3 LYS 19 HD3 LYS 19 7.342 -5.764 -4.629 162 HE2 LYS 19 HE2 LYS 19 6.491 -4.466 -6.217 163 HE3 LYS 19 HE3 LYS 19 5.407 -3.774 -5.011 164 HZ1 LYS 19 HZ1 LYS 19 6.594 -1.892 -4.905 165 HZ2 LYS 19 HZ2 LYS 19 7.189 -2.361 -6.417 166 HZ3 LYS 19 HZ3 LYS 19 8.087 -2.681 -5.020 167 H ALA 20 H ALA 20 3.442 -3.892 0.061 168 HA ALA 20 HA ALA 20 3.266 -6.805 -0.008 169 HB1 ALA 20 HB1 ALA 20 4.147 -7.125 2.028 170 HB2 ALA 20 HB2 ALA 20 4.018 -5.421 2.465 171 HB3 ALA 20 HB3 ALA 20 2.620 -6.483 2.635 172 H VAL 21 H VAL 21 1.159 -7.594 0.358 173 HA VAL 21 HA VAL 21 -0.896 -5.577 -0.192 174 HB VAL 21 HB VAL 21 -2.427 -7.557 -0.277 175 HG11 VAL 21 HG11 VAL 21 -1.694 -8.273 -2.387 176 HG12 VAL 21 HG12 VAL 21 -1.036 -6.645 -2.215 177 HG13 VAL 21 HG13 VAL 21 0.004 -8.048 -1.970 178 HG21 VAL 21 HG21 VAL 21 -0.416 -9.588 -0.434 179 HG22 VAL 21 HG22 VAL 21 -0.333 -8.796 1.139 180 HG23 VAL 21 HG23 VAL 21 -1.847 -9.517 0.594 181 H ASP 22 H ASP 22 0.574 -6.504 2.576 182 HA ASP 22 HA ASP 22 -1.453 -5.377 4.250 183 HB2 ASP 22 HB2 ASP 22 -1.936 -7.458 5.597 184 HB3 ASP 22 HB3 ASP 22 -2.671 -7.425 3.996 185 H ALA 23 H ALA 23 -0.743 -5.010 6.357 186 HA ALA 23 HA ALA 23 2.003 -4.690 6.733 187 HB1 ALA 23 HB1 ALA 23 0.703 -3.494 8.214 188 HB2 ALA 23 HB2 ALA 23 -0.317 -4.877 8.614 189 HB3 ALA 23 HB3 ALA 23 1.322 -4.776 9.256 190 H GLU 24 H GLU 24 -0.062 -7.437 7.703 191 HA GLU 24 HA GLU 24 1.790 -8.888 9.211 192 HB2 GLU 24 HB2 GLU 24 -0.446 -9.678 9.079 193 HB3 GLU 24 HB3 GLU 24 -0.392 -9.789 7.325 194 HG2 GLU 24 HG2 GLU 24 0.942 -11.711 7.373 195 HG3 GLU 24 HG3 GLU 24 1.372 -11.473 9.066 196 H THR 25 H THR 25 1.617 -8.431 5.731 197 HA THR 25 HA THR 25 3.540 -10.553 5.157 198 HB THR 25 HB THR 25 2.459 -8.302 3.439 199 HG1 THR 25 HG1 THR 25 1.906 -11.101 3.482 200 HG21 THR 25 HG21 THR 25 3.398 -9.570 1.540 201 HG22 THR 25 HG22 THR 25 4.185 -10.662 2.680 202 HG23 THR 25 HG23 THR 25 4.650 -8.962 2.623 203 H ALA 26 H ALA 26 3.595 -6.964 5.048 204 HA ALA 26 HA ALA 26 6.324 -6.704 4.358 205 HB1 ALA 26 HB1 ALA 26 4.244 -4.976 5.541 206 HB2 ALA 26 HB2 ALA 26 5.911 -4.490 5.856 207 HB3 ALA 26 HB3 ALA 26 5.346 -4.678 4.196 208 H GLU 27 H GLU 27 4.764 -6.825 7.578 209 HA GLU 27 HA GLU 27 7.010 -6.360 9.172 210 HB2 GLU 27 HB2 GLU 27 4.834 -6.561 10.162 211 HB3 GLU 27 HB3 GLU 27 4.662 -8.219 9.604 212 HG2 GLU 27 HG2 GLU 27 6.084 -9.053 11.212 213 HG3 GLU 27 HG3 GLU 27 6.896 -7.506 11.446 214 H LYS 28 H LYS 28 5.821 -9.536 7.996 215 HA LYS 28 HA LYS 28 7.824 -11.143 9.102 216 HB2 LYS 28 HB2 LYS 28 5.910 -11.338 6.898 217 HB3 LYS 28 HB3 LYS 28 7.369 -12.276 6.607 218 HG2 LYS 28 HG2 LYS 28 6.156 -13.841 7.704 219 HG3 LYS 28 HG3 LYS 28 6.908 -13.061 9.097 220 HD2 LYS 28 HD2 LYS 28 4.851 -11.562 9.166 221 HD3 LYS 28 HD3 LYS 28 4.117 -12.700 8.033 222 HE2 LYS 28 HE2 LYS 28 5.012 -14.422 9.885 223 HE3 LYS 28 HE3 LYS 28 4.751 -13.009 10.906 224 HZ1 LYS 28 HZ1 LYS 28 2.496 -13.069 9.453 225 HZ2 LYS 28 HZ2 LYS 28 2.661 -13.763 10.987 226 HZ3 LYS 28 HZ3 LYS 28 2.825 -14.722 9.603 227 H ALA 29 H ALA 29 7.922 -9.103 6.216 228 HA ALA 29 HA ALA 29 10.490 -10.140 5.323 229 HB1 ALA 29 HB1 ALA 29 8.962 -7.642 4.569 230 HB2 ALA 29 HB2 ALA 29 10.425 -8.212 3.765 231 HB3 ALA 29 HB3 ALA 29 8.957 -9.188 3.720 232 H PHE 30 H PHE 30 9.367 -7.516 7.392 233 HA PHE 30 HA PHE 30 11.885 -6.106 7.449 234 HB2 PHE 30 HB2 PHE 30 9.500 -6.108 9.319 235 HB3 PHE 30 HB3 PHE 30 10.887 -5.042 9.516 236 HD1 PHE 30 HD2 PHE 30 11.407 -4.430 6.628 237 HD2 PHE 30 HD1 PHE 30 7.795 -4.571 8.875 238 HE1 PHE 30 HE2 PHE 30 10.384 -2.815 5.079 239 HE2 PHE 30 HE1 PHE 30 6.766 -2.957 7.329 240 HZ PHE 30 HZ PHE 30 8.061 -2.076 5.429 241 H LYS 31 H LYS 31 10.489 -8.784 9.255 242 HA LYS 31 HA LYS 31 12.500 -8.707 11.357 243 HB2 LYS 31 HB2 LYS 31 10.081 -9.777 11.294 244 HB3 LYS 31 HB3 LYS 31 10.948 -11.183 10.688 245 HG2 LYS 31 HG2 LYS 31 11.570 -11.731 12.737 246 HG3 LYS 31 HG3 LYS 31 12.313 -10.148 12.974 247 HD2 LYS 31 HD2 LYS 31 10.056 -9.254 13.548 248 HD3 LYS 31 HD3 LYS 31 9.435 -10.904 13.471 249 HE2 LYS 31 HE2 LYS 31 11.776 -10.235 15.213 250 HE3 LYS 31 HE3 LYS 31 10.132 -9.913 15.763 251 HZ1 LYS 31 HZ1 LYS 31 10.409 -12.542 14.681 252 HZ2 LYS 31 HZ2 LYS 31 9.808 -12.056 16.185 253 HZ3 LYS 31 HZ3 LYS 31 11.470 -12.284 15.974 254 H GLN 32 H GLN 32 12.520 -9.664 8.117 255 HA GLN 32 HA GLN 32 14.523 -11.800 8.534 256 HB2 GLN 32 HB2 GLN 32 12.714 -11.988 6.805 257 HB3 GLN 32 HB3 GLN 32 13.461 -10.654 5.937 258 HG2 GLN 32 HG2 GLN 32 15.577 -12.093 5.933 259 HG3 GLN 32 HG3 GLN 32 14.509 -13.422 6.381 260 HE21 GLN 32 HE21 GLN 32 15.913 -11.841 3.853 261 HE22 GLN 32 HE22 GLN 32 14.864 -12.352 2.579 262 H TYR 33 H TYR 33 14.270 -8.678 6.778 263 HA TYR 33 HA TYR 33 16.926 -8.490 5.926 264 HB2 TYR 33 HB2 TYR 33 15.223 -6.901 5.233 265 HB3 TYR 33 HB3 TYR 33 15.072 -6.284 6.874 266 HD1 TYR 33 HD2 TYR 33 17.884 -6.900 4.478 267 HD2 TYR 33 HD1 TYR 33 15.997 -4.201 7.172 268 HE1 TYR 33 HE2 TYR 33 19.616 -5.221 4.000 269 HE2 TYR 33 HE1 TYR 33 17.723 -2.515 6.701 270 HH TYR 33 HH TYR 33 19.323 -1.997 4.809 271 H ALA 34 H ALA 34 15.523 -7.334 9.014 272 HA ALA 34 HA ALA 34 17.911 -6.265 10.090 273 HB1 ALA 34 HB1 ALA 34 15.336 -6.429 10.922 274 HB2 ALA 34 HB2 ALA 34 16.104 -7.586 12.010 275 HB3 ALA 34 HB3 ALA 34 16.679 -5.920 11.946 276 H ASN 35 H ASN 35 16.465 -9.517 10.594 277 HA ASN 35 HA ASN 35 18.453 -10.574 12.254 278 HB2 ASN 35 HB2 ASN 35 16.426 -11.663 10.401 279 HB3 ASN 35 HB3 ASN 35 17.782 -12.742 10.717 280 HD21 ASN 35 HD21 ASN 35 16.303 -14.139 11.771 281 HD22 ASN 35 HD22 ASN 35 15.785 -13.816 13.387 282 H ASP 36 H ASP 36 18.372 -10.402 8.693 283 HA ASP 36 HA ASP 36 20.638 -11.935 8.110 284 HB2 ASP 36 HB2 ASP 36 19.151 -9.754 6.805 285 HB3 ASP 36 HB3 ASP 36 20.834 -9.873 6.300 286 H ASN 37 H ASN 37 20.428 -8.571 9.226 287 HA ASN 37 HA ASN 37 23.404 -8.434 9.220 288 HB2 ASN 37 HB2 ASN 37 21.272 -6.301 9.547 289 HB3 ASN 37 HB3 ASN 37 22.999 -5.996 9.716 290 HD21 ASN 37 HD21 ASN 37 20.408 -6.682 7.533 291 HD22 ASN 37 HD22 ASN 37 21.283 -6.389 6.072 292 H GLY 38 H GLY 38 21.745 -10.019 11.134 293 HA2 GLY 38 HA2 GLY 38 21.653 -10.386 13.418 294 HA3 GLY 38 HA3 GLY 38 23.213 -9.579 13.469 295 H VAL 39 H VAL 39 20.170 -8.088 12.467 296 HA VAL 39 HA VAL 39 20.504 -6.175 14.723 297 HB VAL 39 HB VAL 39 18.640 -5.921 12.354 298 HG11 VAL 39 HG11 VAL 39 19.778 -3.591 13.782 299 HG12 VAL 39 HG12 VAL 39 18.177 -3.820 13.075 300 HG13 VAL 39 HG13 VAL 39 18.563 -4.540 14.638 301 HG21 VAL 39 HG21 VAL 39 21.448 -4.860 12.655 302 HG22 VAL 39 HG22 VAL 39 20.932 -6.130 11.546 303 HG23 VAL 39 HG23 VAL 39 20.340 -4.482 11.336 304 H ASP 40 H ASP 40 19.371 -6.526 16.498 305 HA ASP 40 HA ASP 40 16.609 -7.627 16.170 306 HB2 ASP 40 HB2 ASP 40 18.433 -9.184 17.183 307 HB3 ASP 40 HB3 ASP 40 18.284 -8.168 18.614 308 H GLY 41 H GLY 41 14.998 -6.791 17.471 309 HA2 GLY 41 HA2 GLY 41 15.492 -5.048 19.681 310 HA3 GLY 41 HA3 GLY 41 15.256 -4.082 18.232 311 H VAL 42 H VAL 42 13.371 -3.153 19.119 312 HA VAL 42 HA VAL 42 11.099 -5.045 19.486 313 HB VAL 42 HB VAL 42 11.482 -3.414 21.286 314 HG11 VAL 42 HG11 VAL 42 12.107 -1.655 19.272 315 HG12 VAL 42 HG12 VAL 42 10.529 -1.083 19.818 316 HG13 VAL 42 HG13 VAL 42 11.859 -1.234 20.966 317 HG21 VAL 42 HG21 VAL 42 9.253 -2.895 21.624 318 HG22 VAL 42 HG22 VAL 42 8.972 -2.529 19.921 319 HG23 VAL 42 HG23 VAL 42 9.153 -4.203 20.445 320 H TRP 43 H TRP 43 9.510 -5.232 18.051 321 HA TRP 43 HA TRP 43 9.618 -3.453 15.677 322 HB2 TRP 43 HB2 TRP 43 8.191 -6.073 16.215 323 HB3 TRP 43 HB3 TRP 43 8.005 -5.148 14.727 324 HD1 TRP 43 HD1 TRP 43 9.913 -7.943 16.025 325 HE1 TRP 43 HE1 TRP 43 12.028 -8.380 14.625 326 HE3 TRP 43 HE3 TRP 43 10.083 -3.549 13.418 327 HZ2 TRP 43 HZ2 TRP 43 13.565 -7.040 12.674 328 HZ3 TRP 43 HZ3 TRP 43 11.908 -3.205 11.804 329 HH2 TRP 43 HH2 TRP 43 13.612 -4.915 11.442 330 H THR 44 H THR 44 8.263 -1.824 15.403 331 HA THR 44 HA THR 44 5.551 -2.014 16.599 332 HB THR 44 HB THR 44 5.808 0.446 17.296 333 HG1 THR 44 HG1 THR 44 7.727 1.300 17.089 334 HG21 THR 44 HG21 THR 44 5.917 -1.784 18.728 335 HG22 THR 44 HG22 THR 44 6.213 -0.204 19.454 336 HG23 THR 44 HG23 THR 44 7.570 -1.237 19.005 337 H TYR 45 H TYR 45 3.962 -0.921 15.498 338 HA TYR 45 HA TYR 45 4.623 1.005 13.420 339 HB2 TYR 45 HB2 TYR 45 4.296 -0.229 11.509 340 HB3 TYR 45 HB3 TYR 45 5.024 -1.467 12.526 341 HD1 TYR 45 HD2 TYR 45 3.246 -2.831 13.980 342 HD2 TYR 45 HD1 TYR 45 2.382 -0.785 10.350 343 HE1 TYR 45 HE2 TYR 45 1.279 -4.269 13.644 344 HE2 TYR 45 HE1 TYR 45 0.412 -2.217 10.006 345 HH TYR 45 HH TYR 45 -1.119 -3.775 12.107 346 H ASP 46 H ASP 46 2.814 2.076 12.586 347 HA ASP 46 HA ASP 46 0.291 1.435 14.063 348 HB2 ASP 46 HB2 ASP 46 0.969 3.557 14.806 349 HB3 ASP 46 HB3 ASP 46 1.537 4.044 13.212 350 H ASP 47 H ASP 47 -1.559 1.115 12.974 351 HA ASP 47 HA ASP 47 -1.526 0.406 10.260 352 HB2 ASP 47 HB2 ASP 47 -3.391 -0.383 11.366 353 HB3 ASP 47 HB3 ASP 47 -3.673 1.136 12.211 354 H ALA 48 H ALA 48 -2.656 3.479 11.723 355 HA ALA 48 HA ALA 48 -3.472 4.797 9.410 356 HB1 ALA 48 HB1 ALA 48 -3.513 6.670 10.685 357 HB2 ALA 48 HB2 ALA 48 -3.250 5.509 11.987 358 HB3 ALA 48 HB3 ALA 48 -1.889 6.414 11.325 359 H THR 49 H THR 49 -0.163 4.538 10.735 360 HA THR 49 HA THR 49 0.853 5.846 8.258 361 HB THR 49 HB THR 49 1.606 6.647 10.546 362 HG1 THR 49 HG1 THR 49 3.967 6.412 9.770 363 HG21 THR 49 HG21 THR 49 2.570 5.270 12.018 364 HG22 THR 49 HG22 THR 49 3.677 4.639 10.798 365 HG23 THR 49 HG23 THR 49 2.070 3.936 10.979 366 H LYS 50 H LYS 50 3.399 4.850 8.132 367 HA LYS 50 HA LYS 50 3.199 1.907 8.027 368 HB2 LYS 50 HB2 LYS 50 3.628 3.617 5.561 369 HB3 LYS 50 HB3 LYS 50 3.935 1.886 5.628 370 HG2 LYS 50 HG2 LYS 50 1.841 1.826 4.780 371 HG3 LYS 50 HG3 LYS 50 1.423 1.870 6.495 372 HD2 LYS 50 HD2 LYS 50 0.366 3.811 6.235 373 HD3 LYS 50 HD3 LYS 50 1.798 4.540 5.504 374 HE2 LYS 50 HE2 LYS 50 1.103 3.353 3.360 375 HE3 LYS 50 HE3 LYS 50 -0.442 3.054 4.155 376 HZ1 LYS 50 HZ1 LYS 50 -1.052 5.054 3.462 377 HZ2 LYS 50 HZ2 LYS 50 0.505 5.427 2.917 378 HZ3 LYS 50 HZ3 LYS 50 0.076 5.732 4.525 379 H THR 51 H THR 51 4.739 3.520 9.690 380 HA THR 51 HA THR 51 7.467 3.235 8.493 381 HB THR 51 HB THR 51 6.493 5.034 10.730 382 HG1 THR 51 HG1 THR 51 6.142 6.168 8.944 383 HG21 THR 51 HG21 THR 51 8.992 5.869 10.342 384 HG22 THR 51 HG22 THR 51 9.221 4.168 9.938 385 HG23 THR 51 HG23 THR 51 8.593 4.621 11.522 386 H PHE 52 H PHE 52 8.882 1.855 9.359 387 HA PHE 52 HA PHE 52 8.127 0.626 11.982 388 HB2 PHE 52 HB2 PHE 52 9.357 -0.649 9.525 389 HB3 PHE 52 HB3 PHE 52 9.327 -1.428 11.104 390 HD1 PHE 52 HD2 PHE 52 6.964 0.289 8.778 391 HD2 PHE 52 HD1 PHE 52 7.635 -2.917 11.497 392 HE1 PHE 52 HE2 PHE 52 4.714 -0.583 8.300 393 HE2 PHE 52 HE1 PHE 52 5.386 -3.795 11.022 394 HZ PHE 52 HZ PHE 52 3.922 -2.627 9.422 395 H THR 53 H THR 53 9.642 0.485 13.539 396 HA THR 53 HA THR 53 12.436 1.219 12.783 397 HB THR 53 HB THR 53 10.926 2.305 15.179 398 HG1 THR 53 HG1 THR 53 11.454 4.333 13.984 399 HG21 THR 53 HG21 THR 53 13.788 2.524 14.288 400 HG22 THR 53 HG22 THR 53 13.157 2.071 15.872 401 HG23 THR 53 HG23 THR 53 13.045 3.743 15.322 402 H VAL 54 H VAL 54 14.057 0.200 13.886 403 HA VAL 54 HA VAL 54 13.181 -1.736 15.992 404 HB VAL 54 HB VAL 54 13.561 -3.017 13.980 405 HG11 VAL 54 HG11 VAL 54 15.026 -1.265 12.907 406 HG12 VAL 54 HG12 VAL 54 16.362 -1.924 13.852 407 HG13 VAL 54 HG13 VAL 54 15.533 -2.937 12.670 408 HG21 VAL 54 HG21 VAL 54 16.089 -3.448 15.514 409 HG22 VAL 54 HG22 VAL 54 14.531 -3.697 16.302 410 HG23 VAL 54 HG23 VAL 54 14.953 -4.632 14.868 411 H THR 55 H THR 55 14.133 -1.332 17.858 412 HA THR 55 HA THR 55 16.855 -0.090 17.779 413 HB THR 55 HB THR 55 15.131 1.379 18.767 414 HG1 THR 55 HG1 THR 55 16.786 1.974 19.933 415 HG21 THR 55 HG21 THR 55 13.783 0.812 20.545 416 HG22 THR 55 HG22 THR 55 14.885 -0.439 21.120 417 HG23 THR 55 HG23 THR 55 13.876 -0.734 19.704 418 H GLU 56 H GLU 56 18.504 -1.097 18.750 419 HA GLU 56 HA GLU 56 18.038 -3.776 19.799 420 HB2 GLU 56 HB2 GLU 56 20.480 -2.061 19.373 421 HB3 GLU 56 HB3 GLU 56 20.583 -3.586 20.240 422 HG2 GLU 56 HG2 GLU 56 19.973 -4.831 18.353 423 HG3 GLU 56 HG3 GLU 56 19.377 -3.407 17.503 Start of MODEL 4 1 H1 MET 1 H MET 1 0.790 0.597 0.542 2 HA MET 1 HA MET 1 1.357 -1.452 -1.474 3 HB2 MET 1 HB2 MET 1 1.303 1.517 -1.462 4 HB3 MET 1 HB3 MET 1 2.480 0.748 -2.519 5 HG2 MET 1 HG2 MET 1 -0.216 -0.381 -2.681 6 HG3 MET 1 HG3 MET 1 -0.090 1.303 -3.184 7 HE1 MET 1 HE1 MET 1 0.477 1.810 -5.830 8 HE2 MET 1 HE2 MET 1 1.788 2.138 -4.697 9 HE3 MET 1 HE3 MET 1 2.125 1.317 -6.221 10 H GLN 2 H GLN 2 3.275 1.313 -0.277 11 HA GLN 2 HA GLN 2 5.548 -0.603 0.057 12 HB2 GLN 2 HB2 GLN 2 6.427 2.126 -0.143 13 HB3 GLN 2 HB3 GLN 2 6.806 0.762 -1.186 14 HG2 GLN 2 HG2 GLN 2 4.696 1.187 -2.418 15 HG3 GLN 2 HG3 GLN 2 4.464 2.633 -1.436 16 HE21 GLN 2 HE21 GLN 2 5.024 2.059 -4.375 17 HE22 GLN 2 HE22 GLN 2 6.311 3.143 -4.765 18 H TYR 3 H TYR 3 6.730 -0.587 1.909 19 HA TYR 3 HA TYR 3 5.774 1.310 4.019 20 HB2 TYR 3 HB2 TYR 3 6.843 -1.493 4.458 21 HB3 TYR 3 HB3 TYR 3 6.124 -0.427 5.660 22 HD1 TYR 3 HD2 TYR 3 5.378 -2.381 2.597 23 HD2 TYR 3 HD1 TYR 3 3.795 -0.404 6.016 24 HE1 TYR 3 HE2 TYR 3 3.169 -3.355 2.130 25 HE2 TYR 3 HE1 TYR 3 1.582 -1.374 5.560 26 HH TYR 3 HH TYR 3 0.771 -2.810 2.641 27 H LYS 4 H LYS 4 7.343 1.786 5.735 28 HA LYS 4 HA LYS 4 10.114 1.825 4.608 29 HB2 LYS 4 HB2 LYS 4 8.565 3.987 5.203 30 HB3 LYS 4 HB3 LYS 4 9.408 3.764 6.731 31 HG2 LYS 4 HG2 LYS 4 10.600 5.329 5.330 32 HG3 LYS 4 HG3 LYS 4 11.554 3.860 5.551 33 HD2 LYS 4 HD2 LYS 4 11.588 3.465 3.358 34 HD3 LYS 4 HD3 LYS 4 9.838 3.658 3.234 35 HE2 LYS 4 HE2 LYS 4 10.522 5.387 1.905 36 HE3 LYS 4 HE3 LYS 4 10.448 6.212 3.461 37 HZ1 LYS 4 HZ1 LYS 4 12.566 6.303 1.881 38 HZ2 LYS 4 HZ2 LYS 4 12.976 4.937 2.790 39 HZ3 LYS 4 HZ3 LYS 4 12.678 6.411 3.566 40 H LEU 5 H LEU 5 11.880 1.536 6.014 41 HA LEU 5 HA LEU 5 11.220 0.590 8.752 42 HB2 LEU 5 HB2 LEU 5 11.286 -1.498 7.815 43 HB3 LEU 5 HB3 LEU 5 12.399 -1.014 6.537 44 HG LEU 5 HG LEU 5 14.261 -1.093 8.093 45 HD11 LEU 5 HD11 LEU 5 12.101 -1.626 10.098 46 HD12 LEU 5 HD12 LEU 5 13.411 -0.448 10.160 47 HD13 LEU 5 HD13 LEU 5 13.758 -2.164 10.372 48 HD21 LEU 5 HD21 LEU 5 14.379 -3.460 8.394 49 HD22 LEU 5 HD22 LEU 5 13.504 -3.148 6.895 50 HD23 LEU 5 HD23 LEU 5 12.622 -3.608 8.352 51 H VAL 6 H VAL 6 12.340 1.933 9.994 52 HA VAL 6 HA VAL 6 15.031 2.803 9.074 53 HB VAL 6 HB VAL 6 13.369 3.778 11.414 54 HG11 VAL 6 HG11 VAL 6 15.072 5.762 11.009 55 HG12 VAL 6 HG12 VAL 6 15.471 4.396 12.052 56 HG13 VAL 6 HG13 VAL 6 16.078 4.450 10.396 57 HG21 VAL 6 HG21 VAL 6 13.818 5.673 9.283 58 HG22 VAL 6 HG22 VAL 6 12.993 4.231 8.689 59 HG23 VAL 6 HG23 VAL 6 12.304 5.154 10.025 60 H ILE 7 H ILE 7 16.900 2.469 10.222 61 HA ILE 7 HA ILE 7 16.658 0.447 12.414 62 HB ILE 7 HB ILE 7 18.942 0.933 10.485 63 HG12 ILE 7 HG12 ILE 7 17.788 -1.741 10.634 64 HG13 ILE 7 HG13 ILE 7 16.606 -0.530 10.149 65 HG21 ILE 7 HG21 ILE 7 18.698 -1.035 12.757 66 HG22 ILE 7 HG22 ILE 7 19.987 -1.025 11.555 67 HG23 ILE 7 HG23 ILE 7 19.807 0.333 12.665 68 HD11 ILE 7 HD11 ILE 7 18.339 0.214 8.434 69 HD12 ILE 7 HD12 ILE 7 19.153 -1.311 8.786 70 HD13 ILE 7 HD13 ILE 7 17.507 -1.316 8.153 71 H ASN 8 H ASN 8 16.614 1.668 14.233 72 HA ASN 8 HA ASN 8 18.678 3.784 14.531 73 HB2 ASN 8 HB2 ASN 8 16.033 3.738 15.240 74 HB3 ASN 8 HB3 ASN 8 16.803 3.293 16.760 75 HD21 ASN 8 HD21 ASN 8 18.928 4.705 17.058 76 HD22 ASN 8 HD22 ASN 8 18.643 6.405 16.931 77 H GLY 9 H GLY 9 19.800 1.296 14.432 78 HA2 GLY 9 HA2 GLY 9 20.046 0.108 17.055 79 HA3 GLY 9 HA3 GLY 9 21.066 -0.214 15.661 80 H LYS 10 H LYS 10 22.741 -0.350 17.364 81 HA LYS 10 HA LYS 10 23.540 2.235 18.527 82 HB2 LYS 10 HB2 LYS 10 23.851 -0.436 19.271 83 HB3 LYS 10 HB3 LYS 10 25.466 0.059 18.781 84 HG2 LYS 10 HG2 LYS 10 25.650 0.790 20.882 85 HG3 LYS 10 HG3 LYS 10 24.702 2.168 20.316 86 HD2 LYS 10 HD2 LYS 10 22.672 0.611 20.901 87 HD3 LYS 10 HD3 LYS 10 23.854 -0.189 21.940 88 HE2 LYS 10 HE2 LYS 10 23.503 1.380 23.473 89 HE3 LYS 10 HE3 LYS 10 24.169 2.573 22.360 90 HZ1 LYS 10 HZ1 LYS 10 21.959 2.909 21.450 91 HZ2 LYS 10 HZ2 LYS 10 21.964 3.201 23.115 92 HZ3 LYS 10 HZ3 LYS 10 21.316 1.759 22.511 93 H THR 11 H THR 11 24.712 -0.112 16.115 94 HA THR 11 HA THR 11 26.686 1.964 15.243 95 HB THR 11 HB THR 11 28.068 0.173 14.352 96 HG1 THR 11 HG1 THR 11 27.294 -2.058 15.103 97 HG21 THR 11 HG21 THR 11 27.212 -0.401 17.192 98 HG22 THR 11 HG22 THR 11 28.420 0.781 16.689 99 HG23 THR 11 HG23 THR 11 28.716 -0.940 16.446 100 H LEU 12 H LEU 12 24.689 -0.770 14.046 101 HA LEU 12 HA LEU 12 24.850 0.152 11.302 102 HB2 LEU 12 HB2 LEU 12 24.527 -2.190 11.811 103 HB3 LEU 12 HB3 LEU 12 23.028 -1.836 12.668 104 HG LEU 12 HG LEU 12 21.912 -1.284 10.620 105 HD11 LEU 12 HD11 LEU 12 23.406 -1.824 8.480 106 HD12 LEU 12 HD12 LEU 12 24.671 -1.224 9.552 107 HD13 LEU 12 HD13 LEU 12 23.281 -0.206 9.173 108 HD21 LEU 12 HD21 LEU 12 23.015 -3.828 11.183 109 HD22 LEU 12 HD22 LEU 12 23.056 -3.607 9.433 110 HD23 LEU 12 HD23 LEU 12 21.532 -3.446 10.308 111 H LYS 13 H LYS 13 23.703 1.660 10.309 112 HA LYS 13 HA LYS 13 20.989 2.289 11.340 113 HB2 LYS 13 HB2 LYS 13 22.927 4.503 10.666 114 HB3 LYS 13 HB3 LYS 13 21.380 4.618 11.494 115 HG2 LYS 13 HG2 LYS 13 22.319 3.458 13.424 116 HG3 LYS 13 HG3 LYS 13 23.871 3.330 12.593 117 HD2 LYS 13 HD2 LYS 13 24.420 5.459 13.049 118 HD3 LYS 13 HD3 LYS 13 22.795 6.051 12.694 119 HE2 LYS 13 HE2 LYS 13 22.114 5.871 14.850 120 HE3 LYS 13 HE3 LYS 13 23.112 4.452 15.161 121 HZ1 LYS 13 HZ1 LYS 13 23.660 6.822 16.170 122 HZ2 LYS 13 HZ2 LYS 13 24.506 6.973 14.713 123 HZ3 LYS 13 HZ3 LYS 13 24.871 5.708 15.775 124 H GLY 14 H GLY 14 19.559 3.137 9.816 125 HA2 GLY 14 HA2 GLY 14 19.998 4.208 7.350 126 HA3 GLY 14 HA3 GLY 14 20.318 2.505 7.055 127 H GLU 15 H GLU 15 18.436 3.259 5.519 128 HA GLU 15 HA GLU 15 15.952 2.318 6.876 129 HB2 GLU 15 HB2 GLU 15 15.754 4.416 4.745 130 HB3 GLU 15 HB3 GLU 15 14.636 4.034 6.046 131 HG2 GLU 15 HG2 GLU 15 16.190 5.024 7.660 132 HG3 GLU 15 HG3 GLU 15 17.284 5.433 6.340 133 H THR 16 H THR 16 14.313 1.491 5.374 134 HA THR 16 HA THR 16 15.274 0.809 2.673 135 HB THR 16 HB THR 16 16.223 -0.990 4.091 136 HG1 THR 16 HG1 THR 16 15.387 -1.369 1.902 137 HG21 THR 16 HG21 THR 16 14.894 -2.475 5.352 138 HG22 THR 16 HG22 THR 16 13.397 -1.857 4.653 139 HG23 THR 16 HG23 THR 16 14.319 -0.865 5.783 140 H THR 17 H THR 17 13.584 -0.629 1.539 141 HA THR 17 HA THR 17 10.853 -0.020 2.564 142 HB THR 17 HB THR 17 10.136 0.658 0.290 143 HG1 THR 17 HG1 THR 17 11.486 0.249 -1.280 144 HG21 THR 17 HG21 THR 17 10.425 2.573 1.487 145 HG22 THR 17 HG22 THR 17 11.701 2.826 0.296 146 HG23 THR 17 HG23 THR 17 12.099 2.195 1.894 147 H THR 18 H THR 18 9.146 -1.166 1.234 148 HA THR 18 HA THR 18 10.066 -3.555 -0.196 149 HB THR 18 HB THR 18 10.194 -4.161 2.266 150 HG1 THR 18 HG1 THR 18 9.802 -6.117 1.562 151 HG21 THR 18 HG21 THR 18 8.061 -2.861 2.805 152 HG22 THR 18 HG22 THR 18 8.235 -4.454 3.542 153 HG23 THR 18 HG23 THR 18 7.190 -4.240 2.137 154 H LYS 19 H LYS 19 7.884 -5.092 -0.290 155 HA LYS 19 HA LYS 19 5.555 -3.328 -0.794 156 HB2 LYS 19 HB2 LYS 19 6.606 -5.220 -2.913 157 HB3 LYS 19 HB3 LYS 19 5.248 -4.112 -3.054 158 HG2 LYS 19 HG2 LYS 19 6.883 -2.967 -4.176 159 HG3 LYS 19 HG3 LYS 19 7.046 -2.290 -2.553 160 HD2 LYS 19 HD2 LYS 19 9.204 -2.845 -2.679 161 HD3 LYS 19 HD3 LYS 19 8.681 -4.522 -2.504 162 HE2 LYS 19 HE2 LYS 19 8.621 -4.811 -4.886 163 HE3 LYS 19 HE3 LYS 19 8.929 -3.095 -5.148 164 HZ1 LYS 19 HZ1 LYS 19 11.014 -3.879 -3.603 165 HZ2 LYS 19 HZ2 LYS 19 11.055 -3.695 -5.283 166 HZ3 LYS 19 HZ3 LYS 19 10.779 -5.221 -4.606 167 H ALA 20 H ALA 20 4.122 -4.243 0.535 168 HA ALA 20 HA ALA 20 3.585 -7.146 0.111 169 HB1 ALA 20 HB1 ALA 20 3.086 -6.397 2.853 170 HB2 ALA 20 HB2 ALA 20 4.075 -7.707 2.207 171 HB3 ALA 20 HB3 ALA 20 4.771 -6.100 2.422 172 H VAL 21 H VAL 21 1.437 -7.825 0.607 173 HA VAL 21 HA VAL 21 -0.508 -5.691 0.066 174 HB VAL 21 HB VAL 21 -2.152 -7.578 0.023 175 HG11 VAL 21 HG11 VAL 21 -1.167 -6.874 -2.038 176 HG12 VAL 21 HG12 VAL 21 0.306 -7.789 -1.708 177 HG13 VAL 21 HG13 VAL 21 -1.207 -8.637 -2.032 178 HG21 VAL 21 HG21 VAL 21 0.076 -9.539 0.029 179 HG22 VAL 21 HG22 VAL 21 -0.494 -8.940 1.587 180 HG23 VAL 21 HG23 VAL 21 -1.615 -9.744 0.488 181 H ASP 22 H ASP 22 0.981 -6.618 2.797 182 HA ASP 22 HA ASP 22 -0.978 -5.419 4.504 183 HB2 ASP 22 HB2 ASP 22 -2.162 -7.552 4.195 184 HB3 ASP 22 HB3 ASP 22 -0.735 -8.434 4.732 185 H ALA 23 H ALA 23 -0.114 -4.835 6.443 186 HA ALA 23 HA ALA 23 2.667 -4.757 6.736 187 HB1 ALA 23 HB1 ALA 23 2.045 -4.437 9.255 188 HB2 ALA 23 HB2 ALA 23 1.534 -3.245 8.060 189 HB3 ALA 23 HB3 ALA 23 0.387 -4.447 8.651 190 H GLU 24 H GLU 24 0.414 -7.301 7.589 191 HA GLU 24 HA GLU 24 2.146 -8.693 9.415 192 HB2 GLU 24 HB2 GLU 24 -0.172 -9.217 9.471 193 HB3 GLU 24 HB3 GLU 24 -0.223 -9.544 7.744 194 HG2 GLU 24 HG2 GLU 24 1.667 -11.254 9.118 195 HG3 GLU 24 HG3 GLU 24 0.036 -11.400 9.771 196 H THR 25 H THR 25 1.247 -9.475 6.024 197 HA THR 25 HA THR 25 3.157 -11.525 5.678 198 HB THR 25 HB THR 25 1.318 -11.121 4.098 199 HG1 THR 25 HG1 THR 25 3.604 -11.994 3.511 200 HG21 THR 25 HG21 THR 25 1.150 -8.789 3.893 201 HG22 THR 25 HG22 THR 25 1.761 -9.318 2.325 202 HG23 THR 25 HG23 THR 25 2.861 -8.611 3.508 203 H ALA 26 H ALA 26 3.544 -8.075 5.767 204 HA ALA 26 HA ALA 26 6.161 -8.165 4.416 205 HB1 ALA 26 HB1 ALA 26 5.554 -5.701 5.831 206 HB2 ALA 26 HB2 ALA 26 5.844 -5.979 4.113 207 HB3 ALA 26 HB3 ALA 26 4.228 -6.205 4.783 208 H GLU 27 H GLU 27 4.825 -8.184 7.654 209 HA GLU 27 HA GLU 27 6.988 -7.251 9.162 210 HB2 GLU 27 HB2 GLU 27 4.678 -8.079 9.930 211 HB3 GLU 27 HB3 GLU 27 5.388 -9.687 9.952 212 HG2 GLU 27 HG2 GLU 27 6.679 -9.250 11.769 213 HG3 GLU 27 HG3 GLU 27 6.823 -7.534 11.394 214 H LYS 28 H LYS 28 6.419 -10.556 7.916 215 HA LYS 28 HA LYS 28 8.725 -11.745 9.059 216 HB2 LYS 28 HB2 LYS 28 6.971 -12.350 6.707 217 HB3 LYS 28 HB3 LYS 28 8.478 -13.240 6.884 218 HG2 LYS 28 HG2 LYS 28 7.209 -14.645 8.084 219 HG3 LYS 28 HG3 LYS 28 7.481 -13.477 9.379 220 HD2 LYS 28 HD2 LYS 28 5.373 -12.308 8.509 221 HD3 LYS 28 HD3 LYS 28 5.072 -13.797 7.611 222 HE2 LYS 28 HE2 LYS 28 5.499 -14.894 9.973 223 HE3 LYS 28 HE3 LYS 28 5.025 -13.296 10.546 224 HZ1 LYS 28 HZ1 LYS 28 3.044 -13.638 8.945 225 HZ2 LYS 28 HZ2 LYS 28 3.027 -14.401 10.455 226 HZ3 LYS 28 HZ3 LYS 28 3.434 -15.280 9.068 227 H ALA 29 H ALA 29 8.253 -10.128 5.907 228 HA ALA 29 HA ALA 29 10.936 -10.601 4.992 229 HB1 ALA 29 HB1 ALA 29 8.571 -9.381 4.002 230 HB2 ALA 29 HB2 ALA 29 9.885 -8.215 3.835 231 HB3 ALA 29 HB3 ALA 29 10.034 -9.820 3.119 232 H PHE 30 H PHE 30 9.411 -8.070 6.927 233 HA PHE 30 HA PHE 30 11.689 -6.275 6.775 234 HB2 PHE 30 HB2 PHE 30 9.109 -6.387 8.264 235 HB3 PHE 30 HB3 PHE 30 10.394 -5.408 8.963 236 HD1 PHE 30 HD2 PHE 30 11.698 -4.292 6.608 237 HD2 PHE 30 HD1 PHE 30 7.563 -4.902 7.411 238 HE1 PHE 30 HE2 PHE 30 11.133 -2.455 5.072 239 HE2 PHE 30 HE1 PHE 30 6.991 -3.066 5.876 240 HZ PHE 30 HZ PHE 30 8.777 -1.839 4.705 241 H LYS 31 H LYS 31 10.627 -8.872 8.910 242 HA LYS 31 HA LYS 31 12.595 -8.267 10.969 243 HB2 LYS 31 HB2 LYS 31 10.843 -10.675 10.425 244 HB3 LYS 31 HB3 LYS 31 11.940 -10.573 11.796 245 HG2 LYS 31 HG2 LYS 31 9.810 -8.520 11.288 246 HG3 LYS 31 HG3 LYS 31 9.517 -9.988 12.224 247 HD2 LYS 31 HD2 LYS 31 11.927 -8.710 13.123 248 HD3 LYS 31 HD3 LYS 31 10.593 -7.555 13.129 249 HE2 LYS 31 HE2 LYS 31 10.390 -10.302 14.342 250 HE3 LYS 31 HE3 LYS 31 10.927 -8.890 15.252 251 HZ1 LYS 31 HZ1 LYS 31 8.449 -9.558 15.292 252 HZ2 LYS 31 HZ2 LYS 31 8.379 -8.805 13.779 253 HZ3 LYS 31 HZ3 LYS 31 8.856 -7.922 15.141 254 H GLN 32 H GLN 32 12.312 -10.602 8.287 255 HA GLN 32 HA GLN 32 14.540 -12.190 8.774 256 HB2 GLN 32 HB2 GLN 32 12.945 -12.484 6.897 257 HB3 GLN 32 HB3 GLN 32 13.674 -11.110 6.076 258 HG2 GLN 32 HG2 GLN 32 15.870 -12.452 6.278 259 HG3 GLN 32 HG3 GLN 32 14.808 -13.828 6.573 260 HE21 GLN 32 HE21 GLN 32 15.317 -11.156 4.308 261 HE22 GLN 32 HE22 GLN 32 14.848 -12.033 2.895 262 H TYR 33 H TYR 33 14.490 -9.120 6.914 263 HA TYR 33 HA TYR 33 17.230 -8.987 6.338 264 HB2 TYR 33 HB2 TYR 33 15.533 -7.439 5.433 265 HB3 TYR 33 HB3 TYR 33 15.374 -6.682 7.014 266 HD1 TYR 33 HD2 TYR 33 18.087 -7.539 4.582 267 HD2 TYR 33 HD1 TYR 33 16.506 -4.703 7.331 268 HE1 TYR 33 HE2 TYR 33 19.904 -5.983 4.013 269 HE2 TYR 33 HE1 TYR 33 18.318 -3.138 6.769 270 HH TYR 33 HH TYR 33 20.022 -2.719 5.373 271 H ALA 34 H ALA 34 15.519 -8.296 9.334 272 HA ALA 34 HA ALA 34 17.577 -6.835 10.652 273 HB1 ALA 34 HB1 ALA 34 16.149 -6.849 12.374 274 HB2 ALA 34 HB2 ALA 34 15.035 -7.667 11.278 275 HB3 ALA 34 HB3 ALA 34 16.030 -8.608 12.389 276 H ASN 35 H ASN 35 16.754 -10.329 10.865 277 HA ASN 35 HA ASN 35 18.965 -11.034 12.497 278 HB2 ASN 35 HB2 ASN 35 17.030 -12.460 10.761 279 HB3 ASN 35 HB3 ASN 35 18.537 -13.314 11.077 280 HD21 ASN 35 HD21 ASN 35 17.135 -14.837 12.172 281 HD22 ASN 35 HD22 ASN 35 16.680 -14.536 13.811 282 H ASP 36 H ASP 36 18.630 -10.772 8.973 283 HA ASP 36 HA ASP 36 20.963 -12.036 8.129 284 HB2 ASP 36 HB2 ASP 36 19.557 -9.558 7.127 285 HB3 ASP 36 HB3 ASP 36 20.981 -10.200 6.314 286 H ASN 37 H ASN 37 20.593 -8.765 9.487 287 HA ASN 37 HA ASN 37 23.570 -8.520 9.460 288 HB2 ASN 37 HB2 ASN 37 21.403 -6.412 9.722 289 HB3 ASN 37 HB3 ASN 37 23.129 -6.086 9.850 290 HD21 ASN 37 HD21 ASN 37 20.512 -6.897 7.734 291 HD22 ASN 37 HD22 ASN 37 21.356 -6.630 6.250 292 H GLY 38 H GLY 38 21.821 -10.058 11.377 293 HA2 GLY 38 HA2 GLY 38 21.622 -10.327 13.672 294 HA3 GLY 38 HA3 GLY 38 23.240 -9.642 13.727 295 H VAL 39 H VAL 39 20.012 -8.290 12.968 296 HA VAL 39 HA VAL 39 20.600 -6.175 15.000 297 HB VAL 39 HB VAL 39 18.615 -5.991 12.725 298 HG11 VAL 39 HG11 VAL 39 19.476 -3.465 13.402 299 HG12 VAL 39 HG12 VAL 39 17.961 -4.214 13.911 300 HG13 VAL 39 HG13 VAL 39 19.379 -4.287 14.959 301 HG21 VAL 39 HG21 VAL 39 21.515 -5.198 12.835 302 HG22 VAL 39 HG22 VAL 39 20.710 -6.230 11.653 303 HG23 VAL 39 HG23 VAL 39 20.377 -4.499 11.683 304 H ASP 40 H ASP 40 19.516 -6.316 16.832 305 HA ASP 40 HA ASP 40 16.787 -7.542 16.727 306 HB2 ASP 40 HB2 ASP 40 18.672 -8.828 17.937 307 HB3 ASP 40 HB3 ASP 40 18.560 -7.573 19.169 308 H GLY 41 H GLY 41 15.241 -6.768 18.306 309 HA2 GLY 41 HA2 GLY 41 15.534 -4.680 20.085 310 HA3 GLY 41 HA3 GLY 41 15.397 -3.870 18.532 311 H VAL 42 H VAL 42 13.462 -2.871 19.294 312 HA VAL 42 HA VAL 42 11.164 -4.754 19.567 313 HB VAL 42 HB VAL 42 9.922 -2.828 20.460 314 HG11 VAL 42 HG11 VAL 42 12.572 -3.420 21.762 315 HG12 VAL 42 HG12 VAL 42 11.275 -2.521 22.552 316 HG13 VAL 42 HG13 VAL 42 11.019 -4.198 22.068 317 HG21 VAL 42 HG21 VAL 42 10.583 -0.781 19.885 318 HG22 VAL 42 HG22 VAL 42 11.884 -0.951 21.064 319 HG23 VAL 42 HG23 VAL 42 12.167 -1.365 19.373 320 H TRP 43 H TRP 43 9.665 -4.936 18.036 321 HA TRP 43 HA TRP 43 9.856 -3.042 15.739 322 HB2 TRP 43 HB2 TRP 43 8.896 -5.892 15.997 323 HB3 TRP 43 HB3 TRP 43 8.451 -4.899 14.612 324 HD1 TRP 43 HD1 TRP 43 11.386 -6.776 16.130 325 HE1 TRP 43 HE1 TRP 43 13.312 -6.839 14.424 326 HE3 TRP 43 HE3 TRP 43 9.494 -3.545 12.648 327 HZ2 TRP 43 HZ2 TRP 43 13.947 -5.673 11.933 328 HZ3 TRP 43 HZ3 TRP 43 10.824 -3.073 10.633 329 HH2 TRP 43 HH2 TRP 43 13.004 -4.115 10.284 330 H THR 44 H THR 44 8.314 -1.599 15.402 331 HA THR 44 HA THR 44 5.617 -2.158 16.563 332 HB THR 44 HB THR 44 5.507 0.417 16.860 333 HG1 THR 44 HG1 THR 44 7.304 1.417 16.393 334 HG21 THR 44 HG21 THR 44 5.689 -1.427 18.644 335 HG22 THR 44 HG22 THR 44 6.122 0.217 19.112 336 HG23 THR 44 HG23 THR 44 7.385 -0.960 18.757 337 H TYR 45 H TYR 45 4.026 -2.061 15.132 338 HA TYR 45 HA TYR 45 4.497 -0.430 12.667 339 HB2 TYR 45 HB2 TYR 45 4.273 -2.309 11.473 340 HB3 TYR 45 HB3 TYR 45 3.963 -3.246 12.930 341 HD1 TYR 45 HD1 TYR 45 2.309 -1.141 10.356 342 HD2 TYR 45 HD2 TYR 45 1.822 -4.106 13.368 343 HE1 TYR 45 HE1 TYR 45 -0.015 -1.489 9.629 344 HE2 TYR 45 HE2 TYR 45 -0.502 -4.463 12.649 345 HH TYR 45 HH TYR 45 -2.297 -2.825 11.346 346 H ASP 46 H ASP 46 2.921 0.924 12.024 347 HA ASP 46 HA ASP 46 0.434 0.914 13.689 348 HB2 ASP 46 HB2 ASP 46 1.818 2.902 14.056 349 HB3 ASP 46 HB3 ASP 46 1.836 3.235 12.326 350 H ASP 47 H ASP 47 -1.560 1.393 12.703 351 HA ASP 47 HA ASP 47 -1.781 0.312 10.021 352 HB2 ASP 47 HB2 ASP 47 -3.681 -0.205 11.179 353 HB3 ASP 47 HB3 ASP 47 -3.635 1.272 12.138 354 H ALA 48 H ALA 48 -2.609 3.515 11.427 355 HA ALA 48 HA ALA 48 -3.284 4.832 9.068 356 HB1 ALA 48 HB1 ALA 48 -3.508 6.500 10.515 357 HB2 ALA 48 HB2 ALA 48 -2.647 5.560 11.735 358 HB3 ALA 48 HB3 ALA 48 -1.755 6.638 10.662 359 H THR 49 H THR 49 -0.038 4.988 10.610 360 HA THR 49 HA THR 49 1.083 5.827 8.003 361 HB THR 49 HB THR 49 1.732 7.010 10.106 362 HG1 THR 49 HG1 THR 49 3.569 7.392 9.127 363 HG21 THR 49 HG21 THR 49 1.771 5.127 11.642 364 HG22 THR 49 HG22 THR 49 3.353 5.908 11.608 365 HG23 THR 49 HG23 THR 49 3.098 4.393 10.742 366 H LYS 50 H LYS 50 3.439 4.913 7.656 367 HA LYS 50 HA LYS 50 3.402 1.970 8.128 368 HB2 LYS 50 HB2 LYS 50 4.008 3.266 5.455 369 HB3 LYS 50 HB3 LYS 50 4.028 1.544 5.813 370 HG2 LYS 50 HG2 LYS 50 1.917 1.453 5.159 371 HG3 LYS 50 HG3 LYS 50 1.489 2.426 6.569 372 HD2 LYS 50 HD2 LYS 50 2.497 3.777 4.104 373 HD3 LYS 50 HD3 LYS 50 0.826 3.213 4.160 374 HE2 LYS 50 HE2 LYS 50 0.698 4.463 6.401 375 HE3 LYS 50 HE3 LYS 50 2.184 5.260 5.885 376 HZ1 LYS 50 HZ1 LYS 50 -0.166 6.258 5.338 377 HZ2 LYS 50 HZ2 LYS 50 -0.068 5.207 4.016 378 HZ3 LYS 50 HZ3 LYS 50 1.118 6.392 4.244 379 H THR 51 H THR 51 4.870 3.898 9.551 380 HA THR 51 HA THR 51 7.627 3.476 8.467 381 HB THR 51 HB THR 51 6.542 5.609 10.322 382 HG1 THR 51 HG1 THR 51 7.226 6.968 8.637 383 HG21 THR 51 HG21 THR 51 9.113 6.337 9.861 384 HG22 THR 51 HG22 THR 51 9.281 4.585 9.975 385 HG23 THR 51 HG23 THR 51 8.569 5.491 11.309 386 H PHE 52 H PHE 52 8.450 1.682 9.340 387 HA PHE 52 HA PHE 52 7.943 1.192 12.237 388 HB2 PHE 52 HB2 PHE 52 9.243 -0.755 10.333 389 HB3 PHE 52 HB3 PHE 52 8.398 -1.087 11.841 390 HD1 PHE 52 HD2 PHE 52 5.935 0.516 11.423 391 HD2 PHE 52 HD1 PHE 52 8.080 -2.041 8.782 392 HE1 PHE 52 HE2 PHE 52 3.865 0.083 10.166 393 HE2 PHE 52 HE1 PHE 52 6.014 -2.477 7.520 394 HZ PHE 52 HZ PHE 52 3.902 -1.415 8.212 395 H THR 53 H THR 53 9.598 0.864 13.698 396 HA THR 53 HA THR 53 12.357 1.374 12.681 397 HB THR 53 HB THR 53 11.176 2.696 15.142 398 HG1 THR 53 HG1 THR 53 10.473 3.526 13.027 399 HG21 THR 53 HG21 THR 53 13.896 2.719 13.866 400 HG22 THR 53 HG22 THR 53 13.466 2.431 15.552 401 HG23 THR 53 HG23 THR 53 13.345 4.055 14.877 402 H VAL 54 H VAL 54 14.031 0.437 13.851 403 HA VAL 54 HA VAL 54 13.147 -1.419 16.026 404 HB VAL 54 HB VAL 54 13.562 -2.748 14.048 405 HG11 VAL 54 HG11 VAL 54 15.566 -2.703 12.781 406 HG12 VAL 54 HG12 VAL 54 15.048 -1.025 12.958 407 HG13 VAL 54 HG13 VAL 54 16.364 -1.653 13.952 408 HG21 VAL 54 HG21 VAL 54 15.935 -2.989 15.893 409 HG22 VAL 54 HG22 VAL 54 14.318 -3.591 16.259 410 HG23 VAL 54 HG23 VAL 54 15.223 -4.265 14.904 411 H THR 55 H THR 55 14.092 -0.997 17.891 412 HA THR 55 HA THR 55 16.792 0.292 17.811 413 HB THR 55 HB THR 55 14.764 0.491 20.053 414 HG1 THR 55 HG1 THR 55 13.993 1.568 18.191 415 HG21 THR 55 HG21 THR 55 17.532 1.177 19.819 416 HG22 THR 55 HG22 THR 55 16.455 1.376 21.201 417 HG23 THR 55 HG23 THR 55 16.582 2.652 19.990 418 H GLU 56 H GLU 56 18.450 -0.713 18.751 419 HA GLU 56 HA GLU 56 18.033 -3.373 19.839 420 HB2 GLU 56 HB2 GLU 56 20.452 -1.597 19.501 421 HB3 GLU 56 HB3 GLU 56 20.552 -3.156 20.307 422 HG2 GLU 56 HG2 GLU 56 20.026 -4.331 18.361 423 HG3 GLU 56 HG3 GLU 56 19.397 -2.893 17.557 Start of MODEL 5 1 H1 MET 1 H MET 1 0.082 1.633 -0.169 2 HA MET 1 HA MET 1 0.906 -0.539 -0.830 3 HB2 MET 1 HB2 MET 1 2.341 1.443 -2.589 4 HB3 MET 1 HB3 MET 1 1.673 -0.119 -3.040 5 HG2 MET 1 HG2 MET 1 0.016 1.157 -3.861 6 HG3 MET 1 HG3 MET 1 -0.562 1.076 -2.198 7 HE1 MET 1 HE1 MET 1 -1.410 2.840 -4.314 8 HE2 MET 1 HE2 MET 1 -1.878 4.051 -3.120 9 HE3 MET 1 HE3 MET 1 -0.772 4.481 -4.426 10 H GLN 2 H GLN 2 3.407 1.896 -0.214 11 HA GLN 2 HA GLN 2 5.343 -0.358 0.140 12 HB2 GLN 2 HB2 GLN 2 6.519 2.305 -0.151 13 HB3 GLN 2 HB3 GLN 2 6.912 0.804 -0.978 14 HG2 GLN 2 HG2 GLN 2 6.224 2.182 -2.696 15 HG3 GLN 2 HG3 GLN 2 4.774 1.245 -2.338 16 HE21 GLN 2 HE21 GLN 2 6.373 4.254 -1.347 17 HE22 GLN 2 HE22 GLN 2 4.926 5.194 -1.258 18 H TYR 3 H TYR 3 6.560 -0.469 1.977 19 HA TYR 3 HA TYR 3 5.826 1.519 4.089 20 HB2 TYR 3 HB2 TYR 3 6.820 -1.278 4.632 21 HB3 TYR 3 HB3 TYR 3 5.944 -0.195 5.707 22 HD1 TYR 3 HD2 TYR 3 3.711 0.653 3.960 23 HD2 TYR 3 HD1 TYR 3 5.472 -3.180 4.516 24 HE1 TYR 3 HE2 TYR 3 1.590 -0.409 3.308 25 HE2 TYR 3 HE1 TYR 3 3.356 -4.253 3.865 26 HH TYR 3 HH TYR 3 0.548 -2.322 2.870 27 H LYS 4 H LYS 4 7.481 1.772 5.831 28 HA LYS 4 HA LYS 4 10.228 1.611 4.653 29 HB2 LYS 4 HB2 LYS 4 8.800 3.927 5.224 30 HB3 LYS 4 HB3 LYS 4 9.844 3.734 6.626 31 HG2 LYS 4 HG2 LYS 4 11.800 3.692 5.220 32 HG3 LYS 4 HG3 LYS 4 10.796 3.738 3.769 33 HD2 LYS 4 HD2 LYS 4 11.549 5.950 4.089 34 HD3 LYS 4 HD3 LYS 4 9.877 5.935 4.654 35 HE2 LYS 4 HE2 LYS 4 10.872 5.491 6.975 36 HE3 LYS 4 HE3 LYS 4 12.407 5.993 6.268 37 HZ1 LYS 4 HZ1 LYS 4 9.989 7.682 6.083 38 HZ2 LYS 4 HZ2 LYS 4 11.605 8.134 5.876 39 HZ3 LYS 4 HZ3 LYS 4 11.024 7.760 7.419 40 H LEU 5 H LEU 5 11.976 1.351 6.120 41 HA LEU 5 HA LEU 5 11.220 0.598 8.892 42 HB2 LEU 5 HB2 LEU 5 11.162 -1.526 7.956 43 HB3 LEU 5 HB3 LEU 5 12.472 -1.180 6.829 44 HG LEU 5 HG LEU 5 14.090 -1.308 8.645 45 HD11 LEU 5 HD11 LEU 5 11.813 -0.930 10.273 46 HD12 LEU 5 HD12 LEU 5 13.502 -1.051 10.764 47 HD13 LEU 5 HD13 LEU 5 12.501 -2.501 10.683 48 HD21 LEU 5 HD21 LEU 5 13.867 -3.708 9.147 49 HD22 LEU 5 HD22 LEU 5 13.580 -3.348 7.445 50 HD23 LEU 5 HD23 LEU 5 12.219 -3.671 8.519 51 H VAL 6 H VAL 6 12.403 1.900 10.110 52 HA VAL 6 HA VAL 6 15.127 2.635 9.179 53 HB VAL 6 HB VAL 6 13.505 3.718 11.498 54 HG11 VAL 6 HG11 VAL 6 16.137 4.574 10.308 55 HG12 VAL 6 HG12 VAL 6 15.191 5.561 11.424 56 HG13 VAL 6 HG13 VAL 6 15.835 4.004 11.949 57 HG21 VAL 6 HG21 VAL 6 12.585 4.172 9.214 58 HG22 VAL 6 HG22 VAL 6 13.027 5.614 10.128 59 HG23 VAL 6 HG23 VAL 6 14.084 5.025 8.846 60 H ILE 7 H ILE 7 16.983 2.309 10.379 61 HA ILE 7 HA ILE 7 16.670 0.299 12.574 62 HB ILE 7 HB ILE 7 18.992 0.726 10.677 63 HG12 ILE 7 HG12 ILE 7 17.396 -1.798 10.967 64 HG13 ILE 7 HG13 ILE 7 16.787 -0.487 9.962 65 HG21 ILE 7 HG21 ILE 7 18.666 -1.236 12.944 66 HG22 ILE 7 HG22 ILE 7 19.980 -1.246 11.768 67 HG23 ILE 7 HG23 ILE 7 19.801 0.112 12.878 68 HD11 ILE 7 HD11 ILE 7 19.044 -0.576 8.785 69 HD12 ILE 7 HD12 ILE 7 19.266 -2.125 9.601 70 HD13 ILE 7 HD13 ILE 7 17.915 -1.898 8.492 71 H ASN 8 H ASN 8 16.596 1.578 14.364 72 HA ASN 8 HA ASN 8 18.715 3.633 14.683 73 HB2 ASN 8 HB2 ASN 8 16.054 3.649 15.350 74 HB3 ASN 8 HB3 ASN 8 16.796 3.216 16.887 75 HD21 ASN 8 HD21 ASN 8 18.937 4.594 17.199 76 HD22 ASN 8 HD22 ASN 8 18.689 6.296 17.035 77 H GLY 9 H GLY 9 19.785 1.123 14.630 78 HA2 GLY 9 HA2 GLY 9 19.959 -0.027 17.282 79 HA3 GLY 9 HA3 GLY 9 20.975 -0.415 15.902 80 H LYS 10 H LYS 10 22.736 -0.560 17.418 81 HA LYS 10 HA LYS 10 23.577 1.988 18.653 82 HB2 LYS 10 HB2 LYS 10 23.855 -0.667 19.376 83 HB3 LYS 10 HB3 LYS 10 25.455 -0.265 18.766 84 HG2 LYS 10 HG2 LYS 10 25.412 0.123 21.123 85 HG3 LYS 10 HG3 LYS 10 25.495 1.683 20.301 86 HD2 LYS 10 HD2 LYS 10 23.070 1.949 20.592 87 HD3 LYS 10 HD3 LYS 10 23.010 0.402 21.441 88 HE2 LYS 10 HE2 LYS 10 23.860 1.268 23.341 89 HE3 LYS 10 HE3 LYS 10 24.973 2.330 22.480 90 HZ1 LYS 10 HZ1 LYS 10 22.418 2.918 23.583 91 HZ2 LYS 10 HZ2 LYS 10 22.472 3.322 21.942 92 HZ3 LYS 10 HZ3 LYS 10 23.607 3.977 23.012 93 H THR 11 H THR 11 24.801 -0.387 16.269 94 HA THR 11 HA THR 11 26.691 1.733 15.326 95 HB THR 11 HB THR 11 28.075 -0.047 14.407 96 HG1 THR 11 HG1 THR 11 27.240 -1.955 14.076 97 HG21 THR 11 HG21 THR 11 28.698 -1.211 16.539 98 HG22 THR 11 HG22 THR 11 27.282 -0.473 17.287 99 HG23 THR 11 HG23 THR 11 28.585 0.543 16.671 100 H LEU 12 H LEU 12 24.721 -1.037 14.163 101 HA LEU 12 HA LEU 12 24.828 -0.149 11.414 102 HB2 LEU 12 HB2 LEU 12 24.474 -2.475 11.968 103 HB3 LEU 12 HB3 LEU 12 22.996 -2.081 12.843 104 HG LEU 12 HG LEU 12 21.858 -1.542 10.802 105 HD11 LEU 12 HD11 LEU 12 23.325 -0.486 9.389 106 HD12 LEU 12 HD12 LEU 12 23.207 -2.072 8.627 107 HD13 LEU 12 HD13 LEU 12 24.599 -1.681 9.638 108 HD21 LEU 12 HD21 LEU 12 22.904 -4.095 11.406 109 HD22 LEU 12 HD22 LEU 12 22.948 -3.914 9.652 110 HD23 LEU 12 HD23 LEU 12 21.429 -3.700 10.524 111 H LYS 13 H LYS 13 23.743 1.421 10.459 112 HA LYS 13 HA LYS 13 21.032 2.088 11.484 113 HB2 LYS 13 HB2 LYS 13 23.003 4.265 10.791 114 HB3 LYS 13 HB3 LYS 13 21.466 4.407 11.634 115 HG2 LYS 13 HG2 LYS 13 22.526 3.011 13.476 116 HG3 LYS 13 HG3 LYS 13 24.064 3.319 12.666 117 HD2 LYS 13 HD2 LYS 13 23.808 4.965 14.374 118 HD3 LYS 13 HD3 LYS 13 23.555 5.767 12.823 119 HE2 LYS 13 HE2 LYS 13 21.030 4.881 13.567 120 HE3 LYS 13 HE3 LYS 13 21.751 5.457 15.069 121 HZ1 LYS 13 HZ1 LYS 13 21.370 7.523 14.421 122 HZ2 LYS 13 HZ2 LYS 13 20.665 6.969 12.987 123 HZ3 LYS 13 HZ3 LYS 13 22.323 7.303 13.041 124 H GLY 14 H GLY 14 19.610 2.946 9.962 125 HA2 GLY 14 HA2 GLY 14 20.064 4.001 7.489 126 HA3 GLY 14 HA3 GLY 14 20.346 2.290 7.202 127 H GLU 15 H GLU 15 18.479 3.039 5.665 128 HA GLU 15 HA GLU 15 15.982 2.164 7.034 129 HB2 GLU 15 HB2 GLU 15 15.827 4.278 4.913 130 HB3 GLU 15 HB3 GLU 15 14.689 3.901 6.199 131 HG2 GLU 15 HG2 GLU 15 16.231 4.854 7.840 132 HG3 GLU 15 HG3 GLU 15 17.360 5.246 6.544 133 H THR 16 H THR 16 14.325 1.361 5.545 134 HA THR 16 HA THR 16 15.253 0.675 2.833 135 HB THR 16 HB THR 16 16.176 -1.134 4.296 136 HG1 THR 16 HG1 THR 16 15.623 -2.663 2.831 137 HG21 THR 16 HG21 THR 16 13.264 -1.778 4.783 138 HG22 THR 16 HG22 THR 16 14.394 -1.157 5.986 139 HG23 THR 16 HG23 THR 16 14.641 -2.756 5.286 140 H THR 17 H THR 17 13.513 -0.878 1.805 141 HA THR 17 HA THR 17 10.809 -0.206 2.828 142 HB THR 17 HB THR 17 10.036 0.591 0.663 143 HG1 THR 17 HG1 THR 17 11.189 0.218 -1.063 144 HG21 THR 17 HG21 THR 17 12.495 2.030 1.661 145 HG22 THR 17 HG22 THR 17 10.825 2.301 2.159 146 HG23 THR 17 HG23 THR 17 11.336 2.717 0.524 147 H THR 18 H THR 18 9.083 -1.316 1.475 148 HA THR 18 HA THR 18 9.989 -3.700 0.024 149 HB THR 18 HB THR 18 10.072 -4.300 2.506 150 HG1 THR 18 HG1 THR 18 9.915 -5.904 0.897 151 HG21 THR 18 HG21 THR 18 7.075 -4.436 2.271 152 HG22 THR 18 HG22 THR 18 7.897 -3.045 2.978 153 HG23 THR 18 HG23 THR 18 8.075 -4.639 3.709 154 H LYS 19 H LYS 19 7.774 -5.214 -0.067 155 HA LYS 19 HA LYS 19 5.455 -3.446 -0.546 156 HB2 LYS 19 HB2 LYS 19 7.032 -4.814 -2.692 157 HB3 LYS 19 HB3 LYS 19 5.283 -4.736 -2.860 158 HG2 LYS 19 HG2 LYS 19 5.367 -2.305 -2.692 159 HG3 LYS 19 HG3 LYS 19 7.121 -2.376 -2.504 160 HD2 LYS 19 HD2 LYS 19 5.568 -3.342 -4.907 161 HD3 LYS 19 HD3 LYS 19 6.467 -1.825 -4.806 162 HE2 LYS 19 HE2 LYS 19 8.160 -3.008 -5.678 163 HE3 LYS 19 HE3 LYS 19 8.353 -3.638 -4.043 164 HZ1 LYS 19 HZ1 LYS 19 6.378 -5.060 -5.555 165 HZ2 LYS 19 HZ2 LYS 19 7.700 -5.652 -4.683 166 HZ3 LYS 19 HZ3 LYS 19 7.907 -5.121 -6.276 167 H ALA 20 H ALA 20 4.028 -4.446 0.726 168 HA ALA 20 HA ALA 20 3.529 -7.330 0.148 169 HB1 ALA 20 HB1 ALA 20 4.867 -6.856 2.316 170 HB2 ALA 20 HB2 ALA 20 3.323 -6.291 2.956 171 HB3 ALA 20 HB3 ALA 20 3.486 -7.951 2.385 172 H VAL 21 H VAL 21 1.381 -8.070 0.749 173 HA VAL 21 HA VAL 21 -0.597 -5.986 0.153 174 HB VAL 21 HB VAL 21 -2.219 -7.900 0.234 175 HG11 VAL 21 HG11 VAL 21 -0.471 -7.175 -1.720 176 HG12 VAL 21 HG12 VAL 21 -0.149 -8.904 -1.584 177 HG13 VAL 21 HG13 VAL 21 -1.784 -8.334 -1.925 178 HG21 VAL 21 HG21 VAL 21 -1.670 -9.826 1.192 179 HG22 VAL 21 HG22 VAL 21 -0.332 -10.032 0.061 180 HG23 VAL 21 HG23 VAL 21 -0.080 -9.169 1.578 181 H ASP 22 H ASP 22 0.936 -6.787 2.906 182 HA ASP 22 HA ASP 22 -0.923 -5.475 4.599 183 HB2 ASP 22 HB2 ASP 22 -1.435 -7.571 6.049 184 HB3 ASP 22 HB3 ASP 22 -2.402 -7.286 4.605 185 H ALA 23 H ALA 23 -0.145 -5.170 6.709 186 HA ALA 23 HA ALA 23 2.639 -5.098 6.993 187 HB1 ALA 23 HB1 ALA 23 1.465 -5.413 9.582 188 HB2 ALA 23 HB2 ALA 23 2.053 -3.946 8.798 189 HB3 ALA 23 HB3 ALA 23 0.380 -4.457 8.572 190 H GLU 24 H GLU 24 0.410 -7.737 7.577 191 HA GLU 24 HA GLU 24 2.156 -9.305 9.239 192 HB2 GLU 24 HB2 GLU 24 -0.157 -9.854 9.232 193 HB3 GLU 24 HB3 GLU 24 -0.203 -9.991 7.480 194 HG2 GLU 24 HG2 GLU 24 0.708 -12.079 7.475 195 HG3 GLU 24 HG3 GLU 24 1.594 -11.818 8.976 196 H THR 25 H THR 25 1.738 -8.958 5.745 197 HA THR 25 HA THR 25 3.566 -11.190 5.189 198 HB THR 25 HB THR 25 2.239 -9.153 3.380 199 HG1 THR 25 HG1 THR 25 0.675 -10.561 3.534 200 HG21 THR 25 HG21 THR 25 3.012 -10.606 1.523 201 HG22 THR 25 HG22 THR 25 3.994 -11.508 2.677 202 HG23 THR 25 HG23 THR 25 4.336 -9.806 2.369 203 H ALA 26 H ALA 26 3.630 -7.658 5.302 204 HA ALA 26 HA ALA 26 6.276 -7.477 4.094 205 HB1 ALA 26 HB1 ALA 26 4.212 -5.652 5.018 206 HB2 ALA 26 HB2 ALA 26 5.828 -5.113 5.476 207 HB3 ALA 26 HB3 ALA 26 5.451 -5.429 3.782 208 H GLU 27 H GLU 27 4.935 -7.697 7.349 209 HA GLU 27 HA GLU 27 7.101 -6.796 8.872 210 HB2 GLU 27 HB2 GLU 27 4.870 -8.695 9.267 211 HB3 GLU 27 HB3 GLU 27 6.241 -8.932 10.341 212 HG2 GLU 27 HG2 GLU 27 6.085 -6.630 11.089 213 HG3 GLU 27 HG3 GLU 27 4.751 -6.343 9.973 214 H LYS 28 H LYS 28 6.484 -10.181 7.835 215 HA LYS 28 HA LYS 28 8.827 -11.331 8.820 216 HB2 LYS 28 HB2 LYS 28 7.043 -11.911 6.491 217 HB3 LYS 28 HB3 LYS 28 8.567 -12.781 6.603 218 HG2 LYS 28 HG2 LYS 28 7.232 -14.224 7.735 219 HG3 LYS 28 HG3 LYS 28 7.734 -13.195 9.078 220 HD2 LYS 28 HD2 LYS 28 5.687 -11.959 8.984 221 HD3 LYS 28 HD3 LYS 28 5.213 -12.758 7.484 222 HE2 LYS 28 HE2 LYS 28 5.468 -14.927 8.958 223 HE3 LYS 28 HE3 LYS 28 5.204 -13.789 10.279 224 HZ1 LYS 28 HZ1 LYS 28 3.234 -14.995 8.977 225 HZ2 LYS 28 HZ2 LYS 28 3.365 -13.595 8.037 226 HZ3 LYS 28 HZ3 LYS 28 3.066 -13.474 9.698 227 H ALA 29 H ALA 29 8.330 -9.713 5.669 228 HA ALA 29 HA ALA 29 10.961 -10.166 4.675 229 HB1 ALA 29 HB1 ALA 29 8.926 -8.014 4.095 230 HB2 ALA 29 HB2 ALA 29 10.451 -8.164 3.221 231 HB3 ALA 29 HB3 ALA 29 9.268 -9.472 3.163 232 H PHE 30 H PHE 30 9.642 -7.762 6.886 233 HA PHE 30 HA PHE 30 12.055 -6.105 6.773 234 HB2 PHE 30 HB2 PHE 30 9.492 -6.058 8.345 235 HB3 PHE 30 HB3 PHE 30 10.857 -5.078 8.868 236 HD1 PHE 30 HD2 PHE 30 12.003 -4.161 6.359 237 HD2 PHE 30 HD1 PHE 30 7.924 -4.600 7.491 238 HE1 PHE 30 HE2 PHE 30 11.370 -2.418 4.742 239 HE2 PHE 30 HE1 PHE 30 7.284 -2.859 5.875 240 HZ PHE 30 HZ PHE 30 9.009 -1.764 4.499 241 H LYS 31 H LYS 31 10.785 -8.748 8.689 242 HA LYS 31 HA LYS 31 12.643 -8.366 10.895 243 HB2 LYS 31 HB2 LYS 31 10.896 -10.696 10.062 244 HB3 LYS 31 HB3 LYS 31 11.879 -10.688 11.521 245 HG2 LYS 31 HG2 LYS 31 10.316 -8.309 11.462 246 HG3 LYS 31 HG3 LYS 31 9.264 -9.695 11.164 247 HD2 LYS 31 HD2 LYS 31 10.305 -10.790 13.171 248 HD3 LYS 31 HD3 LYS 31 11.109 -9.255 13.507 249 HE2 LYS 31 HE2 LYS 31 8.989 -8.143 13.754 250 HE3 LYS 31 HE3 LYS 31 8.124 -9.591 13.244 251 HZ1 LYS 31 HZ1 LYS 31 8.537 -8.942 15.789 252 HZ2 LYS 31 HZ2 LYS 31 9.893 -9.916 15.521 253 HZ3 LYS 31 HZ3 LYS 31 8.342 -10.537 15.257 254 H GLN 32 H GLN 32 12.475 -10.456 8.011 255 HA GLN 32 HA GLN 32 14.783 -12.013 8.610 256 HB2 GLN 32 HB2 GLN 32 13.276 -12.744 6.901 257 HB3 GLN 32 HB3 GLN 32 13.475 -11.253 5.990 258 HG2 GLN 32 HG2 GLN 32 15.249 -12.036 4.915 259 HG3 GLN 32 HG3 GLN 32 15.999 -12.601 6.407 260 HE21 GLN 32 HE21 GLN 32 15.673 -13.781 3.665 261 HE22 GLN 32 HE22 GLN 32 15.015 -15.353 3.947 262 H TYR 33 H TYR 33 14.414 -9.112 6.528 263 HA TYR 33 HA TYR 33 17.076 -8.842 5.731 264 HB2 TYR 33 HB2 TYR 33 15.325 -7.419 4.847 265 HB3 TYR 33 HB3 TYR 33 15.061 -6.684 6.424 266 HD1 TYR 33 HD2 TYR 33 17.574 -7.041 3.712 267 HD2 TYR 33 HD1 TYR 33 16.273 -4.783 7.075 268 HE1 TYR 33 HE2 TYR 33 19.214 -5.292 3.165 269 HE2 TYR 33 HE1 TYR 33 17.909 -3.027 6.536 270 HH TYR 33 HH TYR 33 20.446 -3.468 4.414 271 H ALA 34 H ALA 34 15.547 -7.830 8.776 272 HA ALA 34 HA ALA 34 17.866 -6.436 9.772 273 HB1 ALA 34 HB1 ALA 34 16.059 -5.765 10.958 274 HB2 ALA 34 HB2 ALA 34 15.257 -7.333 10.848 275 HB3 ALA 34 HB3 ALA 34 16.547 -7.083 12.024 276 H ASN 35 H ASN 35 16.424 -9.568 10.805 277 HA ASN 35 HA ASN 35 18.488 -10.400 12.476 278 HB2 ASN 35 HB2 ASN 35 16.362 -11.726 10.919 279 HB3 ASN 35 HB3 ASN 35 17.726 -12.766 11.313 280 HD21 ASN 35 HD21 ASN 35 16.171 -13.935 12.596 281 HD22 ASN 35 HD22 ASN 35 15.799 -13.387 14.191 282 H ASP 36 H ASP 36 18.202 -10.894 8.946 283 HA ASP 36 HA ASP 36 20.473 -12.475 8.538 284 HB2 ASP 36 HB2 ASP 36 19.227 -10.307 6.837 285 HB3 ASP 36 HB3 ASP 36 20.577 -11.287 6.272 286 H ASN 37 H ASN 37 20.244 -9.050 9.276 287 HA ASN 37 HA ASN 37 23.224 -8.883 9.052 288 HB2 ASN 37 HB2 ASN 37 21.152 -6.671 8.881 289 HB3 ASN 37 HB3 ASN 37 22.896 -6.431 8.832 290 HD21 ASN 37 HD21 ASN 37 23.716 -8.463 7.223 291 HD22 ASN 37 HD22 ASN 37 23.070 -8.255 5.634 292 H GLY 38 H GLY 38 21.706 -9.983 11.297 293 HA2 GLY 38 HA2 GLY 38 21.840 -9.858 13.604 294 HA3 GLY 38 HA3 GLY 38 23.075 -8.624 13.407 295 H VAL 39 H VAL 39 22.110 -7.728 15.374 296 HA VAL 39 HA VAL 39 20.901 -6.035 16.356 297 HB VAL 39 HB VAL 39 19.710 -5.415 13.646 298 HG11 VAL 39 HG11 VAL 39 19.110 -4.372 16.079 299 HG12 VAL 39 HG12 VAL 39 20.379 -3.272 15.537 300 HG13 VAL 39 HG13 VAL 39 18.935 -3.510 14.551 301 HG21 VAL 39 HG21 VAL 39 22.440 -4.950 14.712 302 HG22 VAL 39 HG22 VAL 39 21.906 -5.241 13.057 303 HG23 VAL 39 HG23 VAL 39 21.688 -3.650 13.787 304 H ASP 40 H ASP 40 19.150 -6.191 17.596 305 HA ASP 40 HA ASP 40 16.619 -7.158 16.446 306 HB2 ASP 40 HB2 ASP 40 18.219 -9.103 17.384 307 HB3 ASP 40 HB3 ASP 40 17.465 -8.619 18.901 308 H GLY 41 H GLY 41 15.232 -5.664 17.104 309 HA2 GLY 41 HA2 GLY 41 15.387 -4.854 19.979 310 HA3 GLY 41 HA3 GLY 41 15.119 -3.677 18.702 311 H VAL 42 H VAL 42 13.123 -2.937 19.180 312 HA VAL 42 HA VAL 42 10.982 -4.991 19.505 313 HB VAL 42 HB VAL 42 9.606 -3.160 20.411 314 HG11 VAL 42 HG11 VAL 42 11.205 -2.662 22.429 315 HG12 VAL 42 HG12 VAL 42 10.610 -4.298 22.137 316 HG13 VAL 42 HG13 VAL 42 12.238 -3.847 21.630 317 HG21 VAL 42 HG21 VAL 42 11.430 -1.156 21.018 318 HG22 VAL 42 HG22 VAL 42 11.745 -1.541 19.326 319 HG23 VAL 42 HG23 VAL 42 10.124 -1.070 19.836 320 H TRP 43 H TRP 43 9.502 -5.298 17.979 321 HA TRP 43 HA TRP 43 9.609 -3.523 15.608 322 HB2 TRP 43 HB2 TRP 43 8.168 -6.158 16.052 323 HB3 TRP 43 HB3 TRP 43 8.262 -5.286 14.525 324 HD1 TRP 43 HD1 TRP 43 10.259 -7.587 16.784 325 HE1 TRP 43 HE1 TRP 43 12.414 -8.298 15.569 326 HE3 TRP 43 HE3 TRP 43 10.006 -4.432 12.769 327 HZ2 TRP 43 HZ2 TRP 43 13.821 -7.611 13.220 328 HZ3 TRP 43 HZ3 TRP 43 11.797 -4.522 11.083 329 HH2 TRP 43 HH2 TRP 43 13.664 -6.079 11.306 330 H THR 44 H THR 44 8.176 -1.981 15.233 331 HA THR 44 HA THR 44 5.482 -2.250 16.499 332 HB THR 44 HB THR 44 5.655 0.376 16.620 333 HG1 THR 44 HG1 THR 44 7.852 0.957 17.208 334 HG21 THR 44 HG21 THR 44 6.549 -1.728 18.502 335 HG22 THR 44 HG22 THR 44 5.271 -0.525 18.672 336 HG23 THR 44 HG23 THR 44 6.955 -0.065 18.921 337 H TYR 45 H TYR 45 3.934 -2.214 15.028 338 HA TYR 45 HA TYR 45 4.414 -0.593 12.560 339 HB2 TYR 45 HB2 TYR 45 4.258 -2.501 11.396 340 HB3 TYR 45 HB3 TYR 45 3.835 -3.417 12.838 341 HD1 TYR 45 HD1 TYR 45 2.384 -1.251 10.187 342 HD2 TYR 45 HD2 TYR 45 1.663 -4.244 13.125 343 HE1 TYR 45 HE1 TYR 45 0.098 -1.537 9.327 344 HE2 TYR 45 HE2 TYR 45 -0.625 -4.538 12.272 345 HH TYR 45 HH TYR 45 -1.885 -4.154 10.209 346 H ASP 46 H ASP 46 2.847 0.774 11.936 347 HA ASP 46 HA ASP 46 0.347 0.737 13.577 348 HB2 ASP 46 HB2 ASP 46 1.747 2.729 13.939 349 HB3 ASP 46 HB3 ASP 46 1.714 3.078 12.213 350 H ASP 47 H ASP 47 -1.638 1.332 12.565 351 HA ASP 47 HA ASP 47 -1.870 0.190 9.905 352 HB2 ASP 47 HB2 ASP 47 -3.797 -0.244 11.054 353 HB3 ASP 47 HB3 ASP 47 -3.712 1.250 11.984 354 H ALA 48 H ALA 48 -2.586 3.447 11.245 355 HA ALA 48 HA ALA 48 -3.179 4.719 8.820 356 HB1 ALA 48 HB1 ALA 48 -3.353 5.630 11.186 357 HB2 ALA 48 HB2 ALA 48 -1.645 6.052 11.047 358 HB3 ALA 48 HB3 ALA 48 -2.822 6.764 9.943 359 H THR 49 H THR 49 -0.010 4.883 10.515 360 HA THR 49 HA THR 49 1.245 5.645 7.943 361 HB THR 49 HB THR 49 1.847 6.930 9.945 362 HG1 THR 49 HG1 THR 49 3.570 6.995 8.672 363 HG21 THR 49 HG21 THR 49 3.161 5.910 11.743 364 HG22 THR 49 HG22 THR 49 2.977 4.328 10.985 365 HG23 THR 49 HG23 THR 49 1.566 5.170 11.624 366 H LYS 50 H LYS 50 3.447 4.681 7.479 367 HA LYS 50 HA LYS 50 3.454 1.770 8.153 368 HB2 LYS 50 HB2 LYS 50 4.056 2.954 5.427 369 HB3 LYS 50 HB3 LYS 50 4.089 1.248 5.855 370 HG2 LYS 50 HG2 LYS 50 1.975 1.112 5.218 371 HG3 LYS 50 HG3 LYS 50 1.543 2.153 6.576 372 HD2 LYS 50 HD2 LYS 50 2.522 3.338 4.006 373 HD3 LYS 50 HD3 LYS 50 0.838 2.838 4.175 374 HE2 LYS 50 HE2 LYS 50 0.796 4.246 6.292 375 HE3 LYS 50 HE3 LYS 50 2.337 4.913 5.755 376 HZ1 LYS 50 HZ1 LYS 50 0.609 5.044 3.591 377 HZ2 LYS 50 HZ2 LYS 50 1.200 6.331 4.516 378 HZ3 LYS 50 HZ3 LYS 50 -0.270 5.600 4.925 379 H THR 51 H THR 51 4.924 3.797 9.465 380 HA THR 51 HA THR 51 7.681 3.315 8.409 381 HB THR 51 HB THR 51 6.585 5.522 10.168 382 HG1 THR 51 HG1 THR 51 7.702 5.365 7.565 383 HG21 THR 51 HG21 THR 51 9.396 4.612 9.713 384 HG22 THR 51 HG22 THR 51 8.633 5.205 11.188 385 HG23 THR 51 HG23 THR 51 9.061 6.333 9.902 386 H PHE 52 H PHE 52 8.475 1.535 9.345 387 HA PHE 52 HA PHE 52 7.975 1.156 12.257 388 HB2 PHE 52 HB2 PHE 52 9.310 -0.841 10.432 389 HB3 PHE 52 HB3 PHE 52 8.454 -1.130 11.943 390 HD1 PHE 52 HD1 PHE 52 5.993 0.482 11.408 391 HD2 PHE 52 HD2 PHE 52 8.160 -2.240 8.957 392 HE1 PHE 52 HE1 PHE 52 3.939 -0.014 10.149 393 HE2 PHE 52 HE2 PHE 52 6.110 -2.739 7.693 394 HZ PHE 52 HZ PHE 52 3.995 -1.625 8.287 395 H THR 53 H THR 53 9.642 0.819 13.730 396 HA THR 53 HA THR 53 12.392 1.369 12.717 397 HB THR 53 HB THR 53 11.098 2.745 15.090 398 HG1 THR 53 HG1 THR 53 10.637 3.567 12.918 399 HG21 THR 53 HG21 THR 53 13.324 4.012 15.059 400 HG22 THR 53 HG22 THR 53 13.933 2.668 14.092 401 HG23 THR 53 HG23 THR 53 13.332 2.379 15.724 402 H VAL 54 H VAL 54 14.029 0.319 13.754 403 HA VAL 54 HA VAL 54 13.223 -1.380 16.081 404 HB VAL 54 HB VAL 54 13.398 -2.761 14.048 405 HG11 VAL 54 HG11 VAL 54 16.305 -2.553 13.817 406 HG12 VAL 54 HG12 VAL 54 15.068 -2.638 12.560 407 HG13 VAL 54 HG13 VAL 54 15.442 -1.094 13.329 408 HG21 VAL 54 HG21 VAL 54 14.933 -4.435 14.934 409 HG22 VAL 54 HG22 VAL 54 15.661 -3.225 15.990 410 HG23 VAL 54 HG23 VAL 54 13.982 -3.709 16.231 411 H THR 55 H THR 55 14.588 -1.453 17.776 412 HA THR 55 HA THR 55 17.110 0.128 17.482 413 HB THR 55 HB THR 55 16.945 0.756 19.765 414 HG1 THR 55 HG1 THR 55 16.020 -0.516 21.173 415 HG21 THR 55 HG21 THR 55 15.400 1.936 18.218 416 HG22 THR 55 HG22 THR 55 14.831 1.918 19.887 417 HG23 THR 55 HG23 THR 55 14.121 0.823 18.701 418 H GLU 56 H GLU 56 18.444 -0.543 19.745 419 HA GLU 56 HA GLU 56 18.860 -3.488 19.407 420 HB2 GLU 56 HB2 GLU 56 20.800 -1.208 19.594 421 HB3 GLU 56 HB3 GLU 56 21.270 -2.783 20.217 422 HG2 GLU 56 HG2 GLU 56 20.124 -3.140 17.641 423 HG3 GLU 56 HG3 GLU 56 21.327 -1.855 17.551 Start of MODEL 6 1 H1 MET 1 H MET 1 0.302 0.628 -1.327 2 HA MET 1 HA MET 1 1.922 -1.489 -0.863 3 HB2 MET 1 HB2 MET 1 1.778 0.191 -3.369 4 HB3 MET 1 HB3 MET 1 2.562 -1.381 -3.290 5 HG2 MET 1 HG2 MET 1 -0.067 -1.601 -2.210 6 HG3 MET 1 HG3 MET 1 -0.149 -0.801 -3.778 7 HE1 MET 1 HE1 MET 1 0.396 -3.336 -6.320 8 HE2 MET 1 HE2 MET 1 -1.108 -2.797 -5.573 9 HE3 MET 1 HE3 MET 1 0.201 -1.647 -5.850 10 H GLN 2 H GLN 2 2.915 1.068 0.383 11 HA GLN 2 HA GLN 2 5.757 0.513 -0.122 12 HB2 GLN 2 HB2 GLN 2 4.474 2.698 -1.415 13 HB3 GLN 2 HB3 GLN 2 5.492 3.369 -0.148 14 HG2 GLN 2 HG2 GLN 2 7.361 1.944 -1.073 15 HG3 GLN 2 HG3 GLN 2 6.311 1.630 -2.454 16 HE21 GLN 2 HE21 GLN 2 8.873 2.970 -2.395 17 HE22 GLN 2 HE22 GLN 2 8.610 4.561 -3.014 18 H TYR 3 H TYR 3 6.624 0.293 1.814 19 HA TYR 3 HA TYR 3 5.646 2.120 3.974 20 HB2 TYR 3 HB2 TYR 3 6.734 -0.607 4.597 21 HB3 TYR 3 HB3 TYR 3 5.612 0.386 5.520 22 HD1 TYR 3 HD1 TYR 3 3.494 0.996 3.659 23 HD2 TYR 3 HD2 TYR 3 5.694 -2.617 4.119 24 HE1 TYR 3 HE1 TYR 3 1.602 -0.268 2.725 25 HE2 TYR 3 HE2 TYR 3 3.809 -3.891 3.186 26 HH TYR 3 HH TYR 3 1.599 -2.879 1.420 27 H LYS 4 H LYS 4 7.252 2.184 5.861 28 HA LYS 4 HA LYS 4 10.018 2.300 4.721 29 HB2 LYS 4 HB2 LYS 4 8.529 4.460 5.503 30 HB3 LYS 4 HB3 LYS 4 9.399 4.090 6.986 31 HG2 LYS 4 HG2 LYS 4 10.603 5.728 5.672 32 HG3 LYS 4 HG3 LYS 4 11.519 4.222 5.773 33 HD2 LYS 4 HD2 LYS 4 11.501 3.976 3.557 34 HD3 LYS 4 HD3 LYS 4 9.755 4.230 3.481 35 HE2 LYS 4 HE2 LYS 4 10.764 5.939 2.176 36 HE3 LYS 4 HE3 LYS 4 10.210 6.693 3.670 37 HZ1 LYS 4 HZ1 LYS 4 12.942 6.180 2.750 38 HZ2 LYS 4 HZ2 LYS 4 12.644 6.138 4.414 39 HZ3 LYS 4 HZ3 LYS 4 12.305 7.539 3.530 40 H LEU 5 H LEU 5 11.764 1.887 6.146 41 HA LEU 5 HA LEU 5 11.016 0.690 8.763 42 HB2 LEU 5 HB2 LEU 5 11.093 -1.174 7.222 43 HB3 LEU 5 HB3 LEU 5 12.669 -0.660 6.623 44 HG LEU 5 HG LEU 5 13.468 -1.048 9.048 45 HD11 LEU 5 HD11 LEU 5 12.231 -2.557 10.380 46 HD12 LEU 5 HD12 LEU 5 11.073 -2.866 9.088 47 HD13 LEU 5 HD13 LEU 5 11.102 -1.295 9.888 48 HD21 LEU 5 HD21 LEU 5 14.440 -2.821 8.131 49 HD22 LEU 5 HD22 LEU 5 13.344 -2.655 6.759 50 HD23 LEU 5 HD23 LEU 5 12.915 -3.708 8.108 51 H VAL 6 H VAL 6 12.039 2.049 10.095 52 HA VAL 6 HA VAL 6 14.789 2.921 9.395 53 HB VAL 6 HB VAL 6 12.971 3.787 11.659 54 HG11 VAL 6 HG11 VAL 6 15.142 4.170 12.431 55 HG12 VAL 6 HG12 VAL 6 15.729 4.630 10.832 56 HG13 VAL 6 HG13 VAL 6 14.662 5.713 11.726 57 HG21 VAL 6 HG21 VAL 6 11.960 5.018 10.105 58 HG22 VAL 6 HG22 VAL 6 13.465 5.923 9.939 59 HG23 VAL 6 HG23 VAL 6 13.138 4.551 8.879 60 H ILE 7 H ILE 7 16.584 2.544 10.660 61 HA ILE 7 HA ILE 7 16.205 0.394 12.708 62 HB ILE 7 HB ILE 7 18.617 0.976 10.970 63 HG12 ILE 7 HG12 ILE 7 16.800 -1.440 11.010 64 HG13 ILE 7 HG13 ILE 7 16.657 -0.121 9.853 65 HG21 ILE 7 HG21 ILE 7 18.176 -1.039 13.161 66 HG22 ILE 7 HG22 ILE 7 19.472 -1.165 11.973 67 HG23 ILE 7 HG23 ILE 7 19.414 0.213 13.073 68 HD11 ILE 7 HD11 ILE 7 18.595 -2.326 9.986 69 HD12 ILE 7 HD12 ILE 7 17.933 -1.469 8.593 70 HD13 ILE 7 HD13 ILE 7 19.247 -0.753 9.526 71 H ASN 8 H ASN 8 16.005 1.581 14.556 72 HA ASN 8 HA ASN 8 18.031 3.670 15.102 73 HB2 ASN 8 HB2 ASN 8 15.373 2.919 16.201 74 HB3 ASN 8 HB3 ASN 8 16.524 3.594 17.350 75 HD21 ASN 8 HD21 ASN 8 17.781 5.531 16.230 76 HD22 ASN 8 HD22 ASN 8 16.735 6.728 15.554 77 H GLY 9 H GLY 9 19.554 1.636 14.957 78 HA2 GLY 9 HA2 GLY 9 19.639 0.166 17.513 79 HA3 GLY 9 HA3 GLY 9 20.677 -0.091 16.118 80 H LYS 10 H LYS 10 22.308 -0.249 17.891 81 HA LYS 10 HA LYS 10 23.070 2.362 19.045 82 HB2 LYS 10 HB2 LYS 10 24.344 -0.377 19.323 83 HB3 LYS 10 HB3 LYS 10 24.789 1.059 20.236 84 HG2 LYS 10 HG2 LYS 10 23.008 0.905 21.613 85 HG3 LYS 10 HG3 LYS 10 21.950 0.265 20.354 86 HD2 LYS 10 HD2 LYS 10 22.180 -1.708 21.381 87 HD3 LYS 10 HD3 LYS 10 23.804 -1.743 20.691 88 HE2 LYS 10 HE2 LYS 10 24.629 -0.584 22.730 89 HE3 LYS 10 HE3 LYS 10 23.011 -0.725 23.417 90 HZ1 LYS 10 HZ1 LYS 10 23.607 -2.709 24.161 91 HZ2 LYS 10 HZ2 LYS 10 25.084 -2.651 23.338 92 HZ3 LYS 10 HZ3 LYS 10 23.708 -3.258 22.564 93 H THR 11 H THR 11 24.320 -0.082 16.772 94 HA THR 11 HA THR 11 26.396 1.914 15.956 95 HB THR 11 HB THR 11 27.730 0.057 15.127 96 HG1 THR 11 HG1 THR 11 25.926 -1.805 16.242 97 HG21 THR 11 HG21 THR 11 28.203 -1.103 17.267 98 HG22 THR 11 HG22 THR 11 26.731 -0.402 17.940 99 HG23 THR 11 HG23 THR 11 28.063 0.645 17.451 100 H LEU 12 H LEU 12 24.329 -0.733 14.683 101 HA LEU 12 HA LEU 12 24.619 0.266 11.953 102 HB2 LEU 12 HB2 LEU 12 24.381 -2.104 12.346 103 HB3 LEU 12 HB3 LEU 12 22.847 -1.855 13.176 104 HG LEU 12 HG LEU 12 21.764 -1.254 11.121 105 HD11 LEU 12 HD11 LEU 12 22.962 -1.263 8.981 106 HD12 LEU 12 HD12 LEU 12 24.482 -1.507 9.841 107 HD13 LEU 12 HD13 LEU 12 23.568 -0.017 10.072 108 HD21 LEU 12 HD21 LEU 12 22.597 -3.748 11.732 109 HD22 LEU 12 HD22 LEU 12 23.287 -3.566 10.119 110 HD23 LEU 12 HD23 LEU 12 21.551 -3.364 10.364 111 H LYS 13 H LYS 13 23.501 1.845 11.054 112 HA LYS 13 HA LYS 13 20.701 2.282 11.961 113 HB2 LYS 13 HB2 LYS 13 22.564 4.611 11.507 114 HB3 LYS 13 HB3 LYS 13 20.985 4.605 12.280 115 HG2 LYS 13 HG2 LYS 13 22.063 3.141 14.072 116 HG3 LYS 13 HG3 LYS 13 23.604 3.634 13.367 117 HD2 LYS 13 HD2 LYS 13 23.095 5.960 13.781 118 HD3 LYS 13 HD3 LYS 13 21.483 5.537 14.361 119 HE2 LYS 13 HE2 LYS 13 22.361 4.463 16.284 120 HE3 LYS 13 HE3 LYS 13 24.003 4.505 15.642 121 HZ1 LYS 13 HZ1 LYS 13 24.136 6.810 15.976 122 HZ2 LYS 13 HZ2 LYS 13 23.439 6.205 17.393 123 HZ3 LYS 13 HZ3 LYS 13 22.471 6.968 16.235 124 H GLY 14 H GLY 14 19.311 3.166 10.420 125 HA2 GLY 14 HA2 GLY 14 19.872 4.381 8.028 126 HA3 GLY 14 HA3 GLY 14 20.186 2.689 7.673 127 H GLU 15 H GLU 15 18.404 3.379 6.074 128 HA GLU 15 HA GLU 15 15.809 2.634 7.357 129 HB2 GLU 15 HB2 GLU 15 15.859 4.438 4.963 130 HB3 GLU 15 HB3 GLU 15 14.632 4.270 6.211 131 HG2 GLU 15 HG2 GLU 15 16.310 5.314 7.798 132 HG3 GLU 15 HG3 GLU 15 17.250 5.726 6.365 133 H THR 16 H THR 16 14.230 1.690 5.852 134 HA THR 16 HA THR 16 15.334 0.612 3.344 135 HB THR 16 HB THR 16 14.330 -1.717 4.343 136 HG1 THR 16 HG1 THR 16 15.619 -1.768 6.455 137 HG21 THR 16 HG21 THR 16 16.591 -1.049 3.210 138 HG22 THR 16 HG22 THR 16 16.488 -2.527 4.166 139 HG23 THR 16 HG23 THR 16 17.202 -1.073 4.863 140 H THR 17 H THR 17 13.661 -0.867 2.266 141 HA THR 17 HA THR 17 10.888 -0.201 3.062 142 HB THR 17 HB THR 17 10.284 0.599 0.825 143 HG1 THR 17 HG1 THR 17 11.646 0.449 -0.790 144 HG21 THR 17 HG21 THR 17 11.419 2.788 0.897 145 HG22 THR 17 HG22 THR 17 12.582 2.131 2.049 146 HG23 THR 17 HG23 THR 17 10.880 2.266 2.492 147 H THR 18 H THR 18 9.276 -1.321 1.609 148 HA THR 18 HA THR 18 10.282 -3.627 0.116 149 HB THR 18 HB THR 18 10.358 -4.313 2.580 150 HG1 THR 18 HG1 THR 18 10.366 -6.028 1.272 151 HG21 THR 18 HG21 THR 18 7.433 -4.809 2.414 152 HG22 THR 18 HG22 THR 18 7.963 -3.180 2.834 153 HG23 THR 18 HG23 THR 18 8.459 -4.552 3.825 154 H LYS 19 H LYS 19 8.135 -5.215 -0.073 155 HA LYS 19 HA LYS 19 5.754 -3.515 -0.507 156 HB2 LYS 19 HB2 LYS 19 7.407 -4.738 -2.679 157 HB3 LYS 19 HB3 LYS 19 5.658 -4.740 -2.867 158 HG2 LYS 19 HG2 LYS 19 5.619 -2.315 -2.619 159 HG3 LYS 19 HG3 LYS 19 7.371 -2.305 -2.406 160 HD2 LYS 19 HD2 LYS 19 7.376 -1.919 -4.629 161 HD3 LYS 19 HD3 LYS 19 7.170 -3.669 -4.729 162 HE2 LYS 19 HE2 LYS 19 4.680 -2.149 -4.398 163 HE3 LYS 19 HE3 LYS 19 5.537 -1.839 -5.907 164 HZ1 LYS 19 HZ1 LYS 19 4.199 -4.254 -4.996 165 HZ2 LYS 19 HZ2 LYS 19 5.650 -4.485 -5.832 166 HZ3 LYS 19 HZ3 LYS 19 4.380 -3.640 -6.562 167 H ALA 20 H ALA 20 4.334 -4.606 0.694 168 HA ALA 20 HA ALA 20 3.979 -7.496 0.038 169 HB1 ALA 20 HB1 ALA 20 3.309 -6.941 2.796 170 HB2 ALA 20 HB2 ALA 20 4.382 -8.168 2.121 171 HB3 ALA 20 HB3 ALA 20 4.997 -6.551 2.462 172 H VAL 21 H VAL 21 1.867 -8.305 0.229 173 HA VAL 21 HA VAL 21 -0.188 -6.557 -0.570 174 HB VAL 21 HB VAL 21 -0.612 -9.147 0.937 175 HG11 VAL 21 HG11 VAL 21 -2.566 -7.605 0.422 176 HG12 VAL 21 HG12 VAL 21 -2.277 -7.982 -1.278 177 HG13 VAL 21 HG13 VAL 21 -2.697 -9.269 -0.146 178 HG21 VAL 21 HG21 VAL 21 -0.730 -9.977 -1.561 179 HG22 VAL 21 HG22 VAL 21 0.360 -8.617 -1.827 180 HG23 VAL 21 HG23 VAL 21 0.807 -9.896 -0.699 181 H ASP 22 H ASP 22 0.823 -7.572 2.665 182 HA ASP 22 HA ASP 22 -0.653 -5.324 3.815 183 HB2 ASP 22 HB2 ASP 22 -1.969 -6.685 5.389 184 HB3 ASP 22 HB3 ASP 22 -2.428 -7.019 3.722 185 H ALA 23 H ALA 23 -0.319 -5.208 6.226 186 HA ALA 23 HA ALA 23 2.416 -5.274 6.826 187 HB1 ALA 23 HB1 ALA 23 0.222 -5.540 8.883 188 HB2 ALA 23 HB2 ALA 23 1.810 -4.795 9.076 189 HB3 ALA 23 HB3 ALA 23 0.598 -4.033 8.047 190 H GLU 24 H GLU 24 0.027 -7.826 7.024 191 HA GLU 24 HA GLU 24 1.276 -9.553 8.866 192 HB2 GLU 24 HB2 GLU 24 -0.909 -10.081 8.074 193 HB3 GLU 24 HB3 GLU 24 -0.379 -10.105 6.398 194 HG2 GLU 24 HG2 GLU 24 0.762 -12.146 6.681 195 HG3 GLU 24 HG3 GLU 24 0.644 -12.053 8.438 196 H THR 25 H THR 25 1.591 -9.575 5.287 197 HA THR 25 HA THR 25 3.877 -11.398 5.470 198 HB THR 25 HB THR 25 2.399 -11.673 3.589 199 HG1 THR 25 HG1 THR 25 4.716 -11.908 3.239 200 HG21 THR 25 HG21 THR 25 2.736 -9.562 1.874 201 HG22 THR 25 HG22 THR 25 2.613 -8.758 3.439 202 HG23 THR 25 HG23 THR 25 1.323 -9.829 2.893 203 H ALA 26 H ALA 26 3.316 -7.970 5.286 204 HA ALA 26 HA ALA 26 5.880 -7.237 4.197 205 HB1 ALA 26 HB1 ALA 26 3.668 -5.864 4.488 206 HB2 ALA 26 HB2 ALA 26 4.371 -5.438 6.049 207 HB3 ALA 26 HB3 ALA 26 5.235 -5.057 4.560 208 H GLU 27 H GLU 27 4.619 -7.674 7.498 209 HA GLU 27 HA GLU 27 6.818 -6.628 8.919 210 HB2 GLU 27 HB2 GLU 27 4.555 -8.390 9.467 211 HB3 GLU 27 HB3 GLU 27 5.969 -8.810 10.423 212 HG2 GLU 27 HG2 GLU 27 6.058 -6.671 11.413 213 HG3 GLU 27 HG3 GLU 27 4.906 -6.009 10.255 214 H LYS 28 H LYS 28 6.216 -10.015 7.901 215 HA LYS 28 HA LYS 28 8.529 -11.189 8.910 216 HB2 LYS 28 HB2 LYS 28 6.694 -11.731 6.656 217 HB3 LYS 28 HB3 LYS 28 8.281 -12.477 6.515 218 HG2 LYS 28 HG2 LYS 28 7.759 -14.038 7.999 219 HG3 LYS 28 HG3 LYS 28 7.210 -12.833 9.167 220 HD2 LYS 28 HD2 LYS 28 5.041 -12.729 8.014 221 HD3 LYS 28 HD3 LYS 28 5.595 -13.961 6.878 222 HE2 LYS 28 HE2 LYS 28 5.851 -15.548 8.710 223 HE3 LYS 28 HE3 LYS 28 5.347 -14.315 9.865 224 HZ1 LYS 28 HZ1 LYS 28 3.301 -15.082 9.547 225 HZ2 LYS 28 HZ2 LYS 28 3.749 -15.997 8.197 226 HZ3 LYS 28 HZ3 LYS 28 3.342 -14.365 8.015 227 H ALA 29 H ALA 29 8.124 -9.484 5.792 228 HA ALA 29 HA ALA 29 10.771 -9.924 4.846 229 HB1 ALA 29 HB1 ALA 29 8.560 -8.814 3.795 230 HB2 ALA 29 HB2 ALA 29 9.474 -7.350 4.162 231 HB3 ALA 29 HB3 ALA 29 10.173 -8.588 3.118 232 H PHE 30 H PHE 30 9.389 -7.434 6.965 233 HA PHE 30 HA PHE 30 11.819 -5.845 7.007 234 HB2 PHE 30 HB2 PHE 30 9.292 -5.874 8.658 235 HB3 PHE 30 HB3 PHE 30 10.641 -4.817 9.058 236 HD1 PHE 30 HD2 PHE 30 11.574 -3.965 6.427 237 HD2 PHE 30 HD1 PHE 30 7.611 -4.492 7.888 238 HE1 PHE 30 HE2 PHE 30 10.758 -2.310 4.800 239 HE2 PHE 30 HE1 PHE 30 6.788 -2.838 6.262 240 HZ PHE 30 HZ PHE 30 8.363 -1.743 4.717 241 H LYS 31 H LYS 31 10.516 -8.532 8.848 242 HA LYS 31 HA LYS 31 12.400 -8.229 11.050 243 HB2 LYS 31 HB2 LYS 31 10.619 -10.533 10.206 244 HB3 LYS 31 HB3 LYS 31 11.571 -10.504 11.685 245 HG2 LYS 31 HG2 LYS 31 10.027 -8.119 11.561 246 HG3 LYS 31 HG3 LYS 31 8.970 -9.497 11.249 247 HD2 LYS 31 HD2 LYS 31 9.770 -10.575 13.293 248 HD3 LYS 31 HD3 LYS 31 10.839 -9.205 13.601 249 HE2 LYS 31 HE2 LYS 31 8.922 -8.879 14.952 250 HE3 LYS 31 HE3 LYS 31 8.781 -7.751 13.604 251 HZ1 LYS 31 HZ1 LYS 31 7.284 -9.328 12.516 252 HZ2 LYS 31 HZ2 LYS 31 6.681 -8.833 14.017 253 HZ3 LYS 31 HZ3 LYS 31 7.387 -10.362 13.852 254 H GLN 32 H GLN 32 12.135 -10.288 8.148 255 HA GLN 32 HA GLN 32 14.303 -11.998 8.625 256 HB2 GLN 32 HB2 GLN 32 12.866 -12.371 6.746 257 HB3 GLN 32 HB3 GLN 32 13.262 -10.807 6.046 258 HG2 GLN 32 HG2 GLN 32 14.977 -11.664 4.946 259 HG3 GLN 32 HG3 GLN 32 15.648 -12.355 6.423 260 HE21 GLN 32 HE21 GLN 32 16.186 -14.360 5.876 261 HE22 GLN 32 HE22 GLN 32 15.127 -15.521 5.159 262 H TYR 33 H TYR 33 14.378 -8.935 6.745 263 HA TYR 33 HA TYR 33 17.145 -8.854 6.314 264 HB2 TYR 33 HB2 TYR 33 15.723 -7.283 5.202 265 HB3 TYR 33 HB3 TYR 33 15.141 -6.620 6.725 266 HD1 TYR 33 HD2 TYR 33 16.554 -5.114 8.045 267 HD2 TYR 33 HD1 TYR 33 17.846 -6.609 4.277 268 HE1 TYR 33 HE2 TYR 33 18.305 -3.389 7.969 269 HE2 TYR 33 HE1 TYR 33 19.602 -4.889 4.191 270 HH TYR 33 HH TYR 33 19.653 -2.211 6.206 271 H ALA 34 H ALA 34 15.312 -8.180 9.221 272 HA ALA 34 HA ALA 34 17.274 -6.655 10.618 273 HB1 ALA 34 HB1 ALA 34 14.741 -7.437 11.144 274 HB2 ALA 34 HB2 ALA 34 15.633 -8.521 12.213 275 HB3 ALA 34 HB3 ALA 34 15.840 -6.775 12.355 276 H ASN 35 H ASN 35 16.566 -10.176 10.721 277 HA ASN 35 HA ASN 35 18.666 -10.860 12.491 278 HB2 ASN 35 HB2 ASN 35 16.861 -12.254 10.654 279 HB3 ASN 35 HB3 ASN 35 18.427 -13.048 10.795 280 HD21 ASN 35 HD21 ASN 35 17.119 -14.757 11.756 281 HD22 ASN 35 HD22 ASN 35 16.757 -14.679 13.443 282 H ASP 36 H ASP 36 18.631 -10.413 8.975 283 HA ASP 36 HA ASP 36 21.064 -11.548 8.257 284 HB2 ASP 36 HB2 ASP 36 19.957 -8.892 7.292 285 HB3 ASP 36 HB3 ASP 36 21.156 -9.874 6.455 286 H ASN 37 H ASN 37 20.487 -8.383 9.785 287 HA ASN 37 HA ASN 37 23.448 -8.098 10.074 288 HB2 ASN 37 HB2 ASN 37 21.311 -5.962 10.350 289 HB3 ASN 37 HB3 ASN 37 23.054 -5.714 10.366 290 HD21 ASN 37 HD21 ASN 37 23.869 -7.285 8.294 291 HD22 ASN 37 HD22 ASN 37 23.228 -6.676 6.809 292 H GLY 38 H GLY 38 21.590 -9.763 11.722 293 HA2 GLY 38 HA2 GLY 38 21.140 -10.134 13.968 294 HA3 GLY 38 HA3 GLY 38 22.715 -9.400 14.230 295 H VAL 39 H VAL 39 19.818 -7.821 12.931 296 HA VAL 39 HA VAL 39 20.029 -5.856 15.143 297 HB VAL 39 HB VAL 39 18.315 -5.782 12.645 298 HG11 VAL 39 HG11 VAL 39 18.691 -3.938 14.948 299 HG12 VAL 39 HG12 VAL 39 18.462 -3.242 13.342 300 HG13 VAL 39 HG13 VAL 39 17.236 -4.312 14.024 301 HG21 VAL 39 HG21 VAL 39 20.797 -5.750 12.269 302 HG22 VAL 39 HG22 VAL 39 19.938 -4.322 11.691 303 HG23 VAL 39 HG23 VAL 39 20.850 -4.252 13.199 304 H ASP 40 H ASP 40 18.860 -6.138 16.906 305 HA ASP 40 HA ASP 40 16.127 -7.306 16.572 306 HB2 ASP 40 HB2 ASP 40 17.957 -8.771 17.706 307 HB3 ASP 40 HB3 ASP 40 17.752 -7.687 19.079 308 H GLY 41 H GLY 41 14.479 -6.489 17.875 309 HA2 GLY 41 HA2 GLY 41 14.866 -4.627 19.980 310 HA3 GLY 41 HA3 GLY 41 14.683 -3.718 18.488 311 H VAL 42 H VAL 42 12.763 -2.780 19.341 312 HA VAL 42 HA VAL 42 10.483 -4.687 19.584 313 HB VAL 42 HB VAL 42 9.254 -2.820 20.595 314 HG11 VAL 42 HG11 VAL 42 11.626 -2.586 22.240 315 HG12 VAL 42 HG12 VAL 42 10.085 -3.371 22.587 316 HG13 VAL 42 HG13 VAL 42 11.347 -4.247 21.720 317 HG21 VAL 42 HG21 VAL 42 11.792 -1.283 20.078 318 HG22 VAL 42 HG22 VAL 42 10.171 -0.925 19.483 319 HG23 VAL 42 HG23 VAL 42 10.540 -0.746 21.198 320 H TRP 43 H TRP 43 8.918 -4.795 18.109 321 HA TRP 43 HA TRP 43 9.124 -2.940 15.800 322 HB2 TRP 43 HB2 TRP 43 7.511 -5.491 16.119 323 HB3 TRP 43 HB3 TRP 43 7.712 -4.569 14.632 324 HD1 TRP 43 HD1 TRP 43 9.531 -7.032 16.899 325 HE1 TRP 43 HE1 TRP 43 11.631 -7.888 15.682 326 HE3 TRP 43 HE3 TRP 43 9.473 -3.886 12.870 327 HZ2 TRP 43 HZ2 TRP 43 13.073 -7.306 13.326 328 HZ3 TRP 43 HZ3 TRP 43 11.249 -4.101 11.180 329 HH2 TRP 43 HH2 TRP 43 13.011 -5.776 11.405 330 H THR 44 H THR 44 7.939 -1.161 15.877 331 HA THR 44 HA THR 44 5.131 -1.430 16.864 332 HB THR 44 HB THR 44 5.327 0.911 17.757 333 HG1 THR 44 HG1 THR 44 7.491 1.079 16.492 334 HG21 THR 44 HG21 THR 44 5.686 0.012 19.774 335 HG22 THR 44 HG22 THR 44 7.349 -0.413 19.370 336 HG23 THR 44 HG23 THR 44 6.030 -1.498 18.933 337 H TYR 45 H TYR 45 3.774 -1.028 15.265 338 HA TYR 45 HA TYR 45 4.411 1.238 13.440 339 HB2 TYR 45 HB2 TYR 45 4.313 0.002 11.539 340 HB3 TYR 45 HB3 TYR 45 4.773 -1.320 12.606 341 HD1 TYR 45 HD1 TYR 45 2.040 0.187 10.687 342 HD2 TYR 45 HD2 TYR 45 3.166 -3.025 13.240 343 HE1 TYR 45 HE1 TYR 45 -0.010 -1.020 10.063 344 HE2 TYR 45 HE2 TYR 45 1.120 -4.242 12.622 345 HH TYR 45 HH TYR 45 -0.566 -3.866 10.143 346 H ASP 46 H ASP 46 2.658 2.370 12.646 347 HA ASP 46 HA ASP 46 0.088 1.715 14.019 348 HB2 ASP 46 HB2 ASP 46 0.907 3.886 14.640 349 HB3 ASP 46 HB3 ASP 46 1.205 4.324 12.960 350 H ASP 47 H ASP 47 -1.903 1.955 12.899 351 HA ASP 47 HA ASP 47 -1.823 0.867 10.244 352 HB2 ASP 47 HB2 ASP 47 -3.771 0.294 11.332 353 HB3 ASP 47 HB3 ASP 47 -3.943 1.871 12.096 354 H ALA 48 H ALA 48 -2.754 4.105 11.477 355 HA ALA 48 HA ALA 48 -3.408 5.325 9.061 356 HB1 ALA 48 HB1 ALA 48 -3.198 7.342 10.159 357 HB2 ALA 48 HB2 ALA 48 -3.348 6.225 11.516 358 HB3 ALA 48 HB3 ALA 48 -1.761 6.838 11.050 359 H THR 49 H THR 49 -0.163 4.926 10.506 360 HA THR 49 HA THR 49 1.010 5.980 7.977 361 HB THR 49 HB THR 49 1.766 6.920 10.189 362 HG1 THR 49 HG1 THR 49 3.780 7.143 9.397 363 HG21 THR 49 HG21 THR 49 1.849 4.336 11.032 364 HG22 THR 49 HG22 THR 49 2.702 5.667 11.814 365 HG23 THR 49 HG23 THR 49 3.548 4.631 10.666 366 H LYS 50 H LYS 50 3.338 4.866 7.657 367 HA LYS 50 HA LYS 50 3.012 1.919 7.892 368 HB2 LYS 50 HB2 LYS 50 3.706 3.316 5.292 369 HB3 LYS 50 HB3 LYS 50 3.565 1.581 5.546 370 HG2 LYS 50 HG2 LYS 50 1.453 1.740 4.903 371 HG3 LYS 50 HG3 LYS 50 1.128 2.630 6.393 372 HD2 LYS 50 HD2 LYS 50 2.244 4.100 4.051 373 HD3 LYS 50 HD3 LYS 50 0.536 3.655 4.042 374 HE2 LYS 50 HE2 LYS 50 0.419 4.721 6.354 375 HE3 LYS 50 HE3 LYS 50 2.003 5.406 5.996 376 HZ1 LYS 50 HZ1 LYS 50 1.079 6.962 4.738 377 HZ2 LYS 50 HZ2 LYS 50 -0.433 6.459 5.303 378 HZ3 LYS 50 HZ3 LYS 50 0.179 5.834 3.855 379 H THR 51 H THR 51 4.660 3.598 9.414 380 HA THR 51 HA THR 51 7.355 2.994 8.262 381 HB THR 51 HB THR 51 7.015 5.387 8.647 382 HG1 THR 51 HG1 THR 51 8.969 5.597 9.510 383 HG21 THR 51 HG21 THR 51 5.568 4.574 10.881 384 HG22 THR 51 HG22 THR 51 5.968 6.231 10.431 385 HG23 THR 51 HG23 THR 51 7.010 5.343 11.542 386 H PHE 52 H PHE 52 8.585 1.530 9.238 387 HA PHE 52 HA PHE 52 7.736 0.655 11.968 388 HB2 PHE 52 HB2 PHE 52 9.095 -0.872 9.730 389 HB3 PHE 52 HB3 PHE 52 8.897 -1.500 11.363 390 HD1 PHE 52 HD2 PHE 52 6.837 0.039 8.659 391 HD2 PHE 52 HD1 PHE 52 7.097 -2.858 11.766 392 HE1 PHE 52 HE2 PHE 52 4.603 -0.798 8.060 393 HE2 PHE 52 HE1 PHE 52 4.863 -3.701 11.171 394 HZ PHE 52 HZ PHE 52 3.613 -2.671 9.317 395 H THR 53 H THR 53 9.046 1.118 13.587 396 HA THR 53 HA THR 53 11.926 1.605 12.929 397 HB THR 53 HB THR 53 10.304 2.807 15.193 398 HG1 THR 53 HG1 THR 53 9.727 4.126 13.636 399 HG21 THR 53 HG21 THR 53 13.183 3.022 14.371 400 HG22 THR 53 HG22 THR 53 12.506 2.718 15.971 401 HG23 THR 53 HG23 THR 53 12.389 4.325 15.253 402 H VAL 54 H VAL 54 13.384 0.312 13.824 403 HA VAL 54 HA VAL 54 12.482 -1.363 16.136 404 HB VAL 54 HB VAL 54 12.926 -2.735 14.194 405 HG11 VAL 54 HG11 VAL 54 15.726 -1.624 14.143 406 HG12 VAL 54 HG12 VAL 54 14.992 -2.751 12.999 407 HG13 VAL 54 HG13 VAL 54 14.434 -1.079 13.074 408 HG21 VAL 54 HG21 VAL 54 15.279 -2.985 16.059 409 HG22 VAL 54 HG22 VAL 54 13.643 -3.505 16.465 410 HG23 VAL 54 HG23 VAL 54 14.504 -4.267 15.128 411 H THR 55 H THR 55 13.406 -0.948 18.014 412 HA THR 55 HA THR 55 16.074 0.406 17.971 413 HB THR 55 HB THR 55 14.293 0.397 20.389 414 HG1 THR 55 HG1 THR 55 13.952 1.894 18.015 415 HG21 THR 55 HG21 THR 55 15.704 1.971 21.149 416 HG22 THR 55 HG22 THR 55 15.736 2.817 19.601 417 HG23 THR 55 HG23 THR 55 16.782 1.422 19.865 418 H GLU 56 H GLU 56 17.779 -0.628 18.764 419 HA GLU 56 HA GLU 56 17.323 -3.251 20.046 420 HB2 GLU 56 HB2 GLU 56 19.059 -2.651 18.174 421 HB3 GLU 56 HB3 GLU 56 20.033 -2.065 19.515 422 HG2 GLU 56 HG2 GLU 56 19.271 -4.518 20.417 423 HG3 GLU 56 HG3 GLU 56 19.424 -4.798 18.684 Start of MODEL 7 1 H1 MET 1 H MET 1 -0.294 1.994 0.316 2 HA MET 1 HA MET 1 1.056 -0.347 -0.574 3 HB2 MET 1 HB2 MET 1 0.059 2.093 -1.730 4 HB3 MET 1 HB3 MET 1 1.688 1.779 -2.313 5 HG2 MET 1 HG2 MET 1 0.534 -0.676 -2.541 6 HG3 MET 1 HG3 MET 1 -0.820 0.397 -2.888 7 HE1 MET 1 HE1 MET 1 -1.448 0.584 -5.015 8 HE2 MET 1 HE2 MET 1 -0.734 2.188 -5.177 9 HE3 MET 1 HE3 MET 1 -0.488 0.981 -6.440 10 H GLN 2 H GLN 2 3.103 -0.929 -0.334 11 HA GLN 2 HA GLN 2 5.365 -0.789 0.033 12 HB2 GLN 2 HB2 GLN 2 4.886 1.273 -1.676 13 HB3 GLN 2 HB3 GLN 2 5.570 2.144 -0.310 14 HG2 GLN 2 HG2 GLN 2 7.551 0.732 -0.385 15 HG3 GLN 2 HG3 GLN 2 6.864 -0.170 -1.735 16 HE21 GLN 2 HE21 GLN 2 6.586 0.908 -3.744 17 HE22 GLN 2 HE22 GLN 2 7.558 2.277 -4.151 18 H TYR 3 H TYR 3 6.596 -0.680 1.828 19 HA TYR 3 HA TYR 3 5.709 1.254 3.930 20 HB2 TYR 3 HB2 TYR 3 6.729 -1.525 4.538 21 HB3 TYR 3 HB3 TYR 3 5.891 -0.408 5.611 22 HD1 TYR 3 HD1 TYR 3 5.473 -2.716 2.764 23 HD2 TYR 3 HD2 TYR 3 3.506 -0.296 5.658 24 HE1 TYR 3 HE1 TYR 3 3.333 -3.790 2.199 25 HE2 TYR 3 HE2 TYR 3 1.361 -1.364 5.102 26 HH TYR 3 HH TYR 3 0.649 -3.646 4.090 27 H LYS 4 H LYS 4 7.369 1.583 5.658 28 HA LYS 4 HA LYS 4 10.105 1.468 4.447 29 HB2 LYS 4 HB2 LYS 4 8.679 3.747 4.974 30 HB3 LYS 4 HB3 LYS 4 9.590 3.559 6.467 31 HG2 LYS 4 HG2 LYS 4 11.671 3.538 5.237 32 HG3 LYS 4 HG3 LYS 4 10.794 3.617 3.707 33 HD2 LYS 4 HD2 LYS 4 10.018 5.813 4.165 34 HD3 LYS 4 HD3 LYS 4 10.543 5.720 5.848 35 HE2 LYS 4 HE2 LYS 4 12.379 6.791 5.148 36 HE3 LYS 4 HE3 LYS 4 12.865 5.234 4.481 37 HZ1 LYS 4 HZ1 LYS 4 13.032 6.980 2.830 38 HZ2 LYS 4 HZ2 LYS 4 11.396 7.363 3.021 39 HZ3 LYS 4 HZ3 LYS 4 11.844 5.864 2.378 40 H LEU 5 H LEU 5 11.880 1.182 5.857 41 HA LEU 5 HA LEU 5 11.164 0.324 8.619 42 HB2 LEU 5 HB2 LEU 5 11.321 -1.774 7.730 43 HB3 LEU 5 HB3 LEU 5 12.436 -1.278 6.458 44 HG LEU 5 HG LEU 5 14.252 -1.196 8.139 45 HD11 LEU 5 HD11 LEU 5 13.458 -2.697 10.235 46 HD12 LEU 5 HD12 LEU 5 11.993 -1.764 9.935 47 HD13 LEU 5 HD13 LEU 5 13.516 -0.934 10.248 48 HD21 LEU 5 HD21 LEU 5 14.709 -3.433 7.975 49 HD22 LEU 5 HD22 LEU 5 13.442 -3.281 6.756 50 HD23 LEU 5 HD23 LEU 5 13.055 -3.914 8.357 51 H VAL 6 H VAL 6 12.356 1.358 10.057 52 HA VAL 6 HA VAL 6 14.996 2.426 9.149 53 HB VAL 6 HB VAL 6 13.259 3.336 11.461 54 HG11 VAL 6 HG11 VAL 6 15.909 4.277 10.402 55 HG12 VAL 6 HG12 VAL 6 14.861 5.313 11.373 56 HG13 VAL 6 HG13 VAL 6 15.486 3.808 12.048 57 HG21 VAL 6 HG21 VAL 6 13.144 3.917 8.664 58 HG22 VAL 6 HG22 VAL 6 12.126 4.529 9.967 59 HG23 VAL 6 HG23 VAL 6 13.617 5.371 9.544 60 H ILE 7 H ILE 7 16.839 2.143 10.370 61 HA ILE 7 HA ILE 7 16.597 0.012 12.452 62 HB ILE 7 HB ILE 7 19.016 0.787 10.801 63 HG12 ILE 7 HG12 ILE 7 17.185 -1.615 10.607 64 HG13 ILE 7 HG13 ILE 7 17.268 -0.290 9.452 65 HG21 ILE 7 HG21 ILE 7 20.244 -0.435 12.188 66 HG22 ILE 7 HG22 ILE 7 18.843 -0.571 13.249 67 HG23 ILE 7 HG23 ILE 7 19.144 -1.803 12.023 68 HD11 ILE 7 HD11 ILE 7 19.860 -1.121 9.542 69 HD12 ILE 7 HD12 ILE 7 18.976 -2.633 9.750 70 HD13 ILE 7 HD13 ILE 7 18.668 -1.618 8.341 71 H ASN 8 H ASN 8 16.498 0.929 14.404 72 HA ASN 8 HA ASN 8 18.419 3.150 14.964 73 HB2 ASN 8 HB2 ASN 8 15.748 3.249 15.279 74 HB3 ASN 8 HB3 ASN 8 16.182 2.569 16.845 75 HD21 ASN 8 HD21 ASN 8 18.309 3.751 17.690 76 HD22 ASN 8 HD22 ASN 8 18.158 5.471 17.736 77 H GLY 9 H GLY 9 19.792 0.973 15.006 78 HA2 GLY 9 HA2 GLY 9 19.584 -0.403 17.593 79 HA3 GLY 9 HA3 GLY 9 20.757 -0.718 16.324 80 H LYS 10 H LYS 10 22.314 -0.884 18.068 81 HA LYS 10 HA LYS 10 22.929 1.571 19.544 82 HB2 LYS 10 HB2 LYS 10 23.258 -0.579 20.626 83 HB3 LYS 10 HB3 LYS 10 24.349 -1.100 19.348 84 HG2 LYS 10 HG2 LYS 10 26.055 -0.296 20.498 85 HG3 LYS 10 HG3 LYS 10 25.367 1.325 20.376 86 HD2 LYS 10 HD2 LYS 10 23.955 0.763 22.379 87 HD3 LYS 10 HD3 LYS 10 24.906 -0.714 22.547 88 HE2 LYS 10 HE2 LYS 10 26.090 0.652 23.936 89 HE3 LYS 10 HE3 LYS 10 26.917 0.999 22.418 90 HZ1 LYS 10 HZ1 LYS 10 24.692 2.701 22.673 91 HZ2 LYS 10 HZ2 LYS 10 26.331 3.111 22.597 92 HZ3 LYS 10 HZ3 LYS 10 25.608 2.792 24.093 93 H THR 11 H THR 11 24.712 -0.489 17.200 94 HA THR 11 HA THR 11 26.124 2.001 16.324 95 HB THR 11 HB THR 11 27.581 -0.531 15.921 96 HG1 THR 11 HG1 THR 11 26.505 -0.500 18.165 97 HG21 THR 11 HG21 THR 11 28.109 2.309 16.524 98 HG22 THR 11 HG22 THR 11 28.968 1.197 15.458 99 HG23 THR 11 HG23 THR 11 29.261 1.156 17.197 100 H LEU 12 H LEU 12 23.700 0.867 15.237 101 HA LEU 12 HA LEU 12 24.675 0.494 12.473 102 HB2 LEU 12 HB2 LEU 12 24.456 -1.781 13.327 103 HB3 LEU 12 HB3 LEU 12 22.802 -1.449 13.836 104 HG LEU 12 HG LEU 12 22.050 -1.332 11.575 105 HD11 LEU 12 HD11 LEU 12 23.748 -1.808 9.725 106 HD12 LEU 12 HD12 LEU 12 24.974 -1.346 10.905 107 HD13 LEU 12 HD13 LEU 12 23.733 -0.189 10.424 108 HD21 LEU 12 HD21 LEU 12 22.707 -3.600 12.717 109 HD22 LEU 12 HD22 LEU 12 23.908 -3.658 11.427 110 HD23 LEU 12 HD23 LEU 12 22.192 -3.556 11.031 111 H LYS 13 H LYS 13 23.691 2.036 11.373 112 HA LYS 13 HA LYS 13 20.783 2.469 11.918 113 HB2 LYS 13 HB2 LYS 13 22.598 4.700 11.028 114 HB3 LYS 13 HB3 LYS 13 21.017 4.799 11.793 115 HG2 LYS 13 HG2 LYS 13 22.348 3.599 13.764 116 HG3 LYS 13 HG3 LYS 13 23.693 4.447 12.998 117 HD2 LYS 13 HD2 LYS 13 22.706 6.551 13.346 118 HD3 LYS 13 HD3 LYS 13 21.124 5.845 13.686 119 HE2 LYS 13 HE2 LYS 13 22.441 4.697 15.658 120 HE3 LYS 13 HE3 LYS 13 23.530 6.064 15.429 121 HZ1 LYS 13 HZ1 LYS 13 21.631 7.553 15.715 122 HZ2 LYS 13 HZ2 LYS 13 21.865 6.579 17.078 123 HZ3 LYS 13 HZ3 LYS 13 20.618 6.226 15.990 124 H GLY 14 H GLY 14 19.468 2.957 10.155 125 HA2 GLY 14 HA2 GLY 14 20.370 3.521 7.542 126 HA3 GLY 14 HA3 GLY 14 20.287 1.771 7.682 127 H GLU 15 H GLU 15 18.734 2.510 5.809 128 HA GLU 15 HA GLU 15 16.039 2.238 6.968 129 HB2 GLU 15 HB2 GLU 15 17.022 4.757 5.991 130 HB3 GLU 15 HB3 GLU 15 15.752 4.183 4.920 131 HG2 GLU 15 HG2 GLU 15 14.288 5.009 6.356 132 HG3 GLU 15 HG3 GLU 15 14.764 3.733 7.475 133 H THR 16 H THR 16 14.491 1.413 5.526 134 HA THR 16 HA THR 16 15.331 0.852 2.760 135 HB THR 16 HB THR 16 16.294 -1.019 4.156 136 HG1 THR 16 HG1 THR 16 15.610 -2.570 2.665 137 HG21 THR 16 HG21 THR 16 13.392 -1.770 4.528 138 HG22 THR 16 HG22 THR 16 14.444 -1.142 5.796 139 HG23 THR 16 HG23 THR 16 14.795 -2.701 5.052 140 H THR 17 H THR 17 13.533 -0.849 1.862 141 HA THR 17 HA THR 17 10.879 -0.155 2.960 142 HB THR 17 HB THR 17 10.087 0.512 0.640 143 HG1 THR 17 HG1 THR 17 12.360 -0.208 -0.170 144 HG21 THR 17 HG21 THR 17 10.837 2.843 0.878 145 HG22 THR 17 HG22 THR 17 12.067 2.322 2.030 146 HG23 THR 17 HG23 THR 17 10.357 2.150 2.427 147 H THR 18 H THR 18 9.105 -1.262 1.697 148 HA THR 18 HA THR 18 9.943 -3.579 0.110 149 HB THR 18 HB THR 18 10.169 -4.189 2.628 150 HG1 THR 18 HG1 THR 18 10.065 -5.671 0.789 151 HG21 THR 18 HG21 THR 18 7.793 -3.178 3.012 152 HG22 THR 18 HG22 THR 18 8.265 -4.649 3.862 153 HG23 THR 18 HG23 THR 18 7.237 -4.747 2.433 154 H LYS 19 H LYS 19 8.224 -4.629 -0.949 155 HA LYS 19 HA LYS 19 5.699 -3.033 -0.884 156 HB2 LYS 19 HB2 LYS 19 7.377 -3.827 -3.018 157 HB3 LYS 19 HB3 LYS 19 5.913 -4.789 -3.164 158 HG2 LYS 19 HG2 LYS 19 6.137 -1.791 -3.112 159 HG3 LYS 19 HG3 LYS 19 5.625 -2.815 -4.457 160 HD2 LYS 19 HD2 LYS 19 3.817 -3.590 -2.670 161 HD3 LYS 19 HD3 LYS 19 4.141 -1.980 -2.023 162 HE2 LYS 19 HE2 LYS 19 2.411 -1.567 -3.496 163 HE3 LYS 19 HE3 LYS 19 3.826 -1.217 -4.487 164 HZ1 LYS 19 HZ1 LYS 19 2.883 -2.615 -5.929 165 HZ2 LYS 19 HZ2 LYS 19 1.853 -3.295 -4.772 166 HZ3 LYS 19 HZ3 LYS 19 3.444 -3.850 -4.918 167 H ALA 20 H ALA 20 4.349 -4.013 0.506 168 HA ALA 20 HA ALA 20 3.807 -6.908 -0.022 169 HB1 ALA 20 HB1 ALA 20 3.476 -5.729 2.716 170 HB2 ALA 20 HB2 ALA 20 3.701 -7.412 2.237 171 HB3 ALA 20 HB3 ALA 20 5.058 -6.288 2.171 172 H VAL 21 H VAL 21 1.655 -7.621 0.322 173 HA VAL 21 HA VAL 21 -0.300 -5.490 -0.237 174 HB VAL 21 HB VAL 21 -1.893 -7.399 -0.515 175 HG11 VAL 21 HG11 VAL 21 0.036 -6.487 -2.212 176 HG12 VAL 21 HG12 VAL 21 0.327 -8.228 -2.235 177 HG13 VAL 21 HG13 VAL 21 -1.264 -7.593 -2.658 178 HG21 VAL 21 HG21 VAL 21 0.302 -9.365 -0.554 179 HG22 VAL 21 HG22 VAL 21 -0.213 -8.820 1.043 180 HG23 VAL 21 HG23 VAL 21 -1.380 -9.550 -0.059 181 H ASP 22 H ASP 22 1.049 -6.452 2.513 182 HA ASP 22 HA ASP 22 -1.067 -5.469 4.158 183 HB2 ASP 22 HB2 ASP 22 -2.158 -7.598 3.720 184 HB3 ASP 22 HB3 ASP 22 -0.702 -8.480 4.172 185 H ALA 23 H ALA 23 -0.411 -5.088 6.261 186 HA ALA 23 HA ALA 23 2.308 -4.731 6.741 187 HB1 ALA 23 HB1 ALA 23 0.208 -3.938 8.055 188 HB2 ALA 23 HB2 ALA 23 0.475 -5.391 9.020 189 HB3 ALA 23 HB3 ALA 23 1.734 -4.161 8.910 190 H GLU 24 H GLU 24 0.352 -7.625 7.198 191 HA GLU 24 HA GLU 24 2.263 -9.033 8.827 192 HB2 GLU 24 HB2 GLU 24 -0.001 -9.791 8.819 193 HB3 GLU 24 HB3 GLU 24 -0.020 -9.948 7.068 194 HG2 GLU 24 HG2 GLU 24 1.604 -11.779 7.229 195 HG3 GLU 24 HG3 GLU 24 1.570 -11.638 8.986 196 H THR 25 H THR 25 1.555 -9.035 5.321 197 HA THR 25 HA THR 25 3.499 -10.997 4.623 198 HB THR 25 HB THR 25 2.379 -8.698 2.994 199 HG1 THR 25 HG1 THR 25 1.589 -11.337 3.537 200 HG21 THR 25 HG21 THR 25 4.196 -10.968 2.268 201 HG22 THR 25 HG22 THR 25 4.292 -9.269 1.803 202 HG23 THR 25 HG23 THR 25 3.067 -10.313 1.082 203 H ALA 26 H ALA 26 3.707 -7.487 5.070 204 HA ALA 26 HA ALA 26 6.450 -7.373 4.064 205 HB1 ALA 26 HB1 ALA 26 4.395 -5.492 4.896 206 HB2 ALA 26 HB2 ALA 26 5.988 -5.052 5.513 207 HB3 ALA 26 HB3 ALA 26 5.745 -5.276 3.781 208 H GLU 27 H GLU 27 4.869 -8.005 7.087 209 HA GLU 27 HA GLU 27 6.852 -7.153 8.911 210 HB2 GLU 27 HB2 GLU 27 4.459 -8.285 9.205 211 HB3 GLU 27 HB3 GLU 27 5.431 -9.737 9.401 212 HG2 GLU 27 HG2 GLU 27 6.647 -8.699 11.231 213 HG3 GLU 27 HG3 GLU 27 5.717 -7.216 11.021 214 H LYS 28 H LYS 28 6.364 -10.493 7.673 215 HA LYS 28 HA LYS 28 8.688 -11.625 8.710 216 HB2 LYS 28 HB2 LYS 28 6.936 -12.177 6.377 217 HB3 LYS 28 HB3 LYS 28 8.524 -12.933 6.345 218 HG2 LYS 28 HG2 LYS 28 7.813 -14.513 7.717 219 HG3 LYS 28 HG3 LYS 28 7.419 -13.299 8.936 220 HD2 LYS 28 HD2 LYS 28 5.253 -12.937 7.653 221 HD3 LYS 28 HD3 LYS 28 5.650 -14.414 6.773 222 HE2 LYS 28 HE2 LYS 28 5.232 -15.749 8.559 223 HE3 LYS 28 HE3 LYS 28 5.800 -14.552 9.722 224 HZ1 LYS 28 HZ1 LYS 28 3.691 -14.086 10.142 225 HZ2 LYS 28 HZ2 LYS 28 3.154 -15.122 8.919 226 HZ3 LYS 28 HZ3 LYS 28 3.511 -13.508 8.562 227 H ALA 29 H ALA 29 8.292 -9.965 5.561 228 HA ALA 29 HA ALA 29 10.997 -10.305 4.721 229 HB1 ALA 29 HB1 ALA 29 8.896 -9.519 3.413 230 HB2 ALA 29 HB2 ALA 29 9.370 -7.907 3.950 231 HB3 ALA 29 HB3 ALA 29 10.478 -8.873 2.975 232 H PHE 30 H PHE 30 9.415 -7.916 6.786 233 HA PHE 30 HA PHE 30 11.705 -6.121 6.808 234 HB2 PHE 30 HB2 PHE 30 9.084 -6.302 8.237 235 HB3 PHE 30 HB3 PHE 30 10.353 -5.315 8.955 236 HD1 PHE 30 HD1 PHE 30 11.649 -4.176 6.590 237 HD2 PHE 30 HD2 PHE 30 7.523 -4.800 7.429 238 HE1 PHE 30 HE1 PHE 30 11.065 -2.325 5.078 239 HE2 PHE 30 HE2 PHE 30 6.932 -2.951 5.917 240 HZ PHE 30 HZ PHE 30 8.704 -1.711 4.739 241 H LYS 31 H LYS 31 10.606 -8.883 8.668 242 HA LYS 31 HA LYS 31 12.482 -8.388 10.861 243 HB2 LYS 31 HB2 LYS 31 10.789 -10.800 10.146 244 HB3 LYS 31 HB3 LYS 31 11.749 -10.655 11.613 245 HG2 LYS 31 HG2 LYS 31 10.139 -8.344 11.447 246 HG3 LYS 31 HG3 LYS 31 9.105 -9.732 11.099 247 HD2 LYS 31 HD2 LYS 31 10.972 -10.026 13.370 248 HD3 LYS 31 HD3 LYS 31 9.652 -8.875 13.588 249 HE2 LYS 31 HE2 LYS 31 8.064 -10.492 13.588 250 HE3 LYS 31 HE3 LYS 31 8.934 -11.496 12.430 251 HZ1 LYS 31 HZ1 LYS 31 8.804 -11.796 15.196 252 HZ2 LYS 31 HZ2 LYS 31 10.400 -11.379 14.824 253 HZ3 LYS 31 HZ3 LYS 31 9.685 -12.726 14.091 254 H GLN 32 H GLN 32 12.261 -10.542 8.029 255 HA GLN 32 HA GLN 32 14.477 -12.177 8.529 256 HB2 GLN 32 HB2 GLN 32 13.054 -12.624 6.658 257 HB3 GLN 32 HB3 GLN 32 13.400 -11.060 5.932 258 HG2 GLN 32 HG2 GLN 32 15.127 -11.889 4.833 259 HG3 GLN 32 HG3 GLN 32 15.837 -12.512 6.322 260 HE21 GLN 32 HE21 GLN 32 15.716 -13.651 3.612 261 HE22 GLN 32 HE22 GLN 32 14.982 -15.204 3.793 262 H TYR 33 H TYR 33 14.408 -9.009 6.856 263 HA TYR 33 HA TYR 33 17.197 -8.894 6.324 264 HB2 TYR 33 HB2 TYR 33 15.616 -7.388 5.250 265 HB3 TYR 33 HB3 TYR 33 15.199 -6.660 6.797 266 HD1 TYR 33 HD1 TYR 33 16.787 -5.168 7.937 267 HD2 TYR 33 HD2 TYR 33 17.628 -6.773 4.088 268 HE1 TYR 33 HE1 TYR 33 18.561 -3.492 7.632 269 HE2 TYR 33 HE2 TYR 33 19.405 -5.102 3.773 270 HH TYR 33 HH TYR 33 20.828 -3.473 6.077 271 H ALA 34 H ALA 34 15.416 -8.532 9.261 272 HA ALA 34 HA ALA 34 17.289 -6.853 10.664 273 HB1 ALA 34 HB1 ALA 34 15.898 -7.094 12.435 274 HB2 ALA 34 HB2 ALA 34 14.799 -7.704 11.196 275 HB3 ALA 34 HB3 ALA 34 15.709 -8.832 12.200 276 H ASN 35 H ASN 35 16.663 -10.386 10.936 277 HA ASN 35 HA ASN 35 18.871 -10.963 12.585 278 HB2 ASN 35 HB2 ASN 35 18.247 -13.129 12.307 279 HB3 ASN 35 HB3 ASN 35 16.851 -12.422 11.498 280 HD21 ASN 35 HD21 ASN 35 19.231 -14.671 11.241 281 HD22 ASN 35 HD22 ASN 35 19.247 -14.879 9.525 282 H ASP 36 H ASP 36 18.682 -10.475 9.102 283 HA ASP 36 HA ASP 36 21.050 -11.640 8.225 284 HB2 ASP 36 HB2 ASP 36 19.834 -8.980 7.423 285 HB3 ASP 36 HB3 ASP 36 21.123 -9.786 6.532 286 H ASN 37 H ASN 37 20.633 -8.459 9.793 287 HA ASN 37 HA ASN 37 23.609 -8.293 9.999 288 HB2 ASN 37 HB2 ASN 37 21.535 -6.098 10.308 289 HB3 ASN 37 HB3 ASN 37 23.283 -5.888 10.364 290 HD21 ASN 37 HD21 ASN 37 24.165 -7.370 8.300 291 HD22 ASN 37 HD22 ASN 37 23.547 -6.760 6.806 292 H GLY 38 H GLY 38 21.851 -9.943 11.700 293 HA2 GLY 38 HA2 GLY 38 21.530 -10.364 13.954 294 HA3 GLY 38 HA3 GLY 38 23.042 -9.499 14.185 295 H VAL 39 H VAL 39 20.066 -8.100 12.892 296 HA VAL 39 HA VAL 39 20.093 -6.211 15.187 297 HB VAL 39 HB VAL 39 18.584 -6.092 12.563 298 HG11 VAL 39 HG11 VAL 39 18.570 -3.568 13.541 299 HG12 VAL 39 HG12 VAL 39 17.250 -4.720 13.750 300 HG13 VAL 39 HG13 VAL 39 18.442 -4.501 15.031 301 HG21 VAL 39 HG21 VAL 39 20.353 -5.079 11.666 302 HG22 VAL 39 HG22 VAL 39 20.527 -4.006 13.055 303 HG23 VAL 39 HG23 VAL 39 21.272 -5.604 13.077 304 H ASP 40 H ASP 40 18.905 -6.776 16.877 305 HA ASP 40 HA ASP 40 16.151 -7.788 16.323 306 HB2 ASP 40 HB2 ASP 40 18.001 -9.496 17.189 307 HB3 ASP 40 HB3 ASP 40 17.603 -8.774 18.746 308 H GLY 41 H GLY 41 14.672 -6.484 17.148 309 HA2 GLY 41 HA2 GLY 41 15.128 -5.319 19.818 310 HA3 GLY 41 HA3 GLY 41 14.963 -4.174 18.495 311 H VAL 42 H VAL 42 13.090 -3.258 19.361 312 HA VAL 42 HA VAL 42 10.746 -5.076 19.581 313 HB VAL 42 HB VAL 42 9.594 -3.123 20.569 314 HG11 VAL 42 HG11 VAL 42 11.164 -4.788 21.824 315 HG12 VAL 42 HG12 VAL 42 12.182 -3.362 22.039 316 HG13 VAL 42 HG13 VAL 42 10.531 -3.370 22.659 317 HG21 VAL 42 HG21 VAL 42 11.707 -1.402 21.199 318 HG22 VAL 42 HG22 VAL 42 11.857 -1.723 19.471 319 HG23 VAL 42 HG23 VAL 42 10.349 -1.079 20.121 320 H TRP 43 H TRP 43 9.233 -5.202 18.067 321 HA TRP 43 HA TRP 43 9.443 -3.353 15.764 322 HB2 TRP 43 HB2 TRP 43 7.912 -5.930 16.209 323 HB3 TRP 43 HB3 TRP 43 7.769 -4.958 14.747 324 HD1 TRP 43 HD1 TRP 43 9.852 -7.632 16.300 325 HE1 TRP 43 HE1 TRP 43 11.855 -8.185 14.779 326 HE3 TRP 43 HE3 TRP 43 9.520 -3.694 13.056 327 HZ2 TRP 43 HZ2 TRP 43 13.125 -7.096 12.507 328 HZ3 TRP 43 HZ3 TRP 43 11.168 -3.523 11.237 329 HH2 TRP 43 HH2 TRP 43 12.933 -5.189 10.970 330 H THR 44 H THR 44 8.244 -1.593 15.646 331 HA THR 44 HA THR 44 5.483 -1.712 16.772 332 HB THR 44 HB THR 44 5.892 0.780 17.395 333 HG1 THR 44 HG1 THR 44 8.066 0.711 16.405 334 HG21 THR 44 HG21 THR 44 7.144 -1.450 19.004 335 HG22 THR 44 HG22 THR 44 5.448 -0.968 19.036 336 HG23 THR 44 HG23 THR 44 6.690 0.134 19.631 337 H TYR 45 H TYR 45 3.970 -1.023 15.412 338 HA TYR 45 HA TYR 45 4.645 1.037 13.409 339 HB2 TYR 45 HB2 TYR 45 4.483 -0.241 11.539 340 HB3 TYR 45 HB3 TYR 45 4.965 -1.540 12.624 341 HD1 TYR 45 HD2 TYR 45 3.223 -3.069 13.556 342 HD2 TYR 45 HD1 TYR 45 2.332 -0.211 10.532 343 HE1 TYR 45 HE2 TYR 45 1.153 -4.286 13.024 344 HE2 TYR 45 HE1 TYR 45 0.259 -1.419 9.993 345 HH TYR 45 HH TYR 45 -1.315 -3.197 11.639 346 H ASP 46 H ASP 46 2.905 2.215 12.708 347 HA ASP 46 HA ASP 46 0.339 1.555 14.089 348 HB2 ASP 46 HB2 ASP 46 1.058 3.673 14.830 349 HB3 ASP 46 HB3 ASP 46 1.596 4.157 13.224 350 H ASP 47 H ASP 47 -1.570 1.445 12.996 351 HA ASP 47 HA ASP 47 -1.521 0.633 10.295 352 HB2 ASP 47 HB2 ASP 47 -3.438 -0.039 11.393 353 HB3 ASP 47 HB3 ASP 47 -3.657 1.512 12.198 354 H ALA 48 H ALA 48 -2.474 3.794 11.690 355 HA ALA 48 HA ALA 48 -3.205 5.105 9.339 356 HB1 ALA 48 HB1 ALA 48 -3.377 6.841 10.719 357 HB2 ALA 48 HB2 ALA 48 -2.686 5.827 11.987 358 HB3 ALA 48 HB3 ALA 48 -1.638 6.861 11.017 359 H THR 49 H THR 49 0.059 4.578 10.664 360 HA THR 49 HA THR 49 1.187 5.851 8.214 361 HB THR 49 HB THR 49 2.002 6.600 10.475 362 HG1 THR 49 HG1 THR 49 3.370 6.966 8.764 363 HG21 THR 49 HG21 THR 49 3.631 4.106 10.636 364 HG22 THR 49 HG22 THR 49 1.985 4.090 11.269 365 HG23 THR 49 HG23 THR 49 3.166 5.232 11.911 366 H LYS 50 H LYS 50 3.518 4.744 7.785 367 HA LYS 50 HA LYS 50 3.155 1.794 7.757 368 HB2 LYS 50 HB2 LYS 50 3.823 3.417 5.285 369 HB3 LYS 50 HB3 LYS 50 3.695 1.665 5.381 370 HG2 LYS 50 HG2 LYS 50 1.573 1.864 4.788 371 HG3 LYS 50 HG3 LYS 50 1.264 2.624 6.351 372 HD2 LYS 50 HD2 LYS 50 2.335 4.281 4.111 373 HD3 LYS 50 HD3 LYS 50 0.625 3.845 4.118 374 HE2 LYS 50 HE2 LYS 50 0.575 4.727 6.504 375 HE3 LYS 50 HE3 LYS 50 2.161 5.420 6.169 376 HZ1 LYS 50 HZ1 LYS 50 -0.443 6.102 4.961 377 HZ2 LYS 50 HZ2 LYS 50 1.000 6.456 4.152 378 HZ3 LYS 50 HZ3 LYS 50 0.698 7.128 5.675 379 H THR 51 H THR 51 4.855 3.510 9.321 380 HA THR 51 HA THR 51 7.520 2.830 8.140 381 HB THR 51 HB THR 51 6.770 4.959 10.163 382 HG1 THR 51 HG1 THR 51 7.217 6.349 8.531 383 HG21 THR 51 HG21 THR 51 9.315 5.517 9.670 384 HG22 THR 51 HG22 THR 51 9.394 3.774 9.412 385 HG23 THR 51 HG23 THR 51 8.844 4.413 10.961 386 H PHE 52 H PHE 52 8.598 1.218 9.035 387 HA PHE 52 HA PHE 52 7.805 0.396 11.794 388 HB2 PHE 52 HB2 PHE 52 9.080 -1.146 9.519 389 HB3 PHE 52 HB3 PHE 52 8.917 -1.785 11.151 390 HD1 PHE 52 HD1 PHE 52 6.804 -0.165 8.536 391 HD2 PHE 52 HD2 PHE 52 7.106 -3.118 11.586 392 HE1 PHE 52 HE1 PHE 52 4.535 -0.949 7.997 393 HE2 PHE 52 HE2 PHE 52 4.838 -3.907 11.052 394 HZ PHE 52 HZ PHE 52 3.549 -2.823 9.255 395 H THR 53 H THR 53 9.278 0.188 13.412 396 HA THR 53 HA THR 53 12.108 0.857 12.723 397 HB THR 53 HB THR 53 10.640 1.910 15.158 398 HG1 THR 53 HG1 THR 53 9.849 3.082 13.474 399 HG21 THR 53 HG21 THR 53 12.912 1.797 15.706 400 HG22 THR 53 HG22 THR 53 12.705 3.451 15.130 401 HG23 THR 53 HG23 THR 53 13.421 2.233 14.075 402 H VAL 54 H VAL 54 13.709 -0.048 14.029 403 HA VAL 54 HA VAL 54 12.758 -2.007 16.067 404 HB VAL 54 HB VAL 54 13.101 -3.342 14.094 405 HG11 VAL 54 HG11 VAL 54 15.887 -3.045 13.596 406 HG12 VAL 54 HG12 VAL 54 14.533 -2.765 12.500 407 HG13 VAL 54 HG13 VAL 54 15.130 -1.454 13.518 408 HG21 VAL 54 HG21 VAL 54 15.645 -3.785 15.595 409 HG22 VAL 54 HG22 VAL 54 14.097 -3.987 16.416 410 HG23 VAL 54 HG23 VAL 54 14.476 -4.963 14.997 411 H THR 55 H THR 55 13.690 -1.530 17.926 412 HA THR 55 HA THR 55 16.473 -0.431 17.835 413 HB THR 55 HB THR 55 15.062 1.251 18.750 414 HG1 THR 55 HG1 THR 55 16.729 1.306 20.101 415 HG21 THR 55 HG21 THR 55 13.928 -0.830 20.623 416 HG22 THR 55 HG22 THR 55 13.105 -0.179 19.206 417 HG23 THR 55 HG23 THR 55 13.488 0.876 20.566 418 H GLU 56 H GLU 56 18.012 -1.706 18.590 419 HA GLU 56 HA GLU 56 17.326 -4.177 19.961 420 HB2 GLU 56 HB2 GLU 56 19.977 -2.867 19.306 421 HB3 GLU 56 HB3 GLU 56 19.831 -4.442 20.073 422 HG2 GLU 56 HG2 GLU 56 19.469 -5.449 18.134 423 HG3 GLU 56 HG3 GLU 56 18.221 -4.289 17.684 Start of MODEL 8 1 H1 MET 1 H MET 1 0.427 0.431 0.304 2 HA MET 1 HA MET 1 1.591 -1.486 -1.348 3 HB2 MET 1 HB2 MET 1 1.282 1.466 -1.429 4 HB3 MET 1 HB3 MET 1 2.478 0.764 -2.509 5 HG2 MET 1 HG2 MET 1 0.876 -0.477 -3.669 6 HG3 MET 1 HG3 MET 1 -0.328 -0.273 -2.398 7 HE1 MET 1 HE1 MET 1 -2.045 0.369 -4.551 8 HE2 MET 1 HE2 MET 1 -1.587 1.610 -5.718 9 HE3 MET 1 HE3 MET 1 -0.630 0.135 -5.577 10 H GLN 2 H GLN 2 3.315 1.472 -0.328 11 HA GLN 2 HA GLN 2 5.767 -0.223 -0.085 12 HB2 GLN 2 HB2 GLN 2 6.930 2.059 -0.423 13 HB3 GLN 2 HB3 GLN 2 6.193 1.287 -1.820 14 HG2 GLN 2 HG2 GLN 2 4.314 2.747 -1.731 15 HG3 GLN 2 HG3 GLN 2 4.833 3.408 -0.181 16 HE21 GLN 2 HE21 GLN 2 4.285 5.118 -2.182 17 HE22 GLN 2 HE22 GLN 2 5.736 5.825 -2.797 18 H TYR 3 H TYR 3 6.779 -0.346 1.809 19 HA TYR 3 HA TYR 3 5.908 1.583 3.926 20 HB2 TYR 3 HB2 TYR 3 6.973 -1.205 4.418 21 HB3 TYR 3 HB3 TYR 3 6.131 -0.147 5.546 22 HD1 TYR 3 HD2 TYR 3 3.845 0.732 3.871 23 HD2 TYR 3 HD1 TYR 3 5.619 -3.108 4.329 24 HE1 TYR 3 HE2 TYR 3 1.706 -0.322 3.269 25 HE2 TYR 3 HE1 TYR 3 3.485 -4.172 3.726 26 HH TYR 3 HH TYR 3 1.020 -3.529 3.807 27 H LYS 4 H LYS 4 7.493 2.031 5.625 28 HA LYS 4 HA LYS 4 10.283 1.888 4.551 29 HB2 LYS 4 HB2 LYS 4 9.635 4.158 4.352 30 HB3 LYS 4 HB3 LYS 4 8.825 4.154 5.913 31 HG2 LYS 4 HG2 LYS 4 10.995 3.942 7.031 32 HG3 LYS 4 HG3 LYS 4 11.798 3.977 5.459 33 HD2 LYS 4 HD2 LYS 4 9.991 6.182 6.428 34 HD3 LYS 4 HD3 LYS 4 11.731 6.168 6.722 35 HE2 LYS 4 HE2 LYS 4 12.111 6.974 4.688 36 HE3 LYS 4 HE3 LYS 4 11.243 5.623 3.961 37 HZ1 LYS 4 HZ1 LYS 4 10.478 8.210 3.843 38 HZ2 LYS 4 HZ2 LYS 4 9.520 7.621 5.106 39 HZ3 LYS 4 HZ3 LYS 4 9.459 6.884 3.585 40 H LEU 5 H LEU 5 11.934 1.432 5.959 41 HA LEU 5 HA LEU 5 11.112 0.866 8.776 42 HB2 LEU 5 HB2 LEU 5 11.242 -1.271 7.853 43 HB3 LEU 5 HB3 LEU 5 12.617 -0.856 6.832 44 HG LEU 5 HG LEU 5 14.058 -0.808 8.830 45 HD11 LEU 5 HD11 LEU 5 12.569 -2.227 10.707 46 HD12 LEU 5 HD12 LEU 5 11.509 -0.924 10.171 47 HD13 LEU 5 HD13 LEU 5 13.107 -0.551 10.819 48 HD21 LEU 5 HD21 LEU 5 13.753 -2.858 7.452 49 HD22 LEU 5 HD22 LEU 5 12.524 -3.393 8.599 50 HD23 LEU 5 HD23 LEU 5 14.194 -3.182 9.129 51 H VAL 6 H VAL 6 12.612 1.267 10.376 52 HA VAL 6 HA VAL 6 15.124 2.599 9.437 53 HB VAL 6 HB VAL 6 13.399 3.375 11.805 54 HG11 VAL 6 HG11 VAL 6 15.486 3.899 12.582 55 HG12 VAL 6 HG12 VAL 6 16.151 4.136 10.964 56 HG13 VAL 6 HG13 VAL 6 15.115 5.370 11.683 57 HG21 VAL 6 HG21 VAL 6 14.065 5.083 9.429 58 HG22 VAL 6 HG22 VAL 6 12.669 4.005 9.428 59 HG23 VAL 6 HG23 VAL 6 12.784 5.298 10.622 60 H ILE 7 H ILE 7 16.998 2.207 10.555 61 HA ILE 7 HA ILE 7 16.784 0.038 12.606 62 HB ILE 7 HB ILE 7 19.076 0.665 10.726 63 HG12 ILE 7 HG12 ILE 7 17.530 -1.901 10.778 64 HG13 ILE 7 HG13 ILE 7 16.871 -0.511 9.923 65 HG21 ILE 7 HG21 ILE 7 19.990 -1.499 11.632 66 HG22 ILE 7 HG22 ILE 7 20.005 -0.140 12.754 67 HG23 ILE 7 HG23 ILE 7 18.771 -1.391 12.902 68 HD11 ILE 7 HD11 ILE 7 19.227 -2.190 9.290 69 HD12 ILE 7 HD12 ILE 7 17.993 -1.513 8.226 70 HD13 ILE 7 HD13 ILE 7 19.281 -0.483 8.850 71 H ASN 8 H ASN 8 16.629 1.321 14.428 72 HA ASN 8 HA ASN 8 18.775 3.319 14.872 73 HB2 ASN 8 HB2 ASN 8 16.245 2.640 16.396 74 HB3 ASN 8 HB3 ASN 8 17.431 3.813 16.961 75 HD21 ASN 8 HD21 ASN 8 18.103 5.305 14.959 76 HD22 ASN 8 HD22 ASN 8 16.749 6.059 14.196 77 H GLY 9 H GLY 9 20.143 1.163 14.791 78 HA2 GLY 9 HA2 GLY 9 20.160 -0.181 17.421 79 HA3 GLY 9 HA3 GLY 9 21.137 -0.600 16.021 80 H LYS 10 H LYS 10 22.779 -0.798 17.791 81 HA LYS 10 HA LYS 10 23.779 1.777 18.812 82 HB2 LYS 10 HB2 LYS 10 23.788 -0.269 20.217 83 HB3 LYS 10 HB3 LYS 10 24.915 -1.021 19.096 84 HG2 LYS 10 HG2 LYS 10 26.569 -0.188 20.306 85 HG3 LYS 10 HG3 LYS 10 26.076 1.424 19.782 86 HD2 LYS 10 HD2 LYS 10 24.471 1.468 21.699 87 HD3 LYS 10 HD3 LYS 10 25.178 -0.050 22.256 88 HE2 LYS 10 HE2 LYS 10 26.569 1.262 23.426 89 HE3 LYS 10 HE3 LYS 10 27.395 1.491 21.886 90 HZ1 LYS 10 HZ1 LYS 10 26.477 3.489 23.392 91 HZ2 LYS 10 HZ2 LYS 10 25.150 3.260 22.369 92 HZ3 LYS 10 HZ3 LYS 10 26.674 3.596 21.715 93 H THR 11 H THR 11 24.775 -0.789 16.547 94 HA THR 11 HA THR 11 26.882 1.092 15.550 95 HB THR 11 HB THR 11 27.219 -1.731 14.814 96 HG1 THR 11 HG1 THR 11 27.800 -2.427 16.870 97 HG21 THR 11 HG21 THR 11 28.770 0.541 14.956 98 HG22 THR 11 HG22 THR 11 29.369 -1.102 14.723 99 HG23 THR 11 HG23 THR 11 29.320 -0.402 16.341 100 H LEU 12 H LEU 12 24.019 0.862 14.786 101 HA LEU 12 HA LEU 12 24.505 0.649 11.888 102 HB2 LEU 12 HB2 LEU 12 23.523 -1.558 13.166 103 HB3 LEU 12 HB3 LEU 12 22.038 -0.729 12.704 104 HG LEU 12 HG LEU 12 22.718 -0.783 10.365 105 HD11 LEU 12 HD11 LEU 12 25.017 -0.664 10.280 106 HD12 LEU 12 HD12 LEU 12 24.732 -2.362 9.899 107 HD13 LEU 12 HD13 LEU 12 25.235 -1.896 11.524 108 HD21 LEU 12 HD21 LEU 12 21.721 -2.760 10.234 109 HD22 LEU 12 HD22 LEU 12 22.008 -2.997 11.959 110 HD23 LEU 12 HD23 LEU 12 23.189 -3.571 10.780 111 H LYS 13 H LYS 13 23.516 2.249 10.858 112 HA LYS 13 HA LYS 13 20.966 3.294 11.950 113 HB2 LYS 13 HB2 LYS 13 23.515 4.872 11.646 114 HB3 LYS 13 HB3 LYS 13 21.948 5.660 11.521 115 HG2 LYS 13 HG2 LYS 13 22.144 5.936 13.727 116 HG3 LYS 13 HG3 LYS 13 21.658 4.242 13.824 117 HD2 LYS 13 HD2 LYS 13 23.830 3.509 14.182 118 HD3 LYS 13 HD3 LYS 13 24.543 4.962 13.479 119 HE2 LYS 13 HE2 LYS 13 22.890 5.513 15.814 120 HE3 LYS 13 HE3 LYS 13 24.240 4.437 16.166 121 HZ1 LYS 13 HZ1 LYS 13 25.779 6.030 15.522 122 HZ2 LYS 13 HZ2 LYS 13 24.617 6.941 16.346 123 HZ3 LYS 13 HZ3 LYS 13 24.647 6.940 14.655 124 H GLY 14 H GLY 14 19.735 2.765 10.228 125 HA2 GLY 14 HA2 GLY 14 20.120 4.340 7.810 126 HA3 GLY 14 HA3 GLY 14 20.432 2.629 7.561 127 H GLU 15 H GLU 15 18.579 3.244 5.988 128 HA GLU 15 HA GLU 15 16.105 2.291 7.312 129 HB2 GLU 15 HB2 GLU 15 15.930 4.595 5.380 130 HB3 GLU 15 HB3 GLU 15 14.728 4.021 6.528 131 HG2 GLU 15 HG2 GLU 15 16.086 4.849 8.376 132 HG3 GLU 15 HG3 GLU 15 17.300 5.416 7.231 133 H THR 16 H THR 16 14.540 1.399 5.850 134 HA THR 16 HA THR 16 15.499 0.963 3.075 135 HB THR 16 HB THR 16 16.353 -0.929 4.505 136 HG1 THR 16 HG1 THR 16 15.845 -1.145 2.226 137 HG21 THR 16 HG21 THR 16 14.762 -2.610 5.279 138 HG22 THR 16 HG22 THR 16 13.418 -1.607 4.734 139 HG23 THR 16 HG23 THR 16 14.449 -1.059 6.055 140 H THR 17 H THR 17 13.765 -0.623 1.980 141 HA THR 17 HA THR 17 11.047 0.136 2.913 142 HB THR 17 HB THR 17 10.601 0.521 0.324 143 HG1 THR 17 HG1 THR 17 12.457 0.541 -0.707 144 HG21 THR 17 HG21 THR 17 11.252 2.264 2.559 145 HG22 THR 17 HG22 THR 17 9.976 2.409 1.350 146 HG23 THR 17 HG23 THR 17 11.595 3.014 1.001 147 H THR 18 H THR 18 9.330 -0.977 1.556 148 HA THR 18 HA THR 18 10.206 -3.429 0.205 149 HB THR 18 HB THR 18 10.243 -3.982 2.682 150 HG1 THR 18 HG1 THR 18 10.043 -5.733 1.398 151 HG21 THR 18 HG21 THR 18 8.191 -4.244 3.871 152 HG22 THR 18 HG22 THR 18 7.240 -3.869 2.433 153 HG23 THR 18 HG23 THR 18 8.199 -2.609 3.210 154 H LYS 19 H LYS 19 8.028 -4.885 -0.021 155 HA LYS 19 HA LYS 19 5.712 -3.113 -0.512 156 HB2 LYS 19 HB2 LYS 19 7.372 -4.395 -2.639 157 HB3 LYS 19 HB3 LYS 19 5.627 -4.384 -2.859 158 HG2 LYS 19 HG2 LYS 19 5.613 -1.950 -2.629 159 HG3 LYS 19 HG3 LYS 19 7.366 -1.965 -2.419 160 HD2 LYS 19 HD2 LYS 19 5.874 -2.927 -4.861 161 HD3 LYS 19 HD3 LYS 19 6.732 -1.391 -4.717 162 HE2 LYS 19 HE2 LYS 19 8.594 -3.300 -3.943 163 HE3 LYS 19 HE3 LYS 19 7.751 -4.041 -5.303 164 HZ1 LYS 19 HZ1 LYS 19 8.847 -2.735 -6.692 165 HZ2 LYS 19 HZ2 LYS 19 9.745 -2.119 -5.398 166 HZ3 LYS 19 HZ3 LYS 19 8.325 -1.341 -5.888 167 H ALA 20 H ALA 20 4.278 -4.153 0.728 168 HA ALA 20 HA ALA 20 3.842 -7.042 0.100 169 HB1 ALA 20 HB1 ALA 20 3.404 -5.973 2.869 170 HB2 ALA 20 HB2 ALA 20 3.651 -7.637 2.336 171 HB3 ALA 20 HB3 ALA 20 5.004 -6.506 2.354 172 H VAL 21 H VAL 21 1.670 -7.822 0.555 173 HA VAL 21 HA VAL 21 -0.301 -5.747 -0.148 174 HB VAL 21 HB VAL 21 -0.210 -8.015 -1.261 175 HG11 VAL 21 HG11 VAL 21 -1.685 -9.083 1.109 176 HG12 VAL 21 HG12 VAL 21 -0.864 -9.954 -0.187 177 HG13 VAL 21 HG13 VAL 21 0.076 -9.142 1.065 178 HG21 VAL 21 HG21 VAL 21 -2.913 -7.774 -0.067 179 HG22 VAL 21 HG22 VAL 21 -2.268 -6.363 -0.906 180 HG23 VAL 21 HG23 VAL 21 -2.428 -7.899 -1.758 181 H ASP 22 H ASP 22 1.028 -6.508 2.660 182 HA ASP 22 HA ASP 22 -1.121 -5.480 4.226 183 HB2 ASP 22 HB2 ASP 22 -2.177 -7.648 3.885 184 HB3 ASP 22 HB3 ASP 22 -0.719 -8.481 4.416 185 H ALA 23 H ALA 23 -0.479 -4.943 6.290 186 HA ALA 23 HA ALA 23 2.230 -4.551 6.783 187 HB1 ALA 23 HB1 ALA 23 0.852 -3.326 8.158 188 HB2 ALA 23 HB2 ALA 23 -0.171 -4.707 8.558 189 HB3 ALA 23 HB3 ALA 23 1.431 -4.558 9.280 190 H GLU 24 H GLU 24 0.243 -7.385 7.526 191 HA GLU 24 HA GLU 24 2.188 -8.678 9.203 192 HB2 GLU 24 HB2 GLU 24 -0.074 -9.415 9.329 193 HB3 GLU 24 HB3 GLU 24 -0.161 -9.697 7.596 194 HG2 GLU 24 HG2 GLU 24 1.445 -11.536 7.826 195 HG3 GLU 24 HG3 GLU 24 1.484 -11.267 9.568 196 H THR 25 H THR 25 1.406 -8.923 5.724 197 HA THR 25 HA THR 25 3.307 -10.976 5.147 198 HB THR 25 HB THR 25 2.150 -8.815 3.363 199 HG1 THR 25 HG1 THR 25 0.543 -10.190 3.099 200 HG21 THR 25 HG21 THR 25 3.793 -11.253 2.688 201 HG22 THR 25 HG22 THR 25 4.163 -9.569 2.319 202 HG23 THR 25 HG23 THR 25 2.819 -10.374 1.510 203 H ALA 26 H ALA 26 3.560 -7.457 5.357 204 HA ALA 26 HA ALA 26 6.246 -7.405 4.214 205 HB1 ALA 26 HB1 ALA 26 5.549 -5.311 3.902 206 HB2 ALA 26 HB2 ALA 26 4.256 -5.479 5.090 207 HB3 ALA 26 HB3 ALA 26 5.880 -5.033 5.612 208 H GLU 27 H GLU 27 4.800 -7.633 7.414 209 HA GLU 27 HA GLU 27 6.926 -6.839 9.039 210 HB2 GLU 27 HB2 GLU 27 4.647 -7.600 9.781 211 HB3 GLU 27 HB3 GLU 27 5.172 -9.259 9.533 212 HG2 GLU 27 HG2 GLU 27 6.755 -9.127 11.271 213 HG3 GLU 27 HG3 GLU 27 6.620 -7.372 11.362 214 H LYS 28 H LYS 28 6.289 -10.180 7.880 215 HA LYS 28 HA LYS 28 8.602 -11.377 8.901 216 HB2 LYS 28 HB2 LYS 28 6.897 -12.731 7.917 217 HB3 LYS 28 HB3 LYS 28 7.049 -11.923 6.363 218 HG2 LYS 28 HG2 LYS 28 9.298 -12.873 6.106 219 HG3 LYS 28 HG3 LYS 28 9.101 -13.718 7.643 220 HD2 LYS 28 HD2 LYS 28 8.248 -15.408 6.463 221 HD3 LYS 28 HD3 LYS 28 6.826 -14.392 6.215 222 HE2 LYS 28 HE2 LYS 28 7.432 -13.830 4.081 223 HE3 LYS 28 HE3 LYS 28 9.155 -14.018 4.404 224 HZ1 LYS 28 HZ1 LYS 28 7.533 -16.432 4.538 225 HZ2 LYS 28 HZ2 LYS 28 9.097 -16.210 3.935 226 HZ3 LYS 28 HZ3 LYS 28 7.760 -15.765 2.999 227 H ALA 29 H ALA 29 8.158 -9.783 5.724 228 HA ALA 29 HA ALA 29 10.800 -10.239 4.779 229 HB1 ALA 29 HB1 ALA 29 9.890 -7.746 3.777 230 HB2 ALA 29 HB2 ALA 29 9.866 -9.322 2.985 231 HB3 ALA 29 HB3 ALA 29 8.483 -8.796 3.944 232 H PHE 30 H PHE 30 9.409 -7.621 6.747 233 HA PHE 30 HA PHE 30 11.811 -6.018 6.717 234 HB2 PHE 30 HB2 PHE 30 9.220 -6.013 8.188 235 HB3 PHE 30 HB3 PHE 30 10.563 -5.155 8.936 236 HD1 PHE 30 HD2 PHE 30 11.966 -4.000 6.682 237 HD2 PHE 30 HD1 PHE 30 7.783 -4.425 7.345 238 HE1 PHE 30 HE2 PHE 30 11.541 -2.065 5.222 239 HE2 PHE 30 HE1 PHE 30 7.352 -2.491 5.885 240 HZ PHE 30 HZ PHE 30 9.232 -1.308 4.823 241 H LYS 31 H LYS 31 10.598 -8.651 8.705 242 HA LYS 31 HA LYS 31 12.563 -8.248 10.818 243 HB2 LYS 31 HB2 LYS 31 10.794 -10.618 10.148 244 HB3 LYS 31 HB3 LYS 31 11.767 -10.470 11.606 245 HG2 LYS 31 HG2 LYS 31 10.144 -8.138 11.317 246 HG3 LYS 31 HG3 LYS 31 9.136 -9.580 11.173 247 HD2 LYS 31 HD2 LYS 31 11.060 -9.839 13.319 248 HD3 LYS 31 HD3 LYS 31 10.053 -8.404 13.525 249 HE2 LYS 31 HE2 LYS 31 8.053 -9.716 13.411 250 HE3 LYS 31 HE3 LYS 31 8.963 -11.156 12.959 251 HZ1 LYS 31 HZ1 LYS 31 8.226 -10.928 15.369 252 HZ2 LYS 31 HZ2 LYS 31 9.450 -9.772 15.523 253 HZ3 LYS 31 HZ3 LYS 31 9.838 -11.361 15.092 254 H GLN 32 H GLN 32 12.208 -10.407 8.003 255 HA GLN 32 HA GLN 32 14.376 -12.112 8.455 256 HB2 GLN 32 HB2 GLN 32 12.900 -12.506 6.612 257 HB3 GLN 32 HB3 GLN 32 13.290 -10.956 5.879 258 HG2 GLN 32 HG2 GLN 32 14.982 -11.837 4.760 259 HG3 GLN 32 HG3 GLN 32 15.672 -12.519 6.232 260 HE21 GLN 32 HE21 GLN 32 15.448 -13.594 3.491 261 HE22 GLN 32 HE22 GLN 32 14.648 -15.116 3.659 262 H TYR 33 H TYR 33 14.417 -9.030 6.611 263 HA TYR 33 HA TYR 33 17.153 -8.966 6.037 264 HB2 TYR 33 HB2 TYR 33 15.684 -7.334 5.076 265 HB3 TYR 33 HB3 TYR 33 15.226 -6.713 6.658 266 HD1 TYR 33 HD2 TYR 33 16.729 -5.251 7.904 267 HD2 TYR 33 HD1 TYR 33 17.787 -6.709 4.049 268 HE1 TYR 33 HE2 TYR 33 18.512 -3.563 7.761 269 HE2 TYR 33 HE1 TYR 33 19.575 -5.026 3.897 270 HH TYR 33 HH TYR 33 19.904 -2.577 5.100 271 H ALA 34 H ALA 34 15.492 -8.321 9.061 272 HA ALA 34 HA ALA 34 17.603 -6.926 10.384 273 HB1 ALA 34 HB1 ALA 34 15.038 -7.675 11.014 274 HB2 ALA 34 HB2 ALA 34 16.002 -8.678 12.099 275 HB3 ALA 34 HB3 ALA 34 16.188 -6.924 12.120 276 H ASN 35 H ASN 35 16.676 -10.397 10.506 277 HA ASN 35 HA ASN 35 18.785 -11.257 12.157 278 HB2 ASN 35 HB2 ASN 35 16.895 -12.493 10.278 279 HB3 ASN 35 HB3 ASN 35 18.410 -13.378 10.425 280 HD21 ASN 35 HD21 ASN 35 17.025 -15.035 11.343 281 HD22 ASN 35 HD22 ASN 35 16.631 -14.964 13.024 282 H ASP 36 H ASP 36 18.695 -10.733 8.647 283 HA ASP 36 HA ASP 36 21.077 -11.947 7.874 284 HB2 ASP 36 HB2 ASP 36 19.968 -9.277 6.952 285 HB3 ASP 36 HB3 ASP 36 21.202 -10.204 6.104 286 H ASN 37 H ASN 37 20.625 -8.783 9.442 287 HA ASN 37 HA ASN 37 23.597 -8.572 9.652 288 HB2 ASN 37 HB2 ASN 37 21.405 -6.487 9.761 289 HB3 ASN 37 HB3 ASN 37 23.065 -6.149 10.243 290 HD21 ASN 37 HD21 ASN 37 20.918 -6.791 7.611 291 HD22 ASN 37 HD22 ASN 37 22.024 -6.407 6.341 292 H GLY 38 H GLY 38 21.661 -10.187 11.326 293 HA2 GLY 38 HA2 GLY 38 21.299 -10.607 13.576 294 HA3 GLY 38 HA3 GLY 38 22.904 -9.928 13.804 295 H VAL 39 H VAL 39 20.032 -8.223 12.618 296 HA VAL 39 HA VAL 39 20.349 -6.342 14.895 297 HB VAL 39 HB VAL 39 18.602 -6.053 12.439 298 HG11 VAL 39 HG11 VAL 39 19.583 -3.667 13.814 299 HG12 VAL 39 HG12 VAL 39 17.962 -4.059 13.235 300 HG13 VAL 39 HG13 VAL 39 18.514 -4.668 14.796 301 HG21 VAL 39 HG21 VAL 39 21.395 -5.039 12.953 302 HG22 VAL 39 HG22 VAL 39 20.910 -6.226 11.742 303 HG23 VAL 39 HG23 VAL 39 20.376 -4.551 11.599 304 H ASP 40 H ASP 40 19.204 -6.767 16.652 305 HA ASP 40 HA ASP 40 16.381 -7.673 16.252 306 HB2 ASP 40 HB2 ASP 40 18.101 -9.380 17.213 307 HB3 ASP 40 HB3 ASP 40 17.985 -8.424 18.688 308 H GLY 41 H GLY 41 14.812 -6.825 17.611 309 HA2 GLY 41 HA2 GLY 41 15.394 -5.203 19.887 310 HA3 GLY 41 HA3 GLY 41 15.219 -4.163 18.481 311 H VAL 42 H VAL 42 13.390 -3.175 19.442 312 HA VAL 42 HA VAL 42 11.022 -4.930 19.790 313 HB VAL 42 HB VAL 42 11.386 -1.974 20.349 314 HG11 VAL 42 HG11 VAL 42 9.045 -3.814 20.590 315 HG12 VAL 42 HG12 VAL 42 9.231 -2.473 21.722 316 HG13 VAL 42 HG13 VAL 42 9.113 -2.157 19.990 317 HG21 VAL 42 HG21 VAL 42 11.162 -4.275 22.283 318 HG22 VAL 42 HG22 VAL 42 12.683 -3.522 21.804 319 HG23 VAL 42 HG23 VAL 42 11.468 -2.582 22.671 320 H TRP 43 H TRP 43 9.668 -5.271 18.175 321 HA TRP 43 HA TRP 43 9.756 -3.474 15.835 322 HB2 TRP 43 HB2 TRP 43 8.299 -6.083 16.355 323 HB3 TRP 43 HB3 TRP 43 8.215 -5.187 14.841 324 HD1 TRP 43 HD1 TRP 43 10.282 -7.718 16.650 325 HE1 TRP 43 HE1 TRP 43 12.363 -8.310 15.256 326 HE3 TRP 43 HE3 TRP 43 10.003 -3.998 13.154 327 HZ2 TRP 43 HZ2 TRP 43 13.709 -7.329 12.977 328 HZ3 TRP 43 HZ3 TRP 43 11.726 -3.895 11.401 329 HH2 TRP 43 HH2 TRP 43 13.541 -5.527 11.316 330 H THR 44 H THR 44 8.450 -1.804 15.602 331 HA THR 44 HA THR 44 5.707 -2.005 16.756 332 HB THR 44 HB THR 44 5.932 0.487 17.311 333 HG1 THR 44 HG1 THR 44 7.839 1.095 16.433 334 HG21 THR 44 HG21 THR 44 7.469 -1.590 18.870 335 HG22 THR 44 HG22 THR 44 5.775 -1.141 19.070 336 HG23 THR 44 HG23 THR 44 7.047 0.004 19.494 337 H TYR 45 H TYR 45 4.091 -1.044 15.591 338 HA TYR 45 HA TYR 45 4.699 0.777 13.401 339 HB2 TYR 45 HB2 TYR 45 4.434 -0.579 11.579 340 HB3 TYR 45 HB3 TYR 45 5.098 -1.777 12.684 341 HD1 TYR 45 HD2 TYR 45 3.377 -3.170 14.041 342 HD2 TYR 45 HD1 TYR 45 2.401 -0.982 10.525 343 HE1 TYR 45 HE2 TYR 45 1.378 -4.570 13.732 344 HE2 TYR 45 HE1 TYR 45 0.398 -2.375 10.207 345 HH TYR 45 HH TYR 45 -0.342 -4.719 10.895 346 H ASP 46 H ASP 46 2.907 1.861 12.647 347 HA ASP 46 HA ASP 46 0.382 1.206 14.110 348 HB2 ASP 46 HB2 ASP 46 1.035 3.340 14.829 349 HB3 ASP 46 HB3 ASP 46 1.614 3.811 13.234 350 H ASP 47 H ASP 47 -1.308 0.549 12.977 351 HA ASP 47 HA ASP 47 -1.283 -0.048 10.274 352 HB2 ASP 47 HB2 ASP 47 -3.079 -0.948 11.448 353 HB3 ASP 47 HB3 ASP 47 -3.503 0.590 12.195 354 H ALA 48 H ALA 48 -2.444 2.978 11.787 355 HA ALA 48 HA ALA 48 -3.413 4.262 9.496 356 HB1 ALA 48 HB1 ALA 48 -1.900 6.049 11.246 357 HB2 ALA 48 HB2 ALA 48 -3.622 6.020 10.864 358 HB3 ALA 48 HB3 ALA 48 -2.979 4.962 12.121 359 H THR 49 H THR 49 -0.063 4.067 10.708 360 HA THR 49 HA THR 49 0.824 5.381 8.173 361 HB THR 49 HB THR 49 1.543 6.429 10.338 362 HG1 THR 49 HG1 THR 49 2.862 6.883 8.641 363 HG21 THR 49 HG21 THR 49 2.014 3.869 11.173 364 HG22 THR 49 HG22 THR 49 2.655 5.318 11.948 365 HG23 THR 49 HG23 THR 49 3.640 4.430 10.786 366 H LYS 50 H LYS 50 3.378 4.600 7.939 367 HA LYS 50 HA LYS 50 3.395 1.631 8.037 368 HB2 LYS 50 HB2 LYS 50 3.872 3.255 5.520 369 HB3 LYS 50 HB3 LYS 50 4.146 1.525 5.676 370 HG2 LYS 50 HG2 LYS 50 2.057 1.191 5.036 371 HG3 LYS 50 HG3 LYS 50 1.515 1.960 6.529 372 HD2 LYS 50 HD2 LYS 50 2.314 3.714 4.266 373 HD3 LYS 50 HD3 LYS 50 0.777 2.854 4.144 374 HE2 LYS 50 HE2 LYS 50 0.295 3.772 6.485 375 HE3 LYS 50 HE3 LYS 50 1.648 4.866 6.198 376 HZ1 LYS 50 HZ1 LYS 50 0.127 6.177 5.263 377 HZ2 LYS 50 HZ2 LYS 50 -1.021 4.941 5.140 378 HZ3 LYS 50 HZ3 LYS 50 0.165 5.114 3.947 379 H THR 51 H THR 51 4.785 3.439 9.665 380 HA THR 51 HA THR 51 7.560 3.260 8.565 381 HB THR 51 HB THR 51 7.034 5.534 9.105 382 HG1 THR 51 HG1 THR 51 8.527 5.832 10.942 383 HG21 THR 51 HG21 THR 51 5.425 5.959 10.593 384 HG22 THR 51 HG22 THR 51 6.601 5.623 11.863 385 HG23 THR 51 HG23 THR 51 5.548 4.337 11.273 386 H PHE 52 H PHE 52 8.570 1.488 9.232 387 HA PHE 52 HA PHE 52 7.976 0.481 11.969 388 HB2 PHE 52 HB2 PHE 52 9.263 -0.789 9.542 389 HB3 PHE 52 HB3 PHE 52 9.282 -1.545 11.132 390 HD1 PHE 52 HD1 PHE 52 6.811 0.059 8.837 391 HD2 PHE 52 HD2 PHE 52 7.671 -3.117 11.537 392 HE1 PHE 52 HE1 PHE 52 4.594 -0.913 8.395 393 HE2 PHE 52 HE2 PHE 52 5.456 -4.094 11.099 394 HZ PHE 52 HZ PHE 52 3.914 -2.992 9.526 395 H THR 53 H THR 53 9.547 0.143 13.506 396 HA THR 53 HA THR 53 12.301 1.046 12.824 397 HB THR 53 HB THR 53 10.838 2.016 15.294 398 HG1 THR 53 HG1 THR 53 10.008 2.982 13.363 399 HG21 THR 53 HG21 THR 53 13.072 2.117 15.845 400 HG22 THR 53 HG22 THR 53 12.852 3.693 15.084 401 HG23 THR 53 HG23 THR 53 13.582 2.369 14.176 402 H VAL 54 H VAL 54 13.945 0.149 14.054 403 HA VAL 54 HA VAL 54 13.071 -1.895 16.054 404 HB VAL 54 HB VAL 54 13.600 -3.113 14.039 405 HG11 VAL 54 HG11 VAL 54 16.394 -2.564 13.745 406 HG12 VAL 54 HG12 VAL 54 15.099 -2.420 12.555 407 HG13 VAL 54 HG13 VAL 54 15.479 -1.063 13.617 408 HG21 VAL 54 HG21 VAL 54 14.852 -4.699 15.053 409 HG22 VAL 54 HG22 VAL 54 16.129 -3.566 15.492 410 HG23 VAL 54 HG23 VAL 54 14.654 -3.647 16.455 411 H THR 55 H THR 55 13.928 -1.505 17.968 412 HA THR 55 HA THR 55 16.532 -0.037 18.047 413 HB THR 55 HB THR 55 15.149 -0.188 20.599 414 HG1 THR 55 HG1 THR 55 13.753 0.910 18.372 415 HG21 THR 55 HG21 THR 55 15.785 2.209 18.882 416 HG22 THR 55 HG22 THR 55 16.973 1.389 19.896 417 HG23 THR 55 HG23 THR 55 15.570 2.165 20.631 418 H GLU 56 H GLU 56 18.254 -1.199 18.545 419 HA GLU 56 HA GLU 56 17.888 -3.826 19.832 420 HB2 GLU 56 HB2 GLU 56 19.479 -3.215 17.851 421 HB3 GLU 56 HB3 GLU 56 20.549 -2.619 19.113 422 HG2 GLU 56 HG2 GLU 56 19.898 -5.075 20.076 423 HG3 GLU 56 HG3 GLU 56 19.892 -5.362 18.337 Start of MODEL 9 1 H1 MET 1 H MET 1 0.108 -1.503 0.665 2 HA MET 1 HA MET 1 1.215 -1.518 -1.348 3 HB2 MET 1 HB2 MET 1 -0.281 0.311 -1.709 4 HB3 MET 1 HB3 MET 1 0.746 1.411 -0.799 5 HG2 MET 1 HG2 MET 1 2.474 1.201 -2.530 6 HG3 MET 1 HG3 MET 1 1.401 0.148 -3.450 7 HE1 MET 1 HE1 MET 1 -0.376 2.372 -5.655 8 HE2 MET 1 HE2 MET 1 0.343 0.814 -5.250 9 HE3 MET 1 HE3 MET 1 -1.176 1.306 -4.499 10 H GLN 2 H GLN 2 2.662 0.392 1.192 11 HA GLN 2 HA GLN 2 5.304 -0.493 0.449 12 HB2 GLN 2 HB2 GLN 2 4.416 1.843 -0.863 13 HB3 GLN 2 HB3 GLN 2 5.517 2.388 0.396 14 HG2 GLN 2 HG2 GLN 2 7.272 0.993 -0.454 15 HG3 GLN 2 HG3 GLN 2 6.177 0.261 -1.625 16 HE21 GLN 2 HE21 GLN 2 4.879 2.341 -2.697 17 HE22 GLN 2 HE22 GLN 2 5.977 3.411 -3.494 18 H TYR 3 H TYR 3 6.379 -0.727 2.281 19 HA TYR 3 HA TYR 3 5.747 1.178 4.500 20 HB2 TYR 3 HB2 TYR 3 6.432 -1.738 4.914 21 HB3 TYR 3 HB3 TYR 3 5.790 -0.595 6.088 22 HD1 TYR 3 HD1 TYR 3 4.956 -2.564 3.069 23 HD2 TYR 3 HD2 TYR 3 3.454 -0.246 6.306 24 HE1 TYR 3 HE1 TYR 3 2.674 -3.309 2.535 25 HE2 TYR 3 HE2 TYR 3 1.167 -0.986 5.782 26 HH TYR 3 HH TYR 3 0.009 -2.723 4.645 27 H LYS 4 H LYS 4 7.424 1.915 5.725 28 HA LYS 4 HA LYS 4 10.136 1.069 4.786 29 HB2 LYS 4 HB2 LYS 4 9.677 3.378 4.216 30 HB3 LYS 4 HB3 LYS 4 9.166 3.731 5.862 31 HG2 LYS 4 HG2 LYS 4 11.567 3.003 6.502 32 HG3 LYS 4 HG3 LYS 4 11.919 3.278 4.794 33 HD2 LYS 4 HD2 LYS 4 10.631 5.318 6.603 34 HD3 LYS 4 HD3 LYS 4 12.363 5.244 6.273 35 HE2 LYS 4 HE2 LYS 4 11.146 5.166 3.768 36 HE3 LYS 4 HE3 LYS 4 10.224 6.360 4.681 37 HZ1 LYS 4 HZ1 LYS 4 12.403 7.392 5.269 38 HZ2 LYS 4 HZ2 LYS 4 12.002 7.486 3.629 39 HZ3 LYS 4 HZ3 LYS 4 13.143 6.354 4.156 40 H LEU 5 H LEU 5 11.682 0.500 6.237 41 HA LEU 5 HA LEU 5 10.853 0.565 9.112 42 HB2 LEU 5 HB2 LEU 5 10.729 -1.683 8.665 43 HB3 LEU 5 HB3 LEU 5 11.988 -1.624 7.433 44 HG LEU 5 HG LEU 5 13.678 -1.409 9.230 45 HD11 LEU 5 HD11 LEU 5 11.244 -1.279 10.875 46 HD12 LEU 5 HD12 LEU 5 12.848 -0.603 11.158 47 HD13 LEU 5 HD13 LEU 5 12.534 -2.304 11.504 48 HD21 LEU 5 HD21 LEU 5 13.104 -3.591 8.252 49 HD22 LEU 5 HD22 LEU 5 11.880 -3.816 9.502 50 HD23 LEU 5 HD23 LEU 5 13.586 -3.724 9.944 51 H VAL 6 H VAL 6 12.165 1.646 10.407 52 HA VAL 6 HA VAL 6 14.890 2.290 9.377 53 HB VAL 6 HB VAL 6 13.283 3.600 11.588 54 HG11 VAL 6 HG11 VAL 6 15.681 3.726 12.010 55 HG12 VAL 6 HG12 VAL 6 15.942 4.370 10.388 56 HG13 VAL 6 HG13 VAL 6 15.036 5.309 11.575 57 HG21 VAL 6 HG21 VAL 6 13.390 3.984 8.710 58 HG22 VAL 6 HG22 VAL 6 12.243 4.615 9.893 59 HG23 VAL 6 HG23 VAL 6 13.766 5.457 9.604 60 H ILE 7 H ILE 7 16.734 1.945 10.575 61 HA ILE 7 HA ILE 7 16.359 0.060 12.861 62 HB ILE 7 HB ILE 7 18.769 0.488 11.076 63 HG12 ILE 7 HG12 ILE 7 17.359 -2.117 11.247 64 HG13 ILE 7 HG13 ILE 7 16.515 -0.824 10.402 65 HG21 ILE 7 HG21 ILE 7 18.560 -0.627 13.691 66 HG22 ILE 7 HG22 ILE 7 18.944 -1.914 12.550 67 HG23 ILE 7 HG23 ILE 7 19.981 -0.492 12.655 68 HD11 ILE 7 HD11 ILE 7 19.339 -1.232 9.667 69 HD12 ILE 7 HD12 ILE 7 18.209 -2.507 9.209 70 HD13 ILE 7 HD13 ILE 7 17.941 -0.853 8.661 71 H ASN 8 H ASN 8 16.501 0.994 14.781 72 HA ASN 8 HA ASN 8 18.421 3.263 15.083 73 HB2 ASN 8 HB2 ASN 8 15.829 2.551 16.417 74 HB3 ASN 8 HB3 ASN 8 17.017 3.498 17.308 75 HD21 ASN 8 HD21 ASN 8 18.025 5.260 15.736 76 HD22 ASN 8 HD22 ASN 8 16.836 6.246 14.961 77 H GLY 9 H GLY 9 19.709 0.929 15.000 78 HA2 GLY 9 HA2 GLY 9 19.883 -0.325 17.617 79 HA3 GLY 9 HA3 GLY 9 20.949 -0.599 16.247 80 H LYS 10 H LYS 10 22.498 -0.702 18.134 81 HA LYS 10 HA LYS 10 23.198 1.874 19.327 82 HB2 LYS 10 HB2 LYS 10 23.490 -0.226 20.567 83 HB3 LYS 10 HB3 LYS 10 24.635 -0.797 19.361 84 HG2 LYS 10 HG2 LYS 10 25.939 -0.044 21.154 85 HG3 LYS 10 HG3 LYS 10 26.039 1.233 19.939 86 HD2 LYS 10 HD2 LYS 10 24.208 2.424 21.153 87 HD3 LYS 10 HD3 LYS 10 24.326 1.203 22.422 88 HE2 LYS 10 HE2 LYS 10 26.449 3.154 21.547 89 HE3 LYS 10 HE3 LYS 10 25.607 3.110 23.095 90 HZ1 LYS 10 HZ1 LYS 10 27.630 1.215 22.061 91 HZ2 LYS 10 HZ2 LYS 10 26.620 0.823 23.360 92 HZ3 LYS 10 HZ3 LYS 10 27.683 2.134 23.481 93 H THR 11 H THR 11 24.658 -0.366 16.947 94 HA THR 11 HA THR 11 26.235 1.965 15.938 95 HB THR 11 HB THR 11 27.504 -0.669 15.569 96 HG1 THR 11 HG1 THR 11 26.540 -0.441 17.876 97 HG21 THR 11 HG21 THR 11 29.138 1.261 16.879 98 HG22 THR 11 HG22 THR 11 28.207 2.080 15.624 99 HG23 THR 11 HG23 THR 11 29.223 0.699 15.210 100 H LEU 12 H LEU 12 23.687 0.948 15.030 101 HA LEU 12 HA LEU 12 24.469 0.448 12.232 102 HB2 LEU 12 HB2 LEU 12 24.221 -1.794 13.304 103 HB3 LEU 12 HB3 LEU 12 22.542 -1.393 13.658 104 HG LEU 12 HG LEU 12 21.995 -1.358 11.321 105 HD11 LEU 12 HD11 LEU 12 23.980 -0.375 10.400 106 HD12 LEU 12 HD12 LEU 12 23.705 -1.930 9.617 107 HD13 LEU 12 HD13 LEU 12 24.944 -1.778 10.863 108 HD21 LEU 12 HD21 LEU 12 23.438 -3.792 11.011 109 HD22 LEU 12 HD22 LEU 12 21.737 -3.558 11.416 110 HD23 LEU 12 HD23 LEU 12 22.945 -3.641 12.698 111 H LYS 13 H LYS 13 23.386 1.859 11.058 112 HA LYS 13 HA LYS 13 20.529 2.348 11.742 113 HB2 LYS 13 HB2 LYS 13 22.342 4.621 10.944 114 HB3 LYS 13 HB3 LYS 13 20.742 4.694 11.669 115 HG2 LYS 13 HG2 LYS 13 21.794 3.625 13.722 116 HG3 LYS 13 HG3 LYS 13 23.351 3.996 12.976 117 HD2 LYS 13 HD2 LYS 13 23.209 6.144 13.562 118 HD3 LYS 13 HD3 LYS 13 21.569 6.279 12.923 119 HE2 LYS 13 HE2 LYS 13 21.732 6.754 15.353 120 HE3 LYS 13 HE3 LYS 13 20.644 5.421 14.967 121 HZ1 LYS 13 HZ1 LYS 13 22.320 5.157 16.884 122 HZ2 LYS 13 HZ2 LYS 13 23.455 4.882 15.661 123 HZ3 LYS 13 HZ3 LYS 13 22.108 3.870 15.807 124 H GLY 14 H GLY 14 19.192 2.887 10.010 125 HA2 GLY 14 HA2 GLY 14 19.942 3.634 7.441 126 HA3 GLY 14 HA3 GLY 14 20.119 1.885 7.456 127 H GLU 15 H GLU 15 18.404 2.806 5.665 128 HA GLU 15 HA GLU 15 15.745 2.307 6.944 129 HB2 GLU 15 HB2 GLU 15 16.616 4.333 4.945 130 HB3 GLU 15 HB3 GLU 15 15.043 3.591 4.685 131 HG2 GLU 15 HG2 GLU 15 14.417 5.361 5.955 132 HG3 GLU 15 HG3 GLU 15 14.726 4.186 7.233 133 H THR 16 H THR 16 14.336 0.914 5.945 134 HA THR 16 HA THR 16 15.318 -0.397 3.451 135 HB THR 16 HB THR 16 16.006 -1.956 5.094 136 HG1 THR 16 HG1 THR 16 14.582 -2.762 3.339 137 HG21 THR 16 HG21 THR 16 13.628 -1.019 6.524 138 HG22 THR 16 HG22 THR 16 15.150 -1.651 7.150 139 HG23 THR 16 HG23 THR 16 13.883 -2.760 6.625 140 H THR 17 H THR 17 13.776 0.506 2.152 141 HA THR 17 HA THR 17 10.941 0.271 2.977 142 HB THR 17 HB THR 17 10.412 1.764 1.250 143 HG1 THR 17 HG1 THR 17 12.234 2.239 -0.350 144 HG21 THR 17 HG21 THR 17 12.354 2.457 3.051 145 HG22 THR 17 HG22 THR 17 11.508 3.582 1.989 146 HG23 THR 17 HG23 THR 17 13.081 2.938 1.518 147 H THR 18 H THR 18 9.339 -0.714 1.659 148 HA THR 18 HA THR 18 10.146 -2.360 -0.606 149 HB THR 18 HB THR 18 10.875 -3.733 1.387 150 HG1 THR 18 HG1 THR 18 10.351 -5.484 0.264 151 HG21 THR 18 HG21 THR 18 9.218 -4.810 2.756 152 HG22 THR 18 HG22 THR 18 7.909 -4.064 1.840 153 HG23 THR 18 HG23 THR 18 8.961 -3.069 2.847 154 H LYS 19 H LYS 19 8.160 -4.079 -0.926 155 HA LYS 19 HA LYS 19 5.695 -2.406 -0.636 156 HB2 LYS 19 HB2 LYS 19 4.990 -3.052 -2.793 157 HB3 LYS 19 HB3 LYS 19 6.694 -2.659 -2.980 158 HG2 LYS 19 HG2 LYS 19 6.691 -5.365 -2.393 159 HG3 LYS 19 HG3 LYS 19 5.302 -5.148 -3.461 160 HD2 LYS 19 HD2 LYS 19 8.082 -4.132 -4.046 161 HD3 LYS 19 HD3 LYS 19 7.425 -5.651 -4.660 162 HE2 LYS 19 HE2 LYS 19 5.477 -4.090 -5.488 163 HE3 LYS 19 HE3 LYS 19 6.717 -2.843 -5.369 164 HZ1 LYS 19 HZ1 LYS 19 8.126 -4.460 -6.735 165 HZ2 LYS 19 HZ2 LYS 19 6.903 -3.608 -7.534 166 HZ3 LYS 19 HZ3 LYS 19 6.665 -5.228 -7.106 167 H ALA 20 H ALA 20 3.743 -3.435 -0.206 168 HA ALA 20 HA ALA 20 3.625 -6.337 0.026 169 HB1 ALA 20 HB1 ALA 20 4.616 -4.940 2.251 170 HB2 ALA 20 HB2 ALA 20 2.949 -5.359 2.649 171 HB3 ALA 20 HB3 ALA 20 4.088 -6.622 2.182 172 H VAL 21 H VAL 21 1.511 -7.121 0.575 173 HA VAL 21 HA VAL 21 -0.564 -5.152 -0.187 174 HB VAL 21 HB VAL 21 -2.044 -7.171 -0.309 175 HG11 VAL 21 HG11 VAL 21 0.217 -7.938 -2.015 176 HG12 VAL 21 HG12 VAL 21 -1.432 -7.483 -2.448 177 HG13 VAL 21 HG13 VAL 21 -0.233 -6.236 -2.104 178 HG21 VAL 21 HG21 VAL 21 0.073 -8.359 1.132 179 HG22 VAL 21 HG22 VAL 21 -1.430 -9.106 0.593 180 HG23 VAL 21 HG23 VAL 21 0.000 -9.159 -0.437 181 H ASP 22 H ASP 22 0.856 -5.940 2.614 182 HA ASP 22 HA ASP 22 -1.246 -4.900 4.229 183 HB2 ASP 22 HB2 ASP 22 -2.338 -7.055 3.856 184 HB3 ASP 22 HB3 ASP 22 -0.894 -7.909 4.393 185 H ALA 23 H ALA 23 -0.450 -4.197 6.132 186 HA ALA 23 HA ALA 23 2.297 -4.084 6.589 187 HB1 ALA 23 HB1 ALA 23 0.601 -4.134 9.015 188 HB2 ALA 23 HB2 ALA 23 1.764 -2.929 8.461 189 HB3 ALA 23 HB3 ALA 23 0.144 -2.977 7.765 190 H GLU 24 H GLU 24 -0.030 -6.543 7.639 191 HA GLU 24 HA GLU 24 1.815 -7.889 9.408 192 HB2 GLU 24 HB2 GLU 24 -0.513 -8.252 9.753 193 HB3 GLU 24 HB3 GLU 24 -0.768 -8.717 8.077 194 HG2 GLU 24 HG2 GLU 24 0.524 -10.751 8.434 195 HG3 GLU 24 HG3 GLU 24 0.802 -10.284 10.111 196 H THR 25 H THR 25 0.759 -8.425 6.038 197 HA THR 25 HA THR 25 2.227 -10.812 5.596 198 HB THR 25 HB THR 25 1.444 -8.619 3.655 199 HG1 THR 25 HG1 THR 25 -0.120 -10.107 4.893 200 HG21 THR 25 HG21 THR 25 3.201 -9.781 2.580 201 HG22 THR 25 HG22 THR 25 1.713 -10.488 1.952 202 HG23 THR 25 HG23 THR 25 2.642 -11.340 3.185 203 H ALA 26 H ALA 26 3.211 -7.440 5.637 204 HA ALA 26 HA ALA 26 5.840 -8.091 4.460 205 HB1 ALA 26 HB1 ALA 26 5.743 -5.449 5.540 206 HB2 ALA 26 HB2 ALA 26 5.790 -5.957 3.851 207 HB3 ALA 26 HB3 ALA 26 4.241 -5.762 4.671 208 H GLU 27 H GLU 27 4.330 -7.762 7.565 209 HA GLU 27 HA GLU 27 6.450 -6.955 9.198 210 HB2 GLU 27 HB2 GLU 27 4.204 -7.345 10.052 211 HB3 GLU 27 HB3 GLU 27 4.343 -9.068 9.734 212 HG2 GLU 27 HG2 GLU 27 6.048 -9.293 11.413 213 HG3 GLU 27 HG3 GLU 27 6.075 -7.549 11.668 214 H LYS 28 H LYS 28 5.632 -10.306 8.209 215 HA LYS 28 HA LYS 28 7.811 -11.563 9.498 216 HB2 LYS 28 HB2 LYS 28 7.185 -13.458 8.354 217 HB3 LYS 28 HB3 LYS 28 5.719 -12.502 8.179 218 HG2 LYS 28 HG2 LYS 28 5.954 -13.127 6.024 219 HG3 LYS 28 HG3 LYS 28 6.994 -11.702 5.979 220 HD2 LYS 28 HD2 LYS 28 8.743 -12.960 5.432 221 HD3 LYS 28 HD3 LYS 28 8.518 -13.947 6.878 222 HE2 LYS 28 HE2 LYS 28 6.629 -14.488 4.693 223 HE3 LYS 28 HE3 LYS 28 8.312 -14.866 4.330 224 HZ1 LYS 28 HZ1 LYS 28 8.360 -16.530 5.837 225 HZ2 LYS 28 HZ2 LYS 28 6.697 -16.567 5.532 226 HZ3 LYS 28 HZ3 LYS 28 7.287 -15.772 6.903 227 H ALA 29 H ALA 29 7.699 -9.592 6.646 228 HA ALA 29 HA ALA 29 10.216 -10.587 5.549 229 HB1 ALA 29 HB1 ALA 29 9.811 -9.209 3.782 230 HB2 ALA 29 HB2 ALA 29 8.168 -9.325 4.414 231 HB3 ALA 29 HB3 ALA 29 9.158 -7.915 4.787 232 H PHE 30 H PHE 30 9.138 -7.814 7.502 233 HA PHE 30 HA PHE 30 11.690 -6.484 7.483 234 HB2 PHE 30 HB2 PHE 30 9.219 -6.300 9.197 235 HB3 PHE 30 HB3 PHE 30 10.672 -5.400 9.621 236 HD1 PHE 30 HD1 PHE 30 11.709 -4.465 7.118 237 HD2 PHE 30 HD2 PHE 30 7.659 -4.830 8.374 238 HE1 PHE 30 HE1 PHE 30 11.065 -2.684 5.547 239 HE2 PHE 30 HE2 PHE 30 7.008 -3.051 6.805 240 HZ PHE 30 HZ PHE 30 8.711 -1.976 5.388 241 H LYS 31 H LYS 31 10.182 -8.912 9.573 242 HA LYS 31 HA LYS 31 12.142 -8.787 11.662 243 HB2 LYS 31 HB2 LYS 31 9.791 -9.944 11.556 244 HB3 LYS 31 HB3 LYS 31 10.695 -11.322 10.944 245 HG2 LYS 31 HG2 LYS 31 11.521 -11.825 12.956 246 HG3 LYS 31 HG3 LYS 31 11.848 -10.136 13.350 247 HD2 LYS 31 HD2 LYS 31 9.112 -11.403 13.426 248 HD3 LYS 31 HD3 LYS 31 10.161 -11.213 14.833 249 HE2 LYS 31 HE2 LYS 31 9.437 -9.133 15.112 250 HE3 LYS 31 HE3 LYS 31 9.982 -8.709 13.490 251 HZ1 LYS 31 HZ1 LYS 31 7.913 -9.060 12.604 252 HZ2 LYS 31 HZ2 LYS 31 7.494 -8.469 14.132 253 HZ3 LYS 31 HZ3 LYS 31 7.432 -10.131 13.822 254 H GLN 32 H GLN 32 12.325 -9.890 8.453 255 HA GLN 32 HA GLN 32 14.409 -11.898 9.026 256 HB2 GLN 32 HB2 GLN 32 12.727 -12.238 7.219 257 HB3 GLN 32 HB3 GLN 32 13.398 -10.855 6.365 258 HG2 GLN 32 HG2 GLN 32 15.635 -12.242 6.633 259 HG3 GLN 32 HG3 GLN 32 14.495 -13.584 6.723 260 HE21 GLN 32 HE21 GLN 32 15.834 -11.083 4.730 261 HE22 GLN 32 HE22 GLN 32 15.199 -11.653 3.228 262 H TYR 33 H TYR 33 14.087 -8.709 7.450 263 HA TYR 33 HA TYR 33 16.807 -8.472 6.656 264 HB2 TYR 33 HB2 TYR 33 15.011 -7.003 5.833 265 HB3 TYR 33 HB3 TYR 33 14.847 -6.290 7.434 266 HD1 TYR 33 HD2 TYR 33 17.517 -6.912 4.889 267 HD2 TYR 33 HD1 TYR 33 15.891 -4.269 7.800 268 HE1 TYR 33 HE2 TYR 33 19.222 -5.235 4.311 269 HE2 TYR 33 HE1 TYR 33 17.591 -2.585 7.229 270 HH TYR 33 HH TYR 33 19.125 -1.992 5.614 271 H ALA 34 H ALA 34 15.142 -7.104 9.530 272 HA ALA 34 HA ALA 34 17.471 -6.031 10.736 273 HB1 ALA 34 HB1 ALA 34 16.052 -6.404 12.896 274 HB2 ALA 34 HB2 ALA 34 15.495 -5.274 11.662 275 HB3 ALA 34 HB3 ALA 34 14.790 -6.887 11.762 276 H ASN 35 H ASN 35 15.809 -9.146 11.413 277 HA ASN 35 HA ASN 35 17.645 -10.106 13.316 278 HB2 ASN 35 HB2 ASN 35 15.442 -11.140 12.735 279 HB3 ASN 35 HB3 ASN 35 16.162 -11.767 11.255 280 HD21 ASN 35 HD21 ASN 35 15.268 -13.737 12.445 281 HD22 ASN 35 HD22 ASN 35 16.390 -14.581 13.451 282 H ASP 36 H ASP 36 17.919 -9.849 9.846 283 HA ASP 36 HA ASP 36 20.062 -11.766 9.550 284 HB2 ASP 36 HB2 ASP 36 18.593 -9.896 7.872 285 HB3 ASP 36 HB3 ASP 36 20.313 -9.882 7.494 286 H ASN 37 H ASN 37 19.867 -8.324 10.306 287 HA ASN 37 HA ASN 37 22.846 -8.193 10.302 288 HB2 ASN 37 HB2 ASN 37 20.727 -6.024 10.358 289 HB3 ASN 37 HB3 ASN 37 22.453 -5.713 10.515 290 HD21 ASN 37 HD21 ASN 37 19.881 -6.596 8.388 291 HD22 ASN 37 HD22 ASN 37 20.777 -6.483 6.915 292 H GLY 38 H GLY 38 21.468 -9.664 12.341 293 HA2 GLY 38 HA2 GLY 38 21.334 -9.794 14.651 294 HA3 GLY 38 HA3 GLY 38 22.791 -8.811 14.630 295 H VAL 39 H VAL 39 19.574 -7.843 13.501 296 HA VAL 39 HA VAL 39 19.651 -5.682 15.554 297 HB VAL 39 HB VAL 39 17.974 -5.889 13.039 298 HG11 VAL 39 HG11 VAL 39 18.166 -3.238 13.945 299 HG12 VAL 39 HG12 VAL 39 16.737 -4.273 13.929 300 HG13 VAL 39 HG13 VAL 39 17.770 -4.216 15.358 301 HG21 VAL 39 HG21 VAL 39 20.029 -5.468 12.146 302 HG22 VAL 39 HG22 VAL 39 19.557 -3.817 12.548 303 HG23 VAL 39 HG23 VAL 39 20.638 -4.711 13.618 304 H ASP 40 H ASP 40 18.410 -5.848 17.282 305 HA ASP 40 HA ASP 40 15.761 -7.167 16.992 306 HB2 ASP 40 HB2 ASP 40 17.803 -8.596 18.042 307 HB3 ASP 40 HB3 ASP 40 17.240 -7.777 19.497 308 H GLY 41 H GLY 41 14.243 -5.841 17.702 309 HA2 GLY 41 HA2 GLY 41 14.637 -4.404 20.227 310 HA3 GLY 41 HA3 GLY 41 14.546 -3.368 18.810 311 H VAL 42 H VAL 42 12.643 -2.348 19.268 312 HA VAL 42 HA VAL 42 10.267 -4.094 19.691 313 HB VAL 42 HB VAL 42 10.567 -1.094 19.996 314 HG11 VAL 42 HG11 VAL 42 8.244 -2.902 20.656 315 HG12 VAL 42 HG12 VAL 42 8.347 -1.180 21.027 316 HG13 VAL 42 HG13 VAL 42 8.302 -1.721 19.348 317 HG21 VAL 42 HG21 VAL 42 9.965 -2.059 22.456 318 HG22 VAL 42 HG22 VAL 42 10.954 -3.371 21.815 319 HG23 VAL 42 HG23 VAL 42 11.603 -1.733 21.890 320 H TRP 43 H TRP 43 8.810 -4.431 18.151 321 HA TRP 43 HA TRP 43 9.159 -2.956 15.602 322 HB2 TRP 43 HB2 TRP 43 7.539 -5.423 16.307 323 HB3 TRP 43 HB3 TRP 43 7.622 -4.707 14.700 324 HD1 TRP 43 HD1 TRP 43 9.387 -7.117 16.936 325 HE1 TRP 43 HE1 TRP 43 11.532 -7.967 15.795 326 HE3 TRP 43 HE3 TRP 43 9.609 -3.801 13.052 327 HZ2 TRP 43 HZ2 TRP 43 13.110 -7.318 13.547 328 HZ3 TRP 43 HZ3 TRP 43 11.469 -3.983 11.451 329 HH2 TRP 43 HH2 TRP 43 13.182 -5.705 11.695 330 H THR 44 H THR 44 8.276 -0.990 16.673 331 HA THR 44 HA THR 44 5.343 -1.077 17.091 332 HB THR 44 HB THR 44 5.698 1.381 17.680 333 HG1 THR 44 HG1 THR 44 8.096 1.572 18.347 334 HG21 THR 44 HG21 THR 44 7.371 0.247 19.675 335 HG22 THR 44 HG22 THR 44 6.234 -0.995 19.153 336 HG23 THR 44 HG23 THR 44 5.637 0.554 19.746 337 H TYR 45 H TYR 45 3.902 -0.465 15.626 338 HA TYR 45 HA TYR 45 4.722 1.452 13.521 339 HB2 TYR 45 HB2 TYR 45 4.578 0.033 11.770 340 HB3 TYR 45 HB3 TYR 45 4.813 -1.236 12.966 341 HD1 TYR 45 HD2 TYR 45 2.777 -2.385 13.926 342 HD2 TYR 45 HD1 TYR 45 2.571 0.189 10.545 343 HE1 TYR 45 HE2 TYR 45 0.603 -3.363 13.321 344 HE2 TYR 45 HE1 TYR 45 0.395 -0.781 9.931 345 HH TYR 45 HH TYR 45 -0.847 -3.614 11.451 346 H ASP 46 H ASP 46 2.955 2.434 12.406 347 HA ASP 46 HA ASP 46 0.401 2.194 13.947 348 HB2 ASP 46 HB2 ASP 46 1.233 4.367 14.337 349 HB3 ASP 46 HB3 ASP 46 1.771 4.561 12.671 350 H ASP 47 H ASP 47 -1.561 2.203 12.859 351 HA ASP 47 HA ASP 47 -1.540 0.925 10.300 352 HB2 ASP 47 HB2 ASP 47 -3.461 0.433 11.464 353 HB3 ASP 47 HB3 ASP 47 -3.618 2.060 12.120 354 H ALA 48 H ALA 48 -2.491 4.246 11.273 355 HA ALA 48 HA ALA 48 -3.192 5.248 8.771 356 HB1 ALA 48 HB1 ALA 48 -3.454 7.057 10.030 357 HB2 ALA 48 HB2 ALA 48 -2.513 6.317 11.325 358 HB3 ALA 48 HB3 ALA 48 -1.705 7.277 10.087 359 H THR 49 H THR 49 0.080 5.155 10.233 360 HA THR 49 HA THR 49 1.200 5.949 7.593 361 HB THR 49 HB THR 49 1.924 7.092 9.749 362 HG1 THR 49 HG1 THR 49 4.290 6.682 9.062 363 HG21 THR 49 HG21 THR 49 2.284 4.498 10.642 364 HG22 THR 49 HG22 THR 49 2.880 5.960 11.427 365 HG23 THR 49 HG23 THR 49 3.924 5.061 10.327 366 H LYS 50 H LYS 50 3.711 4.860 7.716 367 HA LYS 50 HA LYS 50 3.402 1.951 8.106 368 HB2 LYS 50 HB2 LYS 50 3.937 3.206 5.401 369 HB3 LYS 50 HB3 LYS 50 4.208 1.507 5.765 370 HG2 LYS 50 HG2 LYS 50 2.133 1.336 4.888 371 HG3 LYS 50 HG3 LYS 50 1.675 1.682 6.557 372 HD2 LYS 50 HD2 LYS 50 0.686 3.584 5.953 373 HD3 LYS 50 HD3 LYS 50 2.136 4.127 5.106 374 HE2 LYS 50 HE2 LYS 50 1.433 3.286 3.084 375 HE3 LYS 50 HE3 LYS 50 0.406 2.063 3.830 376 HZ1 LYS 50 HZ1 LYS 50 -0.492 4.672 4.491 377 HZ2 LYS 50 HZ2 LYS 50 -1.326 3.419 3.719 378 HZ3 LYS 50 HZ3 LYS 50 -0.388 4.495 2.811 379 H THR 51 H THR 51 4.953 3.645 9.581 380 HA THR 51 HA THR 51 7.700 3.102 8.516 381 HB THR 51 HB THR 51 6.757 5.305 10.373 382 HG1 THR 51 HG1 THR 51 7.521 5.138 7.682 383 HG21 THR 51 HG21 THR 51 9.142 6.055 10.283 384 HG22 THR 51 HG22 THR 51 9.546 4.504 9.547 385 HG23 THR 51 HG23 THR 51 8.888 4.559 11.182 386 H PHE 52 H PHE 52 8.448 1.306 9.433 387 HA PHE 52 HA PHE 52 7.720 0.728 12.247 388 HB2 PHE 52 HB2 PHE 52 9.117 -0.895 10.105 389 HB3 PHE 52 HB3 PHE 52 8.916 -1.451 11.763 390 HD1 PHE 52 HD1 PHE 52 6.842 -0.018 9.010 391 HD2 PHE 52 HD2 PHE 52 7.137 -2.826 12.195 392 HE1 PHE 52 HE1 PHE 52 4.614 -0.894 8.440 393 HE2 PHE 52 HE2 PHE 52 4.910 -3.707 11.629 394 HZ PHE 52 HZ PHE 52 3.646 -2.741 9.749 395 H THR 53 H THR 53 8.966 1.367 13.855 396 HA THR 53 HA THR 53 11.853 1.859 13.261 397 HB THR 53 HB THR 53 10.244 2.928 15.596 398 HG1 THR 53 HG1 THR 53 9.927 4.745 14.404 399 HG21 THR 53 HG21 THR 53 12.948 2.736 15.333 400 HG22 THR 53 HG22 THR 53 12.120 3.966 16.289 401 HG23 THR 53 HG23 THR 53 12.643 4.331 14.645 402 H VAL 54 H VAL 54 13.210 0.353 13.936 403 HA VAL 54 HA VAL 54 12.421 -1.252 16.332 404 HB VAL 54 HB VAL 54 12.720 -2.657 14.408 405 HG11 VAL 54 HG11 VAL 54 14.765 -0.785 13.738 406 HG12 VAL 54 HG12 VAL 54 15.459 -2.408 13.765 407 HG13 VAL 54 HG13 VAL 54 14.063 -2.061 12.744 408 HG21 VAL 54 HG21 VAL 54 15.338 -3.201 15.624 409 HG22 VAL 54 HG22 VAL 54 14.007 -3.032 16.769 410 HG23 VAL 54 HG23 VAL 54 13.915 -4.234 15.481 411 H THR 55 H THR 55 13.323 -0.509 18.130 412 HA THR 55 HA THR 55 16.115 0.541 17.949 413 HB THR 55 HB THR 55 14.009 0.995 20.084 414 HG1 THR 55 HG1 THR 55 13.652 2.157 18.131 415 HG21 THR 55 HG21 THR 55 16.784 2.160 19.812 416 HG22 THR 55 HG22 THR 55 16.281 0.972 21.014 417 HG23 THR 55 HG23 THR 55 15.592 2.595 21.036 418 H GLU 56 H GLU 56 17.735 -0.550 18.842 419 HA GLU 56 HA GLU 56 17.235 -3.107 20.084 420 HB2 GLU 56 HB2 GLU 56 19.733 -1.433 19.750 421 HB3 GLU 56 HB3 GLU 56 19.739 -3.020 20.508 422 HG2 GLU 56 HG2 GLU 56 18.763 -3.944 18.409 423 HG3 GLU 56 HG3 GLU 56 18.990 -2.359 17.672 Start of MODEL 10 1 H1 MET 1 H MET 1 0.934 1.262 0.570 2 HA MET 1 HA MET 1 1.604 -1.326 -0.596 3 HB2 MET 1 HB2 MET 1 1.935 1.482 -1.666 4 HB3 MET 1 HB3 MET 1 2.339 0.017 -2.550 5 HG2 MET 1 HG2 MET 1 0.252 -0.212 -3.233 6 HG3 MET 1 HG3 MET 1 -0.344 -0.156 -1.576 7 HE1 MET 1 HE1 MET 1 -2.402 2.303 -3.976 8 HE2 MET 1 HE2 MET 1 -1.927 0.606 -3.917 9 HE3 MET 1 HE3 MET 1 -2.757 1.337 -2.543 10 H GLN 2 H GLN 2 3.440 1.737 -0.483 11 HA GLN 2 HA GLN 2 5.910 0.174 -0.116 12 HB2 GLN 2 HB2 GLN 2 5.651 3.183 -0.232 13 HB3 GLN 2 HB3 GLN 2 7.067 2.203 -0.585 14 HG2 GLN 2 HG2 GLN 2 6.043 1.352 -2.586 15 HG3 GLN 2 HG3 GLN 2 4.534 2.182 -2.208 16 HE21 GLN 2 HE21 GLN 2 4.232 3.927 -3.370 17 HE22 GLN 2 HE22 GLN 2 5.457 5.002 -3.945 18 H TYR 3 H TYR 3 6.711 -0.326 1.795 19 HA TYR 3 HA TYR 3 5.888 1.359 4.121 20 HB2 TYR 3 HB2 TYR 3 6.926 -1.492 4.059 21 HB3 TYR 3 HB3 TYR 3 6.438 -0.609 5.501 22 HD1 TYR 3 HD1 TYR 3 5.153 -1.899 2.258 23 HD2 TYR 3 HD2 TYR 3 4.207 -0.639 6.211 24 HE1 TYR 3 HE1 TYR 3 2.844 -2.688 1.951 25 HE2 TYR 3 HE2 TYR 3 1.896 -1.426 5.915 26 HH TYR 3 HH TYR 3 0.753 -2.643 2.809 27 H LYS 4 H LYS 4 7.493 1.557 5.892 28 HA LYS 4 HA LYS 4 10.269 1.693 4.784 29 HB2 LYS 4 HB2 LYS 4 8.698 3.871 5.420 30 HB3 LYS 4 HB3 LYS 4 9.632 3.637 6.892 31 HG2 LYS 4 HG2 LYS 4 11.698 3.795 5.652 32 HG3 LYS 4 HG3 LYS 4 10.807 3.914 4.133 33 HD2 LYS 4 HD2 LYS 4 9.670 5.959 5.300 34 HD3 LYS 4 HD3 LYS 4 11.105 5.923 6.326 35 HE2 LYS 4 HE2 LYS 4 12.416 6.741 4.704 36 HE3 LYS 4 HE3 LYS 4 11.707 5.689 3.480 37 HZ1 LYS 4 HZ1 LYS 4 9.760 7.252 3.495 38 HZ2 LYS 4 HZ2 LYS 4 11.193 7.887 2.859 39 HZ3 LYS 4 HZ3 LYS 4 10.700 8.312 4.421 40 H LEU 5 H LEU 5 11.983 1.352 6.236 41 HA LEU 5 HA LEU 5 11.218 0.410 8.948 42 HB2 LEU 5 HB2 LEU 5 11.268 -1.662 7.933 43 HB3 LEU 5 HB3 LEU 5 12.515 -1.190 6.781 44 HG LEU 5 HG LEU 5 14.188 -1.290 8.588 45 HD11 LEU 5 HD11 LEU 5 11.771 -1.967 10.207 46 HD12 LEU 5 HD12 LEU 5 13.104 -0.875 10.581 47 HD13 LEU 5 HD13 LEU 5 13.347 -2.620 10.655 48 HD21 LEU 5 HD21 LEU 5 13.617 -3.246 7.113 49 HD22 LEU 5 HD22 LEU 5 12.622 -3.858 8.435 50 HD23 LEU 5 HD23 LEU 5 14.361 -3.657 8.658 51 H VAL 6 H VAL 6 12.300 1.780 10.203 52 HA VAL 6 HA VAL 6 15.028 2.615 9.388 53 HB VAL 6 HB VAL 6 13.301 3.555 11.694 54 HG11 VAL 6 HG11 VAL 6 16.061 4.204 10.812 55 HG12 VAL 6 HG12 VAL 6 15.050 5.523 11.403 56 HG13 VAL 6 HG13 VAL 6 15.379 4.131 12.436 57 HG21 VAL 6 HG21 VAL 6 12.309 4.971 10.295 58 HG22 VAL 6 HG22 VAL 6 13.858 5.502 9.640 59 HG23 VAL 6 HG23 VAL 6 13.055 4.084 8.965 60 H ILE 7 H ILE 7 16.865 2.296 10.617 61 HA ILE 7 HA ILE 7 16.559 0.217 12.748 62 HB ILE 7 HB ILE 7 18.880 0.719 10.869 63 HG12 ILE 7 HG12 ILE 7 17.377 -1.859 11.144 64 HG13 ILE 7 HG13 ILE 7 16.694 -0.559 10.173 65 HG21 ILE 7 HG21 ILE 7 18.609 -1.220 13.160 66 HG22 ILE 7 HG22 ILE 7 19.889 -1.274 11.949 67 HG23 ILE 7 HG23 ILE 7 19.752 0.116 13.026 68 HD11 ILE 7 HD11 ILE 7 19.482 -1.068 9.551 69 HD12 ILE 7 HD12 ILE 7 18.453 -2.480 9.311 70 HD13 ILE 7 HD13 ILE 7 18.079 -0.967 8.487 71 H ASN 8 H ASN 8 16.490 1.388 14.595 72 HA ASN 8 HA ASN 8 18.526 3.515 14.974 73 HB2 ASN 8 HB2 ASN 8 16.020 2.720 16.461 74 HB3 ASN 8 HB3 ASN 8 17.197 3.822 17.167 75 HD21 ASN 8 HD21 ASN 8 17.930 5.515 15.385 76 HD22 ASN 8 HD22 ASN 8 16.609 6.341 14.638 77 H GLY 9 H GLY 9 19.725 1.086 14.802 78 HA2 GLY 9 HA2 GLY 9 19.970 -0.194 17.388 79 HA3 GLY 9 HA3 GLY 9 21.004 -0.448 15.989 80 H LYS 10 H LYS 10 22.581 -0.611 17.857 81 HA LYS 10 HA LYS 10 23.355 1.977 19.012 82 HB2 LYS 10 HB2 LYS 10 23.614 -0.660 19.811 83 HB3 LYS 10 HB3 LYS 10 25.247 -0.245 19.304 84 HG2 LYS 10 HG2 LYS 10 23.762 1.608 21.106 85 HG3 LYS 10 HG3 LYS 10 24.485 0.139 21.766 86 HD2 LYS 10 HD2 LYS 10 26.663 0.798 20.999 87 HD3 LYS 10 HD3 LYS 10 25.989 2.177 20.129 88 HE2 LYS 10 HE2 LYS 10 25.491 1.955 23.055 89 HE3 LYS 10 HE3 LYS 10 27.092 2.452 22.511 90 HZ1 LYS 10 HZ1 LYS 10 25.253 3.919 21.043 91 HZ2 LYS 10 HZ2 LYS 10 26.289 4.484 22.254 92 HZ3 LYS 10 HZ3 LYS 10 24.724 3.977 22.649 93 H THR 11 H THR 11 24.524 -0.312 16.564 94 HA THR 11 HA THR 11 26.566 1.739 15.796 95 HB THR 11 HB THR 11 27.946 -0.057 14.903 96 HG1 THR 11 HG1 THR 11 27.171 -2.285 15.559 97 HG21 THR 11 HG21 THR 11 28.834 -0.706 16.903 98 HG22 THR 11 HG22 THR 11 27.268 -1.157 17.577 99 HG23 THR 11 HG23 THR 11 27.736 0.541 17.491 100 H LEU 12 H LEU 12 24.583 -0.960 14.499 101 HA LEU 12 HA LEU 12 24.808 0.038 11.781 102 HB2 LEU 12 HB2 LEU 12 24.513 -2.314 12.163 103 HB3 LEU 12 HB3 LEU 12 23.028 -2.035 13.069 104 HG LEU 12 HG LEU 12 21.850 -1.423 11.075 105 HD11 LEU 12 HD11 LEU 12 23.097 -0.275 9.597 106 HD12 LEU 12 HD12 LEU 12 23.374 -1.868 8.894 107 HD13 LEU 12 HD13 LEU 12 24.570 -1.165 9.983 108 HD21 LEU 12 HD21 LEU 12 22.789 -3.939 11.601 109 HD22 LEU 12 HD22 LEU 12 23.234 -3.716 9.909 110 HD23 LEU 12 HD23 LEU 12 21.552 -3.537 10.410 111 H LYS 13 H LYS 13 23.648 1.537 10.787 112 HA LYS 13 HA LYS 13 20.907 2.102 11.779 113 HB2 LYS 13 HB2 LYS 13 22.818 4.367 11.207 114 HB3 LYS 13 HB3 LYS 13 21.256 4.429 12.012 115 HG2 LYS 13 HG2 LYS 13 22.276 3.069 13.864 116 HG3 LYS 13 HG3 LYS 13 23.839 3.328 13.085 117 HD2 LYS 13 HD2 LYS 13 23.947 5.487 13.735 118 HD3 LYS 13 HD3 LYS 13 22.217 5.751 13.503 119 HE2 LYS 13 HE2 LYS 13 21.905 5.587 15.694 120 HE3 LYS 13 HE3 LYS 13 22.531 3.939 15.658 121 HZ1 LYS 13 HZ1 LYS 13 24.100 6.428 16.050 122 HZ2 LYS 13 HZ2 LYS 13 24.786 4.894 15.858 123 HZ3 LYS 13 HZ3 LYS 13 23.807 5.221 17.198 124 H GLY 14 H GLY 14 19.502 2.993 10.249 125 HA2 GLY 14 HA2 GLY 14 20.006 4.120 7.813 126 HA3 GLY 14 HA3 GLY 14 20.310 2.419 7.492 127 H GLU 15 H GLU 15 18.488 3.108 5.920 128 HA GLU 15 HA GLU 15 15.966 2.197 7.207 129 HB2 GLU 15 HB2 GLU 15 15.829 4.381 5.155 130 HB3 GLU 15 HB3 GLU 15 14.667 3.943 6.399 131 HG2 GLU 15 HG2 GLU 15 16.153 4.862 8.109 132 HG3 GLU 15 HG3 GLU 15 17.308 5.312 6.856 133 H THR 16 H THR 16 14.325 1.500 5.606 134 HA THR 16 HA THR 16 15.327 0.900 2.911 135 HB THR 16 HB THR 16 16.285 -0.954 4.233 136 HG1 THR 16 HG1 THR 16 15.861 -1.768 2.301 137 HG21 THR 16 HG21 THR 16 14.806 -1.177 6.071 138 HG22 THR 16 HG22 THR 16 14.635 -2.661 5.133 139 HG23 THR 16 HG23 THR 16 13.411 -1.397 5.016 140 H THR 17 H THR 17 13.650 -0.545 1.728 141 HA THR 17 HA THR 17 10.910 0.030 2.746 142 HB THR 17 HB THR 17 10.163 0.931 0.657 143 HG1 THR 17 HG1 THR 17 11.179 0.364 -1.101 144 HG21 THR 17 HG21 THR 17 11.461 2.424 2.268 145 HG22 THR 17 HG22 THR 17 11.268 3.015 0.618 146 HG23 THR 17 HG23 THR 17 12.799 2.304 1.127 147 H THR 18 H THR 18 9.223 -1.063 1.311 148 HA THR 18 HA THR 18 10.185 -3.431 -0.130 149 HB THR 18 HB THR 18 10.195 -4.077 2.330 150 HG1 THR 18 HG1 THR 18 9.074 -6.076 1.844 151 HG21 THR 18 HG21 THR 18 8.140 -4.440 3.469 152 HG22 THR 18 HG22 THR 18 7.197 -4.082 2.022 153 HG23 THR 18 HG23 THR 18 8.079 -2.794 2.842 154 H LYS 19 H LYS 19 7.998 -4.945 -0.350 155 HA LYS 19 HA LYS 19 5.694 -3.168 -0.896 156 HB2 LYS 19 HB2 LYS 19 7.335 -4.566 -2.976 157 HB3 LYS 19 HB3 LYS 19 5.595 -4.457 -3.210 158 HG2 LYS 19 HG2 LYS 19 5.706 -2.035 -3.069 159 HG3 LYS 19 HG3 LYS 19 7.444 -2.120 -2.774 160 HD2 LYS 19 HD2 LYS 19 6.998 -1.582 -5.104 161 HD3 LYS 19 HD3 LYS 19 7.756 -3.170 -4.971 162 HE2 LYS 19 HE2 LYS 19 4.825 -3.207 -4.892 163 HE3 LYS 19 HE3 LYS 19 5.506 -2.623 -6.409 164 HZ1 LYS 19 HZ1 LYS 19 6.930 -4.900 -5.609 165 HZ2 LYS 19 HZ2 LYS 19 5.951 -4.701 -6.973 166 HZ3 LYS 19 HZ3 LYS 19 5.279 -5.263 -5.526 167 H ALA 20 H ALA 20 4.242 -4.161 0.363 168 HA ALA 20 HA ALA 20 3.769 -7.056 -0.206 169 HB1 ALA 20 HB1 ALA 20 4.961 -6.599 2.005 170 HB2 ALA 20 HB2 ALA 20 3.445 -5.879 2.547 171 HB3 ALA 20 HB3 ALA 20 3.494 -7.576 2.070 172 H VAL 21 H VAL 21 1.580 -7.792 0.400 173 HA VAL 21 HA VAL 21 -0.369 -5.799 -0.501 174 HB VAL 21 HB VAL 21 -1.992 -7.703 -0.283 175 HG11 VAL 21 HG11 VAL 21 -0.591 -9.156 -2.021 176 HG12 VAL 21 HG12 VAL 21 -1.275 -7.583 -2.437 177 HG13 VAL 21 HG13 VAL 21 0.428 -7.717 -1.995 178 HG21 VAL 21 HG21 VAL 21 -1.486 -9.632 0.725 179 HG22 VAL 21 HG22 VAL 21 0.091 -9.728 -0.057 180 HG23 VAL 21 HG23 VAL 21 -0.108 -8.773 1.411 181 H ASP 22 H ASP 22 1.023 -6.324 2.405 182 HA ASP 22 HA ASP 22 -0.919 -4.827 3.846 183 HB2 ASP 22 HB2 ASP 22 -1.385 -6.854 5.499 184 HB3 ASP 22 HB3 ASP 22 -2.414 -6.559 4.100 185 H ALA 23 H ALA 23 -0.319 -4.440 6.057 186 HA ALA 23 HA ALA 23 2.433 -4.158 6.460 187 HB1 ALA 23 HB1 ALA 23 1.387 -2.879 7.983 188 HB2 ALA 23 HB2 ALA 23 0.022 -3.985 8.134 189 HB3 ALA 23 HB3 ALA 23 1.514 -4.300 9.019 190 H GLU 24 H GLU 24 0.378 -6.939 7.035 191 HA GLU 24 HA GLU 24 2.204 -8.326 8.782 192 HB2 GLU 24 HB2 GLU 24 -0.075 -9.011 8.792 193 HB3 GLU 24 HB3 GLU 24 -0.100 -9.228 7.048 194 HG2 GLU 24 HG2 GLU 24 1.068 -11.222 7.146 195 HG3 GLU 24 HG3 GLU 24 1.725 -10.875 8.744 196 H THR 25 H THR 25 1.371 -8.865 5.328 197 HA THR 25 HA THR 25 3.381 -10.777 4.819 198 HB THR 25 HB THR 25 2.132 -8.737 2.957 199 HG1 THR 25 HG1 THR 25 0.789 -10.451 2.425 200 HG21 THR 25 HG21 THR 25 4.229 -9.444 1.987 201 HG22 THR 25 HG22 THR 25 2.905 -10.239 1.135 202 HG23 THR 25 HG23 THR 25 3.854 -11.134 2.322 203 H ALA 26 H ALA 26 3.553 -7.274 5.029 204 HA ALA 26 HA ALA 26 6.212 -7.151 3.810 205 HB1 ALA 26 HB1 ALA 26 5.850 -4.771 5.142 206 HB2 ALA 26 HB2 ALA 26 5.386 -5.100 3.472 207 HB3 ALA 26 HB3 ALA 26 4.198 -5.261 4.766 208 H GLU 27 H GLU 27 4.826 -6.886 7.097 209 HA GLU 27 HA GLU 27 7.182 -6.284 8.494 210 HB2 GLU 27 HB2 GLU 27 5.057 -6.266 9.614 211 HB3 GLU 27 HB3 GLU 27 4.804 -7.976 9.294 212 HG2 GLU 27 HG2 GLU 27 5.978 -8.604 11.081 213 HG3 GLU 27 HG3 GLU 27 7.253 -7.426 10.774 214 H LYS 28 H LYS 28 5.811 -9.529 7.810 215 HA LYS 28 HA LYS 28 7.824 -11.065 9.002 216 HB2 LYS 28 HB2 LYS 28 5.612 -11.535 7.366 217 HB3 LYS 28 HB3 LYS 28 6.964 -12.196 6.455 218 HG2 LYS 28 HG2 LYS 28 6.773 -14.028 7.683 219 HG3 LYS 28 HG3 LYS 28 7.372 -13.090 9.053 220 HD2 LYS 28 HD2 LYS 28 5.122 -12.524 9.708 221 HD3 LYS 28 HD3 LYS 28 4.467 -13.302 8.265 222 HE2 LYS 28 HE2 LYS 28 5.738 -15.396 9.207 223 HE3 LYS 28 HE3 LYS 28 5.616 -14.522 10.733 224 HZ1 LYS 28 HZ1 LYS 28 3.679 -15.684 10.780 225 HZ2 LYS 28 HZ2 LYS 28 3.501 -15.711 9.098 226 HZ3 LYS 28 HZ3 LYS 28 3.129 -14.307 9.966 227 H ALA 29 H ALA 29 7.791 -9.468 5.839 228 HA ALA 29 HA ALA 29 10.276 -10.704 4.970 229 HB1 ALA 29 HB1 ALA 29 8.994 -10.044 3.179 230 HB2 ALA 29 HB2 ALA 29 8.487 -8.538 3.947 231 HB3 ALA 29 HB3 ALA 29 10.119 -8.690 3.295 232 H PHE 30 H PHE 30 9.357 -7.829 6.763 233 HA PHE 30 HA PHE 30 11.928 -6.514 6.450 234 HB2 PHE 30 HB2 PHE 30 9.444 -6.064 8.045 235 HB3 PHE 30 HB3 PHE 30 10.924 -5.293 8.606 236 HD1 PHE 30 HD2 PHE 30 12.283 -4.490 6.214 237 HD2 PHE 30 HD1 PHE 30 8.112 -4.474 7.062 238 HE1 PHE 30 HE2 PHE 30 11.961 -2.680 4.578 239 HE2 PHE 30 HE1 PHE 30 7.783 -2.665 5.427 240 HZ PHE 30 HZ PHE 30 9.709 -1.765 4.183 241 H LYS 31 H LYS 31 10.611 -8.966 8.523 242 HA LYS 31 HA LYS 31 12.506 -8.592 10.689 243 HB2 LYS 31 HB2 LYS 31 10.197 -9.841 10.629 244 HB3 LYS 31 HB3 LYS 31 11.159 -11.213 10.097 245 HG2 LYS 31 HG2 LYS 31 12.163 -11.474 12.117 246 HG3 LYS 31 HG3 LYS 31 12.081 -9.754 12.506 247 HD2 LYS 31 HD2 LYS 31 9.682 -11.579 12.437 248 HD3 LYS 31 HD3 LYS 31 10.600 -11.217 13.900 249 HE2 LYS 31 HE2 LYS 31 9.266 -9.456 14.172 250 HE3 LYS 31 HE3 LYS 31 10.077 -8.731 12.785 251 HZ1 LYS 31 HZ1 LYS 31 7.474 -9.080 12.868 252 HZ2 LYS 31 HZ2 LYS 31 7.896 -10.590 12.234 253 HZ3 LYS 31 HZ3 LYS 31 8.344 -9.176 11.420 254 H GLN 32 H GLN 32 12.873 -9.635 7.537 255 HA GLN 32 HA GLN 32 14.906 -11.683 8.151 256 HB2 GLN 32 HB2 GLN 32 13.394 -12.000 6.238 257 HB3 GLN 32 HB3 GLN 32 13.989 -10.515 5.507 258 HG2 GLN 32 HG2 GLN 32 15.296 -11.948 4.372 259 HG3 GLN 32 HG3 GLN 32 16.309 -11.802 5.807 260 HE21 GLN 32 HE21 GLN 32 13.503 -13.675 4.699 261 HE22 GLN 32 HE22 GLN 32 14.062 -15.192 5.307 262 H TYR 33 H TYR 33 14.722 -8.465 6.591 263 HA TYR 33 HA TYR 33 17.433 -8.163 5.957 264 HB2 TYR 33 HB2 TYR 33 15.473 -6.603 5.442 265 HB3 TYR 33 HB3 TYR 33 15.722 -5.917 7.044 266 HD1 TYR 33 HD2 TYR 33 17.642 -6.705 3.936 267 HD2 TYR 33 HD1 TYR 33 17.123 -4.090 7.252 268 HE1 TYR 33 HE2 TYR 33 19.368 -5.212 3.021 269 HE2 TYR 33 HE1 TYR 33 18.847 -2.589 6.346 270 HH TYR 33 HH TYR 33 19.825 -2.081 4.054 271 H ALA 34 H ALA 34 15.843 -6.808 8.883 272 HA ALA 34 HA ALA 34 18.142 -5.989 10.221 273 HB1 ALA 34 HB1 ALA 34 16.590 -5.402 11.694 274 HB2 ALA 34 HB2 ALA 34 15.404 -6.412 10.867 275 HB3 ALA 34 HB3 ALA 34 16.384 -7.089 12.167 276 H ASN 35 H ASN 35 16.508 -9.172 10.557 277 HA ASN 35 HA ASN 35 18.325 -10.327 12.355 278 HB2 ASN 35 HB2 ASN 35 16.337 -11.299 10.407 279 HB3 ASN 35 HB3 ASN 35 17.618 -12.454 10.762 280 HD21 ASN 35 HD21 ASN 35 15.954 -13.751 11.709 281 HD22 ASN 35 HD22 ASN 35 15.417 -13.429 13.319 282 H ASP 36 H ASP 36 18.419 -10.303 8.778 283 HA ASP 36 HA ASP 36 20.730 -11.893 8.464 284 HB2 ASP 36 HB2 ASP 36 19.028 -10.553 6.782 285 HB3 ASP 36 HB3 ASP 36 20.511 -9.620 6.596 286 H ASN 37 H ASN 37 20.365 -8.600 9.549 287 HA ASN 37 HA ASN 37 23.319 -8.219 9.366 288 HB2 ASN 37 HB2 ASN 37 21.073 -6.224 9.796 289 HB3 ASN 37 HB3 ASN 37 22.786 -5.816 9.817 290 HD21 ASN 37 HD21 ASN 37 20.043 -6.479 7.890 291 HD22 ASN 37 HD22 ASN 37 20.789 -6.251 6.348 292 H GLY 38 H GLY 38 21.624 -9.797 11.384 293 HA2 GLY 38 HA2 GLY 38 21.687 -10.160 13.667 294 HA3 GLY 38 HA3 GLY 38 23.221 -9.301 13.653 295 H VAL 39 H VAL 39 20.035 -8.003 12.789 296 HA VAL 39 HA VAL 39 20.383 -6.048 15.020 297 HB VAL 39 HB VAL 39 18.459 -5.761 12.713 298 HG11 VAL 39 HG11 VAL 39 19.388 -3.283 13.466 299 HG12 VAL 39 HG12 VAL 39 17.862 -4.012 13.970 300 HG13 VAL 39 HG13 VAL 39 19.290 -4.155 14.996 301 HG21 VAL 39 HG21 VAL 39 20.166 -4.398 11.584 302 HG22 VAL 39 HG22 VAL 39 21.338 -4.861 12.818 303 HG23 VAL 39 HG23 VAL 39 20.662 -6.083 11.742 304 H ASP 40 H ASP 40 19.210 -6.347 16.776 305 HA ASP 40 HA ASP 40 16.485 -7.530 16.431 306 HB2 ASP 40 HB2 ASP 40 18.339 -9.045 17.467 307 HB3 ASP 40 HB3 ASP 40 18.142 -8.034 18.895 308 H GLY 41 H GLY 41 14.851 -6.741 17.741 309 HA2 GLY 41 HA2 GLY 41 15.303 -4.969 19.938 310 HA3 GLY 41 HA3 GLY 41 15.034 -4.021 18.483 311 H VAL 42 H VAL 42 13.129 -3.142 19.390 312 HA VAL 42 HA VAL 42 10.915 -5.088 19.798 313 HB VAL 42 HB VAL 42 11.071 -2.120 20.384 314 HG11 VAL 42 HG11 VAL 42 8.820 -2.399 20.030 315 HG12 VAL 42 HG12 VAL 42 8.839 -4.091 20.531 316 HG13 VAL 42 HG13 VAL 42 8.937 -2.811 21.741 317 HG21 VAL 42 HG21 VAL 42 12.253 -2.908 22.132 318 HG22 VAL 42 HG22 VAL 42 10.666 -3.350 22.760 319 HG23 VAL 42 HG23 VAL 42 11.653 -4.554 21.932 320 H TRP 43 H TRP 43 9.564 -5.516 18.202 321 HA TRP 43 HA TRP 43 9.520 -3.738 15.851 322 HB2 TRP 43 HB2 TRP 43 8.371 -6.464 16.462 323 HB3 TRP 43 HB3 TRP 43 7.913 -5.576 15.012 324 HD1 TRP 43 HD1 TRP 43 10.201 -8.167 15.978 325 HE1 TRP 43 HE1 TRP 43 12.225 -8.317 14.395 326 HE3 TRP 43 HE3 TRP 43 9.737 -3.646 13.637 327 HZ2 TRP 43 HZ2 TRP 43 13.461 -6.729 12.415 328 HZ3 TRP 43 HZ3 TRP 43 11.381 -3.037 11.911 329 HH2 TRP 43 HH2 TRP 43 13.204 -4.548 11.315 330 H THR 44 H THR 44 8.040 -2.243 15.449 331 HA THR 44 HA THR 44 5.328 -2.553 16.588 332 HB THR 44 HB THR 44 5.351 -0.188 17.427 333 HG1 THR 44 HG1 THR 44 7.089 0.963 17.108 334 HG21 THR 44 HG21 THR 44 6.612 -0.710 19.515 335 HG22 THR 44 HG22 THR 44 7.225 -2.164 18.728 336 HG23 THR 44 HG23 THR 44 5.496 -1.982 19.022 337 H TYR 45 H TYR 45 3.749 -1.149 15.633 338 HA TYR 45 HA TYR 45 4.444 0.672 13.517 339 HB2 TYR 45 HB2 TYR 45 3.977 -0.545 11.583 340 HB3 TYR 45 HB3 TYR 45 4.887 -1.704 12.545 341 HD1 TYR 45 HD1 TYR 45 1.596 -0.844 11.190 342 HD2 TYR 45 HD2 TYR 45 3.799 -3.652 13.506 343 HE1 TYR 45 HE1 TYR 45 -0.257 -2.450 10.994 344 HE2 TYR 45 HE2 TYR 45 1.953 -5.267 13.315 345 HH TYR 45 HH TYR 45 -1.068 -4.417 11.666 346 H ASP 46 H ASP 46 2.595 1.640 12.508 347 HA ASP 46 HA ASP 46 0.074 1.078 14.023 348 HB2 ASP 46 HB2 ASP 46 0.784 3.197 14.765 349 HB3 ASP 46 HB3 ASP 46 1.333 3.680 13.162 350 H ASP 47 H ASP 47 -1.733 0.694 12.903 351 HA ASP 47 HA ASP 47 -1.672 0.012 10.191 352 HB2 ASP 47 HB2 ASP 47 -3.550 -0.792 11.255 353 HB3 ASP 47 HB3 ASP 47 -3.840 0.712 12.126 354 H ALA 48 H ALA 48 -2.747 3.093 11.664 355 HA ALA 48 HA ALA 48 -3.579 4.414 9.345 356 HB1 ALA 48 HB1 ALA 48 -2.924 5.120 12.022 357 HB2 ALA 48 HB2 ALA 48 -2.162 6.292 10.946 358 HB3 ALA 48 HB3 ALA 48 -3.901 6.010 10.854 359 H THR 49 H THR 49 -0.277 4.119 10.674 360 HA THR 49 HA THR 49 0.754 5.439 8.209 361 HB THR 49 HB THR 49 1.504 6.232 10.497 362 HG1 THR 49 HG1 THR 49 3.446 6.714 9.651 363 HG21 THR 49 HG21 THR 49 2.441 4.846 11.977 364 HG22 THR 49 HG22 THR 49 3.558 4.211 10.769 365 HG23 THR 49 HG23 THR 49 1.946 3.515 10.931 366 H LYS 50 H LYS 50 3.266 4.449 8.013 367 HA LYS 50 HA LYS 50 3.072 1.501 7.929 368 HB2 LYS 50 HB2 LYS 50 3.490 3.210 5.461 369 HB3 LYS 50 HB3 LYS 50 3.782 1.477 5.527 370 HG2 LYS 50 HG2 LYS 50 1.682 1.402 4.717 371 HG3 LYS 50 HG3 LYS 50 1.266 1.520 6.428 372 HD2 LYS 50 HD2 LYS 50 0.232 3.459 6.083 373 HD3 LYS 50 HD3 LYS 50 1.686 4.144 5.354 374 HE2 LYS 50 HE2 LYS 50 0.049 2.279 3.720 375 HE3 LYS 50 HE3 LYS 50 -0.586 3.898 4.007 376 HZ1 LYS 50 HZ1 LYS 50 2.069 3.269 2.833 377 HZ2 LYS 50 HZ2 LYS 50 1.454 4.821 3.102 378 HZ3 LYS 50 HZ3 LYS 50 0.712 3.802 1.973 379 H THR 51 H THR 51 4.627 3.230 9.537 380 HA THR 51 HA THR 51 7.345 2.768 8.371 381 HB THR 51 HB THR 51 6.450 4.862 10.373 382 HG1 THR 51 HG1 THR 51 6.249 4.999 7.875 383 HG21 THR 51 HG21 THR 51 9.108 3.776 9.713 384 HG22 THR 51 HG22 THR 51 8.556 4.625 11.157 385 HG23 THR 51 HG23 THR 51 8.990 5.535 9.710 386 H PHE 52 H PHE 52 8.690 1.434 9.397 387 HA PHE 52 HA PHE 52 7.896 0.581 12.154 388 HB2 PHE 52 HB2 PHE 52 9.499 -1.140 10.270 389 HB3 PHE 52 HB3 PHE 52 8.548 -1.623 11.670 390 HD1 PHE 52 HD1 PHE 52 6.019 -0.162 11.077 391 HD2 PHE 52 HD2 PHE 52 8.587 -2.452 8.571 392 HE1 PHE 52 HE1 PHE 52 4.116 -0.679 9.605 393 HE2 PHE 52 HE2 PHE 52 6.688 -2.972 7.095 394 HZ PHE 52 HZ PHE 52 4.449 -2.085 7.611 395 H THR 53 H THR 53 9.447 0.399 13.721 396 HA THR 53 HA THR 53 12.224 1.155 12.923 397 HB THR 53 HB THR 53 10.686 2.310 15.269 398 HG1 THR 53 HG1 THR 53 11.864 3.801 13.184 399 HG21 THR 53 HG21 THR 53 13.000 1.946 15.883 400 HG22 THR 53 HG22 THR 53 12.731 3.668 15.618 401 HG23 THR 53 HG23 THR 53 13.548 2.704 14.389 402 H VAL 54 H VAL 54 13.865 0.190 14.043 403 HA VAL 54 HA VAL 54 13.023 -1.708 16.198 404 HB VAL 54 HB VAL 54 13.488 -2.974 14.164 405 HG11 VAL 54 HG11 VAL 54 15.547 -2.904 12.994 406 HG12 VAL 54 HG12 VAL 54 15.033 -1.228 13.197 407 HG13 VAL 54 HG13 VAL 54 16.297 -1.896 14.232 408 HG21 VAL 54 HG21 VAL 54 15.146 -4.503 15.050 409 HG22 VAL 54 HG22 VAL 54 15.741 -3.260 16.151 410 HG23 VAL 54 HG23 VAL 54 14.116 -3.914 16.355 411 H THR 55 H THR 55 14.022 -1.417 18.065 412 HA THR 55 HA THR 55 16.656 0.006 18.006 413 HB THR 55 HB THR 55 14.626 0.081 20.255 414 HG1 THR 55 HG1 THR 55 13.913 1.961 19.418 415 HG21 THR 55 HG21 THR 55 16.182 2.249 20.586 416 HG22 THR 55 HG22 THR 55 17.350 1.156 19.843 417 HG23 THR 55 HG23 THR 55 16.528 0.689 21.332 418 H GLU 56 H GLU 56 18.352 -0.946 18.942 419 HA GLU 56 HA GLU 56 17.976 -3.639 20.025 420 HB2 GLU 56 HB2 GLU 56 20.371 -1.899 19.451 421 HB3 GLU 56 HB3 GLU 56 20.535 -3.411 20.333 422 HG2 GLU 56 HG2 GLU 56 19.018 -3.598 17.830 423 HG3 GLU 56 HG3 GLU 56 20.717 -3.165 17.647 Start of MODEL 11 1 H1 MET 1 H MET 1 2.125 2.147 -1.857 2 HA MET 1 HA MET 1 0.778 0.695 0.307 3 HB2 MET 1 HB2 MET 1 1.190 -0.232 -2.518 4 HB3 MET 1 HB3 MET 1 1.111 -1.394 -1.201 5 HG2 MET 1 HG2 MET 1 -1.095 -1.312 -1.203 6 HG3 MET 1 HG3 MET 1 -1.067 0.435 -0.973 7 HE1 MET 1 HE1 MET 1 -3.171 -1.586 -2.793 8 HE2 MET 1 HE2 MET 1 -2.677 -1.690 -4.483 9 HE3 MET 1 HE3 MET 1 -1.726 -2.496 -3.235 10 H GLN 2 H GLN 2 3.366 2.154 -0.031 11 HA GLN 2 HA GLN 2 5.209 -0.160 0.407 12 HB2 GLN 2 HB2 GLN 2 6.519 2.418 0.131 13 HB3 GLN 2 HB3 GLN 2 6.763 0.934 -0.780 14 HG2 GLN 2 HG2 GLN 2 4.899 1.500 -2.234 15 HG3 GLN 2 HG3 GLN 2 4.610 2.971 -1.306 16 HE21 GLN 2 HE21 GLN 2 5.335 4.712 -2.272 17 HE22 GLN 2 HE22 GLN 2 6.741 4.822 -3.270 18 H TYR 3 H TYR 3 6.347 -0.356 2.268 19 HA TYR 3 HA TYR 3 5.766 1.715 4.348 20 HB2 TYR 3 HB2 TYR 3 6.468 -1.161 4.937 21 HB3 TYR 3 HB3 TYR 3 5.696 0.020 5.990 22 HD1 TYR 3 HD1 TYR 3 3.620 1.060 4.084 23 HD2 TYR 3 HD2 TYR 3 4.891 -2.906 4.955 24 HE1 TYR 3 HE1 TYR 3 1.410 0.212 3.418 25 HE2 TYR 3 HE2 TYR 3 2.684 -3.765 4.291 26 HH TYR 3 HH TYR 3 0.674 -2.485 2.500 27 H LYS 4 H LYS 4 7.405 2.596 5.481 28 HA LYS 4 HA LYS 4 10.143 1.773 4.633 29 HB2 LYS 4 HB2 LYS 4 9.523 4.124 4.245 30 HB3 LYS 4 HB3 LYS 4 9.173 4.325 5.957 31 HG2 LYS 4 HG2 LYS 4 11.519 3.881 6.487 32 HG3 LYS 4 HG3 LYS 4 11.867 3.693 4.767 33 HD2 LYS 4 HD2 LYS 4 10.480 6.172 5.281 34 HD3 LYS 4 HD3 LYS 4 11.945 6.052 6.258 35 HE2 LYS 4 HE2 LYS 4 13.150 5.404 4.131 36 HE3 LYS 4 HE3 LYS 4 11.691 5.877 3.264 37 HZ1 LYS 4 HZ1 LYS 4 13.162 7.719 3.266 38 HZ2 LYS 4 HZ2 LYS 4 13.428 7.607 4.932 39 HZ3 LYS 4 HZ3 LYS 4 11.916 8.092 4.348 40 H LEU 5 H LEU 5 11.808 1.462 6.133 41 HA LEU 5 HA LEU 5 10.879 1.124 8.954 42 HB2 LEU 5 HB2 LEU 5 11.013 -1.076 8.220 43 HB3 LEU 5 HB3 LEU 5 12.400 -0.754 7.180 44 HG LEU 5 HG LEU 5 13.807 -0.535 9.215 45 HD11 LEU 5 HD11 LEU 5 11.816 -1.902 10.890 46 HD12 LEU 5 HD12 LEU 5 11.492 -0.199 10.566 47 HD13 LEU 5 HD13 LEU 5 13.015 -0.679 11.313 48 HD21 LEU 5 HD21 LEU 5 13.872 -2.936 9.717 49 HD22 LEU 5 HD22 LEU 5 13.737 -2.629 7.985 50 HD23 LEU 5 HD23 LEU 5 12.320 -3.141 8.904 51 H VAL 6 H VAL 6 12.359 1.558 10.583 52 HA VAL 6 HA VAL 6 14.852 2.919 9.632 53 HB VAL 6 HB VAL 6 13.159 3.581 12.057 54 HG11 VAL 6 HG11 VAL 6 14.739 5.550 12.199 55 HG12 VAL 6 HG12 VAL 6 15.413 3.984 12.653 56 HG13 VAL 6 HG13 VAL 6 15.782 4.680 11.074 57 HG21 VAL 6 HG21 VAL 6 12.305 4.261 9.770 58 HG22 VAL 6 HG22 VAL 6 12.522 5.563 10.939 59 HG23 VAL 6 HG23 VAL 6 13.714 5.316 9.663 60 H ILE 7 H ILE 7 16.758 2.578 10.730 61 HA ILE 7 HA ILE 7 16.659 0.303 12.669 62 HB ILE 7 HB ILE 7 18.933 1.184 10.873 63 HG12 ILE 7 HG12 ILE 7 17.452 -1.430 10.735 64 HG13 ILE 7 HG13 ILE 7 16.856 -0.009 9.884 65 HG21 ILE 7 HG21 ILE 7 20.287 0.019 12.186 66 HG22 ILE 7 HG22 ILE 7 18.944 -0.327 13.274 67 HG23 ILE 7 HG23 ILE 7 19.299 -1.419 11.936 68 HD11 ILE 7 HD11 ILE 7 19.182 -1.724 9.319 69 HD12 ILE 7 HD12 ILE 7 18.100 -0.868 8.219 70 HD13 ILE 7 HD13 ILE 7 19.394 0.004 9.041 71 H ASN 8 H ASN 8 16.615 1.183 14.654 72 HA ASN 8 HA ASN 8 18.621 3.324 15.225 73 HB2 ASN 8 HB2 ASN 8 15.906 2.694 16.326 74 HB3 ASN 8 HB3 ASN 8 17.084 3.466 17.383 75 HD21 ASN 8 HD21 ASN 8 18.325 5.283 16.069 76 HD22 ASN 8 HD22 ASN 8 17.272 6.418 15.302 77 H GLY 9 H GLY 9 19.964 1.141 15.108 78 HA2 GLY 9 HA2 GLY 9 19.848 -0.338 17.651 79 HA3 GLY 9 HA3 GLY 9 20.931 -0.648 16.302 80 H LYS 10 H LYS 10 22.564 -0.927 17.975 81 HA LYS 10 HA LYS 10 23.363 1.484 19.444 82 HB2 LYS 10 HB2 LYS 10 23.677 -1.230 19.855 83 HB3 LYS 10 HB3 LYS 10 25.283 -0.735 19.334 84 HG2 LYS 10 HG2 LYS 10 23.767 0.623 21.548 85 HG3 LYS 10 HG3 LYS 10 24.899 -0.706 21.806 86 HD2 LYS 10 HD2 LYS 10 26.301 1.069 20.206 87 HD3 LYS 10 HD3 LYS 10 25.416 2.110 21.324 88 HE2 LYS 10 HE2 LYS 10 27.505 1.616 22.340 89 HE3 LYS 10 HE3 LYS 10 26.284 0.669 23.189 90 HZ1 LYS 10 HZ1 LYS 10 28.028 -0.807 22.826 91 HZ2 LYS 10 HZ2 LYS 10 28.308 -0.262 21.249 92 HZ3 LYS 10 HZ3 LYS 10 26.932 -1.184 21.593 93 H THR 11 H THR 11 24.909 -0.653 17.002 94 HA THR 11 HA THR 11 26.457 1.750 16.111 95 HB THR 11 HB THR 11 27.662 -0.884 15.545 96 HG1 THR 11 HG1 THR 11 27.778 -1.542 17.546 97 HG21 THR 11 HG21 THR 11 29.368 0.904 16.946 98 HG22 THR 11 HG22 THR 11 28.431 1.846 15.786 99 HG23 THR 11 HG23 THR 11 29.396 0.476 15.236 100 H LEU 12 H LEU 12 23.901 0.933 15.113 101 HA LEU 12 HA LEU 12 24.673 0.594 12.291 102 HB2 LEU 12 HB2 LEU 12 24.339 -1.709 13.169 103 HB3 LEU 12 HB3 LEU 12 22.684 -1.274 13.592 104 HG LEU 12 HG LEU 12 22.088 -1.040 11.283 105 HD11 LEU 12 HD11 LEU 12 23.897 -0.072 10.208 106 HD12 LEU 12 HD12 LEU 12 23.897 -1.714 9.565 107 HD13 LEU 12 HD13 LEU 12 25.037 -1.265 10.833 108 HD21 LEU 12 HD21 LEU 12 23.535 -3.493 10.831 109 HD22 LEU 12 HD22 LEU 12 21.808 -3.235 11.079 110 HD23 LEU 12 HD23 LEU 12 22.879 -3.436 12.467 111 H LYS 13 H LYS 13 23.658 2.141 11.232 112 HA LYS 13 HA LYS 13 20.842 2.746 12.021 113 HB2 LYS 13 HB2 LYS 13 22.716 4.914 11.099 114 HB3 LYS 13 HB3 LYS 13 21.198 5.063 11.975 115 HG2 LYS 13 HG2 LYS 13 22.629 3.685 13.780 116 HG3 LYS 13 HG3 LYS 13 23.926 4.571 12.973 117 HD2 LYS 13 HD2 LYS 13 22.950 6.662 13.497 118 HD3 LYS 13 HD3 LYS 13 21.426 5.912 13.978 119 HE2 LYS 13 HE2 LYS 13 22.145 5.693 16.068 120 HE3 LYS 13 HE3 LYS 13 23.572 4.814 15.525 121 HZ1 LYS 13 HZ1 LYS 13 23.258 7.685 16.068 122 HZ2 LYS 13 HZ2 LYS 13 24.417 7.181 14.945 123 HZ3 LYS 13 HZ3 LYS 13 24.495 6.633 16.544 124 H GLY 14 H GLY 14 19.451 3.400 10.367 125 HA2 GLY 14 HA2 GLY 14 20.017 4.136 7.782 126 HA3 GLY 14 HA3 GLY 14 20.239 2.393 7.742 127 H GLU 15 H GLU 15 18.421 3.154 6.064 128 HA GLU 15 HA GLU 15 15.899 2.328 7.393 129 HB2 GLU 15 HB2 GLU 15 15.806 4.568 5.391 130 HB3 GLU 15 HB3 GLU 15 14.614 4.106 6.598 131 HG2 GLU 15 HG2 GLU 15 16.071 4.944 8.366 132 HG3 GLU 15 HG3 GLU 15 17.273 5.401 7.160 133 H THR 16 H THR 16 14.225 1.650 5.841 134 HA THR 16 HA THR 16 15.147 1.092 3.105 135 HB THR 16 HB THR 16 16.090 -0.793 4.447 136 HG1 THR 16 HG1 THR 16 15.202 -2.407 3.047 137 HG21 THR 16 HG21 THR 16 13.195 -1.504 4.937 138 HG22 THR 16 HG22 THR 16 14.308 -0.883 6.157 139 HG23 THR 16 HG23 THR 16 14.604 -2.453 5.410 140 H THR 17 H THR 17 13.411 -0.370 1.980 141 HA THR 17 HA THR 17 10.716 0.367 3.029 142 HB THR 17 HB THR 17 10.094 0.731 0.544 143 HG1 THR 17 HG1 THR 17 12.123 1.744 -0.466 144 HG21 THR 17 HG21 THR 17 9.961 2.584 1.989 145 HG22 THR 17 HG22 THR 17 10.989 3.125 0.661 146 HG23 THR 17 HG23 THR 17 11.710 2.652 2.199 147 H THR 18 H THR 18 8.940 -0.833 1.940 148 HA THR 18 HA THR 18 9.721 -3.326 0.593 149 HB THR 18 HB THR 18 8.162 -3.580 3.168 150 HG1 THR 18 HG1 THR 18 10.971 -3.837 2.756 151 HG21 THR 18 HG21 THR 18 9.697 -5.868 2.427 152 HG22 THR 18 HG22 THR 18 8.780 -5.323 1.022 153 HG23 THR 18 HG23 THR 18 7.945 -5.701 2.528 154 H LYS 19 H LYS 19 8.030 -4.345 -0.477 155 HA LYS 19 HA LYS 19 5.482 -2.776 -0.469 156 HB2 LYS 19 HB2 LYS 19 6.665 -2.571 -2.581 157 HB3 LYS 19 HB3 LYS 19 6.823 -4.318 -2.708 158 HG2 LYS 19 HG2 LYS 19 4.105 -3.939 -2.447 159 HG3 LYS 19 HG3 LYS 19 4.620 -2.588 -3.459 160 HD2 LYS 19 HD2 LYS 19 5.768 -5.215 -4.148 161 HD3 LYS 19 HD3 LYS 19 4.030 -5.046 -4.409 162 HE2 LYS 19 HE2 LYS 19 4.293 -3.414 -6.005 163 HE3 LYS 19 HE3 LYS 19 5.848 -2.886 -5.364 164 HZ1 LYS 19 HZ1 LYS 19 6.533 -3.988 -7.212 165 HZ2 LYS 19 HZ2 LYS 19 5.242 -5.080 -7.201 166 HZ3 LYS 19 HZ3 LYS 19 6.535 -5.289 -6.130 167 H ALA 20 H ALA 20 4.031 -3.834 0.720 168 HA ALA 20 HA ALA 20 3.596 -6.709 0.049 169 HB1 ALA 20 HB1 ALA 20 3.385 -5.679 2.873 170 HB2 ALA 20 HB2 ALA 20 3.401 -7.350 2.308 171 HB3 ALA 20 HB3 ALA 20 4.871 -6.378 2.227 172 H VAL 21 H VAL 21 1.448 -7.495 0.496 173 HA VAL 21 HA VAL 21 -0.543 -5.365 0.042 174 HB VAL 21 HB VAL 21 -2.119 -7.282 -0.275 175 HG11 VAL 21 HG11 VAL 21 -1.521 -7.462 -2.443 176 HG12 VAL 21 HG12 VAL 21 -0.318 -6.251 -1.997 177 HG13 VAL 21 HG13 VAL 21 0.127 -7.957 -2.058 178 HG21 VAL 21 HG21 VAL 21 -0.199 -9.357 -0.629 179 HG22 VAL 21 HG22 VAL 21 -0.049 -8.721 1.009 180 HG23 VAL 21 HG23 VAL 21 -1.605 -9.322 0.436 181 H ASP 22 H ASP 22 0.881 -6.357 2.720 182 HA ASP 22 HA ASP 22 -1.240 -5.509 4.436 183 HB2 ASP 22 HB2 ASP 22 -2.115 -7.782 3.837 184 HB3 ASP 22 HB3 ASP 22 -0.675 -8.485 4.569 185 H ALA 23 H ALA 23 -0.528 -5.074 6.493 186 HA ALA 23 HA ALA 23 2.211 -4.687 6.901 187 HB1 ALA 23 HB1 ALA 23 -0.043 -5.027 8.877 188 HB2 ALA 23 HB2 ALA 23 1.594 -4.569 9.352 189 HB3 ALA 23 HB3 ALA 23 0.665 -3.529 8.272 190 H GLU 24 H GLU 24 0.200 -7.503 7.702 191 HA GLU 24 HA GLU 24 2.174 -8.865 9.262 192 HB2 GLU 24 HB2 GLU 24 0.764 -10.755 9.110 193 HB3 GLU 24 HB3 GLU 24 -0.320 -9.371 9.070 194 HG2 GLU 24 HG2 GLU 24 -0.320 -9.578 6.566 195 HG3 GLU 24 HG3 GLU 24 0.530 -11.109 6.772 196 H THR 25 H THR 25 1.592 -8.605 5.801 197 HA THR 25 HA THR 25 3.356 -10.802 5.094 198 HB THR 25 HB THR 25 2.247 -8.509 3.450 199 HG1 THR 25 HG1 THR 25 0.554 -9.772 3.506 200 HG21 THR 25 HG21 THR 25 3.886 -10.906 2.641 201 HG22 THR 25 HG22 THR 25 4.234 -9.203 2.343 202 HG23 THR 25 HG23 THR 25 2.896 -9.989 1.507 203 H ALA 26 H ALA 26 3.626 -7.226 4.946 204 HA ALA 26 HA ALA 26 6.344 -7.234 4.044 205 HB1 ALA 26 HB1 ALA 26 4.387 -5.271 4.973 206 HB2 ALA 26 HB2 ALA 26 6.049 -4.855 5.392 207 HB3 ALA 26 HB3 ALA 26 5.611 -5.147 3.709 208 H GLU 27 H GLU 27 4.869 -7.611 7.187 209 HA GLU 27 HA GLU 27 6.909 -6.784 8.902 210 HB2 GLU 27 HB2 GLU 27 4.553 -8.248 9.132 211 HB3 GLU 27 HB3 GLU 27 5.789 -9.357 9.709 212 HG2 GLU 27 HG2 GLU 27 6.544 -7.178 11.040 213 HG3 GLU 27 HG3 GLU 27 4.828 -6.815 10.866 214 H LYS 28 H LYS 28 6.480 -10.112 7.612 215 HA LYS 28 HA LYS 28 8.828 -11.226 8.621 216 HB2 LYS 28 HB2 LYS 28 7.058 -11.758 6.307 217 HB3 LYS 28 HB3 LYS 28 8.672 -12.446 6.191 218 HG2 LYS 28 HG2 LYS 28 7.735 -14.168 7.279 219 HG3 LYS 28 HG3 LYS 28 8.024 -13.168 8.705 220 HD2 LYS 28 HD2 LYS 28 5.830 -12.759 9.015 221 HD3 LYS 28 HD3 LYS 28 5.512 -12.607 7.285 222 HE2 LYS 28 HE2 LYS 28 4.735 -14.687 7.187 223 HE3 LYS 28 HE3 LYS 28 6.198 -15.320 7.941 224 HZ1 LYS 28 HZ1 LYS 28 3.625 -15.012 9.059 225 HZ2 LYS 28 HZ2 LYS 28 4.733 -14.095 9.949 226 HZ3 LYS 28 HZ3 LYS 28 4.990 -15.753 9.729 227 H ALA 29 H ALA 29 8.388 -9.240 5.706 228 HA ALA 29 HA ALA 29 10.983 -9.593 4.615 229 HB1 ALA 29 HB1 ALA 29 8.702 -7.963 4.123 230 HB2 ALA 29 HB2 ALA 29 10.129 -6.926 4.127 231 HB3 ALA 29 HB3 ALA 29 10.056 -8.320 3.050 232 H PHE 30 H PHE 30 9.733 -7.093 6.860 233 HA PHE 30 HA PHE 30 12.257 -5.748 7.113 234 HB2 PHE 30 HB2 PHE 30 9.804 -5.809 8.891 235 HB3 PHE 30 HB3 PHE 30 11.187 -4.757 9.177 236 HD1 PHE 30 HD2 PHE 30 11.921 -3.471 6.890 237 HD2 PHE 30 HD1 PHE 30 8.009 -4.816 7.891 238 HE1 PHE 30 HE2 PHE 30 10.959 -1.793 5.370 239 HE2 PHE 30 HE1 PHE 30 7.041 -3.141 6.371 240 HZ PHE 30 HZ PHE 30 8.516 -1.626 5.109 241 H LYS 31 H LYS 31 10.672 -8.353 8.929 242 HA LYS 31 HA LYS 31 12.558 -8.424 11.082 243 HB2 LYS 31 HB2 LYS 31 10.724 -10.533 9.917 244 HB3 LYS 31 HB3 LYS 31 11.692 -10.791 11.362 245 HG2 LYS 31 HG2 LYS 31 10.232 -8.346 11.619 246 HG3 LYS 31 HG3 LYS 31 9.133 -9.653 11.173 247 HD2 LYS 31 HD2 LYS 31 10.919 -10.660 13.131 248 HD3 LYS 31 HD3 LYS 31 10.320 -9.102 13.705 249 HE2 LYS 31 HE2 LYS 31 8.202 -9.857 13.943 250 HE3 LYS 31 HE3 LYS 31 8.304 -10.905 12.529 251 HZ1 LYS 31 HZ1 LYS 31 8.896 -12.642 13.775 252 HZ2 LYS 31 HZ2 LYS 31 8.325 -11.748 15.092 253 HZ3 LYS 31 HZ3 LYS 31 9.975 -11.743 14.718 254 H GLN 32 H GLN 32 12.354 -10.222 7.998 255 HA GLN 32 HA GLN 32 14.548 -11.937 8.404 256 HB2 GLN 32 HB2 GLN 32 12.902 -11.969 6.491 257 HB3 GLN 32 HB3 GLN 32 13.800 -10.639 5.772 258 HG2 GLN 32 HG2 GLN 32 15.123 -13.230 6.494 259 HG3 GLN 32 HG3 GLN 32 14.303 -12.996 4.951 260 HE21 GLN 32 HE21 GLN 32 17.064 -13.552 5.319 261 HE22 GLN 32 HE22 GLN 32 17.954 -12.208 4.699 262 H TYR 33 H TYR 33 14.491 -8.683 6.901 263 HA TYR 33 HA TYR 33 17.300 -8.571 6.416 264 HB2 TYR 33 HB2 TYR 33 15.818 -7.040 5.296 265 HB3 TYR 33 HB3 TYR 33 15.239 -6.387 6.824 266 HD1 TYR 33 HD1 TYR 33 16.668 -4.892 8.158 267 HD2 TYR 33 HD2 TYR 33 17.897 -6.309 4.339 268 HE1 TYR 33 HE1 TYR 33 18.398 -3.146 8.074 269 HE2 TYR 33 HE2 TYR 33 19.631 -4.567 4.244 270 HH TYR 33 HH TYR 33 19.672 -1.917 5.991 271 H ALA 34 H ALA 34 15.408 -8.180 9.298 272 HA ALA 34 HA ALA 34 17.265 -6.556 10.774 273 HB1 ALA 34 HB1 ALA 34 15.422 -8.570 12.033 274 HB2 ALA 34 HB2 ALA 34 15.927 -6.991 12.637 275 HB3 ALA 34 HB3 ALA 34 14.801 -7.099 11.284 276 H ASN 35 H ASN 35 16.638 -10.094 10.806 277 HA ASN 35 HA ASN 35 18.729 -10.742 12.607 278 HB2 ASN 35 HB2 ASN 35 17.165 -12.443 12.212 279 HB3 ASN 35 HB3 ASN 35 17.274 -12.278 10.462 280 HD21 ASN 35 HD21 ASN 35 17.794 -14.330 9.949 281 HD22 ASN 35 HD22 ASN 35 19.250 -15.117 10.448 282 H ASP 36 H ASP 36 18.723 -10.196 9.119 283 HA ASP 36 HA ASP 36 21.157 -11.326 8.377 284 HB2 ASP 36 HB2 ASP 36 19.787 -8.782 7.498 285 HB3 ASP 36 HB3 ASP 36 21.293 -9.321 6.761 286 H ASN 37 H ASN 37 20.570 -8.240 10.042 287 HA ASN 37 HA ASN 37 23.531 -7.942 10.325 288 HB2 ASN 37 HB2 ASN 37 21.294 -5.902 10.508 289 HB3 ASN 37 HB3 ASN 37 22.973 -5.557 10.914 290 HD21 ASN 37 HD21 ASN 37 20.734 -6.305 8.360 291 HD22 ASN 37 HD22 ASN 37 21.761 -5.837 7.052 292 H GLY 38 H GLY 38 21.698 -9.701 11.902 293 HA2 GLY 38 HA2 GLY 38 21.313 -10.214 14.128 294 HA3 GLY 38 HA3 GLY 38 22.839 -9.396 14.428 295 H VAL 39 H VAL 39 19.807 -7.995 13.216 296 HA VAL 39 HA VAL 39 19.889 -6.132 15.535 297 HB VAL 39 HB VAL 39 18.181 -5.929 13.045 298 HG11 VAL 39 HG11 VAL 39 17.675 -4.666 15.268 299 HG12 VAL 39 HG12 VAL 39 19.026 -3.645 14.774 300 HG13 VAL 39 HG13 VAL 39 17.612 -3.803 13.732 301 HG21 VAL 39 HG21 VAL 39 20.487 -5.909 12.354 302 HG22 VAL 39 HG22 VAL 39 19.855 -4.265 12.277 303 HG23 VAL 39 HG23 VAL 39 20.896 -4.746 13.616 304 H ASP 40 H ASP 40 18.706 -6.665 17.234 305 HA ASP 40 HA ASP 40 15.953 -7.684 16.727 306 HB2 ASP 40 HB2 ASP 40 17.604 -9.542 17.349 307 HB3 ASP 40 HB3 ASP 40 17.691 -8.791 18.940 308 H GLY 41 H GLY 41 14.397 -7.109 18.252 309 HA2 GLY 41 HA2 GLY 41 14.907 -5.908 20.749 310 HA3 GLY 41 HA3 GLY 41 14.877 -4.610 19.565 311 H VAL 42 H VAL 42 13.026 -3.579 20.105 312 HA VAL 42 HA VAL 42 10.564 -5.236 20.331 313 HB VAL 42 HB VAL 42 10.873 -3.660 22.133 314 HG11 VAL 42 HG11 VAL 42 11.909 -1.984 20.094 315 HG12 VAL 42 HG12 VAL 42 10.552 -1.146 20.850 316 HG13 VAL 42 HG13 VAL 42 11.899 -1.715 21.837 317 HG21 VAL 42 HG21 VAL 42 8.731 -2.901 22.195 318 HG22 VAL 42 HG22 VAL 42 8.805 -2.224 20.568 319 HG23 VAL 42 HG23 VAL 42 8.591 -3.960 20.792 320 H TRP 43 H TRP 43 8.993 -5.246 18.849 321 HA TRP 43 HA TRP 43 9.427 -3.529 16.453 322 HB2 TRP 43 HB2 TRP 43 7.902 -6.106 16.891 323 HB3 TRP 43 HB3 TRP 43 7.745 -5.150 15.420 324 HD1 TRP 43 HD1 TRP 43 10.347 -7.221 17.361 325 HE1 TRP 43 HE1 TRP 43 12.184 -7.957 15.715 326 HE3 TRP 43 HE3 TRP 43 8.826 -4.620 13.231 327 HZ2 TRP 43 HZ2 TRP 43 12.895 -7.496 13.023 328 HZ3 TRP 43 HZ3 TRP 43 10.141 -4.822 11.160 329 HH2 TRP 43 HH2 TRP 43 12.133 -6.230 11.061 330 H THR 44 H THR 44 7.709 -2.397 15.470 331 HA THR 44 HA THR 44 5.150 -2.219 16.898 332 HB THR 44 HB THR 44 5.484 0.389 16.945 333 HG1 THR 44 HG1 THR 44 7.490 0.808 16.331 334 HG21 THR 44 HG21 THR 44 5.108 -1.211 18.876 335 HG22 THR 44 HG22 THR 44 5.976 0.275 19.262 336 HG23 THR 44 HG23 THR 44 6.860 -1.239 19.073 337 H TYR 45 H TYR 45 3.591 -1.984 15.450 338 HA TYR 45 HA TYR 45 4.233 -0.489 12.946 339 HB2 TYR 45 HB2 TYR 45 4.051 -2.379 11.760 340 HB3 TYR 45 HB3 TYR 45 3.631 -3.298 13.201 341 HD1 TYR 45 HD2 TYR 45 2.185 -1.164 10.527 342 HD2 TYR 45 HD1 TYR 45 1.450 -4.108 13.510 343 HE1 TYR 45 HE2 TYR 45 -0.100 -1.457 9.666 344 HE2 TYR 45 HE1 TYR 45 -0.837 -4.411 12.656 345 HH TYR 45 HH TYR 45 -2.198 -3.999 10.851 346 H ASP 46 H ASP 46 2.769 0.979 12.360 347 HA ASP 46 HA ASP 46 0.198 0.978 13.884 348 HB2 ASP 46 HB2 ASP 46 1.702 2.934 14.228 349 HB3 ASP 46 HB3 ASP 46 1.589 3.297 12.508 350 H ASP 47 H ASP 47 -1.745 1.593 12.813 351 HA ASP 47 HA ASP 47 -1.908 0.463 10.139 352 HB2 ASP 47 HB2 ASP 47 -3.876 0.016 11.192 353 HB3 ASP 47 HB3 ASP 47 -3.793 1.461 12.197 354 H ALA 48 H ALA 48 -2.773 3.690 11.467 355 HA ALA 48 HA ALA 48 -3.227 4.967 9.014 356 HB1 ALA 48 HB1 ALA 48 -1.971 6.231 11.457 357 HB2 ALA 48 HB2 ALA 48 -2.883 7.045 10.185 358 HB3 ALA 48 HB3 ALA 48 -3.695 5.911 11.263 359 H THR 49 H THR 49 -0.176 4.982 10.916 360 HA THR 49 HA THR 49 1.248 6.020 8.543 361 HB THR 49 HB THR 49 2.518 5.305 11.186 362 HG1 THR 49 HG1 THR 49 0.705 6.703 11.557 363 HG21 THR 49 HG21 THR 49 3.199 7.015 8.833 364 HG22 THR 49 HG22 THR 49 4.207 5.870 9.719 365 HG23 THR 49 HG23 THR 49 3.830 7.443 10.422 366 H LYS 50 H LYS 50 3.307 5.046 7.869 367 HA LYS 50 HA LYS 50 3.303 2.082 8.261 368 HB2 LYS 50 HB2 LYS 50 3.809 3.564 5.663 369 HB3 LYS 50 HB3 LYS 50 3.928 1.825 5.894 370 HG2 LYS 50 HG2 LYS 50 1.819 1.743 5.198 371 HG3 LYS 50 HG3 LYS 50 1.391 2.387 6.785 372 HD2 LYS 50 HD2 LYS 50 0.488 4.125 5.722 373 HD3 LYS 50 HD3 LYS 50 2.128 4.619 5.299 374 HE2 LYS 50 HE2 LYS 50 0.573 2.651 3.645 375 HE3 LYS 50 HE3 LYS 50 0.439 4.391 3.397 376 HZ1 LYS 50 HZ1 LYS 50 2.592 4.542 2.655 377 HZ2 LYS 50 HZ2 LYS 50 2.153 3.027 2.044 378 HZ3 LYS 50 HZ3 LYS 50 3.097 3.133 3.443 379 H THR 51 H THR 51 4.831 3.958 9.734 380 HA THR 51 HA THR 51 7.559 3.424 8.620 381 HB THR 51 HB THR 51 6.580 5.712 10.344 382 HG1 THR 51 HG1 THR 51 7.142 6.928 8.585 383 HG21 THR 51 HG21 THR 51 8.621 5.366 11.344 384 HG22 THR 51 HG22 THR 51 9.102 6.391 9.992 385 HG23 THR 51 HG23 THR 51 9.329 4.645 9.899 386 H PHE 52 H PHE 52 8.297 1.643 9.593 387 HA PHE 52 HA PHE 52 7.764 1.314 12.502 388 HB2 PHE 52 HB2 PHE 52 9.078 -0.707 10.680 389 HB3 PHE 52 HB3 PHE 52 8.267 -0.986 12.218 390 HD1 PHE 52 HD2 PHE 52 5.798 0.646 11.732 391 HD2 PHE 52 HD1 PHE 52 7.877 -2.130 9.264 392 HE1 PHE 52 HE2 PHE 52 3.706 0.147 10.537 393 HE2 PHE 52 HE1 PHE 52 5.788 -2.633 8.064 394 HZ PHE 52 HZ PHE 52 3.699 -1.495 8.701 395 H THR 53 H THR 53 9.473 0.682 13.943 396 HA THR 53 HA THR 53 12.186 1.487 12.988 397 HB THR 53 HB THR 53 10.938 2.327 15.623 398 HG1 THR 53 HG1 THR 53 10.429 4.112 14.612 399 HG21 THR 53 HG21 THR 53 13.660 2.870 14.431 400 HG22 THR 53 HG22 THR 53 13.310 1.924 15.877 401 HG23 THR 53 HG23 THR 53 13.014 3.662 15.867 402 H VAL 54 H VAL 54 13.832 0.227 13.643 403 HA VAL 54 HA VAL 54 13.154 -1.895 15.645 404 HB VAL 54 HB VAL 54 14.988 -2.066 13.240 405 HG11 VAL 54 HG11 VAL 54 15.313 -4.419 13.916 406 HG12 VAL 54 HG12 VAL 54 15.971 -3.276 15.088 407 HG13 VAL 54 HG13 VAL 54 14.438 -4.086 15.411 408 HG21 VAL 54 HG21 VAL 54 12.957 -4.093 13.448 409 HG22 VAL 54 HG22 VAL 54 12.232 -2.486 13.487 410 HG23 VAL 54 HG23 VAL 54 13.270 -2.952 12.140 411 H THR 55 H THR 55 14.217 -1.727 17.487 412 HA THR 55 HA THR 55 16.879 -0.363 17.428 413 HB THR 55 HB THR 55 16.522 0.359 19.664 414 HG1 THR 55 HG1 THR 55 14.468 -0.319 20.726 415 HG21 THR 55 HG21 THR 55 13.743 0.703 18.634 416 HG22 THR 55 HG22 THR 55 15.085 1.366 17.702 417 HG23 THR 55 HG23 THR 55 14.826 1.885 19.367 418 H GLU 56 H GLU 56 18.312 -1.047 19.337 419 HA GLU 56 HA GLU 56 18.453 -4.007 19.232 420 HB2 GLU 56 HB2 GLU 56 20.410 -1.835 19.977 421 HB3 GLU 56 HB3 GLU 56 20.721 -3.521 20.366 422 HG2 GLU 56 HG2 GLU 56 20.179 -2.498 17.590 423 HG3 GLU 56 HG3 GLU 56 21.788 -2.739 18.268 Start of MODEL 12 1 H1 MET 1 H MET 1 0.598 0.868 0.123 2 HA MET 1 HA MET 1 1.803 -1.511 -0.487 3 HB2 MET 1 HB2 MET 1 1.413 1.045 -1.929 4 HB3 MET 1 HB3 MET 1 2.616 -0.046 -2.603 5 HG2 MET 1 HG2 MET 1 0.493 -1.711 -2.105 6 HG3 MET 1 HG3 MET 1 -0.286 -0.217 -2.620 7 HE1 MET 1 HE1 MET 1 -0.491 -3.043 -4.373 8 HE2 MET 1 HE2 MET 1 -1.351 -1.511 -4.525 9 HE3 MET 1 HE3 MET 1 -0.505 -2.190 -5.917 10 H GLN 2 H GLN 2 3.295 1.505 0.470 11 HA GLN 2 HA GLN 2 5.941 0.124 0.324 12 HB2 GLN 2 HB2 GLN 2 5.457 3.076 -0.153 13 HB3 GLN 2 HB3 GLN 2 6.997 2.234 -0.253 14 HG2 GLN 2 HG2 GLN 2 6.391 1.120 -2.220 15 HG3 GLN 2 HG3 GLN 2 4.682 1.499 -2.008 16 HE21 GLN 2 HE21 GLN 2 7.828 3.055 -2.474 17 HE22 GLN 2 HE22 GLN 2 7.239 4.347 -3.457 18 H TYR 3 H TYR 3 6.725 -0.211 2.279 19 HA TYR 3 HA TYR 3 5.971 1.735 4.421 20 HB2 TYR 3 HB2 TYR 3 7.000 -1.078 4.843 21 HB3 TYR 3 HB3 TYR 3 6.192 -0.031 6.004 22 HD1 TYR 3 HD2 TYR 3 5.697 -2.111 2.995 23 HD2 TYR 3 HD1 TYR 3 3.814 0.075 6.122 24 HE1 TYR 3 HE2 TYR 3 3.538 -3.124 2.395 25 HE2 TYR 3 HE1 TYR 3 1.650 -0.933 5.532 26 HH TYR 3 HH TYR 3 1.274 -2.936 2.677 27 H LYS 4 H LYS 4 7.604 2.001 6.174 28 HA LYS 4 HA LYS 4 10.350 2.010 4.984 29 HB2 LYS 4 HB2 LYS 4 8.909 4.216 5.646 30 HB3 LYS 4 HB3 LYS 4 9.731 3.913 7.171 31 HG2 LYS 4 HG2 LYS 4 11.881 4.019 6.077 32 HG3 LYS 4 HG3 LYS 4 11.101 4.204 4.504 33 HD2 LYS 4 HD2 LYS 4 10.517 6.379 4.898 34 HD3 LYS 4 HD3 LYS 4 10.396 6.144 6.643 35 HE2 LYS 4 HE2 LYS 4 12.865 5.987 6.747 36 HE3 LYS 4 HE3 LYS 4 12.932 6.339 5.021 37 HZ1 LYS 4 HZ1 LYS 4 13.292 8.366 6.127 38 HZ2 LYS 4 HZ2 LYS 4 12.009 8.118 7.201 39 HZ3 LYS 4 HZ3 LYS 4 11.696 8.441 5.570 40 H LEU 5 H LEU 5 12.111 1.538 6.315 41 HA LEU 5 HA LEU 5 11.421 0.491 9.021 42 HB2 LEU 5 HB2 LEU 5 11.707 -1.241 7.059 43 HB3 LEU 5 HB3 LEU 5 13.424 -0.947 7.329 44 HG LEU 5 HG LEU 5 12.909 -2.882 8.559 45 HD11 LEU 5 HD11 LEU 5 13.401 -2.275 10.800 46 HD12 LEU 5 HD12 LEU 5 12.704 -0.670 10.589 47 HD13 LEU 5 HD13 LEU 5 14.201 -1.097 9.760 48 HD21 LEU 5 HD21 LEU 5 10.845 -1.946 10.335 49 HD22 LEU 5 HD22 LEU 5 10.874 -3.374 9.300 50 HD23 LEU 5 HD23 LEU 5 10.324 -1.827 8.654 51 H VAL 6 H VAL 6 12.424 1.948 10.271 52 HA VAL 6 HA VAL 6 15.146 2.844 9.515 53 HB VAL 6 HB VAL 6 13.369 3.706 11.814 54 HG11 VAL 6 HG11 VAL 6 15.036 5.712 11.654 55 HG12 VAL 6 HG12 VAL 6 15.480 4.259 12.552 56 HG13 VAL 6 HG13 VAL 6 16.100 4.513 10.920 57 HG21 VAL 6 HG21 VAL 6 13.447 5.855 10.272 58 HG22 VAL 6 HG22 VAL 6 13.694 4.645 9.013 59 HG23 VAL 6 HG23 VAL 6 12.252 4.582 10.025 60 H ILE 7 H ILE 7 16.985 2.414 10.642 61 HA ILE 7 HA ILE 7 16.702 0.325 12.761 62 HB ILE 7 HB ILE 7 19.100 0.978 11.028 63 HG12 ILE 7 HG12 ILE 7 17.180 -1.360 10.949 64 HG13 ILE 7 HG13 ILE 7 17.272 -0.064 9.762 65 HG21 ILE 7 HG21 ILE 7 18.933 -0.353 13.508 66 HG22 ILE 7 HG22 ILE 7 19.209 -1.585 12.278 67 HG23 ILE 7 HG23 ILE 7 20.324 -0.227 12.432 68 HD11 ILE 7 HD11 ILE 7 18.718 -2.504 9.859 69 HD12 ILE 7 HD12 ILE 7 18.753 -1.241 8.628 70 HD13 ILE 7 HD13 ILE 7 19.857 -1.166 10.001 71 H ASN 8 H ASN 8 16.612 1.358 14.672 72 HA ASN 8 HA ASN 8 18.634 3.495 15.166 73 HB2 ASN 8 HB2 ASN 8 15.957 3.556 15.627 74 HB3 ASN 8 HB3 ASN 8 16.526 2.965 17.185 75 HD21 ASN 8 HD21 ASN 8 18.670 4.227 17.821 76 HD22 ASN 8 HD22 ASN 8 18.489 5.945 17.787 77 H GLY 9 H GLY 9 19.882 1.175 15.114 78 HA2 GLY 9 HA2 GLY 9 19.819 -0.138 17.727 79 HA3 GLY 9 HA3 GLY 9 20.913 -0.489 16.397 80 H LYS 10 H LYS 10 22.600 -0.675 17.978 81 HA LYS 10 HA LYS 10 23.340 1.753 19.449 82 HB2 LYS 10 HB2 LYS 10 25.008 -0.745 19.112 83 HB3 LYS 10 HB3 LYS 10 25.069 0.434 20.416 84 HG2 LYS 10 HG2 LYS 10 22.917 -0.291 21.229 85 HG3 LYS 10 HG3 LYS 10 22.744 -1.399 19.866 86 HD2 LYS 10 HD2 LYS 10 24.981 -1.557 21.880 87 HD3 LYS 10 HD3 LYS 10 23.476 -2.471 22.011 88 HE2 LYS 10 HE2 LYS 10 24.075 -3.214 19.572 89 HE3 LYS 10 HE3 LYS 10 25.707 -2.746 20.046 90 HZ1 LYS 10 HZ1 LYS 10 24.830 -4.245 22.138 91 HZ2 LYS 10 HZ2 LYS 10 25.849 -4.782 20.899 92 HZ3 LYS 10 HZ3 LYS 10 24.182 -5.052 20.799 93 H THR 11 H THR 11 24.965 -0.311 16.995 94 HA THR 11 HA THR 11 26.320 2.176 16.028 95 HB THR 11 HB THR 11 27.729 -0.386 15.571 96 HG1 THR 11 HG1 THR 11 27.626 -0.925 17.619 97 HG21 THR 11 HG21 THR 11 29.672 1.024 16.166 98 HG22 THR 11 HG22 THR 11 28.571 2.353 16.528 99 HG23 THR 11 HG23 THR 11 28.692 1.731 14.882 100 H LEU 12 H LEU 12 23.846 1.160 15.058 101 HA LEU 12 HA LEU 12 24.667 0.688 12.259 102 HB2 LEU 12 HB2 LEU 12 24.339 -1.554 13.255 103 HB3 LEU 12 HB3 LEU 12 22.690 -1.104 13.682 104 HG LEU 12 HG LEU 12 22.039 -1.026 11.385 105 HD11 LEU 12 HD11 LEU 12 23.674 -1.572 9.586 106 HD12 LEU 12 HD12 LEU 12 24.963 -1.418 10.778 107 HD13 LEU 12 HD13 LEU 12 23.961 -0.023 10.379 108 HD21 LEU 12 HD21 LEU 12 21.839 -3.240 11.239 109 HD22 LEU 12 HD22 LEU 12 22.852 -3.327 12.680 110 HD23 LEU 12 HD23 LEU 12 23.581 -3.466 11.080 111 H LYS 13 H LYS 13 23.685 2.196 11.117 112 HA LYS 13 HA LYS 13 20.840 2.807 11.789 113 HB2 LYS 13 HB2 LYS 13 22.730 4.952 10.843 114 HB3 LYS 13 HB3 LYS 13 21.177 5.125 11.650 115 HG2 LYS 13 HG2 LYS 13 22.500 3.868 13.589 116 HG3 LYS 13 HG3 LYS 13 23.865 4.646 12.784 117 HD2 LYS 13 HD2 LYS 13 23.229 6.245 14.334 118 HD3 LYS 13 HD3 LYS 13 22.377 6.774 12.882 119 HE2 LYS 13 HE2 LYS 13 20.408 6.544 13.888 120 HE3 LYS 13 HE3 LYS 13 20.780 4.882 14.341 121 HZ1 LYS 13 HZ1 LYS 13 21.072 7.340 15.891 122 HZ2 LYS 13 HZ2 LYS 13 22.225 6.127 16.138 123 HZ3 LYS 13 HZ3 LYS 13 20.585 5.799 16.390 124 H GLY 14 H GLY 14 19.487 3.295 10.072 125 HA2 GLY 14 HA2 GLY 14 20.174 3.938 7.464 126 HA3 GLY 14 HA3 GLY 14 20.343 2.190 7.528 127 H GLU 15 H GLU 15 18.587 3.079 5.754 128 HA GLU 15 HA GLU 15 16.003 2.341 7.033 129 HB2 GLU 15 HB2 GLU 15 15.999 4.450 4.905 130 HB3 GLU 15 HB3 GLU 15 14.823 4.138 6.174 131 HG2 GLU 15 HG2 GLU 15 15.748 6.045 6.979 132 HG3 GLU 15 HG3 GLU 15 16.822 4.866 7.729 133 H THR 16 H THR 16 14.358 1.638 5.465 134 HA THR 16 HA THR 16 15.317 0.936 2.782 135 HB THR 16 HB THR 16 16.215 -0.893 4.260 136 HG1 THR 16 HG1 THR 16 16.003 -1.882 2.406 137 HG21 THR 16 HG21 THR 16 14.928 -1.915 5.765 138 HG22 THR 16 HG22 THR 16 13.750 -2.343 4.524 139 HG23 THR 16 HG23 THR 16 13.628 -0.795 5.360 140 H THR 17 H THR 17 13.556 -0.714 1.813 141 HA THR 17 HA THR 17 10.865 0.122 2.766 142 HB THR 17 HB THR 17 10.122 0.741 0.555 143 HG1 THR 17 HG1 THR 17 11.659 0.787 -1.189 144 HG21 THR 17 HG21 THR 17 12.750 2.165 0.874 145 HG22 THR 17 HG22 THR 17 11.428 2.395 2.020 146 HG23 THR 17 HG23 THR 17 11.205 2.810 0.320 147 H THR 18 H THR 18 9.110 -1.066 1.493 148 HA THR 18 HA THR 18 9.905 -3.604 0.293 149 HB THR 18 HB THR 18 8.291 -3.870 2.823 150 HG1 THR 18 HG1 THR 18 11.130 -4.039 2.586 151 HG21 THR 18 HG21 THR 18 9.517 -6.172 2.629 152 HG22 THR 18 HG22 THR 18 9.753 -5.686 0.950 153 HG23 THR 18 HG23 THR 18 8.123 -5.829 1.606 154 H LYS 19 H LYS 19 7.996 -4.950 -0.286 155 HA LYS 19 HA LYS 19 5.512 -3.302 -0.464 156 HB2 LYS 19 HB2 LYS 19 7.141 -4.479 -2.664 157 HB3 LYS 19 HB3 LYS 19 5.393 -4.600 -2.815 158 HG2 LYS 19 HG2 LYS 19 5.206 -2.173 -2.574 159 HG3 LYS 19 HG3 LYS 19 6.962 -2.057 -2.437 160 HD2 LYS 19 HD2 LYS 19 6.230 -1.530 -4.702 161 HD3 LYS 19 HD3 LYS 19 7.197 -3.007 -4.683 162 HE2 LYS 19 HE2 LYS 19 5.301 -4.374 -4.965 163 HE3 LYS 19 HE3 LYS 19 4.195 -3.064 -4.555 164 HZ1 LYS 19 HZ1 LYS 19 4.957 -3.830 -7.073 165 HZ2 LYS 19 HZ2 LYS 19 5.818 -2.401 -6.800 166 HZ3 LYS 19 HZ3 LYS 19 4.132 -2.412 -6.661 167 H ALA 20 H ALA 20 4.111 -4.382 0.767 168 HA ALA 20 HA ALA 20 3.753 -7.281 0.152 169 HB1 ALA 20 HB1 ALA 20 3.364 -7.738 2.525 170 HB2 ALA 20 HB2 ALA 20 4.990 -7.110 2.252 171 HB3 ALA 20 HB3 ALA 20 3.740 -6.060 2.919 172 H VAL 21 H VAL 21 1.622 -8.126 0.808 173 HA VAL 21 HA VAL 21 -0.441 -6.181 0.060 174 HB VAL 21 HB VAL 21 -0.925 -9.038 0.906 175 HG11 VAL 21 HG11 VAL 21 -2.663 -8.672 -1.012 176 HG12 VAL 21 HG12 VAL 21 -2.979 -8.043 0.606 177 HG13 VAL 21 HG13 VAL 21 -2.392 -6.966 -0.662 178 HG21 VAL 21 HG21 VAL 21 0.396 -8.003 -1.536 179 HG22 VAL 21 HG22 VAL 21 0.606 -9.541 -0.699 180 HG23 VAL 21 HG23 VAL 21 -0.793 -9.289 -1.743 181 H ASP 22 H ASP 22 1.079 -6.787 2.889 182 HA ASP 22 HA ASP 22 -0.816 -5.412 4.478 183 HB2 ASP 22 HB2 ASP 22 -1.425 -7.384 6.009 184 HB3 ASP 22 HB3 ASP 22 -2.284 -7.260 4.476 185 H ALA 23 H ALA 23 -0.099 -5.039 6.610 186 HA ALA 23 HA ALA 23 2.669 -4.915 6.960 187 HB1 ALA 23 HB1 ALA 23 1.198 -5.267 9.472 188 HB2 ALA 23 HB2 ALA 23 2.153 -3.902 8.892 189 HB3 ALA 23 HB3 ALA 23 0.477 -4.086 8.377 190 H GLU 24 H GLU 24 0.428 -7.528 7.796 191 HA GLU 24 HA GLU 24 2.299 -9.030 9.375 192 HB2 GLU 24 HB2 GLU 24 -0.005 -9.549 9.611 193 HB3 GLU 24 HB3 GLU 24 -0.220 -9.766 7.880 194 HG2 GLU 24 HG2 GLU 24 1.042 -11.801 7.916 195 HG3 GLU 24 HG3 GLU 24 1.470 -11.555 9.608 196 H THR 25 H THR 25 1.558 -8.889 5.918 197 HA THR 25 HA THR 25 3.174 -11.214 5.260 198 HB THR 25 HB THR 25 2.073 -8.976 3.538 199 HG1 THR 25 HG1 THR 25 1.266 -11.692 3.590 200 HG21 THR 25 HG21 THR 25 2.557 -10.568 1.649 201 HG22 THR 25 HG22 THR 25 3.545 -11.496 2.779 202 HG23 THR 25 HG23 THR 25 3.980 -9.833 2.387 203 H ALA 26 H ALA 26 3.697 -7.735 5.511 204 HA ALA 26 HA ALA 26 6.352 -7.921 4.263 205 HB1 ALA 26 HB1 ALA 26 5.828 -5.801 3.829 206 HB2 ALA 26 HB2 ALA 26 4.497 -5.819 4.988 207 HB3 ALA 26 HB3 ALA 26 6.134 -5.445 5.529 208 H GLU 27 H GLU 27 4.948 -8.210 7.407 209 HA GLU 27 HA GLU 27 6.979 -7.299 9.095 210 HB2 GLU 27 HB2 GLU 27 4.691 -8.964 9.310 211 HB3 GLU 27 HB3 GLU 27 6.020 -9.830 10.068 212 HG2 GLU 27 HG2 GLU 27 6.488 -7.803 11.425 213 HG3 GLU 27 HG3 GLU 27 5.037 -7.070 10.744 214 H LYS 28 H LYS 28 6.620 -10.665 7.885 215 HA LYS 28 HA LYS 28 9.006 -11.698 8.885 216 HB2 LYS 28 HB2 LYS 28 7.279 -12.303 6.536 217 HB3 LYS 28 HB3 LYS 28 8.885 -13.020 6.543 218 HG2 LYS 28 HG2 LYS 28 7.966 -14.664 7.726 219 HG3 LYS 28 HG3 LYS 28 7.991 -13.535 9.083 220 HD2 LYS 28 HD2 LYS 28 5.727 -12.804 8.520 221 HD3 LYS 28 HD3 LYS 28 5.703 -13.919 7.152 222 HE2 LYS 28 HE2 LYS 28 4.672 -15.254 8.664 223 HE3 LYS 28 HE3 LYS 28 6.337 -15.643 9.092 224 HZ1 LYS 28 HZ1 LYS 28 6.059 -14.770 11.097 225 HZ2 LYS 28 HZ2 LYS 28 4.404 -14.653 10.767 226 HZ3 LYS 28 HZ3 LYS 28 5.419 -13.332 10.477 227 H ALA 29 H ALA 29 8.506 -10.111 5.708 228 HA ALA 29 HA ALA 29 11.161 -10.311 4.786 229 HB1 ALA 29 HB1 ALA 29 8.775 -8.856 4.080 230 HB2 ALA 29 HB2 ALA 29 10.201 -7.837 3.877 231 HB3 ALA 29 HB3 ALA 29 10.106 -9.395 3.056 232 H PHE 30 H PHE 30 9.690 -8.070 7.078 233 HA PHE 30 HA PHE 30 12.036 -6.320 7.111 234 HB2 PHE 30 HB2 PHE 30 9.450 -6.459 8.645 235 HB3 PHE 30 HB3 PHE 30 10.761 -5.429 9.210 236 HD1 PHE 30 HD1 PHE 30 11.879 -4.264 6.860 237 HD2 PHE 30 HD2 PHE 30 7.807 -5.160 7.712 238 HE1 PHE 30 HE1 PHE 30 11.168 -2.502 5.297 239 HE2 PHE 30 HE2 PHE 30 7.089 -3.400 6.151 240 HZ PHE 30 HZ PHE 30 8.770 -2.068 4.940 241 H LYS 31 H LYS 31 10.812 -9.083 8.892 242 HA LYS 31 HA LYS 31 12.601 -8.747 11.153 243 HB2 LYS 31 HB2 LYS 31 10.929 -11.051 10.136 244 HB3 LYS 31 HB3 LYS 31 11.954 -11.189 11.558 245 HG2 LYS 31 HG2 LYS 31 10.463 -8.864 11.953 246 HG3 LYS 31 HG3 LYS 31 9.329 -10.048 11.296 247 HD2 LYS 31 HD2 LYS 31 9.363 -10.191 13.714 248 HD3 LYS 31 HD3 LYS 31 10.054 -11.658 13.017 249 HE2 LYS 31 HE2 LYS 31 12.024 -9.563 13.525 250 HE3 LYS 31 HE3 LYS 31 11.200 -10.120 14.981 251 HZ1 LYS 31 HZ1 LYS 31 11.862 -12.370 13.479 252 HZ2 LYS 31 HZ2 LYS 31 12.502 -11.892 14.970 253 HZ3 LYS 31 HZ3 LYS 31 13.243 -11.394 13.533 254 H GLN 32 H GLN 32 12.623 -10.674 8.154 255 HA GLN 32 HA GLN 32 14.972 -12.166 8.731 256 HB2 GLN 32 HB2 GLN 32 13.572 -12.828 6.908 257 HB3 GLN 32 HB3 GLN 32 13.738 -11.264 6.121 258 HG2 GLN 32 HG2 GLN 32 16.116 -11.726 5.735 259 HG3 GLN 32 HG3 GLN 32 15.918 -13.308 6.487 260 HE21 GLN 32 HE21 GLN 32 15.795 -11.561 3.625 261 HE22 GLN 32 HE22 GLN 32 15.059 -12.760 2.623 262 H TYR 33 H TYR 33 14.563 -9.116 6.891 263 HA TYR 33 HA TYR 33 17.239 -8.687 6.213 264 HB2 TYR 33 HB2 TYR 33 15.507 -7.250 5.360 265 HB3 TYR 33 HB3 TYR 33 15.087 -6.695 6.976 266 HD1 TYR 33 HD2 TYR 33 18.026 -6.797 4.669 267 HD2 TYR 33 HD1 TYR 33 15.910 -4.653 7.674 268 HE1 TYR 33 HE2 TYR 33 19.593 -4.917 4.422 269 HE2 TYR 33 HE1 TYR 33 17.470 -2.766 7.435 270 HH TYR 33 HH TYR 33 19.491 -2.367 4.868 271 H ALA 34 H ALA 34 15.569 -8.025 9.275 272 HA ALA 34 HA ALA 34 17.662 -6.538 10.509 273 HB1 ALA 34 HB1 ALA 34 16.220 -6.458 12.208 274 HB2 ALA 34 HB2 ALA 34 15.125 -7.423 11.216 275 HB3 ALA 34 HB3 ALA 34 16.195 -8.214 12.373 276 H ASN 35 H ASN 35 16.866 -10.035 10.695 277 HA ASN 35 HA ASN 35 18.973 -10.794 12.396 278 HB2 ASN 35 HB2 ASN 35 17.187 -12.123 10.475 279 HB3 ASN 35 HB3 ASN 35 18.731 -12.944 10.683 280 HD21 ASN 35 HD21 ASN 35 17.475 -14.663 11.605 281 HD22 ASN 35 HD22 ASN 35 16.989 -14.580 13.261 282 H ASP 36 H ASP 36 18.938 -10.306 8.878 283 HA ASP 36 HA ASP 36 21.397 -11.419 8.182 284 HB2 ASP 36 HB2 ASP 36 20.241 -8.802 7.168 285 HB3 ASP 36 HB3 ASP 36 21.456 -9.780 6.350 286 H ASN 37 H ASN 37 20.742 -8.247 9.663 287 HA ASN 37 HA ASN 37 23.691 -7.848 9.903 288 HB2 ASN 37 HB2 ASN 37 21.442 -5.844 10.276 289 HB3 ASN 37 HB3 ASN 37 23.167 -5.491 10.306 290 HD21 ASN 37 HD21 ASN 37 24.052 -6.984 8.180 291 HD22 ASN 37 HD22 ASN 37 23.388 -6.351 6.717 292 H GLY 38 H GLY 38 21.943 -9.633 11.569 293 HA2 GLY 38 HA2 GLY 38 21.624 -10.101 13.816 294 HA3 GLY 38 HA3 GLY 38 23.149 -9.260 14.050 295 H VAL 39 H VAL 39 20.065 -7.917 12.906 296 HA VAL 39 HA VAL 39 20.204 -5.997 15.176 297 HB VAL 39 HB VAL 39 18.476 -5.920 12.687 298 HG11 VAL 39 HG11 VAL 39 17.307 -4.539 14.054 299 HG12 VAL 39 HG12 VAL 39 18.694 -4.213 15.095 300 HG13 VAL 39 HG13 VAL 39 18.543 -3.390 13.542 301 HG21 VAL 39 HG21 VAL 39 20.180 -5.015 11.584 302 HG22 VAL 39 HG22 VAL 39 20.467 -3.851 12.877 303 HG23 VAL 39 HG23 VAL 39 21.222 -5.444 12.941 304 H ASP 40 H ASP 40 19.095 -6.493 16.935 305 HA ASP 40 HA ASP 40 16.383 -7.687 16.554 306 HB2 ASP 40 HB2 ASP 40 18.395 -9.173 17.509 307 HB3 ASP 40 HB3 ASP 40 17.929 -8.379 19.011 308 H GLY 41 H GLY 41 14.852 -6.400 17.304 309 HA2 GLY 41 HA2 GLY 41 15.278 -5.023 19.874 310 HA3 GLY 41 HA3 GLY 41 15.054 -3.979 18.478 311 H VAL 42 H VAL 42 13.154 -3.099 19.361 312 HA VAL 42 HA VAL 42 10.887 -5.008 19.647 313 HB VAL 42 HB VAL 42 9.670 -3.085 20.620 314 HG11 VAL 42 HG11 VAL 42 12.354 -3.641 21.880 315 HG12 VAL 42 HG12 VAL 42 10.955 -2.953 22.708 316 HG13 VAL 42 HG13 VAL 42 10.887 -4.600 22.079 317 HG21 VAL 42 HG21 VAL 42 10.354 -1.022 20.148 318 HG22 VAL 42 HG22 VAL 42 11.725 -1.286 21.226 319 HG23 VAL 42 HG23 VAL 42 11.882 -1.621 19.502 320 H TRP 43 H TRP 43 9.375 -5.216 18.143 321 HA TRP 43 HA TRP 43 9.497 -3.406 15.809 322 HB2 TRP 43 HB2 TRP 43 7.868 -5.924 16.280 323 HB3 TRP 43 HB3 TRP 43 7.990 -5.047 14.757 324 HD1 TRP 43 HD1 TRP 43 9.816 -7.571 16.901 325 HE1 TRP 43 HE1 TRP 43 11.885 -8.426 15.631 326 HE3 TRP 43 HE3 TRP 43 9.803 -4.259 13.007 327 HZ2 TRP 43 HZ2 TRP 43 13.322 -7.780 13.289 328 HZ3 TRP 43 HZ3 TRP 43 11.560 -4.445 11.295 329 HH2 TRP 43 HH2 TRP 43 13.283 -6.170 11.435 330 H THR 44 H THR 44 8.269 -1.666 15.683 331 HA THR 44 HA THR 44 5.522 -1.815 16.835 332 HB THR 44 HB THR 44 5.850 0.655 17.473 333 HG1 THR 44 HG1 THR 44 7.887 1.402 17.618 334 HG21 THR 44 HG21 THR 44 6.242 0.035 19.637 335 HG22 THR 44 HG22 THR 44 7.590 -1.018 19.206 336 HG23 THR 44 HG23 THR 44 5.932 -1.558 18.947 337 H TYR 45 H TYR 45 3.941 -0.870 15.652 338 HA TYR 45 HA TYR 45 4.585 1.074 13.570 339 HB2 TYR 45 HB2 TYR 45 4.308 -0.191 11.679 340 HB3 TYR 45 HB3 TYR 45 4.998 -1.426 12.726 341 HD1 TYR 45 HD1 TYR 45 3.359 -2.965 13.969 342 HD2 TYR 45 HD2 TYR 45 2.226 -0.524 10.673 343 HE1 TYR 45 HE1 TYR 45 1.381 -4.382 13.608 344 HE2 TYR 45 HE2 TYR 45 0.244 -1.934 10.303 345 HH TYR 45 HH TYR 45 -0.143 -4.870 11.343 346 H ASP 46 H ASP 46 2.777 2.137 12.750 347 HA ASP 46 HA ASP 46 0.250 1.471 14.208 348 HB2 ASP 46 HB2 ASP 46 0.904 3.599 14.954 349 HB3 ASP 46 HB3 ASP 46 1.478 4.090 13.363 350 H ASP 47 H ASP 47 -1.555 1.051 13.100 351 HA ASP 47 HA ASP 47 -1.497 0.387 10.382 352 HB2 ASP 47 HB2 ASP 47 -3.333 -0.468 11.506 353 HB3 ASP 47 HB3 ASP 47 -3.689 1.056 12.315 354 H ALA 48 H ALA 48 -2.633 3.430 11.889 355 HA ALA 48 HA ALA 48 -3.524 4.747 9.591 356 HB1 ALA 48 HB1 ALA 48 -3.845 6.352 11.090 357 HB2 ALA 48 HB2 ALA 48 -2.889 5.444 12.261 358 HB3 ALA 48 HB3 ALA 48 -2.107 6.626 11.212 359 H THR 49 H THR 49 -0.199 4.548 10.885 360 HA THR 49 HA THR 49 0.767 5.898 8.412 361 HB THR 49 HB THR 49 1.531 6.703 10.685 362 HG1 THR 49 HG1 THR 49 2.733 6.946 8.638 363 HG21 THR 49 HG21 THR 49 2.036 3.987 11.107 364 HG22 THR 49 HG22 THR 49 2.481 5.327 12.163 365 HG23 THR 49 HG23 THR 49 3.626 4.735 10.960 366 H LYS 50 H LYS 50 3.260 4.992 8.088 367 HA LYS 50 HA LYS 50 3.103 2.028 7.965 368 HB2 LYS 50 HB2 LYS 50 3.782 3.758 5.569 369 HB3 LYS 50 HB3 LYS 50 3.758 2.000 5.616 370 HG2 LYS 50 HG2 LYS 50 1.658 2.085 4.924 371 HG3 LYS 50 HG3 LYS 50 1.228 2.785 6.487 372 HD2 LYS 50 HD2 LYS 50 2.305 4.561 4.344 373 HD3 LYS 50 HD3 LYS 50 0.627 4.022 4.250 374 HE2 LYS 50 HE2 LYS 50 0.393 4.837 6.645 375 HE3 LYS 50 HE3 LYS 50 1.951 5.629 6.420 376 HZ1 LYS 50 HZ1 LYS 50 1.016 7.251 5.247 377 HZ2 LYS 50 HZ2 LYS 50 -0.479 6.679 5.793 378 HZ3 LYS 50 HZ3 LYS 50 0.120 6.181 4.291 379 H THR 51 H THR 51 4.599 3.711 9.693 380 HA THR 51 HA THR 51 7.360 3.399 8.589 381 HB THR 51 HB THR 51 6.308 5.154 10.823 382 HG1 THR 51 HG1 THR 51 6.312 6.610 9.297 383 HG21 THR 51 HG21 THR 51 8.862 5.948 10.516 384 HG22 THR 51 HG22 THR 51 9.044 4.221 10.204 385 HG23 THR 51 HG23 THR 51 8.352 4.775 11.729 386 H PHE 52 H PHE 52 8.786 2.046 9.503 387 HA PHE 52 HA PHE 52 7.951 0.754 12.070 388 HB2 PHE 52 HB2 PHE 52 9.174 -0.498 9.599 389 HB3 PHE 52 HB3 PHE 52 9.155 -1.299 11.166 390 HD1 PHE 52 HD2 PHE 52 6.757 0.490 8.930 391 HD2 PHE 52 HD1 PHE 52 7.480 -2.818 11.509 392 HE1 PHE 52 HE2 PHE 52 4.500 -0.366 8.459 393 HE2 PHE 52 HE1 PHE 52 5.224 -3.680 11.041 394 HZ PHE 52 HZ PHE 52 3.730 -2.454 9.515 395 H THR 53 H THR 53 9.461 0.510 13.632 396 HA THR 53 HA THR 53 12.266 1.248 12.926 397 HB THR 53 HB THR 53 10.782 2.261 15.369 398 HG1 THR 53 HG1 THR 53 11.639 3.612 13.007 399 HG21 THR 53 HG21 THR 53 13.125 1.927 15.842 400 HG22 THR 53 HG22 THR 53 12.822 3.655 15.659 401 HG23 THR 53 HG23 THR 53 13.582 2.749 14.351 402 H VAL 54 H VAL 54 13.887 0.311 14.177 403 HA VAL 54 HA VAL 54 12.956 -1.735 16.143 404 HB VAL 54 HB VAL 54 13.408 -2.966 14.123 405 HG11 VAL 54 HG11 VAL 54 16.185 -2.566 13.709 406 HG12 VAL 54 HG12 VAL 54 14.850 -2.236 12.603 407 HG13 VAL 54 HG13 VAL 54 15.404 -0.986 13.717 408 HG21 VAL 54 HG21 VAL 54 14.346 -3.691 16.437 409 HG22 VAL 54 HG22 VAL 54 14.832 -4.572 14.988 410 HG23 VAL 54 HG23 VAL 54 15.916 -3.376 15.698 411 H THR 55 H THR 55 13.805 -1.291 18.050 412 HA THR 55 HA THR 55 16.545 -0.086 18.095 413 HB THR 55 HB THR 55 14.625 0.091 20.405 414 HG1 THR 55 HG1 THR 55 13.764 0.931 18.266 415 HG21 THR 55 HG21 THR 55 17.249 0.949 19.924 416 HG22 THR 55 HG22 THR 55 16.215 1.383 21.285 417 HG23 THR 55 HG23 THR 55 16.252 2.401 19.846 418 H GLU 56 H GLU 56 18.135 -1.231 18.966 419 HA GLU 56 HA GLU 56 17.542 -3.845 20.109 420 HB2 GLU 56 HB2 GLU 56 20.078 -2.289 19.599 421 HB3 GLU 56 HB3 GLU 56 20.096 -3.818 20.466 422 HG2 GLU 56 HG2 GLU 56 19.520 -5.039 18.611 423 HG3 GLU 56 HG3 GLU 56 18.747 -3.668 17.817 Start of MODEL 13 1 H1 MET 1 H MET 1 0.697 0.259 0.399 2 HA MET 1 HA MET 1 1.830 -1.512 -1.533 3 HB2 MET 1 HB2 MET 1 1.670 1.493 -1.339 4 HB3 MET 1 HB3 MET 1 2.461 0.674 -2.680 5 HG2 MET 1 HG2 MET 1 -0.183 -0.386 -2.192 6 HG3 MET 1 HG3 MET 1 -0.215 1.351 -2.484 7 HE1 MET 1 HE1 MET 1 0.877 1.828 -6.050 8 HE2 MET 1 HE2 MET 1 -0.458 2.239 -4.973 9 HE3 MET 1 HE3 MET 1 1.209 2.428 -4.424 10 H GLN 2 H GLN 2 3.344 1.425 -0.174 11 HA GLN 2 HA GLN 2 5.890 -0.140 -0.026 12 HB2 GLN 2 HB2 GLN 2 6.911 2.246 -0.158 13 HB3 GLN 2 HB3 GLN 2 6.297 1.501 -1.628 14 HG2 GLN 2 HG2 GLN 2 4.212 2.768 -1.384 15 HG3 GLN 2 HG3 GLN 2 4.866 3.540 0.060 16 HE21 GLN 2 HE21 GLN 2 5.374 5.554 -0.388 17 HE22 GLN 2 HE22 GLN 2 6.190 6.109 -1.806 18 H TYR 3 H TYR 3 6.891 -0.325 1.871 19 HA TYR 3 HA TYR 3 5.888 1.412 4.094 20 HB2 TYR 3 HB2 TYR 3 6.956 -1.415 4.332 21 HB3 TYR 3 HB3 TYR 3 6.243 -0.440 5.613 22 HD1 TYR 3 HD2 TYR 3 5.488 -2.158 2.414 23 HD2 TYR 3 HD1 TYR 3 3.913 -0.424 5.966 24 HE1 TYR 3 HE2 TYR 3 3.273 -3.081 1.875 25 HE2 TYR 3 HE1 TYR 3 1.694 -1.344 5.438 26 HH TYR 3 HH TYR 3 0.824 -2.456 2.470 27 H LYS 4 H LYS 4 7.342 2.283 5.526 28 HA LYS 4 HA LYS 4 10.198 2.049 4.672 29 HB2 LYS 4 HB2 LYS 4 9.528 4.293 4.394 30 HB3 LYS 4 HB3 LYS 4 8.606 4.302 5.892 31 HG2 LYS 4 HG2 LYS 4 10.676 4.206 7.176 32 HG3 LYS 4 HG3 LYS 4 11.608 4.176 5.678 33 HD2 LYS 4 HD2 LYS 4 9.693 6.397 6.354 34 HD3 LYS 4 HD3 LYS 4 11.391 6.426 6.835 35 HE2 LYS 4 HE2 LYS 4 11.805 7.351 4.849 36 HE3 LYS 4 HE3 LYS 4 11.480 5.765 4.153 37 HZ1 LYS 4 HZ1 LYS 4 9.049 7.118 4.626 38 HZ2 LYS 4 HZ2 LYS 4 9.690 6.570 3.159 39 HZ3 LYS 4 HZ3 LYS 4 10.076 8.117 3.726 40 H LEU 5 H LEU 5 11.758 1.498 6.097 41 HA LEU 5 HA LEU 5 10.893 1.108 8.932 42 HB2 LEU 5 HB2 LEU 5 10.933 -1.073 8.104 43 HB3 LEU 5 HB3 LEU 5 12.337 -0.767 7.084 44 HG LEU 5 HG LEU 5 13.734 -0.655 9.139 45 HD11 LEU 5 HD11 LEU 5 11.172 -0.655 10.395 46 HD12 LEU 5 HD12 LEU 5 12.766 -0.454 11.121 47 HD13 LEU 5 HD13 LEU 5 12.081 -2.068 10.932 48 HD21 LEU 5 HD21 LEU 5 13.972 -2.970 9.331 49 HD22 LEU 5 HD22 LEU 5 13.287 -2.743 7.721 50 HD23 LEU 5 HD23 LEU 5 12.255 -3.264 9.054 51 H VAL 6 H VAL 6 12.447 1.423 10.531 52 HA VAL 6 HA VAL 6 15.007 2.626 9.553 53 HB VAL 6 HB VAL 6 13.352 3.586 11.903 54 HG11 VAL 6 HG11 VAL 6 15.513 4.055 12.544 55 HG12 VAL 6 HG12 VAL 6 16.073 4.271 10.884 56 HG13 VAL 6 HG13 VAL 6 15.091 5.518 11.654 57 HG21 VAL 6 HG21 VAL 6 12.264 4.877 10.463 58 HG22 VAL 6 HG22 VAL 6 13.792 5.615 9.982 59 HG23 VAL 6 HG23 VAL 6 13.189 4.197 9.124 60 H ILE 7 H ILE 7 16.848 2.277 10.783 61 HA ILE 7 HA ILE 7 16.525 0.138 12.849 62 HB ILE 7 HB ILE 7 18.865 0.731 11.021 63 HG12 ILE 7 HG12 ILE 7 17.686 -1.957 11.089 64 HG13 ILE 7 HG13 ILE 7 16.583 -0.712 10.513 65 HG21 ILE 7 HG21 ILE 7 19.777 0.072 13.115 66 HG22 ILE 7 HG22 ILE 7 18.591 -1.219 13.297 67 HG23 ILE 7 HG23 ILE 7 19.840 -1.338 12.058 68 HD11 ILE 7 HD11 ILE 7 17.651 -1.596 8.613 69 HD12 ILE 7 HD12 ILE 7 18.401 -0.027 8.908 70 HD13 ILE 7 HD13 ILE 7 19.241 -1.507 9.371 71 H ASN 8 H ASN 8 16.625 0.974 14.823 72 HA ASN 8 HA ASN 8 18.564 3.193 15.293 73 HB2 ASN 8 HB2 ASN 8 15.981 2.375 16.583 74 HB3 ASN 8 HB3 ASN 8 17.173 3.249 17.541 75 HD21 ASN 8 HD21 ASN 8 18.217 5.031 15.856 76 HD22 ASN 8 HD22 ASN 8 17.006 6.113 15.266 77 H GLY 9 H GLY 9 20.130 1.250 15.114 78 HA2 GLY 9 HA2 GLY 9 20.231 -0.373 17.567 79 HA3 GLY 9 HA3 GLY 9 21.326 -0.470 16.195 80 H LYS 10 H LYS 10 22.759 -0.700 18.226 81 HA LYS 10 HA LYS 10 23.379 1.837 19.549 82 HB2 LYS 10 HB2 LYS 10 23.667 -0.759 20.282 83 HB3 LYS 10 HB3 LYS 10 25.296 -0.422 19.711 84 HG2 LYS 10 HG2 LYS 10 23.874 1.306 21.718 85 HG3 LYS 10 HG3 LYS 10 24.890 -0.066 22.166 86 HD2 LYS 10 HD2 LYS 10 26.756 0.996 20.893 87 HD3 LYS 10 HD3 LYS 10 25.726 2.410 20.658 88 HE2 LYS 10 HE2 LYS 10 25.625 2.804 23.019 89 HE3 LYS 10 HE3 LYS 10 26.447 1.282 23.358 90 HZ1 LYS 10 HZ1 LYS 10 27.786 3.298 21.693 91 HZ2 LYS 10 HZ2 LYS 10 28.462 2.117 22.696 92 HZ3 LYS 10 HZ3 LYS 10 27.763 3.501 23.373 93 H THR 11 H THR 11 24.892 -0.287 17.113 94 HA THR 11 HA THR 11 26.588 2.046 16.333 95 HB THR 11 HB THR 11 27.844 -0.568 15.868 96 HG1 THR 11 HG1 THR 11 27.137 0.265 18.469 97 HG21 THR 11 HG21 THR 11 29.014 1.706 17.421 98 HG22 THR 11 HG22 THR 11 28.748 1.873 15.686 99 HG23 THR 11 HG23 THR 11 29.799 0.597 16.298 100 H LEU 12 H LEU 12 24.048 0.971 15.284 101 HA LEU 12 HA LEU 12 24.922 0.775 12.484 102 HB2 LEU 12 HB2 LEU 12 24.945 -1.528 12.897 103 HB3 LEU 12 HB3 LEU 12 23.525 -1.453 13.938 104 HG LEU 12 HG LEU 12 22.074 -1.190 12.052 105 HD11 LEU 12 HD11 LEU 12 22.902 0.025 10.365 106 HD12 LEU 12 HD12 LEU 12 23.504 -1.517 9.758 107 HD13 LEU 12 HD13 LEU 12 24.564 -0.465 10.695 108 HD21 LEU 12 HD21 LEU 12 22.709 -3.470 12.582 109 HD22 LEU 12 HD22 LEU 12 24.126 -3.342 11.539 110 HD23 LEU 12 HD23 LEU 12 22.507 -3.284 10.840 111 H LYS 13 H LYS 13 23.732 2.201 11.437 112 HA LYS 13 HA LYS 13 20.838 2.383 12.154 113 HB2 LYS 13 HB2 LYS 13 22.448 4.808 11.367 114 HB3 LYS 13 HB3 LYS 13 20.868 4.739 12.137 115 HG2 LYS 13 HG2 LYS 13 22.078 3.689 14.125 116 HG3 LYS 13 HG3 LYS 13 23.564 4.241 13.349 117 HD2 LYS 13 HD2 LYS 13 23.227 6.343 14.018 118 HD3 LYS 13 HD3 LYS 13 21.562 6.332 13.434 119 HE2 LYS 13 HE2 LYS 13 21.077 4.932 15.551 120 HE3 LYS 13 HE3 LYS 13 22.630 5.541 16.120 121 HZ1 LYS 13 HZ1 LYS 13 21.859 7.721 16.119 122 HZ2 LYS 13 HZ2 LYS 13 20.550 6.845 16.734 123 HZ3 LYS 13 HZ3 LYS 13 20.535 7.371 15.126 124 H GLY 14 H GLY 14 19.423 2.990 10.468 125 HA2 GLY 14 HA2 GLY 14 20.048 3.804 7.904 126 HA3 GLY 14 HA3 GLY 14 20.339 2.072 7.865 127 H GLU 15 H GLU 15 18.497 3.039 6.165 128 HA GLU 15 HA GLU 15 15.972 2.057 7.418 129 HB2 GLU 15 HB2 GLU 15 15.924 4.226 5.334 130 HB3 GLU 15 HB3 GLU 15 14.684 3.778 6.497 131 HG2 GLU 15 HG2 GLU 15 15.370 5.565 7.632 132 HG3 GLU 15 HG3 GLU 15 16.722 4.549 8.130 133 H THR 16 H THR 16 14.398 1.216 5.884 134 HA THR 16 HA THR 16 15.458 0.565 3.201 135 HB THR 16 HB THR 16 16.307 -1.280 4.563 136 HG1 THR 16 HG1 THR 16 15.807 -2.500 2.917 137 HG21 THR 16 HG21 THR 16 13.658 -2.394 5.186 138 HG22 THR 16 HG22 THR 16 14.096 -0.959 6.113 139 HG23 THR 16 HG23 THR 16 15.137 -2.382 6.145 140 H THR 17 H THR 17 13.813 -0.675 1.897 141 HA THR 17 HA THR 17 11.050 0.047 2.785 142 HB THR 17 HB THR 17 10.508 0.569 0.416 143 HG1 THR 17 HG1 THR 17 13.302 0.662 -0.064 144 HG21 THR 17 HG21 THR 17 11.063 2.370 1.988 145 HG22 THR 17 HG22 THR 17 11.596 2.757 0.352 146 HG23 THR 17 HG23 THR 17 12.766 2.219 1.556 147 H THR 18 H THR 18 9.341 -1.107 1.492 148 HA THR 18 HA THR 18 10.184 -3.654 0.296 149 HB THR 18 HB THR 18 10.140 -4.080 2.787 150 HG1 THR 18 HG1 THR 18 9.834 -5.959 1.830 151 HG21 THR 18 HG21 THR 18 8.226 -2.612 3.315 152 HG22 THR 18 HG22 THR 18 7.984 -4.260 3.895 153 HG23 THR 18 HG23 THR 18 7.163 -3.709 2.435 154 H LYS 19 H LYS 19 7.982 -5.057 0.065 155 HA LYS 19 HA LYS 19 5.725 -3.260 -0.582 156 HB2 LYS 19 HB2 LYS 19 7.425 -4.666 -2.596 157 HB3 LYS 19 HB3 LYS 19 5.689 -4.637 -2.873 158 HG2 LYS 19 HG2 LYS 19 5.711 -2.194 -2.751 159 HG3 LYS 19 HG3 LYS 19 7.456 -2.228 -2.486 160 HD2 LYS 19 HD2 LYS 19 6.153 -3.456 -4.905 161 HD3 LYS 19 HD3 LYS 19 6.684 -1.774 -4.859 162 HE2 LYS 19 HE2 LYS 19 8.883 -3.101 -3.920 163 HE3 LYS 19 HE3 LYS 19 8.243 -4.240 -5.104 164 HZ1 LYS 19 HZ1 LYS 19 9.842 -2.157 -5.684 165 HZ2 LYS 19 HZ2 LYS 19 8.316 -1.503 -6.010 166 HZ3 LYS 19 HZ3 LYS 19 8.815 -2.916 -6.794 167 H ALA 20 H ALA 20 4.233 -4.214 0.658 168 HA ALA 20 HA ALA 20 3.711 -7.100 0.104 169 HB1 ALA 20 HB1 ALA 20 3.363 -5.969 2.865 170 HB2 ALA 20 HB2 ALA 20 3.496 -7.653 2.357 171 HB3 ALA 20 HB3 ALA 20 4.918 -6.610 2.333 172 H VAL 21 H VAL 21 1.527 -7.790 0.466 173 HA VAL 21 HA VAL 21 -0.373 -5.663 -0.219 174 HB VAL 21 HB VAL 21 -2.018 -7.549 -0.329 175 HG11 VAL 21 HG11 VAL 21 0.419 -7.271 -1.948 176 HG12 VAL 21 HG12 VAL 21 -0.454 -8.790 -2.159 177 HG13 VAL 21 HG13 VAL 21 -1.276 -7.254 -2.433 178 HG21 VAL 21 HG21 VAL 21 -1.538 -9.683 0.260 179 HG22 VAL 21 HG22 VAL 21 0.161 -9.543 -0.192 180 HG23 VAL 21 HG23 VAL 21 -0.401 -8.879 1.343 181 H ASP 22 H ASP 22 0.924 -6.613 2.625 182 HA ASP 22 HA ASP 22 -1.208 -5.401 4.159 183 HB2 ASP 22 HB2 ASP 22 -2.248 -7.584 3.937 184 HB3 ASP 22 HB3 ASP 22 -0.767 -8.388 4.450 185 H ALA 23 H ALA 23 -0.552 -4.777 6.197 186 HA ALA 23 HA ALA 23 2.175 -4.353 6.628 187 HB1 ALA 23 HB1 ALA 23 1.275 -3.095 8.219 188 HB2 ALA 23 HB2 ALA 23 -0.261 -3.951 8.076 189 HB3 ALA 23 HB3 ALA 23 0.980 -4.543 9.181 190 H GLU 24 H GLU 24 0.119 -6.998 7.877 191 HA GLU 24 HA GLU 24 2.172 -8.216 9.453 192 HB2 GLU 24 HB2 GLU 24 -0.081 -8.827 9.892 193 HB3 GLU 24 HB3 GLU 24 -0.377 -9.262 8.214 194 HG2 GLU 24 HG2 GLU 24 1.032 -11.198 8.413 195 HG3 GLU 24 HG3 GLU 24 1.501 -10.733 10.047 196 H THR 25 H THR 25 1.402 -8.309 6.042 197 HA THR 25 HA THR 25 2.876 -10.720 5.447 198 HB THR 25 HB THR 25 2.160 -8.400 3.628 199 HG1 THR 25 HG1 THR 25 0.770 -10.641 4.567 200 HG21 THR 25 HG21 THR 25 3.865 -9.658 2.558 201 HG22 THR 25 HG22 THR 25 2.341 -10.205 1.859 202 HG23 THR 25 HG23 THR 25 3.158 -11.188 3.074 203 H ALA 26 H ALA 26 3.632 -7.232 5.051 204 HA ALA 26 HA ALA 26 6.312 -7.696 4.138 205 HB1 ALA 26 HB1 ALA 26 6.014 -5.167 5.503 206 HB2 ALA 26 HB2 ALA 26 6.246 -5.500 3.786 207 HB3 ALA 26 HB3 ALA 26 4.621 -5.493 4.471 208 H GLU 27 H GLU 27 4.841 -7.811 7.257 209 HA GLU 27 HA GLU 27 6.902 -7.017 8.968 210 HB2 GLU 27 HB2 GLU 27 4.526 -7.954 9.467 211 HB3 GLU 27 HB3 GLU 27 5.320 -9.522 9.505 212 HG2 GLU 27 HG2 GLU 27 6.895 -7.874 11.105 213 HG3 GLU 27 HG3 GLU 27 5.230 -7.460 11.508 214 H LYS 28 H LYS 28 6.309 -10.395 7.889 215 HA LYS 28 HA LYS 28 8.638 -11.528 8.925 216 HB2 LYS 28 HB2 LYS 28 6.812 -12.158 6.667 217 HB3 LYS 28 HB3 LYS 28 8.376 -12.961 6.651 218 HG2 LYS 28 HG2 LYS 28 7.618 -14.448 8.098 219 HG3 LYS 28 HG3 LYS 28 7.349 -13.162 9.278 220 HD2 LYS 28 HD2 LYS 28 5.146 -12.736 8.090 221 HD3 LYS 28 HD3 LYS 28 5.420 -14.261 7.245 222 HE2 LYS 28 HE2 LYS 28 4.655 -15.400 8.991 223 HE3 LYS 28 HE3 LYS 28 5.855 -14.649 10.041 224 HZ1 LYS 28 HZ1 LYS 28 3.048 -13.996 9.669 225 HZ2 LYS 28 HZ2 LYS 28 4.093 -12.677 9.839 226 HZ3 LYS 28 HZ3 LYS 28 4.019 -13.858 11.048 227 H ALA 29 H ALA 29 8.182 -9.851 5.812 228 HA ALA 29 HA ALA 29 10.815 -10.363 4.816 229 HB1 ALA 29 HB1 ALA 29 9.018 -9.640 3.361 230 HB2 ALA 29 HB2 ALA 29 8.902 -8.099 4.212 231 HB3 ALA 29 HB3 ALA 29 10.348 -8.485 3.280 232 H PHE 30 H PHE 30 9.447 -7.774 6.831 233 HA PHE 30 HA PHE 30 11.853 -6.166 6.778 234 HB2 PHE 30 HB2 PHE 30 9.260 -6.147 8.237 235 HB3 PHE 30 HB3 PHE 30 10.605 -5.318 9.013 236 HD1 PHE 30 HD2 PHE 30 12.052 -4.086 6.876 237 HD2 PHE 30 HD1 PHE 30 7.849 -4.588 7.320 238 HE1 PHE 30 HE2 PHE 30 11.669 -2.123 5.442 239 HE2 PHE 30 HE1 PHE 30 7.459 -2.627 5.886 240 HZ PHE 30 HZ PHE 30 9.371 -1.391 4.946 241 H LYS 31 H LYS 31 10.574 -8.723 8.856 242 HA LYS 31 HA LYS 31 12.594 -8.353 10.913 243 HB2 LYS 31 HB2 LYS 31 10.730 -10.666 10.307 244 HB3 LYS 31 HB3 LYS 31 11.752 -10.559 11.734 245 HG2 LYS 31 HG2 LYS 31 10.234 -8.158 11.513 246 HG3 LYS 31 HG3 LYS 31 9.149 -9.543 11.365 247 HD2 LYS 31 HD2 LYS 31 11.092 -9.951 13.466 248 HD3 LYS 31 HD3 LYS 31 10.184 -8.458 13.717 249 HE2 LYS 31 HE2 LYS 31 8.539 -10.735 12.892 250 HE3 LYS 31 HE3 LYS 31 9.352 -10.962 14.440 251 HZ1 LYS 31 HZ1 LYS 31 7.159 -9.941 14.680 252 HZ2 LYS 31 HZ2 LYS 31 7.655 -8.629 13.735 253 HZ3 LYS 31 HZ3 LYS 31 8.385 -8.916 15.234 254 H GLN 32 H GLN 32 12.149 -10.523 8.123 255 HA GLN 32 HA GLN 32 14.260 -12.300 8.573 256 HB2 GLN 32 HB2 GLN 32 12.769 -12.656 6.738 257 HB3 GLN 32 HB3 GLN 32 13.195 -11.118 6.000 258 HG2 GLN 32 HG2 GLN 32 14.878 -12.029 4.888 259 HG3 GLN 32 HG3 GLN 32 15.526 -12.772 6.349 260 HE21 GLN 32 HE21 GLN 32 16.098 -14.588 5.072 261 HE22 GLN 32 HE22 GLN 32 14.912 -15.762 4.625 262 H TYR 33 H TYR 33 14.408 -9.252 6.674 263 HA TYR 33 HA TYR 33 17.188 -9.323 6.197 264 HB2 TYR 33 HB2 TYR 33 15.803 -7.770 5.003 265 HB3 TYR 33 HB3 TYR 33 15.278 -6.991 6.491 266 HD1 TYR 33 HD2 TYR 33 18.026 -7.338 4.086 267 HD2 TYR 33 HD1 TYR 33 16.687 -5.384 7.621 268 HE1 TYR 33 HE2 TYR 33 19.856 -5.708 3.873 269 HE2 TYR 33 HE1 TYR 33 18.513 -3.749 7.417 270 HH TYR 33 HH TYR 33 20.328 -3.147 6.287 271 H ALA 34 H ALA 34 15.388 -8.494 9.069 272 HA ALA 34 HA ALA 34 17.371 -6.930 10.393 273 HB1 ALA 34 HB1 ALA 34 15.897 -6.910 12.080 274 HB2 ALA 34 HB2 ALA 34 14.823 -7.753 10.963 275 HB3 ALA 34 HB3 ALA 34 15.775 -8.669 12.131 276 H ASN 35 H ASN 35 16.739 -10.449 10.372 277 HA ASN 35 HA ASN 35 18.767 -11.116 12.269 278 HB2 ASN 35 HB2 ASN 35 17.102 -12.550 10.284 279 HB3 ASN 35 HB3 ASN 35 18.620 -13.341 10.700 280 HD21 ASN 35 HD21 ASN 35 17.172 -14.985 11.562 281 HD22 ASN 35 HD22 ASN 35 16.566 -14.802 13.170 282 H ASP 36 H ASP 36 18.819 -10.610 8.769 283 HA ASP 36 HA ASP 36 21.269 -11.750 8.092 284 HB2 ASP 36 HB2 ASP 36 20.174 -9.087 7.133 285 HB3 ASP 36 HB3 ASP 36 21.404 -10.047 6.316 286 H ASN 37 H ASN 37 20.639 -8.687 9.762 287 HA ASN 37 HA ASN 37 23.596 -8.366 10.076 288 HB2 ASN 37 HB2 ASN 37 21.430 -6.255 10.333 289 HB3 ASN 37 HB3 ASN 37 23.167 -5.987 10.443 290 HD21 ASN 37 HD21 ASN 37 24.219 -7.299 8.402 291 HD22 ASN 37 HD22 ASN 37 23.601 -6.728 6.893 292 H GLY 38 H GLY 38 21.700 -10.073 11.645 293 HA2 GLY 38 HA2 GLY 38 21.179 -10.482 13.870 294 HA3 GLY 38 HA3 GLY 38 22.771 -9.805 14.176 295 H VAL 39 H VAL 39 19.777 -8.264 12.994 296 HA VAL 39 HA VAL 39 20.076 -6.297 15.211 297 HB VAL 39 HB VAL 39 18.418 -6.160 12.678 298 HG11 VAL 39 HG11 VAL 39 17.240 -4.832 14.165 299 HG12 VAL 39 HG12 VAL 39 18.696 -4.326 15.026 300 HG13 VAL 39 HG13 VAL 39 18.346 -3.676 13.423 301 HG21 VAL 39 HG21 VAL 39 20.843 -6.019 12.302 302 HG22 VAL 39 HG22 VAL 39 20.030 -4.495 11.946 303 HG23 VAL 39 HG23 VAL 39 20.933 -4.682 13.449 304 H ASP 40 H ASP 40 19.007 -6.867 16.989 305 HA ASP 40 HA ASP 40 16.178 -7.770 16.625 306 HB2 ASP 40 HB2 ASP 40 18.029 -9.455 17.514 307 HB3 ASP 40 HB3 ASP 40 17.741 -8.615 19.035 308 H GLY 41 H GLY 41 14.682 -6.586 17.620 309 HA2 GLY 41 HA2 GLY 41 15.272 -5.216 20.124 310 HA3 GLY 41 HA3 GLY 41 15.134 -4.121 18.756 311 H VAL 42 H VAL 42 13.297 -3.075 19.446 312 HA VAL 42 HA VAL 42 10.891 -4.782 19.858 313 HB VAL 42 HB VAL 42 11.259 -3.170 21.616 314 HG11 VAL 42 HG11 VAL 42 12.215 -1.204 21.240 315 HG12 VAL 42 HG12 VAL 42 12.153 -1.507 19.503 316 HG13 VAL 42 HG13 VAL 42 10.813 -0.687 20.305 317 HG21 VAL 42 HG21 VAL 42 9.063 -1.915 20.023 318 HG22 VAL 42 HG22 VAL 42 8.921 -3.591 20.553 319 HG23 VAL 42 HG23 VAL 42 9.118 -2.303 21.742 320 H TRP 43 H TRP 43 9.529 -5.085 18.243 321 HA TRP 43 HA TRP 43 9.691 -3.284 15.900 322 HB2 TRP 43 HB2 TRP 43 8.192 -5.887 16.336 323 HB3 TRP 43 HB3 TRP 43 8.239 -4.989 14.821 324 HD1 TRP 43 HD1 TRP 43 10.251 -7.405 16.923 325 HE1 TRP 43 HE1 TRP 43 12.362 -8.104 15.628 326 HE3 TRP 43 HE3 TRP 43 9.981 -4.061 13.065 327 HZ2 TRP 43 HZ2 TRP 43 13.732 -7.340 13.281 328 HZ3 TRP 43 HZ3 TRP 43 11.731 -4.111 11.337 329 HH2 TRP 43 HH2 TRP 43 13.567 -5.717 11.445 330 H THR 44 H THR 44 8.257 -1.756 15.433 331 HA THR 44 HA THR 44 5.577 -1.913 16.732 332 HB THR 44 HB THR 44 5.842 0.710 16.858 333 HG1 THR 44 HG1 THR 44 8.036 1.230 17.444 334 HG21 THR 44 HG21 THR 44 5.470 0.002 18.952 335 HG22 THR 44 HG22 THR 44 7.221 0.055 19.151 336 HG23 THR 44 HG23 THR 44 6.429 -1.459 18.717 337 H TYR 45 H TYR 45 4.076 -1.904 15.213 338 HA TYR 45 HA TYR 45 4.578 -0.216 12.792 339 HB2 TYR 45 HB2 TYR 45 4.294 -2.002 11.474 340 HB3 TYR 45 HB3 TYR 45 4.250 -3.022 12.908 341 HD1 TYR 45 HD2 TYR 45 2.168 -1.166 10.487 342 HD2 TYR 45 HD1 TYR 45 2.214 -4.001 13.660 343 HE1 TYR 45 HE2 TYR 45 -0.168 -1.752 9.990 344 HE2 TYR 45 HE1 TYR 45 -0.122 -4.595 13.171 345 HH TYR 45 HH TYR 45 -1.987 -3.957 12.044 346 H ASP 46 H ASP 46 2.917 1.012 12.025 347 HA ASP 46 HA ASP 46 0.432 0.967 13.694 348 HB2 ASP 46 HB2 ASP 46 1.838 2.999 13.992 349 HB3 ASP 46 HB3 ASP 46 1.680 3.339 12.271 350 H ASP 47 H ASP 47 -1.562 1.505 12.661 351 HA ASP 47 HA ASP 47 -1.762 0.306 10.028 352 HB2 ASP 47 HB2 ASP 47 -3.704 -0.123 11.135 353 HB3 ASP 47 HB3 ASP 47 -3.618 1.357 12.086 354 H ALA 48 H ALA 48 -2.608 3.575 11.263 355 HA ALA 48 HA ALA 48 -3.174 4.780 8.812 356 HB1 ALA 48 HB1 ALA 48 -3.449 6.540 10.138 357 HB2 ALA 48 HB2 ALA 48 -2.733 5.625 11.466 358 HB3 ALA 48 HB3 ALA 48 -1.715 6.637 10.442 359 H THR 49 H THR 49 -0.023 5.097 10.516 360 HA THR 49 HA THR 49 1.233 5.804 7.936 361 HB THR 49 HB THR 49 1.853 7.151 9.853 362 HG1 THR 49 HG1 THR 49 3.730 7.171 8.885 363 HG21 THR 49 HG21 THR 49 3.112 6.156 11.747 364 HG22 THR 49 HG22 THR 49 2.757 4.553 11.101 365 HG23 THR 49 HG23 THR 49 1.444 5.592 11.655 366 H LYS 50 H LYS 50 3.363 4.840 7.378 367 HA LYS 50 HA LYS 50 3.419 1.939 8.111 368 HB2 LYS 50 HB2 LYS 50 3.908 3.210 5.402 369 HB3 LYS 50 HB3 LYS 50 4.241 1.525 5.780 370 HG2 LYS 50 HG2 LYS 50 2.161 1.025 5.228 371 HG3 LYS 50 HG3 LYS 50 1.587 2.012 6.574 372 HD2 LYS 50 HD2 LYS 50 2.326 3.274 3.958 373 HD3 LYS 50 HD3 LYS 50 0.741 2.531 4.183 374 HE2 LYS 50 HE2 LYS 50 0.174 4.585 4.917 375 HE3 LYS 50 HE3 LYS 50 0.897 4.024 6.424 376 HZ1 LYS 50 HZ1 LYS 50 1.795 6.065 4.613 377 HZ2 LYS 50 HZ2 LYS 50 3.018 4.976 5.036 378 HZ3 LYS 50 HZ3 LYS 50 2.182 5.819 6.242 379 H THR 51 H THR 51 4.856 3.983 9.449 380 HA THR 51 HA THR 51 7.635 3.474 8.464 381 HB THR 51 HB THR 51 6.503 5.748 10.108 382 HG1 THR 51 HG1 THR 51 6.345 6.264 7.999 383 HG21 THR 51 HG21 THR 51 9.096 6.425 9.726 384 HG22 THR 51 HG22 THR 51 9.249 4.685 9.967 385 HG23 THR 51 HG23 THR 51 8.480 5.683 11.201 386 H PHE 52 H PHE 52 8.037 1.524 9.459 387 HA PHE 52 HA PHE 52 7.605 1.347 12.381 388 HB2 PHE 52 HB2 PHE 52 8.932 -0.816 10.786 389 HB3 PHE 52 HB3 PHE 52 7.831 -0.947 12.153 390 HD1 PHE 52 HD1 PHE 52 5.546 0.637 11.300 391 HD2 PHE 52 HD2 PHE 52 7.992 -2.039 9.071 392 HE1 PHE 52 HE1 PHE 52 3.677 0.221 9.755 393 HE2 PHE 52 HE2 PHE 52 6.128 -2.459 7.522 394 HZ PHE 52 HZ PHE 52 3.967 -1.328 7.862 395 H THR 53 H THR 53 9.262 0.836 13.869 396 HA THR 53 HA THR 53 12.035 1.302 12.884 397 HB THR 53 HB THR 53 10.829 2.715 15.283 398 HG1 THR 53 HG1 THR 53 11.221 4.591 13.965 399 HG21 THR 53 HG21 THR 53 13.258 3.885 14.602 400 HG22 THR 53 HG22 THR 53 13.559 2.151 14.491 401 HG23 THR 53 HG23 THR 53 12.943 2.846 15.990 402 H VAL 54 H VAL 54 13.611 0.173 13.926 403 HA VAL 54 HA VAL 54 12.677 -1.554 16.188 404 HB VAL 54 HB VAL 54 13.020 -2.934 14.237 405 HG11 VAL 54 HG11 VAL 54 15.018 -2.994 12.952 406 HG12 VAL 54 HG12 VAL 54 14.547 -1.298 13.086 407 HG13 VAL 54 HG13 VAL 54 15.855 -1.933 14.085 408 HG21 VAL 54 HG21 VAL 54 15.546 -3.595 15.560 409 HG22 VAL 54 HG22 VAL 54 14.193 -3.353 16.665 410 HG23 VAL 54 HG23 VAL 54 14.076 -4.552 15.377 411 H THR 55 H THR 55 13.650 -1.152 18.044 412 HA THR 55 HA THR 55 16.315 0.187 17.956 413 HB THR 55 HB THR 55 14.821 -0.050 20.521 414 HG1 THR 55 HG1 THR 55 13.258 1.327 19.954 415 HG21 THR 55 HG21 THR 55 15.816 2.543 19.576 416 HG22 THR 55 HG22 THR 55 17.051 1.289 19.691 417 HG23 THR 55 HG23 THR 55 16.090 1.713 21.107 418 H GLU 56 H GLU 56 17.985 -1.140 18.150 419 HA GLU 56 HA GLU 56 17.672 -3.732 19.478 420 HB2 GLU 56 HB2 GLU 56 19.134 -3.118 17.406 421 HB3 GLU 56 HB3 GLU 56 20.302 -2.563 18.597 422 HG2 GLU 56 HG2 GLU 56 19.516 -5.090 19.470 423 HG3 GLU 56 HG3 GLU 56 19.701 -5.235 17.723 Start of MODEL 14 1 H1 MET 1 H MET 1 0.769 1.648 -0.378 2 HA MET 1 HA MET 1 1.441 -1.103 -0.409 3 HB2 MET 1 HB2 MET 1 1.741 1.153 -2.363 4 HB3 MET 1 HB3 MET 1 2.482 -0.406 -2.695 5 HG2 MET 1 HG2 MET 1 -0.436 -0.077 -2.067 6 HG3 MET 1 HG3 MET 1 0.215 -0.020 -3.703 7 HE1 MET 1 HE1 MET 1 -2.063 -2.131 -2.491 8 HE2 MET 1 HE2 MET 1 -1.615 -1.922 -4.184 9 HE3 MET 1 HE3 MET 1 -1.581 -3.528 -3.455 10 H GLN 2 H GLN 2 3.311 1.880 -0.126 11 HA GLN 2 HA GLN 2 5.772 0.204 0.148 12 HB2 GLN 2 HB2 GLN 2 6.921 2.488 -0.200 13 HB3 GLN 2 HB3 GLN 2 6.176 1.717 -1.594 14 HG2 GLN 2 HG2 GLN 2 4.199 3.147 -1.303 15 HG3 GLN 2 HG3 GLN 2 4.999 3.946 0.050 16 HE21 GLN 2 HE21 GLN 2 4.592 3.833 -3.311 17 HE22 GLN 2 HE22 GLN 2 5.754 5.038 -3.737 18 H TYR 3 H TYR 3 6.782 0.092 2.043 19 HA TYR 3 HA TYR 3 5.812 1.937 4.186 20 HB2 TYR 3 HB2 TYR 3 7.192 -0.731 4.571 21 HB3 TYR 3 HB3 TYR 3 6.320 0.216 5.772 22 HD1 TYR 3 HD1 TYR 3 5.931 -1.884 2.758 23 HD2 TYR 3 HD2 TYR 3 3.958 0.042 5.998 24 HE1 TYR 3 HE1 TYR 3 3.876 -3.133 2.241 25 HE2 TYR 3 HE2 TYR 3 1.898 -1.202 5.490 26 HH TYR 3 HH TYR 3 1.711 -3.852 3.827 27 H LYS 4 H LYS 4 7.290 2.815 5.680 28 HA LYS 4 HA LYS 4 10.047 3.023 4.551 29 HB2 LYS 4 HB2 LYS 4 8.698 5.119 4.757 30 HB3 LYS 4 HB3 LYS 4 8.645 4.877 6.498 31 HG2 LYS 4 HG2 LYS 4 10.351 6.503 5.829 32 HG3 LYS 4 HG3 LYS 4 11.046 5.099 6.642 33 HD2 LYS 4 HD2 LYS 4 12.276 4.572 4.856 34 HD3 LYS 4 HD3 LYS 4 10.887 4.709 3.776 35 HE2 LYS 4 HE2 LYS 4 11.847 7.288 4.731 36 HE3 LYS 4 HE3 LYS 4 13.072 6.388 3.839 37 HZ1 LYS 4 HZ1 LYS 4 10.746 6.124 2.388 38 HZ2 LYS 4 HZ2 LYS 4 12.083 7.083 1.998 39 HZ3 LYS 4 HZ3 LYS 4 10.787 7.749 2.855 40 H LEU 5 H LEU 5 11.181 1.393 5.474 41 HA LEU 5 HA LEU 5 10.992 1.098 8.431 42 HB2 LEU 5 HB2 LEU 5 10.730 -0.945 7.190 43 HB3 LEU 5 HB3 LEU 5 12.210 -0.642 6.282 44 HG LEU 5 HG LEU 5 13.129 -0.687 8.854 45 HD11 LEU 5 HD11 LEU 5 11.997 -3.051 9.453 46 HD12 LEU 5 HD12 LEU 5 10.621 -2.227 8.720 47 HD13 LEU 5 HD13 LEU 5 11.444 -1.508 10.104 48 HD21 LEU 5 HD21 LEU 5 13.082 -2.507 6.550 49 HD22 LEU 5 HD22 LEU 5 13.455 -3.271 8.095 50 HD23 LEU 5 HD23 LEU 5 14.440 -1.927 7.515 51 H VAL 6 H VAL 6 12.512 1.847 9.743 52 HA VAL 6 HA VAL 6 15.103 2.671 8.492 53 HB VAL 6 HB VAL 6 13.724 3.800 10.942 54 HG11 VAL 6 HG11 VAL 6 16.449 4.127 9.822 55 HG12 VAL 6 HG12 VAL 6 15.642 5.572 10.436 56 HG13 VAL 6 HG13 VAL 6 15.896 4.185 11.496 57 HG21 VAL 6 HG21 VAL 6 12.550 4.788 9.257 58 HG22 VAL 6 HG22 VAL 6 13.927 5.887 9.315 59 HG23 VAL 6 HG23 VAL 6 13.863 4.619 8.092 60 H ILE 7 H ILE 7 17.032 2.170 9.480 61 HA ILE 7 HA ILE 7 16.795 0.116 11.640 62 HB ILE 7 HB ILE 7 18.993 0.548 9.601 63 HG12 ILE 7 HG12 ILE 7 17.481 -2.000 9.853 64 HG13 ILE 7 HG13 ILE 7 16.631 -0.633 9.141 65 HG21 ILE 7 HG21 ILE 7 18.932 -0.905 12.136 66 HG22 ILE 7 HG22 ILE 7 19.457 -1.880 10.764 67 HG23 ILE 7 HG23 ILE 7 20.304 -0.384 11.158 68 HD11 ILE 7 HD11 ILE 7 19.275 -1.691 8.174 69 HD12 ILE 7 HD12 ILE 7 17.706 -2.099 7.480 70 HD13 ILE 7 HD13 ILE 7 18.291 -0.437 7.419 71 H ASN 8 H ASN 8 17.208 0.892 13.591 72 HA ASN 8 HA ASN 8 19.458 2.850 13.834 73 HB2 ASN 8 HB2 ASN 8 17.037 2.712 15.651 74 HB3 ASN 8 HB3 ASN 8 18.288 3.952 15.622 75 HD21 ASN 8 HD21 ASN 8 18.551 4.845 13.247 76 HD22 ASN 8 HD22 ASN 8 17.068 5.368 12.532 77 H GLY 9 H GLY 9 20.699 0.781 14.007 78 HA2 GLY 9 HA2 GLY 9 20.304 -0.694 16.520 79 HA3 GLY 9 HA3 GLY 9 21.511 -1.022 15.285 80 H LYS 10 H LYS 10 22.631 -1.334 17.518 81 HA LYS 10 HA LYS 10 23.389 0.932 19.044 82 HB2 LYS 10 HB2 LYS 10 24.473 -1.816 18.618 83 HB3 LYS 10 HB3 LYS 10 25.530 -0.638 19.386 84 HG2 LYS 10 HG2 LYS 10 22.893 -0.585 20.554 85 HG3 LYS 10 HG3 LYS 10 23.591 -2.206 20.609 86 HD2 LYS 10 HD2 LYS 10 25.666 -1.176 21.573 87 HD3 LYS 10 HD3 LYS 10 24.778 0.345 21.693 88 HE2 LYS 10 HE2 LYS 10 24.062 -2.262 23.032 89 HE3 LYS 10 HE3 LYS 10 24.740 -0.836 23.816 90 HZ1 LYS 10 HZ1 LYS 10 22.661 -0.191 24.161 91 HZ2 LYS 10 HZ2 LYS 10 22.031 -1.417 23.181 92 HZ3 LYS 10 HZ3 LYS 10 22.502 0.056 22.495 93 H THR 11 H THR 11 25.397 -0.811 16.623 94 HA THR 11 HA THR 11 26.703 1.822 16.048 95 HB THR 11 HB THR 11 28.210 -0.664 15.445 96 HG1 THR 11 HG1 THR 11 27.402 0.067 18.025 97 HG21 THR 11 HG21 THR 11 29.519 1.398 17.007 98 HG22 THR 11 HG22 THR 11 28.729 2.064 15.578 99 HG23 THR 11 HG23 THR 11 29.919 0.775 15.407 100 H LEU 12 H LEU 12 24.375 0.241 14.819 101 HA LEU 12 HA LEU 12 25.415 0.436 12.033 102 HB2 LEU 12 HB2 LEU 12 25.380 -1.872 12.280 103 HB3 LEU 12 HB3 LEU 12 23.954 -1.844 13.316 104 HG LEU 12 HG LEU 12 22.514 -1.482 11.444 105 HD11 LEU 12 HD11 LEU 12 24.995 -0.647 10.150 106 HD12 LEU 12 HD12 LEU 12 23.327 -0.181 9.819 107 HD13 LEU 12 HD13 LEU 12 23.975 -1.675 9.143 108 HD21 LEU 12 HD21 LEU 12 24.572 -3.631 11.029 109 HD22 LEU 12 HD22 LEU 12 23.149 -3.477 9.999 110 HD23 LEU 12 HD23 LEU 12 22.959 -3.773 11.728 111 H LYS 13 H LYS 13 24.376 2.113 11.194 112 HA LYS 13 HA LYS 13 21.425 2.259 11.677 113 HB2 LYS 13 HB2 LYS 13 23.537 4.310 11.899 114 HB3 LYS 13 HB3 LYS 13 22.120 4.818 10.990 115 HG2 LYS 13 HG2 LYS 13 20.986 5.142 12.860 116 HG3 LYS 13 HG3 LYS 13 21.284 3.479 13.373 117 HD2 LYS 13 HD2 LYS 13 23.437 4.146 14.311 118 HD3 LYS 13 HD3 LYS 13 23.166 5.806 13.774 119 HE2 LYS 13 HE2 LYS 13 21.246 4.392 15.600 120 HE3 LYS 13 HE3 LYS 13 22.658 5.246 16.219 121 HZ1 LYS 13 HZ1 LYS 13 20.547 6.561 16.150 122 HZ2 LYS 13 HZ2 LYS 13 20.641 6.523 14.462 123 HZ3 LYS 13 HZ3 LYS 13 21.859 7.280 15.360 124 H GLY 14 H GLY 14 20.100 2.543 9.949 125 HA2 GLY 14 HA2 GLY 14 21.042 3.490 7.399 126 HA3 GLY 14 HA3 GLY 14 20.956 1.735 7.404 127 H GLU 15 H GLU 15 19.411 2.347 5.599 128 HA GLU 15 HA GLU 15 16.697 2.258 6.767 129 HB2 GLU 15 HB2 GLU 15 17.613 4.685 5.953 130 HB3 GLU 15 HB3 GLU 15 16.935 4.084 4.447 131 HG2 GLU 15 HG2 GLU 15 14.802 4.158 5.209 132 HG3 GLU 15 HG3 GLU 15 15.267 3.824 6.876 133 H THR 16 H THR 16 15.028 1.782 5.074 134 HA THR 16 HA THR 16 15.870 0.782 2.507 135 HB THR 16 HB THR 16 16.810 -1.007 4.004 136 HG1 THR 16 HG1 THR 16 16.423 -1.780 2.020 137 HG21 THR 16 HG21 THR 16 14.151 -2.193 4.430 138 HG22 THR 16 HG22 THR 16 14.502 -0.773 5.415 139 HG23 THR 16 HG23 THR 16 15.567 -2.177 5.480 140 H THR 17 H THR 17 14.047 -0.782 1.619 141 HA THR 17 HA THR 17 11.408 -0.072 2.754 142 HB THR 17 HB THR 17 10.530 0.876 0.740 143 HG1 THR 17 HG1 THR 17 11.436 0.076 -1.016 144 HG21 THR 17 HG21 THR 17 13.229 2.149 1.202 145 HG22 THR 17 HG22 THR 17 11.816 2.396 2.227 146 HG23 THR 17 HG23 THR 17 11.789 2.927 0.546 147 H THR 18 H THR 18 9.616 -1.084 1.334 148 HA THR 18 HA THR 18 10.452 -3.459 -0.163 149 HB THR 18 HB THR 18 10.564 -4.133 2.290 150 HG1 THR 18 HG1 THR 18 9.765 -6.126 1.770 151 HG21 THR 18 HG21 THR 18 8.573 -4.454 3.528 152 HG22 THR 18 HG22 THR 18 7.558 -4.124 2.124 153 HG23 THR 18 HG23 THR 18 8.471 -2.818 2.879 154 H LYS 19 H LYS 19 8.196 -4.926 -0.237 155 HA LYS 19 HA LYS 19 5.922 -3.086 -0.672 156 HB2 LYS 19 HB2 LYS 19 7.420 -4.509 -2.840 157 HB3 LYS 19 HB3 LYS 19 5.673 -4.365 -2.983 158 HG2 LYS 19 HG2 LYS 19 5.843 -1.943 -2.830 159 HG3 LYS 19 HG3 LYS 19 7.594 -2.070 -2.642 160 HD2 LYS 19 HD2 LYS 19 7.010 -1.507 -4.939 161 HD3 LYS 19 HD3 LYS 19 7.750 -3.108 -4.859 162 HE2 LYS 19 HE2 LYS 19 5.814 -4.178 -5.411 163 HE3 LYS 19 HE3 LYS 19 4.793 -2.950 -4.665 164 HZ1 LYS 19 HZ1 LYS 19 5.690 -3.171 -7.375 165 HZ2 LYS 19 HZ2 LYS 19 5.993 -1.639 -6.725 166 HZ3 LYS 19 HZ3 LYS 19 4.418 -2.259 -6.732 167 H ALA 20 H ALA 20 4.471 -4.038 0.608 168 HA ALA 20 HA ALA 20 3.927 -6.927 0.082 169 HB1 ALA 20 HB1 ALA 20 5.016 -5.922 2.449 170 HB2 ALA 20 HB2 ALA 20 3.311 -6.193 2.811 171 HB3 ALA 20 HB3 ALA 20 4.303 -7.515 2.196 172 H VAL 21 H VAL 21 1.750 -7.621 0.608 173 HA VAL 21 HA VAL 21 -0.174 -5.495 -0.062 174 HB VAL 21 HB VAL 21 -0.860 -8.381 0.479 175 HG11 VAL 21 HG11 VAL 21 -2.196 -6.040 -0.634 176 HG12 VAL 21 HG12 VAL 21 -2.329 -7.473 -1.655 177 HG13 VAL 21 HG13 VAL 21 -2.876 -7.529 0.021 178 HG21 VAL 21 HG21 VAL 21 0.560 -7.200 -1.865 179 HG22 VAL 21 HG22 VAL 21 0.806 -8.754 -1.066 180 HG23 VAL 21 HG23 VAL 21 -0.588 -8.515 -2.120 181 H ASP 22 H ASP 22 1.229 -6.288 2.722 182 HA ASP 22 HA ASP 22 -0.806 -5.115 4.340 183 HB2 ASP 22 HB2 ASP 22 -1.946 -7.274 4.037 184 HB3 ASP 22 HB3 ASP 22 -0.524 -8.122 4.640 185 H ALA 23 H ALA 23 -0.014 -4.477 6.293 186 HA ALA 23 HA ALA 23 2.756 -4.355 6.673 187 HB1 ALA 23 HB1 ALA 23 1.199 -2.887 7.819 188 HB2 ALA 23 HB2 ALA 23 0.578 -4.238 8.769 189 HB3 ALA 23 HB3 ALA 23 2.242 -3.695 8.990 190 H GLU 24 H GLU 24 0.491 -6.888 7.555 191 HA GLU 24 HA GLU 24 2.200 -8.216 9.450 192 HB2 GLU 24 HB2 GLU 24 -0.119 -8.740 9.490 193 HB3 GLU 24 HB3 GLU 24 -0.143 -9.127 7.775 194 HG2 GLU 24 HG2 GLU 24 1.193 -11.108 8.175 195 HG3 GLU 24 HG3 GLU 24 1.305 -10.708 9.888 196 H THR 25 H THR 25 1.339 -9.132 6.083 197 HA THR 25 HA THR 25 3.260 -11.179 5.829 198 HB THR 25 HB THR 25 1.440 -10.825 4.211 199 HG1 THR 25 HG1 THR 25 2.803 -11.994 3.085 200 HG21 THR 25 HG21 THR 25 3.017 -8.358 3.514 201 HG22 THR 25 HG22 THR 25 1.313 -8.484 3.949 202 HG23 THR 25 HG23 THR 25 1.873 -9.092 2.392 203 H ALA 26 H ALA 26 3.637 -7.723 5.785 204 HA ALA 26 HA ALA 26 6.250 -7.826 4.452 205 HB1 ALA 26 HB1 ALA 26 4.363 -5.882 4.710 206 HB2 ALA 26 HB2 ALA 26 5.529 -5.392 5.940 207 HB3 ALA 26 HB3 ALA 26 6.046 -5.594 4.266 208 H GLU 27 H GLU 27 4.958 -7.897 7.700 209 HA GLU 27 HA GLU 27 7.111 -6.963 9.210 210 HB2 GLU 27 HB2 GLU 27 4.860 -7.827 10.020 211 HB3 GLU 27 HB3 GLU 27 5.531 -9.448 9.906 212 HG2 GLU 27 HG2 GLU 27 6.165 -9.164 12.014 213 HG3 GLU 27 HG3 GLU 27 7.429 -8.118 11.368 214 H LYS 28 H LYS 28 6.567 -10.355 8.162 215 HA LYS 28 HA LYS 28 8.933 -11.457 9.158 216 HB2 LYS 28 HB2 LYS 28 7.112 -12.088 6.887 217 HB3 LYS 28 HB3 LYS 28 8.681 -12.881 6.891 218 HG2 LYS 28 HG2 LYS 28 7.998 -14.337 8.411 219 HG3 LYS 28 HG3 LYS 28 7.506 -13.038 9.500 220 HD2 LYS 28 HD2 LYS 28 5.373 -12.859 8.259 221 HD3 LYS 28 HD3 LYS 28 5.868 -14.229 7.263 222 HE2 LYS 28 HE2 LYS 28 5.566 -14.299 10.263 223 HE3 LYS 28 HE3 LYS 28 4.344 -14.851 9.118 224 HZ1 LYS 28 HZ1 LYS 28 7.097 -15.941 9.148 225 HZ2 LYS 28 HZ2 LYS 28 5.728 -16.585 8.391 226 HZ3 LYS 28 HZ3 LYS 28 5.850 -16.606 10.079 227 H ALA 29 H ALA 29 8.397 -9.851 6.008 228 HA ALA 29 HA ALA 29 11.025 -10.257 4.997 229 HB1 ALA 29 HB1 ALA 29 10.455 -8.169 3.618 230 HB2 ALA 29 HB2 ALA 29 9.405 -9.576 3.450 231 HB3 ALA 29 HB3 ALA 29 8.895 -8.207 4.438 232 H PHE 30 H PHE 30 9.644 -7.733 7.079 233 HA PHE 30 HA PHE 30 12.043 -6.096 7.007 234 HB2 PHE 30 HB2 PHE 30 9.508 -6.106 8.627 235 HB3 PHE 30 HB3 PHE 30 10.859 -5.086 9.110 236 HD1 PHE 30 HD2 PHE 30 11.918 -4.172 6.556 237 HD2 PHE 30 HD1 PHE 30 7.884 -4.685 7.812 238 HE1 PHE 30 HE2 PHE 30 11.201 -2.460 4.941 239 HE2 PHE 30 HE1 PHE 30 7.160 -2.975 6.199 240 HZ PHE 30 HZ PHE 30 8.819 -1.858 4.761 241 H LYS 31 H LYS 31 10.792 -8.700 9.019 242 HA LYS 31 HA LYS 31 12.722 -8.300 11.152 243 HB2 LYS 31 HB2 LYS 31 10.990 -10.678 10.417 244 HB3 LYS 31 HB3 LYS 31 11.955 -10.564 11.883 245 HG2 LYS 31 HG2 LYS 31 10.318 -8.233 11.641 246 HG3 LYS 31 HG3 LYS 31 9.323 -9.680 11.469 247 HD2 LYS 31 HD2 LYS 31 10.884 -10.391 13.562 248 HD3 LYS 31 HD3 LYS 31 10.782 -8.647 13.810 249 HE2 LYS 31 HE2 LYS 31 8.777 -8.940 14.720 250 HE3 LYS 31 HE3 LYS 31 8.187 -9.502 13.156 251 HZ1 LYS 31 HZ1 LYS 31 8.376 -10.964 15.486 252 HZ2 LYS 31 HZ2 LYS 31 9.606 -11.562 14.491 253 HZ3 LYS 31 HZ3 LYS 31 8.006 -11.552 13.943 254 H GLN 32 H GLN 32 12.458 -10.469 8.329 255 HA GLN 32 HA GLN 32 14.661 -12.119 8.820 256 HB2 GLN 32 HB2 GLN 32 13.179 -12.512 6.955 257 HB3 GLN 32 HB3 GLN 32 13.640 -10.991 6.201 258 HG2 GLN 32 HG2 GLN 32 15.263 -12.008 5.106 259 HG3 GLN 32 HG3 GLN 32 15.995 -12.513 6.628 260 HE21 GLN 32 HE21 GLN 32 16.325 -14.602 6.751 261 HE22 GLN 32 HE22 GLN 32 15.357 -15.838 6.031 262 H TYR 33 H TYR 33 14.652 -9.043 6.966 263 HA TYR 33 HA TYR 33 17.407 -8.927 6.449 264 HB2 TYR 33 HB2 TYR 33 15.695 -7.387 5.511 265 HB3 TYR 33 HB3 TYR 33 15.581 -6.585 7.073 266 HD1 TYR 33 HD2 TYR 33 17.384 -5.152 7.873 267 HD2 TYR 33 HD1 TYR 33 17.615 -7.048 4.071 268 HE1 TYR 33 HE2 TYR 33 19.225 -3.649 7.242 269 HE2 TYR 33 HE1 TYR 33 19.458 -5.551 3.430 270 HH TYR 33 HH TYR 33 20.534 -3.612 3.985 271 H ALA 34 H ALA 34 15.629 -8.212 9.398 272 HA ALA 34 HA ALA 34 17.616 -6.716 10.762 273 HB1 ALA 34 HB1 ALA 34 15.101 -7.627 11.345 274 HB2 ALA 34 HB2 ALA 34 16.100 -8.578 12.444 275 HB3 ALA 34 HB3 ALA 34 16.181 -6.817 12.481 276 H ASN 35 H ASN 35 16.952 -10.246 10.876 277 HA ASN 35 HA ASN 35 19.160 -10.875 12.553 278 HB2 ASN 35 HB2 ASN 35 17.321 -12.366 10.761 279 HB3 ASN 35 HB3 ASN 35 18.851 -13.159 11.123 280 HD21 ASN 35 HD21 ASN 35 17.453 -14.735 12.163 281 HD22 ASN 35 HD22 ASN 35 16.945 -14.458 13.791 282 H ASP 36 H ASP 36 18.866 -10.540 9.039 283 HA ASP 36 HA ASP 36 21.253 -11.712 8.201 284 HB2 ASP 36 HB2 ASP 36 20.046 -9.121 7.180 285 HB3 ASP 36 HB3 ASP 36 21.190 -10.140 6.310 286 H ASN 37 H ASN 37 20.744 -8.558 9.733 287 HA ASN 37 HA ASN 37 23.710 -8.176 9.712 288 HB2 ASN 37 HB2 ASN 37 21.590 -6.064 10.196 289 HB3 ASN 37 HB3 ASN 37 23.312 -5.808 9.932 290 HD21 ASN 37 HD21 ASN 37 23.766 -7.500 7.810 291 HD22 ASN 37 HD22 ASN 37 22.912 -6.918 6.425 292 H GLY 38 H GLY 38 21.979 -9.817 11.562 293 HA2 GLY 38 HA2 GLY 38 21.763 -10.154 13.846 294 HA3 GLY 38 HA3 GLY 38 23.346 -9.397 13.947 295 H VAL 39 H VAL 39 20.090 -8.155 13.133 296 HA VAL 39 HA VAL 39 20.547 -6.049 15.205 297 HB VAL 39 HB VAL 39 18.540 -5.976 12.941 298 HG11 VAL 39 HG11 VAL 39 19.547 -3.462 13.985 299 HG12 VAL 39 HG12 VAL 39 17.884 -4.008 13.761 300 HG13 VAL 39 HG13 VAL 39 18.764 -4.438 15.228 301 HG21 VAL 39 HG21 VAL 39 21.296 -4.752 13.036 302 HG22 VAL 39 HG22 VAL 39 20.816 -6.126 12.040 303 HG23 VAL 39 HG23 VAL 39 20.106 -4.537 11.752 304 H ASP 40 H ASP 40 19.472 -6.236 17.039 305 HA ASP 40 HA ASP 40 16.773 -7.517 16.936 306 HB2 ASP 40 HB2 ASP 40 18.876 -8.787 18.029 307 HB3 ASP 40 HB3 ASP 40 18.400 -7.811 19.416 308 H GLY 41 H GLY 41 15.274 -6.082 17.448 309 HA2 GLY 41 HA2 GLY 41 15.699 -4.397 19.832 310 HA3 GLY 41 HA3 GLY 41 15.486 -3.540 18.312 311 H VAL 42 H VAL 42 13.599 -2.547 19.168 312 HA VAL 42 HA VAL 42 11.299 -4.427 19.485 313 HB VAL 42 HB VAL 42 10.129 -2.556 20.565 314 HG11 VAL 42 HG11 VAL 42 11.497 -2.447 22.615 315 HG12 VAL 42 HG12 VAL 42 11.382 -4.083 21.964 316 HG13 VAL 42 HG13 VAL 42 12.852 -3.138 21.723 317 HG21 VAL 42 HG21 VAL 42 12.365 -1.049 19.487 318 HG22 VAL 42 HG22 VAL 42 10.785 -0.489 20.035 319 HG23 VAL 42 HG23 VAL 42 12.091 -0.718 21.197 320 H TRP 43 H TRP 43 9.700 -4.478 18.045 321 HA TRP 43 HA TRP 43 9.885 -2.587 15.767 322 HB2 TRP 43 HB2 TRP 43 8.132 -5.044 16.068 323 HB3 TRP 43 HB3 TRP 43 8.457 -4.148 14.587 324 HD1 TRP 43 HD1 TRP 43 10.090 -6.636 16.999 325 HE1 TRP 43 HE1 TRP 43 12.122 -7.698 15.829 326 HE3 TRP 43 HE3 TRP 43 10.198 -3.750 12.780 327 HZ2 TRP 43 HZ2 TRP 43 13.578 -7.356 13.435 328 HZ3 TRP 43 HZ3 TRP 43 11.942 -4.182 11.100 329 HH2 TRP 43 HH2 TRP 43 13.597 -5.947 11.422 330 H THR 44 H THR 44 8.475 -1.003 15.384 331 HA THR 44 HA THR 44 5.843 -1.095 16.767 332 HB THR 44 HB THR 44 6.091 1.332 17.364 333 HG1 THR 44 HG1 THR 44 8.132 1.345 15.884 334 HG21 THR 44 HG21 THR 44 7.810 -0.785 18.612 335 HG22 THR 44 HG22 THR 44 6.294 -0.097 19.194 336 HG23 THR 44 HG23 THR 44 7.778 0.852 19.266 337 H TYR 45 H TYR 45 4.345 -0.895 15.257 338 HA TYR 45 HA TYR 45 4.780 1.150 13.134 339 HB2 TYR 45 HB2 TYR 45 4.455 -0.292 11.393 340 HB3 TYR 45 HB3 TYR 45 5.158 -1.438 12.529 341 HD1 TYR 45 HD2 TYR 45 3.450 -2.715 14.046 342 HD2 TYR 45 HD1 TYR 45 2.422 -0.788 10.395 343 HE1 TYR 45 HE2 TYR 45 1.441 -4.123 13.875 344 HE2 TYR 45 HE1 TYR 45 0.409 -2.189 10.214 345 HH TYR 45 HH TYR 45 -0.944 -3.620 11.329 346 H ASP 46 H ASP 46 3.000 2.287 12.532 347 HA ASP 46 HA ASP 46 0.507 1.621 14.041 348 HB2 ASP 46 HB2 ASP 46 1.259 3.751 14.745 349 HB3 ASP 46 HB3 ASP 46 1.684 4.242 13.108 350 H ASP 47 H ASP 47 -1.340 1.223 12.993 351 HA ASP 47 HA ASP 47 -1.383 0.538 10.284 352 HB2 ASP 47 HB2 ASP 47 -3.203 -0.268 11.466 353 HB3 ASP 47 HB3 ASP 47 -3.498 1.268 12.277 354 H ALA 48 H ALA 48 -2.447 3.612 11.785 355 HA ALA 48 HA ALA 48 -3.374 4.928 9.513 356 HB1 ALA 48 HB1 ALA 48 -2.765 5.628 12.132 357 HB2 ALA 48 HB2 ALA 48 -1.765 6.703 11.154 358 HB3 ALA 48 HB3 ALA 48 -3.511 6.659 10.910 359 H THR 49 H THR 49 -0.003 4.660 10.667 360 HA THR 49 HA THR 49 0.886 5.938 8.125 361 HB THR 49 HB THR 49 1.751 6.801 10.337 362 HG1 THR 49 HG1 THR 49 3.059 7.371 8.713 363 HG21 THR 49 HG21 THR 49 3.823 4.816 10.615 364 HG22 THR 49 HG22 THR 49 2.232 4.084 10.821 365 HG23 THR 49 HG23 THR 49 2.712 5.449 11.828 366 H LYS 50 H LYS 50 3.349 4.985 7.729 367 HA LYS 50 HA LYS 50 3.142 2.020 7.698 368 HB2 LYS 50 HB2 LYS 50 3.757 3.671 5.231 369 HB3 LYS 50 HB3 LYS 50 3.707 1.916 5.329 370 HG2 LYS 50 HG2 LYS 50 1.585 2.017 4.713 371 HG3 LYS 50 HG3 LYS 50 1.224 2.767 6.270 372 HD2 LYS 50 HD2 LYS 50 2.246 4.462 4.036 373 HD3 LYS 50 HD3 LYS 50 0.556 3.951 4.027 374 HE2 LYS 50 HE2 LYS 50 0.449 4.836 6.414 375 HE3 LYS 50 HE3 LYS 50 2.000 5.606 6.081 376 HZ1 LYS 50 HZ1 LYS 50 -0.555 6.071 4.642 377 HZ2 LYS 50 HZ2 LYS 50 0.932 6.728 4.179 378 HZ3 LYS 50 HZ3 LYS 50 0.245 7.157 5.663 379 H THR 51 H THR 51 4.731 3.793 9.292 380 HA THR 51 HA THR 51 7.441 3.335 8.116 381 HB THR 51 HB THR 51 6.511 5.277 10.246 382 HG1 THR 51 HG1 THR 51 6.667 6.705 8.676 383 HG21 THR 51 HG21 THR 51 9.201 4.223 9.620 384 HG22 THR 51 HG22 THR 51 8.572 4.909 11.118 385 HG23 THR 51 HG23 THR 51 9.075 5.972 9.804 386 H PHE 52 H PHE 52 8.931 2.106 9.140 387 HA PHE 52 HA PHE 52 8.084 0.929 11.758 388 HB2 PHE 52 HB2 PHE 52 9.400 -0.390 9.374 389 HB3 PHE 52 HB3 PHE 52 9.408 -1.113 10.980 390 HD1 PHE 52 HD2 PHE 52 6.938 0.454 8.657 391 HD2 PHE 52 HD1 PHE 52 7.812 -2.698 11.381 392 HE1 PHE 52 HE2 PHE 52 4.727 -0.533 8.219 393 HE2 PHE 52 HE1 PHE 52 5.602 -3.690 10.946 394 HZ PHE 52 HZ PHE 52 4.056 -2.607 9.365 395 H THR 53 H THR 53 9.506 0.979 13.387 396 HA THR 53 HA THR 53 12.306 1.788 12.711 397 HB THR 53 HB THR 53 10.726 2.711 15.129 398 HG1 THR 53 HG1 THR 53 10.317 4.513 14.030 399 HG21 THR 53 HG21 THR 53 12.785 3.052 15.954 400 HG22 THR 53 HG22 THR 53 12.886 4.379 14.796 401 HG23 THR 53 HG23 THR 53 13.550 2.798 14.387 402 H VAL 54 H VAL 54 13.940 0.766 13.755 403 HA VAL 54 HA VAL 54 13.148 -1.182 15.882 404 HB VAL 54 HB VAL 54 13.474 -2.469 13.864 405 HG11 VAL 54 HG11 VAL 54 16.250 -2.077 13.338 406 HG12 VAL 54 HG12 VAL 54 14.875 -1.847 12.258 407 HG13 VAL 54 HG13 VAL 54 15.430 -0.518 13.276 408 HG21 VAL 54 HG21 VAL 54 16.046 -2.857 15.341 409 HG22 VAL 54 HG22 VAL 54 14.505 -3.148 16.147 410 HG23 VAL 54 HG23 VAL 54 14.931 -4.064 14.702 411 H THR 55 H THR 55 14.153 -0.749 17.713 412 HA THR 55 HA THR 55 16.888 0.454 17.535 413 HB THR 55 HB THR 55 14.827 0.858 19.724 414 HG1 THR 55 HG1 THR 55 14.300 2.650 18.697 415 HG21 THR 55 HG21 THR 55 16.473 1.664 20.991 416 HG22 THR 55 HG22 THR 55 16.974 2.758 19.701 417 HG23 THR 55 HG23 THR 55 17.632 1.123 19.777 418 H GLU 56 H GLU 56 18.513 -0.623 18.446 419 HA GLU 56 HA GLU 56 17.934 -3.175 19.744 420 HB2 GLU 56 HB2 GLU 56 20.437 -1.705 18.945 421 HB3 GLU 56 HB3 GLU 56 20.528 -3.117 19.988 422 HG2 GLU 56 HG2 GLU 56 19.795 -4.553 18.336 423 HG3 GLU 56 HG3 GLU 56 19.029 -3.262 17.412 Start of MODEL 15 1 H1 MET 1 H MET 1 0.956 1.333 0.089 2 HA MET 1 HA MET 1 1.617 -1.368 -0.686 3 HB2 MET 1 HB2 MET 1 1.150 1.163 -2.018 4 HB3 MET 1 HB3 MET 1 2.592 0.374 -2.642 5 HG2 MET 1 HG2 MET 1 1.254 -1.672 -3.019 6 HG3 MET 1 HG3 MET 1 -0.180 -0.783 -2.511 7 HE1 MET 1 HE1 MET 1 -1.474 -0.104 -5.863 8 HE2 MET 1 HE2 MET 1 -1.067 -1.703 -5.238 9 HE3 MET 1 HE3 MET 1 -1.716 -0.471 -4.155 10 H GLN 2 H GLN 2 3.300 1.606 0.201 11 HA GLN 2 HA GLN 2 5.844 0.033 0.157 12 HB2 GLN 2 HB2 GLN 2 5.562 3.005 -0.366 13 HB3 GLN 2 HB3 GLN 2 7.043 2.059 -0.439 14 HG2 GLN 2 HG2 GLN 2 6.394 0.975 -2.402 15 HG3 GLN 2 HG3 GLN 2 4.706 1.442 -2.206 16 HE21 GLN 2 HE21 GLN 2 5.389 1.975 -4.562 17 HE22 GLN 2 HE22 GLN 2 5.857 3.617 -4.828 18 H TYR 3 H TYR 3 6.606 -0.308 2.120 19 HA TYR 3 HA TYR 3 5.913 1.684 4.238 20 HB2 TYR 3 HB2 TYR 3 6.876 -1.146 4.693 21 HB3 TYR 3 HB3 TYR 3 6.074 -0.073 5.834 22 HD1 TYR 3 HD1 TYR 3 3.809 0.905 4.203 23 HD2 TYR 3 HD2 TYR 3 5.464 -2.999 4.559 24 HE1 TYR 3 HE1 TYR 3 1.634 -0.066 3.592 25 HE2 TYR 3 HE2 TYR 3 3.293 -3.981 3.947 26 HH TYR 3 HH TYR 3 0.662 -2.920 4.186 27 H LYS 4 H LYS 4 7.528 2.024 5.946 28 HA LYS 4 HA LYS 4 10.296 1.851 4.817 29 HB2 LYS 4 HB2 LYS 4 8.847 4.147 5.408 30 HB3 LYS 4 HB3 LYS 4 9.873 3.939 6.821 31 HG2 LYS 4 HG2 LYS 4 11.849 3.923 5.434 32 HG3 LYS 4 HG3 LYS 4 10.858 4.006 3.976 33 HD2 LYS 4 HD2 LYS 4 11.517 6.213 4.288 34 HD3 LYS 4 HD3 LYS 4 9.912 6.172 5.022 35 HE2 LYS 4 HE2 LYS 4 11.918 5.447 6.951 36 HE3 LYS 4 HE3 LYS 4 12.319 6.992 6.204 37 HZ1 LYS 4 HZ1 LYS 4 9.665 6.365 7.373 38 HZ2 LYS 4 HZ2 LYS 4 10.213 7.871 6.835 39 HZ3 LYS 4 HZ3 LYS 4 10.897 7.166 8.212 40 H LEU 5 H LEU 5 12.026 1.532 6.272 41 HA LEU 5 HA LEU 5 11.263 0.764 9.039 42 HB2 LEU 5 HB2 LEU 5 11.180 -1.353 8.101 43 HB3 LEU 5 HB3 LEU 5 12.472 -1.012 6.951 44 HG LEU 5 HG LEU 5 14.138 -1.243 8.660 45 HD11 LEU 5 HD11 LEU 5 12.954 -2.180 10.932 46 HD12 LEU 5 HD12 LEU 5 11.841 -0.906 10.437 47 HD13 LEU 5 HD13 LEU 5 13.545 -0.535 10.697 48 HD21 LEU 5 HD21 LEU 5 13.534 -3.315 7.675 49 HD22 LEU 5 HD22 LEU 5 12.080 -3.441 8.665 50 HD23 LEU 5 HD23 LEU 5 13.672 -3.599 9.410 51 H VAL 6 H VAL 6 12.461 2.050 10.261 52 HA VAL 6 HA VAL 6 15.196 2.751 9.336 53 HB VAL 6 HB VAL 6 13.573 3.842 11.652 54 HG11 VAL 6 HG11 VAL 6 15.323 5.681 11.522 55 HG12 VAL 6 HG12 VAL 6 15.841 4.141 12.210 56 HG13 VAL 6 HG13 VAL 6 16.277 4.558 10.553 57 HG21 VAL 6 HG21 VAL 6 13.235 5.799 10.276 58 HG22 VAL 6 HG22 VAL 6 14.200 5.094 8.979 59 HG23 VAL 6 HG23 VAL 6 12.653 4.372 9.419 60 H ILE 7 H ILE 7 17.047 2.377 10.522 61 HA ILE 7 HA ILE 7 16.707 0.364 12.709 62 HB ILE 7 HB ILE 7 19.021 0.761 10.797 63 HG12 ILE 7 HG12 ILE 7 17.468 -1.776 11.100 64 HG13 ILE 7 HG13 ILE 7 16.760 -0.460 10.171 65 HG21 ILE 7 HG21 ILE 7 19.878 0.150 12.964 66 HG22 ILE 7 HG22 ILE 7 18.699 -1.154 13.102 67 HG23 ILE 7 HG23 ILE 7 19.977 -1.245 11.890 68 HD11 ILE 7 HD11 ILE 7 18.927 -2.286 9.492 69 HD12 ILE 7 HD12 ILE 7 17.850 -1.356 8.449 70 HD13 ILE 7 HD13 ILE 7 19.282 -0.595 9.141 71 H ASN 8 H ASN 8 16.716 1.546 14.544 72 HA ASN 8 HA ASN 8 18.815 3.624 14.854 73 HB2 ASN 8 HB2 ASN 8 16.280 2.943 16.331 74 HB3 ASN 8 HB3 ASN 8 17.516 3.933 17.101 75 HD21 ASN 8 HD21 ASN 8 18.410 5.602 15.323 76 HD22 ASN 8 HD22 ASN 8 17.156 6.561 14.620 77 H GLY 9 H GLY 9 19.957 1.175 14.697 78 HA2 GLY 9 HA2 GLY 9 20.208 -0.078 17.298 79 HA3 GLY 9 HA3 GLY 9 21.205 -0.386 15.884 80 H LYS 10 H LYS 10 22.868 -0.566 17.625 81 HA LYS 10 HA LYS 10 23.715 1.990 18.802 82 HB2 LYS 10 HB2 LYS 10 24.227 -0.828 19.244 83 HB3 LYS 10 HB3 LYS 10 25.738 0.068 19.161 84 HG2 LYS 10 HG2 LYS 10 23.447 0.909 20.911 85 HG3 LYS 10 HG3 LYS 10 24.714 -0.196 21.449 86 HD2 LYS 10 HD2 LYS 10 26.104 1.498 21.838 87 HD3 LYS 10 HD3 LYS 10 25.872 2.125 20.204 88 HE2 LYS 10 HE2 LYS 10 23.714 2.573 22.199 89 HE3 LYS 10 HE3 LYS 10 25.194 3.519 22.353 90 HZ1 LYS 10 HZ1 LYS 10 23.835 4.804 21.002 91 HZ2 LYS 10 HZ2 LYS 10 23.258 3.478 20.125 92 HZ3 LYS 10 HZ3 LYS 10 24.842 4.024 19.889 93 H THR 11 H THR 11 24.851 -0.315 16.330 94 HA THR 11 HA THR 11 26.802 1.783 15.459 95 HB THR 11 HB THR 11 28.202 0.017 14.552 96 HG1 THR 11 HG1 THR 11 27.119 -1.734 14.018 97 HG21 THR 11 HG21 THR 11 27.386 -0.659 17.382 98 HG22 THR 11 HG22 THR 11 28.496 0.633 16.923 99 HG23 THR 11 HG23 THR 11 28.925 -1.050 16.615 100 H LEU 12 H LEU 12 24.815 -0.963 14.277 101 HA LEU 12 HA LEU 12 24.945 -0.035 11.532 102 HB2 LEU 12 HB2 LEU 12 24.649 -2.380 12.024 103 HB3 LEU 12 HB3 LEU 12 23.167 -2.049 12.917 104 HG LEU 12 HG LEU 12 21.996 -1.501 10.902 105 HD11 LEU 12 HD11 LEU 12 23.636 -2.104 8.779 106 HD12 LEU 12 HD12 LEU 12 24.687 -1.176 9.849 107 HD13 LEU 12 HD13 LEU 12 23.161 -0.486 9.297 108 HD21 LEU 12 HD21 LEU 12 23.397 -3.861 9.862 109 HD22 LEU 12 HD22 LEU 12 21.694 -3.631 10.256 110 HD23 LEU 12 HD23 LEU 12 22.853 -3.999 11.534 111 H LYS 13 H LYS 13 23.830 1.535 10.614 112 HA LYS 13 HA LYS 13 21.094 2.106 11.635 113 HB2 LYS 13 HB2 LYS 13 23.016 4.346 11.005 114 HB3 LYS 13 HB3 LYS 13 21.468 4.433 11.835 115 HG2 LYS 13 HG2 LYS 13 22.538 3.031 13.661 116 HG3 LYS 13 HG3 LYS 13 24.078 3.375 12.870 117 HD2 LYS 13 HD2 LYS 13 24.115 5.501 13.605 118 HD3 LYS 13 HD3 LYS 13 22.389 5.731 13.318 119 HE2 LYS 13 HE2 LYS 13 21.802 4.887 15.396 120 HE3 LYS 13 HE3 LYS 13 23.321 4.012 15.581 121 HZ1 LYS 13 HZ1 LYS 13 22.703 6.467 16.640 122 HZ2 LYS 13 HZ2 LYS 13 23.758 6.815 15.365 123 HZ3 LYS 13 HZ3 LYS 13 24.233 5.748 16.588 124 H GLY 14 H GLY 14 19.668 3.007 10.127 125 HA2 GLY 14 HA2 GLY 14 20.119 4.109 7.676 126 HA3 GLY 14 HA3 GLY 14 20.418 2.406 7.357 127 H GLU 15 H GLU 15 18.551 3.166 5.828 128 HA GLU 15 HA GLU 15 16.049 2.278 7.186 129 HB2 GLU 15 HB2 GLU 15 15.906 4.352 5.024 130 HB3 GLU 15 HB3 GLU 15 14.761 3.998 6.310 131 HG2 GLU 15 HG2 GLU 15 16.293 4.986 7.941 132 HG3 GLU 15 HG3 GLU 15 17.427 5.355 6.644 133 H THR 16 H THR 16 14.364 1.556 5.620 134 HA THR 16 HA THR 16 15.348 0.777 2.964 135 HB THR 16 HB THR 16 16.205 -1.018 4.503 136 HG1 THR 16 HG1 THR 16 15.616 -1.381 2.250 137 HG21 THR 16 HG21 THR 16 14.265 -0.959 6.069 138 HG22 THR 16 HG22 THR 16 14.668 -2.580 5.502 139 HG23 THR 16 HG23 THR 16 13.287 -1.724 4.817 140 H THR 17 H THR 17 13.597 -0.813 1.961 141 HA THR 17 HA THR 17 10.887 -0.087 2.913 142 HB THR 17 HB THR 17 10.148 0.769 0.789 143 HG1 THR 17 HG1 THR 17 12.749 0.741 -0.284 144 HG21 THR 17 HG21 THR 17 11.231 2.369 2.335 145 HG22 THR 17 HG22 THR 17 11.399 2.842 0.644 146 HG23 THR 17 HG23 THR 17 12.760 2.111 1.495 147 H THR 18 H THR 18 9.176 -1.183 1.525 148 HA THR 18 HA THR 18 10.056 -3.548 0.053 149 HB THR 18 HB THR 18 10.220 -4.177 2.532 150 HG1 THR 18 HG1 THR 18 9.965 -5.677 0.726 151 HG21 THR 18 HG21 THR 18 8.294 -4.519 3.800 152 HG22 THR 18 HG22 THR 18 7.238 -4.469 2.387 153 HG23 THR 18 HG23 THR 18 7.970 -2.984 2.995 154 H LYS 19 H LYS 19 7.836 -5.090 0.059 155 HA LYS 19 HA LYS 19 5.499 -3.326 -0.346 156 HB2 LYS 19 HB2 LYS 19 7.000 -4.698 -2.542 157 HB3 LYS 19 HB3 LYS 19 5.246 -4.627 -2.647 158 HG2 LYS 19 HG2 LYS 19 5.350 -2.181 -2.452 159 HG3 LYS 19 HG3 LYS 19 7.112 -2.275 -2.404 160 HD2 LYS 19 HD2 LYS 19 5.349 -3.198 -4.675 161 HD3 LYS 19 HD3 LYS 19 6.309 -1.717 -4.647 162 HE2 LYS 19 HE2 LYS 19 7.789 -3.044 -5.739 163 HE3 LYS 19 HE3 LYS 19 8.239 -3.473 -4.089 164 HZ1 LYS 19 HZ1 LYS 19 7.889 -5.552 -4.786 165 HZ2 LYS 19 HZ2 LYS 19 6.976 -5.075 -6.127 166 HZ3 LYS 19 HZ3 LYS 19 6.244 -5.201 -4.607 167 H ALA 20 H ALA 20 4.017 -4.302 0.858 168 HA ALA 20 HA ALA 20 3.575 -7.209 0.375 169 HB1 ALA 20 HB1 ALA 20 3.742 -7.823 2.550 170 HB2 ALA 20 HB2 ALA 20 4.846 -6.448 2.611 171 HB3 ALA 20 HB3 ALA 20 3.179 -6.266 3.156 172 H VAL 21 H VAL 21 1.433 -7.959 0.933 173 HA VAL 21 HA VAL 21 -0.564 -5.904 0.311 174 HB VAL 21 HB VAL 21 -2.163 -7.834 0.378 175 HG11 VAL 21 HG11 VAL 21 0.168 -7.586 -1.411 176 HG12 VAL 21 HG12 VAL 21 -0.743 -9.093 -1.529 177 HG13 VAL 21 HG13 VAL 21 -1.556 -7.547 -1.778 178 HG21 VAL 21 HG21 VAL 21 -0.226 -9.056 1.896 179 HG22 VAL 21 HG22 VAL 21 -1.616 -9.856 1.163 180 HG23 VAL 21 HG23 VAL 21 -0.061 -9.853 0.331 181 H ASP 22 H ASP 22 0.952 -6.673 3.083 182 HA ASP 22 HA ASP 22 -0.998 -5.407 4.740 183 HB2 ASP 22 HB2 ASP 22 -1.283 -7.563 6.232 184 HB3 ASP 22 HB3 ASP 22 -2.358 -7.275 4.867 185 H ALA 23 H ALA 23 -0.273 -5.070 6.887 186 HA ALA 23 HA ALA 23 2.482 -4.713 7.178 187 HB1 ALA 23 HB1 ALA 23 1.931 -3.822 9.157 188 HB2 ALA 23 HB2 ALA 23 0.263 -4.141 8.678 189 HB3 ALA 23 HB3 ALA 23 1.119 -5.289 9.707 190 H GLU 24 H GLU 24 0.559 -7.595 7.689 191 HA GLU 24 HA GLU 24 2.460 -9.003 9.318 192 HB2 GLU 24 HB2 GLU 24 0.528 -10.301 7.394 193 HB3 GLU 24 HB3 GLU 24 1.130 -10.925 8.924 194 HG2 GLU 24 HG2 GLU 24 -0.071 -8.813 9.902 195 HG3 GLU 24 HG3 GLU 24 -0.991 -8.907 8.401 196 H THR 25 H THR 25 1.674 -9.331 5.827 197 HA THR 25 HA THR 25 3.794 -11.104 5.219 198 HB THR 25 HB THR 25 2.441 -9.046 3.451 199 HG1 THR 25 HG1 THR 25 1.964 -11.775 4.059 200 HG21 THR 25 HG21 THR 25 4.564 -9.671 2.464 201 HG22 THR 25 HG22 THR 25 3.253 -10.445 1.574 202 HG23 THR 25 HG23 THR 25 4.213 -11.380 2.720 203 H ALA 26 H ALA 26 3.702 -7.579 5.463 204 HA ALA 26 HA ALA 26 6.361 -7.246 4.313 205 HB1 ALA 26 HB1 ALA 26 5.668 -4.979 5.852 206 HB2 ALA 26 HB2 ALA 26 5.587 -5.175 4.101 207 HB3 ALA 26 HB3 ALA 26 4.184 -5.561 5.098 208 H GLU 27 H GLU 27 4.979 -7.708 7.511 209 HA GLU 27 HA GLU 27 7.098 -6.744 9.100 210 HB2 GLU 27 HB2 GLU 27 4.953 -7.461 10.025 211 HB3 GLU 27 HB3 GLU 27 5.285 -9.127 9.572 212 HG2 GLU 27 HG2 GLU 27 6.184 -9.437 11.564 213 HG3 GLU 27 HG3 GLU 27 7.468 -8.314 11.119 214 H LYS 28 H LYS 28 6.527 -10.162 8.142 215 HA LYS 28 HA LYS 28 8.917 -11.231 9.090 216 HB2 LYS 28 HB2 LYS 28 6.949 -11.943 7.020 217 HB3 LYS 28 HB3 LYS 28 8.548 -12.620 6.741 218 HG2 LYS 28 HG2 LYS 28 8.461 -13.956 8.588 219 HG3 LYS 28 HG3 LYS 28 7.372 -12.871 9.457 220 HD2 LYS 28 HD2 LYS 28 5.514 -13.800 8.554 221 HD3 LYS 28 HD3 LYS 28 6.293 -14.106 7.000 222 HE2 LYS 28 HE2 LYS 28 7.098 -16.142 7.651 223 HE3 LYS 28 HE3 LYS 28 7.213 -15.676 9.348 224 HZ1 LYS 28 HZ1 LYS 28 4.571 -15.960 8.080 225 HZ2 LYS 28 HZ2 LYS 28 4.997 -16.117 9.709 226 HZ3 LYS 28 HZ3 LYS 28 5.401 -17.337 8.608 227 H ALA 29 H ALA 29 8.312 -9.679 5.928 228 HA ALA 29 HA ALA 29 10.926 -10.125 4.873 229 HB1 ALA 29 HB1 ALA 29 8.922 -7.938 4.281 230 HB2 ALA 29 HB2 ALA 29 10.359 -8.282 3.317 231 HB3 ALA 29 HB3 ALA 29 9.079 -9.487 3.451 232 H PHE 30 H PHE 30 9.582 -7.606 6.964 233 HA PHE 30 HA PHE 30 11.959 -5.930 6.771 234 HB2 PHE 30 HB2 PHE 30 9.420 -5.900 8.363 235 HB3 PHE 30 HB3 PHE 30 10.776 -4.923 8.917 236 HD1 PHE 30 HD1 PHE 30 11.957 -3.918 6.489 237 HD2 PHE 30 HD2 PHE 30 7.851 -4.483 7.459 238 HE1 PHE 30 HE1 PHE 30 11.340 -2.154 4.889 239 HE2 PHE 30 HE2 PHE 30 7.227 -2.720 5.860 240 HZ PHE 30 HZ PHE 30 8.972 -1.554 4.571 241 H LYS 31 H LYS 31 10.824 -8.551 8.797 242 HA LYS 31 HA LYS 31 12.795 -8.054 10.898 243 HB2 LYS 31 HB2 LYS 31 11.027 -10.450 10.322 244 HB3 LYS 31 HB3 LYS 31 12.018 -10.255 11.762 245 HG2 LYS 31 HG2 LYS 31 10.420 -7.929 11.480 246 HG3 LYS 31 HG3 LYS 31 9.379 -9.342 11.291 247 HD2 LYS 31 HD2 LYS 31 11.270 -9.663 13.468 248 HD3 LYS 31 HD3 LYS 31 10.251 -8.237 13.680 249 HE2 LYS 31 HE2 LYS 31 8.263 -9.545 13.523 250 HE3 LYS 31 HE3 LYS 31 9.171 -10.970 13.018 251 HZ1 LYS 31 HZ1 LYS 31 10.250 -10.181 15.437 252 HZ2 LYS 31 HZ2 LYS 31 9.281 -11.535 15.143 253 HZ3 LYS 31 HZ3 LYS 31 8.573 -10.080 15.636 254 H GLN 32 H GLN 32 12.419 -10.278 8.139 255 HA GLN 32 HA GLN 32 14.582 -11.980 8.608 256 HB2 GLN 32 HB2 GLN 32 12.901 -12.087 6.723 257 HB3 GLN 32 HB3 GLN 32 13.847 -10.858 5.894 258 HG2 GLN 32 HG2 GLN 32 15.817 -12.464 6.148 259 HG3 GLN 32 HG3 GLN 32 14.605 -13.681 6.545 260 HE21 GLN 32 HE21 GLN 32 16.044 -11.779 4.069 261 HE22 GLN 32 HE22 GLN 32 15.204 -12.484 2.734 262 H TYR 33 H TYR 33 14.656 -8.978 6.632 263 HA TYR 33 HA TYR 33 17.408 -8.941 6.131 264 HB2 TYR 33 HB2 TYR 33 15.887 -7.384 5.062 265 HB3 TYR 33 HB3 TYR 33 15.518 -6.617 6.603 266 HD1 TYR 33 HD1 TYR 33 18.370 -7.299 4.299 267 HD2 TYR 33 HD2 TYR 33 16.715 -4.737 7.265 268 HE1 TYR 33 HE1 TYR 33 20.205 -5.702 3.935 269 HE2 TYR 33 HE2 TYR 33 18.544 -3.132 6.908 270 HH TYR 33 HH TYR 33 20.666 -3.323 4.257 271 H ALA 34 H ALA 34 15.660 -8.124 9.063 272 HA ALA 34 HA ALA 34 17.718 -6.637 10.363 273 HB1 ALA 34 HB1 ALA 34 16.233 -6.538 12.029 274 HB2 ALA 34 HB2 ALA 34 15.144 -7.437 10.971 275 HB3 ALA 34 HB3 ALA 34 16.127 -8.294 12.158 276 H ASN 35 H ASN 35 16.882 -10.123 10.522 277 HA ASN 35 HA ASN 35 19.000 -10.824 12.295 278 HB2 ASN 35 HB2 ASN 35 17.115 -12.245 10.510 279 HB3 ASN 35 HB3 ASN 35 18.610 -13.110 10.855 280 HD21 ASN 35 HD21 ASN 35 17.171 -14.626 11.914 281 HD22 ASN 35 HD22 ASN 35 16.685 -14.328 13.545 282 H ASP 36 H ASP 36 18.822 -10.566 8.764 283 HA ASP 36 HA ASP 36 21.184 -11.861 8.034 284 HB2 ASP 36 HB2 ASP 36 19.737 -9.462 6.943 285 HB3 ASP 36 HB3 ASP 36 21.278 -9.947 6.241 286 H ASN 37 H ASN 37 20.761 -8.604 9.387 287 HA ASN 37 HA ASN 37 23.733 -8.327 9.432 288 HB2 ASN 37 HB2 ASN 37 21.538 -6.248 9.695 289 HB3 ASN 37 HB3 ASN 37 23.258 -5.907 9.855 290 HD21 ASN 37 HD21 ASN 37 20.678 -6.685 7.687 291 HD22 ASN 37 HD22 ASN 37 21.543 -6.391 6.220 292 H GLY 38 H GLY 38 21.930 -9.906 11.287 293 HA2 GLY 38 HA2 GLY 38 21.695 -10.221 13.572 294 HA3 GLY 38 HA3 GLY 38 23.308 -9.530 13.672 295 H VAL 39 H VAL 39 20.083 -8.191 12.883 296 HA VAL 39 HA VAL 39 20.627 -6.093 14.944 297 HB VAL 39 HB VAL 39 18.641 -5.910 12.670 298 HG11 VAL 39 HG11 VAL 39 18.272 -4.429 14.601 299 HG12 VAL 39 HG12 VAL 39 19.903 -3.785 14.400 300 HG13 VAL 39 HG13 VAL 39 18.693 -3.533 13.142 301 HG21 VAL 39 HG21 VAL 39 20.435 -4.347 11.700 302 HG22 VAL 39 HG22 VAL 39 21.553 -5.194 12.769 303 HG23 VAL 39 HG23 VAL 39 20.671 -6.086 11.529 304 H ASP 40 H ASP 40 19.494 -6.179 16.751 305 HA ASP 40 HA ASP 40 16.797 -7.472 16.628 306 HB2 ASP 40 HB2 ASP 40 18.715 -8.726 17.850 307 HB3 ASP 40 HB3 ASP 40 18.527 -7.496 19.097 308 H GLY 41 H GLY 41 15.208 -6.699 18.130 309 HA2 GLY 41 HA2 GLY 41 15.497 -4.607 19.940 310 HA3 GLY 41 HA3 GLY 41 15.313 -3.816 18.381 311 H VAL 42 H VAL 42 13.364 -2.858 19.142 312 HA VAL 42 HA VAL 42 11.123 -4.785 19.523 313 HB VAL 42 HB VAL 42 9.841 -2.860 20.342 314 HG11 VAL 42 HG11 VAL 42 12.517 -2.907 21.717 315 HG12 VAL 42 HG12 VAL 42 10.930 -2.619 22.434 316 HG13 VAL 42 HG13 VAL 42 11.349 -4.223 21.833 317 HG21 VAL 42 HG21 VAL 42 11.073 -0.711 20.761 318 HG22 VAL 42 HG22 VAL 42 12.351 -1.319 19.709 319 HG23 VAL 42 HG23 VAL 42 10.729 -1.057 19.066 320 H TRP 43 H TRP 43 9.592 -5.079 18.038 321 HA TRP 43 HA TRP 43 9.747 -3.376 15.602 322 HB2 TRP 43 HB2 TRP 43 8.368 -6.044 16.041 323 HB3 TRP 43 HB3 TRP 43 8.498 -5.189 14.507 324 HD1 TRP 43 HD1 TRP 43 10.432 -7.463 16.829 325 HE1 TRP 43 HE1 TRP 43 12.654 -8.126 15.712 326 HE3 TRP 43 HE3 TRP 43 10.326 -4.259 12.847 327 HZ2 TRP 43 HZ2 TRP 43 14.163 -7.387 13.443 328 HZ3 TRP 43 HZ3 TRP 43 12.197 -4.300 11.250 329 HH2 TRP 43 HH2 TRP 43 14.075 -5.832 11.544 330 H THR 44 H THR 44 8.308 -1.833 15.282 331 HA THR 44 HA THR 44 5.602 -2.190 16.506 332 HB THR 44 HB THR 44 5.587 0.358 16.711 333 HG1 THR 44 HG1 THR 44 7.538 1.397 16.666 334 HG21 THR 44 HG21 THR 44 5.805 -1.209 18.625 335 HG22 THR 44 HG22 THR 44 6.643 0.321 18.884 336 HG23 THR 44 HG23 THR 44 7.558 -1.124 18.453 337 H TYR 45 H TYR 45 3.855 -1.605 15.295 338 HA TYR 45 HA TYR 45 4.368 -0.276 12.690 339 HB2 TYR 45 HB2 TYR 45 4.170 -2.209 11.571 340 HB3 TYR 45 HB3 TYR 45 3.736 -3.088 13.033 341 HD1 TYR 45 HD2 TYR 45 2.376 -1.084 10.237 342 HD2 TYR 45 HD1 TYR 45 1.489 -3.707 13.467 343 HE1 TYR 45 HE2 TYR 45 0.076 -1.327 9.401 344 HE2 TYR 45 HE1 TYR 45 -0.813 -3.959 12.639 345 HH TYR 45 HH TYR 45 -1.946 -3.710 10.248 346 H ASP 46 H ASP 46 2.850 1.162 12.152 347 HA ASP 46 HA ASP 46 0.367 1.156 13.819 348 HB2 ASP 46 HB2 ASP 46 1.828 3.119 14.147 349 HB3 ASP 46 HB3 ASP 46 1.741 3.475 12.424 350 H ASP 47 H ASP 47 -1.623 1.792 12.843 351 HA ASP 47 HA ASP 47 -1.938 0.648 10.197 352 HB2 ASP 47 HB2 ASP 47 -3.867 0.291 11.356 353 HB3 ASP 47 HB3 ASP 47 -3.700 1.763 12.308 354 H ALA 48 H ALA 48 -2.583 3.934 11.503 355 HA ALA 48 HA ALA 48 -3.154 5.201 9.081 356 HB1 ALA 48 HB1 ALA 48 -2.841 5.999 11.681 357 HB2 ALA 48 HB2 ALA 48 -1.507 6.829 10.879 358 HB3 ALA 48 HB3 ALA 48 -3.161 7.071 10.317 359 H THR 49 H THR 49 0.046 5.338 10.717 360 HA THR 49 HA THR 49 1.276 6.023 8.118 361 HB THR 49 HB THR 49 1.926 7.268 10.163 362 HG1 THR 49 HG1 THR 49 3.768 7.484 9.160 363 HG21 THR 49 HG21 THR 49 1.767 5.515 11.823 364 HG22 THR 49 HG22 THR 49 3.413 6.147 11.803 365 HG23 THR 49 HG23 THR 49 3.051 4.603 11.031 366 H LYS 50 H LYS 50 3.532 5.003 7.751 367 HA LYS 50 HA LYS 50 3.419 2.088 8.382 368 HB2 LYS 50 HB2 LYS 50 4.068 3.232 5.650 369 HB3 LYS 50 HB3 LYS 50 4.002 1.530 6.090 370 HG2 LYS 50 HG2 LYS 50 1.887 1.514 5.440 371 HG3 LYS 50 HG3 LYS 50 1.511 2.575 6.800 372 HD2 LYS 50 HD2 LYS 50 2.571 3.730 4.253 373 HD3 LYS 50 HD3 LYS 50 0.866 3.290 4.378 374 HE2 LYS 50 HE2 LYS 50 0.856 4.673 6.528 375 HE3 LYS 50 HE3 LYS 50 2.405 5.312 5.981 376 HZ1 LYS 50 HZ1 LYS 50 0.156 6.484 5.374 377 HZ2 LYS 50 HZ2 LYS 50 0.155 5.361 4.109 378 HZ3 LYS 50 HZ3 LYS 50 1.443 6.445 4.276 379 H THR 51 H THR 51 4.955 4.047 9.699 380 HA THR 51 HA THR 51 7.690 3.528 8.610 381 HB THR 51 HB THR 51 6.655 5.690 10.458 382 HG1 THR 51 HG1 THR 51 7.309 7.023 8.776 383 HG21 THR 51 HG21 THR 51 9.463 4.794 9.898 384 HG22 THR 51 HG22 THR 51 8.715 5.208 11.440 385 HG23 THR 51 HG23 THR 51 9.111 6.478 10.283 386 H PHE 52 H PHE 52 8.575 1.780 9.491 387 HA PHE 52 HA PHE 52 8.034 1.250 12.375 388 HB2 PHE 52 HB2 PHE 52 9.392 -0.659 10.474 389 HB3 PHE 52 HB3 PHE 52 8.526 -1.017 11.964 390 HD1 PHE 52 HD2 PHE 52 6.037 0.509 11.549 391 HD2 PHE 52 HD1 PHE 52 8.286 -1.905 8.860 392 HE1 PHE 52 HE2 PHE 52 3.995 0.057 10.253 393 HE2 PHE 52 HE1 PHE 52 6.248 -2.360 7.559 394 HZ PHE 52 HZ PHE 52 4.099 -1.380 8.255 395 H THR 53 H THR 53 9.683 0.905 13.849 396 HA THR 53 HA THR 53 12.442 1.487 12.873 397 HB THR 53 HB THR 53 11.120 2.788 15.274 398 HG1 THR 53 HG1 THR 53 10.697 4.289 13.854 399 HG21 THR 53 HG21 THR 53 13.285 4.007 15.470 400 HG22 THR 53 HG22 THR 53 13.961 2.916 14.261 401 HG23 THR 53 HG23 THR 53 13.412 2.283 15.813 402 H VAL 54 H VAL 54 14.080 0.427 13.906 403 HA VAL 54 HA VAL 54 13.242 -1.389 16.133 404 HB VAL 54 HB VAL 54 13.536 -2.729 14.139 405 HG11 VAL 54 HG11 VAL 54 15.024 -1.051 12.987 406 HG12 VAL 54 HG12 VAL 54 16.361 -1.714 13.928 407 HG13 VAL 54 HG13 VAL 54 15.486 -2.741 12.792 408 HG21 VAL 54 HG21 VAL 54 14.387 -3.546 16.353 409 HG22 VAL 54 HG22 VAL 54 15.123 -4.314 14.946 410 HG23 VAL 54 HG23 VAL 54 16.003 -3.069 15.833 411 H THR 55 H THR 55 14.283 -1.009 17.956 412 HA THR 55 HA THR 55 17.019 0.190 17.758 413 HB THR 55 HB THR 55 15.038 0.516 20.030 414 HG1 THR 55 HG1 THR 55 14.209 1.888 18.618 415 HG21 THR 55 HG21 THR 55 17.837 0.923 19.882 416 HG22 THR 55 HG22 THR 55 16.743 1.344 21.199 417 HG23 THR 55 HG23 THR 55 17.075 2.512 19.921 418 H GLU 56 H GLU 56 18.675 -0.779 18.774 419 HA GLU 56 HA GLU 56 18.198 -3.440 19.869 420 HB2 GLU 56 HB2 GLU 56 20.647 -1.746 19.402 421 HB3 GLU 56 HB3 GLU 56 20.747 -3.255 20.298 422 HG2 GLU 56 HG2 GLU 56 20.060 -4.523 18.429 423 HG3 GLU 56 HG3 GLU 56 19.574 -3.080 17.540 Start of MODEL 16 1 H1 MET 1 H MET 1 0.702 2.523 -1.087 2 HA MET 1 HA MET 1 1.203 -0.007 -0.860 3 HB2 MET 1 HB2 MET 1 1.159 1.612 -3.037 4 HB3 MET 1 HB3 MET 1 2.813 1.020 -3.113 5 HG2 MET 1 HG2 MET 1 1.327 -1.253 -2.620 6 HG3 MET 1 HG3 MET 1 0.325 -0.324 -3.733 7 HE1 MET 1 HE1 MET 1 1.884 -3.339 -4.869 8 HE2 MET 1 HE2 MET 1 0.424 -2.361 -5.020 9 HE3 MET 1 HE3 MET 1 1.527 -2.518 -6.388 10 H GLN 2 H GLN 2 3.661 2.405 -0.435 11 HA GLN 2 HA GLN 2 5.689 0.236 -0.094 12 HB2 GLN 2 HB2 GLN 2 6.794 2.910 -0.064 13 HB3 GLN 2 HB3 GLN 2 7.166 1.561 -1.128 14 HG2 GLN 2 HG2 GLN 2 5.154 2.177 -2.475 15 HG3 GLN 2 HG3 GLN 2 5.010 3.625 -1.481 16 HE21 GLN 2 HE21 GLN 2 5.210 4.560 -3.704 17 HE22 GLN 2 HE22 GLN 2 6.802 4.924 -4.266 18 H TYR 3 H TYR 3 6.813 0.022 1.789 19 HA TYR 3 HA TYR 3 5.842 1.747 4.031 20 HB2 TYR 3 HB2 TYR 3 6.852 -1.112 4.052 21 HB3 TYR 3 HB3 TYR 3 6.456 -0.184 5.494 22 HD1 TYR 3 HD2 TYR 3 4.935 -1.313 2.277 23 HD2 TYR 3 HD1 TYR 3 4.314 -0.322 6.368 24 HE1 TYR 3 HE2 TYR 3 2.592 -2.035 2.090 25 HE2 TYR 3 HE1 TYR 3 1.968 -1.042 6.192 26 HH TYR 3 HH TYR 3 0.299 -1.271 3.666 27 H LYS 4 H LYS 4 7.473 1.693 5.946 28 HA LYS 4 HA LYS 4 10.239 1.990 4.860 29 HB2 LYS 4 HB2 LYS 4 8.603 4.122 5.576 30 HB3 LYS 4 HB3 LYS 4 9.601 3.875 7.003 31 HG2 LYS 4 HG2 LYS 4 11.612 4.098 5.673 32 HG3 LYS 4 HG3 LYS 4 10.645 4.259 4.204 33 HD2 LYS 4 HD2 LYS 4 11.099 6.465 4.704 34 HD3 LYS 4 HD3 LYS 4 9.536 6.241 5.492 35 HE2 LYS 4 HE2 LYS 4 10.451 6.241 7.603 36 HE3 LYS 4 HE3 LYS 4 12.029 5.699 7.035 37 HZ1 LYS 4 HZ1 LYS 4 11.361 8.253 7.680 38 HZ2 LYS 4 HZ2 LYS 4 11.290 8.263 5.990 39 HZ3 LYS 4 HZ3 LYS 4 12.712 7.787 6.773 40 H LEU 5 H LEU 5 11.939 1.694 6.363 41 HA LEU 5 HA LEU 5 11.136 0.642 9.022 42 HB2 LEU 5 HB2 LEU 5 11.326 -1.431 8.139 43 HB3 LEU 5 HB3 LEU 5 12.334 -0.890 6.799 44 HG LEU 5 HG LEU 5 14.273 -0.827 8.344 45 HD11 LEU 5 HD11 LEU 5 13.744 -2.354 10.454 46 HD12 LEU 5 HD12 LEU 5 12.163 -1.595 10.277 47 HD13 LEU 5 HD13 LEU 5 13.599 -0.597 10.499 48 HD21 LEU 5 HD21 LEU 5 13.310 -2.904 6.983 49 HD22 LEU 5 HD22 LEU 5 13.200 -3.576 8.610 50 HD23 LEU 5 HD23 LEU 5 14.754 -3.017 7.989 51 H VAL 6 H VAL 6 12.280 1.649 10.516 52 HA VAL 6 HA VAL 6 14.931 2.761 9.728 53 HB VAL 6 HB VAL 6 13.167 3.423 12.100 54 HG11 VAL 6 HG11 VAL 6 15.398 3.800 12.774 55 HG12 VAL 6 HG12 VAL 6 15.834 4.490 11.209 56 HG13 VAL 6 HG13 VAL 6 14.766 5.376 12.299 57 HG21 VAL 6 HG21 VAL 6 12.403 4.129 9.781 58 HG22 VAL 6 HG22 VAL 6 12.570 5.410 10.983 59 HG23 VAL 6 HG23 VAL 6 13.815 5.187 9.753 60 H ILE 7 H ILE 7 16.790 2.363 10.879 61 HA ILE 7 HA ILE 7 16.563 0.137 12.869 62 HB ILE 7 HB ILE 7 18.853 0.760 10.986 63 HG12 ILE 7 HG12 ILE 7 17.497 -1.860 10.916 64 HG13 ILE 7 HG13 ILE 7 16.522 -0.502 10.368 65 HG21 ILE 7 HG21 ILE 7 19.624 -0.093 13.145 66 HG22 ILE 7 HG22 ILE 7 18.542 -1.476 12.984 67 HG23 ILE 7 HG23 ILE 7 19.882 -1.270 11.857 68 HD11 ILE 7 HD11 ILE 7 19.280 -0.990 9.309 69 HD12 ILE 7 HD12 ILE 7 17.857 -1.775 8.623 70 HD13 ILE 7 HD13 ILE 7 17.985 -0.016 8.614 71 H ASN 8 H ASN 8 16.563 1.194 14.783 72 HA ASN 8 HA ASN 8 18.709 3.217 15.221 73 HB2 ASN 8 HB2 ASN 8 16.160 2.597 16.738 74 HB3 ASN 8 HB3 ASN 8 17.381 3.728 17.313 75 HD21 ASN 8 HD21 ASN 8 18.089 5.242 15.359 76 HD22 ASN 8 HD22 ASN 8 16.758 6.037 14.595 77 H GLY 9 H GLY 9 19.818 0.810 15.063 78 HA2 GLY 9 HA2 GLY 9 19.841 -0.526 17.662 79 HA3 GLY 9 HA3 GLY 9 20.845 -0.908 16.272 80 H LYS 10 H LYS 10 22.591 -1.201 17.784 81 HA LYS 10 HA LYS 10 23.530 1.189 19.209 82 HB2 LYS 10 HB2 LYS 10 23.728 -1.278 19.965 83 HB3 LYS 10 HB3 LYS 10 25.078 -1.374 18.842 84 HG2 LYS 10 HG2 LYS 10 25.153 0.898 20.706 85 HG3 LYS 10 HG3 LYS 10 25.309 -0.700 21.440 86 HD2 LYS 10 HD2 LYS 10 26.972 -0.885 19.270 87 HD3 LYS 10 HD3 LYS 10 27.187 0.795 19.767 88 HE2 LYS 10 HE2 LYS 10 27.319 -0.385 22.165 89 HE3 LYS 10 HE3 LYS 10 27.903 -1.715 21.166 90 HZ1 LYS 10 HZ1 LYS 10 29.466 0.220 22.113 91 HZ2 LYS 10 HZ2 LYS 10 29.071 0.881 20.607 92 HZ3 LYS 10 HZ3 LYS 10 29.804 -0.640 20.696 93 H THR 11 H THR 11 24.795 -0.948 16.615 94 HA THR 11 HA THR 11 26.571 1.319 15.806 95 HB THR 11 HB THR 11 27.988 -0.338 14.709 96 HG1 THR 11 HG1 THR 11 27.489 -2.580 14.978 97 HG21 THR 11 HG21 THR 11 27.878 -1.805 17.174 98 HG22 THR 11 HG22 THR 11 27.611 -0.090 17.486 99 HG23 THR 11 HG23 THR 11 29.065 -0.616 16.639 100 H LEU 12 H LEU 12 24.702 -1.424 14.430 101 HA LEU 12 HA LEU 12 24.725 -0.312 11.769 102 HB2 LEU 12 HB2 LEU 12 24.441 -2.688 12.161 103 HB3 LEU 12 HB3 LEU 12 22.952 -2.394 13.057 104 HG LEU 12 HG LEU 12 21.780 -1.792 11.080 105 HD11 LEU 12 HD11 LEU 12 23.006 -0.538 9.666 106 HD12 LEU 12 HD12 LEU 12 23.301 -2.089 8.882 107 HD13 LEU 12 HD13 LEU 12 24.495 -1.424 9.996 108 HD21 LEU 12 HD21 LEU 12 23.029 -3.933 9.675 109 HD22 LEU 12 HD22 LEU 12 21.516 -3.936 10.582 110 HD23 LEU 12 HD23 LEU 12 23.035 -4.305 11.399 111 H LYS 13 H LYS 13 23.707 1.449 11.127 112 HA LYS 13 HA LYS 13 20.929 1.879 12.112 113 HB2 LYS 13 HB2 LYS 13 23.231 3.526 12.699 114 HB3 LYS 13 HB3 LYS 13 22.062 4.439 11.755 115 HG2 LYS 13 HG2 LYS 13 20.395 4.204 13.375 116 HG3 LYS 13 HG3 LYS 13 21.242 2.883 14.182 117 HD2 LYS 13 HD2 LYS 13 23.011 5.056 14.214 118 HD3 LYS 13 HD3 LYS 13 21.430 5.720 14.630 119 HE2 LYS 13 HE2 LYS 13 21.439 3.477 16.137 120 HE3 LYS 13 HE3 LYS 13 23.161 3.855 16.117 121 HZ1 LYS 13 HZ1 LYS 13 21.821 6.237 16.587 122 HZ2 LYS 13 HZ2 LYS 13 22.767 5.356 17.677 123 HZ3 LYS 13 HZ3 LYS 13 21.099 5.088 17.596 124 H GLY 14 H GLY 14 19.526 2.880 10.673 125 HA2 GLY 14 HA2 GLY 14 20.048 4.285 8.380 126 HA3 GLY 14 HA3 GLY 14 20.343 2.627 7.878 127 H GLU 15 H GLU 15 18.521 3.545 6.396 128 HA GLU 15 HA GLU 15 15.976 2.566 7.605 129 HB2 GLU 15 HB2 GLU 15 15.919 4.822 5.630 130 HB3 GLU 15 HB3 GLU 15 14.730 4.371 6.843 131 HG2 GLU 15 HG2 GLU 15 15.535 6.157 7.926 132 HG3 GLU 15 HG3 GLU 15 16.797 5.035 8.433 133 H THR 16 H THR 16 14.343 1.945 5.975 134 HA THR 16 HA THR 16 15.333 1.441 3.260 135 HB THR 16 HB THR 16 16.288 -0.460 4.565 136 HG1 THR 16 HG1 THR 16 15.322 -2.086 3.149 137 HG21 THR 16 HG21 THR 16 13.435 -1.353 4.954 138 HG22 THR 16 HG22 THR 16 14.376 -0.550 6.211 139 HG23 THR 16 HG23 THR 16 14.901 -2.109 5.576 140 H THR 17 H THR 17 13.651 0.037 2.036 141 HA THR 17 HA THR 17 10.921 0.685 3.064 142 HB THR 17 HB THR 17 10.304 1.145 0.628 143 HG1 THR 17 HG1 THR 17 12.235 2.006 -0.539 144 HG21 THR 17 HG21 THR 17 11.235 2.813 2.650 145 HG22 THR 17 HG22 THR 17 10.334 3.301 1.214 146 HG23 THR 17 HG23 THR 17 12.097 3.346 1.207 147 H THR 18 H THR 18 9.197 -0.590 2.140 148 HA THR 18 HA THR 18 9.922 -2.941 0.554 149 HB THR 18 HB THR 18 8.679 -3.593 3.206 150 HG1 THR 18 HG1 THR 18 11.023 -4.149 3.738 151 HG21 THR 18 HG21 THR 18 8.978 -5.712 2.541 152 HG22 THR 18 HG22 THR 18 10.641 -5.404 2.041 153 HG23 THR 18 HG23 THR 18 9.309 -5.043 0.943 154 H LYS 19 H LYS 19 8.197 -3.840 -0.483 155 HA LYS 19 HA LYS 19 5.592 -2.471 0.014 156 HB2 LYS 19 HB2 LYS 19 5.073 -2.793 -2.253 157 HB3 LYS 19 HB3 LYS 19 6.781 -2.375 -2.267 158 HG2 LYS 19 HG2 LYS 19 6.826 -5.114 -2.077 159 HG3 LYS 19 HG3 LYS 19 5.443 -4.808 -3.131 160 HD2 LYS 19 HD2 LYS 19 8.129 -3.522 -3.562 161 HD3 LYS 19 HD3 LYS 19 7.696 -5.081 -4.267 162 HE2 LYS 19 HE2 LYS 19 6.797 -3.960 -5.965 163 HE3 LYS 19 HE3 LYS 19 5.545 -3.415 -4.850 164 HZ1 LYS 19 HZ1 LYS 19 8.049 -1.928 -4.831 165 HZ2 LYS 19 HZ2 LYS 19 6.459 -1.372 -4.678 166 HZ3 LYS 19 HZ3 LYS 19 7.079 -1.749 -6.206 167 H ALA 20 H ALA 20 3.667 -3.625 0.154 168 HA ALA 20 HA ALA 20 3.564 -6.491 -0.121 169 HB1 ALA 20 HB1 ALA 20 4.568 -5.531 2.368 170 HB2 ALA 20 HB2 ALA 20 2.967 -6.219 2.643 171 HB3 ALA 20 HB3 ALA 20 4.225 -7.191 1.880 172 H VAL 21 H VAL 21 1.463 -7.388 0.470 173 HA VAL 21 HA VAL 21 -0.631 -5.383 -0.009 174 HB VAL 21 HB VAL 21 -2.142 -7.393 -0.037 175 HG11 VAL 21 HG11 VAL 21 -0.704 -8.427 -2.069 176 HG12 VAL 21 HG12 VAL 21 -1.623 -6.925 -2.182 177 HG13 VAL 21 HG13 VAL 21 0.111 -6.877 -1.864 178 HG21 VAL 21 HG21 VAL 21 -0.121 -8.624 1.342 179 HG22 VAL 21 HG22 VAL 21 -1.467 -9.446 0.552 180 HG23 VAL 21 HG23 VAL 21 0.077 -9.277 -0.284 181 H ASP 22 H ASP 22 0.960 -6.236 2.685 182 HA ASP 22 HA ASP 22 -0.977 -5.160 4.456 183 HB2 ASP 22 HB2 ASP 22 -1.266 -7.414 5.778 184 HB3 ASP 22 HB3 ASP 22 -2.335 -7.038 4.430 185 H ALA 23 H ALA 23 -0.195 -4.891 6.561 186 HA ALA 23 HA ALA 23 2.618 -4.743 6.804 187 HB1 ALA 23 HB1 ALA 23 0.295 -4.349 8.547 188 HB2 ALA 23 HB2 ALA 23 1.758 -4.836 9.405 189 HB3 ALA 23 HB3 ALA 23 1.772 -3.398 8.384 190 H GLU 24 H GLU 24 0.470 -7.421 7.216 191 HA GLU 24 HA GLU 24 2.114 -8.939 9.040 192 HB2 GLU 24 HB2 GLU 24 -0.182 -9.539 8.861 193 HB3 GLU 24 HB3 GLU 24 -0.089 -9.686 7.111 194 HG2 GLU 24 HG2 GLU 24 1.274 -11.663 7.305 195 HG3 GLU 24 HG3 GLU 24 1.331 -11.488 9.058 196 H THR 25 H THR 25 1.412 -9.582 5.577 197 HA THR 25 HA THR 25 3.513 -11.413 5.192 198 HB THR 25 HB THR 25 1.596 -10.864 3.602 199 HG1 THR 25 HG1 THR 25 3.211 -11.141 1.721 200 HG21 THR 25 HG21 THR 25 3.379 -8.990 2.165 201 HG22 THR 25 HG22 THR 25 2.554 -8.353 3.588 202 HG23 THR 25 HG23 THR 25 1.619 -9.035 2.258 203 H ALA 26 H ALA 26 3.579 -7.935 5.411 204 HA ALA 26 HA ALA 26 6.224 -7.714 4.163 205 HB1 ALA 26 HB1 ALA 26 4.142 -5.963 4.580 206 HB2 ALA 26 HB2 ALA 26 5.332 -5.445 5.774 207 HB3 ALA 26 HB3 ALA 26 5.772 -5.525 4.068 208 H GLU 27 H GLU 27 4.821 -7.648 7.437 209 HA GLU 27 HA GLU 27 7.094 -6.873 8.884 210 HB2 GLU 27 HB2 GLU 27 4.956 -7.131 9.965 211 HB3 GLU 27 HB3 GLU 27 4.911 -8.849 9.594 212 HG2 GLU 27 HG2 GLU 27 6.531 -9.362 11.184 213 HG3 GLU 27 HG3 GLU 27 7.088 -7.693 11.291 214 H LYS 28 H LYS 28 6.111 -10.164 7.875 215 HA LYS 28 HA LYS 28 8.192 -11.603 9.081 216 HB2 LYS 28 HB2 LYS 28 6.211 -12.057 7.063 217 HB3 LYS 28 HB3 LYS 28 7.738 -12.719 6.495 218 HG2 LYS 28 HG2 LYS 28 7.749 -14.366 8.029 219 HG3 LYS 28 HG3 LYS 28 7.037 -13.349 9.284 220 HD2 LYS 28 HD2 LYS 28 5.082 -13.700 7.268 221 HD3 LYS 28 HD3 LYS 28 5.772 -15.288 7.615 222 HE2 LYS 28 HE2 LYS 28 5.149 -13.610 9.959 223 HE3 LYS 28 HE3 LYS 28 3.762 -14.173 9.028 224 HZ1 LYS 28 HZ1 LYS 28 4.222 -15.770 10.706 225 HZ2 LYS 28 HZ2 LYS 28 5.862 -15.838 10.298 226 HZ3 LYS 28 HZ3 LYS 28 4.700 -16.450 9.232 227 H ALA 29 H ALA 29 8.182 -9.746 6.060 228 HA ALA 29 HA ALA 29 10.817 -10.643 5.246 229 HB1 ALA 29 HB1 ALA 29 9.349 -8.151 4.372 230 HB2 ALA 29 HB2 ALA 29 10.642 -8.994 3.516 231 HB3 ALA 29 HB3 ALA 29 9.063 -9.758 3.703 232 H PHE 30 H PHE 30 9.560 -8.122 7.319 233 HA PHE 30 HA PHE 30 11.994 -6.533 7.294 234 HB2 PHE 30 HB2 PHE 30 9.442 -6.547 8.864 235 HB3 PHE 30 HB3 PHE 30 10.821 -5.662 9.506 236 HD1 PHE 30 HD2 PHE 30 12.046 -4.579 7.084 237 HD2 PHE 30 HD1 PHE 30 7.942 -4.940 8.155 238 HE1 PHE 30 HE2 PHE 30 11.501 -2.675 5.625 239 HE2 PHE 30 HE1 PHE 30 7.391 -3.036 6.697 240 HZ PHE 30 HZ PHE 30 9.171 -1.900 5.431 241 H LYS 31 H LYS 31 10.779 -9.280 9.084 242 HA LYS 31 HA LYS 31 12.761 -9.003 11.224 243 HB2 LYS 31 HB2 LYS 31 10.368 -10.161 11.202 244 HB3 LYS 31 HB3 LYS 31 11.304 -11.564 10.700 245 HG2 LYS 31 HG2 LYS 31 12.376 -11.745 12.711 246 HG3 LYS 31 HG3 LYS 31 12.215 -10.026 13.076 247 HD2 LYS 31 HD2 LYS 31 9.904 -11.961 13.029 248 HD3 LYS 31 HD3 LYS 31 10.798 -11.530 14.489 249 HE2 LYS 31 HE2 LYS 31 9.489 -9.754 14.732 250 HE3 LYS 31 HE3 LYS 31 10.105 -9.115 13.208 251 HZ1 LYS 31 HZ1 LYS 31 8.299 -9.867 12.056 252 HZ2 LYS 31 HZ2 LYS 31 7.569 -9.538 13.545 253 HZ3 LYS 31 HZ3 LYS 31 7.972 -11.129 13.135 254 H GLN 32 H GLN 32 13.041 -9.776 8.058 255 HA GLN 32 HA GLN 32 14.949 -12.010 8.489 256 HB2 GLN 32 HB2 GLN 32 13.416 -12.349 6.672 257 HB3 GLN 32 HB3 GLN 32 13.769 -10.765 5.995 258 HG2 GLN 32 HG2 GLN 32 15.521 -11.526 4.863 259 HG3 GLN 32 HG3 GLN 32 16.147 -12.403 6.259 260 HE21 GLN 32 HE21 GLN 32 15.623 -12.975 3.276 261 HE22 GLN 32 HE22 GLN 32 14.880 -14.534 3.302 262 H TYR 33 H TYR 33 14.815 -8.799 6.892 263 HA TYR 33 HA TYR 33 17.524 -8.612 6.193 264 HB2 TYR 33 HB2 TYR 33 15.672 -7.009 5.591 265 HB3 TYR 33 HB3 TYR 33 15.826 -6.312 7.200 266 HD1 TYR 33 HD2 TYR 33 17.619 -6.873 4.010 267 HD2 TYR 33 HD1 TYR 33 17.524 -4.740 7.690 268 HE1 TYR 33 HE2 TYR 33 19.400 -5.389 3.189 269 HE2 TYR 33 HE1 TYR 33 19.304 -3.249 6.879 270 HH TYR 33 HH TYR 33 20.366 -3.282 3.578 271 H ALA 34 H ALA 34 16.068 -6.986 9.047 272 HA ALA 34 HA ALA 34 18.420 -6.248 10.319 273 HB1 ALA 34 HB1 ALA 34 17.082 -5.677 12.031 274 HB2 ALA 34 HB2 ALA 34 15.772 -6.161 10.953 275 HB3 ALA 34 HB3 ALA 34 16.382 -7.290 12.163 276 H ASN 35 H ASN 35 16.614 -9.304 10.887 277 HA ASN 35 HA ASN 35 18.391 -10.461 12.712 278 HB2 ASN 35 HB2 ASN 35 16.434 -11.509 10.722 279 HB3 ASN 35 HB3 ASN 35 17.583 -12.661 11.395 280 HD21 ASN 35 HD21 ASN 35 15.799 -13.720 12.371 281 HD22 ASN 35 HD22 ASN 35 15.097 -13.104 13.824 282 H ASP 36 H ASP 36 18.377 -10.902 9.147 283 HA ASP 36 HA ASP 36 20.733 -12.470 9.037 284 HB2 ASP 36 HB2 ASP 36 18.920 -11.685 7.212 285 HB3 ASP 36 HB3 ASP 36 20.213 -10.559 6.812 286 H ASN 37 H ASN 37 20.284 -9.084 9.604 287 HA ASN 37 HA ASN 37 23.119 -8.501 8.959 288 HB2 ASN 37 HB2 ASN 37 20.705 -6.820 9.608 289 HB3 ASN 37 HB3 ASN 37 22.324 -6.140 9.745 290 HD21 ASN 37 HD21 ASN 37 19.753 -6.721 7.705 291 HD22 ASN 37 HD22 ASN 37 20.537 -6.416 6.196 292 H GLY 38 H GLY 38 21.341 -9.677 11.527 293 HA2 GLY 38 HA2 GLY 38 22.398 -10.229 13.602 294 HA3 GLY 38 HA3 GLY 38 23.513 -8.888 13.390 295 H VAL 39 H VAL 39 21.115 -7.176 12.584 296 HA VAL 39 HA VAL 39 20.621 -6.181 15.276 297 HB VAL 39 HB VAL 39 19.534 -5.349 12.576 298 HG11 VAL 39 HG11 VAL 39 18.878 -3.249 13.899 299 HG12 VAL 39 HG12 VAL 39 17.848 -4.674 14.045 300 HG13 VAL 39 HG13 VAL 39 18.995 -4.278 15.325 301 HG21 VAL 39 HG21 VAL 39 21.953 -4.973 13.028 302 HG22 VAL 39 HG22 VAL 39 21.038 -3.488 12.765 303 HG23 VAL 39 HG23 VAL 39 21.495 -3.965 14.400 304 H ASP 40 H ASP 40 19.017 -6.663 16.611 305 HA ASP 40 HA ASP 40 16.404 -7.477 15.548 306 HB2 ASP 40 HB2 ASP 40 17.829 -9.584 15.670 307 HB3 ASP 40 HB3 ASP 40 17.848 -9.370 17.418 308 H GLY 41 H GLY 41 14.960 -6.392 16.688 309 HA2 GLY 41 HA2 GLY 41 15.316 -6.250 19.629 310 HA3 GLY 41 HA3 GLY 41 15.200 -4.734 18.748 311 H VAL 42 H VAL 42 13.286 -3.901 19.305 312 HA VAL 42 HA VAL 42 10.937 -5.719 19.355 313 HB VAL 42 HB VAL 42 9.743 -3.851 20.389 314 HG11 VAL 42 HG11 VAL 42 10.612 -5.008 22.125 315 HG12 VAL 42 HG12 VAL 42 12.261 -4.916 21.503 316 HG13 VAL 42 HG13 VAL 42 11.557 -3.536 22.346 317 HG21 VAL 42 HG21 VAL 42 11.560 -1.955 21.093 318 HG22 VAL 42 HG22 VAL 42 12.085 -2.349 19.456 319 HG23 VAL 42 HG23 VAL 42 10.431 -1.810 19.746 320 H TRP 43 H TRP 43 9.410 -5.747 17.837 321 HA TRP 43 HA TRP 43 9.675 -3.748 15.640 322 HB2 TRP 43 HB2 TRP 43 8.412 -6.502 15.727 323 HB3 TRP 43 HB3 TRP 43 8.295 -5.416 14.345 324 HD1 TRP 43 HD1 TRP 43 10.481 -8.036 15.821 325 HE1 TRP 43 HE1 TRP 43 12.665 -8.234 14.473 326 HE3 TRP 43 HE3 TRP 43 10.078 -3.794 12.996 327 HZ2 TRP 43 HZ2 TRP 43 14.036 -6.783 12.477 328 HZ3 TRP 43 HZ3 TRP 43 11.869 -3.272 11.391 329 HH2 TRP 43 HH2 TRP 43 13.806 -4.736 11.139 330 H THR 44 H THR 44 8.260 -2.154 15.521 331 HA THR 44 HA THR 44 5.485 -2.679 16.486 332 HB THR 44 HB THR 44 5.457 -0.300 17.355 333 HG1 THR 44 HG1 THR 44 7.232 0.705 16.650 334 HG21 THR 44 HG21 THR 44 7.498 -1.807 18.919 335 HG22 THR 44 HG22 THR 44 5.916 -2.544 18.667 336 HG23 THR 44 HG23 THR 44 6.042 -0.979 19.469 337 H TYR 45 H TYR 45 3.841 -1.499 15.470 338 HA TYR 45 HA TYR 45 4.464 0.473 13.435 339 HB2 TYR 45 HB2 TYR 45 4.218 -0.718 11.495 340 HB3 TYR 45 HB3 TYR 45 4.916 -1.987 12.495 341 HD1 TYR 45 HD2 TYR 45 3.548 -3.839 13.291 342 HD2 TYR 45 HD1 TYR 45 1.885 -0.788 10.835 343 HE1 TYR 45 HE2 TYR 45 1.590 -5.263 12.857 344 HE2 TYR 45 HE1 TYR 45 -0.078 -2.204 10.395 345 HH TYR 45 HH TYR 45 -0.190 -5.535 11.345 346 H ASP 46 H ASP 46 2.643 1.545 12.657 347 HA ASP 46 HA ASP 46 0.119 0.772 14.066 348 HB2 ASP 46 HB2 ASP 46 0.698 2.864 14.932 349 HB3 ASP 46 HB3 ASP 46 1.339 3.440 13.395 350 H ASP 47 H ASP 47 -1.618 0.284 12.902 351 HA ASP 47 HA ASP 47 -1.538 -0.188 10.157 352 HB2 ASP 47 HB2 ASP 47 -3.352 -1.166 11.215 353 HB3 ASP 47 HB3 ASP 47 -3.763 0.296 12.107 354 H ALA 48 H ALA 48 -2.811 2.716 11.823 355 HA ALA 48 HA ALA 48 -3.711 4.134 9.590 356 HB1 ALA 48 HB1 ALA 48 -2.263 5.766 11.568 357 HB2 ALA 48 HB2 ALA 48 -3.938 5.855 11.022 358 HB3 ALA 48 HB3 ALA 48 -3.470 4.670 12.241 359 H THR 49 H THR 49 -0.401 3.894 10.891 360 HA THR 49 HA THR 49 0.551 5.427 8.513 361 HB THR 49 HB THR 49 1.207 6.194 10.842 362 HG1 THR 49 HG1 THR 49 3.570 6.220 10.113 363 HG21 THR 49 HG21 THR 49 1.869 3.513 11.184 364 HG22 THR 49 HG22 THR 49 2.260 4.842 12.275 365 HG23 THR 49 HG23 THR 49 3.421 4.337 11.047 366 H LYS 50 H LYS 50 3.188 4.607 8.459 367 HA LYS 50 HA LYS 50 3.207 1.670 8.238 368 HB2 LYS 50 HB2 LYS 50 3.407 3.500 5.838 369 HB3 LYS 50 HB3 LYS 50 4.035 1.857 5.831 370 HG2 LYS 50 HG2 LYS 50 1.997 1.396 4.997 371 HG3 LYS 50 HG3 LYS 50 1.551 1.372 6.705 372 HD2 LYS 50 HD2 LYS 50 0.028 2.924 6.206 373 HD3 LYS 50 HD3 LYS 50 1.374 4.047 5.999 374 HE2 LYS 50 HE2 LYS 50 1.325 3.895 3.709 375 HE3 LYS 50 HE3 LYS 50 0.626 2.277 3.724 376 HZ1 LYS 50 HZ1 LYS 50 -0.884 4.118 2.979 377 HZ2 LYS 50 HZ2 LYS 50 -0.882 4.681 4.574 378 HZ3 LYS 50 HZ3 LYS 50 -1.493 3.143 4.221 379 H THR 51 H THR 51 4.604 3.318 9.968 380 HA THR 51 HA THR 51 7.357 3.274 8.791 381 HB THR 51 HB THR 51 6.247 4.965 11.050 382 HG1 THR 51 HG1 THR 51 5.979 5.473 8.650 383 HG21 THR 51 HG21 THR 51 9.065 4.659 10.017 384 HG22 THR 51 HG22 THR 51 8.482 4.375 11.657 385 HG23 THR 51 HG23 THR 51 8.530 6.015 11.009 386 H PHE 52 H PHE 52 8.342 1.445 9.347 387 HA PHE 52 HA PHE 52 7.813 0.316 12.043 388 HB2 PHE 52 HB2 PHE 52 9.162 -0.793 9.569 389 HB3 PHE 52 HB3 PHE 52 9.159 -1.633 11.116 390 HD1 PHE 52 HD1 PHE 52 6.715 0.042 8.844 391 HD2 PHE 52 HD2 PHE 52 7.565 -3.247 11.409 392 HE1 PHE 52 HE1 PHE 52 4.527 -0.943 8.300 393 HE2 PHE 52 HE2 PHE 52 5.378 -4.237 10.868 394 HZ PHE 52 HZ PHE 52 3.857 -3.086 9.311 395 H THR 53 H THR 53 9.427 -0.139 13.536 396 HA THR 53 HA THR 53 12.153 0.859 12.922 397 HB THR 53 HB THR 53 10.695 1.767 15.415 398 HG1 THR 53 HG1 THR 53 9.728 2.832 13.701 399 HG21 THR 53 HG21 THR 53 13.002 1.824 15.822 400 HG22 THR 53 HG22 THR 53 12.619 3.470 15.317 401 HG23 THR 53 HG23 THR 53 13.370 2.351 14.180 402 H VAL 54 H VAL 54 13.784 0.114 14.368 403 HA VAL 54 HA VAL 54 12.890 -2.056 16.211 404 HB VAL 54 HB VAL 54 13.589 -3.148 14.143 405 HG11 VAL 54 HG11 VAL 54 16.306 -1.907 14.518 406 HG12 VAL 54 HG12 VAL 54 15.740 -2.892 13.167 407 HG13 VAL 54 HG13 VAL 54 15.092 -1.269 13.410 408 HG21 VAL 54 HG21 VAL 54 15.640 -3.436 16.336 409 HG22 VAL 54 HG22 VAL 54 14.079 -4.254 16.262 410 HG23 VAL 54 HG23 VAL 54 15.322 -4.614 15.063 411 H THR 55 H THR 55 13.745 -1.885 18.166 412 HA THR 55 HA THR 55 16.220 -0.222 18.433 413 HB THR 55 HB THR 55 14.299 -0.720 20.699 414 HG1 THR 55 HG1 THR 55 14.092 1.605 19.127 415 HG21 THR 55 HG21 THR 55 16.298 0.269 21.437 416 HG22 THR 55 HG22 THR 55 15.177 1.620 21.271 417 HG23 THR 55 HG23 THR 55 16.396 1.327 20.030 418 H GLU 56 H GLU 56 17.996 -1.184 19.147 419 HA GLU 56 HA GLU 56 17.937 -3.990 19.858 420 HB2 GLU 56 HB2 GLU 56 20.044 -1.867 19.649 421 HB3 GLU 56 HB3 GLU 56 20.425 -3.360 20.495 422 HG2 GLU 56 HG2 GLU 56 19.823 -4.640 18.498 423 HG3 GLU 56 HG3 GLU 56 19.465 -3.136 17.651 Start of MODEL 17 1 H1 MET 1 H MET 1 0.360 1.907 -0.448 2 HA MET 1 HA MET 1 0.900 -0.578 0.366 3 HB2 MET 1 HB2 MET 1 2.007 0.673 -2.155 4 HB3 MET 1 HB3 MET 1 1.880 -1.057 -1.862 5 HG2 MET 1 HG2 MET 1 -0.670 -0.182 -1.380 6 HG3 MET 1 HG3 MET 1 -0.144 0.858 -2.702 7 HE1 MET 1 HE1 MET 1 -0.927 -0.003 -5.165 8 HE2 MET 1 HE2 MET 1 -1.977 -1.413 -5.032 9 HE3 MET 1 HE3 MET 1 -2.157 -0.070 -3.903 10 H GLN 2 H GLN 2 3.584 1.209 -1.175 11 HA GLN 2 HA GLN 2 5.634 -0.405 -0.173 12 HB2 GLN 2 HB2 GLN 2 7.051 1.740 -0.423 13 HB3 GLN 2 HB3 GLN 2 6.242 1.108 -1.850 14 HG2 GLN 2 HG2 GLN 2 4.552 2.773 -1.731 15 HG3 GLN 2 HG3 GLN 2 5.102 3.301 -0.141 16 HE21 GLN 2 HE21 GLN 2 6.487 2.780 -3.371 17 HE22 GLN 2 HE22 GLN 2 7.368 4.265 -3.418 18 H TYR 3 H TYR 3 6.680 -0.662 1.699 19 HA TYR 3 HA TYR 3 5.876 1.165 3.924 20 HB2 TYR 3 HB2 TYR 3 6.809 -1.719 3.973 21 HB3 TYR 3 HB3 TYR 3 6.528 -0.743 5.411 22 HD1 TYR 3 HD1 TYR 3 4.218 0.034 5.937 23 HD2 TYR 3 HD2 TYR 3 5.006 -2.726 2.796 24 HE1 TYR 3 HE1 TYR 3 1.845 -0.612 5.917 25 HE2 TYR 3 HE2 TYR 3 2.635 -3.379 2.767 26 HH TYR 3 HH TYR 3 0.700 -3.355 4.378 27 H LYS 4 H LYS 4 7.539 1.341 5.702 28 HA LYS 4 HA LYS 4 10.302 1.337 4.577 29 HB2 LYS 4 HB2 LYS 4 8.783 3.642 4.918 30 HB3 LYS 4 HB3 LYS 4 9.777 3.588 6.368 31 HG2 LYS 4 HG2 LYS 4 11.787 3.496 5.036 32 HG3 LYS 4 HG3 LYS 4 10.833 3.421 3.553 33 HD2 LYS 4 HD2 LYS 4 10.374 5.635 3.583 34 HD3 LYS 4 HD3 LYS 4 10.250 5.692 5.343 35 HE2 LYS 4 HE2 LYS 4 12.149 6.987 4.715 36 HE3 LYS 4 HE3 LYS 4 12.743 5.493 5.437 37 HZ1 LYS 4 HZ1 LYS 4 13.725 6.389 3.204 38 HZ2 LYS 4 HZ2 LYS 4 12.392 5.597 2.529 39 HZ3 LYS 4 HZ3 LYS 4 13.515 4.728 3.448 40 H LEU 5 H LEU 5 12.001 1.325 6.156 41 HA LEU 5 HA LEU 5 11.095 0.574 8.896 42 HB2 LEU 5 HB2 LEU 5 11.490 -1.531 7.963 43 HB3 LEU 5 HB3 LEU 5 12.880 -0.968 7.038 44 HG LEU 5 HG LEU 5 14.199 -0.832 9.088 45 HD11 LEU 5 HD11 LEU 5 11.852 -2.064 10.510 46 HD12 LEU 5 HD12 LEU 5 12.234 -0.344 10.570 47 HD13 LEU 5 HD13 LEU 5 13.380 -1.524 11.205 48 HD21 LEU 5 HD21 LEU 5 14.167 -2.918 7.797 49 HD22 LEU 5 HD22 LEU 5 12.820 -3.497 8.778 50 HD23 LEU 5 HD23 LEU 5 14.396 -3.214 9.520 51 H VAL 6 H VAL 6 12.108 1.670 10.429 52 HA VAL 6 HA VAL 6 14.688 2.990 9.684 53 HB VAL 6 HB VAL 6 12.769 3.803 11.881 54 HG11 VAL 6 HG11 VAL 6 15.395 4.405 11.661 55 HG12 VAL 6 HG12 VAL 6 14.679 5.722 10.728 56 HG13 VAL 6 HG13 VAL 6 14.197 5.464 12.405 57 HG21 VAL 6 HG21 VAL 6 11.469 4.533 10.210 58 HG22 VAL 6 HG22 VAL 6 12.691 5.787 9.996 59 HG23 VAL 6 HG23 VAL 6 12.742 4.329 9.006 60 H ILE 7 H ILE 7 16.103 1.360 10.258 61 HA ILE 7 HA ILE 7 15.912 0.107 12.890 62 HB ILE 7 HB ILE 7 18.200 0.035 10.908 63 HG12 ILE 7 HG12 ILE 7 15.971 -1.974 11.278 64 HG13 ILE 7 HG13 ILE 7 15.994 -0.760 10.003 65 HG21 ILE 7 HG21 ILE 7 18.097 -0.823 13.540 66 HG22 ILE 7 HG22 ILE 7 17.815 -2.284 12.596 67 HG23 ILE 7 HG23 ILE 7 19.265 -1.320 12.317 68 HD11 ILE 7 HD11 ILE 7 17.143 -3.331 9.996 69 HD12 ILE 7 HD12 ILE 7 17.205 -2.099 8.735 70 HD13 ILE 7 HD13 ILE 7 18.466 -2.165 9.966 71 H ASN 8 H ASN 8 16.189 1.479 14.563 72 HA ASN 8 HA ASN 8 18.599 3.239 14.487 73 HB2 ASN 8 HB2 ASN 8 15.940 3.394 15.845 74 HB3 ASN 8 HB3 ASN 8 17.324 4.110 16.667 75 HD21 ASN 8 HD21 ASN 8 18.770 5.346 14.949 76 HD22 ASN 8 HD22 ASN 8 17.887 6.494 14.006 77 H GLY 9 H GLY 9 19.669 0.994 14.817 78 HA2 GLY 9 HA2 GLY 9 19.507 0.007 17.574 79 HA3 GLY 9 HA3 GLY 9 20.545 -0.605 16.294 80 H LYS 10 H LYS 10 22.127 -0.727 18.069 81 HA LYS 10 HA LYS 10 23.171 1.864 19.001 82 HB2 LYS 10 HB2 LYS 10 23.033 -0.370 20.329 83 HB3 LYS 10 HB3 LYS 10 24.490 -0.807 19.447 84 HG2 LYS 10 HG2 LYS 10 25.118 0.088 21.571 85 HG3 LYS 10 HG3 LYS 10 25.574 1.245 20.318 86 HD2 LYS 10 HD2 LYS 10 23.724 2.652 20.833 87 HD3 LYS 10 HD3 LYS 10 23.005 1.427 21.881 88 HE2 LYS 10 HE2 LYS 10 24.026 3.099 23.260 89 HE3 LYS 10 HE3 LYS 10 24.988 1.626 23.369 90 HZ1 LYS 10 HZ1 LYS 10 26.672 2.537 22.082 91 HZ2 LYS 10 HZ2 LYS 10 26.199 3.837 23.056 92 HZ3 LYS 10 HZ3 LYS 10 25.685 3.756 21.447 93 H THR 11 H THR 11 24.013 -0.722 16.740 94 HA THR 11 HA THR 11 26.417 0.868 15.943 95 HB THR 11 HB THR 11 27.279 -1.187 14.925 96 HG1 THR 11 HG1 THR 11 25.973 -3.161 15.670 97 HG21 THR 11 HG21 THR 11 27.558 -2.538 17.022 98 HG22 THR 11 HG22 THR 11 26.399 -1.457 17.798 99 HG23 THR 11 HG23 THR 11 27.931 -0.824 17.198 100 H LEU 12 H LEU 12 23.849 -1.230 14.562 101 HA LEU 12 HA LEU 12 24.272 -0.097 11.903 102 HB2 LEU 12 HB2 LEU 12 23.567 -2.445 12.323 103 HB3 LEU 12 HB3 LEU 12 22.023 -1.841 12.921 104 HG LEU 12 HG LEU 12 21.429 -1.032 10.740 105 HD11 LEU 12 HD11 LEU 12 23.196 -0.224 9.591 106 HD12 LEU 12 HD12 LEU 12 23.190 -1.840 8.887 107 HD13 LEU 12 HD13 LEU 12 24.300 -1.456 10.203 108 HD21 LEU 12 HD21 LEU 12 20.744 -3.059 10.142 109 HD22 LEU 12 HD22 LEU 12 21.807 -3.723 11.383 110 HD23 LEU 12 HD23 LEU 12 22.385 -3.552 9.725 111 H LYS 13 H LYS 13 23.344 1.628 11.036 112 HA LYS 13 HA LYS 13 20.741 2.544 12.135 113 HB2 LYS 13 HB2 LYS 13 23.331 3.990 12.300 114 HB3 LYS 13 HB3 LYS 13 21.941 4.944 11.796 115 HG2 LYS 13 HG2 LYS 13 21.060 4.957 13.847 116 HG3 LYS 13 HG3 LYS 13 21.425 3.252 14.120 117 HD2 LYS 13 HD2 LYS 13 23.227 3.764 15.324 118 HD3 LYS 13 HD3 LYS 13 23.845 4.818 14.051 119 HE2 LYS 13 HE2 LYS 13 22.364 6.616 14.867 120 HE3 LYS 13 HE3 LYS 13 21.834 5.559 16.175 121 HZ1 LYS 13 HZ1 LYS 13 23.507 6.460 17.312 122 HZ2 LYS 13 HZ2 LYS 13 24.247 7.097 15.931 123 HZ3 LYS 13 HZ3 LYS 13 24.533 5.491 16.380 124 H GLY 14 H GLY 14 19.859 1.774 10.171 125 HA2 GLY 14 HA2 GLY 14 20.272 3.712 7.961 126 HA3 GLY 14 HA3 GLY 14 20.481 2.003 7.608 127 H GLU 15 H GLU 15 18.717 2.939 6.038 128 HA GLU 15 HA GLU 15 16.134 2.079 7.239 129 HB2 GLU 15 HB2 GLU 15 16.152 4.393 5.329 130 HB3 GLU 15 HB3 GLU 15 14.940 3.938 6.518 131 HG2 GLU 15 HG2 GLU 15 16.484 4.636 8.310 132 HG3 GLU 15 HG3 GLU 15 17.628 5.170 7.080 133 H THR 16 H THR 16 14.524 1.433 5.656 134 HA THR 16 HA THR 16 15.464 1.029 2.899 135 HB THR 16 HB THR 16 16.414 -0.912 4.179 136 HG1 THR 16 HG1 THR 16 15.677 -2.421 2.632 137 HG21 THR 16 HG21 THR 16 14.005 -2.446 4.370 138 HG22 THR 16 HG22 THR 16 13.829 -0.967 5.315 139 HG23 THR 16 HG23 THR 16 15.176 -2.061 5.630 140 H THR 17 H THR 17 13.729 -0.545 1.783 141 HA THR 17 HA THR 17 11.031 0.196 2.815 142 HB THR 17 HB THR 17 10.354 0.657 0.412 143 HG1 THR 17 HG1 THR 17 11.841 0.533 -1.082 144 HG21 THR 17 HG21 THR 17 11.778 2.937 0.491 145 HG22 THR 17 HG22 THR 17 12.019 2.380 2.147 146 HG23 THR 17 HG23 THR 17 10.387 2.632 1.529 147 H THR 18 H THR 18 9.270 -1.044 1.831 148 HA THR 18 HA THR 18 10.026 -3.476 0.369 149 HB THR 18 HB THR 18 8.717 -3.783 3.083 150 HG1 THR 18 HG1 THR 18 10.763 -4.608 3.734 151 HG21 THR 18 HG21 THR 18 8.100 -5.688 2.005 152 HG22 THR 18 HG22 THR 18 9.722 -6.193 2.481 153 HG23 THR 18 HG23 THR 18 9.428 -5.593 0.849 154 H LYS 19 H LYS 19 8.395 -4.244 -0.854 155 HA LYS 19 HA LYS 19 5.795 -2.814 -0.580 156 HB2 LYS 19 HB2 LYS 19 6.739 -2.553 -2.755 157 HB3 LYS 19 HB3 LYS 19 7.118 -4.266 -2.880 158 HG2 LYS 19 HG2 LYS 19 4.642 -4.706 -2.827 159 HG3 LYS 19 HG3 LYS 19 4.411 -2.964 -2.993 160 HD2 LYS 19 HD2 LYS 19 6.237 -4.297 -4.917 161 HD3 LYS 19 HD3 LYS 19 4.507 -4.598 -5.093 162 HE2 LYS 19 HE2 LYS 19 4.530 -1.910 -4.751 163 HE3 LYS 19 HE3 LYS 19 6.068 -2.151 -5.578 164 HZ1 LYS 19 HZ1 LYS 19 5.018 -2.488 -7.485 165 HZ2 LYS 19 HZ2 LYS 19 3.576 -2.024 -6.733 166 HZ3 LYS 19 HZ3 LYS 19 4.001 -3.660 -6.810 167 H ALA 20 H ALA 20 4.466 -3.891 0.741 168 HA ALA 20 HA ALA 20 4.038 -6.785 0.114 169 HB1 ALA 20 HB1 ALA 20 3.379 -6.811 2.677 170 HB2 ALA 20 HB2 ALA 20 5.048 -7.036 2.150 171 HB3 ALA 20 HB3 ALA 20 4.515 -5.463 2.743 172 H VAL 21 H VAL 21 1.927 -7.575 0.330 173 HA VAL 21 HA VAL 21 -0.115 -5.597 -0.245 174 HB VAL 21 HB VAL 21 -1.659 -7.582 -0.195 175 HG11 VAL 21 HG11 VAL 21 -0.668 -6.900 -2.273 176 HG12 VAL 21 HG12 VAL 21 0.830 -7.749 -1.888 177 HG13 VAL 21 HG13 VAL 21 -0.649 -8.661 -2.194 178 HG21 VAL 21 HG21 VAL 21 -1.045 -9.603 0.557 179 HG22 VAL 21 HG22 VAL 21 0.553 -9.498 -0.181 180 HG23 VAL 21 HG23 VAL 21 0.251 -8.735 1.380 181 H ASP 22 H ASP 22 1.261 -6.667 2.618 182 HA ASP 22 HA ASP 22 -0.670 -5.263 4.221 183 HB2 ASP 22 HB2 ASP 22 -1.032 -7.597 5.569 184 HB3 ASP 22 HB3 ASP 22 -2.177 -6.950 4.397 185 H ALA 23 H ALA 23 -0.018 -5.016 6.390 186 HA ALA 23 HA ALA 23 2.736 -4.900 6.832 187 HB1 ALA 23 HB1 ALA 23 0.921 -5.401 9.155 188 HB2 ALA 23 HB2 ALA 23 2.233 -4.235 8.976 189 HB3 ALA 23 HB3 ALA 23 0.688 -3.953 8.174 190 H GLU 24 H GLU 24 0.474 -7.548 7.532 191 HA GLU 24 HA GLU 24 2.173 -9.155 9.107 192 HB2 GLU 24 HB2 GLU 24 0.745 -10.988 8.527 193 HB3 GLU 24 HB3 GLU 24 -0.261 -9.550 8.621 194 HG2 GLU 24 HG2 GLU 24 -0.303 -9.373 6.214 195 HG3 GLU 24 HG3 GLU 24 0.800 -10.741 6.070 196 H THR 25 H THR 25 2.063 -8.658 5.617 197 HA THR 25 HA THR 25 3.900 -10.860 5.065 198 HB THR 25 HB THR 25 2.820 -8.599 3.370 199 HG1 THR 25 HG1 THR 25 1.424 -10.380 3.866 200 HG21 THR 25 HG21 THR 25 4.802 -10.752 2.640 201 HG22 THR 25 HG22 THR 25 5.001 -9.005 2.493 202 HG23 THR 25 HG23 THR 25 3.860 -9.854 1.450 203 H ALA 26 H ALA 26 4.120 -7.279 4.841 204 HA ALA 26 HA ALA 26 6.884 -7.183 4.241 205 HB1 ALA 26 HB1 ALA 26 6.135 -5.096 3.966 206 HB2 ALA 26 HB2 ALA 26 4.818 -5.315 5.118 207 HB3 ALA 26 HB3 ALA 26 6.429 -4.888 5.693 208 H GLU 27 H GLU 27 5.207 -7.774 7.245 209 HA GLU 27 HA GLU 27 7.256 -7.023 9.066 210 HB2 GLU 27 HB2 GLU 27 4.877 -8.802 9.121 211 HB3 GLU 27 HB3 GLU 27 6.097 -9.096 10.353 212 HG2 GLU 27 HG2 GLU 27 5.752 -6.340 10.351 213 HG3 GLU 27 HG3 GLU 27 4.128 -6.999 10.171 214 H LYS 28 H LYS 28 6.460 -10.291 7.802 215 HA LYS 28 HA LYS 28 8.604 -11.676 8.926 216 HB2 LYS 28 HB2 LYS 28 6.838 -12.030 6.593 217 HB3 LYS 28 HB3 LYS 28 8.377 -12.871 6.464 218 HG2 LYS 28 HG2 LYS 28 7.581 -14.491 7.737 219 HG3 LYS 28 HG3 LYS 28 7.391 -13.344 9.065 220 HD2 LYS 28 HD2 LYS 28 5.219 -12.760 7.534 221 HD3 LYS 28 HD3 LYS 28 5.383 -14.495 7.258 222 HE2 LYS 28 HE2 LYS 28 5.678 -14.520 9.885 223 HE3 LYS 28 HE3 LYS 28 4.775 -13.011 9.764 224 HZ1 LYS 28 HZ1 LYS 28 3.866 -15.566 8.561 225 HZ2 LYS 28 HZ2 LYS 28 2.981 -14.133 8.714 226 HZ3 LYS 28 HZ3 LYS 28 3.384 -15.029 10.091 227 H ALA 29 H ALA 29 8.519 -9.972 5.776 228 HA ALA 29 HA ALA 29 11.216 -10.582 5.065 229 HB1 ALA 29 HB1 ALA 29 9.224 -8.514 4.213 230 HB2 ALA 29 HB2 ALA 29 10.894 -8.406 3.656 231 HB3 ALA 29 HB3 ALA 29 9.935 -9.840 3.293 232 H PHE 30 H PHE 30 9.827 -7.532 6.371 233 HA PHE 30 HA PHE 30 12.237 -6.150 6.705 234 HB2 PHE 30 HB2 PHE 30 9.567 -6.064 8.043 235 HB3 PHE 30 HB3 PHE 30 10.889 -5.179 8.797 236 HD1 PHE 30 HD2 PHE 30 12.369 -3.924 6.810 237 HD2 PHE 30 HD1 PHE 30 8.190 -4.730 6.805 238 HE1 PHE 30 HE2 PHE 30 12.015 -2.060 5.244 239 HE2 PHE 30 HE1 PHE 30 7.829 -2.867 5.238 240 HZ PHE 30 HZ PHE 30 9.743 -1.529 4.456 241 H LYS 31 H LYS 31 10.788 -8.656 8.722 242 HA LYS 31 HA LYS 31 12.488 -8.280 10.999 243 HB2 LYS 31 HB2 LYS 31 10.941 -10.660 9.954 244 HB3 LYS 31 HB3 LYS 31 11.863 -10.717 11.451 245 HG2 LYS 31 HG2 LYS 31 10.159 -8.406 11.421 246 HG3 LYS 31 HG3 LYS 31 9.225 -9.869 11.100 247 HD2 LYS 31 HD2 LYS 31 10.071 -10.900 13.114 248 HD3 LYS 31 HD3 LYS 31 11.140 -9.526 13.408 249 HE2 LYS 31 HE2 LYS 31 9.401 -8.988 14.794 250 HE3 LYS 31 HE3 LYS 31 8.880 -8.179 13.317 251 HZ1 LYS 31 HZ1 LYS 31 7.030 -9.359 14.137 252 HZ2 LYS 31 HZ2 LYS 31 7.927 -10.768 14.396 253 HZ3 LYS 31 HZ3 LYS 31 7.594 -10.256 12.818 254 H GLN 32 H GLN 32 12.840 -10.063 7.969 255 HA GLN 32 HA GLN 32 15.081 -11.649 8.719 256 HB2 GLN 32 HB2 GLN 32 13.571 -11.174 6.392 257 HB3 GLN 32 HB3 GLN 32 15.230 -10.784 5.959 258 HG2 GLN 32 HG2 GLN 32 15.828 -12.921 5.921 259 HG3 GLN 32 HG3 GLN 32 15.047 -13.250 7.467 260 HE21 GLN 32 HE21 GLN 32 12.458 -12.831 7.026 261 HE22 GLN 32 HE22 GLN 32 11.849 -13.886 5.800 262 H TYR 33 H TYR 33 14.904 -8.436 7.144 263 HA TYR 33 HA TYR 33 17.658 -8.020 6.797 264 HB2 TYR 33 HB2 TYR 33 15.615 -6.566 6.109 265 HB3 TYR 33 HB3 TYR 33 15.827 -5.793 7.676 266 HD1 TYR 33 HD1 TYR 33 17.993 -6.841 4.806 267 HD2 TYR 33 HD2 TYR 33 17.030 -3.833 7.657 268 HE1 TYR 33 HE1 TYR 33 19.723 -5.383 3.843 269 HE2 TYR 33 HE2 TYR 33 18.757 -2.366 6.702 270 HH TYR 33 HH TYR 33 21.015 -3.505 4.305 271 H ALA 34 H ALA 34 15.618 -7.381 9.654 272 HA ALA 34 HA ALA 34 17.690 -6.169 11.214 273 HB1 ALA 34 HB1 ALA 34 15.802 -7.574 12.864 274 HB2 ALA 34 HB2 ALA 34 15.988 -5.839 12.604 275 HB3 ALA 34 HB3 ALA 34 14.962 -6.786 11.527 276 H ASN 35 H ASN 35 16.285 -9.473 11.439 277 HA ASN 35 HA ASN 35 18.095 -10.501 13.309 278 HB2 ASN 35 HB2 ASN 35 16.367 -11.654 11.182 279 HB3 ASN 35 HB3 ASN 35 17.643 -12.699 11.800 280 HD21 ASN 35 HD21 ASN 35 15.904 -14.024 12.581 281 HD22 ASN 35 HD22 ASN 35 15.133 -13.633 14.077 282 H ASP 36 H ASP 36 18.368 -10.481 9.741 283 HA ASP 36 HA ASP 36 20.784 -11.897 9.520 284 HB2 ASP 36 HB2 ASP 36 19.348 -9.874 7.879 285 HB3 ASP 36 HB3 ASP 36 21.051 -10.119 7.503 286 H ASN 37 H ASN 37 20.208 -8.481 10.290 287 HA ASN 37 HA ASN 37 23.129 -8.003 10.408 288 HB2 ASN 37 HB2 ASN 37 20.691 -6.232 10.568 289 HB3 ASN 37 HB3 ASN 37 22.277 -5.640 11.051 290 HD21 ASN 37 HD21 ASN 37 20.264 -6.630 8.423 291 HD22 ASN 37 HD22 ASN 37 21.309 -6.108 7.150 292 H GLY 38 H GLY 38 21.311 -9.651 12.340 293 HA2 GLY 38 HA2 GLY 38 21.331 -10.066 14.615 294 HA3 GLY 38 HA3 GLY 38 22.831 -9.154 14.679 295 H VAL 39 H VAL 39 20.103 -7.479 13.424 296 HA VAL 39 HA VAL 39 20.058 -5.834 15.894 297 HB VAL 39 HB VAL 39 18.859 -5.341 13.155 298 HG11 VAL 39 HG11 VAL 39 17.544 -3.858 14.168 299 HG12 VAL 39 HG12 VAL 39 18.358 -4.096 15.716 300 HG13 VAL 39 HG13 VAL 39 19.001 -2.940 14.548 301 HG21 VAL 39 HG21 VAL 39 20.602 -3.610 12.991 302 HG22 VAL 39 HG22 VAL 39 21.258 -4.143 14.538 303 HG23 VAL 39 HG23 VAL 39 21.282 -5.229 13.150 304 H ASP 40 H ASP 40 18.639 -6.349 17.408 305 HA ASP 40 HA ASP 40 15.888 -7.089 16.512 306 HB2 ASP 40 HB2 ASP 40 17.162 -9.112 17.257 307 HB3 ASP 40 HB3 ASP 40 17.356 -8.365 18.841 308 H GLY 41 H GLY 41 14.226 -6.773 18.199 309 HA2 GLY 41 HA2 GLY 41 14.615 -5.418 20.608 310 HA3 GLY 41 HA3 GLY 41 14.558 -4.161 19.382 311 H VAL 42 H VAL 42 12.656 -3.221 20.030 312 HA VAL 42 HA VAL 42 10.259 -4.984 20.098 313 HB VAL 42 HB VAL 42 9.102 -2.957 20.988 314 HG11 VAL 42 HG11 VAL 42 9.622 -4.219 22.782 315 HG12 VAL 42 HG12 VAL 42 11.313 -4.386 22.307 316 HG13 VAL 42 HG13 VAL 42 10.764 -2.917 23.116 317 HG21 VAL 42 HG21 VAL 42 11.488 -1.680 20.107 318 HG22 VAL 42 HG22 VAL 42 10.033 -0.951 20.789 319 HG23 VAL 42 HG23 VAL 42 11.346 -1.460 21.851 320 H TRP 43 H TRP 43 9.057 -5.191 18.349 321 HA TRP 43 HA TRP 43 9.359 -3.229 16.165 322 HB2 TRP 43 HB2 TRP 43 7.820 -5.837 16.352 323 HB3 TRP 43 HB3 TRP 43 7.924 -4.839 14.904 324 HD1 TRP 43 HD1 TRP 43 10.154 -7.006 17.184 325 HE1 TRP 43 HE1 TRP 43 12.198 -7.770 15.819 326 HE3 TRP 43 HE3 TRP 43 9.317 -4.336 12.905 327 HZ2 TRP 43 HZ2 TRP 43 13.308 -7.303 13.266 328 HZ3 TRP 43 HZ3 TRP 43 10.918 -4.551 11.049 329 HH2 TRP 43 HH2 TRP 43 12.872 -6.004 11.228 330 H THR 44 H THR 44 7.833 -1.838 15.434 331 HA THR 44 HA THR 44 5.110 -1.976 16.569 332 HB THR 44 HB THR 44 5.194 0.456 17.213 333 HG1 THR 44 HG1 THR 44 7.412 0.553 16.030 334 HG21 THR 44 HG21 THR 44 6.232 0.066 19.385 335 HG22 THR 44 HG22 THR 44 7.049 -1.363 18.754 336 HG23 THR 44 HG23 THR 44 5.291 -1.340 18.891 337 H TYR 45 H TYR 45 3.575 -0.640 15.475 338 HA TYR 45 HA TYR 45 4.354 1.000 13.233 339 HB2 TYR 45 HB2 TYR 45 3.794 -0.359 11.398 340 HB3 TYR 45 HB3 TYR 45 4.753 -1.419 12.426 341 HD1 TYR 45 HD2 TYR 45 3.070 -2.559 14.338 342 HD2 TYR 45 HD1 TYR 45 2.065 -1.455 10.354 343 HE1 TYR 45 HE2 TYR 45 1.244 -4.207 14.349 344 HE2 TYR 45 HE1 TYR 45 0.235 -3.100 10.354 345 HH TYR 45 HH TYR 45 -1.235 -4.216 12.291 346 H ASP 46 H ASP 46 2.625 2.115 12.318 347 HA ASP 46 HA ASP 46 0.019 1.639 13.712 348 HB2 ASP 46 HB2 ASP 46 0.762 3.709 14.521 349 HB3 ASP 46 HB3 ASP 46 1.457 4.180 12.972 350 H ASP 47 H ASP 47 -1.648 1.115 12.479 351 HA ASP 47 HA ASP 47 -1.515 0.601 9.757 352 HB2 ASP 47 HB2 ASP 47 -3.401 -0.253 10.826 353 HB3 ASP 47 HB3 ASP 47 -3.798 1.285 11.589 354 H ALA 48 H ALA 48 -2.529 3.635 11.341 355 HA ALA 48 HA ALA 48 -3.380 5.058 9.087 356 HB1 ALA 48 HB1 ALA 48 -3.503 6.763 10.524 357 HB2 ALA 48 HB2 ALA 48 -2.905 5.638 11.744 358 HB3 ALA 48 HB3 ALA 48 -1.780 6.696 10.892 359 H THR 49 H THR 49 -0.069 4.556 10.304 360 HA THR 49 HA THR 49 0.936 5.901 7.829 361 HB THR 49 HB THR 49 1.702 6.824 10.038 362 HG1 THR 49 HG1 THR 49 2.983 7.062 8.147 363 HG21 THR 49 HG21 THR 49 2.675 5.570 11.622 364 HG22 THR 49 HG22 THR 49 3.678 4.715 10.449 365 HG23 THR 49 HG23 THR 49 2.023 4.185 10.746 366 H LYS 50 H LYS 50 3.397 4.965 7.516 367 HA LYS 50 HA LYS 50 3.220 1.996 7.542 368 HB2 LYS 50 HB2 LYS 50 3.906 3.622 5.077 369 HB3 LYS 50 HB3 LYS 50 3.900 1.868 5.197 370 HG2 LYS 50 HG2 LYS 50 1.802 1.904 4.494 371 HG3 LYS 50 HG3 LYS 50 1.360 2.658 6.027 372 HD2 LYS 50 HD2 LYS 50 2.420 4.360 3.816 373 HD3 LYS 50 HD3 LYS 50 0.746 3.803 3.749 374 HE2 LYS 50 HE2 LYS 50 0.529 4.708 6.122 375 HE3 LYS 50 HE3 LYS 50 2.067 5.519 5.835 376 HZ1 LYS 50 HZ1 LYS 50 0.754 7.150 5.073 377 HZ2 LYS 50 HZ2 LYS 50 -0.564 6.127 4.794 378 HZ3 LYS 50 HZ3 LYS 50 0.686 6.223 3.659 379 H THR 51 H THR 51 4.728 3.765 9.189 380 HA THR 51 HA THR 51 7.482 3.118 8.205 381 HB THR 51 HB THR 51 7.127 5.546 8.216 382 HG1 THR 51 HG1 THR 51 9.125 4.355 9.162 383 HG21 THR 51 HG21 THR 51 5.633 5.047 10.528 384 HG22 THR 51 HG22 THR 51 5.994 6.618 9.811 385 HG23 THR 51 HG23 THR 51 7.041 5.960 11.069 386 H PHE 52 H PHE 52 8.674 1.842 9.459 387 HA PHE 52 HA PHE 52 7.705 1.413 12.257 388 HB2 PHE 52 HB2 PHE 52 9.380 -0.616 10.816 389 HB3 PHE 52 HB3 PHE 52 8.186 -0.850 12.089 390 HD1 PHE 52 HD1 PHE 52 5.835 0.493 11.028 391 HD2 PHE 52 HD2 PHE 52 8.714 -1.936 9.046 392 HE1 PHE 52 HE1 PHE 52 4.153 -0.116 9.338 393 HE2 PHE 52 HE2 PHE 52 7.037 -2.548 7.353 394 HZ PHE 52 HZ PHE 52 4.754 -1.637 7.497 395 H THR 53 H THR 53 9.385 0.722 13.813 396 HA THR 53 HA THR 53 12.085 1.775 13.114 397 HB THR 53 HB THR 53 10.604 2.497 15.660 398 HG1 THR 53 HG1 THR 53 9.912 4.171 14.581 399 HG21 THR 53 HG21 THR 53 12.528 4.036 15.987 400 HG22 THR 53 HG22 THR 53 13.311 3.298 14.589 401 HG23 THR 53 HG23 THR 53 12.985 2.334 16.029 402 H VAL 54 H VAL 54 13.615 0.366 13.609 403 HA VAL 54 HA VAL 54 12.993 -1.642 15.740 404 HB VAL 54 HB VAL 54 14.777 -1.893 13.306 405 HG11 VAL 54 HG11 VAL 54 14.340 -3.773 15.619 406 HG12 VAL 54 HG12 VAL 54 15.068 -4.254 14.085 407 HG13 VAL 54 HG13 VAL 54 15.858 -3.043 15.097 408 HG21 VAL 54 HG21 VAL 54 12.318 -2.086 12.949 409 HG22 VAL 54 HG22 VAL 54 13.216 -3.552 12.555 410 HG23 VAL 54 HG23 VAL 54 12.311 -3.452 14.065 411 H THR 55 H THR 55 13.974 -1.137 17.577 412 HA THR 55 HA THR 55 16.690 0.093 17.414 413 HB THR 55 HB THR 55 14.916 1.331 18.682 414 HG1 THR 55 HG1 THR 55 16.501 2.029 19.905 415 HG21 THR 55 HG21 THR 55 14.388 -1.198 19.773 416 HG22 THR 55 HG22 THR 55 13.648 0.337 20.224 417 HG23 THR 55 HG23 THR 55 15.071 -0.243 21.088 418 H GLU 56 H GLU 56 18.024 -0.448 19.505 419 HA GLU 56 HA GLU 56 18.092 -3.428 19.625 420 HB2 GLU 56 HB2 GLU 56 20.175 -1.280 19.930 421 HB3 GLU 56 HB3 GLU 56 20.441 -2.871 20.629 422 HG2 GLU 56 HG2 GLU 56 19.591 -3.362 18.024 423 HG3 GLU 56 HG3 GLU 56 20.699 -1.997 17.900 Start of MODEL 18 1 H1 MET 1 H MET 1 1.232 -0.652 1.199 2 HA MET 1 HA MET 1 1.479 -1.530 -1.217 3 HB2 MET 1 HB2 MET 1 2.014 1.411 -1.628 4 HB3 MET 1 HB3 MET 1 1.994 0.146 -2.849 5 HG2 MET 1 HG2 MET 1 -0.395 -0.143 -2.542 6 HG3 MET 1 HG3 MET 1 -0.392 1.074 -1.268 7 HE1 MET 1 HE1 MET 1 1.102 1.157 -5.220 8 HE2 MET 1 HE2 MET 1 -0.243 0.102 -4.785 9 HE3 MET 1 HE3 MET 1 -0.537 1.564 -5.728 10 H GLN 2 H GLN 2 3.264 1.386 -0.148 11 HA GLN 2 HA GLN 2 5.683 -0.361 0.055 12 HB2 GLN 2 HB2 GLN 2 6.887 1.919 -0.214 13 HB3 GLN 2 HB3 GLN 2 6.171 1.172 -1.636 14 HG2 GLN 2 HG2 GLN 2 4.244 2.631 -1.466 15 HG3 GLN 2 HG3 GLN 2 4.895 3.347 0.007 16 HE21 GLN 2 HE21 GLN 2 5.567 5.320 -0.406 17 HE22 GLN 2 HE22 GLN 2 6.475 5.821 -1.787 18 H TYR 3 H TYR 3 6.692 -0.536 1.947 19 HA TYR 3 HA TYR 3 5.813 1.335 4.112 20 HB2 TYR 3 HB2 TYR 3 6.873 -1.483 4.459 21 HB3 TYR 3 HB3 TYR 3 6.148 -0.455 5.690 22 HD1 TYR 3 HD1 TYR 3 5.455 -2.446 2.658 23 HD2 TYR 3 HD2 TYR 3 3.781 -0.314 5.938 24 HE1 TYR 3 HE1 TYR 3 3.250 -3.410 2.152 25 HE2 TYR 3 HE2 TYR 3 1.572 -1.273 5.442 26 HH TYR 3 HH TYR 3 0.392 -2.232 3.430 27 H LYS 4 H LYS 4 7.456 1.460 5.950 28 HA LYS 4 HA LYS 4 10.211 1.564 4.788 29 HB2 LYS 4 HB2 LYS 4 8.683 3.770 5.416 30 HB3 LYS 4 HB3 LYS 4 9.623 3.542 6.885 31 HG2 LYS 4 HG2 LYS 4 11.683 3.660 5.633 32 HG3 LYS 4 HG3 LYS 4 10.787 3.762 4.116 33 HD2 LYS 4 HD2 LYS 4 11.231 5.982 4.482 34 HD3 LYS 4 HD3 LYS 4 9.673 5.834 5.298 35 HE2 LYS 4 HE2 LYS 4 10.567 6.228 7.315 36 HE3 LYS 4 HE3 LYS 4 11.957 5.191 7.003 37 HZ1 LYS 4 HZ1 LYS 4 13.201 6.918 6.344 38 HZ2 LYS 4 HZ2 LYS 4 12.086 7.852 7.206 39 HZ3 LYS 4 HZ3 LYS 4 11.930 7.683 5.531 40 H LEU 5 H LEU 5 11.950 1.266 6.241 41 HA LEU 5 HA LEU 5 11.213 0.339 8.965 42 HB2 LEU 5 HB2 LEU 5 11.259 -1.748 8.009 43 HB3 LEU 5 HB3 LEU 5 12.443 -1.287 6.787 44 HG LEU 5 HG LEU 5 14.223 -1.398 8.442 45 HD11 LEU 5 HD11 LEU 5 11.937 -1.824 10.310 46 HD12 LEU 5 HD12 LEU 5 13.362 -0.801 10.488 47 HD13 LEU 5 HD13 LEU 5 13.504 -2.549 10.669 48 HD21 LEU 5 HD21 LEU 5 13.389 -3.438 7.178 49 HD22 LEU 5 HD22 LEU 5 12.591 -3.912 8.678 50 HD23 LEU 5 HD23 LEU 5 14.346 -3.741 8.628 51 H VAL 6 H VAL 6 12.375 1.523 10.308 52 HA VAL 6 HA VAL 6 15.070 2.426 9.419 53 HB VAL 6 HB VAL 6 13.363 3.361 11.742 54 HG11 VAL 6 HG11 VAL 6 15.020 5.219 11.853 55 HG12 VAL 6 HG12 VAL 6 15.677 3.642 12.297 56 HG13 VAL 6 HG13 VAL 6 16.024 4.328 10.709 57 HG21 VAL 6 HG21 VAL 6 13.917 4.540 9.027 58 HG22 VAL 6 HG22 VAL 6 12.358 4.062 9.698 59 HG23 VAL 6 HG23 VAL 6 13.214 5.453 10.362 60 H ILE 7 H ILE 7 16.925 2.002 10.544 61 HA ILE 7 HA ILE 7 16.639 -0.080 12.671 62 HB ILE 7 HB ILE 7 18.984 0.495 10.841 63 HG12 ILE 7 HG12 ILE 7 17.481 -2.087 10.906 64 HG13 ILE 7 HG13 ILE 7 16.771 -0.722 10.052 65 HG21 ILE 7 HG21 ILE 7 19.931 -1.580 11.821 66 HG22 ILE 7 HG22 ILE 7 19.794 -0.253 12.974 67 HG23 ILE 7 HG23 ILE 7 18.623 -1.572 13.004 68 HD11 ILE 7 HD11 ILE 7 18.306 -2.456 8.826 69 HD12 ILE 7 HD12 ILE 7 18.364 -0.740 8.422 70 HD13 ILE 7 HD13 ILE 7 19.593 -1.441 9.474 71 H ASN 8 H ASN 8 16.409 1.287 14.436 72 HA ASN 8 HA ASN 8 18.564 3.265 14.908 73 HB2 ASN 8 HB2 ASN 8 15.897 3.386 15.406 74 HB3 ASN 8 HB3 ASN 8 16.479 2.820 16.970 75 HD21 ASN 8 HD21 ASN 8 18.659 4.057 17.539 76 HD22 ASN 8 HD22 ASN 8 18.506 5.777 17.471 77 H GLY 9 H GLY 9 19.784 0.938 14.896 78 HA2 GLY 9 HA2 GLY 9 19.745 -0.285 17.562 79 HA3 GLY 9 HA3 GLY 9 20.772 -0.738 16.211 80 H LYS 10 H LYS 10 22.467 -0.925 17.822 81 HA LYS 10 HA LYS 10 23.387 1.603 19.022 82 HB2 LYS 10 HB2 LYS 10 23.578 -1.068 19.744 83 HB3 LYS 10 HB3 LYS 10 25.202 -0.689 19.188 84 HG2 LYS 10 HG2 LYS 10 25.119 -0.300 21.532 85 HG3 LYS 10 HG3 LYS 10 25.196 1.270 20.729 86 HD2 LYS 10 HD2 LYS 10 22.551 1.035 20.878 87 HD3 LYS 10 HD3 LYS 10 22.979 0.014 22.253 88 HE2 LYS 10 HE2 LYS 10 23.001 1.947 23.396 89 HE3 LYS 10 HE3 LYS 10 24.591 2.161 22.665 90 HZ1 LYS 10 HZ1 LYS 10 22.467 3.044 20.960 91 HZ2 LYS 10 HZ2 LYS 10 23.863 3.861 21.454 92 HZ3 LYS 10 HZ3 LYS 10 22.486 3.870 22.437 93 H THR 11 H THR 11 24.665 -0.864 16.752 94 HA THR 11 HA THR 11 26.532 1.247 15.739 95 HB THR 11 HB THR 11 27.111 -1.563 15.033 96 HG1 THR 11 HG1 THR 11 26.713 -2.109 17.091 97 HG21 THR 11 HG21 THR 11 29.254 -0.222 16.323 98 HG22 THR 11 HG22 THR 11 28.456 0.937 15.260 99 HG23 THR 11 HG23 THR 11 29.065 -0.584 14.608 100 H LEU 12 H LEU 12 23.756 0.893 14.927 101 HA LEU 12 HA LEU 12 24.277 0.598 12.039 102 HB2 LEU 12 HB2 LEU 12 23.220 -1.538 13.455 103 HB3 LEU 12 HB3 LEU 12 21.799 -0.749 12.774 104 HG LEU 12 HG LEU 12 22.689 -1.012 10.534 105 HD11 LEU 12 HD11 LEU 12 25.003 -0.814 10.739 106 HD12 LEU 12 HD12 LEU 12 24.758 -2.509 10.316 107 HD13 LEU 12 HD13 LEU 12 25.094 -2.057 11.987 108 HD21 LEU 12 HD21 LEU 12 22.546 -3.438 12.287 109 HD22 LEU 12 HD22 LEU 12 22.867 -3.585 10.558 110 HD23 LEU 12 HD23 LEU 12 21.371 -2.835 11.117 111 H LYS 13 H LYS 13 23.325 2.192 10.974 112 HA LYS 13 HA LYS 13 20.738 3.237 11.982 113 HB2 LYS 13 HB2 LYS 13 23.278 4.833 11.672 114 HB3 LYS 13 HB3 LYS 13 21.700 5.598 11.527 115 HG2 LYS 13 HG2 LYS 13 22.009 5.942 13.732 116 HG3 LYS 13 HG3 LYS 13 21.336 4.314 13.842 117 HD2 LYS 13 HD2 LYS 13 23.378 3.357 14.302 118 HD3 LYS 13 HD3 LYS 13 24.281 4.642 13.497 119 HE2 LYS 13 HE2 LYS 13 22.713 5.453 15.859 120 HE3 LYS 13 HE3 LYS 13 24.079 4.386 16.177 121 HZ1 LYS 13 HZ1 LYS 13 25.106 6.223 14.470 122 HZ2 LYS 13 HZ2 LYS 13 25.284 6.244 16.151 123 HZ3 LYS 13 HZ3 LYS 13 24.061 7.155 15.419 124 H GLY 14 H GLY 14 19.579 2.592 10.237 125 HA2 GLY 14 HA2 GLY 14 20.016 4.120 7.782 126 HA3 GLY 14 HA3 GLY 14 20.293 2.394 7.602 127 H GLU 15 H GLU 15 18.466 3.116 5.978 128 HA GLU 15 HA GLU 15 15.957 2.200 7.273 129 HB2 GLU 15 HB2 GLU 15 15.786 4.451 5.297 130 HB3 GLU 15 HB3 GLU 15 14.642 3.969 6.542 131 HG2 GLU 15 HG2 GLU 15 16.161 4.829 8.260 132 HG3 GLU 15 HG3 GLU 15 17.283 5.338 7.000 133 H THR 16 H THR 16 14.348 1.423 5.747 134 HA THR 16 HA THR 16 15.310 0.946 2.995 135 HB THR 16 HB THR 16 16.218 -0.942 4.393 136 HG1 THR 16 HG1 THR 16 15.592 -2.479 2.863 137 HG21 THR 16 HG21 THR 16 14.685 -2.643 5.208 138 HG22 THR 16 HG22 THR 16 13.304 -1.689 4.667 139 HG23 THR 16 HG23 THR 16 14.330 -1.095 5.974 140 H THR 17 H THR 17 13.583 -0.672 1.923 141 HA THR 17 HA THR 17 10.867 -0.029 2.916 142 HB THR 17 HB THR 17 10.123 0.811 0.737 143 HG1 THR 17 HG1 THR 17 11.679 -0.169 -0.606 144 HG21 THR 17 HG21 THR 17 11.092 2.328 2.556 145 HG22 THR 17 HG22 THR 17 10.962 3.001 0.931 146 HG23 THR 17 HG23 THR 17 12.522 2.439 1.531 147 H THR 18 H THR 18 9.162 -1.132 1.577 148 HA THR 18 HA THR 18 10.091 -3.429 0.001 149 HB THR 18 HB THR 18 10.237 -4.155 2.433 150 HG1 THR 18 HG1 THR 18 10.029 -5.702 0.794 151 HG21 THR 18 HG21 THR 18 8.299 -4.517 3.706 152 HG22 THR 18 HG22 THR 18 7.237 -4.299 2.314 153 HG23 THR 18 HG23 THR 18 8.069 -2.911 3.016 154 H LYS 19 H LYS 19 7.931 -4.974 -0.180 155 HA LYS 19 HA LYS 19 5.568 -3.224 -0.543 156 HB2 LYS 19 HB2 LYS 19 6.638 -4.912 -2.818 157 HB3 LYS 19 HB3 LYS 19 5.264 -3.814 -2.857 158 HG2 LYS 19 HG2 LYS 19 6.883 -2.563 -3.891 159 HG3 LYS 19 HG3 LYS 19 7.036 -2.015 -2.220 160 HD2 LYS 19 HD2 LYS 19 9.198 -2.540 -2.360 161 HD3 LYS 19 HD3 LYS 19 8.701 -4.234 -2.376 162 HE2 LYS 19 HE2 LYS 19 8.774 -2.619 -4.900 163 HE3 LYS 19 HE3 LYS 19 10.236 -3.369 -4.262 164 HZ1 LYS 19 HZ1 LYS 19 8.114 -4.556 -5.710 165 HZ2 LYS 19 HZ2 LYS 19 8.284 -5.322 -4.212 166 HZ3 LYS 19 HZ3 LYS 19 9.604 -5.223 -5.266 167 H ALA 20 H ALA 20 4.155 -4.277 0.701 168 HA ALA 20 HA ALA 20 3.767 -7.181 0.110 169 HB1 ALA 20 HB1 ALA 20 3.580 -5.916 2.850 170 HB2 ALA 20 HB2 ALA 20 3.343 -7.618 2.452 171 HB3 ALA 20 HB3 ALA 20 4.936 -6.883 2.270 172 H VAL 21 H VAL 21 1.611 -7.998 0.641 173 HA VAL 21 HA VAL 21 -0.407 -5.981 -0.110 174 HB VAL 21 HB VAL 21 -0.914 -8.911 0.410 175 HG11 VAL 21 HG11 VAL 21 -2.954 -7.851 0.137 176 HG12 VAL 21 HG12 VAL 21 -2.316 -6.703 -1.042 177 HG13 VAL 21 HG13 VAL 21 -2.586 -8.385 -1.502 178 HG21 VAL 21 HG21 VAL 21 0.362 -7.594 -1.954 179 HG22 VAL 21 HG22 VAL 21 0.806 -9.091 -1.135 180 HG23 VAL 21 HG23 VAL 21 -0.626 -9.041 -2.163 181 H ASP 22 H ASP 22 0.957 -6.822 2.722 182 HA ASP 22 HA ASP 22 -1.062 -5.642 4.321 183 HB2 ASP 22 HB2 ASP 22 -1.551 -7.871 5.641 184 HB3 ASP 22 HB3 ASP 22 -2.505 -7.450 4.221 185 H ALA 23 H ALA 23 -0.487 -5.484 6.535 186 HA ALA 23 HA ALA 23 2.243 -5.256 7.053 187 HB1 ALA 23 HB1 ALA 23 0.075 -4.548 8.402 188 HB2 ALA 23 HB2 ALA 23 0.470 -5.996 9.329 189 HB3 ALA 23 HB3 ALA 23 1.649 -4.692 9.185 190 H GLU 24 H GLU 24 0.092 -8.025 7.744 191 HA GLU 24 HA GLU 24 1.856 -9.628 9.193 192 HB2 GLU 24 HB2 GLU 24 -0.003 -10.652 7.035 193 HB3 GLU 24 HB3 GLU 24 0.553 -11.516 8.461 194 HG2 GLU 24 HG2 GLU 24 -0.702 -9.118 9.312 195 HG3 GLU 24 HG3 GLU 24 -1.760 -9.919 8.152 196 H THR 25 H THR 25 1.735 -9.034 5.709 197 HA THR 25 HA THR 25 3.823 -11.041 5.192 198 HB THR 25 HB THR 25 2.387 -9.059 3.412 199 HG1 THR 25 HG1 THR 25 1.313 -10.836 2.729 200 HG21 THR 25 HG21 THR 25 3.541 -10.298 1.538 201 HG22 THR 25 HG22 THR 25 4.634 -10.958 2.755 202 HG23 THR 25 HG23 THR 25 4.569 -9.217 2.478 203 H ALA 26 H ALA 26 3.479 -7.481 4.892 204 HA ALA 26 HA ALA 26 6.111 -6.916 4.094 205 HB1 ALA 26 HB1 ALA 26 3.864 -5.452 5.181 206 HB2 ALA 26 HB2 ALA 26 5.394 -4.817 5.787 207 HB3 ALA 26 HB3 ALA 26 5.112 -4.927 4.050 208 H GLU 27 H GLU 27 4.812 -6.790 7.447 209 HA GLU 27 HA GLU 27 7.247 -6.294 8.743 210 HB2 GLU 27 HB2 GLU 27 5.168 -6.182 9.944 211 HB3 GLU 27 HB3 GLU 27 4.836 -7.883 9.650 212 HG2 GLU 27 HG2 GLU 27 6.728 -8.504 11.055 213 HG3 GLU 27 HG3 GLU 27 7.078 -6.800 11.341 214 H LYS 28 H LYS 28 6.009 -9.262 7.355 215 HA LYS 28 HA LYS 28 7.837 -11.027 8.732 216 HB2 LYS 28 HB2 LYS 28 5.642 -11.594 7.495 217 HB3 LYS 28 HB3 LYS 28 6.611 -11.564 6.027 218 HG2 LYS 28 HG2 LYS 28 6.801 -13.763 6.486 219 HG3 LYS 28 HG3 LYS 28 8.133 -13.192 7.494 220 HD2 LYS 28 HD2 LYS 28 7.082 -13.758 9.392 221 HD3 LYS 28 HD3 LYS 28 5.535 -13.118 8.832 222 HE2 LYS 28 HE2 LYS 28 6.382 -15.549 7.445 223 HE3 LYS 28 HE3 LYS 28 6.135 -15.770 9.177 224 HZ1 LYS 28 HZ1 LYS 28 4.181 -15.907 7.375 225 HZ2 LYS 28 HZ2 LYS 28 4.069 -14.273 7.797 226 HZ3 LYS 28 HZ3 LYS 28 3.930 -15.467 8.989 227 H ALA 29 H ALA 29 7.914 -9.206 5.694 228 HA ALA 29 HA ALA 29 10.355 -10.460 4.752 229 HB1 ALA 29 HB1 ALA 29 9.237 -7.786 3.908 230 HB2 ALA 29 HB2 ALA 29 10.290 -8.863 2.990 231 HB3 ALA 29 HB3 ALA 29 8.622 -9.330 3.317 232 H PHE 30 H PHE 30 9.566 -7.809 6.881 233 HA PHE 30 HA PHE 30 12.152 -6.510 6.686 234 HB2 PHE 30 HB2 PHE 30 9.835 -6.323 8.612 235 HB3 PHE 30 HB3 PHE 30 11.336 -5.448 8.896 236 HD1 PHE 30 HD1 PHE 30 12.082 -4.592 6.207 237 HD2 PHE 30 HD2 PHE 30 8.262 -4.718 8.079 238 HE1 PHE 30 HE1 PHE 30 11.304 -2.780 4.735 239 HE2 PHE 30 HE2 PHE 30 7.478 -2.906 6.611 240 HZ PHE 30 HZ PHE 30 9.000 -1.935 4.935 241 H LYS 31 H LYS 31 10.779 -9.127 8.567 242 HA LYS 31 HA LYS 31 12.745 -9.133 10.661 243 HB2 LYS 31 HB2 LYS 31 10.776 -11.121 9.572 244 HB3 LYS 31 HB3 LYS 31 11.999 -11.660 10.715 245 HG2 LYS 31 HG2 LYS 31 10.409 -9.252 11.410 246 HG3 LYS 31 HG3 LYS 31 9.623 -10.829 11.501 247 HD2 LYS 31 HD2 LYS 31 11.411 -11.627 12.978 248 HD3 LYS 31 HD3 LYS 31 12.184 -10.042 12.892 249 HE2 LYS 31 HE2 LYS 31 10.984 -10.012 14.905 250 HE3 LYS 31 HE3 LYS 31 9.979 -9.109 13.773 251 HZ1 LYS 31 HZ1 LYS 31 8.871 -10.859 15.247 252 HZ2 LYS 31 HZ2 LYS 31 9.556 -11.998 14.202 253 HZ3 LYS 31 HZ3 LYS 31 8.472 -10.845 13.603 254 H GLN 32 H GLN 32 12.960 -9.862 7.353 255 HA GLN 32 HA GLN 32 15.086 -11.870 7.667 256 HB2 GLN 32 HB2 GLN 32 13.327 -11.010 5.575 257 HB3 GLN 32 HB3 GLN 32 14.984 -10.850 5.009 258 HG2 GLN 32 HG2 GLN 32 14.982 -13.315 6.220 259 HG3 GLN 32 HG3 GLN 32 13.387 -13.233 5.474 260 HE21 GLN 32 HE21 GLN 32 16.606 -12.068 4.537 261 HE22 GLN 32 HE22 GLN 32 16.618 -12.829 2.986 262 H TYR 33 H TYR 33 14.750 -8.482 6.586 263 HA TYR 33 HA TYR 33 17.493 -8.102 5.919 264 HB2 TYR 33 HB2 TYR 33 15.557 -6.587 5.338 265 HB3 TYR 33 HB3 TYR 33 15.600 -5.994 6.995 266 HD1 TYR 33 HD2 TYR 33 18.088 -6.617 4.265 267 HD2 TYR 33 HD1 TYR 33 16.634 -3.958 7.252 268 HE1 TYR 33 HE2 TYR 33 19.800 -4.972 3.626 269 HE2 TYR 33 HE1 TYR 33 18.342 -2.305 6.620 270 HH TYR 33 HH TYR 33 20.980 -3.054 4.637 271 H ALA 34 H ALA 34 15.710 -7.141 8.886 272 HA ALA 34 HA ALA 34 17.962 -6.218 10.319 273 HB1 ALA 34 HB1 ALA 34 16.274 -5.674 11.657 274 HB2 ALA 34 HB2 ALA 34 15.202 -6.835 10.873 275 HB3 ALA 34 HB3 ALA 34 16.230 -7.348 12.211 276 H ASN 35 H ASN 35 16.393 -9.447 10.430 277 HA ASN 35 HA ASN 35 18.218 -10.612 12.252 278 HB2 ASN 35 HB2 ASN 35 16.044 -11.604 11.533 279 HB3 ASN 35 HB3 ASN 35 16.767 -11.998 9.976 280 HD21 ASN 35 HD21 ASN 35 15.962 -14.150 10.798 281 HD22 ASN 35 HD22 ASN 35 17.087 -15.103 11.697 282 H ASP 36 H ASP 36 18.524 -9.861 8.864 283 HA ASP 36 HA ASP 36 20.709 -11.691 8.342 284 HB2 ASP 36 HB2 ASP 36 19.231 -9.614 6.903 285 HB3 ASP 36 HB3 ASP 36 20.948 -9.620 6.509 286 H ASN 37 H ASN 37 20.412 -8.389 9.539 287 HA ASN 37 HA ASN 37 23.388 -8.177 9.571 288 HB2 ASN 37 HB2 ASN 37 21.225 -6.072 9.878 289 HB3 ASN 37 HB3 ASN 37 22.949 -5.753 10.044 290 HD21 ASN 37 HD21 ASN 37 20.347 -6.354 7.877 291 HD22 ASN 37 HD22 ASN 37 21.221 -6.093 6.410 292 H GLY 38 H GLY 38 21.890 -9.872 11.414 293 HA2 GLY 38 HA2 GLY 38 21.707 -10.250 13.694 294 HA3 GLY 38 HA3 GLY 38 23.217 -9.357 13.796 295 H VAL 39 H VAL 39 20.011 -8.167 12.822 296 HA VAL 39 HA VAL 39 20.233 -6.166 15.018 297 HB VAL 39 HB VAL 39 18.308 -6.153 12.682 298 HG11 VAL 39 HG11 VAL 39 19.016 -3.583 13.727 299 HG12 VAL 39 HG12 VAL 39 17.428 -4.349 13.632 300 HG13 VAL 39 HG13 VAL 39 18.458 -4.622 15.038 301 HG21 VAL 39 HG21 VAL 39 19.839 -4.498 11.668 302 HG22 VAL 39 HG22 VAL 39 21.009 -4.832 12.945 303 HG23 VAL 39 HG23 VAL 39 20.561 -6.101 11.806 304 H ASP 40 H ASP 40 19.235 -6.672 16.841 305 HA ASP 40 HA ASP 40 16.531 -7.928 16.613 306 HB2 ASP 40 HB2 ASP 40 18.656 -9.299 17.550 307 HB3 ASP 40 HB3 ASP 40 18.153 -8.504 19.040 308 H GLY 41 H GLY 41 15.054 -6.521 17.262 309 HA2 GLY 41 HA2 GLY 41 15.479 -5.142 19.835 310 HA3 GLY 41 HA3 GLY 41 15.285 -4.109 18.427 311 H VAL 42 H VAL 42 13.396 -3.190 19.314 312 HA VAL 42 HA VAL 42 11.090 -5.059 19.557 313 HB VAL 42 HB VAL 42 11.468 -3.511 21.433 314 HG11 VAL 42 HG11 VAL 42 12.480 -1.685 20.091 315 HG12 VAL 42 HG12 VAL 42 10.872 -1.294 19.478 316 HG13 VAL 42 HG13 VAL 42 11.225 -1.130 21.199 317 HG21 VAL 42 HG21 VAL 42 9.102 -4.120 20.248 318 HG22 VAL 42 HG22 VAL 42 9.259 -3.285 21.793 319 HG23 VAL 42 HG23 VAL 42 9.011 -2.359 20.312 320 H TRP 43 H TRP 43 9.503 -5.138 18.105 321 HA TRP 43 HA TRP 43 9.688 -3.259 15.813 322 HB2 TRP 43 HB2 TRP 43 8.106 -5.828 16.146 323 HB3 TRP 43 HB3 TRP 43 8.202 -4.870 14.671 324 HD1 TRP 43 HD1 TRP 43 9.952 -7.602 16.525 325 HE1 TRP 43 HE1 TRP 43 12.092 -8.284 15.268 326 HE3 TRP 43 HE3 TRP 43 10.187 -3.750 13.173 327 HZ2 TRP 43 HZ2 TRP 43 13.671 -7.317 13.138 328 HZ3 TRP 43 HZ3 TRP 43 12.044 -3.702 11.559 329 HH2 TRP 43 HH2 TRP 43 13.749 -5.449 11.544 330 H THR 44 H THR 44 8.350 -1.608 15.587 331 HA THR 44 HA THR 44 5.634 -1.823 16.788 332 HB THR 44 HB THR 44 5.972 0.706 17.383 333 HG1 THR 44 HG1 THR 44 8.153 1.122 18.021 334 HG21 THR 44 HG21 THR 44 7.275 -1.429 19.074 335 HG22 THR 44 HG22 THR 44 5.539 -1.130 18.989 336 HG23 THR 44 HG23 THR 44 6.616 0.106 19.638 337 H TYR 45 H TYR 45 4.053 -1.090 15.511 338 HA TYR 45 HA TYR 45 4.654 0.945 13.466 339 HB2 TYR 45 HB2 TYR 45 4.440 -0.344 11.606 340 HB3 TYR 45 HB3 TYR 45 4.994 -1.623 12.681 341 HD1 TYR 45 HD2 TYR 45 3.450 -3.320 13.496 342 HD2 TYR 45 HD1 TYR 45 2.130 -0.243 10.871 343 HE1 TYR 45 HE2 TYR 45 1.392 -4.591 13.050 344 HE2 TYR 45 HE1 TYR 45 0.069 -1.506 10.418 345 HH TYR 45 HH TYR 45 -0.731 -3.821 10.514 346 H ASP 46 H ASP 46 2.874 2.084 12.783 347 HA ASP 46 HA ASP 46 0.356 1.401 14.239 348 HB2 ASP 46 HB2 ASP 46 1.161 3.538 14.938 349 HB3 ASP 46 HB3 ASP 46 1.488 4.039 13.281 350 H ASP 47 H ASP 47 -1.624 1.438 13.197 351 HA ASP 47 HA ASP 47 -1.618 0.571 10.486 352 HB2 ASP 47 HB2 ASP 47 -3.506 -0.125 11.610 353 HB3 ASP 47 HB3 ASP 47 -3.704 1.406 12.459 354 H ALA 48 H ALA 48 -2.614 3.705 11.918 355 HA ALA 48 HA ALA 48 -3.388 5.024 9.590 356 HB1 ALA 48 HB1 ALA 48 -3.512 6.799 10.938 357 HB2 ALA 48 HB2 ALA 48 -2.929 5.736 12.220 358 HB3 ALA 48 HB3 ALA 48 -1.791 6.740 11.322 359 H THR 49 H THR 49 -0.094 4.577 10.879 360 HA THR 49 HA THR 49 0.965 5.837 8.390 361 HB THR 49 HB THR 49 1.754 6.652 10.662 362 HG1 THR 49 HG1 THR 49 3.696 7.072 9.786 363 HG21 THR 49 HG21 THR 49 2.112 3.943 11.157 364 HG22 THR 49 HG22 THR 49 2.700 5.277 12.150 365 HG23 THR 49 HG23 THR 49 3.747 4.560 10.926 366 H LYS 50 H LYS 50 3.444 4.762 8.203 367 HA LYS 50 HA LYS 50 3.163 1.821 8.200 368 HB2 LYS 50 HB2 LYS 50 3.621 3.426 5.668 369 HB3 LYS 50 HB3 LYS 50 3.796 1.681 5.796 370 HG2 LYS 50 HG2 LYS 50 1.684 1.773 4.979 371 HG3 LYS 50 HG3 LYS 50 1.315 1.871 6.702 372 HD2 LYS 50 HD2 LYS 50 0.346 3.849 6.399 373 HD3 LYS 50 HD3 LYS 50 1.846 4.499 5.732 374 HE2 LYS 50 HE2 LYS 50 1.000 3.134 3.601 375 HE3 LYS 50 HE3 LYS 50 -0.562 3.454 4.354 376 HZ1 LYS 50 HZ1 LYS 50 -0.108 5.224 2.869 377 HZ2 LYS 50 HZ2 LYS 50 1.455 5.442 3.477 378 HZ3 LYS 50 HZ3 LYS 50 0.115 5.840 4.429 379 H THR 51 H THR 51 4.791 3.483 9.758 380 HA THR 51 HA THR 51 7.477 3.017 8.522 381 HB THR 51 HB THR 51 6.631 5.024 10.629 382 HG1 THR 51 HG1 THR 51 7.701 6.368 8.844 383 HG21 THR 51 HG21 THR 51 9.284 3.948 9.894 384 HG22 THR 51 HG22 THR 51 8.731 4.667 11.407 385 HG23 THR 51 HG23 THR 51 9.170 5.701 10.047 386 H PHE 52 H PHE 52 8.539 1.335 9.297 387 HA PHE 52 HA PHE 52 7.859 0.401 12.044 388 HB2 PHE 52 HB2 PHE 52 9.171 -0.971 9.684 389 HB3 PHE 52 HB3 PHE 52 9.100 -1.685 11.292 390 HD1 PHE 52 HD1 PHE 52 6.806 -0.085 8.820 391 HD2 PHE 52 HD2 PHE 52 7.392 -3.152 11.712 392 HE1 PHE 52 HE1 PHE 52 4.572 -0.984 8.314 393 HE2 PHE 52 HE2 PHE 52 5.160 -4.057 11.210 394 HZ PHE 52 HZ PHE 52 3.747 -2.973 9.509 395 H THR 53 H THR 53 9.356 0.186 13.642 396 HA THR 53 HA THR 53 12.144 1.025 12.968 397 HB THR 53 HB THR 53 10.621 1.928 15.429 398 HG1 THR 53 HG1 THR 53 10.719 3.995 14.372 399 HG21 THR 53 HG21 THR 53 12.680 3.566 15.365 400 HG22 THR 53 HG22 THR 53 13.425 2.249 14.460 401 HG23 THR 53 HG23 THR 53 12.824 1.967 16.093 402 H VAL 54 H VAL 54 13.785 0.053 14.111 403 HA VAL 54 HA VAL 54 12.937 -1.999 16.112 404 HB VAL 54 HB VAL 54 13.353 -3.243 14.110 405 HG11 VAL 54 HG11 VAL 54 16.075 -2.766 13.517 406 HG12 VAL 54 HG12 VAL 54 14.665 -2.447 12.506 407 HG13 VAL 54 HG13 VAL 54 15.272 -1.199 13.594 408 HG21 VAL 54 HG21 VAL 54 14.602 -4.813 15.110 409 HG22 VAL 54 HG22 VAL 54 15.994 -3.741 15.265 410 HG23 VAL 54 HG23 VAL 54 14.694 -3.674 16.453 411 H THR 55 H THR 55 13.732 -1.289 17.979 412 HA THR 55 HA THR 55 16.500 -0.158 17.960 413 HB THR 55 HB THR 55 14.549 0.086 20.250 414 HG1 THR 55 HG1 THR 55 14.591 1.448 17.803 415 HG21 THR 55 HG21 THR 55 16.113 2.374 19.991 416 HG22 THR 55 HG22 THR 55 17.212 1.043 19.630 417 HG23 THR 55 HG23 THR 55 16.335 1.073 21.159 418 H GLU 56 H GLU 56 18.110 -1.205 18.932 419 HA GLU 56 HA GLU 56 17.519 -3.798 20.165 420 HB2 GLU 56 HB2 GLU 56 20.115 -2.328 19.633 421 HB3 GLU 56 HB3 GLU 56 20.023 -3.932 20.345 422 HG2 GLU 56 HG2 GLU 56 18.504 -4.218 18.095 423 HG3 GLU 56 HG3 GLU 56 19.750 -3.090 17.566 Start of MODEL 19 1 H1 MET 1 H MET 1 0.262 0.125 0.540 2 HA MET 1 HA MET 1 1.372 -1.673 -1.261 3 HB2 MET 1 HB2 MET 1 1.619 1.339 -1.188 4 HB3 MET 1 HB3 MET 1 2.038 0.337 -2.571 5 HG2 MET 1 HG2 MET 1 -0.565 -0.400 -1.863 6 HG3 MET 1 HG3 MET 1 -0.515 1.358 -1.762 7 HE1 MET 1 HE1 MET 1 -2.144 1.089 -5.221 8 HE2 MET 1 HE2 MET 1 -2.514 0.517 -3.594 9 HE3 MET 1 HE3 MET 1 -1.945 2.169 -3.840 10 H GLN 2 H GLN 2 3.183 1.161 -0.060 11 HA GLN 2 HA GLN 2 5.583 -0.620 0.077 12 HB2 GLN 2 HB2 GLN 2 6.828 1.621 -0.256 13 HB3 GLN 2 HB3 GLN 2 6.046 0.887 -1.650 14 HG2 GLN 2 HG2 GLN 2 4.139 2.394 -1.368 15 HG3 GLN 2 HG3 GLN 2 4.940 3.137 0.016 16 HE21 GLN 2 HE21 GLN 2 4.312 3.503 -3.164 17 HE22 GLN 2 HE22 GLN 2 5.631 4.522 -3.616 18 H TYR 3 H TYR 3 6.650 -0.775 1.942 19 HA TYR 3 HA TYR 3 5.866 1.152 4.095 20 HB2 TYR 3 HB2 TYR 3 6.839 -1.682 4.522 21 HB3 TYR 3 HB3 TYR 3 6.091 -0.607 5.697 22 HD1 TYR 3 HD1 TYR 3 5.456 -2.661 2.692 23 HD2 TYR 3 HD2 TYR 3 3.726 -0.453 5.892 24 HE1 TYR 3 HE1 TYR 3 3.254 -3.615 2.152 25 HE2 TYR 3 HE2 TYR 3 1.520 -1.402 5.361 26 HH TYR 3 HH TYR 3 1.003 -4.025 3.672 27 H LYS 4 H LYS 4 7.450 1.840 5.568 28 HA LYS 4 HA LYS 4 10.234 1.489 4.531 29 HB2 LYS 4 HB2 LYS 4 9.808 3.755 4.271 30 HB3 LYS 4 HB3 LYS 4 8.774 3.838 5.691 31 HG2 LYS 4 HG2 LYS 4 10.697 3.705 7.146 32 HG3 LYS 4 HG3 LYS 4 11.766 3.500 5.756 33 HD2 LYS 4 HD2 LYS 4 9.986 5.894 5.900 34 HD3 LYS 4 HD3 LYS 4 11.465 5.854 6.864 35 HE2 LYS 4 HE2 LYS 4 12.458 5.054 4.511 36 HE3 LYS 4 HE3 LYS 4 11.103 6.021 3.930 37 HZ1 LYS 4 HZ1 LYS 4 12.252 7.571 5.855 38 HZ2 LYS 4 HZ2 LYS 4 12.446 7.756 4.186 39 HZ3 LYS 4 HZ3 LYS 4 13.581 6.872 5.076 40 H LEU 5 H LEU 5 11.932 1.189 5.978 41 HA LEU 5 HA LEU 5 11.104 0.633 8.794 42 HB2 LEU 5 HB2 LEU 5 11.289 -1.514 7.882 43 HB3 LEU 5 HB3 LEU 5 12.688 -1.080 6.901 44 HG LEU 5 HG LEU 5 14.029 -0.933 8.998 45 HD11 LEU 5 HD11 LEU 5 12.934 -0.808 10.925 46 HD12 LEU 5 HD12 LEU 5 12.545 -2.517 10.737 47 HD13 LEU 5 HD13 LEU 5 11.415 -1.288 10.168 48 HD21 LEU 5 HD21 LEU 5 12.731 -3.629 8.689 49 HD22 LEU 5 HD22 LEU 5 14.388 -3.263 9.168 50 HD23 LEU 5 HD23 LEU 5 13.864 -2.970 7.509 51 H VAL 6 H VAL 6 12.638 1.017 10.396 52 HA VAL 6 HA VAL 6 15.149 2.336 9.458 53 HB VAL 6 HB VAL 6 13.311 3.350 11.644 54 HG11 VAL 6 HG11 VAL 6 15.573 3.675 12.347 55 HG12 VAL 6 HG12 VAL 6 16.037 4.279 10.755 56 HG13 VAL 6 HG13 VAL 6 14.955 5.225 11.778 57 HG21 VAL 6 HG21 VAL 6 13.861 4.186 8.840 58 HG22 VAL 6 HG22 VAL 6 12.340 4.160 9.731 59 HG23 VAL 6 HG23 VAL 6 13.524 5.429 10.044 60 H ILE 7 H ILE 7 16.962 1.820 10.547 61 HA ILE 7 HA ILE 7 16.607 -0.068 12.833 62 HB ILE 7 HB ILE 7 18.979 0.329 10.993 63 HG12 ILE 7 HG12 ILE 7 17.898 -2.321 10.996 64 HG13 ILE 7 HG13 ILE 7 16.589 -1.181 10.703 65 HG21 ILE 7 HG21 ILE 7 19.772 -1.792 12.142 66 HG22 ILE 7 HG22 ILE 7 19.861 -0.304 13.082 67 HG23 ILE 7 HG23 ILE 7 18.557 -1.454 13.374 68 HD11 ILE 7 HD11 ILE 7 18.872 -0.471 9.128 69 HD12 ILE 7 HD12 ILE 7 18.448 -2.163 8.866 70 HD13 ILE 7 HD13 ILE 7 17.242 -0.901 8.613 71 H ASN 8 H ASN 8 16.849 0.808 14.767 72 HA ASN 8 HA ASN 8 18.738 3.103 15.030 73 HB2 ASN 8 HB2 ASN 8 16.172 2.379 16.287 74 HB3 ASN 8 HB3 ASN 8 17.391 2.955 17.421 75 HD21 ASN 8 HD21 ASN 8 18.670 4.905 16.340 76 HD22 ASN 8 HD22 ASN 8 17.638 6.171 15.776 77 H GLY 9 H GLY 9 20.301 1.109 14.808 78 HA2 GLY 9 HA2 GLY 9 20.636 -0.324 17.357 79 HA3 GLY 9 HA3 GLY 9 21.597 -0.529 15.900 80 H LYS 10 H LYS 10 23.076 -0.585 18.021 81 HA LYS 10 HA LYS 10 23.871 2.088 18.899 82 HB2 LYS 10 HB2 LYS 10 24.096 -0.441 19.959 83 HB3 LYS 10 HB3 LYS 10 25.734 -0.137 19.397 84 HG2 LYS 10 HG2 LYS 10 25.063 2.209 20.672 85 HG3 LYS 10 HG3 LYS 10 24.308 0.966 21.672 86 HD2 LYS 10 HD2 LYS 10 26.378 -0.136 22.023 87 HD3 LYS 10 HD3 LYS 10 27.175 0.812 20.765 88 HE2 LYS 10 HE2 LYS 10 27.093 2.785 22.086 89 HE3 LYS 10 HE3 LYS 10 26.008 2.035 23.256 90 HZ1 LYS 10 HZ1 LYS 10 27.932 1.752 24.368 91 HZ2 LYS 10 HZ2 LYS 10 28.893 1.787 22.977 92 HZ3 LYS 10 HZ3 LYS 10 28.063 0.374 23.395 93 H THR 11 H THR 11 24.646 -0.038 16.304 94 HA THR 11 HA THR 11 26.986 1.708 15.643 95 HB THR 11 HB THR 11 28.075 -0.184 14.566 96 HG1 THR 11 HG1 THR 11 27.142 -2.162 14.445 97 HG21 THR 11 HG21 THR 11 28.431 0.225 17.002 98 HG22 THR 11 HG22 THR 11 28.698 -1.449 16.516 99 HG23 THR 11 HG23 THR 11 27.206 -0.997 17.340 100 H LEU 12 H LEU 12 24.587 -0.581 14.265 101 HA LEU 12 HA LEU 12 24.836 0.677 11.632 102 HB2 LEU 12 HB2 LEU 12 24.388 -1.778 12.087 103 HB3 LEU 12 HB3 LEU 12 22.751 -1.306 12.541 104 HG LEU 12 HG LEU 12 22.324 -0.509 10.293 105 HD11 LEU 12 HD11 LEU 12 24.502 0.317 9.692 106 HD12 LEU 12 HD12 LEU 12 23.994 -0.887 8.508 107 HD13 LEU 12 HD13 LEU 12 25.177 -1.312 9.746 108 HD21 LEU 12 HD21 LEU 12 22.673 -2.712 9.067 109 HD22 LEU 12 HD22 LEU 12 21.756 -2.771 10.573 110 HD23 LEU 12 HD23 LEU 12 23.444 -3.285 10.547 111 H LYS 13 H LYS 13 23.548 2.163 10.720 112 HA LYS 13 HA LYS 13 20.936 2.765 11.963 113 HB2 LYS 13 HB2 LYS 13 23.321 4.540 12.091 114 HB3 LYS 13 HB3 LYS 13 21.792 5.307 11.682 115 HG2 LYS 13 HG2 LYS 13 21.059 5.187 13.778 116 HG3 LYS 13 HG3 LYS 13 21.548 3.498 13.938 117 HD2 LYS 13 HD2 LYS 13 23.427 4.043 15.023 118 HD3 LYS 13 HD3 LYS 13 23.812 5.328 13.876 119 HE2 LYS 13 HE2 LYS 13 22.795 6.932 15.124 120 HE3 LYS 13 HE3 LYS 13 21.574 5.825 15.749 121 HZ1 LYS 13 HZ1 LYS 13 24.336 5.413 16.608 122 HZ2 LYS 13 HZ2 LYS 13 22.893 5.185 17.461 123 HZ3 LYS 13 HZ3 LYS 13 23.513 6.745 17.251 124 H GLY 14 H GLY 14 19.828 2.228 10.141 125 HA2 GLY 14 HA2 GLY 14 20.073 4.150 7.923 126 HA3 GLY 14 HA3 GLY 14 20.400 2.473 7.513 127 H GLU 15 H GLU 15 18.543 3.051 6.014 128 HA GLU 15 HA GLU 15 16.078 2.063 7.328 129 HB2 GLU 15 HB2 GLU 15 15.875 4.398 5.439 130 HB3 GLU 15 HB3 GLU 15 14.690 3.802 6.593 131 HG2 GLU 15 HG2 GLU 15 16.060 4.612 8.436 132 HG3 GLU 15 HG3 GLU 15 17.268 5.192 7.290 133 H THR 16 H THR 16 14.542 1.142 5.881 134 HA THR 16 HA THR 16 15.494 0.771 3.088 135 HB THR 16 HB THR 16 16.340 -1.146 4.472 136 HG1 THR 16 HG1 THR 16 15.094 -2.739 3.010 137 HG21 THR 16 HG21 THR 16 14.491 -1.294 6.067 138 HG22 THR 16 HG22 THR 16 14.727 -2.831 5.233 139 HG23 THR 16 HG23 THR 16 13.399 -1.769 4.767 140 H THR 17 H THR 17 13.774 -0.712 1.910 141 HA THR 17 HA THR 17 11.052 0.081 2.840 142 HB THR 17 HB THR 17 10.673 0.340 0.203 143 HG1 THR 17 HG1 THR 17 13.418 0.844 0.651 144 HG21 THR 17 HG21 THR 17 11.883 2.605 1.780 145 HG22 THR 17 HG22 THR 17 10.257 1.990 2.081 146 HG23 THR 17 HG23 THR 17 10.659 2.692 0.514 147 H THR 18 H THR 18 9.320 -1.034 1.486 148 HA THR 18 HA THR 18 10.127 -3.555 0.240 149 HB THR 18 HB THR 18 10.202 -4.060 2.708 150 HG1 THR 18 HG1 THR 18 9.782 -5.711 1.176 151 HG21 THR 18 HG21 THR 18 8.267 -2.574 3.293 152 HG22 THR 18 HG22 THR 18 8.172 -4.200 3.971 153 HG23 THR 18 HG23 THR 18 7.202 -3.773 2.561 154 H LYS 19 H LYS 19 7.986 -4.962 -0.041 155 HA LYS 19 HA LYS 19 5.672 -3.168 -0.517 156 HB2 LYS 19 HB2 LYS 19 7.300 -4.533 -2.615 157 HB3 LYS 19 HB3 LYS 19 5.554 -4.512 -2.826 158 HG2 LYS 19 HG2 LYS 19 5.574 -2.065 -2.649 159 HG3 LYS 19 HG3 LYS 19 7.332 -2.105 -2.485 160 HD2 LYS 19 HD2 LYS 19 6.710 -1.589 -4.775 161 HD3 LYS 19 HD3 LYS 19 7.497 -3.167 -4.697 162 HE2 LYS 19 HE2 LYS 19 4.624 -3.366 -4.360 163 HE3 LYS 19 HE3 LYS 19 5.055 -2.582 -5.879 164 HZ1 LYS 19 HZ1 LYS 19 6.253 -5.146 -5.001 165 HZ2 LYS 19 HZ2 LYS 19 6.313 -4.446 -6.540 166 HZ3 LYS 19 HZ3 LYS 19 4.854 -5.067 -5.950 167 H ALA 20 H ALA 20 4.010 -4.099 0.448 168 HA ALA 20 HA ALA 20 3.557 -6.992 -0.027 169 HB1 ALA 20 HB1 ALA 20 4.816 -6.665 2.152 170 HB2 ALA 20 HB2 ALA 20 3.369 -5.862 2.763 171 HB3 ALA 20 HB3 ALA 20 3.294 -7.549 2.255 172 H VAL 21 H VAL 21 1.375 -7.687 0.435 173 HA VAL 21 HA VAL 21 -0.529 -5.493 -0.103 174 HB VAL 21 HB VAL 21 -2.154 -7.274 -0.529 175 HG11 VAL 21 HG11 VAL 21 -0.037 -8.481 -2.065 176 HG12 VAL 21 HG12 VAL 21 -1.357 -7.439 -2.598 177 HG13 VAL 21 HG13 VAL 21 0.147 -6.728 -2.013 178 HG21 VAL 21 HG21 VAL 21 -0.029 -8.971 0.680 179 HG22 VAL 21 HG22 VAL 21 -1.780 -9.037 0.885 180 HG23 VAL 21 HG23 VAL 21 -1.040 -9.664 -0.588 181 H ASP 22 H ASP 22 0.822 -6.374 2.609 182 HA ASP 22 HA ASP 22 -1.362 -5.512 4.253 183 HB2 ASP 22 HB2 ASP 22 -1.577 -7.662 5.579 184 HB3 ASP 22 HB3 ASP 22 -2.315 -7.686 3.980 185 H ALA 23 H ALA 23 -0.702 -4.944 6.293 186 HA ALA 23 HA ALA 23 1.991 -4.375 6.725 187 HB1 ALA 23 HB1 ALA 23 0.612 -3.237 8.154 188 HB2 ALA 23 HB2 ALA 23 -0.376 -4.653 8.519 189 HB3 ALA 23 HB3 ALA 23 1.220 -4.479 9.250 190 H GLU 24 H GLU 24 0.235 -7.360 7.372 191 HA GLU 24 HA GLU 24 2.233 -8.538 9.073 192 HB2 GLU 24 HB2 GLU 24 0.285 -9.999 7.276 193 HB3 GLU 24 HB3 GLU 24 1.039 -10.598 8.747 194 HG2 GLU 24 HG2 GLU 24 -0.236 -9.103 10.097 195 HG3 GLU 24 HG3 GLU 24 -0.857 -8.266 8.675 196 H THR 25 H THR 25 1.427 -9.129 5.622 197 HA THR 25 HA THR 25 3.576 -10.854 5.063 198 HB THR 25 HB THR 25 2.170 -8.861 3.267 199 HG1 THR 25 HG1 THR 25 1.949 -11.697 3.373 200 HG21 THR 25 HG21 THR 25 3.083 -10.244 1.396 201 HG22 THR 25 HG22 THR 25 4.140 -11.037 2.564 202 HG23 THR 25 HG23 THR 25 4.304 -9.309 2.258 203 H ALA 26 H ALA 26 3.456 -7.314 5.159 204 HA ALA 26 HA ALA 26 6.140 -7.016 4.062 205 HB1 ALA 26 HB1 ALA 26 5.396 -4.690 5.491 206 HB2 ALA 26 HB2 ALA 26 5.366 -4.959 3.747 207 HB3 ALA 26 HB3 ALA 26 3.938 -5.313 4.719 208 H GLU 27 H GLU 27 4.655 -7.085 7.287 209 HA GLU 27 HA GLU 27 6.915 -6.193 8.757 210 HB2 GLU 27 HB2 GLU 27 4.784 -6.340 9.837 211 HB3 GLU 27 HB3 GLU 27 4.643 -8.055 9.477 212 HG2 GLU 27 HG2 GLU 27 7.011 -7.361 11.041 213 HG3 GLU 27 HG3 GLU 27 5.482 -7.002 11.842 214 H LYS 28 H LYS 28 6.244 -9.202 7.157 215 HA LYS 28 HA LYS 28 8.164 -10.764 8.691 216 HB2 LYS 28 HB2 LYS 28 6.112 -11.338 6.921 217 HB3 LYS 28 HB3 LYS 28 7.553 -11.721 5.989 218 HG2 LYS 28 HG2 LYS 28 7.513 -13.700 6.994 219 HG3 LYS 28 HG3 LYS 28 8.064 -12.861 8.446 220 HD2 LYS 28 HD2 LYS 28 5.158 -12.793 7.923 221 HD3 LYS 28 HD3 LYS 28 5.835 -14.366 8.350 222 HE2 LYS 28 HE2 LYS 28 6.977 -12.490 10.111 223 HE3 LYS 28 HE3 LYS 28 5.254 -12.122 10.035 224 HZ1 LYS 28 HZ1 LYS 28 4.950 -14.619 10.385 225 HZ2 LYS 28 HZ2 LYS 28 5.424 -13.691 11.717 226 HZ3 LYS 28 HZ3 LYS 28 6.565 -14.626 10.888 227 H ALA 29 H ALA 29 8.166 -8.941 5.649 228 HA ALA 29 HA ALA 29 10.741 -9.857 4.762 229 HB1 ALA 29 HB1 ALA 29 9.992 -7.140 3.955 230 HB2 ALA 29 HB2 ALA 29 10.329 -8.568 2.975 231 HB3 ALA 29 HB3 ALA 29 8.730 -8.343 3.685 232 H PHE 30 H PHE 30 9.670 -7.317 6.953 233 HA PHE 30 HA PHE 30 12.242 -5.968 7.017 234 HB2 PHE 30 HB2 PHE 30 9.758 -5.844 8.732 235 HB3 PHE 30 HB3 PHE 30 11.208 -4.930 9.133 236 HD1 PHE 30 HD2 PHE 30 12.140 -4.058 6.505 237 HD2 PHE 30 HD1 PHE 30 8.191 -4.277 8.078 238 HE1 PHE 30 HE2 PHE 30 11.434 -2.267 4.973 239 HE2 PHE 30 HE1 PHE 30 7.479 -2.487 6.547 240 HZ PHE 30 HZ PHE 30 9.101 -1.479 4.993 241 H LYS 31 H LYS 31 10.721 -8.616 8.742 242 HA LYS 31 HA LYS 31 12.528 -8.617 10.988 243 HB2 LYS 31 HB2 LYS 31 10.217 -9.814 10.614 244 HB3 LYS 31 HB3 LYS 31 11.208 -11.113 9.961 245 HG2 LYS 31 HG2 LYS 31 11.710 -11.823 11.995 246 HG3 LYS 31 HG3 LYS 31 12.295 -10.223 12.459 247 HD2 LYS 31 HD2 LYS 31 9.409 -11.107 12.498 248 HD3 LYS 31 HD3 LYS 31 10.466 -11.010 13.909 249 HE2 LYS 31 HE2 LYS 31 9.757 -8.912 14.150 250 HE3 LYS 31 HE3 LYS 31 10.706 -8.522 12.716 251 HZ1 LYS 31 HZ1 LYS 31 8.374 -9.544 11.730 252 HZ2 LYS 31 HZ2 LYS 31 8.790 -7.906 11.808 253 HZ3 LYS 31 HZ3 LYS 31 7.870 -8.605 13.044 254 H GLN 32 H GLN 32 12.981 -9.334 7.718 255 HA GLN 32 HA GLN 32 15.048 -11.384 8.212 256 HB2 GLN 32 HB2 GLN 32 13.351 -10.775 6.068 257 HB3 GLN 32 HB3 GLN 32 14.956 -10.327 5.508 258 HG2 GLN 32 HG2 GLN 32 15.604 -12.678 6.467 259 HG3 GLN 32 HG3 GLN 32 13.883 -12.997 6.253 260 HE21 GLN 32 HE21 GLN 32 16.310 -11.211 4.378 261 HE22 GLN 32 HE22 GLN 32 16.022 -12.043 2.891 262 H TYR 33 H TYR 33 14.821 -8.100 6.789 263 HA TYR 33 HA TYR 33 17.540 -7.703 6.261 264 HB2 TYR 33 HB2 TYR 33 15.649 -6.157 5.675 265 HB3 TYR 33 HB3 TYR 33 15.640 -5.602 7.345 266 HD1 TYR 33 HD2 TYR 33 18.553 -6.359 5.154 267 HD2 TYR 33 HD1 TYR 33 16.322 -3.373 7.206 268 HE1 TYR 33 HE2 TYR 33 20.282 -4.698 4.605 269 HE2 TYR 33 HE1 TYR 33 18.044 -1.704 6.662 270 HH TYR 33 HH TYR 33 21.102 -2.561 5.405 271 H ALA 34 H ALA 34 15.777 -6.747 9.244 272 HA ALA 34 HA ALA 34 17.979 -5.805 10.695 273 HB1 ALA 34 HB1 ALA 34 15.558 -5.694 11.349 274 HB2 ALA 34 HB2 ALA 34 15.689 -7.368 11.890 275 HB3 ALA 34 HB3 ALA 34 16.662 -6.114 12.659 276 H ASN 35 H ASN 35 16.573 -9.112 10.874 277 HA ASN 35 HA ASN 35 18.530 -10.217 12.559 278 HB2 ASN 35 HB2 ASN 35 16.425 -11.185 10.822 279 HB3 ASN 35 HB3 ASN 35 17.826 -12.249 10.734 280 HD21 ASN 35 HD21 ASN 35 16.465 -13.831 11.738 281 HD22 ASN 35 HD22 ASN 35 16.239 -13.814 13.450 282 H ASP 36 H ASP 36 18.529 -9.834 9.023 283 HA ASP 36 HA ASP 36 20.780 -11.370 8.381 284 HB2 ASP 36 HB2 ASP 36 19.133 -9.740 6.985 285 HB3 ASP 36 HB3 ASP 36 20.574 -8.727 7.038 286 H ASN 37 H ASN 37 20.590 -8.176 9.872 287 HA ASN 37 HA ASN 37 23.578 -8.103 9.932 288 HB2 ASN 37 HB2 ASN 37 21.496 -5.914 10.159 289 HB3 ASN 37 HB3 ASN 37 23.195 -5.660 10.547 290 HD21 ASN 37 HD21 ASN 37 24.703 -6.503 8.759 291 HD22 ASN 37 HD22 ASN 37 24.270 -6.046 7.150 292 H GLY 38 H GLY 38 21.725 -9.671 11.692 293 HA2 GLY 38 HA2 GLY 38 21.522 -10.134 13.950 294 HA3 GLY 38 HA3 GLY 38 23.086 -9.353 14.125 295 H VAL 39 H VAL 39 20.069 -7.844 13.036 296 HA VAL 39 HA VAL 39 20.309 -5.995 15.362 297 HB VAL 39 HB VAL 39 18.583 -5.631 12.905 298 HG11 VAL 39 HG11 VAL 39 19.649 -3.320 14.367 299 HG12 VAL 39 HG12 VAL 39 18.029 -3.617 13.734 300 HG13 VAL 39 HG13 VAL 39 18.514 -4.314 15.280 301 HG21 VAL 39 HG21 VAL 39 21.415 -4.719 13.397 302 HG22 VAL 39 HG22 VAL 39 20.854 -5.818 12.136 303 HG23 VAL 39 HG23 VAL 39 20.384 -4.119 12.098 304 H ASP 40 H ASP 40 19.127 -6.544 17.063 305 HA ASP 40 HA ASP 40 16.342 -7.499 16.531 306 HB2 ASP 40 HB2 ASP 40 18.143 -9.161 17.515 307 HB3 ASP 40 HB3 ASP 40 17.811 -8.306 19.020 308 H GLY 41 H GLY 41 14.789 -6.271 17.354 309 HA2 GLY 41 HA2 GLY 41 15.252 -4.853 19.890 310 HA3 GLY 41 HA3 GLY 41 15.037 -3.823 18.483 311 H VAL 42 H VAL 42 13.150 -2.903 19.334 312 HA VAL 42 HA VAL 42 10.857 -4.782 19.637 313 HB VAL 42 HB VAL 42 11.082 -1.855 20.389 314 HG11 VAL 42 HG11 VAL 42 8.860 -3.858 20.647 315 HG12 VAL 42 HG12 VAL 42 8.965 -2.439 21.691 316 HG13 VAL 42 HG13 VAL 42 8.812 -2.241 19.945 317 HG21 VAL 42 HG21 VAL 42 12.227 -2.663 22.132 318 HG22 VAL 42 HG22 VAL 42 10.680 -3.300 22.689 319 HG23 VAL 42 HG23 VAL 42 11.778 -4.329 21.769 320 H TRP 43 H TRP 43 9.448 -5.017 18.049 321 HA TRP 43 HA TRP 43 9.548 -3.133 15.781 322 HB2 TRP 43 HB2 TRP 43 7.844 -5.619 16.125 323 HB3 TRP 43 HB3 TRP 43 8.175 -4.757 14.624 324 HD1 TRP 43 HD1 TRP 43 9.675 -7.307 17.003 325 HE1 TRP 43 HE1 TRP 43 11.803 -8.293 15.945 326 HE3 TRP 43 HE3 TRP 43 10.136 -4.146 13.011 327 HZ2 TRP 43 HZ2 TRP 43 13.459 -7.797 13.713 328 HZ3 TRP 43 HZ3 TRP 43 12.021 -4.470 11.463 329 HH2 TRP 43 HH2 TRP 43 13.647 -6.258 11.808 330 H THR 44 H THR 44 8.277 -1.427 15.626 331 HA THR 44 HA THR 44 5.529 -1.618 16.760 332 HB THR 44 HB THR 44 5.802 0.816 17.492 333 HG1 THR 44 HG1 THR 44 7.705 1.505 16.723 334 HG21 THR 44 HG21 THR 44 6.237 0.140 19.630 335 HG22 THR 44 HG22 THR 44 7.619 -0.846 19.154 336 HG23 THR 44 HG23 THR 44 5.980 -1.440 18.890 337 H TYR 45 H TYR 45 4.131 -1.250 15.189 338 HA TYR 45 HA TYR 45 4.764 0.924 13.249 339 HB2 TYR 45 HB2 TYR 45 4.629 -0.407 11.429 340 HB3 TYR 45 HB3 TYR 45 4.970 -1.719 12.552 341 HD1 TYR 45 HD1 TYR 45 2.376 -0.058 10.563 342 HD2 TYR 45 HD2 TYR 45 3.231 -3.267 13.223 343 HE1 TYR 45 HE1 TYR 45 0.236 -1.114 9.967 344 HE2 TYR 45 HE2 TYR 45 1.094 -4.332 12.634 345 HH TYR 45 HH TYR 45 -1.381 -2.903 11.353 346 H ASP 46 H ASP 46 3.023 2.083 12.477 347 HA ASP 46 HA ASP 46 0.470 1.537 13.930 348 HB2 ASP 46 HB2 ASP 46 1.326 3.679 14.540 349 HB3 ASP 46 HB3 ASP 46 1.691 4.093 12.867 350 H ASP 47 H ASP 47 -1.516 1.681 12.862 351 HA ASP 47 HA ASP 47 -1.491 0.672 10.181 352 HB2 ASP 47 HB2 ASP 47 -3.391 0.032 11.324 353 HB3 ASP 47 HB3 ASP 47 -3.583 1.597 12.109 354 H ALA 48 H ALA 48 -2.438 3.860 11.520 355 HA ALA 48 HA ALA 48 -3.194 5.123 9.154 356 HB1 ALA 48 HB1 ALA 48 -3.286 6.943 10.446 357 HB2 ALA 48 HB2 ALA 48 -2.735 5.903 11.760 358 HB3 ALA 48 HB3 ALA 48 -1.569 6.858 10.845 359 H THR 49 H THR 49 0.096 4.706 10.476 360 HA THR 49 HA THR 49 1.171 5.849 7.938 361 HB THR 49 HB THR 49 1.957 6.764 10.167 362 HG1 THR 49 HG1 THR 49 3.390 7.265 8.653 363 HG21 THR 49 HG21 THR 49 2.230 4.123 10.862 364 HG22 THR 49 HG22 THR 49 2.958 5.483 11.716 365 HG23 THR 49 HG23 THR 49 3.891 4.597 10.511 366 H LYS 50 H LYS 50 3.609 4.770 7.723 367 HA LYS 50 HA LYS 50 3.317 1.824 7.863 368 HB2 LYS 50 HB2 LYS 50 4.006 3.224 5.266 369 HB3 LYS 50 HB3 LYS 50 3.799 1.497 5.522 370 HG2 LYS 50 HG2 LYS 50 1.590 3.499 5.909 371 HG3 LYS 50 HG3 LYS 50 1.892 2.659 4.386 372 HD2 LYS 50 HD2 LYS 50 1.248 0.614 5.231 373 HD3 LYS 50 HD3 LYS 50 1.611 1.070 6.897 374 HE2 LYS 50 HE2 LYS 50 -0.324 2.660 6.782 375 HE3 LYS 50 HE3 LYS 50 -0.731 1.954 5.219 376 HZ1 LYS 50 HZ1 LYS 50 -1.969 0.581 6.461 377 HZ2 LYS 50 HZ2 LYS 50 -1.103 0.885 7.881 378 HZ3 LYS 50 HZ3 LYS 50 -0.511 -0.228 6.753 379 H THR 51 H THR 51 4.937 3.445 9.420 380 HA THR 51 HA THR 51 7.635 2.888 8.244 381 HB THR 51 HB THR 51 7.429 5.258 8.497 382 HG1 THR 51 HG1 THR 51 9.420 4.485 9.226 383 HG21 THR 51 HG21 THR 51 5.854 4.555 10.811 384 HG22 THR 51 HG22 THR 51 5.936 6.083 9.936 385 HG23 THR 51 HG23 THR 51 7.086 5.744 11.229 386 H PHE 52 H PHE 52 8.417 1.087 9.112 387 HA PHE 52 HA PHE 52 7.702 0.395 11.894 388 HB2 PHE 52 HB2 PHE 52 9.178 -1.080 9.701 389 HB3 PHE 52 HB3 PHE 52 9.020 -1.709 11.337 390 HD1 PHE 52 HD2 PHE 52 6.840 -0.261 8.674 391 HD2 PHE 52 HD1 PHE 52 7.327 -3.202 11.711 392 HE1 PHE 52 HE2 PHE 52 4.654 -1.224 8.087 393 HE2 PHE 52 HE1 PHE 52 5.142 -4.171 11.128 394 HZ PHE 52 HZ PHE 52 3.802 -3.181 9.315 395 H THR 53 H THR 53 8.871 1.127 13.521 396 HA THR 53 HA THR 53 11.759 1.694 13.016 397 HB THR 53 HB THR 53 9.951 2.709 15.231 398 HG1 THR 53 HG1 THR 53 10.506 4.748 14.008 399 HG21 THR 53 HG21 THR 53 12.849 2.718 14.872 400 HG22 THR 53 HG22 THR 53 11.886 3.061 16.309 401 HG23 THR 53 HG23 THR 53 12.174 4.328 15.117 402 H VAL 54 H VAL 54 13.179 0.277 13.747 403 HA VAL 54 HA VAL 54 12.371 -1.413 16.080 404 HB VAL 54 HB VAL 54 12.769 -2.841 14.236 405 HG11 VAL 54 HG11 VAL 54 14.907 -2.739 12.929 406 HG12 VAL 54 HG12 VAL 54 13.823 -1.367 12.687 407 HG13 VAL 54 HG13 VAL 54 15.242 -1.200 13.722 408 HG21 VAL 54 HG21 VAL 54 14.541 -4.212 14.988 409 HG22 VAL 54 HG22 VAL 54 15.416 -2.840 15.667 410 HG23 VAL 54 HG23 VAL 54 13.921 -3.393 16.422 411 H THR 55 H THR 55 13.346 -1.038 17.941 412 HA THR 55 HA THR 55 15.964 0.403 17.863 413 HB THR 55 HB THR 55 14.025 0.200 20.185 414 HG1 THR 55 HG1 THR 55 14.472 2.446 18.496 415 HG21 THR 55 HG21 THR 55 16.698 1.377 19.799 416 HG22 THR 55 HG22 THR 55 15.899 0.836 21.275 417 HG23 THR 55 HG23 THR 55 15.522 2.420 20.597 418 H GLU 56 H GLU 56 17.688 -0.810 18.210 419 HA GLU 56 HA GLU 56 17.438 -3.449 19.413 420 HB2 GLU 56 HB2 GLU 56 19.117 -2.514 17.593 421 HB3 GLU 56 HB3 GLU 56 20.083 -2.104 19.003 422 HG2 GLU 56 HG2 GLU 56 19.451 -4.659 19.580 423 HG3 GLU 56 HG3 GLU 56 19.478 -4.723 17.818 Start of MODEL 20 1 H1 MET 1 H MET 1 0.320 0.189 -0.234 2 HA MET 1 HA MET 1 2.202 -1.561 -0.742 3 HB2 MET 1 HB2 MET 1 1.724 0.813 -2.554 4 HB3 MET 1 HB3 MET 1 2.445 -0.715 -3.044 5 HG2 MET 1 HG2 MET 1 0.417 -1.426 -3.556 6 HG3 MET 1 HG3 MET 1 0.036 -1.409 -1.835 7 HE1 MET 1 HE1 MET 1 0.169 2.313 -4.083 8 HE2 MET 1 HE2 MET 1 0.701 0.761 -4.729 9 HE3 MET 1 HE3 MET 1 -0.888 1.397 -5.157 10 H GLN 2 H GLN 2 3.195 0.438 1.216 11 HA GLN 2 HA GLN 2 5.966 0.291 0.506 12 HB2 GLN 2 HB2 GLN 2 4.575 2.555 -0.546 13 HB3 GLN 2 HB3 GLN 2 5.647 3.120 0.729 14 HG2 GLN 2 HG2 GLN 2 7.511 2.656 -0.442 15 HG3 GLN 2 HG3 GLN 2 6.820 1.210 -1.178 16 HE21 GLN 2 HE21 GLN 2 7.506 4.526 -1.545 17 HE22 GLN 2 HE22 GLN 2 6.831 4.731 -3.122 18 H TYR 3 H TYR 3 7.110 0.265 2.326 19 HA TYR 3 HA TYR 3 5.923 1.638 4.703 20 HB2 TYR 3 HB2 TYR 3 7.415 -0.997 4.779 21 HB3 TYR 3 HB3 TYR 3 6.570 -0.207 6.106 22 HD1 TYR 3 HD2 TYR 3 6.163 -2.125 2.999 23 HD2 TYR 3 HD1 TYR 3 4.174 -0.355 6.318 24 HE1 TYR 3 HE2 TYR 3 4.122 -3.378 2.437 25 HE2 TYR 3 HE1 TYR 3 2.128 -1.605 5.766 26 HH TYR 3 HH TYR 3 1.206 -2.667 3.389 27 H LYS 4 H LYS 4 7.376 2.436 6.264 28 HA LYS 4 HA LYS 4 10.126 2.837 5.160 29 HB2 LYS 4 HB2 LYS 4 8.523 4.824 5.565 30 HB3 LYS 4 HB3 LYS 4 8.824 4.551 7.276 31 HG2 LYS 4 HG2 LYS 4 10.266 6.296 6.400 32 HG3 LYS 4 HG3 LYS 4 11.212 4.898 6.920 33 HD2 LYS 4 HD2 LYS 4 12.081 4.672 4.884 34 HD3 LYS 4 HD3 LYS 4 10.471 4.608 4.162 35 HE2 LYS 4 HE2 LYS 4 11.261 6.480 3.131 36 HE3 LYS 4 HE3 LYS 4 10.585 7.221 4.582 37 HZ1 LYS 4 HZ1 LYS 4 12.938 7.868 3.890 38 HZ2 LYS 4 HZ2 LYS 4 13.407 6.355 4.483 39 HZ3 LYS 4 HZ3 LYS 4 12.681 7.480 5.517 40 H LEU 5 H LEU 5 11.123 1.030 6.017 41 HA LEU 5 HA LEU 5 10.987 0.683 8.962 42 HB2 LEU 5 HB2 LEU 5 10.710 -1.322 7.680 43 HB3 LEU 5 HB3 LEU 5 12.164 -0.991 6.741 44 HG LEU 5 HG LEU 5 13.105 -1.116 9.329 45 HD11 LEU 5 HD11 LEU 5 11.298 -2.015 10.419 46 HD12 LEU 5 HD12 LEU 5 12.142 -3.477 9.911 47 HD13 LEU 5 HD13 LEU 5 10.744 -2.905 9.000 48 HD21 LEU 5 HD21 LEU 5 13.219 -2.680 6.881 49 HD22 LEU 5 HD22 LEU 5 13.456 -3.660 8.328 50 HD23 LEU 5 HD23 LEU 5 14.498 -2.269 8.024 51 H VAL 6 H VAL 6 12.383 1.746 10.179 52 HA VAL 6 HA VAL 6 15.090 2.291 9.026 53 HB VAL 6 HB VAL 6 13.737 3.786 11.284 54 HG11 VAL 6 HG11 VAL 6 15.917 4.321 11.592 55 HG12 VAL 6 HG12 VAL 6 16.359 3.948 9.925 56 HG13 VAL 6 HG13 VAL 6 15.565 5.476 10.307 57 HG21 VAL 6 HG21 VAL 6 13.567 4.099 8.350 58 HG22 VAL 6 HG22 VAL 6 12.407 4.531 9.607 59 HG23 VAL 6 HG23 VAL 6 13.793 5.575 9.289 60 H ILE 7 H ILE 7 16.928 2.060 10.344 61 HA ILE 7 HA ILE 7 16.456 0.250 12.681 62 HB ILE 7 HB ILE 7 18.937 0.412 10.951 63 HG12 ILE 7 HG12 ILE 7 16.801 -1.730 10.982 64 HG13 ILE 7 HG13 ILE 7 16.922 -0.473 9.756 65 HG21 ILE 7 HG21 ILE 7 19.925 -0.822 12.507 66 HG22 ILE 7 HG22 ILE 7 18.488 -0.672 13.516 67 HG23 ILE 7 HG23 ILE 7 18.643 -2.028 12.399 68 HD11 ILE 7 HD11 ILE 7 19.445 -1.588 9.802 69 HD12 ILE 7 HD12 ILE 7 18.362 -2.966 10.005 70 HD13 ILE 7 HD13 ILE 7 18.178 -1.896 8.615 71 H ASN 8 H ASN 8 16.530 1.489 14.454 72 HA ASN 8 HA ASN 8 18.624 3.589 14.619 73 HB2 ASN 8 HB2 ASN 8 16.208 2.959 16.338 74 HB3 ASN 8 HB3 ASN 8 17.387 4.204 16.739 75 HD21 ASN 8 HD21 ASN 8 17.892 5.555 14.591 76 HD22 ASN 8 HD22 ASN 8 16.471 6.212 13.861 77 H GLY 9 H GLY 9 19.862 1.238 14.595 78 HA2 GLY 9 HA2 GLY 9 20.117 0.139 17.289 79 HA3 GLY 9 HA3 GLY 9 21.063 -0.305 15.876 80 H LYS 10 H LYS 10 22.708 -0.349 17.709 81 HA LYS 10 HA LYS 10 23.667 2.315 18.504 82 HB2 LYS 10 HB2 LYS 10 24.308 -0.512 19.191 83 HB3 LYS 10 HB3 LYS 10 25.602 0.665 19.374 84 HG2 LYS 10 HG2 LYS 10 23.900 2.036 20.714 85 HG3 LYS 10 HG3 LYS 10 22.963 0.541 20.785 86 HD2 LYS 10 HD2 LYS 10 24.242 0.521 22.747 87 HD3 LYS 10 HD3 LYS 10 25.115 -0.548 21.646 88 HE2 LYS 10 HE2 LYS 10 26.734 1.126 21.175 89 HE3 LYS 10 HE3 LYS 10 25.775 2.371 21.974 90 HZ1 LYS 10 HZ1 LYS 10 26.720 1.881 23.901 91 HZ2 LYS 10 HZ2 LYS 10 27.767 0.824 23.095 92 HZ3 LYS 10 HZ3 LYS 10 26.324 0.242 23.760 93 H THR 11 H THR 11 24.377 -0.162 16.134 94 HA THR 11 HA THR 11 26.706 1.486 15.226 95 HB THR 11 HB THR 11 27.653 -0.536 14.235 96 HG1 THR 11 HG1 THR 11 25.607 -2.041 15.503 97 HG21 THR 11 HG21 THR 11 28.296 -0.037 16.520 98 HG22 THR 11 HG22 THR 11 28.167 -1.783 16.309 99 HG23 THR 11 HG23 THR 11 26.884 -0.897 17.133 100 H LEU 12 H LEU 12 24.174 -0.785 14.069 101 HA LEU 12 HA LEU 12 24.406 0.178 11.339 102 HB2 LEU 12 HB2 LEU 12 23.629 -2.116 12.133 103 HB3 LEU 12 HB3 LEU 12 22.091 -1.348 12.523 104 HG LEU 12 HG LEU 12 21.744 -0.794 10.186 105 HD11 LEU 12 HD11 LEU 12 23.956 -0.391 9.416 106 HD12 LEU 12 HD12 LEU 12 23.319 -1.746 8.485 107 HD13 LEU 12 HD13 LEU 12 24.458 -2.038 9.800 108 HD21 LEU 12 HD21 LEU 12 20.800 -2.853 10.674 109 HD22 LEU 12 HD22 LEU 12 22.365 -3.633 10.902 110 HD23 LEU 12 HD23 LEU 12 21.816 -3.216 9.278 111 H LYS 13 H LYS 13 23.302 1.719 10.289 112 HA LYS 13 HA LYS 13 20.823 2.798 11.447 113 HB2 LYS 13 HB2 LYS 13 23.429 4.227 11.549 114 HB3 LYS 13 HB3 LYS 13 22.038 5.173 11.037 115 HG2 LYS 13 HG2 LYS 13 21.367 5.391 13.132 116 HG3 LYS 13 HG3 LYS 13 21.336 3.639 13.342 117 HD2 LYS 13 HD2 LYS 13 23.501 3.574 14.175 118 HD3 LYS 13 HD3 LYS 13 23.931 5.127 13.454 119 HE2 LYS 13 HE2 LYS 13 21.860 4.900 15.617 120 HE3 LYS 13 HE3 LYS 13 23.578 5.043 15.989 121 HZ1 LYS 13 HZ1 LYS 13 22.999 7.223 15.980 122 HZ2 LYS 13 HZ2 LYS 13 21.751 7.023 14.856 123 HZ3 LYS 13 HZ3 LYS 13 23.360 7.059 14.335 124 H GLY 14 H GLY 14 19.718 2.259 9.612 125 HA2 GLY 14 HA2 GLY 14 20.215 4.024 7.315 126 HA3 GLY 14 HA3 GLY 14 20.415 2.308 6.993 127 H GLU 15 H GLU 15 18.654 3.094 5.405 128 HA GLU 15 HA GLU 15 16.028 2.617 6.757 129 HB2 GLU 15 HB2 GLU 15 16.859 4.695 4.808 130 HB3 GLU 15 HB3 GLU 15 15.297 3.944 4.511 131 HG2 GLU 15 HG2 GLU 15 14.385 4.749 6.471 132 HG3 GLU 15 HG3 GLU 15 15.959 4.975 7.232 133 H THR 16 H THR 16 14.809 1.007 5.993 134 HA THR 16 HA THR 16 15.641 -0.189 3.378 135 HB THR 16 HB THR 16 14.709 -1.653 5.865 136 HG1 THR 16 HG1 THR 16 16.908 -1.022 5.933 137 HG21 THR 16 HG21 THR 16 15.177 -2.542 3.040 138 HG22 THR 16 HG22 THR 16 13.832 -2.918 4.118 139 HG23 THR 16 HG23 THR 16 15.410 -3.659 4.384 140 H THR 17 H THR 17 14.066 0.764 2.136 141 HA THR 17 HA THR 17 11.253 0.529 3.009 142 HB THR 17 HB THR 17 10.698 1.995 1.267 143 HG1 THR 17 HG1 THR 17 13.162 1.232 0.058 144 HG21 THR 17 HG21 THR 17 12.191 3.860 1.476 145 HG22 THR 17 HG22 THR 17 13.530 2.802 1.924 146 HG23 THR 17 HG23 THR 17 12.166 3.011 3.021 147 H THR 18 H THR 18 9.633 -0.550 1.856 148 HA THR 18 HA THR 18 10.325 -2.186 -0.458 149 HB THR 18 HB THR 18 11.223 -3.536 1.467 150 HG1 THR 18 HG1 THR 18 10.170 -5.466 0.721 151 HG21 THR 18 HG21 THR 18 8.867 -2.820 2.718 152 HG22 THR 18 HG22 THR 18 9.992 -4.064 3.262 153 HG23 THR 18 HG23 THR 18 8.599 -4.505 2.275 154 H LYS 19 H LYS 19 8.391 -3.861 -0.791 155 HA LYS 19 HA LYS 19 5.888 -2.323 -0.216 156 HB2 LYS 19 HB2 LYS 19 5.099 -2.734 -2.373 157 HB3 LYS 19 HB3 LYS 19 6.805 -2.399 -2.640 158 HG2 LYS 19 HG2 LYS 19 6.794 -5.111 -2.286 159 HG3 LYS 19 HG3 LYS 19 5.269 -4.829 -3.128 160 HD2 LYS 19 HD2 LYS 19 7.748 -3.499 -4.124 161 HD3 LYS 19 HD3 LYS 19 7.494 -5.211 -4.469 162 HE2 LYS 19 HE2 LYS 19 5.738 -4.810 -5.858 163 HE3 LYS 19 HE3 LYS 19 5.220 -3.379 -4.968 164 HZ1 LYS 19 HZ1 LYS 19 7.519 -2.507 -5.935 165 HZ2 LYS 19 HZ2 LYS 19 6.061 -2.359 -6.780 166 HZ3 LYS 19 HZ3 LYS 19 7.131 -3.616 -7.152 167 H ALA 20 H ALA 20 3.902 -3.588 -0.149 168 HA ALA 20 HA ALA 20 3.927 -6.444 -0.055 169 HB1 ALA 20 HB1 ALA 20 5.019 -5.253 2.257 170 HB2 ALA 20 HB2 ALA 20 3.413 -5.834 2.699 171 HB3 ALA 20 HB3 ALA 20 4.592 -6.945 2.004 172 H VAL 21 H VAL 21 1.883 -7.285 0.084 173 HA VAL 21 HA VAL 21 -0.297 -5.646 -0.528 174 HB VAL 21 HB VAL 21 -0.489 -8.272 0.967 175 HG11 VAL 21 HG11 VAL 21 -2.567 -6.898 0.691 176 HG12 VAL 21 HG12 VAL 21 -2.374 -7.075 -1.054 177 HG13 VAL 21 HG13 VAL 21 -2.633 -8.499 -0.046 178 HG21 VAL 21 HG21 VAL 21 0.282 -7.643 -1.829 179 HG22 VAL 21 HG22 VAL 21 0.807 -8.959 -0.779 180 HG23 VAL 21 HG23 VAL 21 -0.772 -9.030 -1.561 181 H ASP 22 H ASP 22 0.761 -6.848 2.662 182 HA ASP 22 HA ASP 22 -0.697 -4.609 3.913 183 HB2 ASP 22 HB2 ASP 22 -1.920 -6.006 5.474 184 HB3 ASP 22 HB3 ASP 22 -2.340 -6.483 3.831 185 H ALA 23 H ALA 23 -0.240 -4.496 6.298 186 HA ALA 23 HA ALA 23 2.544 -4.487 6.739 187 HB1 ALA 23 HB1 ALA 23 1.952 -3.406 8.594 188 HB2 ALA 23 HB2 ALA 23 0.272 -3.658 8.118 189 HB3 ALA 23 HB3 ALA 23 1.059 -4.797 9.210 190 H GLU 24 H GLU 24 0.093 -6.934 7.567 191 HA GLU 24 HA GLU 24 1.650 -8.598 9.198 192 HB2 GLU 24 HB2 GLU 24 -0.674 -9.060 8.925 193 HB3 GLU 24 HB3 GLU 24 -0.509 -9.247 7.185 194 HG2 GLU 24 HG2 GLU 24 0.793 -11.278 7.516 195 HG3 GLU 24 HG3 GLU 24 0.654 -11.088 9.263 196 H THR 25 H THR 25 1.804 -8.071 5.746 197 HA THR 25 HA THR 25 3.420 -10.464 5.255 198 HB THR 25 HB THR 25 2.746 -8.080 3.510 199 HG1 THR 25 HG1 THR 25 1.838 -10.781 3.592 200 HG21 THR 25 HG21 THR 25 4.296 -10.589 2.865 201 HG22 THR 25 HG22 THR 25 4.871 -8.924 2.772 202 HG23 THR 25 HG23 THR 25 3.634 -9.494 1.652 203 H ALA 26 H ALA 26 4.000 -6.921 5.079 204 HA ALA 26 HA ALA 26 6.800 -7.120 4.657 205 HB1 ALA 26 HB1 ALA 26 6.793 -4.858 4.766 206 HB2 ALA 26 HB2 ALA 26 5.047 -5.088 4.662 207 HB3 ALA 26 HB3 ALA 26 5.808 -4.814 6.229 208 H GLU 27 H GLU 27 4.860 -7.462 7.538 209 HA GLU 27 HA GLU 27 6.799 -6.856 9.509 210 HB2 GLU 27 HB2 GLU 27 4.377 -7.298 9.921 211 HB3 GLU 27 HB3 GLU 27 4.668 -9.008 9.636 212 HG2 GLU 27 HG2 GLU 27 4.867 -9.067 11.869 213 HG3 GLU 27 HG3 GLU 27 6.515 -8.543 11.526 214 H LYS 28 H LYS 28 6.272 -9.766 7.569 215 HA LYS 28 HA LYS 28 8.258 -11.301 9.078 216 HB2 LYS 28 HB2 LYS 28 6.169 -11.891 7.288 217 HB3 LYS 28 HB3 LYS 28 7.642 -12.370 6.454 218 HG2 LYS 28 HG2 LYS 28 7.890 -14.165 7.737 219 HG3 LYS 28 HG3 LYS 28 7.641 -13.235 9.216 220 HD2 LYS 28 HD2 LYS 28 5.256 -13.418 8.996 221 HD3 LYS 28 HD3 LYS 28 5.415 -14.167 7.406 222 HE2 LYS 28 HE2 LYS 28 6.862 -15.909 8.768 223 HE3 LYS 28 HE3 LYS 28 5.889 -15.313 10.112 224 HZ1 LYS 28 HZ1 LYS 28 4.939 -16.612 7.625 225 HZ2 LYS 28 HZ2 LYS 28 3.903 -15.797 8.684 226 HZ3 LYS 28 HZ3 LYS 28 4.756 -17.158 9.216 227 H ALA 29 H ALA 29 8.037 -9.805 5.832 228 HA ALA 29 HA ALA 29 10.629 -10.557 4.954 229 HB1 ALA 29 HB1 ALA 29 10.333 -8.347 3.563 230 HB2 ALA 29 HB2 ALA 29 9.308 -9.749 3.257 231 HB3 ALA 29 HB3 ALA 29 8.695 -8.402 4.216 232 H PHE 30 H PHE 30 9.511 -7.853 6.947 233 HA PHE 30 HA PHE 30 12.035 -6.443 6.873 234 HB2 PHE 30 HB2 PHE 30 9.534 -6.271 8.529 235 HB3 PHE 30 HB3 PHE 30 10.972 -5.393 9.036 236 HD1 PHE 30 HD1 PHE 30 12.110 -4.477 6.529 237 HD2 PHE 30 HD2 PHE 30 8.037 -4.703 7.745 238 HE1 PHE 30 HE1 PHE 30 11.548 -2.656 4.973 239 HE2 PHE 30 HE2 PHE 30 7.468 -2.884 6.190 240 HZ PHE 30 HZ PHE 30 9.224 -1.858 4.801 241 H LYS 31 H LYS 31 10.598 -8.923 8.933 242 HA LYS 31 HA LYS 31 12.627 -8.723 10.996 243 HB2 LYS 31 HB2 LYS 31 10.214 -9.772 11.042 244 HB3 LYS 31 HB3 LYS 31 11.041 -11.222 10.489 245 HG2 LYS 31 HG2 LYS 31 11.971 -11.610 12.490 246 HG3 LYS 31 HG3 LYS 31 12.291 -9.900 12.789 247 HD2 LYS 31 HD2 LYS 31 9.949 -9.555 13.379 248 HD3 LYS 31 HD3 LYS 31 9.605 -11.254 13.044 249 HE2 LYS 31 HE2 LYS 31 11.239 -11.870 14.813 250 HE3 LYS 31 HE3 LYS 31 11.416 -10.158 15.193 251 HZ1 LYS 31 HZ1 LYS 31 8.807 -10.349 15.369 252 HZ2 LYS 31 HZ2 LYS 31 9.815 -10.708 16.678 253 HZ3 LYS 31 HZ3 LYS 31 9.181 -11.959 15.732 254 H GLN 32 H GLN 32 12.730 -9.805 7.832 255 HA GLN 32 HA GLN 32 14.617 -12.012 8.355 256 HB2 GLN 32 HB2 GLN 32 13.100 -12.367 6.541 257 HB3 GLN 32 HB3 GLN 32 13.473 -10.803 5.829 258 HG2 GLN 32 HG2 GLN 32 15.142 -11.656 4.655 259 HG3 GLN 32 HG3 GLN 32 15.857 -12.387 6.091 260 HE21 GLN 32 HE21 GLN 32 15.629 -14.528 6.436 261 HE22 GLN 32 HE22 GLN 32 14.795 -15.602 5.370 262 H TYR 33 H TYR 33 14.614 -8.799 6.776 263 HA TYR 33 HA TYR 33 17.319 -8.744 6.012 264 HB2 TYR 33 HB2 TYR 33 15.599 -7.048 5.402 265 HB3 TYR 33 HB3 TYR 33 15.681 -6.406 7.039 266 HD1 TYR 33 HD2 TYR 33 17.765 -7.032 4.020 267 HD2 TYR 33 HD1 TYR 33 17.247 -4.758 7.579 268 HE1 TYR 33 HE2 TYR 33 19.617 -5.562 3.344 269 HE2 TYR 33 HE1 TYR 33 19.097 -3.281 6.912 270 HH TYR 33 HH TYR 33 20.816 -3.764 3.839 271 H ALA 34 H ALA 34 15.948 -7.185 8.948 272 HA ALA 34 HA ALA 34 18.320 -6.475 10.190 273 HB1 ALA 34 HB1 ALA 34 15.615 -6.706 10.934 274 HB2 ALA 34 HB2 ALA 34 16.543 -7.546 12.178 275 HB3 ALA 34 HB3 ALA 34 16.906 -5.864 11.792 276 H ASN 35 H ASN 35 16.591 -9.594 10.632 277 HA ASN 35 HA ASN 35 18.416 -10.808 12.367 278 HB2 ASN 35 HB2 ASN 35 16.426 -11.763 10.381 279 HB3 ASN 35 HB3 ASN 35 17.643 -12.937 10.873 280 HD21 ASN 35 HD21 ASN 35 15.964 -14.150 11.844 281 HD22 ASN 35 HD22 ASN 35 15.324 -13.700 13.384 282 H ASP 36 H ASP 36 18.413 -10.894 8.782 283 HA ASP 36 HA ASP 36 20.741 -12.477 8.493 284 HB2 ASP 36 HB2 ASP 36 18.961 -11.400 6.771 285 HB3 ASP 36 HB3 ASP 36 20.309 -10.294 6.519 286 H ASN 37 H ASN 37 20.347 -9.159 9.438 287 HA ASN 37 HA ASN 37 23.254 -8.661 9.020 288 HB2 ASN 37 HB2 ASN 37 20.935 -6.806 9.627 289 HB3 ASN 37 HB3 ASN 37 22.617 -6.283 9.611 290 HD21 ASN 37 HD21 ASN 37 19.856 -6.981 7.759 291 HD22 ASN 37 HD22 ASN 37 20.542 -6.702 6.198 292 H GLY 38 H GLY 38 21.342 -9.998 11.299 293 HA2 GLY 38 HA2 GLY 38 21.784 -10.465 13.530 294 HA3 GLY 38 HA3 GLY 38 23.304 -9.594 13.380 295 H VAL 39 H VAL 39 20.141 -8.209 12.667 296 HA VAL 39 HA VAL 39 20.577 -6.358 14.972 297 HB VAL 39 HB VAL 39 18.832 -5.919 12.536 298 HG11 VAL 39 HG11 VAL 39 18.739 -4.678 14.975 299 HG12 VAL 39 HG12 VAL 39 19.802 -3.616 14.050 300 HG13 VAL 39 HG13 VAL 39 18.183 -3.983 13.453 301 HG21 VAL 39 HG21 VAL 39 20.669 -5.418 11.394 302 HG22 VAL 39 HG22 VAL 39 21.033 -4.151 12.566 303 HG23 VAL 39 HG23 VAL 39 21.673 -5.778 12.799 304 H ASP 40 H ASP 40 19.387 -6.757 16.700 305 HA ASP 40 HA ASP 40 16.596 -7.736 16.250 306 HB2 ASP 40 HB2 ASP 40 18.330 -9.401 17.238 307 HB3 ASP 40 HB3 ASP 40 18.195 -8.438 18.707 308 H GLY 41 H GLY 41 14.980 -6.927 17.574 309 HA2 GLY 41 HA2 GLY 41 15.528 -5.238 19.833 310 HA3 GLY 41 HA3 GLY 41 15.232 -4.257 18.406 311 H VAL 42 H VAL 42 13.350 -3.354 19.268 312 HA VAL 42 HA VAL 42 11.121 -5.280 19.729 313 HB VAL 42 HB VAL 42 11.352 -2.336 20.405 314 HG11 VAL 42 HG11 VAL 42 9.116 -2.371 20.335 315 HG12 VAL 42 HG12 VAL 42 9.055 -4.133 20.250 316 HG13 VAL 42 HG13 VAL 42 9.221 -3.329 21.811 317 HG21 VAL 42 HG21 VAL 42 11.010 -3.524 22.759 318 HG22 VAL 42 HG22 VAL 42 11.794 -4.855 21.908 319 HG23 VAL 42 HG23 VAL 42 12.607 -3.296 22.045 320 H TRP 43 H TRP 43 9.687 -5.616 18.185 321 HA TRP 43 HA TRP 43 9.651 -3.811 15.858 322 HB2 TRP 43 HB2 TRP 43 8.387 -6.478 16.492 323 HB3 TRP 43 HB3 TRP 43 7.905 -5.553 15.073 324 HD1 TRP 43 HD1 TRP 43 9.978 -8.333 15.760 325 HE1 TRP 43 HE1 TRP 43 11.965 -8.534 14.137 326 HE3 TRP 43 HE3 TRP 43 9.933 -3.598 13.832 327 HZ2 TRP 43 HZ2 TRP 43 13.333 -6.901 12.285 328 HZ3 TRP 43 HZ3 TRP 43 11.615 -2.998 12.140 329 HH2 TRP 43 HH2 TRP 43 13.280 -4.617 11.384 330 H THR 44 H THR 44 8.237 -2.240 15.507 331 HA THR 44 HA THR 44 5.557 -2.405 16.747 332 HB THR 44 HB THR 44 5.747 -0.034 17.571 333 HG1 THR 44 HG1 THR 44 7.582 0.692 16.536 334 HG21 THR 44 HG21 THR 44 6.428 -0.698 19.664 335 HG22 THR 44 HG22 THR 44 7.788 -1.634 19.044 336 HG23 THR 44 HG23 THR 44 6.148 -2.268 18.912 337 H TYR 45 H TYR 45 3.989 -1.086 15.766 338 HA TYR 45 HA TYR 45 4.632 0.823 13.721 339 HB2 TYR 45 HB2 TYR 45 4.465 -0.339 11.762 340 HB3 TYR 45 HB3 TYR 45 5.091 -1.646 12.761 341 HD1 TYR 45 HD2 TYR 45 3.397 -3.253 13.808 342 HD2 TYR 45 HD1 TYR 45 2.410 -0.561 10.664 343 HE1 TYR 45 HE2 TYR 45 1.424 -4.618 13.267 344 HE2 TYR 45 HE1 TYR 45 0.432 -1.918 10.116 345 HH TYR 45 HH TYR 45 -0.106 -5.036 11.527 346 H ASP 46 H ASP 46 2.777 1.792 12.777 347 HA ASP 46 HA ASP 46 0.266 1.069 14.235 348 HB2 ASP 46 HB2 ASP 46 0.905 3.230 14.956 349 HB3 ASP 46 HB3 ASP 46 1.376 3.730 13.334 350 H ASP 47 H ASP 47 -1.653 0.916 13.140 351 HA ASP 47 HA ASP 47 -1.534 0.091 10.427 352 HB2 ASP 47 HB2 ASP 47 -3.385 -0.727 11.561 353 HB3 ASP 47 HB3 ASP 47 -3.740 0.820 12.324 354 H ALA 48 H ALA 48 -2.640 3.172 11.877 355 HA ALA 48 HA ALA 48 -3.500 4.454 9.542 356 HB1 ALA 48 HB1 ALA 48 -2.106 6.359 11.145 357 HB2 ALA 48 HB2 ALA 48 -3.842 6.075 11.020 358 HB3 ALA 48 HB3 ALA 48 -2.888 5.192 12.212 359 H THR 49 H THR 49 -0.199 4.159 10.854 360 HA THR 49 HA THR 49 0.820 5.509 8.397 361 HB THR 49 HB THR 49 1.570 6.317 10.673 362 HG1 THR 49 HG1 THR 49 3.141 6.984 9.432 363 HG21 THR 49 HG21 THR 49 2.004 3.604 11.138 364 HG22 THR 49 HG22 THR 49 2.499 4.945 12.171 365 HG23 THR 49 HG23 THR 49 3.618 4.294 10.975 366 H LYS 50 H LYS 50 3.277 4.572 8.056 367 HA LYS 50 HA LYS 50 3.100 1.606 7.985 368 HB2 LYS 50 HB2 LYS 50 3.762 3.291 5.553 369 HB3 LYS 50 HB3 LYS 50 3.728 1.535 5.631 370 HG2 LYS 50 HG2 LYS 50 1.621 1.621 4.961 371 HG3 LYS 50 HG3 LYS 50 1.213 2.349 6.516 372 HD2 LYS 50 HD2 LYS 50 2.273 4.081 4.329 373 HD3 LYS 50 HD3 LYS 50 0.590 3.553 4.270 374 HE2 LYS 50 HE2 LYS 50 0.409 4.408 6.662 375 HE3 LYS 50 HE3 LYS 50 1.961 5.196 6.382 376 HZ1 LYS 50 HZ1 LYS 50 -0.513 6.197 5.765 377 HZ2 LYS 50 HZ2 LYS 50 0.120 5.719 4.272 378 HZ3 LYS 50 HZ3 LYS 50 0.976 6.808 5.243 379 H THR 51 H THR 51 4.630 3.391 9.634 380 HA THR 51 HA THR 51 7.374 2.987 8.521 381 HB THR 51 HB THR 51 6.889 5.304 9.127 382 HG1 THR 51 HG1 THR 51 8.636 5.529 10.689 383 HG21 THR 51 HG21 THR 51 5.593 5.802 10.868 384 HG22 THR 51 HG22 THR 51 6.830 5.178 11.960 385 HG23 THR 51 HG23 THR 51 5.569 4.106 11.351 386 H PHE 52 H PHE 52 8.862 1.761 9.552 387 HA PHE 52 HA PHE 52 7.993 0.526 12.134 388 HB2 PHE 52 HB2 PHE 52 9.316 -0.786 9.746 389 HB3 PHE 52 HB3 PHE 52 9.246 -1.533 11.339 390 HD1 PHE 52 HD1 PHE 52 6.937 0.111 8.909 391 HD2 PHE 52 HD2 PHE 52 7.557 -3.033 11.710 392 HE1 PHE 52 HE1 PHE 52 4.711 -0.795 8.379 393 HE2 PHE 52 HE2 PHE 52 5.333 -3.945 11.184 394 HZ PHE 52 HZ PHE 52 3.908 -2.826 9.517 395 H THR 53 H THR 53 9.483 0.352 13.731 396 HA THR 53 HA THR 53 12.273 1.179 13.057 397 HB THR 53 HB THR 53 10.749 2.117 15.505 398 HG1 THR 53 HG1 THR 53 11.629 3.858 13.486 399 HG21 THR 53 HG21 THR 53 13.543 2.501 14.495 400 HG22 THR 53 HG22 THR 53 12.988 2.105 16.122 401 HG23 THR 53 HG23 THR 53 12.780 3.739 15.492 402 H VAL 54 H VAL 54 13.899 0.167 14.155 403 HA VAL 54 HA VAL 54 13.052 -1.819 16.223 404 HB VAL 54 HB VAL 54 13.406 -3.072 14.187 405 HG11 VAL 54 HG11 VAL 54 14.865 -2.471 12.625 406 HG12 VAL 54 HG12 VAL 54 15.362 -1.125 13.651 407 HG13 VAL 54 HG13 VAL 54 16.207 -2.670 13.750 408 HG21 VAL 54 HG21 VAL 54 15.072 -4.628 14.934 409 HG22 VAL 54 HG22 VAL 54 15.844 -3.395 15.932 410 HG23 VAL 54 HG23 VAL 54 14.237 -3.988 16.349 411 H THR 55 H THR 55 14.042 -1.464 18.079 412 HA THR 55 HA THR 55 16.751 -0.194 17.977 413 HB THR 55 HB THR 55 15.024 1.234 19.025 414 HG1 THR 55 HG1 THR 55 16.807 1.777 20.044 415 HG21 THR 55 HG21 THR 55 13.741 -0.813 19.926 416 HG22 THR 55 HG22 THR 55 13.817 0.631 20.935 417 HG23 THR 55 HG23 THR 55 14.868 -0.742 21.280 418 H GLU 56 H GLU 56 18.426 -1.195 18.912 419 HA GLU 56 HA GLU 56 18.011 -3.907 19.893 420 HB2 GLU 56 HB2 GLU 56 20.379 -2.139 19.384 421 HB3 GLU 56 HB3 GLU 56 20.585 -3.570 20.384 422 HG2 GLU 56 HG2 GLU 56 19.932 -5.007 18.615 423 HG3 GLU 56 HG3 GLU 56 19.387 -3.651 17.630 Start of MODEL 21 1 H1 MET 1 H MET 1 -0.444 -0.030 0.780 2 HA MET 1 HA MET 1 0.803 -0.543 -1.065 3 HB2 MET 1 HB2 MET 1 0.661 2.326 -0.756 4 HB3 MET 1 HB3 MET 1 2.142 1.868 -1.586 5 HG2 MET 1 HG2 MET 1 1.058 1.177 -3.432 6 HG3 MET 1 HG3 MET 1 -0.312 0.545 -2.523 7 HE1 MET 1 HE1 MET 1 1.225 3.786 -4.271 8 HE2 MET 1 HE2 MET 1 0.388 2.550 -5.211 9 HE3 MET 1 HE3 MET 1 -0.322 4.155 -5.033 10 H GLN 2 H GLN 2 2.952 1.876 0.458 11 HA GLN 2 HA GLN 2 5.041 -0.262 0.572 12 HB2 GLN 2 HB2 GLN 2 6.647 1.754 0.231 13 HB3 GLN 2 HB3 GLN 2 5.817 1.080 -1.165 14 HG2 GLN 2 HG2 GLN 2 4.137 2.868 -1.000 15 HG3 GLN 2 HG3 GLN 2 5.034 3.558 0.351 16 HE21 GLN 2 HE21 GLN 2 7.137 4.398 -0.046 17 HE22 GLN 2 HE22 GLN 2 7.580 4.948 -1.622 18 H TYR 3 H TYR 3 5.988 -0.568 2.478 19 HA TYR 3 HA TYR 3 5.234 1.279 4.668 20 HB2 TYR 3 HB2 TYR 3 6.750 -1.333 4.878 21 HB3 TYR 3 HB3 TYR 3 5.905 -0.473 6.160 22 HD1 TYR 3 HD2 TYR 3 5.462 -2.511 3.118 23 HD2 TYR 3 HD1 TYR 3 3.550 -0.725 6.474 24 HE1 TYR 3 HE2 TYR 3 3.437 -3.828 2.658 25 HE2 TYR 3 HE1 TYR 3 1.520 -2.039 6.024 26 HH TYR 3 HH TYR 3 1.238 -4.058 3.150 27 H LYS 4 H LYS 4 6.734 2.183 6.120 28 HA LYS 4 HA LYS 4 9.447 2.507 4.905 29 HB2 LYS 4 HB2 LYS 4 8.150 4.581 5.039 30 HB3 LYS 4 HB3 LYS 4 7.901 4.340 6.763 31 HG2 LYS 4 HG2 LYS 4 9.645 5.998 6.272 32 HG3 LYS 4 HG3 LYS 4 10.257 4.619 7.189 33 HD2 LYS 4 HD2 LYS 4 11.717 4.108 5.584 34 HD3 LYS 4 HD3 LYS 4 10.463 4.161 4.343 35 HE2 LYS 4 HE2 LYS 4 11.732 6.640 5.480 36 HE3 LYS 4 HE3 LYS 4 12.394 5.789 4.085 37 HZ1 LYS 4 HZ1 LYS 4 10.279 6.114 2.945 38 HZ2 LYS 4 HZ2 LYS 4 10.964 7.594 3.392 39 HZ3 LYS 4 HZ3 LYS 4 9.671 6.959 4.278 40 H LEU 5 H LEU 5 11.237 2.002 6.027 41 HA LEU 5 HA LEU 5 10.868 1.291 8.906 42 HB2 LEU 5 HB2 LEU 5 10.969 -0.771 7.691 43 HB3 LEU 5 HB3 LEU 5 12.370 -0.226 6.770 44 HG LEU 5 HG LEU 5 13.735 -0.311 8.803 45 HD11 LEU 5 HD11 LEU 5 11.127 -0.623 10.049 46 HD12 LEU 5 HD12 LEU 5 12.665 -0.116 10.748 47 HD13 LEU 5 HD13 LEU 5 12.293 -1.832 10.587 48 HD21 LEU 5 HD21 LEU 5 14.098 -2.573 8.715 49 HD22 LEU 5 HD22 LEU 5 13.160 -2.340 7.239 50 HD23 LEU 5 HD23 LEU 5 12.378 -2.961 8.693 51 H VAL 6 H VAL 6 12.553 1.750 10.291 52 HA VAL 6 HA VAL 6 14.898 3.139 9.071 53 HB VAL 6 HB VAL 6 13.324 4.113 11.470 54 HG11 VAL 6 HG11 VAL 6 14.902 6.052 11.345 55 HG12 VAL 6 HG12 VAL 6 15.643 4.533 11.853 56 HG13 VAL 6 HG13 VAL 6 15.867 5.116 10.204 57 HG21 VAL 6 HG21 VAL 6 12.078 5.151 9.941 58 HG22 VAL 6 HG22 VAL 6 13.496 6.139 9.588 59 HG23 VAL 6 HG23 VAL 6 13.169 4.693 8.634 60 H ILE 7 H ILE 7 16.644 2.014 9.584 61 HA ILE 7 HA ILE 7 16.657 0.460 12.105 62 HB ILE 7 HB ILE 7 18.671 0.550 9.843 63 HG12 ILE 7 HG12 ILE 7 16.986 -1.832 10.441 64 HG13 ILE 7 HG13 ILE 7 16.216 -0.473 9.630 65 HG21 ILE 7 HG21 ILE 7 18.474 -1.288 12.225 66 HG22 ILE 7 HG22 ILE 7 19.606 -1.466 10.885 67 HG23 ILE 7 HG23 ILE 7 19.713 -0.064 11.950 68 HD11 ILE 7 HD11 ILE 7 17.590 -2.511 8.420 69 HD12 ILE 7 HD12 ILE 7 17.191 -0.954 7.692 70 HD13 ILE 7 HD13 ILE 7 18.768 -1.198 8.445 71 H ASN 8 H ASN 8 17.368 1.376 13.898 72 HA ASN 8 HA ASN 8 19.624 3.327 13.643 73 HB2 ASN 8 HB2 ASN 8 17.175 3.353 15.398 74 HB3 ASN 8 HB3 ASN 8 18.638 4.199 15.893 75 HD21 ASN 8 HD21 ASN 8 19.605 5.439 13.861 76 HD22 ASN 8 HD22 ASN 8 18.464 6.481 13.089 77 H GLY 9 H GLY 9 20.720 1.074 13.749 78 HA2 GLY 9 HA2 GLY 9 20.815 -0.075 16.442 79 HA3 GLY 9 HA3 GLY 9 21.748 -0.588 15.044 80 H LYS 10 H LYS 10 22.372 0.088 17.966 81 HA LYS 10 HA LYS 10 23.888 2.431 18.164 82 HB2 LYS 10 HB2 LYS 10 23.347 0.516 19.887 83 HB3 LYS 10 HB3 LYS 10 24.910 -0.115 19.386 84 HG2 LYS 10 HG2 LYS 10 25.948 1.305 20.726 85 HG3 LYS 10 HG3 LYS 10 25.167 2.674 19.932 86 HD2 LYS 10 HD2 LYS 10 23.201 2.367 21.382 87 HD3 LYS 10 HD3 LYS 10 24.025 1.035 22.196 88 HE2 LYS 10 HE2 LYS 10 25.764 2.540 22.960 89 HE3 LYS 10 HE3 LYS 10 25.033 3.875 22.071 90 HZ1 LYS 10 HZ1 LYS 10 23.723 2.404 24.293 91 HZ2 LYS 10 HZ2 LYS 10 23.106 3.754 23.484 92 HZ3 LYS 10 HZ3 LYS 10 24.488 3.905 24.448 93 H THR 11 H THR 11 24.593 -0.528 16.447 94 HA THR 11 HA THR 11 27.322 0.538 15.837 95 HB THR 11 HB THR 11 27.932 -1.769 15.213 96 HG1 THR 11 HG1 THR 11 26.348 -3.423 15.965 97 HG21 THR 11 HG21 THR 11 28.626 -1.918 17.324 98 HG22 THR 11 HG22 THR 11 27.046 -2.557 17.780 99 HG23 THR 11 HG23 THR 11 27.347 -0.821 17.845 100 H LEU 12 H LEU 12 24.497 -1.161 14.440 101 HA LEU 12 HA LEU 12 25.418 -0.252 11.749 102 HB2 LEU 12 HB2 LEU 12 25.090 -2.630 11.902 103 HB3 LEU 12 HB3 LEU 12 23.485 -2.414 12.596 104 HG LEU 12 HG LEU 12 22.594 -1.680 10.517 105 HD11 LEU 12 HD11 LEU 12 24.453 -1.847 8.557 106 HD12 LEU 12 HD12 LEU 12 25.418 -1.189 9.878 107 HD13 LEU 12 HD13 LEU 12 23.965 -0.345 9.342 108 HD21 LEU 12 HD21 LEU 12 23.568 -4.204 10.919 109 HD22 LEU 12 HD22 LEU 12 24.247 -3.787 9.345 110 HD23 LEU 12 HD23 LEU 12 22.502 -3.719 9.599 111 H LYS 13 H LYS 13 24.420 1.377 10.791 112 HA LYS 13 HA LYS 13 21.586 1.919 11.562 113 HB2 LYS 13 HB2 LYS 13 23.860 3.567 12.100 114 HB3 LYS 13 HB3 LYS 13 22.877 4.376 10.887 115 HG2 LYS 13 HG2 LYS 13 21.015 4.482 12.299 116 HG3 LYS 13 HG3 LYS 13 21.677 3.275 13.404 117 HD2 LYS 13 HD2 LYS 13 23.408 5.597 13.093 118 HD3 LYS 13 HD3 LYS 13 21.810 6.012 13.717 119 HE2 LYS 13 HE2 LYS 13 22.264 3.928 15.272 120 HE3 LYS 13 HE3 LYS 13 23.945 4.318 14.915 121 HZ1 LYS 13 HZ1 LYS 13 22.483 5.442 16.878 122 HZ2 LYS 13 HZ2 LYS 13 22.339 6.596 15.649 123 HZ3 LYS 13 HZ3 LYS 13 23.870 6.130 16.196 124 H GLY 14 H GLY 14 20.218 2.370 9.924 125 HA2 GLY 14 HA2 GLY 14 21.026 3.494 7.426 126 HA3 GLY 14 HA3 GLY 14 20.965 1.745 7.269 127 H GLU 15 H GLU 15 19.308 2.226 5.643 128 HA GLU 15 HA GLU 15 16.662 2.174 6.950 129 HB2 GLU 15 HB2 GLU 15 17.518 4.591 6.074 130 HB3 GLU 15 HB3 GLU 15 16.797 3.973 4.595 131 HG2 GLU 15 HG2 GLU 15 14.675 3.855 5.526 132 HG3 GLU 15 HG3 GLU 15 15.293 3.890 7.177 133 H THR 16 H THR 16 14.903 1.717 5.318 134 HA THR 16 HA THR 16 15.549 0.712 2.726 135 HB THR 16 HB THR 16 16.742 -1.070 3.842 136 HG1 THR 16 HG1 THR 16 15.829 -2.176 2.280 137 HG21 THR 16 HG21 THR 16 15.451 -2.638 5.357 138 HG22 THR 16 HG22 THR 16 14.217 -1.382 5.456 139 HG23 THR 16 HG23 THR 16 15.850 -1.062 6.040 140 H THR 17 H THR 17 13.740 -0.515 1.740 141 HA THR 17 HA THR 17 11.186 -0.211 3.237 142 HB THR 17 HB THR 17 10.080 0.844 1.341 143 HG1 THR 17 HG1 THR 17 11.002 0.628 -0.546 144 HG21 THR 17 HG21 THR 17 12.604 2.285 2.164 145 HG22 THR 17 HG22 THR 17 11.041 2.344 2.980 146 HG23 THR 17 HG23 THR 17 11.223 3.043 1.371 147 H THR 18 H THR 18 9.326 -1.207 1.965 148 HA THR 18 HA THR 18 10.097 -3.292 0.057 149 HB THR 18 HB THR 18 10.615 -4.285 2.326 150 HG1 THR 18 HG1 THR 18 10.258 -5.799 0.806 151 HG21 THR 18 HG21 THR 18 9.078 -4.474 3.961 152 HG22 THR 18 HG22 THR 18 7.777 -4.845 2.830 153 HG23 THR 18 HG23 THR 18 8.254 -3.170 3.107 154 H LYS 19 H LYS 19 8.015 -4.875 -0.106 155 HA LYS 19 HA LYS 19 5.558 -3.218 0.090 156 HB2 LYS 19 HB2 LYS 19 6.840 -4.200 -2.435 157 HB3 LYS 19 HB3 LYS 19 5.085 -4.167 -2.336 158 HG2 LYS 19 HG2 LYS 19 5.158 -1.779 -1.821 159 HG3 LYS 19 HG3 LYS 19 6.920 -1.814 -1.927 160 HD2 LYS 19 HD2 LYS 19 4.997 -2.466 -4.162 161 HD3 LYS 19 HD3 LYS 19 5.918 -0.969 -3.993 162 HE2 LYS 19 HE2 LYS 19 7.821 -2.982 -3.796 163 HE3 LYS 19 HE3 LYS 19 6.728 -3.538 -5.062 164 HZ1 LYS 19 HZ1 LYS 19 8.144 -2.261 -6.277 165 HZ2 LYS 19 HZ2 LYS 19 8.471 -1.187 -5.011 166 HZ3 LYS 19 HZ3 LYS 19 7.014 -1.071 -5.863 167 H ALA 20 H ALA 20 3.929 -4.362 0.878 168 HA ALA 20 HA ALA 20 3.722 -7.233 0.190 169 HB1 ALA 20 HB1 ALA 20 4.781 -7.751 2.121 170 HB2 ALA 20 HB2 ALA 20 4.423 -6.196 2.872 171 HB3 ALA 20 HB3 ALA 20 3.188 -7.454 2.817 172 H VAL 21 H VAL 21 1.650 -8.073 0.330 173 HA VAL 21 HA VAL 21 -0.490 -6.355 -0.164 174 HB VAL 21 HB VAL 21 -0.743 -9.044 1.203 175 HG11 VAL 21 HG11 VAL 21 -2.655 -7.161 0.347 176 HG12 VAL 21 HG12 VAL 21 -2.706 -8.500 -0.802 177 HG13 VAL 21 HG13 VAL 21 -2.931 -8.805 0.921 178 HG21 VAL 21 HG21 VAL 21 0.388 -9.822 -0.571 179 HG22 VAL 21 HG22 VAL 21 -1.103 -9.511 -1.461 180 HG23 VAL 21 HG23 VAL 21 0.197 -8.319 -1.475 181 H ASP 22 H ASP 22 0.809 -7.442 2.925 182 HA ASP 22 HA ASP 22 -0.838 -5.397 4.268 183 HB2 ASP 22 HB2 ASP 22 -1.487 -7.097 6.054 184 HB3 ASP 22 HB3 ASP 22 -2.337 -7.225 4.517 185 H ALA 23 H ALA 23 -0.313 -5.656 6.810 186 HA ALA 23 HA ALA 23 2.519 -5.112 6.975 187 HB1 ALA 23 HB1 ALA 23 0.485 -4.224 8.388 188 HB2 ALA 23 HB2 ALA 23 0.870 -5.606 9.415 189 HB3 ALA 23 HB3 ALA 23 2.091 -4.371 9.104 190 H GLU 24 H GLU 24 0.421 -7.758 8.157 191 HA GLU 24 HA GLU 24 2.330 -9.223 9.582 192 HB2 GLU 24 HB2 GLU 24 0.956 -11.228 8.989 193 HB3 GLU 24 HB3 GLU 24 0.015 -9.872 9.594 194 HG2 GLU 24 HG2 GLU 24 -0.646 -9.293 7.331 195 HG3 GLU 24 HG3 GLU 24 0.337 -10.611 6.694 196 H THR 25 H THR 25 1.760 -9.092 6.084 197 HA THR 25 HA THR 25 3.621 -11.232 5.482 198 HB THR 25 HB THR 25 2.404 -9.062 3.754 199 HG1 THR 25 HG1 THR 25 1.907 -11.835 3.578 200 HG21 THR 25 HG21 THR 25 4.195 -11.370 3.001 201 HG22 THR 25 HG22 THR 25 4.469 -9.652 2.707 202 HG23 THR 25 HG23 THR 25 3.184 -10.500 1.847 203 H ALA 26 H ALA 26 3.834 -7.743 5.886 204 HA ALA 26 HA ALA 26 6.500 -7.572 4.706 205 HB1 ALA 26 HB1 ALA 26 4.479 -5.751 5.624 206 HB2 ALA 26 HB2 ALA 26 6.034 -5.327 6.342 207 HB3 ALA 26 HB3 ALA 26 5.874 -5.444 4.589 208 H GLU 27 H GLU 27 5.127 -8.218 7.848 209 HA GLU 27 HA GLU 27 7.324 -7.463 9.480 210 HB2 GLU 27 HB2 GLU 27 4.889 -9.009 9.747 211 HB3 GLU 27 HB3 GLU 27 6.205 -9.775 10.626 212 HG2 GLU 27 HG2 GLU 27 6.245 -6.964 11.127 213 HG3 GLU 27 HG3 GLU 27 4.624 -7.592 11.418 214 H LYS 28 H LYS 28 6.716 -10.342 7.530 215 HA LYS 28 HA LYS 28 8.870 -11.902 8.645 216 HB2 LYS 28 HB2 LYS 28 7.219 -12.046 6.132 217 HB3 LYS 28 HB3 LYS 28 8.605 -13.108 6.343 218 HG2 LYS 28 HG2 LYS 28 6.828 -14.385 7.100 219 HG3 LYS 28 HG3 LYS 28 7.519 -13.734 8.588 220 HD2 LYS 28 HD2 LYS 28 5.802 -12.106 8.775 221 HD3 LYS 28 HD3 LYS 28 5.225 -12.428 7.138 222 HE2 LYS 28 HE2 LYS 28 4.151 -14.354 7.750 223 HE3 LYS 28 HE3 LYS 28 5.255 -14.674 9.086 224 HZ1 LYS 28 HZ1 LYS 28 3.766 -12.276 9.491 225 HZ2 LYS 28 HZ2 LYS 28 3.916 -13.629 10.495 226 HZ3 LYS 28 HZ3 LYS 28 2.744 -13.608 9.275 227 H ALA 29 H ALA 29 8.557 -9.981 5.631 228 HA ALA 29 HA ALA 29 11.264 -10.406 4.799 229 HB1 ALA 29 HB1 ALA 29 10.308 -9.534 2.988 230 HB2 ALA 29 HB2 ALA 29 8.973 -8.867 3.928 231 HB3 ALA 29 HB3 ALA 29 10.467 -7.949 3.745 232 H PHE 30 H PHE 30 9.685 -7.675 6.505 233 HA PHE 30 HA PHE 30 11.976 -6.040 6.731 234 HB2 PHE 30 HB2 PHE 30 9.412 -6.320 8.239 235 HB3 PHE 30 HB3 PHE 30 10.693 -5.361 8.972 236 HD1 PHE 30 HD2 PHE 30 11.916 -3.976 6.782 237 HD2 PHE 30 HD1 PHE 30 7.809 -4.900 7.412 238 HE1 PHE 30 HE2 PHE 30 11.273 -2.052 5.389 239 HE2 PHE 30 HE1 PHE 30 7.159 -2.979 6.020 240 HZ PHE 30 HZ PHE 30 8.892 -1.551 5.007 241 H LYS 31 H LYS 31 10.732 -8.565 8.935 242 HA LYS 31 HA LYS 31 12.770 -8.222 10.913 243 HB2 LYS 31 HB2 LYS 31 10.899 -10.472 10.194 244 HB3 LYS 31 HB3 LYS 31 12.113 -10.678 11.450 245 HG2 LYS 31 HG2 LYS 31 10.051 -8.486 11.447 246 HG3 LYS 31 HG3 LYS 31 9.861 -10.030 12.282 247 HD2 LYS 31 HD2 LYS 31 12.397 -8.917 12.969 248 HD3 LYS 31 HD3 LYS 31 11.153 -7.686 13.201 249 HE2 LYS 31 HE2 LYS 31 10.857 -8.676 15.194 250 HE3 LYS 31 HE3 LYS 31 9.948 -9.873 14.273 251 HZ1 LYS 31 HZ1 LYS 31 11.451 -11.417 14.738 252 HZ2 LYS 31 HZ2 LYS 31 12.161 -10.336 15.827 253 HZ3 LYS 31 HZ3 LYS 31 12.737 -10.436 14.239 254 H GLN 32 H GLN 32 12.543 -10.223 7.989 255 HA GLN 32 HA GLN 32 14.726 -11.921 8.380 256 HB2 GLN 32 HB2 GLN 32 13.211 -12.043 6.449 257 HB3 GLN 32 HB3 GLN 32 13.887 -10.552 5.809 258 HG2 GLN 32 HG2 GLN 32 15.339 -11.776 4.680 259 HG3 GLN 32 HG3 GLN 32 16.077 -12.225 6.217 260 HE21 GLN 32 HE21 GLN 32 16.391 -14.317 6.347 261 HE22 GLN 32 HE22 GLN 32 15.338 -15.551 5.753 262 H TYR 33 H TYR 33 14.734 -8.608 7.027 263 HA TYR 33 HA TYR 33 17.538 -8.508 6.533 264 HB2 TYR 33 HB2 TYR 33 15.528 -6.886 5.899 265 HB3 TYR 33 HB3 TYR 33 16.063 -6.033 7.343 266 HD1 TYR 33 HD2 TYR 33 17.576 -7.584 4.291 267 HD2 TYR 33 HD1 TYR 33 17.579 -4.329 7.032 268 HE1 TYR 33 HE2 TYR 33 19.347 -6.490 2.981 269 HE2 TYR 33 HE1 TYR 33 19.349 -3.225 5.729 270 HH TYR 33 HH TYR 33 20.132 -4.021 2.650 271 H ALA 34 H ALA 34 15.669 -8.246 9.451 272 HA ALA 34 HA ALA 34 17.591 -6.777 11.007 273 HB1 ALA 34 HB1 ALA 34 15.022 -7.770 11.389 274 HB2 ALA 34 HB2 ALA 34 16.008 -8.652 12.556 275 HB3 ALA 34 HB3 ALA 34 16.000 -6.889 12.564 276 H ASN 35 H ASN 35 16.885 -10.280 10.701 277 HA ASN 35 HA ASN 35 18.949 -11.111 12.493 278 HB2 ASN 35 HB2 ASN 35 17.205 -12.390 10.459 279 HB3 ASN 35 HB3 ASN 35 18.695 -13.248 10.840 280 HD21 ASN 35 HD21 ASN 35 17.203 -14.879 11.639 281 HD22 ASN 35 HD22 ASN 35 16.600 -14.742 13.252 282 H ASP 36 H ASP 36 18.857 -10.908 8.916 283 HA ASP 36 HA ASP 36 21.474 -11.842 8.437 284 HB2 ASP 36 HB2 ASP 36 19.964 -9.704 6.899 285 HB3 ASP 36 HB3 ASP 36 21.318 -10.655 6.295 286 H ASN 37 H ASN 37 20.323 -8.696 9.520 287 HA ASN 37 HA ASN 37 23.064 -7.582 9.266 288 HB2 ASN 37 HB2 ASN 37 20.336 -6.414 9.747 289 HB3 ASN 37 HB3 ASN 37 21.768 -5.503 10.217 290 HD21 ASN 37 HD21 ASN 37 19.842 -6.662 7.614 291 HD22 ASN 37 HD22 ASN 37 20.679 -5.843 6.343 292 H GLY 38 H GLY 38 21.531 -9.502 11.393 293 HA2 GLY 38 HA2 GLY 38 21.866 -9.951 13.636 294 HA3 GLY 38 HA3 GLY 38 23.362 -9.039 13.500 295 H VAL 39 H VAL 39 20.453 -7.372 12.697 296 HA VAL 39 HA VAL 39 20.703 -5.868 15.264 297 HB VAL 39 HB VAL 39 19.535 -5.057 12.591 298 HG11 VAL 39 HG11 VAL 39 19.435 -3.724 15.275 299 HG12 VAL 39 HG12 VAL 39 19.369 -2.786 13.781 300 HG13 VAL 39 HG13 VAL 39 18.130 -3.994 14.120 301 HG21 VAL 39 HG21 VAL 39 21.605 -3.411 13.830 302 HG22 VAL 39 HG22 VAL 39 22.141 -5.045 13.437 303 HG23 VAL 39 HG23 VAL 39 21.471 -4.009 12.177 304 H ASP 40 H ASP 40 19.357 -6.705 16.734 305 HA ASP 40 HA ASP 40 16.487 -6.886 15.943 306 HB2 ASP 40 HB2 ASP 40 17.492 -9.172 15.994 307 HB3 ASP 40 HB3 ASP 40 17.915 -8.918 17.685 308 H GLY 41 H GLY 41 15.003 -6.883 17.831 309 HA2 GLY 41 HA2 GLY 41 15.632 -6.342 20.454 310 HA3 GLY 41 HA3 GLY 41 15.864 -4.787 19.668 311 H VAL 42 H VAL 42 14.204 -3.482 19.971 312 HA VAL 42 HA VAL 42 11.500 -4.713 20.199 313 HB VAL 42 HB VAL 42 12.542 -1.990 21.009 314 HG11 VAL 42 HG11 VAL 42 10.175 -1.858 22.056 315 HG12 VAL 42 HG12 VAL 42 10.380 -1.478 20.345 316 HG13 VAL 42 HG13 VAL 42 9.750 -3.053 20.831 317 HG21 VAL 42 HG21 VAL 42 12.055 -4.540 22.380 318 HG22 VAL 42 HG22 VAL 42 13.132 -3.209 22.805 319 HG23 VAL 42 HG23 VAL 42 11.417 -3.119 23.208 320 H TRP 43 H TRP 43 10.175 -4.652 18.528 321 HA TRP 43 HA TRP 43 10.689 -2.588 16.432 322 HB2 TRP 43 HB2 TRP 43 9.488 -5.351 16.360 323 HB3 TRP 43 HB3 TRP 43 9.151 -4.191 15.077 324 HD1 TRP 43 HD1 TRP 43 12.301 -5.688 16.798 325 HE1 TRP 43 HE1 TRP 43 14.105 -6.009 14.991 326 HE3 TRP 43 HE3 TRP 43 9.786 -3.752 12.790 327 HZ2 TRP 43 HZ2 TRP 43 14.420 -5.507 12.231 328 HZ3 TRP 43 HZ3 TRP 43 10.911 -3.709 10.602 329 HH2 TRP 43 HH2 TRP 43 13.180 -4.568 10.330 330 H THR 44 H THR 44 8.819 -1.674 15.314 331 HA THR 44 HA THR 44 6.337 -1.673 16.958 332 HB THR 44 HB THR 44 6.207 0.836 16.632 333 HG1 THR 44 HG1 THR 44 7.737 1.624 15.402 334 HG21 THR 44 HG21 THR 44 7.144 1.209 18.684 335 HG22 THR 44 HG22 THR 44 8.610 0.308 18.300 336 HG23 THR 44 HG23 THR 44 7.126 -0.554 18.702 337 H TYR 45 H TYR 45 4.447 -0.957 15.850 338 HA TYR 45 HA TYR 45 4.756 -0.677 12.902 339 HB2 TYR 45 HB2 TYR 45 4.289 -2.988 13.059 340 HB3 TYR 45 HB3 TYR 45 3.121 -2.760 14.355 341 HD1 TYR 45 HD1 TYR 45 3.384 -0.972 11.099 342 HD2 TYR 45 HD2 TYR 45 1.140 -3.661 13.515 343 HE1 TYR 45 HE1 TYR 45 1.565 -0.930 9.445 344 HE2 TYR 45 HE2 TYR 45 -0.685 -3.628 11.867 345 HH TYR 45 HH TYR 45 -1.479 -2.645 10.018 346 H ASP 46 H ASP 46 3.599 0.946 12.126 347 HA ASP 46 HA ASP 46 1.173 1.777 13.664 348 HB2 ASP 46 HB2 ASP 46 3.240 3.267 13.985 349 HB3 ASP 46 HB3 ASP 46 3.025 3.739 12.302 350 H ASP 47 H ASP 47 -0.217 0.751 12.238 351 HA ASP 47 HA ASP 47 -0.102 0.769 9.447 352 HB2 ASP 47 HB2 ASP 47 -2.336 0.087 9.476 353 HB3 ASP 47 HB3 ASP 47 -1.777 -0.370 11.083 354 H ALA 48 H ALA 48 -1.047 3.334 11.650 355 HA ALA 48 HA ALA 48 -2.536 5.015 10.012 356 HB1 ALA 48 HB1 ALA 48 -2.146 6.613 11.569 357 HB2 ALA 48 HB2 ALA 48 -1.480 5.250 12.470 358 HB3 ALA 48 HB3 ALA 48 -0.404 6.335 11.590 359 H THR 49 H THR 49 0.990 4.545 10.050 360 HA THR 49 HA THR 49 1.080 5.942 7.417 361 HB THR 49 HB THR 49 3.047 7.166 7.972 362 HG1 THR 49 HG1 THR 49 4.362 6.418 9.440 363 HG21 THR 49 HG21 THR 49 0.728 7.884 8.950 364 HG22 THR 49 HG22 THR 49 2.192 8.746 9.426 365 HG23 THR 49 HG23 THR 49 1.493 7.533 10.499 366 H LYS 50 H LYS 50 1.075 3.097 8.332 367 HA LYS 50 HA LYS 50 2.435 1.189 8.195 368 HB2 LYS 50 HB2 LYS 50 3.374 1.185 5.696 369 HB3 LYS 50 HB3 LYS 50 1.662 0.999 6.052 370 HG2 LYS 50 HG2 LYS 50 1.275 3.340 5.592 371 HG3 LYS 50 HG3 LYS 50 3.002 3.599 5.334 372 HD2 LYS 50 HD2 LYS 50 2.316 3.348 3.166 373 HD3 LYS 50 HD3 LYS 50 2.667 1.664 3.565 374 HE2 LYS 50 HE2 LYS 50 0.571 1.129 3.070 375 HE3 LYS 50 HE3 LYS 50 0.009 2.177 4.371 376 HZ1 LYS 50 HZ1 LYS 50 -0.047 2.596 1.526 377 HZ2 LYS 50 HZ2 LYS 50 0.555 3.923 2.383 378 HZ3 LYS 50 HZ3 LYS 50 -0.980 3.311 2.742 379 H THR 51 H THR 51 3.903 2.913 9.667 380 HA THR 51 HA THR 51 6.631 2.637 8.464 381 HB THR 51 HB THR 51 5.619 4.779 10.357 382 HG1 THR 51 HG1 THR 51 5.408 4.727 7.832 383 HG21 THR 51 HG21 THR 51 8.006 5.689 9.826 384 HG22 THR 51 HG22 THR 51 8.375 3.996 9.497 385 HG23 THR 51 HG23 THR 51 7.794 4.478 11.090 386 H PHE 52 H PHE 52 8.009 1.372 9.512 387 HA PHE 52 HA PHE 52 7.265 0.564 12.289 388 HB2 PHE 52 HB2 PHE 52 9.033 -0.859 10.275 389 HB3 PHE 52 HB3 PHE 52 8.601 -1.457 11.873 390 HD1 PHE 52 HD2 PHE 52 7.141 -0.454 8.612 391 HD2 PHE 52 HD1 PHE 52 6.684 -2.734 12.177 392 HE1 PHE 52 HE2 PHE 52 5.143 -1.530 7.663 393 HE2 PHE 52 HE1 PHE 52 4.684 -3.815 11.233 394 HZ PHE 52 HZ PHE 52 3.911 -3.212 8.974 395 H THR 53 H THR 53 9.064 0.074 13.774 396 HA THR 53 HA THR 53 11.500 1.690 13.188 397 HB THR 53 HB THR 53 10.332 1.798 15.946 398 HG1 THR 53 HG1 THR 53 9.546 3.475 13.775 399 HG21 THR 53 HG21 THR 53 11.408 4.250 14.957 400 HG22 THR 53 HG22 THR 53 12.527 2.942 14.571 401 HG23 THR 53 HG23 THR 53 12.027 3.212 16.240 402 H VAL 54 H VAL 54 13.204 0.414 13.365 403 HA VAL 54 HA VAL 54 13.065 -1.816 15.351 404 HB VAL 54 HB VAL 54 13.379 -2.684 13.144 405 HG11 VAL 54 HG11 VAL 54 14.269 -1.417 11.552 406 HG12 VAL 54 HG12 VAL 54 14.898 -0.285 12.751 407 HG13 VAL 54 HG13 VAL 54 15.855 -1.688 12.272 408 HG21 VAL 54 HG21 VAL 54 15.485 -3.848 13.364 409 HG22 VAL 54 HG22 VAL 54 16.077 -2.630 14.493 410 HG23 VAL 54 HG23 VAL 54 14.737 -3.682 14.953 411 H THR 55 H THR 55 14.346 -1.773 17.067 412 HA THR 55 HA THR 55 16.650 0.138 17.003 413 HB THR 55 HB THR 55 14.754 0.688 18.595 414 HG1 THR 55 HG1 THR 55 16.411 0.809 20.440 415 HG21 THR 55 HG21 THR 55 15.829 -1.691 20.113 416 HG22 THR 55 HG22 THR 55 14.276 -1.644 19.278 417 HG23 THR 55 HG23 THR 55 14.572 -0.578 20.652 418 H GLU 56 H GLU 56 18.031 -0.544 19.205 419 HA GLU 56 HA GLU 56 18.903 -3.319 18.535 420 HB2 GLU 56 HB2 GLU 56 20.296 -0.827 19.174 421 HB3 GLU 56 HB3 GLU 56 20.865 -2.183 20.138 422 HG2 GLU 56 HG2 GLU 56 20.702 -2.128 17.133 423 HG3 GLU 56 HG3 GLU 56 22.164 -1.881 18.087 Start of MODEL 22 1 H1 MET 1 H MET 1 0.351 2.788 -1.391 2 HA MET 1 HA MET 1 0.607 1.314 0.374 3 HB2 MET 1 HB2 MET 1 0.904 -0.855 -1.710 4 HB3 MET 1 HB3 MET 1 0.725 -1.089 0.024 5 HG2 MET 1 HG2 MET 1 -1.517 -0.306 -0.018 6 HG3 MET 1 HG3 MET 1 -1.355 0.245 -1.684 7 HE1 MET 1 HE1 MET 1 -2.388 -0.883 -3.452 8 HE2 MET 1 HE2 MET 1 -0.845 -1.679 -3.759 9 HE3 MET 1 HE3 MET 1 -2.340 -2.616 -3.777 10 H GLN 2 H GLN 2 2.454 1.764 1.355 11 HA GLN 2 HA GLN 2 4.919 0.517 0.382 12 HB2 GLN 2 HB2 GLN 2 4.319 3.233 -0.313 13 HB3 GLN 2 HB3 GLN 2 5.657 3.229 0.828 14 HG2 GLN 2 HG2 GLN 2 7.022 2.747 -0.837 15 HG3 GLN 2 HG3 GLN 2 6.209 1.193 -1.016 16 HE21 GLN 2 HE21 GLN 2 6.817 4.233 -2.393 17 HE22 GLN 2 HE22 GLN 2 5.812 4.070 -3.789 18 H TYR 3 H TYR 3 5.924 -0.251 2.101 19 HA TYR 3 HA TYR 3 5.306 0.973 4.735 20 HB2 TYR 3 HB2 TYR 3 6.663 -1.647 4.027 21 HB3 TYR 3 HB3 TYR 3 6.298 -1.101 5.660 22 HD1 TYR 3 HD1 TYR 3 3.709 -0.369 5.937 23 HD2 TYR 3 HD2 TYR 3 5.207 -3.174 3.110 24 HE1 TYR 3 HE1 TYR 3 1.481 -1.401 5.788 25 HE2 TYR 3 HE2 TYR 3 2.983 -4.213 2.952 26 HH TYR 3 HH TYR 3 0.852 -4.102 3.572 27 H LYS 4 H LYS 4 6.776 1.940 6.017 28 HA LYS 4 HA LYS 4 9.550 2.129 4.911 29 HB2 LYS 4 HB2 LYS 4 8.554 4.284 4.787 30 HB3 LYS 4 HB3 LYS 4 7.847 4.139 6.391 31 HG2 LYS 4 HG2 LYS 4 9.721 5.662 6.431 32 HG3 LYS 4 HG3 LYS 4 10.090 4.219 7.378 33 HD2 LYS 4 HD2 LYS 4 11.962 4.028 6.186 34 HD3 LYS 4 HD3 LYS 4 10.953 3.621 4.796 35 HE2 LYS 4 HE2 LYS 4 10.838 5.962 4.166 36 HE3 LYS 4 HE3 LYS 4 11.764 6.415 5.595 37 HZ1 LYS 4 HZ1 LYS 4 13.068 6.283 3.491 38 HZ2 LYS 4 HZ2 LYS 4 12.806 4.612 3.484 39 HZ3 LYS 4 HZ3 LYS 4 13.674 5.327 4.749 40 H LEU 5 H LEU 5 11.298 1.919 6.271 41 HA LEU 5 HA LEU 5 10.689 1.282 9.118 42 HB2 LEU 5 HB2 LEU 5 10.861 -0.866 8.190 43 HB3 LEU 5 HB3 LEU 5 12.188 -0.401 7.127 44 HG LEU 5 HG LEU 5 13.637 -0.199 9.155 45 HD11 LEU 5 HD11 LEU 5 11.117 -0.610 10.462 46 HD12 LEU 5 HD12 LEU 5 12.680 -0.174 11.154 47 HD13 LEU 5 HD13 LEU 5 12.258 -1.872 10.928 48 HD21 LEU 5 HD21 LEU 5 12.468 -2.955 8.969 49 HD22 LEU 5 HD22 LEU 5 14.148 -2.477 9.215 50 HD23 LEU 5 HD23 LEU 5 13.389 -2.252 7.638 51 H VAL 6 H VAL 6 12.383 1.639 10.589 52 HA VAL 6 HA VAL 6 14.722 3.107 9.447 53 HB VAL 6 HB VAL 6 13.125 3.922 11.890 54 HG11 VAL 6 HG11 VAL 6 15.658 5.029 10.695 55 HG12 VAL 6 HG12 VAL 6 14.670 5.894 11.873 56 HG13 VAL 6 HG13 VAL 6 15.429 4.364 12.312 57 HG21 VAL 6 HG21 VAL 6 13.496 5.865 9.749 58 HG22 VAL 6 HG22 VAL 6 12.575 4.446 9.249 59 HG23 VAL 6 HG23 VAL 6 12.034 5.409 10.624 60 H ILE 7 H ILE 7 16.470 1.954 9.887 61 HA ILE 7 HA ILE 7 16.515 0.239 12.287 62 HB ILE 7 HB ILE 7 18.563 0.623 10.088 63 HG12 ILE 7 HG12 ILE 7 17.067 -1.915 10.472 64 HG13 ILE 7 HG13 ILE 7 16.168 -0.557 9.805 65 HG21 ILE 7 HG21 ILE 7 19.211 -1.731 11.171 66 HG22 ILE 7 HG22 ILE 7 19.914 -0.206 11.706 67 HG23 ILE 7 HG23 ILE 7 18.580 -0.926 12.607 68 HD11 ILE 7 HD11 ILE 7 17.147 -2.064 8.103 69 HD12 ILE 7 HD12 ILE 7 17.681 -0.389 7.961 70 HD13 ILE 7 HD13 ILE 7 18.750 -1.598 8.670 71 H ASN 8 H ASN 8 16.916 1.262 14.145 72 HA ASN 8 HA ASN 8 19.138 3.263 14.145 73 HB2 ASN 8 HB2 ASN 8 16.657 2.963 15.830 74 HB3 ASN 8 HB3 ASN 8 18.043 3.870 16.427 75 HD21 ASN 8 HD21 ASN 8 18.951 5.347 14.535 76 HD22 ASN 8 HD22 ASN 8 17.749 6.362 13.821 77 H GLY 9 H GLY 9 20.423 1.131 14.095 78 HA2 GLY 9 HA2 GLY 9 20.523 -0.250 16.685 79 HA3 GLY 9 HA3 GLY 9 21.508 -0.591 15.269 80 H LYS 10 H LYS 10 22.042 -0.111 18.249 81 HA LYS 10 HA LYS 10 23.398 2.290 18.676 82 HB2 LYS 10 HB2 LYS 10 22.980 0.203 20.214 83 HB3 LYS 10 HB3 LYS 10 24.579 -0.287 19.670 84 HG2 LYS 10 HG2 LYS 10 25.632 1.410 20.780 85 HG3 LYS 10 HG3 LYS 10 24.224 2.473 20.717 86 HD2 LYS 10 HD2 LYS 10 23.112 0.836 22.317 87 HD3 LYS 10 HD3 LYS 10 24.714 0.128 22.538 88 HE2 LYS 10 HE2 LYS 10 25.415 1.831 23.819 89 HE3 LYS 10 HE3 LYS 10 24.657 3.042 22.786 90 HZ1 LYS 10 HZ1 LYS 10 23.352 1.435 24.911 91 HZ2 LYS 10 HZ2 LYS 10 22.506 2.416 23.824 92 HZ3 LYS 10 HZ3 LYS 10 23.608 3.107 24.906 93 H THR 11 H THR 11 24.353 -0.476 16.751 94 HA THR 11 HA THR 11 26.962 0.889 16.211 95 HB THR 11 HB THR 11 27.782 -1.345 15.465 96 HG1 THR 11 HG1 THR 11 26.127 -2.650 15.061 97 HG21 THR 11 HG21 THR 11 28.272 -2.142 17.626 98 HG22 THR 11 HG22 THR 11 26.750 -1.542 18.284 99 HG23 THR 11 HG23 THR 11 28.023 -0.409 17.832 100 H LEU 12 H LEU 12 24.249 -0.936 14.787 101 HA LEU 12 HA LEU 12 25.108 0.076 12.110 102 HB2 LEU 12 HB2 LEU 12 24.971 -2.243 11.972 103 HB3 LEU 12 HB3 LEU 12 23.551 -2.324 13.012 104 HG LEU 12 HG LEU 12 22.122 -1.594 11.248 105 HD11 LEU 12 HD11 LEU 12 24.602 -0.577 10.129 106 HD12 LEU 12 HD12 LEU 12 22.936 -0.081 9.831 107 HD13 LEU 12 HD13 LEU 12 23.623 -1.440 8.942 108 HD21 LEU 12 HD21 LEU 12 23.749 -3.394 9.601 109 HD22 LEU 12 HD22 LEU 12 22.086 -3.559 10.164 110 HD23 LEU 12 HD23 LEU 12 23.425 -3.980 11.233 111 H LYS 13 H LYS 13 24.076 1.806 11.411 112 HA LYS 13 HA LYS 13 21.175 2.051 12.099 113 HB2 LYS 13 HB2 LYS 13 23.382 3.902 12.584 114 HB3 LYS 13 HB3 LYS 13 22.091 4.644 11.648 115 HG2 LYS 13 HG2 LYS 13 20.577 4.494 13.354 116 HG3 LYS 13 HG3 LYS 13 21.370 3.096 14.083 117 HD2 LYS 13 HD2 LYS 13 22.972 4.394 15.141 118 HD3 LYS 13 HD3 LYS 13 22.765 5.742 14.020 119 HE2 LYS 13 HE2 LYS 13 20.661 6.320 15.007 120 HE3 LYS 13 HE3 LYS 13 20.667 4.861 15.997 121 HZ1 LYS 13 HZ1 LYS 13 21.954 7.389 16.454 122 HZ2 LYS 13 HZ2 LYS 13 22.994 6.072 16.666 123 HZ3 LYS 13 HZ3 LYS 13 21.556 6.164 17.552 124 H GLY 14 H GLY 14 19.792 2.603 10.486 125 HA2 GLY 14 HA2 GLY 14 20.599 3.868 8.055 126 HA3 GLY 14 HA3 GLY 14 20.562 2.128 7.810 127 H GLU 15 H GLU 15 18.916 2.777 6.185 128 HA GLU 15 HA GLU 15 16.260 2.555 7.462 129 HB2 GLU 15 HB2 GLU 15 17.093 5.052 6.781 130 HB3 GLU 15 HB3 GLU 15 16.361 4.542 5.266 131 HG2 GLU 15 HG2 GLU 15 14.255 4.215 6.284 132 HG3 GLU 15 HG3 GLU 15 14.938 4.352 7.903 133 H THR 16 H THR 16 14.519 2.223 5.772 134 HA THR 16 HA THR 16 15.215 1.436 3.117 135 HB THR 16 HB THR 16 16.396 -0.417 4.207 136 HG1 THR 16 HG1 THR 16 15.521 -1.951 2.902 137 HG21 THR 16 HG21 THR 16 15.558 -1.108 6.174 138 HG22 THR 16 HG22 THR 16 14.480 -2.109 5.201 139 HG23 THR 16 HG23 THR 16 13.936 -0.537 5.785 140 H THR 17 H THR 17 13.428 0.150 2.059 141 HA THR 17 HA THR 17 10.842 0.541 3.496 142 HB THR 17 HB THR 17 9.911 1.221 1.177 143 HG1 THR 17 HG1 THR 17 12.258 0.803 0.354 144 HG21 THR 17 HG21 THR 17 9.873 2.797 2.950 145 HG22 THR 17 HG22 THR 17 10.607 3.624 1.575 146 HG23 THR 17 HG23 THR 17 11.621 3.019 2.885 147 H THR 18 H THR 18 9.018 -0.617 2.454 148 HA THR 18 HA THR 18 9.786 -2.835 0.673 149 HB THR 18 HB THR 18 8.405 -3.610 3.228 150 HG1 THR 18 HG1 THR 18 11.203 -3.872 2.953 151 HG21 THR 18 HG21 THR 18 9.983 -5.677 2.497 152 HG22 THR 18 HG22 THR 18 9.687 -4.936 0.924 153 HG23 THR 18 HG23 THR 18 8.330 -5.458 1.923 154 H LYS 19 H LYS 19 7.883 -4.180 0.060 155 HA LYS 19 HA LYS 19 5.324 -2.681 0.383 156 HB2 LYS 19 HB2 LYS 19 6.780 -3.350 -2.133 157 HB3 LYS 19 HB3 LYS 19 5.030 -3.522 -2.144 158 HG2 LYS 19 HG2 LYS 19 4.777 -1.199 -1.480 159 HG3 LYS 19 HG3 LYS 19 6.531 -1.017 -1.407 160 HD2 LYS 19 HD2 LYS 19 5.635 -0.119 -3.496 161 HD3 LYS 19 HD3 LYS 19 6.685 -1.507 -3.797 162 HE2 LYS 19 HE2 LYS 19 3.880 -2.224 -3.413 163 HE3 LYS 19 HE3 LYS 19 4.149 -1.162 -4.794 164 HZ1 LYS 19 HZ1 LYS 19 4.591 -3.085 -5.832 165 HZ2 LYS 19 HZ2 LYS 19 4.937 -3.921 -4.403 166 HZ3 LYS 19 HZ3 LYS 19 6.116 -2.937 -5.114 167 H ALA 20 H ALA 20 3.642 -3.924 0.889 168 HA ALA 20 HA ALA 20 3.535 -6.713 -0.019 169 HB1 ALA 20 HB1 ALA 20 3.032 -6.888 2.768 170 HB2 ALA 20 HB2 ALA 20 4.301 -7.676 1.829 171 HB3 ALA 20 HB3 ALA 20 4.594 -6.097 2.557 172 H VAL 21 H VAL 21 1.479 -7.647 0.147 173 HA VAL 21 HA VAL 21 -0.702 -5.914 -0.157 174 HB VAL 21 HB VAL 21 -2.109 -7.969 0.447 175 HG11 VAL 21 HG11 VAL 21 -1.324 -9.196 -1.616 176 HG12 VAL 21 HG12 VAL 21 -1.693 -7.484 -1.834 177 HG13 VAL 21 HG13 VAL 21 -0.016 -8.018 -1.715 178 HG21 VAL 21 HG21 VAL 21 0.425 -9.530 0.267 179 HG22 VAL 21 HG22 VAL 21 -0.066 -8.867 1.826 180 HG23 VAL 21 HG23 VAL 21 -1.129 -9.982 0.969 181 H ASP 22 H ASP 22 0.744 -7.198 2.766 182 HA ASP 22 HA ASP 22 -1.064 -5.456 4.337 183 HB2 ASP 22 HB2 ASP 22 -1.102 -7.508 6.029 184 HB3 ASP 22 HB3 ASP 22 -2.310 -7.343 4.757 185 H ALA 23 H ALA 23 -0.338 -5.350 6.675 186 HA ALA 23 HA ALA 23 2.530 -4.831 6.659 187 HB1 ALA 23 HB1 ALA 23 0.271 -4.380 8.551 188 HB2 ALA 23 HB2 ALA 23 1.916 -4.361 9.188 189 HB3 ALA 23 HB3 ALA 23 1.455 -3.243 7.905 190 H GLU 24 H GLU 24 0.586 -7.538 7.325 191 HA GLU 24 HA GLU 24 2.320 -8.664 9.396 192 HB2 GLU 24 HB2 GLU 24 0.027 -9.305 9.477 193 HB3 GLU 24 HB3 GLU 24 0.012 -9.753 7.777 194 HG2 GLU 24 HG2 GLU 24 1.251 -11.705 8.167 195 HG3 GLU 24 HG3 GLU 24 1.733 -11.176 9.777 196 H THR 25 H THR 25 1.496 -9.613 6.029 197 HA THR 25 HA THR 25 3.447 -11.621 5.763 198 HB THR 25 HB THR 25 1.598 -11.090 4.131 199 HG1 THR 25 HG1 THR 25 3.393 -12.510 3.639 200 HG21 THR 25 HG21 THR 25 3.445 -9.255 2.695 201 HG22 THR 25 HG22 THR 25 2.511 -8.598 4.039 202 HG23 THR 25 HG23 THR 25 1.684 -9.336 2.666 203 H ALA 26 H ALA 26 3.767 -8.135 5.665 204 HA ALA 26 HA ALA 26 6.366 -8.125 4.380 205 HB1 ALA 26 HB1 ALA 26 6.205 -5.874 4.487 206 HB2 ALA 26 HB2 ALA 26 4.514 -6.223 4.846 207 HB3 ALA 26 HB3 ALA 26 5.640 -5.876 6.158 208 H GLU 27 H GLU 27 5.188 -8.452 7.672 209 HA GLU 27 HA GLU 27 7.451 -7.719 9.143 210 HB2 GLU 27 HB2 GLU 27 5.051 -8.890 9.720 211 HB3 GLU 27 HB3 GLU 27 6.155 -10.222 10.030 212 HG2 GLU 27 HG2 GLU 27 6.969 -9.282 11.886 213 HG3 GLU 27 HG3 GLU 27 7.009 -7.671 11.173 214 H LYS 28 H LYS 28 6.876 -10.608 7.208 215 HA LYS 28 HA LYS 28 9.128 -12.093 8.235 216 HB2 LYS 28 HB2 LYS 28 7.254 -12.319 5.925 217 HB3 LYS 28 HB3 LYS 28 8.776 -13.194 5.818 218 HG2 LYS 28 HG2 LYS 28 7.641 -14.820 6.854 219 HG3 LYS 28 HG3 LYS 28 7.974 -13.879 8.310 220 HD2 LYS 28 HD2 LYS 28 5.793 -13.596 8.629 221 HD3 LYS 28 HD3 LYS 28 5.663 -12.791 7.063 222 HE2 LYS 28 HE2 LYS 28 5.510 -15.766 7.544 223 HE3 LYS 28 HE3 LYS 28 4.142 -14.701 7.224 224 HZ1 LYS 28 HZ1 LYS 28 5.062 -14.211 5.054 225 HZ2 LYS 28 HZ2 LYS 28 4.857 -15.880 5.234 226 HZ3 LYS 28 HZ3 LYS 28 6.400 -15.200 5.361 227 H ALA 29 H ALA 29 8.631 -9.891 5.486 228 HA ALA 29 HA ALA 29 11.327 -10.303 4.463 229 HB1 ALA 29 HB1 ALA 29 9.617 -7.930 3.795 230 HB2 ALA 29 HB2 ALA 29 10.751 -8.817 2.775 231 HB3 ALA 29 HB3 ALA 29 9.198 -9.537 3.200 232 H PHE 30 H PHE 30 9.793 -8.218 6.802 233 HA PHE 30 HA PHE 30 12.005 -6.288 6.798 234 HB2 PHE 30 HB2 PHE 30 9.365 -6.555 8.110 235 HB3 PHE 30 HB3 PHE 30 10.601 -5.753 9.073 236 HD1 PHE 30 HD2 PHE 30 12.114 -4.182 7.257 237 HD2 PHE 30 HD1 PHE 30 7.939 -5.006 7.209 238 HE1 PHE 30 HE2 PHE 30 11.719 -2.091 6.023 239 HE2 PHE 30 HE1 PHE 30 7.537 -2.917 5.974 240 HZ PHE 30 HZ PHE 30 9.428 -1.455 5.380 241 H LYS 31 H LYS 31 10.737 -8.854 8.937 242 HA LYS 31 HA LYS 31 12.612 -8.526 11.033 243 HB2 LYS 31 HB2 LYS 31 11.046 -10.892 10.011 244 HB3 LYS 31 HB3 LYS 31 12.161 -11.059 11.361 245 HG2 LYS 31 HG2 LYS 31 9.861 -9.118 11.276 246 HG3 LYS 31 HG3 LYS 31 9.814 -10.705 12.048 247 HD2 LYS 31 HD2 LYS 31 12.047 -9.668 13.170 248 HD3 LYS 31 HD3 LYS 31 11.095 -8.201 12.928 249 HE2 LYS 31 HE2 LYS 31 9.188 -9.369 14.065 250 HE3 LYS 31 HE3 LYS 31 10.306 -10.675 14.458 251 HZ1 LYS 31 HZ1 LYS 31 10.570 -9.455 16.317 252 HZ2 LYS 31 HZ2 LYS 31 10.106 -8.002 15.585 253 HZ3 LYS 31 HZ3 LYS 31 11.674 -8.597 15.364 254 H GLN 32 H GLN 32 12.753 -10.578 8.104 255 HA GLN 32 HA GLN 32 15.147 -11.917 8.613 256 HB2 GLN 32 HB2 GLN 32 13.519 -12.027 6.587 257 HB3 GLN 32 HB3 GLN 32 14.556 -10.794 5.882 258 HG2 GLN 32 HG2 GLN 32 16.487 -12.379 6.321 259 HG3 GLN 32 HG3 GLN 32 15.264 -13.607 6.640 260 HE21 GLN 32 HE21 GLN 32 15.882 -11.086 4.214 261 HE22 GLN 32 HE22 GLN 32 15.561 -12.088 2.844 262 H TYR 33 H TYR 33 14.710 -8.692 7.123 263 HA TYR 33 HA TYR 33 17.423 -8.162 6.580 264 HB2 TYR 33 HB2 TYR 33 15.406 -6.786 5.908 265 HB3 TYR 33 HB3 TYR 33 15.410 -6.109 7.532 266 HD1 TYR 33 HD1 TYR 33 17.585 -4.949 8.305 267 HD2 TYR 33 HD2 TYR 33 16.697 -5.807 4.233 268 HE1 TYR 33 HE1 TYR 33 19.215 -3.249 7.597 269 HE2 TYR 33 HE2 TYR 33 18.326 -4.111 3.514 270 HH TYR 33 HH TYR 33 19.511 -2.261 4.267 271 H ALA 34 H ALA 34 15.633 -8.060 9.602 272 HA ALA 34 HA ALA 34 17.633 -6.556 11.059 273 HB1 ALA 34 HB1 ALA 34 15.932 -6.460 12.482 274 HB2 ALA 34 HB2 ALA 34 15.051 -7.685 11.568 275 HB3 ALA 34 HB3 ALA 34 16.160 -8.170 12.851 276 H ASN 35 H ASN 35 16.749 -10.036 10.967 277 HA ASN 35 HA ASN 35 18.827 -10.898 12.703 278 HB2 ASN 35 HB2 ASN 35 17.064 -12.186 10.666 279 HB3 ASN 35 HB3 ASN 35 18.484 -13.086 11.192 280 HD21 ASN 35 HD21 ASN 35 16.926 -14.603 12.032 281 HD22 ASN 35 HD22 ASN 35 16.215 -14.322 13.582 282 H ASP 36 H ASP 36 18.688 -10.828 9.119 283 HA ASP 36 HA ASP 36 21.253 -11.860 8.625 284 HB2 ASP 36 HB2 ASP 36 19.621 -9.803 7.117 285 HB3 ASP 36 HB3 ASP 36 21.128 -10.472 6.497 286 H ASN 37 H ASN 37 20.252 -8.580 9.511 287 HA ASN 37 HA ASN 37 22.995 -7.565 9.180 288 HB2 ASN 37 HB2 ASN 37 20.323 -6.397 9.835 289 HB3 ASN 37 HB3 ASN 37 21.753 -5.529 10.386 290 HD21 ASN 37 HD21 ASN 37 20.084 -6.792 7.578 291 HD22 ASN 37 HD22 ASN 37 20.832 -5.743 6.427 292 H GLY 38 H GLY 38 21.216 -9.214 11.550 293 HA2 GLY 38 HA2 GLY 38 21.983 -9.890 13.652 294 HA3 GLY 38 HA3 GLY 38 23.386 -8.848 13.469 295 H VAL 39 H VAL 39 20.473 -7.232 12.825 296 HA VAL 39 HA VAL 39 20.659 -5.924 15.498 297 HB VAL 39 HB VAL 39 19.422 -4.979 12.901 298 HG11 VAL 39 HG11 VAL 39 19.275 -3.900 15.680 299 HG12 VAL 39 HG12 VAL 39 19.299 -2.786 14.312 300 HG13 VAL 39 HG13 VAL 39 18.022 -3.995 14.444 301 HG21 VAL 39 HG21 VAL 39 21.342 -3.185 13.929 302 HG22 VAL 39 HG22 VAL 39 22.051 -4.798 14.004 303 HG23 VAL 39 HG23 VAL 39 21.447 -4.171 12.471 304 H ASP 40 H ASP 40 19.290 -6.660 16.968 305 HA ASP 40 HA ASP 40 16.458 -7.044 16.133 306 HB2 ASP 40 HB2 ASP 40 17.577 -9.273 16.205 307 HB3 ASP 40 HB3 ASP 40 17.974 -8.990 17.898 308 H GLY 41 H GLY 41 14.945 -7.093 17.989 309 HA2 GLY 41 HA2 GLY 41 15.504 -6.520 20.622 310 HA3 GLY 41 HA3 GLY 41 15.676 -4.958 19.835 311 H VAL 42 H VAL 42 13.952 -3.743 20.174 312 HA VAL 42 HA VAL 42 11.309 -5.090 20.372 313 HB VAL 42 HB VAL 42 12.152 -2.260 21.047 314 HG11 VAL 42 HG11 VAL 42 9.898 -2.105 20.391 315 HG12 VAL 42 HG12 VAL 42 9.481 -3.632 21.171 316 HG13 VAL 42 HG13 VAL 42 9.862 -2.215 22.150 317 HG21 VAL 42 HG21 VAL 42 11.128 -3.644 23.276 318 HG22 VAL 42 HG22 VAL 42 12.279 -4.726 22.491 319 HG23 VAL 42 HG23 VAL 42 12.787 -3.115 22.997 320 H TRP 43 H TRP 43 9.924 -5.091 18.745 321 HA TRP 43 HA TRP 43 10.388 -3.119 16.549 322 HB2 TRP 43 HB2 TRP 43 9.368 -5.938 16.621 323 HB3 TRP 43 HB3 TRP 43 8.801 -4.864 15.345 324 HD1 TRP 43 HD1 TRP 43 12.057 -6.436 16.677 325 HE1 TRP 43 HE1 TRP 43 13.776 -6.474 14.762 326 HE3 TRP 43 HE3 TRP 43 9.415 -3.827 13.163 327 HZ2 TRP 43 HZ2 TRP 43 13.985 -5.523 12.113 328 HZ3 TRP 43 HZ3 TRP 43 10.447 -3.434 10.964 329 HH2 TRP 43 HH2 TRP 43 12.685 -4.264 10.452 330 H THR 44 H THR 44 8.670 -1.987 15.631 331 HA THR 44 HA THR 44 6.065 -2.185 17.064 332 HB THR 44 HB THR 44 5.994 0.382 16.981 333 HG1 THR 44 HG1 THR 44 7.964 1.425 16.887 334 HG21 THR 44 HG21 THR 44 8.076 -0.236 18.945 335 HG22 THR 44 HG22 THR 44 6.730 -1.376 18.950 336 HG23 THR 44 HG23 THR 44 6.429 0.346 19.185 337 H TYR 45 H TYR 45 4.320 -0.953 15.952 338 HA TYR 45 HA TYR 45 4.827 -0.394 13.100 339 HB2 TYR 45 HB2 TYR 45 4.374 -2.686 12.825 340 HB3 TYR 45 HB3 TYR 45 3.143 -2.695 14.083 341 HD1 TYR 45 HD1 TYR 45 3.652 -0.615 11.016 342 HD2 TYR 45 HD2 TYR 45 1.089 -3.229 13.184 343 HE1 TYR 45 HE1 TYR 45 1.910 -0.317 9.305 344 HE2 TYR 45 HE2 TYR 45 -0.659 -2.940 11.478 345 HH TYR 45 HH TYR 45 -0.047 -1.245 8.488 346 H ASP 46 H ASP 46 3.557 1.185 12.337 347 HA ASP 46 HA ASP 46 1.149 1.888 13.966 348 HB2 ASP 46 HB2 ASP 46 3.151 3.422 14.311 349 HB3 ASP 46 HB3 ASP 46 2.961 3.913 12.630 350 H ASP 47 H ASP 47 -0.274 0.892 12.557 351 HA ASP 47 HA ASP 47 -0.260 0.990 9.769 352 HB2 ASP 47 HB2 ASP 47 -2.480 0.282 9.856 353 HB3 ASP 47 HB3 ASP 47 -1.875 -0.195 11.440 354 H ALA 48 H ALA 48 -1.168 3.487 12.069 355 HA ALA 48 HA ALA 48 -2.705 5.196 10.499 356 HB1 ALA 48 HB1 ALA 48 -2.498 6.064 12.575 357 HB2 ALA 48 HB2 ALA 48 -0.821 5.547 12.752 358 HB3 ALA 48 HB3 ALA 48 -1.203 6.998 11.825 359 H THR 49 H THR 49 0.808 4.700 10.437 360 HA THR 49 HA THR 49 0.860 6.219 7.874 361 HB THR 49 HB THR 49 3.124 7.129 8.565 362 HG1 THR 49 HG1 THR 49 2.301 5.923 10.956 363 HG21 THR 49 HG21 THR 49 2.135 9.072 9.158 364 HG22 THR 49 HG22 THR 49 1.242 8.330 10.486 365 HG23 THR 49 HG23 THR 49 0.643 8.191 8.833 366 H LYS 50 H LYS 50 0.858 3.340 8.656 367 HA LYS 50 HA LYS 50 2.197 1.433 8.410 368 HB2 LYS 50 HB2 LYS 50 3.138 1.543 5.918 369 HB3 LYS 50 HB3 LYS 50 1.421 1.369 6.259 370 HG2 LYS 50 HG2 LYS 50 1.079 3.739 5.921 371 HG3 LYS 50 HG3 LYS 50 2.811 3.977 5.675 372 HD2 LYS 50 HD2 LYS 50 2.257 3.786 3.495 373 HD3 LYS 50 HD3 LYS 50 2.322 2.057 3.842 374 HE2 LYS 50 HE2 LYS 50 0.061 1.819 3.770 375 HE3 LYS 50 HE3 LYS 50 -0.238 3.445 4.382 376 HZ1 LYS 50 HZ1 LYS 50 0.964 3.714 1.890 377 HZ2 LYS 50 HZ2 LYS 50 -0.633 4.077 2.312 378 HZ3 LYS 50 HZ3 LYS 50 -0.245 2.543 1.715 379 H THR 51 H THR 51 3.673 3.106 9.960 380 HA THR 51 HA THR 51 6.402 2.875 8.747 381 HB THR 51 HB THR 51 5.369 4.894 10.758 382 HG1 THR 51 HG1 THR 51 6.497 5.202 8.156 383 HG21 THR 51 HG21 THR 51 8.094 3.957 10.166 384 HG22 THR 51 HG22 THR 51 7.466 4.800 11.583 385 HG23 THR 51 HG23 THR 51 7.885 5.707 10.130 386 H PHE 52 H PHE 52 7.582 1.316 9.604 387 HA PHE 52 HA PHE 52 6.884 0.354 12.325 388 HB2 PHE 52 HB2 PHE 52 8.740 -0.827 10.235 389 HB3 PHE 52 HB3 PHE 52 8.290 -1.585 11.759 390 HD1 PHE 52 HD1 PHE 52 6.850 -0.288 8.591 391 HD2 PHE 52 HD2 PHE 52 6.425 -2.959 11.877 392 HE1 PHE 52 HE1 PHE 52 4.902 -1.319 7.497 393 HE2 PHE 52 HE2 PHE 52 4.477 -3.994 10.789 394 HZ PHE 52 HZ PHE 52 3.713 -3.175 8.595 395 H THR 53 H THR 53 8.769 -0.380 13.705 396 HA THR 53 HA THR 53 11.152 1.359 13.383 397 HB THR 53 HB THR 53 10.146 1.295 16.152 398 HG1 THR 53 HG1 THR 53 8.266 1.678 14.572 399 HG21 THR 53 HG21 THR 53 11.618 3.075 14.324 400 HG22 THR 53 HG22 THR 53 11.857 2.766 16.044 401 HG23 THR 53 HG23 THR 53 10.604 3.888 15.515 402 H VAL 54 H VAL 54 12.978 0.331 13.874 403 HA VAL 54 HA VAL 54 12.746 -2.112 15.590 404 HB VAL 54 HB VAL 54 13.100 -2.830 13.310 405 HG11 VAL 54 HG11 VAL 54 14.264 -1.668 11.816 406 HG12 VAL 54 HG12 VAL 54 14.570 -0.458 13.064 407 HG13 VAL 54 HG13 VAL 54 15.722 -1.769 12.804 408 HG21 VAL 54 HG21 VAL 54 15.746 -3.002 14.739 409 HG22 VAL 54 HG22 VAL 54 14.329 -3.955 15.179 410 HG23 VAL 54 HG23 VAL 54 15.068 -4.155 13.590 411 H THR 55 H THR 55 14.004 -2.152 17.325 412 HA THR 55 HA THR 55 16.282 -0.211 17.400 413 HB THR 55 HB THR 55 15.394 -1.176 20.007 414 HG1 THR 55 HG1 THR 55 13.467 0.386 19.722 415 HG21 THR 55 HG21 THR 55 15.382 1.646 18.964 416 HG22 THR 55 HG22 THR 55 16.877 0.813 19.390 417 HG23 THR 55 HG23 THR 55 15.640 1.085 20.616 418 H GLU 56 H GLU 56 17.677 -0.989 19.541 419 HA GLU 56 HA GLU 56 18.496 -3.772 18.811 420 HB2 GLU 56 HB2 GLU 56 19.987 -1.293 19.230 421 HB3 GLU 56 HB3 GLU 56 20.610 -2.619 20.201 422 HG2 GLU 56 HG2 GLU 56 20.068 -3.026 17.295 423 HG3 GLU 56 HG3 GLU 56 21.540 -2.210 17.819 Start of MODEL 23 1 H1 MET 1 H MET 1 0.204 0.944 0.694 2 HA MET 1 HA MET 1 0.889 -0.965 -1.337 3 HB2 MET 1 HB2 MET 1 0.778 1.970 -1.089 4 HB3 MET 1 HB3 MET 1 2.014 1.366 -2.185 5 HG2 MET 1 HG2 MET 1 -0.078 -0.107 -2.996 6 HG3 MET 1 HG3 MET 1 -0.919 1.333 -2.427 7 HE1 MET 1 HE1 MET 1 1.288 -0.408 -4.618 8 HE2 MET 1 HE2 MET 1 0.832 0.328 -6.154 9 HE3 MET 1 HE3 MET 1 2.337 0.798 -5.363 10 H GLN 2 H GLN 2 2.928 1.669 -0.047 11 HA GLN 2 HA GLN 2 5.188 -0.290 -0.035 12 HB2 GLN 2 HB2 GLN 2 6.581 1.889 -0.215 13 HB3 GLN 2 HB3 GLN 2 5.764 1.289 -1.652 14 HG2 GLN 2 HG2 GLN 2 3.940 2.885 -1.262 15 HG3 GLN 2 HG3 GLN 2 4.808 3.509 0.141 16 HE21 GLN 2 HE21 GLN 2 4.971 3.092 -3.347 17 HE22 GLN 2 HE22 GLN 2 6.030 4.425 -3.643 18 H TYR 3 H TYR 3 6.238 -0.661 1.807 19 HA TYR 3 HA TYR 3 5.391 0.930 4.170 20 HB2 TYR 3 HB2 TYR 3 6.717 -1.769 3.855 21 HB3 TYR 3 HB3 TYR 3 6.580 -0.962 5.413 22 HD1 TYR 3 HD1 TYR 3 4.067 -0.056 5.866 23 HD2 TYR 3 HD2 TYR 3 5.114 -3.350 3.386 24 HE1 TYR 3 HE1 TYR 3 1.806 -0.981 6.151 25 HE2 TYR 3 HE2 TYR 3 2.856 -4.284 3.663 26 HH TYR 3 HH TYR 3 0.687 -3.703 4.295 27 H LYS 4 H LYS 4 6.947 1.603 5.763 28 HA LYS 4 HA LYS 4 9.673 2.022 4.604 29 HB2 LYS 4 HB2 LYS 4 8.661 4.142 4.406 30 HB3 LYS 4 HB3 LYS 4 7.834 3.997 5.951 31 HG2 LYS 4 HG2 LYS 4 9.885 4.293 7.149 32 HG3 LYS 4 HG3 LYS 4 10.819 4.235 5.652 33 HD2 LYS 4 HD2 LYS 4 8.668 6.279 5.908 34 HD3 LYS 4 HD3 LYS 4 10.178 6.531 6.788 35 HE2 LYS 4 HE2 LYS 4 10.721 5.691 4.094 36 HE3 LYS 4 HE3 LYS 4 9.647 7.089 4.089 37 HZ1 LYS 4 HZ1 LYS 4 12.024 7.117 5.814 38 HZ2 LYS 4 HZ2 LYS 4 11.212 8.409 5.086 39 HZ3 LYS 4 HZ3 LYS 4 12.211 7.408 4.158 40 H LEU 5 H LEU 5 11.390 1.770 5.948 41 HA LEU 5 HA LEU 5 10.770 1.240 8.821 42 HB2 LEU 5 HB2 LEU 5 10.997 -0.917 7.829 43 HB3 LEU 5 HB3 LEU 5 12.438 -0.429 6.940 44 HG LEU 5 HG LEU 5 13.665 -0.271 9.076 45 HD11 LEU 5 HD11 LEU 5 12.030 -1.800 10.771 46 HD12 LEU 5 HD12 LEU 5 11.024 -0.489 10.158 47 HD13 LEU 5 HD13 LEU 5 12.541 -0.125 10.980 48 HD21 LEU 5 HD21 LEU 5 12.445 -2.991 9.027 49 HD22 LEU 5 HD22 LEU 5 14.137 -2.516 9.176 50 HD23 LEU 5 HD23 LEU 5 13.327 -2.416 7.612 51 H VAL 6 H VAL 6 12.443 1.668 10.301 52 HA VAL 6 HA VAL 6 14.752 3.175 9.146 53 HB VAL 6 HB VAL 6 13.115 3.986 11.563 54 HG11 VAL 6 HG11 VAL 6 14.986 4.971 12.265 55 HG12 VAL 6 HG12 VAL 6 15.828 4.605 10.757 56 HG13 VAL 6 HG13 VAL 6 14.831 6.055 10.882 57 HG21 VAL 6 HG21 VAL 6 12.580 4.457 8.910 58 HG22 VAL 6 HG22 VAL 6 11.999 5.426 10.264 59 HG23 VAL 6 HG23 VAL 6 13.457 5.907 9.397 60 H ILE 7 H ILE 7 16.472 1.957 9.566 61 HA ILE 7 HA ILE 7 16.566 0.382 12.060 62 HB ILE 7 HB ILE 7 18.556 0.597 9.786 63 HG12 ILE 7 HG12 ILE 7 17.057 -1.901 10.301 64 HG13 ILE 7 HG13 ILE 7 16.106 -0.558 9.680 65 HG21 ILE 7 HG21 ILE 7 18.765 -0.549 12.420 66 HG22 ILE 7 HG22 ILE 7 18.928 -1.792 11.180 67 HG23 ILE 7 HG23 ILE 7 19.994 -0.387 11.166 68 HD11 ILE 7 HD11 ILE 7 17.704 -0.363 7.802 69 HD12 ILE 7 HD12 ILE 7 18.523 -1.806 8.401 70 HD13 ILE 7 HD13 ILE 7 16.850 -1.905 7.852 71 H ASN 8 H ASN 8 17.166 1.362 13.867 72 HA ASN 8 HA ASN 8 19.398 3.346 13.670 73 HB2 ASN 8 HB2 ASN 8 16.872 3.313 15.261 74 HB3 ASN 8 HB3 ASN 8 18.304 3.991 16.029 75 HD21 ASN 8 HD21 ASN 8 19.586 5.336 14.186 76 HD22 ASN 8 HD22 ASN 8 18.604 6.566 13.473 77 H GLY 9 H GLY 9 20.602 1.170 13.728 78 HA2 GLY 9 HA2 GLY 9 20.703 -0.099 16.362 79 HA3 GLY 9 HA3 GLY 9 21.707 -0.478 14.970 80 H LYS 10 H LYS 10 22.291 -0.018 17.894 81 HA LYS 10 HA LYS 10 23.605 2.422 18.320 82 HB2 LYS 10 HB2 LYS 10 23.211 0.644 20.025 83 HB3 LYS 10 HB3 LYS 10 24.506 -0.301 19.302 84 HG2 LYS 10 HG2 LYS 10 26.130 0.976 20.208 85 HG3 LYS 10 HG3 LYS 10 25.188 2.463 20.074 86 HD2 LYS 10 HD2 LYS 10 23.733 1.149 21.920 87 HD3 LYS 10 HD3 LYS 10 25.334 0.495 22.270 88 HE2 LYS 10 HE2 LYS 10 24.957 2.448 23.630 89 HE3 LYS 10 HE3 LYS 10 26.198 2.807 22.430 90 HZ1 LYS 10 HZ1 LYS 10 23.338 3.522 22.100 91 HZ2 LYS 10 HZ2 LYS 10 24.636 4.017 21.135 92 HZ3 LYS 10 HZ3 LYS 10 24.503 4.579 22.725 93 H THR 11 H THR 11 24.538 -0.302 16.349 94 HA THR 11 HA THR 11 27.152 1.059 15.823 95 HB THR 11 HB THR 11 27.983 -1.170 15.077 96 HG1 THR 11 HG1 THR 11 26.733 -3.004 15.614 97 HG21 THR 11 HG21 THR 11 28.182 -0.219 17.462 98 HG22 THR 11 HG22 THR 11 28.514 -1.935 17.224 99 HG23 THR 11 HG23 THR 11 26.964 -1.420 17.890 100 H LEU 12 H LEU 12 24.484 -0.839 14.394 101 HA LEU 12 HA LEU 12 25.321 0.182 11.717 102 HB2 LEU 12 HB2 LEU 12 25.167 -2.147 11.624 103 HB3 LEU 12 HB3 LEU 12 23.722 -2.191 12.631 104 HG LEU 12 HG LEU 12 22.349 -1.458 10.822 105 HD11 LEU 12 HD11 LEU 12 23.244 0.033 9.426 106 HD12 LEU 12 HD12 LEU 12 23.879 -1.357 8.546 107 HD13 LEU 12 HD13 LEU 12 24.886 -0.530 9.734 108 HD21 LEU 12 HD21 LEU 12 23.228 -3.871 10.922 109 HD22 LEU 12 HD22 LEU 12 24.209 -3.421 9.528 110 HD23 LEU 12 HD23 LEU 12 22.450 -3.327 9.436 111 H LYS 13 H LYS 13 24.252 1.827 10.883 112 HA LYS 13 HA LYS 13 21.382 2.148 11.655 113 HB2 LYS 13 HB2 LYS 13 23.607 3.980 12.041 114 HB3 LYS 13 HB3 LYS 13 22.351 4.706 11.047 115 HG2 LYS 13 HG2 LYS 13 20.915 4.877 12.759 116 HG3 LYS 13 HG3 LYS 13 21.372 3.311 13.433 117 HD2 LYS 13 HD2 LYS 13 23.475 4.362 14.266 118 HD3 LYS 13 HD3 LYS 13 22.854 5.922 13.723 119 HE2 LYS 13 HE2 LYS 13 21.144 5.926 15.306 120 HE3 LYS 13 HE3 LYS 13 21.251 4.185 15.565 121 HZ1 LYS 13 HZ1 LYS 13 22.533 4.628 17.299 122 HZ2 LYS 13 HZ2 LYS 13 22.598 6.275 16.922 123 HZ3 LYS 13 HZ3 LYS 13 23.722 5.208 16.244 124 H GLY 14 H GLY 14 19.982 2.393 10.024 125 HA2 GLY 14 HA2 GLY 14 20.744 3.614 7.515 126 HA3 GLY 14 HA3 GLY 14 20.659 1.864 7.376 127 H GLU 15 H GLU 15 18.993 2.580 5.741 128 HA GLU 15 HA GLU 15 16.370 2.307 7.036 129 HB2 GLU 15 HB2 GLU 15 17.330 4.861 5.981 130 HB3 GLU 15 HB3 GLU 15 15.833 4.339 5.221 131 HG2 GLU 15 HG2 GLU 15 14.645 4.414 7.200 132 HG3 GLU 15 HG3 GLU 15 16.096 4.290 8.194 133 H THR 16 H THR 16 14.854 1.347 5.747 134 HA THR 16 HA THR 16 15.438 1.062 2.861 135 HB THR 16 HB THR 16 16.589 -0.853 3.986 136 HG1 THR 16 HG1 THR 16 15.775 -1.083 1.856 137 HG21 THR 16 HG21 THR 16 15.595 -2.089 5.555 138 HG22 THR 16 HG22 THR 16 14.215 -2.406 4.503 139 HG23 THR 16 HG23 THR 16 14.243 -0.959 5.510 140 H THR 17 H THR 17 13.639 -0.426 1.858 141 HA THR 17 HA THR 17 11.055 0.047 3.257 142 HB THR 17 HB THR 17 10.208 0.662 0.821 143 HG1 THR 17 HG1 THR 17 12.722 1.938 0.729 144 HG21 THR 17 HG21 THR 17 11.299 3.110 1.679 145 HG22 THR 17 HG22 THR 17 11.004 2.160 3.136 146 HG23 THR 17 HG23 THR 17 9.687 2.475 2.006 147 H THR 18 H THR 18 9.214 -1.050 2.092 148 HA THR 18 HA THR 18 10.026 -3.320 0.398 149 HB THR 18 HB THR 18 10.331 -4.075 2.797 150 HG1 THR 18 HG1 THR 18 9.978 -5.914 1.827 151 HG21 THR 18 HG21 THR 18 8.360 -4.571 4.115 152 HG22 THR 18 HG22 THR 18 7.314 -3.937 2.844 153 HG23 THR 18 HG23 THR 18 8.388 -2.852 3.726 154 H LYS 19 H LYS 19 7.992 -4.769 0.001 155 HA LYS 19 HA LYS 19 5.534 -3.097 -0.013 156 HB2 LYS 19 HB2 LYS 19 7.030 -4.112 -2.400 157 HB3 LYS 19 HB3 LYS 19 5.273 -4.088 -2.460 158 HG2 LYS 19 HG2 LYS 19 5.276 -1.698 -1.993 159 HG3 LYS 19 HG3 LYS 19 7.039 -1.713 -1.898 160 HD2 LYS 19 HD2 LYS 19 5.397 -2.426 -4.329 161 HD3 LYS 19 HD3 LYS 19 6.259 -0.907 -4.077 162 HE2 LYS 19 HE2 LYS 19 8.371 -2.217 -3.899 163 HE3 LYS 19 HE3 LYS 19 7.459 -3.662 -4.330 164 HZ1 LYS 19 HZ1 LYS 19 6.787 -1.916 -6.281 165 HZ2 LYS 19 HZ2 LYS 19 7.976 -3.112 -6.414 166 HZ3 LYS 19 HZ3 LYS 19 8.411 -1.529 -6.006 167 H ALA 20 H ALA 20 4.342 -4.356 1.305 168 HA ALA 20 HA ALA 20 3.979 -7.192 0.416 169 HB1 ALA 20 HB1 ALA 20 3.776 -6.224 3.270 170 HB2 ALA 20 HB2 ALA 20 3.751 -7.889 2.687 171 HB3 ALA 20 HB3 ALA 20 5.233 -6.938 2.578 172 H VAL 21 H VAL 21 1.913 -8.037 0.430 173 HA VAL 21 HA VAL 21 -0.210 -6.344 -0.205 174 HB VAL 21 HB VAL 21 -0.484 -9.037 1.154 175 HG11 VAL 21 HG11 VAL 21 -2.609 -9.186 0.073 176 HG12 VAL 21 HG12 VAL 21 -2.548 -7.642 0.926 177 HG13 VAL 21 HG13 VAL 21 -2.320 -7.695 -0.823 178 HG21 VAL 21 HG21 VAL 21 -0.583 -9.889 -1.214 179 HG22 VAL 21 HG22 VAL 21 0.030 -8.316 -1.725 180 HG23 VAL 21 HG23 VAL 21 1.004 -9.342 -0.673 181 H ASP 22 H ASP 22 0.914 -7.394 2.965 182 HA ASP 22 HA ASP 22 -0.868 -5.376 4.185 183 HB2 ASP 22 HB2 ASP 22 -1.350 -7.207 6.014 184 HB3 ASP 22 HB3 ASP 22 -2.337 -7.127 4.558 185 H ALA 23 H ALA 23 -0.446 -5.566 6.754 186 HA ALA 23 HA ALA 23 2.350 -4.880 7.028 187 HB1 ALA 23 HB1 ALA 23 1.821 -4.333 9.279 188 HB2 ALA 23 HB2 ALA 23 0.426 -3.867 8.304 189 HB3 ALA 23 HB3 ALA 23 0.376 -5.346 9.263 190 H GLU 24 H GLU 24 0.405 -7.742 7.655 191 HA GLU 24 HA GLU 24 2.324 -9.046 9.367 192 HB2 GLU 24 HB2 GLU 24 0.077 -9.821 9.440 193 HB3 GLU 24 HB3 GLU 24 0.011 -10.041 7.697 194 HG2 GLU 24 HG2 GLU 24 1.602 -11.882 7.863 195 HG3 GLU 24 HG3 GLU 24 1.678 -11.660 9.610 196 H THR 25 H THR 25 1.518 -9.422 5.891 197 HA THR 25 HA THR 25 3.480 -11.368 5.305 198 HB THR 25 HB THR 25 2.368 -9.180 3.524 199 HG1 THR 25 HG1 THR 25 1.188 -11.183 2.770 200 HG21 THR 25 HG21 THR 25 4.207 -9.854 2.308 201 HG22 THR 25 HG22 THR 25 3.001 -11.019 1.760 202 HG23 THR 25 HG23 THR 25 4.186 -11.484 2.980 203 H ALA 26 H ALA 26 3.787 -7.965 5.935 204 HA ALA 26 HA ALA 26 6.463 -7.820 4.705 205 HB1 ALA 26 HB1 ALA 26 6.043 -5.640 4.626 206 HB2 ALA 26 HB2 ALA 26 4.455 -5.958 5.326 207 HB3 ALA 26 HB3 ALA 26 5.818 -5.566 6.374 208 H GLU 27 H GLU 27 4.960 -8.110 7.888 209 HA GLU 27 HA GLU 27 7.207 -7.476 9.487 210 HB2 GLU 27 HB2 GLU 27 4.772 -7.956 10.174 211 HB3 GLU 27 HB3 GLU 27 5.234 -9.652 10.176 212 HG2 GLU 27 HG2 GLU 27 6.642 -9.408 11.984 213 HG3 GLU 27 HG3 GLU 27 6.842 -7.675 11.726 214 H LYS 28 H LYS 28 6.563 -10.213 7.467 215 HA LYS 28 HA LYS 28 8.492 -11.953 8.830 216 HB2 LYS 28 HB2 LYS 28 6.561 -12.173 6.619 217 HB3 LYS 28 HB3 LYS 28 8.047 -13.076 6.358 218 HG2 LYS 28 HG2 LYS 28 6.907 -14.678 7.455 219 HG3 LYS 28 HG3 LYS 28 7.527 -13.826 8.871 220 HD2 LYS 28 HD2 LYS 28 5.219 -12.446 8.259 221 HD3 LYS 28 HD3 LYS 28 4.791 -14.123 7.915 222 HE2 LYS 28 HE2 LYS 28 5.866 -14.617 10.214 223 HE3 LYS 28 HE3 LYS 28 5.681 -12.887 10.496 224 HZ1 LYS 28 HZ1 LYS 28 3.672 -14.969 10.397 225 HZ2 LYS 28 HZ2 LYS 28 3.250 -13.539 9.598 226 HZ3 LYS 28 HZ3 LYS 28 3.670 -13.500 11.237 227 H ALA 29 H ALA 29 8.328 -10.024 5.834 228 HA ALA 29 HA ALA 29 10.989 -10.801 4.978 229 HB1 ALA 29 HB1 ALA 29 10.171 -9.972 3.087 230 HB2 ALA 29 HB2 ALA 29 8.794 -9.274 3.940 231 HB3 ALA 29 HB3 ALA 29 10.286 -8.350 3.771 232 H PHE 30 H PHE 30 9.597 -7.824 6.414 233 HA PHE 30 HA PHE 30 11.925 -6.283 6.516 234 HB2 PHE 30 HB2 PHE 30 9.371 -6.373 7.972 235 HB3 PHE 30 HB3 PHE 30 10.687 -5.660 8.900 236 HD1 PHE 30 HD2 PHE 30 12.235 -4.324 6.789 237 HD2 PHE 30 HD1 PHE 30 8.028 -4.583 7.381 238 HE1 PHE 30 HE2 PHE 30 11.937 -2.203 5.578 239 HE2 PHE 30 HE1 PHE 30 7.723 -2.462 6.170 240 HZ PHE 30 HZ PHE 30 9.680 -1.269 5.268 241 H LYS 31 H LYS 31 10.797 -8.762 8.817 242 HA LYS 31 HA LYS 31 12.787 -8.385 10.788 243 HB2 LYS 31 HB2 LYS 31 11.154 -10.751 9.901 244 HB3 LYS 31 HB3 LYS 31 12.391 -10.947 11.136 245 HG2 LYS 31 HG2 LYS 31 10.157 -8.941 11.318 246 HG3 LYS 31 HG3 LYS 31 10.083 -10.566 12.004 247 HD2 LYS 31 HD2 LYS 31 12.426 -9.745 13.032 248 HD3 LYS 31 HD3 LYS 31 11.603 -8.190 12.893 249 HE2 LYS 31 HE2 LYS 31 10.301 -10.577 14.171 250 HE3 LYS 31 HE3 LYS 31 11.336 -9.480 15.083 251 HZ1 LYS 31 HZ1 LYS 31 9.846 -7.766 14.890 252 HZ2 LYS 31 HZ2 LYS 31 8.790 -9.083 14.991 253 HZ3 LYS 31 HZ3 LYS 31 9.125 -8.381 13.488 254 H GLN 32 H GLN 32 12.866 -10.124 7.711 255 HA GLN 32 HA GLN 32 15.171 -11.666 8.044 256 HB2 GLN 32 HB2 GLN 32 13.676 -11.592 6.027 257 HB3 GLN 32 HB3 GLN 32 14.470 -10.097 5.548 258 HG2 GLN 32 HG2 GLN 32 15.903 -11.354 4.423 259 HG3 GLN 32 HG3 GLN 32 16.565 -11.841 5.982 260 HE21 GLN 32 HE21 GLN 32 16.651 -13.427 3.681 261 HE22 GLN 32 HE22 GLN 32 15.684 -14.834 3.950 262 H TYR 33 H TYR 33 14.982 -8.274 6.886 263 HA TYR 33 HA TYR 33 17.774 -7.888 6.612 264 HB2 TYR 33 HB2 TYR 33 15.683 -6.386 5.990 265 HB3 TYR 33 HB3 TYR 33 16.030 -5.636 7.544 266 HD1 TYR 33 HD2 TYR 33 17.781 -6.654 4.403 267 HD2 TYR 33 HD1 TYR 33 17.508 -3.859 7.600 268 HE1 TYR 33 HE2 TYR 33 19.524 -5.280 3.343 269 HE2 TYR 33 HE1 TYR 33 19.249 -2.477 6.548 270 HH TYR 33 HH TYR 33 20.694 -2.295 4.872 271 H ALA 34 H ALA 34 15.767 -8.083 9.433 272 HA ALA 34 HA ALA 34 17.518 -6.612 11.204 273 HB1 ALA 34 HB1 ALA 34 15.840 -6.889 12.640 274 HB2 ALA 34 HB2 ALA 34 14.975 -7.742 11.361 275 HB3 ALA 34 HB3 ALA 34 15.938 -8.646 12.529 276 H ASN 35 H ASN 35 16.881 -10.127 10.792 277 HA ASN 35 HA ASN 35 19.011 -10.920 12.538 278 HB2 ASN 35 HB2 ASN 35 17.280 -12.274 10.505 279 HB3 ASN 35 HB3 ASN 35 18.726 -13.115 11.058 280 HD21 ASN 35 HD21 ASN 35 17.140 -14.661 11.860 281 HD22 ASN 35 HD22 ASN 35 16.429 -14.396 13.412 282 H ASP 36 H ASP 36 18.776 -10.644 8.981 283 HA ASP 36 HA ASP 36 21.290 -11.659 8.295 284 HB2 ASP 36 HB2 ASP 36 19.236 -10.246 7.005 285 HB3 ASP 36 HB3 ASP 36 20.686 -9.281 6.743 286 H ASN 37 H ASN 37 20.432 -8.444 9.528 287 HA ASN 37 HA ASN 37 23.270 -7.612 9.348 288 HB2 ASN 37 HB2 ASN 37 20.660 -6.222 9.814 289 HB3 ASN 37 HB3 ASN 37 22.123 -5.481 10.457 290 HD21 ASN 37 HD21 ASN 37 23.996 -5.741 8.691 291 HD22 ASN 37 HD22 ASN 37 23.561 -5.096 7.149 292 H GLY 38 H GLY 38 21.210 -9.184 11.504 293 HA2 GLY 38 HA2 GLY 38 21.719 -9.926 13.658 294 HA3 GLY 38 HA3 GLY 38 23.205 -8.989 13.620 295 H VAL 39 H VAL 39 20.550 -7.099 12.742 296 HA VAL 39 HA VAL 39 20.609 -5.821 15.422 297 HB VAL 39 HB VAL 39 19.536 -4.864 12.758 298 HG11 VAL 39 HG11 VAL 39 19.311 -2.663 14.024 299 HG12 VAL 39 HG12 VAL 39 18.093 -3.900 14.343 300 HG13 VAL 39 HG13 VAL 39 19.402 -3.632 15.495 301 HG21 VAL 39 HG21 VAL 39 21.392 -3.480 12.626 302 HG22 VAL 39 HG22 VAL 39 21.723 -3.587 14.355 303 HG23 VAL 39 HG23 VAL 39 22.068 -4.961 13.305 304 H ASP 40 H ASP 40 19.189 -6.643 16.816 305 HA ASP 40 HA ASP 40 16.364 -6.855 15.879 306 HB2 ASP 40 HB2 ASP 40 17.412 -9.124 16.008 307 HB3 ASP 40 HB3 ASP 40 17.718 -8.849 17.721 308 H GLY 41 H GLY 41 14.785 -6.874 17.694 309 HA2 GLY 41 HA2 GLY 41 15.314 -6.270 20.341 310 HA3 GLY 41 HA3 GLY 41 15.472 -4.722 19.524 311 H VAL 42 H VAL 42 13.728 -3.568 20.030 312 HA VAL 42 HA VAL 42 11.097 -4.955 20.041 313 HB VAL 42 HB VAL 42 11.894 -2.193 21.000 314 HG11 VAL 42 HG11 VAL 42 9.579 -2.243 22.027 315 HG12 VAL 42 HG12 VAL 42 9.652 -2.009 20.280 316 HG13 VAL 42 HG13 VAL 42 9.230 -3.589 20.943 317 HG21 VAL 42 HG21 VAL 42 12.319 -4.616 22.204 318 HG22 VAL 42 HG22 VAL 42 12.197 -3.068 23.040 319 HG23 VAL 42 HG23 VAL 42 10.781 -4.110 22.904 320 H TRP 43 H TRP 43 9.903 -4.924 18.273 321 HA TRP 43 HA TRP 43 10.344 -2.711 16.327 322 HB2 TRP 43 HB2 TRP 43 9.227 -5.504 16.076 323 HB3 TRP 43 HB3 TRP 43 8.954 -4.292 14.827 324 HD1 TRP 43 HD1 TRP 43 12.059 -5.692 16.714 325 HE1 TRP 43 HE1 TRP 43 13.960 -5.960 14.999 326 HE3 TRP 43 HE3 TRP 43 9.660 -3.926 12.559 327 HZ2 TRP 43 HZ2 TRP 43 14.387 -5.485 12.250 328 HZ3 TRP 43 HZ3 TRP 43 10.886 -3.866 10.426 329 HH2 TRP 43 HH2 TRP 43 13.200 -4.629 10.277 330 H THR 44 H THR 44 8.606 -1.581 15.396 331 HA THR 44 HA THR 44 6.014 -1.869 16.854 332 HB THR 44 HB THR 44 5.821 0.651 16.759 333 HG1 THR 44 HG1 THR 44 7.634 0.851 15.228 334 HG21 THR 44 HG21 THR 44 7.971 -0.619 18.451 335 HG22 THR 44 HG22 THR 44 6.275 -0.374 18.869 336 HG23 THR 44 HG23 THR 44 7.355 1.011 18.718 337 H TYR 45 H TYR 45 4.152 -1.100 15.731 338 HA TYR 45 HA TYR 45 4.583 -0.578 12.830 339 HB2 TYR 45 HB2 TYR 45 4.096 -2.854 12.697 340 HB3 TYR 45 HB3 TYR 45 2.996 -2.811 14.070 341 HD1 TYR 45 HD1 TYR 45 3.111 -0.801 10.923 342 HD2 TYR 45 HD2 TYR 45 0.919 -3.526 13.347 343 HE1 TYR 45 HE1 TYR 45 1.202 -0.628 9.381 344 HE2 TYR 45 HE2 TYR 45 -0.996 -3.361 11.812 345 HH TYR 45 HH TYR 45 -1.769 -2.501 9.918 346 H ASP 46 H ASP 46 3.454 1.100 12.132 347 HA ASP 46 HA ASP 46 0.994 1.839 13.666 348 HB2 ASP 46 HB2 ASP 46 2.964 3.347 14.115 349 HB3 ASP 46 HB3 ASP 46 2.939 3.797 12.412 350 H ASP 47 H ASP 47 -0.419 0.895 12.223 351 HA ASP 47 HA ASP 47 -0.306 0.976 9.432 352 HB2 ASP 47 HB2 ASP 47 -2.552 0.332 9.447 353 HB3 ASP 47 HB3 ASP 47 -1.998 -0.176 11.040 354 H ALA 48 H ALA 48 -1.185 3.507 11.694 355 HA ALA 48 HA ALA 48 -2.644 5.246 10.067 356 HB1 ALA 48 HB1 ALA 48 -1.416 5.377 12.552 357 HB2 ALA 48 HB2 ALA 48 -0.659 6.678 11.632 358 HB3 ALA 48 HB3 ALA 48 -2.414 6.624 11.804 359 H THR 49 H THR 49 0.874 4.734 10.192 360 HA THR 49 HA THR 49 1.059 6.317 7.662 361 HB THR 49 HB THR 49 3.514 6.739 8.596 362 HG1 THR 49 HG1 THR 49 3.115 7.262 10.950 363 HG21 THR 49 HG21 THR 49 1.187 8.248 8.329 364 HG22 THR 49 HG22 THR 49 2.824 8.862 8.559 365 HG23 THR 49 HG23 THR 49 1.772 8.610 9.952 366 H LYS 50 H LYS 50 0.828 3.386 8.331 367 HA LYS 50 HA LYS 50 2.031 1.401 7.980 368 HB2 LYS 50 HB2 LYS 50 2.837 1.463 5.476 369 HB3 LYS 50 HB3 LYS 50 1.123 1.542 5.863 370 HG2 LYS 50 HG2 LYS 50 1.183 3.975 5.618 371 HG3 LYS 50 HG3 LYS 50 2.899 3.887 5.216 372 HD2 LYS 50 HD2 LYS 50 2.500 3.152 3.118 373 HD3 LYS 50 HD3 LYS 50 1.134 2.153 3.618 374 HE2 LYS 50 HE2 LYS 50 -0.011 4.491 3.993 375 HE3 LYS 50 HE3 LYS 50 1.208 5.029 2.840 376 HZ1 LYS 50 HZ1 LYS 50 -1.143 4.100 2.097 377 HZ2 LYS 50 HZ2 LYS 50 -0.299 2.635 2.140 378 HZ3 LYS 50 HZ3 LYS 50 0.247 3.897 1.155 379 H THR 51 H THR 51 3.676 2.900 9.527 380 HA THR 51 HA THR 51 6.332 2.369 8.259 381 HB THR 51 HB THR 51 5.571 4.736 9.991 382 HG1 THR 51 HG1 THR 51 6.043 5.905 8.168 383 HG21 THR 51 HG21 THR 51 8.185 3.469 9.442 384 HG22 THR 51 HG22 THR 51 7.668 4.457 10.809 385 HG23 THR 51 HG23 THR 51 8.122 5.224 9.288 386 H PHE 52 H PHE 52 7.846 1.371 9.499 387 HA PHE 52 HA PHE 52 6.943 0.619 12.251 388 HB2 PHE 52 HB2 PHE 52 8.873 -0.938 10.515 389 HB3 PHE 52 HB3 PHE 52 8.075 -1.472 11.991 390 HD1 PHE 52 HD2 PHE 52 7.532 -0.624 8.440 391 HD2 PHE 52 HD1 PHE 52 5.925 -2.436 11.940 392 HE1 PHE 52 HE2 PHE 52 5.708 -1.587 7.099 393 HE2 PHE 52 HE1 PHE 52 4.099 -3.404 10.605 394 HZ PHE 52 HZ PHE 52 3.988 -2.979 8.181 395 H THR 53 H THR 53 8.868 -0.081 13.670 396 HA THR 53 HA THR 53 11.261 1.597 13.150 397 HB THR 53 HB THR 53 9.893 1.730 15.840 398 HG1 THR 53 HG1 THR 53 8.449 2.942 14.875 399 HG21 THR 53 HG21 THR 53 11.250 4.002 15.642 400 HG22 THR 53 HG22 THR 53 12.202 3.048 14.505 401 HG23 THR 53 HG23 THR 53 12.019 2.507 16.173 402 H VAL 54 H VAL 54 13.004 0.402 13.448 403 HA VAL 54 HA VAL 54 12.803 -1.878 15.375 404 HB VAL 54 HB VAL 54 13.233 -2.706 13.174 405 HG11 VAL 54 HG11 VAL 54 14.707 -0.272 12.876 406 HG12 VAL 54 HG12 VAL 54 15.731 -1.641 12.436 407 HG13 VAL 54 HG13 VAL 54 14.175 -1.409 11.638 408 HG21 VAL 54 HG21 VAL 54 15.891 -2.628 14.593 409 HG22 VAL 54 HG22 VAL 54 14.546 -3.670 15.060 410 HG23 VAL 54 HG23 VAL 54 15.308 -3.868 13.482 411 H THR 55 H THR 55 14.075 -1.929 17.109 412 HA THR 55 HA THR 55 16.267 0.107 17.233 413 HB THR 55 HB THR 55 15.476 -0.920 19.826 414 HG1 THR 55 HG1 THR 55 13.373 0.096 19.797 415 HG21 THR 55 HG21 THR 55 14.867 1.722 19.834 416 HG22 THR 55 HG22 THR 55 15.988 1.646 18.474 417 HG23 THR 55 HG23 THR 55 16.493 1.082 20.066 418 H GLU 56 H GLU 56 17.639 -0.684 19.420 419 HA GLU 56 HA GLU 56 18.636 -3.379 18.589 420 HB2 GLU 56 HB2 GLU 56 19.970 -0.857 19.052 421 HB3 GLU 56 HB3 GLU 56 20.594 -2.079 20.151 422 HG2 GLU 56 HG2 GLU 56 20.317 -3.070 17.439 423 HG3 GLU 56 HG3 GLU 56 21.377 -1.666 17.544 Start of MODEL 24 1 H1 MET 1 H MET 1 -0.363 0.323 0.502 2 HA MET 1 HA MET 1 0.989 -0.832 -1.298 3 HB2 MET 1 HB2 MET 1 -0.309 1.337 -1.641 4 HB3 MET 1 HB3 MET 1 1.226 2.170 -1.430 5 HG2 MET 1 HG2 MET 1 1.715 0.170 -3.317 6 HG3 MET 1 HG3 MET 1 0.154 0.865 -3.751 7 HE1 MET 1 HE1 MET 1 2.238 0.786 -5.627 8 HE2 MET 1 HE2 MET 1 1.328 2.164 -6.246 9 HE3 MET 1 HE3 MET 1 3.075 2.285 -6.031 10 H GLN 2 H GLN 2 2.575 1.444 0.873 11 HA GLN 2 HA GLN 2 5.160 0.192 0.173 12 HB2 GLN 2 HB2 GLN 2 4.424 2.693 -0.891 13 HB3 GLN 2 HB3 GLN 2 5.538 3.050 0.422 14 HG2 GLN 2 HG2 GLN 2 7.294 1.966 -0.588 15 HG3 GLN 2 HG3 GLN 2 6.240 0.938 -1.558 16 HE21 GLN 2 HE21 GLN 2 5.538 1.639 -3.522 17 HE22 GLN 2 HE22 GLN 2 6.076 3.103 -4.265 18 H TYR 3 H TYR 3 6.317 -0.218 1.934 19 HA TYR 3 HA TYR 3 5.484 1.167 4.444 20 HB2 TYR 3 HB2 TYR 3 6.819 -1.511 3.968 21 HB3 TYR 3 HB3 TYR 3 6.615 -0.795 5.563 22 HD1 TYR 3 HD2 TYR 3 4.900 -2.359 2.724 23 HD2 TYR 3 HD1 TYR 3 4.434 -0.694 6.612 24 HE1 TYR 3 HE2 TYR 3 2.652 -3.345 2.871 25 HE2 TYR 3 HE1 TYR 3 2.185 -1.677 6.770 26 HH TYR 3 HH TYR 3 0.778 -3.213 5.838 27 H LYS 4 H LYS 4 6.982 2.053 5.842 28 HA LYS 4 HA LYS 4 9.712 2.388 4.660 29 HB2 LYS 4 HB2 LYS 4 8.584 4.499 4.624 30 HB3 LYS 4 HB3 LYS 4 8.002 4.296 6.272 31 HG2 LYS 4 HG2 LYS 4 9.799 5.890 6.241 32 HG3 LYS 4 HG3 LYS 4 10.327 4.429 7.079 33 HD2 LYS 4 HD2 LYS 4 12.129 4.991 5.692 34 HD3 LYS 4 HD3 LYS 4 11.291 3.704 4.821 35 HE2 LYS 4 HE2 LYS 4 11.343 5.105 3.076 36 HE3 LYS 4 HE3 LYS 4 10.028 5.946 3.896 37 HZ1 LYS 4 HZ1 LYS 4 12.743 6.779 3.462 38 HZ2 LYS 4 HZ2 LYS 4 12.240 6.978 5.064 39 HZ3 LYS 4 HZ3 LYS 4 11.371 7.706 3.809 40 H LEU 5 H LEU 5 11.456 1.917 5.865 41 HA LEU 5 HA LEU 5 10.945 1.215 8.729 42 HB2 LEU 5 HB2 LEU 5 11.297 -0.807 7.482 43 HB3 LEU 5 HB3 LEU 5 12.730 -0.139 6.703 44 HG LEU 5 HG LEU 5 13.930 -0.196 8.819 45 HD11 LEU 5 HD11 LEU 5 12.810 -0.150 10.731 46 HD12 LEU 5 HD12 LEU 5 12.300 -1.812 10.434 47 HD13 LEU 5 HD13 LEU 5 11.290 -0.470 9.896 48 HD21 LEU 5 HD21 LEU 5 12.720 -2.907 8.663 49 HD22 LEU 5 HD22 LEU 5 14.415 -2.427 8.746 50 HD23 LEU 5 HD23 LEU 5 13.526 -2.265 7.231 51 H VAL 6 H VAL 6 12.543 1.695 10.237 52 HA VAL 6 HA VAL 6 14.799 3.365 9.210 53 HB VAL 6 HB VAL 6 13.051 4.019 11.598 54 HG11 VAL 6 HG11 VAL 6 15.759 4.694 11.027 55 HG12 VAL 6 HG12 VAL 6 14.772 6.152 10.904 56 HG13 VAL 6 HG13 VAL 6 14.757 5.197 12.388 57 HG21 VAL 6 HG21 VAL 6 13.416 5.455 8.970 58 HG22 VAL 6 HG22 VAL 6 11.988 4.545 9.462 59 HG23 VAL 6 HG23 VAL 6 12.437 6.016 10.326 60 H ILE 7 H ILE 7 16.496 2.075 9.597 61 HA ILE 7 HA ILE 7 16.604 0.540 12.116 62 HB ILE 7 HB ILE 7 18.582 0.697 9.827 63 HG12 ILE 7 HG12 ILE 7 16.712 -1.571 10.504 64 HG13 ILE 7 HG13 ILE 7 16.272 -0.293 9.376 65 HG21 ILE 7 HG21 ILE 7 19.643 0.074 11.933 66 HG22 ILE 7 HG22 ILE 7 18.448 -1.200 12.166 67 HG23 ILE 7 HG23 ILE 7 19.587 -1.295 10.824 68 HD11 ILE 7 HD11 ILE 7 18.071 -0.902 7.910 69 HD12 ILE 7 HD12 ILE 7 18.669 -2.085 9.075 70 HD13 ILE 7 HD13 ILE 7 17.114 -2.335 8.282 71 H ASN 8 H ASN 8 17.190 1.602 13.888 72 HA ASN 8 HA ASN 8 19.480 3.512 13.633 73 HB2 ASN 8 HB2 ASN 8 16.984 3.586 15.308 74 HB3 ASN 8 HB3 ASN 8 18.441 4.397 15.875 75 HD21 ASN 8 HD21 ASN 8 19.528 5.539 13.784 76 HD22 ASN 8 HD22 ASN 8 18.449 6.643 13.008 77 H GLY 9 H GLY 9 20.625 1.314 13.807 78 HA2 GLY 9 HA2 GLY 9 20.668 0.226 16.539 79 HA3 GLY 9 HA3 GLY 9 21.589 -0.354 15.160 80 H LYS 10 H LYS 10 22.259 0.385 18.040 81 HA LYS 10 HA LYS 10 23.784 2.718 18.193 82 HB2 LYS 10 HB2 LYS 10 23.541 0.262 19.660 83 HB3 LYS 10 HB3 LYS 10 25.245 0.678 19.535 84 HG2 LYS 10 HG2 LYS 10 24.760 2.899 20.451 85 HG3 LYS 10 HG3 LYS 10 23.059 2.452 20.605 86 HD2 LYS 10 HD2 LYS 10 24.224 0.392 21.906 87 HD3 LYS 10 HD3 LYS 10 25.383 1.679 22.248 88 HE2 LYS 10 HE2 LYS 10 23.939 1.977 23.994 89 HE3 LYS 10 HE3 LYS 10 23.189 3.035 22.800 90 HZ1 LYS 10 HZ1 LYS 10 22.224 0.386 22.525 91 HZ2 LYS 10 HZ2 LYS 10 21.362 1.807 22.838 92 HZ3 LYS 10 HZ3 LYS 10 22.015 0.915 24.118 93 H THR 11 H THR 11 24.489 -0.280 16.518 94 HA THR 11 HA THR 11 27.168 0.839 15.786 95 HB THR 11 HB THR 11 27.854 -1.463 15.267 96 HG1 THR 11 HG1 THR 11 26.163 -2.701 14.831 97 HG21 THR 11 HG21 THR 11 28.329 -2.053 17.435 98 HG22 THR 11 HG22 THR 11 26.701 -1.688 18.006 99 HG23 THR 11 HG23 THR 11 27.833 -0.378 17.673 100 H LEU 12 H LEU 12 24.342 -0.986 14.570 101 HA LEU 12 HA LEU 12 25.172 -0.247 11.803 102 HB2 LEU 12 HB2 LEU 12 24.817 -2.558 11.934 103 HB3 LEU 12 HB3 LEU 12 23.383 -2.377 12.942 104 HG LEU 12 HG LEU 12 22.073 -1.669 11.071 105 HD11 LEU 12 HD11 LEU 12 23.106 -0.432 9.531 106 HD12 LEU 12 HD12 LEU 12 23.586 -1.962 8.799 107 HD13 LEU 12 HD13 LEU 12 24.683 -1.129 9.900 108 HD21 LEU 12 HD21 LEU 12 23.778 -4.089 10.561 109 HD22 LEU 12 HD22 LEU 12 22.435 -3.645 9.506 110 HD23 LEU 12 HD23 LEU 12 22.138 -4.013 11.206 111 H LYS 13 H LYS 13 24.247 1.443 10.891 112 HA LYS 13 HA LYS 13 21.416 2.044 11.641 113 HB2 LYS 13 HB2 LYS 13 23.743 3.670 12.068 114 HB3 LYS 13 HB3 LYS 13 22.714 4.458 10.878 115 HG2 LYS 13 HG2 LYS 13 20.923 4.629 12.363 116 HG3 LYS 13 HG3 LYS 13 21.599 3.421 13.459 117 HD2 LYS 13 HD2 LYS 13 23.122 5.935 12.938 118 HD3 LYS 13 HD3 LYS 13 21.738 5.978 14.033 119 HE2 LYS 13 HE2 LYS 13 22.728 4.328 15.454 120 HE3 LYS 13 HE3 LYS 13 24.024 4.032 14.296 121 HZ1 LYS 13 HZ1 LYS 13 23.619 6.692 15.521 122 HZ2 LYS 13 HZ2 LYS 13 25.002 6.082 14.762 123 HZ3 LYS 13 HZ3 LYS 13 24.545 5.498 16.283 124 H GLY 14 H GLY 14 20.043 2.536 10.007 125 HA2 GLY 14 HA2 GLY 14 20.888 3.506 7.453 126 HA3 GLY 14 HA3 GLY 14 20.702 1.760 7.374 127 H GLU 15 H GLU 15 19.082 2.457 5.713 128 HA GLU 15 HA GLU 15 16.445 2.385 6.989 129 HB2 GLU 15 HB2 GLU 15 17.545 4.870 5.963 130 HB3 GLU 15 HB3 GLU 15 16.089 4.415 5.089 131 HG2 GLU 15 HG2 GLU 15 14.750 4.592 6.945 132 HG3 GLU 15 HG3 GLU 15 16.084 4.328 8.065 133 H THR 16 H THR 16 14.816 1.627 5.642 134 HA THR 16 HA THR 16 15.333 1.272 2.786 135 HB THR 16 HB THR 16 16.611 -0.623 3.666 136 HG1 THR 16 HG1 THR 16 15.811 -1.864 2.134 137 HG21 THR 16 HG21 THR 16 14.995 -2.473 4.703 138 HG22 THR 16 HG22 THR 16 14.148 -1.034 5.271 139 HG23 THR 16 HG23 THR 16 15.838 -1.292 5.704 140 H THR 17 H THR 17 13.527 -0.045 1.751 141 HA THR 17 HA THR 17 11.009 0.209 3.329 142 HB THR 17 HB THR 17 9.966 0.974 1.064 143 HG1 THR 17 HG1 THR 17 12.290 0.734 0.155 144 HG21 THR 17 HG21 THR 17 11.152 2.406 3.270 145 HG22 THR 17 HG22 THR 17 9.667 2.748 2.383 146 HG23 THR 17 HG23 THR 17 11.208 3.371 1.795 147 H THR 18 H THR 18 9.162 -0.936 2.312 148 HA THR 18 HA THR 18 9.830 -2.985 0.325 149 HB THR 18 HB THR 18 10.595 -3.864 2.631 150 HG1 THR 18 HG1 THR 18 10.425 -5.664 1.548 151 HG21 THR 18 HG21 THR 18 7.728 -4.605 3.024 152 HG22 THR 18 HG22 THR 18 8.305 -3.046 3.615 153 HG23 THR 18 HG23 THR 18 9.042 -4.539 4.198 154 H LYS 19 H LYS 19 8.029 -3.972 -0.591 155 HA LYS 19 HA LYS 19 5.455 -2.664 0.173 156 HB2 LYS 19 HB2 LYS 19 4.797 -2.782 -2.051 157 HB3 LYS 19 HB3 LYS 19 6.525 -2.491 -2.202 158 HG2 LYS 19 HG2 LYS 19 5.266 -5.220 -2.335 159 HG3 LYS 19 HG3 LYS 19 5.622 -4.221 -3.747 160 HD2 LYS 19 HD2 LYS 19 8.012 -4.159 -2.496 161 HD3 LYS 19 HD3 LYS 19 7.436 -5.750 -1.992 162 HE2 LYS 19 HE2 LYS 19 7.662 -6.615 -4.052 163 HE3 LYS 19 HE3 LYS 19 7.033 -5.166 -4.834 164 HZ1 LYS 19 HZ1 LYS 19 9.637 -5.987 -4.807 165 HZ2 LYS 19 HZ2 LYS 19 9.606 -4.730 -3.676 166 HZ3 LYS 19 HZ3 LYS 19 9.080 -4.456 -5.260 167 H ALA 20 H ALA 20 3.692 -3.820 0.731 168 HA ALA 20 HA ALA 20 3.643 -6.724 0.258 169 HB1 ALA 20 HB1 ALA 20 4.360 -7.348 2.265 170 HB2 ALA 20 HB2 ALA 20 4.561 -5.664 2.752 171 HB3 ALA 20 HB3 ALA 20 3.016 -6.477 3.005 172 H VAL 21 H VAL 21 1.595 -7.639 0.422 173 HA VAL 21 HA VAL 21 -0.587 -6.007 -0.219 174 HB VAL 21 HB VAL 21 -2.004 -7.974 0.593 175 HG11 VAL 21 HG11 VAL 21 -0.493 -9.480 -1.152 176 HG12 VAL 21 HG12 VAL 21 -1.756 -8.330 -1.597 177 HG13 VAL 21 HG13 VAL 21 -0.067 -7.821 -1.571 178 HG21 VAL 21 HG21 VAL 21 -0.387 -8.747 2.303 179 HG22 VAL 21 HG22 VAL 21 -0.867 -10.019 1.180 180 HG23 VAL 21 HG23 VAL 21 0.704 -9.237 1.007 181 H ASP 22 H ASP 22 0.587 -7.043 2.958 182 HA ASP 22 HA ASP 22 -1.064 -4.939 4.190 183 HB2 ASP 22 HB2 ASP 22 -2.354 -6.275 5.572 184 HB3 ASP 22 HB3 ASP 22 -2.320 -7.252 4.107 185 H ALA 23 H ALA 23 -0.724 -5.423 6.818 186 HA ALA 23 HA ALA 23 2.077 -4.805 7.167 187 HB1 ALA 23 HB1 ALA 23 0.424 -5.562 9.515 188 HB2 ALA 23 HB2 ALA 23 1.498 -4.183 9.275 189 HB3 ALA 23 HB3 ALA 23 -0.114 -4.180 8.559 190 H GLU 24 H GLU 24 0.019 -7.589 8.094 191 HA GLU 24 HA GLU 24 1.946 -9.104 9.441 192 HB2 GLU 24 HB2 GLU 24 -0.328 -9.834 9.410 193 HB3 GLU 24 HB3 GLU 24 -0.341 -9.957 7.656 194 HG2 GLU 24 HG2 GLU 24 1.700 -11.618 8.895 195 HG3 GLU 24 HG3 GLU 24 0.066 -12.017 9.420 196 H THR 25 H THR 25 1.593 -8.495 6.009 197 HA THR 25 HA THR 25 3.414 -10.644 5.229 198 HB THR 25 HB THR 25 2.410 -8.265 3.635 199 HG1 THR 25 HG1 THR 25 1.513 -10.968 3.577 200 HG21 THR 25 HG21 THR 25 3.652 -10.848 2.682 201 HG22 THR 25 HG22 THR 25 4.481 -9.293 2.744 202 HG23 THR 25 HG23 THR 25 3.096 -9.511 1.676 203 H ALA 26 H ALA 26 3.569 -7.057 5.281 204 HA ALA 26 HA ALA 26 6.281 -6.866 4.466 205 HB1 ALA 26 HB1 ALA 26 5.922 -4.670 4.668 206 HB2 ALA 26 HB2 ALA 26 4.267 -5.096 5.105 207 HB3 ALA 26 HB3 ALA 26 5.465 -4.806 6.366 208 H GLU 27 H GLU 27 4.839 -6.964 7.743 209 HA GLU 27 HA GLU 27 7.185 -6.626 9.235 210 HB2 GLU 27 HB2 GLU 27 4.896 -6.735 10.176 211 HB3 GLU 27 HB3 GLU 27 4.865 -8.468 9.880 212 HG2 GLU 27 HG2 GLU 27 6.887 -8.639 11.374 213 HG3 GLU 27 HG3 GLU 27 6.595 -6.956 11.812 214 H LYS 28 H LYS 28 6.074 -9.400 7.410 215 HA LYS 28 HA LYS 28 7.939 -11.258 8.667 216 HB2 LYS 28 HB2 LYS 28 5.795 -11.358 6.710 217 HB3 LYS 28 HB3 LYS 28 7.188 -12.283 6.165 218 HG2 LYS 28 HG2 LYS 28 5.613 -13.673 7.398 219 HG3 LYS 28 HG3 LYS 28 7.168 -13.568 8.228 220 HD2 LYS 28 HD2 LYS 28 6.315 -12.345 9.959 221 HD3 LYS 28 HD3 LYS 28 5.068 -11.596 8.959 222 HE2 LYS 28 HE2 LYS 28 3.639 -13.397 9.163 223 HE3 LYS 28 HE3 LYS 28 4.945 -14.527 9.515 224 HZ1 LYS 28 HZ1 LYS 28 3.871 -12.449 11.344 225 HZ2 LYS 28 HZ2 LYS 28 5.203 -13.434 11.686 226 HZ3 LYS 28 HZ3 LYS 28 3.670 -14.122 11.492 227 H ALA 29 H ALA 29 7.837 -9.271 5.726 228 HA ALA 29 HA ALA 29 10.283 -10.382 4.636 229 HB1 ALA 29 HB1 ALA 29 9.248 -9.418 2.898 230 HB2 ALA 29 HB2 ALA 29 8.349 -8.298 3.922 231 HB3 ALA 29 HB3 ALA 29 10.008 -7.927 3.453 232 H PHE 30 H PHE 30 9.455 -7.351 6.358 233 HA PHE 30 HA PHE 30 12.025 -6.197 6.319 234 HB2 PHE 30 HB2 PHE 30 9.604 -5.946 8.032 235 HB3 PHE 30 HB3 PHE 30 11.108 -5.312 8.694 236 HD1 PHE 30 HD2 PHE 30 12.461 -4.201 6.400 237 HD2 PHE 30 HD1 PHE 30 8.319 -4.155 7.378 238 HE1 PHE 30 HE2 PHE 30 12.175 -2.146 5.078 239 HE2 PHE 30 HE1 PHE 30 8.026 -2.100 6.057 240 HZ PHE 30 HZ PHE 30 9.956 -1.092 4.906 241 H LYS 31 H LYS 31 10.577 -8.490 8.635 242 HA LYS 31 HA LYS 31 12.628 -8.521 10.551 243 HB2 LYS 31 HB2 LYS 31 10.319 -9.807 10.352 244 HB3 LYS 31 HB3 LYS 31 11.341 -11.103 9.742 245 HG2 LYS 31 HG2 LYS 31 11.833 -11.677 11.817 246 HG3 LYS 31 HG3 LYS 31 12.570 -10.095 12.078 247 HD2 LYS 31 HD2 LYS 31 9.601 -10.438 12.271 248 HD3 LYS 31 HD3 LYS 31 10.642 -10.868 13.631 249 HE2 LYS 31 HE2 LYS 31 11.653 -8.480 13.176 250 HE3 LYS 31 HE3 LYS 31 10.081 -8.200 12.428 251 HZ1 LYS 31 HZ1 LYS 31 10.487 -9.166 15.207 252 HZ2 LYS 31 HZ2 LYS 31 9.005 -8.788 14.483 253 HZ3 LYS 31 HZ3 LYS 31 10.137 -7.566 14.781 254 H GLN 32 H GLN 32 12.518 -9.940 7.340 255 HA GLN 32 HA GLN 32 14.764 -11.712 7.720 256 HB2 GLN 32 HB2 GLN 32 13.033 -11.894 5.905 257 HB3 GLN 32 HB3 GLN 32 13.769 -10.497 5.130 258 HG2 GLN 32 HG2 GLN 32 14.830 -12.136 3.989 259 HG3 GLN 32 HG3 GLN 32 15.945 -11.985 5.345 260 HE21 GLN 32 HE21 GLN 32 16.410 -14.214 4.445 261 HE22 GLN 32 HE22 GLN 32 15.541 -15.526 5.157 262 H TYR 33 H TYR 33 14.456 -8.585 5.975 263 HA TYR 33 HA TYR 33 17.145 -8.236 5.328 264 HB2 TYR 33 HB2 TYR 33 15.374 -6.743 4.547 265 HB3 TYR 33 HB3 TYR 33 15.141 -6.122 6.177 266 HD1 TYR 33 HD2 TYR 33 18.024 -6.620 3.839 267 HD2 TYR 33 HD1 TYR 33 16.003 -4.021 6.535 268 HE1 TYR 33 HE2 TYR 33 19.703 -4.875 3.408 269 HE2 TYR 33 HE1 TYR 33 17.676 -2.269 6.110 270 HH TYR 33 HH TYR 33 20.295 -2.760 3.767 271 H ALA 34 H ALA 34 15.520 -7.737 8.420 272 HA ALA 34 HA ALA 34 17.777 -6.379 9.646 273 HB1 ALA 34 HB1 ALA 34 15.368 -7.740 10.868 274 HB2 ALA 34 HB2 ALA 34 16.527 -6.739 11.745 275 HB3 ALA 34 HB3 ALA 34 15.528 -6.027 10.478 276 H ASN 35 H ASN 35 16.332 -9.636 10.147 277 HA ASN 35 HA ASN 35 18.246 -10.680 11.863 278 HB2 ASN 35 HB2 ASN 35 16.424 -11.833 9.813 279 HB3 ASN 35 HB3 ASN 35 17.723 -12.877 10.381 280 HD21 ASN 35 HD21 ASN 35 16.065 -14.214 11.265 281 HD22 ASN 35 HD22 ASN 35 15.337 -13.811 12.779 282 H ASP 36 H ASP 36 18.301 -10.923 8.279 283 HA ASP 36 HA ASP 36 20.802 -12.197 8.064 284 HB2 ASP 36 HB2 ASP 36 19.476 -10.197 6.209 285 HB3 ASP 36 HB3 ASP 36 20.883 -11.165 5.778 286 H ASN 37 H ASN 37 20.005 -8.819 8.651 287 HA ASN 37 HA ASN 37 22.895 -8.124 8.464 288 HB2 ASN 37 HB2 ASN 37 20.673 -6.789 7.544 289 HB3 ASN 37 HB3 ASN 37 20.981 -5.969 9.071 290 HD21 ASN 37 HD21 ASN 37 23.658 -5.960 9.266 291 HD22 ASN 37 HD22 ASN 37 24.362 -5.068 7.965 292 H GLY 38 H GLY 38 21.425 -9.646 10.670 293 HA2 GLY 38 HA2 GLY 38 21.581 -9.734 12.975 294 HA3 GLY 38 HA3 GLY 38 22.891 -8.569 12.850 295 H VAL 39 H VAL 39 22.091 -7.766 14.909 296 HA VAL 39 HA VAL 39 21.037 -6.098 16.090 297 HB VAL 39 HB VAL 39 19.771 -5.206 13.488 298 HG11 VAL 39 HG11 VAL 39 20.295 -2.983 14.976 299 HG12 VAL 39 HG12 VAL 39 18.741 -3.817 14.918 300 HG13 VAL 39 HG13 VAL 39 19.879 -4.160 16.222 301 HG21 VAL 39 HG21 VAL 39 21.726 -3.594 13.439 302 HG22 VAL 39 HG22 VAL 39 22.497 -4.642 14.629 303 HG23 VAL 39 HG23 VAL 39 22.089 -5.272 13.033 304 H ASP 40 H ASP 40 19.296 -6.133 17.378 305 HA ASP 40 HA ASP 40 16.657 -6.815 16.350 306 HB2 ASP 40 HB2 ASP 40 17.802 -9.056 16.563 307 HB3 ASP 40 HB3 ASP 40 17.925 -8.762 18.295 308 H GLY 41 H GLY 41 15.379 -5.460 17.397 309 HA2 GLY 41 HA2 GLY 41 15.728 -5.225 20.339 310 HA3 GLY 41 HA3 GLY 41 15.749 -3.758 19.372 311 H VAL 42 H VAL 42 13.927 -2.780 20.104 312 HA VAL 42 HA VAL 42 11.419 -4.357 20.126 313 HB VAL 42 HB VAL 42 11.979 -1.505 20.980 314 HG11 VAL 42 HG11 VAL 42 9.620 -2.345 22.158 315 HG12 VAL 42 HG12 VAL 42 9.774 -1.216 20.811 316 HG13 VAL 42 HG13 VAL 42 9.499 -2.930 20.498 317 HG21 VAL 42 HG21 VAL 42 11.253 -2.813 23.219 318 HG22 VAL 42 HG22 VAL 42 12.057 -4.117 22.347 319 HG23 VAL 42 HG23 VAL 42 12.927 -2.624 22.698 320 H TRP 43 H TRP 43 10.189 -4.473 18.386 321 HA TRP 43 HA TRP 43 10.458 -2.336 16.333 322 HB2 TRP 43 HB2 TRP 43 9.293 -5.131 16.250 323 HB3 TRP 43 HB3 TRP 43 9.146 -3.986 14.919 324 HD1 TRP 43 HD1 TRP 43 12.059 -5.477 17.028 325 HE1 TRP 43 HE1 TRP 43 14.027 -5.931 15.433 326 HE3 TRP 43 HE3 TRP 43 10.003 -3.732 12.684 327 HZ2 TRP 43 HZ2 TRP 43 14.629 -5.593 12.696 328 HZ3 TRP 43 HZ3 TRP 43 11.342 -3.833 10.622 329 HH2 TRP 43 HH2 TRP 43 13.607 -4.744 10.630 330 H THR 44 H THR 44 8.645 -1.322 15.396 331 HA THR 44 HA THR 44 6.087 -1.642 16.885 332 HB THR 44 HB THR 44 5.899 0.931 16.784 333 HG1 THR 44 HG1 THR 44 7.745 2.060 16.543 334 HG21 THR 44 HG21 THR 44 7.397 1.100 18.906 335 HG22 THR 44 HG22 THR 44 7.597 -0.639 18.686 336 HG23 THR 44 HG23 THR 44 5.988 0.040 18.925 337 H TYR 45 H TYR 45 4.276 -1.402 15.678 338 HA TYR 45 HA TYR 45 4.724 -0.647 12.816 339 HB2 TYR 45 HB2 TYR 45 4.164 -2.937 12.810 340 HB3 TYR 45 HB3 TYR 45 2.958 -2.744 14.078 341 HD1 TYR 45 HD1 TYR 45 3.507 -1.022 10.803 342 HD2 TYR 45 HD2 TYR 45 0.871 -3.284 13.259 343 HE1 TYR 45 HE1 TYR 45 1.752 -0.821 9.093 344 HE2 TYR 45 HE2 TYR 45 -0.892 -3.091 11.555 345 HH TYR 45 HH TYR 45 -0.299 -2.056 8.405 346 H ASP 46 H ASP 46 3.529 0.929 11.952 347 HA ASP 46 HA ASP 46 1.176 1.877 13.536 348 HB2 ASP 46 HB2 ASP 46 3.208 3.346 13.810 349 HB3 ASP 46 HB3 ASP 46 3.129 3.683 12.082 350 H ASP 47 H ASP 47 -0.270 0.812 12.182 351 HA ASP 47 HA ASP 47 -0.253 0.754 9.391 352 HB2 ASP 47 HB2 ASP 47 -2.494 0.111 9.513 353 HB3 ASP 47 HB3 ASP 47 -1.890 -0.309 11.114 354 H ALA 48 H ALA 48 -1.050 3.402 11.545 355 HA ALA 48 HA ALA 48 -2.571 5.057 9.892 356 HB1 ALA 48 HB1 ALA 48 -0.372 5.819 11.822 357 HB2 ALA 48 HB2 ALA 48 -1.538 6.948 11.131 358 HB3 ALA 48 HB3 ALA 48 -2.091 5.642 12.179 359 H THR 49 H THR 49 1.001 4.814 10.043 360 HA THR 49 HA THR 49 1.053 6.066 7.326 361 HB THR 49 HB THR 49 3.038 7.268 7.847 362 HG1 THR 49 HG1 THR 49 3.053 6.082 10.436 363 HG21 THR 49 HG21 THR 49 0.705 7.932 8.952 364 HG22 THR 49 HG22 THR 49 2.170 8.879 9.210 365 HG23 THR 49 HG23 THR 49 1.644 7.719 10.429 366 H LYS 50 H LYS 50 0.973 3.236 8.145 367 HA LYS 50 HA LYS 50 2.337 1.308 8.054 368 HB2 LYS 50 HB2 LYS 50 3.112 1.127 5.570 369 HB3 LYS 50 HB3 LYS 50 1.394 1.225 5.933 370 HG2 LYS 50 HG2 LYS 50 2.718 3.808 5.496 371 HG3 LYS 50 HG3 LYS 50 2.663 2.741 4.091 372 HD2 LYS 50 HD2 LYS 50 0.505 3.183 3.776 373 HD3 LYS 50 HD3 LYS 50 0.125 2.733 5.441 374 HE2 LYS 50 HE2 LYS 50 -0.005 4.868 6.102 375 HE3 LYS 50 HE3 LYS 50 1.448 5.324 5.213 376 HZ1 LYS 50 HZ1 LYS 50 -0.340 6.510 4.266 377 HZ2 LYS 50 HZ2 LYS 50 -1.323 5.136 4.179 378 HZ3 LYS 50 HZ3 LYS 50 0.026 5.276 3.168 379 H THR 51 H THR 51 3.897 2.812 9.519 380 HA THR 51 HA THR 51 6.564 2.598 8.180 381 HB THR 51 HB THR 51 5.631 4.724 10.128 382 HG1 THR 51 HG1 THR 51 5.154 5.523 8.195 383 HG21 THR 51 HG21 THR 51 7.846 4.188 10.792 384 HG22 THR 51 HG22 THR 51 7.971 5.629 9.783 385 HG23 THR 51 HG23 THR 51 8.388 4.049 9.120 386 H PHE 52 H PHE 52 8.043 1.397 9.188 387 HA PHE 52 HA PHE 52 7.339 0.436 11.926 388 HB2 PHE 52 HB2 PHE 52 8.986 -0.782 9.700 389 HB3 PHE 52 HB3 PHE 52 9.017 -1.404 11.347 390 HD1 PHE 52 HD2 PHE 52 6.488 -0.410 8.785 391 HD2 PHE 52 HD1 PHE 52 7.650 -3.181 11.799 392 HE1 PHE 52 HE2 PHE 52 4.491 -1.763 8.305 393 HE2 PHE 52 HE1 PHE 52 5.654 -4.540 11.324 394 HZ PHE 52 HZ PHE 52 4.071 -3.831 9.576 395 H THR 53 H THR 53 9.055 0.105 13.470 396 HA THR 53 HA THR 53 11.501 1.719 12.934 397 HB THR 53 HB THR 53 9.836 2.007 15.452 398 HG1 THR 53 HG1 THR 53 8.788 3.457 14.336 399 HG21 THR 53 HG21 THR 53 12.270 2.292 15.760 400 HG22 THR 53 HG22 THR 53 11.382 3.795 16.011 401 HG23 THR 53 HG23 THR 53 12.265 3.533 14.507 402 H VAL 54 H VAL 54 13.201 0.476 13.293 403 HA VAL 54 HA VAL 54 12.951 -1.642 15.389 404 HB VAL 54 HB VAL 54 13.401 -2.665 13.292 405 HG11 VAL 54 HG11 VAL 54 14.249 -1.422 11.653 406 HG12 VAL 54 HG12 VAL 54 14.917 -0.256 12.796 407 HG13 VAL 54 HG13 VAL 54 15.838 -1.697 12.365 408 HG21 VAL 54 HG21 VAL 54 16.049 -2.408 14.712 409 HG22 VAL 54 HG22 VAL 54 14.736 -3.478 15.205 410 HG23 VAL 54 HG23 VAL 54 15.543 -3.727 13.656 411 H THR 55 H THR 55 14.196 -1.574 17.141 412 HA THR 55 HA THR 55 16.417 0.432 17.140 413 HB THR 55 HB THR 55 15.480 -0.440 19.775 414 HG1 THR 55 HG1 THR 55 13.545 1.015 19.465 415 HG21 THR 55 HG21 THR 55 15.182 2.364 19.166 416 HG22 THR 55 HG22 THR 55 16.740 1.764 18.600 417 HG23 THR 55 HG23 THR 55 16.284 1.574 20.293 418 H GLU 56 H GLU 56 17.738 -0.213 19.412 419 HA GLU 56 HA GLU 56 18.706 -2.976 18.800 420 HB2 GLU 56 HB2 GLU 56 20.076 -0.436 19.136 421 HB3 GLU 56 HB3 GLU 56 20.686 -1.636 20.266 422 HG2 GLU 56 HG2 GLU 56 20.431 -2.114 17.310 423 HG3 GLU 56 HG3 GLU 56 21.895 -1.509 18.084 Start of MODEL 25 1 H1 MET 1 H MET 1 -0.205 0.190 0.553 2 HA MET 1 HA MET 1 1.204 -0.948 -1.065 3 HB2 MET 1 HB2 MET 1 1.229 2.029 -1.590 4 HB3 MET 1 HB3 MET 1 1.415 0.761 -2.795 5 HG2 MET 1 HG2 MET 1 -0.781 0.440 -2.960 6 HG3 MET 1 HG3 MET 1 -1.011 0.484 -1.214 7 HE1 MET 1 HE1 MET 1 0.110 2.438 -4.116 8 HE2 MET 1 HE2 MET 1 -1.383 3.305 -4.476 9 HE3 MET 1 HE3 MET 1 -0.077 4.119 -3.614 10 H GLN 2 H GLN 2 2.692 1.443 0.962 11 HA GLN 2 HA GLN 2 5.335 0.317 0.234 12 HB2 GLN 2 HB2 GLN 2 4.486 2.825 -0.709 13 HB3 GLN 2 HB3 GLN 2 5.561 3.178 0.637 14 HG2 GLN 2 HG2 GLN 2 7.377 2.562 -0.498 15 HG3 GLN 2 HG3 GLN 2 6.592 1.129 -1.160 16 HE21 GLN 2 HE21 GLN 2 4.628 1.982 -2.670 17 HE22 GLN 2 HE22 GLN 2 5.176 3.039 -3.922 18 H TYR 3 H TYR 3 6.428 -0.207 1.997 19 HA TYR 3 HA TYR 3 5.563 1.044 4.562 20 HB2 TYR 3 HB2 TYR 3 7.025 -1.552 3.999 21 HB3 TYR 3 HB3 TYR 3 6.679 -0.934 5.610 22 HD1 TYR 3 HD2 TYR 3 4.165 -0.449 6.124 23 HD2 TYR 3 HD1 TYR 3 5.507 -2.976 2.975 24 HE1 TYR 3 HE2 TYR 3 1.966 -1.550 6.079 25 HE2 TYR 3 HE1 TYR 3 3.311 -4.084 2.920 26 HH TYR 3 HH TYR 3 1.082 -3.785 3.572 27 H LYS 4 H LYS 4 6.961 2.068 5.905 28 HA LYS 4 HA LYS 4 9.701 2.500 4.792 29 HB2 LYS 4 HB2 LYS 4 8.484 4.560 4.898 30 HB3 LYS 4 HB3 LYS 4 7.932 4.230 6.535 31 HG2 LYS 4 HG2 LYS 4 9.688 5.915 6.506 32 HG3 LYS 4 HG3 LYS 4 10.204 4.464 7.368 33 HD2 LYS 4 HD2 LYS 4 11.966 4.291 6.025 34 HD3 LYS 4 HD3 LYS 4 10.893 4.152 4.630 35 HE2 LYS 4 HE2 LYS 4 11.784 6.760 5.853 36 HE3 LYS 4 HE3 LYS 4 12.541 6.005 4.451 37 HZ1 LYS 4 HZ1 LYS 4 10.588 7.792 4.272 38 HZ2 LYS 4 HZ2 LYS 4 9.663 6.376 4.301 39 HZ3 LYS 4 HZ3 LYS 4 10.847 6.589 3.111 40 H LEU 5 H LEU 5 11.472 2.026 5.957 41 HA LEU 5 HA LEU 5 11.026 1.184 8.792 42 HB2 LEU 5 HB2 LEU 5 11.324 -0.823 7.571 43 HB3 LEU 5 HB3 LEU 5 12.646 -0.143 6.625 44 HG LEU 5 HG LEU 5 14.065 -0.150 8.635 45 HD11 LEU 5 HD11 LEU 5 11.550 -0.642 9.931 46 HD12 LEU 5 HD12 LEU 5 13.113 -0.229 10.636 47 HD13 LEU 5 HD13 LEU 5 12.704 -1.916 10.326 48 HD21 LEU 5 HD21 LEU 5 13.053 -2.926 8.542 49 HD22 LEU 5 HD22 LEU 5 14.690 -2.304 8.334 50 HD23 LEU 5 HD23 LEU 5 13.534 -2.206 7.005 51 H VAL 6 H VAL 6 12.663 1.612 10.269 52 HA VAL 6 HA VAL 6 14.937 3.245 9.231 53 HB VAL 6 HB VAL 6 13.215 3.955 11.622 54 HG11 VAL 6 HG11 VAL 6 14.657 5.961 11.757 55 HG12 VAL 6 HG12 VAL 6 15.530 4.462 12.078 56 HG13 VAL 6 HG13 VAL 6 15.697 5.263 10.516 57 HG21 VAL 6 HG21 VAL 6 12.926 4.571 8.882 58 HG22 VAL 6 HG22 VAL 6 12.017 5.221 10.246 59 HG23 VAL 6 HG23 VAL 6 13.477 6.039 9.689 60 H ILE 7 H ILE 7 16.658 2.026 9.659 61 HA ILE 7 HA ILE 7 16.716 0.423 12.141 62 HB ILE 7 HB ILE 7 18.727 0.637 9.886 63 HG12 ILE 7 HG12 ILE 7 17.149 -1.827 10.411 64 HG13 ILE 7 HG13 ILE 7 16.294 -0.472 9.684 65 HG21 ILE 7 HG21 ILE 7 18.930 -0.487 12.516 66 HG22 ILE 7 HG22 ILE 7 19.042 -1.763 11.304 67 HG23 ILE 7 HG23 ILE 7 20.149 -0.392 11.245 68 HD11 ILE 7 HD11 ILE 7 18.240 -2.300 8.527 69 HD12 ILE 7 HD12 ILE 7 17.008 -1.306 7.749 70 HD13 ILE 7 HD13 ILE 7 18.568 -0.603 8.176 71 H ASN 8 H ASN 8 17.323 1.376 13.959 72 HA ASN 8 HA ASN 8 19.570 3.345 13.785 73 HB2 ASN 8 HB2 ASN 8 17.100 3.297 15.516 74 HB3 ASN 8 HB3 ASN 8 18.537 4.188 16.011 75 HD21 ASN 8 HD21 ASN 8 19.467 5.392 13.895 76 HD22 ASN 8 HD22 ASN 8 18.296 6.423 13.154 77 H GLY 9 H GLY 9 20.796 1.215 13.892 78 HA2 GLY 9 HA2 GLY 9 20.824 -0.006 16.571 79 HA3 GLY 9 HA3 GLY 9 21.778 -0.500 15.179 80 H LYS 10 H LYS 10 22.397 0.121 18.094 81 HA LYS 10 HA LYS 10 23.861 2.489 18.361 82 HB2 LYS 10 HB2 LYS 10 23.444 0.255 19.897 83 HB3 LYS 10 HB3 LYS 10 25.162 0.120 19.543 84 HG2 LYS 10 HG2 LYS 10 25.493 1.486 21.259 85 HG3 LYS 10 HG3 LYS 10 24.849 2.773 20.238 86 HD2 LYS 10 HD2 LYS 10 22.692 2.568 21.163 87 HD3 LYS 10 HD3 LYS 10 23.070 1.009 21.900 88 HE2 LYS 10 HE2 LYS 10 24.079 1.953 23.687 89 HE3 LYS 10 HE3 LYS 10 24.773 3.264 22.735 90 HZ1 LYS 10 HZ1 LYS 10 21.876 3.199 23.258 91 HZ2 LYS 10 HZ2 LYS 10 22.872 4.526 22.926 92 HZ3 LYS 10 HZ3 LYS 10 22.933 3.782 24.444 93 H THR 11 H THR 11 24.652 -0.422 16.583 94 HA THR 11 HA THR 11 27.316 0.782 15.935 95 HB THR 11 HB THR 11 28.084 -1.476 15.374 96 HG1 THR 11 HG1 THR 11 26.717 -3.086 15.192 97 HG21 THR 11 HG21 THR 11 27.500 -0.516 17.954 98 HG22 THR 11 HG22 THR 11 28.713 -1.712 17.499 99 HG23 THR 11 HG23 THR 11 27.093 -2.231 17.961 100 H LEU 12 H LEU 12 24.536 -1.047 14.630 101 HA LEU 12 HA LEU 12 25.393 -0.214 11.896 102 HB2 LEU 12 HB2 LEU 12 25.101 -2.537 11.949 103 HB3 LEU 12 HB3 LEU 12 23.650 -2.427 12.943 104 HG LEU 12 HG LEU 12 22.344 -1.694 11.077 105 HD11 LEU 12 HD11 LEU 12 23.854 -1.860 8.809 106 HD12 LEU 12 HD12 LEU 12 24.967 -1.090 9.939 107 HD13 LEU 12 HD13 LEU 12 23.393 -0.363 9.619 108 HD21 LEU 12 HD21 LEU 12 23.104 -4.169 11.356 109 HD22 LEU 12 HD22 LEU 12 24.008 -3.864 9.872 110 HD23 LEU 12 HD23 LEU 12 22.254 -3.672 9.892 111 H LYS 13 H LYS 13 24.426 1.466 11.008 112 HA LYS 13 HA LYS 13 21.570 1.965 11.735 113 HB2 LYS 13 HB2 LYS 13 23.834 3.639 12.276 114 HB3 LYS 13 HB3 LYS 13 22.819 4.441 11.085 115 HG2 LYS 13 HG2 LYS 13 21.053 4.654 12.527 116 HG3 LYS 13 HG3 LYS 13 21.539 3.265 13.501 117 HD2 LYS 13 HD2 LYS 13 23.486 4.602 14.305 118 HD3 LYS 13 HD3 LYS 13 22.822 5.995 13.448 119 HE2 LYS 13 HE2 LYS 13 20.846 4.702 15.134 120 HE3 LYS 13 HE3 LYS 13 22.257 5.224 16.052 121 HZ1 LYS 13 HZ1 LYS 13 21.624 7.298 14.331 122 HZ2 LYS 13 HZ2 LYS 13 21.423 7.260 16.010 123 HZ3 LYS 13 HZ3 LYS 13 20.155 6.787 14.996 124 H GLY 14 H GLY 14 20.214 2.430 10.089 125 HA2 GLY 14 HA2 GLY 14 21.084 3.529 7.587 126 HA3 GLY 14 HA3 GLY 14 20.939 1.784 7.447 127 H GLU 15 H GLU 15 19.317 2.353 5.804 128 HA GLU 15 HA GLU 15 16.665 2.338 7.070 129 HB2 GLU 15 HB2 GLU 15 17.656 4.790 6.299 130 HB3 GLU 15 HB3 GLU 15 16.753 4.293 4.875 131 HG2 GLU 15 HG2 GLU 15 14.737 4.127 6.090 132 HG3 GLU 15 HG3 GLU 15 15.576 4.247 7.636 133 H THR 16 H THR 16 14.947 1.780 5.586 134 HA THR 16 HA THR 16 15.541 1.089 2.846 135 HB THR 16 HB THR 16 16.768 -0.765 3.818 136 HG1 THR 16 HG1 THR 16 15.897 -2.082 2.403 137 HG21 THR 16 HG21 THR 16 15.875 -0.974 6.001 138 HG22 THR 16 HG22 THR 16 15.471 -2.478 5.174 139 HG23 THR 16 HG23 THR 16 14.242 -1.231 5.390 140 H THR 17 H THR 17 13.725 -0.136 1.818 141 HA THR 17 HA THR 17 11.190 0.156 3.362 142 HB THR 17 HB THR 17 10.248 0.897 0.994 143 HG1 THR 17 HG1 THR 17 11.695 1.828 -0.295 144 HG21 THR 17 HG21 THR 17 11.141 2.288 3.359 145 HG22 THR 17 HG22 THR 17 9.734 2.599 2.342 146 HG23 THR 17 HG23 THR 17 11.292 3.316 1.935 147 H THR 18 H THR 18 9.349 -0.981 2.358 148 HA THR 18 HA THR 18 10.002 -3.026 0.358 149 HB THR 18 HB THR 18 10.772 -3.951 2.618 150 HG1 THR 18 HG1 THR 18 10.462 -5.446 1.045 151 HG21 THR 18 HG21 THR 18 8.505 -3.026 3.640 152 HG22 THR 18 HG22 THR 18 9.284 -4.474 4.277 153 HG23 THR 18 HG23 THR 18 7.925 -4.621 3.162 154 H LYS 19 H LYS 19 8.196 -3.978 -0.578 155 HA LYS 19 HA LYS 19 5.623 -2.686 0.224 156 HB2 LYS 19 HB2 LYS 19 4.936 -2.793 -2.025 157 HB3 LYS 19 HB3 LYS 19 6.623 -2.302 -2.107 158 HG2 LYS 19 HG2 LYS 19 6.822 -5.019 -2.242 159 HG3 LYS 19 HG3 LYS 19 5.314 -4.714 -3.107 160 HD2 LYS 19 HD2 LYS 19 7.894 -3.264 -3.677 161 HD3 LYS 19 HD3 LYS 19 7.374 -4.714 -4.539 162 HE2 LYS 19 HE2 LYS 19 5.247 -3.469 -5.091 163 HE3 LYS 19 HE3 LYS 19 6.030 -2.020 -4.463 164 HZ1 LYS 19 HZ1 LYS 19 7.795 -2.334 -6.109 165 HZ2 LYS 19 HZ2 LYS 19 6.284 -2.140 -6.842 166 HZ3 LYS 19 HZ3 LYS 19 6.980 -3.678 -6.737 167 H ALA 20 H ALA 20 3.791 -3.879 0.554 168 HA ALA 20 HA ALA 20 3.816 -6.763 0.005 169 HB1 ALA 20 HB1 ALA 20 4.597 -7.348 2.013 170 HB2 ALA 20 HB2 ALA 20 4.439 -5.710 2.649 171 HB3 ALA 20 HB3 ALA 20 3.051 -6.798 2.661 172 H VAL 21 H VAL 21 1.780 -7.685 -0.029 173 HA VAL 21 HA VAL 21 -0.391 -5.918 -0.548 174 HB VAL 21 HB VAL 21 -1.803 -8.018 -0.355 175 HG11 VAL 21 HG11 VAL 21 -0.231 -9.149 -2.240 176 HG12 VAL 21 HG12 VAL 21 -1.276 -7.757 -2.530 177 HG13 VAL 21 HG13 VAL 21 0.439 -7.518 -2.194 178 HG21 VAL 21 HG21 VAL 21 -0.219 -9.081 1.315 179 HG22 VAL 21 HG22 VAL 21 -0.792 -10.121 0.011 180 HG23 VAL 21 HG23 VAL 21 0.832 -9.436 -0.056 181 H ASP 22 H ASP 22 0.920 -7.074 2.404 182 HA ASP 22 HA ASP 22 -1.236 -5.706 3.874 183 HB2 ASP 22 HB2 ASP 22 -2.024 -8.054 3.687 184 HB3 ASP 22 HB3 ASP 22 -0.539 -8.600 4.461 185 H ALA 23 H ALA 23 -0.728 -5.503 6.215 186 HA ALA 23 HA ALA 23 2.040 -4.701 6.499 187 HB1 ALA 23 HB1 ALA 23 0.914 -3.336 7.866 188 HB2 ALA 23 HB2 ALA 23 -0.446 -4.451 8.015 189 HB3 ALA 23 HB3 ALA 23 0.977 -4.654 9.037 190 H GLU 24 H GLU 24 0.138 -7.516 7.410 191 HA GLU 24 HA GLU 24 1.976 -8.555 9.354 192 HB2 GLU 24 HB2 GLU 24 -0.240 -9.418 9.338 193 HB3 GLU 24 HB3 GLU 24 -0.153 -9.831 7.631 194 HG2 GLU 24 HG2 GLU 24 1.087 -11.724 8.008 195 HG3 GLU 24 HG3 GLU 24 1.736 -11.126 9.533 196 H THR 25 H THR 25 1.392 -9.535 5.946 197 HA THR 25 HA THR 25 3.573 -11.325 5.774 198 HB THR 25 HB THR 25 1.717 -11.070 4.093 199 HG1 THR 25 HG1 THR 25 2.996 -11.944 2.583 200 HG21 THR 25 HG21 THR 25 1.467 -9.244 2.814 201 HG22 THR 25 HG22 THR 25 3.195 -9.137 2.481 202 HG23 THR 25 HG23 THR 25 2.538 -8.446 3.964 203 H ALA 26 H ALA 26 3.496 -7.855 5.797 204 HA ALA 26 HA ALA 26 6.028 -7.454 4.451 205 HB1 ALA 26 HB1 ALA 26 3.980 -5.825 5.171 206 HB2 ALA 26 HB2 ALA 26 5.170 -5.427 6.411 207 HB3 ALA 26 HB3 ALA 26 5.585 -5.261 4.705 208 H GLU 27 H GLU 27 5.002 -7.683 7.864 209 HA GLU 27 HA GLU 27 7.458 -7.029 9.069 210 HB2 GLU 27 HB2 GLU 27 4.970 -8.213 9.857 211 HB3 GLU 27 HB3 GLU 27 6.280 -9.149 10.562 212 HG2 GLU 27 HG2 GLU 27 7.185 -7.191 11.616 213 HG3 GLU 27 HG3 GLU 27 6.005 -6.164 10.804 214 H LYS 28 H LYS 28 6.261 -10.203 7.944 215 HA LYS 28 HA LYS 28 8.409 -11.785 8.827 216 HB2 LYS 28 HB2 LYS 28 6.415 -11.961 6.619 217 HB3 LYS 28 HB3 LYS 28 7.805 -13.035 6.528 218 HG2 LYS 28 HG2 LYS 28 6.502 -14.399 7.741 219 HG3 LYS 28 HG3 LYS 28 7.072 -13.418 9.093 220 HD2 LYS 28 HD2 LYS 28 5.063 -11.927 8.673 221 HD3 LYS 28 HD3 LYS 28 4.468 -13.196 7.600 222 HE2 LYS 28 HE2 LYS 28 5.335 -14.032 10.302 223 HE3 LYS 28 HE3 LYS 28 3.862 -13.068 10.209 224 HZ1 LYS 28 HZ1 LYS 28 4.286 -15.801 9.497 225 HZ2 LYS 28 HZ2 LYS 28 3.583 -14.928 8.230 226 HZ3 LYS 28 HZ3 LYS 28 2.835 -14.967 9.747 227 H ALA 29 H ALA 29 8.175 -9.608 6.066 228 HA ALA 29 HA ALA 29 10.680 -10.555 4.890 229 HB1 ALA 29 HB1 ALA 29 8.760 -9.579 3.591 230 HB2 ALA 29 HB2 ALA 29 9.194 -8.005 4.258 231 HB3 ALA 29 HB3 ALA 29 10.338 -8.875 3.238 232 H PHE 30 H PHE 30 9.576 -7.667 6.690 233 HA PHE 30 HA PHE 30 12.068 -6.301 6.648 234 HB2 PHE 30 HB2 PHE 30 9.569 -6.170 8.247 235 HB3 PHE 30 HB3 PHE 30 10.998 -5.462 8.991 236 HD1 PHE 30 HD2 PHE 30 12.411 -4.324 6.713 237 HD2 PHE 30 HD1 PHE 30 8.245 -4.403 7.579 238 HE1 PHE 30 HE2 PHE 30 12.097 -2.285 5.373 239 HE2 PHE 30 HE1 PHE 30 7.924 -2.364 6.240 240 HZ PHE 30 HZ PHE 30 9.852 -1.302 5.136 241 H LYS 31 H LYS 31 10.656 -8.492 9.105 242 HA LYS 31 HA LYS 31 12.717 -8.382 10.994 243 HB2 LYS 31 HB2 LYS 31 10.836 -10.579 10.151 244 HB3 LYS 31 HB3 LYS 31 12.037 -10.863 11.404 245 HG2 LYS 31 HG2 LYS 31 9.951 -8.692 11.479 246 HG3 LYS 31 HG3 LYS 31 9.830 -10.249 12.302 247 HD2 LYS 31 HD2 LYS 31 12.227 -9.445 13.207 248 HD3 LYS 31 HD3 LYS 31 11.465 -7.873 12.953 249 HE2 LYS 31 HE2 LYS 31 10.635 -8.194 15.015 250 HE3 LYS 31 HE3 LYS 31 9.469 -9.231 14.194 251 HZ1 LYS 31 HZ1 LYS 31 10.286 -11.013 15.206 252 HZ2 LYS 31 HZ2 LYS 31 11.181 -9.974 16.196 253 HZ3 LYS 31 HZ3 LYS 31 11.882 -10.625 14.800 254 H GLN 32 H GLN 32 12.523 -10.265 7.989 255 HA GLN 32 HA GLN 32 14.694 -11.985 8.344 256 HB2 GLN 32 HB2 GLN 32 13.066 -11.156 6.210 257 HB3 GLN 32 HB3 GLN 32 14.714 -10.863 5.670 258 HG2 GLN 32 HG2 GLN 32 15.044 -13.313 6.650 259 HG3 GLN 32 HG3 GLN 32 13.329 -13.408 6.256 260 HE21 GLN 32 HE21 GLN 32 16.252 -12.048 4.763 261 HE22 GLN 32 HE22 GLN 32 15.973 -12.725 3.199 262 H TYR 33 H TYR 33 14.779 -8.702 6.891 263 HA TYR 33 HA TYR 33 17.559 -8.566 6.501 264 HB2 TYR 33 HB2 TYR 33 15.662 -6.913 5.841 265 HB3 TYR 33 HB3 TYR 33 15.972 -6.168 7.406 266 HD1 TYR 33 HD2 TYR 33 17.876 -7.343 4.407 267 HD2 TYR 33 HD1 TYR 33 17.470 -4.417 7.469 268 HE1 TYR 33 HE2 TYR 33 19.731 -6.064 3.423 269 HE2 TYR 33 HE1 TYR 33 19.324 -3.129 6.493 270 HH TYR 33 HH TYR 33 21.375 -4.402 4.081 271 H ALA 34 H ALA 34 15.669 -8.259 9.434 272 HA ALA 34 HA ALA 34 17.703 -6.972 11.015 273 HB1 ALA 34 HB1 ALA 34 16.026 -8.636 12.629 274 HB2 ALA 34 HB2 ALA 34 16.022 -6.880 12.462 275 HB3 ALA 34 HB3 ALA 34 15.046 -7.870 11.378 276 H ASN 35 H ASN 35 16.770 -10.383 10.501 277 HA ASN 35 HA ASN 35 18.641 -11.464 12.377 278 HB2 ASN 35 HB2 ASN 35 17.024 -12.519 10.097 279 HB3 ASN 35 HB3 ASN 35 18.360 -13.510 10.676 280 HD21 ASN 35 HD21 ASN 35 16.690 -15.026 11.255 281 HD22 ASN 35 HD22 ASN 35 15.845 -14.835 12.750 282 H ASP 36 H ASP 36 18.795 -11.161 8.804 283 HA ASP 36 HA ASP 36 21.397 -12.199 8.486 284 HB2 ASP 36 HB2 ASP 36 19.762 -10.208 6.921 285 HB3 ASP 36 HB3 ASP 36 21.408 -10.599 6.431 286 H ASN 37 H ASN 37 20.307 -8.979 9.448 287 HA ASN 37 HA ASN 37 23.082 -7.963 9.381 288 HB2 ASN 37 HB2 ASN 37 20.370 -6.747 9.832 289 HB3 ASN 37 HB3 ASN 37 21.807 -5.890 10.382 290 HD21 ASN 37 HD21 ASN 37 20.010 -7.017 7.644 291 HD22 ASN 37 HD22 ASN 37 20.877 -6.122 6.446 292 H GLY 38 H GLY 38 21.238 -9.788 11.452 293 HA2 GLY 38 HA2 GLY 38 21.567 -10.367 13.669 294 HA3 GLY 38 HA3 GLY 38 23.100 -9.510 13.606 295 H VAL 39 H VAL 39 20.382 -7.628 12.728 296 HA VAL 39 HA VAL 39 20.600 -6.209 15.336 297 HB VAL 39 HB VAL 39 19.352 -5.325 12.719 298 HG11 VAL 39 HG11 VAL 39 19.020 -4.345 15.380 299 HG12 VAL 39 HG12 VAL 39 19.893 -3.145 14.425 300 HG13 VAL 39 HG13 VAL 39 18.324 -3.737 13.879 301 HG21 VAL 39 HG21 VAL 39 21.645 -5.302 12.340 302 HG22 VAL 39 HG22 VAL 39 21.321 -3.659 12.894 303 HG23 VAL 39 HG23 VAL 39 22.015 -4.842 14.002 304 H ASP 40 H ASP 40 19.213 -6.899 16.825 305 HA ASP 40 HA ASP 40 16.358 -7.151 15.991 306 HB2 ASP 40 HB2 ASP 40 17.377 -9.412 16.257 307 HB3 ASP 40 HB3 ASP 40 17.771 -9.012 17.926 308 H GLY 41 H GLY 41 14.824 -6.975 17.816 309 HA2 GLY 41 HA2 GLY 41 15.422 -6.197 20.405 310 HA3 GLY 41 HA3 GLY 41 15.591 -4.717 19.472 311 H VAL 42 H VAL 42 13.879 -3.478 19.826 312 HA VAL 42 HA VAL 42 11.218 -4.819 19.979 313 HB VAL 42 HB VAL 42 12.086 -2.051 20.852 314 HG11 VAL 42 HG11 VAL 42 9.868 -1.753 20.203 315 HG12 VAL 42 HG12 VAL 42 9.393 -3.364 20.743 316 HG13 VAL 42 HG13 VAL 42 9.748 -2.105 21.927 317 HG21 VAL 42 HG21 VAL 42 12.662 -4.262 22.158 318 HG22 VAL 42 HG22 VAL 42 12.123 -2.816 23.012 319 HG23 VAL 42 HG23 VAL 42 10.985 -4.123 22.685 320 H TRP 43 H TRP 43 9.787 -4.625 18.395 321 HA TRP 43 HA TRP 43 10.327 -2.527 16.331 322 HB2 TRP 43 HB2 TRP 43 9.139 -5.300 16.110 323 HB3 TRP 43 HB3 TRP 43 8.961 -4.096 14.836 324 HD1 TRP 43 HD1 TRP 43 11.878 -5.755 16.800 325 HE1 TRP 43 HE1 TRP 43 13.841 -6.076 15.167 326 HE3 TRP 43 HE3 TRP 43 9.838 -3.591 12.642 327 HZ2 TRP 43 HZ2 TRP 43 14.446 -5.489 12.473 328 HZ3 TRP 43 HZ3 TRP 43 11.175 -3.510 10.578 329 HH2 TRP 43 HH2 TRP 43 13.431 -4.440 10.497 330 H THR 44 H THR 44 8.530 -1.492 15.323 331 HA THR 44 HA THR 44 5.961 -1.740 16.812 332 HB THR 44 HB THR 44 5.829 0.838 16.634 333 HG1 THR 44 HG1 THR 44 8.054 1.722 16.891 334 HG21 THR 44 HG21 THR 44 7.728 -0.454 18.597 335 HG22 THR 44 HG22 THR 44 5.975 -0.357 18.758 336 HG23 THR 44 HG23 THR 44 6.947 1.113 18.806 337 H TYR 45 H TYR 45 4.138 -1.421 15.617 338 HA TYR 45 HA TYR 45 4.592 -0.731 12.740 339 HB2 TYR 45 HB2 TYR 45 4.057 -3.018 12.707 340 HB3 TYR 45 HB3 TYR 45 2.883 -2.865 14.010 341 HD1 TYR 45 HD1 TYR 45 3.272 -1.021 10.783 342 HD2 TYR 45 HD2 TYR 45 0.816 -3.515 13.202 343 HE1 TYR 45 HE1 TYR 45 1.465 -0.840 9.124 344 HE2 TYR 45 HE2 TYR 45 -0.997 -3.342 11.549 345 HH TYR 45 HH TYR 45 -1.623 -2.537 9.580 346 H ASP 46 H ASP 46 3.441 0.891 11.926 347 HA ASP 46 HA ASP 46 1.036 1.773 13.471 348 HB2 ASP 46 HB2 ASP 46 3.097 3.240 13.773 349 HB3 ASP 46 HB3 ASP 46 2.949 3.653 12.067 350 H ASP 47 H ASP 47 -0.371 0.719 12.070 351 HA ASP 47 HA ASP 47 -0.300 0.720 9.277 352 HB2 ASP 47 HB2 ASP 47 -2.533 0.043 9.343 353 HB3 ASP 47 HB3 ASP 47 -1.953 -0.403 10.946 354 H ALA 48 H ALA 48 -1.161 3.311 11.472 355 HA ALA 48 HA ALA 48 -2.681 4.983 9.837 356 HB1 ALA 48 HB1 ALA 48 -1.889 5.305 12.260 357 HB2 ALA 48 HB2 ALA 48 -0.466 6.072 11.555 358 HB3 ALA 48 HB3 ALA 48 -2.069 6.740 11.252 359 H THR 49 H THR 49 0.890 4.755 10.009 360 HA THR 49 HA THR 49 0.956 6.052 7.314 361 HB THR 49 HB THR 49 2.879 7.316 7.870 362 HG1 THR 49 HG1 THR 49 3.012 6.286 10.493 363 HG21 THR 49 HG21 THR 49 2.148 8.732 9.684 364 HG22 THR 49 HG22 THR 49 1.113 7.451 10.316 365 HG23 THR 49 HG23 THR 49 0.738 8.204 8.766 366 H LYS 50 H LYS 50 0.924 3.217 8.094 367 HA LYS 50 HA LYS 50 2.326 1.317 8.008 368 HB2 LYS 50 HB2 LYS 50 3.178 1.204 5.536 369 HB3 LYS 50 HB3 LYS 50 1.450 1.230 5.863 370 HG2 LYS 50 HG2 LYS 50 2.685 3.869 5.501 371 HG3 LYS 50 HG3 LYS 50 2.697 2.827 4.076 372 HD2 LYS 50 HD2 LYS 50 0.531 3.201 3.726 373 HD3 LYS 50 HD3 LYS 50 0.136 2.698 5.371 374 HE2 LYS 50 HE2 LYS 50 -0.047 4.815 6.099 375 HE3 LYS 50 HE3 LYS 50 1.361 5.352 5.185 376 HZ1 LYS 50 HZ1 LYS 50 0.042 6.210 3.647 377 HZ2 LYS 50 HZ2 LYS 50 -1.301 5.826 4.601 378 HZ3 LYS 50 HZ3 LYS 50 -0.762 4.738 3.424 379 H THR 51 H THR 51 3.817 2.831 9.534 380 HA THR 51 HA THR 51 6.521 2.703 8.256 381 HB THR 51 HB THR 51 5.497 4.746 10.248 382 HG1 THR 51 HG1 THR 51 5.335 4.798 7.713 383 HG21 THR 51 HG21 THR 51 7.597 4.853 11.009 384 HG22 THR 51 HG22 THR 51 8.038 5.500 9.428 385 HG23 THR 51 HG23 THR 51 8.185 3.772 9.747 386 H PHE 52 H PHE 52 7.928 1.399 9.215 387 HA PHE 52 HA PHE 52 7.232 0.428 11.950 388 HB2 PHE 52 HB2 PHE 52 8.894 -0.809 9.739 389 HB3 PHE 52 HB3 PHE 52 8.779 -1.477 11.364 390 HD1 PHE 52 HD1 PHE 52 6.568 -0.350 8.581 391 HD2 PHE 52 HD2 PHE 52 7.209 -3.103 11.763 392 HE1 PHE 52 HE1 PHE 52 4.535 -1.573 7.928 393 HE2 PHE 52 HE2 PHE 52 5.178 -4.331 11.115 394 HZ PHE 52 HZ PHE 52 3.838 -3.567 9.194 395 H THR 53 H THR 53 8.924 0.078 13.492 396 HA THR 53 HA THR 53 11.418 1.616 12.942 397 HB THR 53 HB THR 53 9.927 1.903 15.556 398 HG1 THR 53 HG1 THR 53 9.932 3.799 13.436 399 HG21 THR 53 HG21 THR 53 12.515 2.559 14.765 400 HG22 THR 53 HG22 THR 53 11.667 3.150 16.194 401 HG23 THR 53 HG23 THR 53 11.630 4.082 14.698 402 H VAL 54 H VAL 54 13.156 0.467 13.424 403 HA VAL 54 HA VAL 54 12.832 -1.742 15.417 404 HB VAL 54 HB VAL 54 13.353 -2.661 13.267 405 HG11 VAL 54 HG11 VAL 54 14.878 -0.265 12.951 406 HG12 VAL 54 HG12 VAL 54 15.912 -1.661 12.637 407 HG13 VAL 54 HG13 VAL 54 14.410 -1.453 11.735 408 HG21 VAL 54 HG21 VAL 54 15.923 -2.573 14.841 409 HG22 VAL 54 HG22 VAL 54 14.538 -3.586 15.247 410 HG23 VAL 54 HG23 VAL 54 15.399 -3.837 13.729 411 H THR 55 H THR 55 13.849 -1.516 17.280 412 HA THR 55 HA THR 55 16.216 0.316 17.343 413 HB THR 55 HB THR 55 14.221 1.099 18.642 414 HG1 THR 55 HG1 THR 55 16.661 1.252 19.264 415 HG21 THR 55 HG21 THR 55 14.772 -0.929 20.740 416 HG22 THR 55 HG22 THR 55 13.803 -1.433 19.355 417 HG23 THR 55 HG23 THR 55 13.277 -0.078 20.353 418 H GLU 56 H GLU 56 18.031 -0.265 18.533 419 HA GLU 56 HA GLU 56 18.473 -3.132 18.694 420 HB2 GLU 56 HB2 GLU 56 20.080 -0.660 19.021 421 HB3 GLU 56 HB3 GLU 56 20.640 -2.060 19.925 422 HG2 GLU 56 HG2 GLU 56 20.043 -2.184 16.988 423 HG3 GLU 56 HG3 GLU 56 21.619 -1.708 17.617 Start of MODEL 26 1 H1 MET 1 H MET 1 1.587 2.215 -1.071 2 HA MET 1 HA MET 1 1.323 -0.675 -0.554 3 HB2 MET 1 HB2 MET 1 0.731 0.561 -2.921 4 HB3 MET 1 HB3 MET 1 2.410 0.105 -3.173 5 HG2 MET 1 HG2 MET 1 1.768 -2.223 -2.476 6 HG3 MET 1 HG3 MET 1 0.089 -1.692 -2.542 7 HE1 MET 1 HE1 MET 1 -0.382 -3.661 -4.115 8 HE2 MET 1 HE2 MET 1 -1.295 -2.259 -4.672 9 HE3 MET 1 HE3 MET 1 -0.474 -3.297 -5.839 10 H GLN 2 H GLN 2 3.107 1.453 0.598 11 HA GLN 2 HA GLN 2 5.619 -0.052 0.158 12 HB2 GLN 2 HB2 GLN 2 5.375 2.952 -0.159 13 HB3 GLN 2 HB3 GLN 2 6.901 2.089 -0.022 14 HG2 GLN 2 HG2 GLN 2 6.585 1.000 -2.088 15 HG3 GLN 2 HG3 GLN 2 4.892 1.485 -2.168 16 HE21 GLN 2 HE21 GLN 2 8.131 2.344 -2.837 17 HE22 GLN 2 HE22 GLN 2 7.816 3.881 -3.559 18 H TYR 3 H TYR 3 6.467 -0.579 2.046 19 HA TYR 3 HA TYR 3 5.564 0.929 4.438 20 HB2 TYR 3 HB2 TYR 3 7.059 -1.702 4.209 21 HB3 TYR 3 HB3 TYR 3 6.461 -0.988 5.703 22 HD1 TYR 3 HD1 TYR 3 3.805 0.004 4.492 23 HD2 TYR 3 HD2 TYR 3 5.819 -3.741 4.356 24 HE1 TYR 3 HE1 TYR 3 1.649 -1.137 4.176 25 HE2 TYR 3 HE2 TYR 3 3.669 -4.892 4.038 26 HH TYR 3 HH TYR 3 0.611 -3.085 3.961 27 H LYS 4 H LYS 4 6.870 2.092 5.731 28 HA LYS 4 HA LYS 4 9.675 2.418 4.778 29 HB2 LYS 4 HB2 LYS 4 8.447 4.480 4.815 30 HB3 LYS 4 HB3 LYS 4 7.865 4.179 6.447 31 HG2 LYS 4 HG2 LYS 4 9.586 5.832 6.540 32 HG3 LYS 4 HG3 LYS 4 10.203 4.341 7.257 33 HD2 LYS 4 HD2 LYS 4 11.973 4.941 5.919 34 HD3 LYS 4 HD3 LYS 4 11.069 3.898 4.819 35 HE2 LYS 4 HE2 LYS 4 10.278 6.728 4.788 36 HE3 LYS 4 HE3 LYS 4 11.917 6.408 4.223 37 HZ1 LYS 4 HZ1 LYS 4 9.762 4.715 3.198 38 HZ2 LYS 4 HZ2 LYS 4 11.174 5.247 2.433 39 HZ3 LYS 4 HZ3 LYS 4 9.862 6.299 2.612 40 H LEU 5 H LEU 5 11.392 1.906 5.995 41 HA LEU 5 HA LEU 5 10.842 1.109 8.825 42 HB2 LEU 5 HB2 LEU 5 11.192 -0.902 7.615 43 HB3 LEU 5 HB3 LEU 5 12.563 -0.224 6.739 44 HG LEU 5 HG LEU 5 13.843 -0.198 8.867 45 HD11 LEU 5 HD11 LEU 5 11.242 -1.094 9.898 46 HD12 LEU 5 HD12 LEU 5 12.552 -0.232 10.705 47 HD13 LEU 5 HD13 LEU 5 12.640 -1.982 10.504 48 HD21 LEU 5 HD21 LEU 5 12.905 -2.997 8.518 49 HD22 LEU 5 HD22 LEU 5 14.545 -2.355 8.612 50 HD23 LEU 5 HD23 LEU 5 13.609 -2.172 7.128 51 H VAL 6 H VAL 6 12.322 1.674 10.371 52 HA VAL 6 HA VAL 6 14.662 3.270 9.411 53 HB VAL 6 HB VAL 6 12.836 3.974 11.726 54 HG11 VAL 6 HG11 VAL 6 14.254 6.002 11.897 55 HG12 VAL 6 HG12 VAL 6 15.114 4.512 12.289 56 HG13 VAL 6 HG13 VAL 6 15.359 5.286 10.723 57 HG21 VAL 6 HG21 VAL 6 12.034 5.756 10.460 58 HG22 VAL 6 HG22 VAL 6 13.365 5.664 9.307 59 HG23 VAL 6 HG23 VAL 6 12.104 4.431 9.298 60 H ILE 7 H ILE 7 16.380 2.078 9.918 61 HA ILE 7 HA ILE 7 16.354 0.509 12.428 62 HB ILE 7 HB ILE 7 18.407 0.657 10.206 63 HG12 ILE 7 HG12 ILE 7 16.913 -1.831 10.756 64 HG13 ILE 7 HG13 ILE 7 15.955 -0.509 10.097 65 HG21 ILE 7 HG21 ILE 7 18.275 -1.022 12.699 66 HG22 ILE 7 HG22 ILE 7 19.286 -1.429 11.313 67 HG23 ILE 7 HG23 ILE 7 19.560 0.074 12.192 68 HD11 ILE 7 HD11 ILE 7 17.358 -0.379 8.165 69 HD12 ILE 7 HD12 ILE 7 18.484 -1.552 8.850 70 HD13 ILE 7 HD13 ILE 7 16.857 -2.055 8.390 71 H ASN 8 H ASN 8 16.882 1.546 14.230 72 HA ASN 8 HA ASN 8 19.174 3.466 14.072 73 HB2 ASN 8 HB2 ASN 8 16.573 3.570 15.550 74 HB3 ASN 8 HB3 ASN 8 17.991 4.283 16.314 75 HD21 ASN 8 HD21 ASN 8 19.339 5.553 14.531 76 HD22 ASN 8 HD22 ASN 8 18.399 6.715 13.663 77 H GLY 9 H GLY 9 20.186 1.143 14.287 78 HA2 GLY 9 HA2 GLY 9 20.132 0.051 16.987 79 HA3 GLY 9 HA3 GLY 9 21.180 -0.450 15.669 80 H LYS 10 H LYS 10 21.666 0.115 18.581 81 HA LYS 10 HA LYS 10 23.071 2.515 18.961 82 HB2 LYS 10 HB2 LYS 10 24.415 1.155 20.650 83 HB3 LYS 10 HB3 LYS 10 22.668 1.151 20.851 84 HG2 LYS 10 HG2 LYS 10 22.502 -1.041 19.899 85 HG3 LYS 10 HG3 LYS 10 24.215 -1.034 19.475 86 HD2 LYS 10 HD2 LYS 10 24.074 -2.321 21.438 87 HD3 LYS 10 HD3 LYS 10 24.665 -0.743 21.966 88 HE2 LYS 10 HE2 LYS 10 21.912 -0.498 22.090 89 HE3 LYS 10 HE3 LYS 10 22.212 -2.143 22.651 90 HZ1 LYS 10 HZ1 LYS 10 23.020 -1.388 24.560 91 HZ2 LYS 10 HZ2 LYS 10 22.441 0.143 24.133 92 HZ3 LYS 10 HZ3 LYS 10 24.043 -0.279 23.794 93 H THR 11 H THR 11 23.956 -0.328 17.143 94 HA THR 11 HA THR 11 26.653 0.887 16.680 95 HB THR 11 HB THR 11 27.470 -1.358 16.136 96 HG1 THR 11 HG1 THR 11 26.157 -3.120 16.221 97 HG21 THR 11 HG21 THR 11 28.017 -1.380 18.299 98 HG22 THR 11 HG22 THR 11 26.533 -2.284 18.604 99 HG23 THR 11 HG23 THR 11 26.537 -0.526 18.735 100 H LEU 12 H LEU 12 24.058 -1.080 15.179 101 HA LEU 12 HA LEU 12 25.027 -0.172 12.517 102 HB2 LEU 12 HB2 LEU 12 24.731 -2.526 12.650 103 HB3 LEU 12 HB3 LEU 12 23.145 -2.357 13.399 104 HG LEU 12 HG LEU 12 22.168 -1.646 11.337 105 HD11 LEU 12 HD11 LEU 12 24.057 -1.908 9.357 106 HD12 LEU 12 HD12 LEU 12 24.931 -1.066 10.636 107 HD13 LEU 12 HD13 LEU 12 23.432 -0.389 10.000 108 HD21 LEU 12 HD21 LEU 12 22.075 -3.695 10.420 109 HD22 LEU 12 HD22 LEU 12 23.100 -4.154 11.780 110 HD23 LEU 12 HD23 LEU 12 23.823 -3.795 10.211 111 H LYS 13 H LYS 13 23.993 1.307 11.352 112 HA LYS 13 HA LYS 13 21.159 1.906 12.070 113 HB2 LYS 13 HB2 LYS 13 23.397 3.591 12.556 114 HB3 LYS 13 HB3 LYS 13 22.493 4.305 11.227 115 HG2 LYS 13 HG2 LYS 13 20.553 4.534 12.521 116 HG3 LYS 13 HG3 LYS 13 21.153 3.436 13.766 117 HD2 LYS 13 HD2 LYS 13 23.006 5.585 13.460 118 HD3 LYS 13 HD3 LYS 13 21.384 6.254 13.653 119 HE2 LYS 13 HE2 LYS 13 21.389 4.309 15.550 120 HE3 LYS 13 HE3 LYS 13 23.079 4.810 15.569 121 HZ1 LYS 13 HZ1 LYS 13 20.866 6.110 16.696 122 HZ2 LYS 13 HZ2 LYS 13 21.502 7.111 15.491 123 HZ3 LYS 13 HZ3 LYS 13 22.493 6.569 16.750 124 H GLY 14 H GLY 14 19.822 2.524 10.395 125 HA2 GLY 14 HA2 GLY 14 20.740 3.301 7.814 126 HA3 GLY 14 HA3 GLY 14 20.495 1.561 7.811 127 H GLU 15 H GLU 15 18.941 2.317 6.075 128 HA GLU 15 HA GLU 15 16.276 2.278 7.263 129 HB2 GLU 15 HB2 GLU 15 17.445 4.786 6.305 130 HB3 GLU 15 HB3 GLU 15 15.934 4.390 5.499 131 HG2 GLU 15 HG2 GLU 15 14.706 4.502 7.449 132 HG3 GLU 15 HG3 GLU 15 16.118 4.247 8.474 133 H THR 16 H THR 16 14.785 1.382 5.930 134 HA THR 16 HA THR 16 15.323 1.240 3.038 135 HB THR 16 HB THR 16 16.590 -0.688 3.947 136 HG1 THR 16 HG1 THR 16 15.609 -0.866 1.884 137 HG21 THR 16 HG21 THR 16 14.054 -2.070 4.672 138 HG22 THR 16 HG22 THR 16 14.753 -0.946 5.838 139 HG23 THR 16 HG23 THR 16 15.692 -2.327 5.272 140 H THR 17 H THR 17 13.549 -0.078 1.921 141 HA THR 17 HA THR 17 10.991 0.184 3.442 142 HB THR 17 HB THR 17 10.080 0.827 1.026 143 HG1 THR 17 HG1 THR 17 11.568 2.086 -0.103 144 HG21 THR 17 HG21 THR 17 10.885 3.312 1.819 145 HG22 THR 17 HG22 THR 17 11.043 2.390 3.314 146 HG23 THR 17 HG23 THR 17 9.495 2.448 2.473 147 H THR 18 H THR 18 9.161 -0.969 2.372 148 HA THR 18 HA THR 18 9.887 -3.093 0.492 149 HB THR 18 HB THR 18 10.606 -3.968 2.759 150 HG1 THR 18 HG1 THR 18 9.440 -6.003 2.385 151 HG21 THR 18 HG21 THR 18 7.650 -4.232 3.279 152 HG22 THR 18 HG22 THR 18 8.630 -2.933 3.959 153 HG23 THR 18 HG23 THR 18 8.984 -4.611 4.367 154 H LYS 19 H LYS 19 8.155 -3.879 -0.609 155 HA LYS 19 HA LYS 19 5.537 -2.658 0.130 156 HB2 LYS 19 HB2 LYS 19 4.947 -2.752 -2.139 157 HB3 LYS 19 HB3 LYS 19 6.647 -2.301 -2.167 158 HG2 LYS 19 HG2 LYS 19 6.859 -4.984 -2.303 159 HG3 LYS 19 HG3 LYS 19 5.317 -4.741 -3.126 160 HD2 LYS 19 HD2 LYS 19 7.608 -2.987 -3.860 161 HD3 LYS 19 HD3 LYS 19 7.611 -4.656 -4.435 162 HE2 LYS 19 HE2 LYS 19 6.011 -4.246 -5.941 163 HE3 LYS 19 HE3 LYS 19 5.037 -3.340 -4.784 164 HZ1 LYS 19 HZ1 LYS 19 5.930 -1.381 -5.424 165 HZ2 LYS 19 HZ2 LYS 19 6.170 -2.212 -6.877 166 HZ3 LYS 19 HZ3 LYS 19 7.447 -2.039 -5.781 167 H ALA 20 H ALA 20 3.726 -3.850 0.476 168 HA ALA 20 HA ALA 20 3.733 -6.727 -0.112 169 HB1 ALA 20 HB1 ALA 20 4.577 -5.826 2.442 170 HB2 ALA 20 HB2 ALA 20 2.977 -6.543 2.634 171 HB3 ALA 20 HB3 ALA 20 4.281 -7.479 1.904 172 H VAL 21 H VAL 21 1.659 -7.738 0.237 173 HA VAL 21 HA VAL 21 -0.513 -5.766 -0.121 174 HB VAL 21 HB VAL 21 -0.853 -8.758 -0.197 175 HG11 VAL 21 HG11 VAL 21 -2.938 -7.958 -0.514 176 HG12 VAL 21 HG12 VAL 21 -2.366 -6.375 -1.045 177 HG13 VAL 21 HG13 VAL 21 -2.377 -7.733 -2.170 178 HG21 VAL 21 HG21 VAL 21 -0.442 -8.449 -2.718 179 HG22 VAL 21 HG22 VAL 21 0.422 -6.984 -2.252 180 HG23 VAL 21 HG23 VAL 21 0.958 -8.553 -1.652 181 H ASP 22 H ASP 22 0.909 -6.659 2.520 182 HA ASP 22 HA ASP 22 -1.375 -6.289 4.192 183 HB2 ASP 22 HB2 ASP 22 -1.737 -8.687 3.397 184 HB3 ASP 22 HB3 ASP 22 -0.296 -9.115 4.315 185 H ALA 23 H ALA 23 -0.801 -5.814 6.275 186 HA ALA 23 HA ALA 23 1.908 -5.125 6.759 187 HB1 ALA 23 HB1 ALA 23 -0.603 -5.168 8.293 188 HB2 ALA 23 HB2 ALA 23 0.864 -5.284 9.266 189 HB3 ALA 23 HB3 ALA 23 0.638 -3.920 8.171 190 H GLU 24 H GLU 24 0.034 -8.023 7.570 191 HA GLU 24 HA GLU 24 2.089 -9.141 9.279 192 HB2 GLU 24 HB2 GLU 24 0.739 -11.124 9.297 193 HB3 GLU 24 HB3 GLU 24 -0.345 -9.741 9.362 194 HG2 GLU 24 HG2 GLU 24 -1.459 -10.761 7.732 195 HG3 GLU 24 HG3 GLU 24 -0.164 -10.197 6.677 196 H THR 25 H THR 25 1.426 -9.124 5.848 197 HA THR 25 HA THR 25 3.061 -11.418 5.200 198 HB THR 25 HB THR 25 2.134 -9.083 3.502 199 HG1 THR 25 HG1 THR 25 0.606 -10.606 2.783 200 HG21 THR 25 HG21 THR 25 3.759 -9.782 2.098 201 HG22 THR 25 HG22 THR 25 2.634 -11.096 1.753 202 HG23 THR 25 HG23 THR 25 3.938 -11.333 2.916 203 H ALA 26 H ALA 26 3.635 -7.938 5.519 204 HA ALA 26 HA ALA 26 6.330 -8.096 4.421 205 HB1 ALA 26 HB1 ALA 26 5.706 -5.955 4.160 206 HB2 ALA 26 HB2 ALA 26 4.552 -6.016 5.493 207 HB3 ALA 26 HB3 ALA 26 6.265 -5.755 5.821 208 H GLU 27 H GLU 27 4.834 -8.239 7.616 209 HA GLU 27 HA GLU 27 7.054 -7.762 9.251 210 HB2 GLU 27 HB2 GLU 27 4.483 -9.096 9.496 211 HB3 GLU 27 HB3 GLU 27 5.711 -9.900 10.463 212 HG2 GLU 27 HG2 GLU 27 6.208 -7.861 11.628 213 HG3 GLU 27 HG3 GLU 27 5.122 -6.952 10.578 214 H LYS 28 H LYS 28 6.279 -10.578 7.295 215 HA LYS 28 HA LYS 28 8.245 -12.307 8.543 216 HB2 LYS 28 HB2 LYS 28 6.263 -12.475 6.438 217 HB3 LYS 28 HB3 LYS 28 7.778 -13.195 5.909 218 HG2 LYS 28 HG2 LYS 28 7.092 -15.037 6.945 219 HG3 LYS 28 HG3 LYS 28 7.468 -14.198 8.451 220 HD2 LYS 28 HD2 LYS 28 5.213 -13.485 8.713 221 HD3 LYS 28 HD3 LYS 28 4.794 -14.004 7.078 222 HE2 LYS 28 HE2 LYS 28 4.938 -16.283 7.657 223 HE3 LYS 28 HE3 LYS 28 5.777 -15.929 9.167 224 HZ1 LYS 28 HZ1 LYS 28 3.397 -14.575 9.336 225 HZ2 LYS 28 HZ2 LYS 28 3.796 -16.012 10.133 226 HZ3 LYS 28 HZ3 LYS 28 2.981 -16.065 8.651 227 H ALA 29 H ALA 29 8.191 -10.118 5.753 228 HA ALA 29 HA ALA 29 10.845 -10.930 4.855 229 HB1 ALA 29 HB1 ALA 29 9.425 -8.387 4.090 230 HB2 ALA 29 HB2 ALA 29 10.586 -9.329 3.155 231 HB3 ALA 29 HB3 ALA 29 8.961 -9.956 3.431 232 H PHE 30 H PHE 30 9.473 -8.464 6.960 233 HA PHE 30 HA PHE 30 11.867 -6.840 7.057 234 HB2 PHE 30 HB2 PHE 30 9.242 -6.929 8.421 235 HB3 PHE 30 HB3 PHE 30 10.557 -6.247 9.373 236 HD1 PHE 30 HD2 PHE 30 12.153 -4.834 7.419 237 HD2 PHE 30 HD1 PHE 30 7.921 -5.179 7.723 238 HE1 PHE 30 HE2 PHE 30 11.897 -2.691 6.237 239 HE2 PHE 30 HE1 PHE 30 7.658 -3.037 6.540 240 HZ PHE 30 HZ PHE 30 9.647 -1.790 5.797 241 H LYS 31 H LYS 31 10.461 -9.369 9.146 242 HA LYS 31 HA LYS 31 12.252 -9.263 11.281 243 HB2 LYS 31 HB2 LYS 31 10.761 -11.509 9.957 244 HB3 LYS 31 HB3 LYS 31 11.895 -11.869 11.253 245 HG2 LYS 31 HG2 LYS 31 9.581 -9.957 11.484 246 HG3 LYS 31 HG3 LYS 31 9.562 -11.638 12.022 247 HD2 LYS 31 HD2 LYS 31 11.481 -11.120 13.516 248 HD3 LYS 31 HD3 LYS 31 11.342 -9.425 13.044 249 HE2 LYS 31 HE2 LYS 31 8.794 -10.510 13.880 250 HE3 LYS 31 HE3 LYS 31 10.018 -10.700 15.135 251 HZ1 LYS 31 HZ1 LYS 31 10.412 -8.389 15.168 252 HZ2 LYS 31 HZ2 LYS 31 8.730 -8.568 15.186 253 HZ3 LYS 31 HZ3 LYS 31 9.518 -8.125 13.756 254 H GLN 32 H GLN 32 12.685 -10.762 8.090 255 HA GLN 32 HA GLN 32 15.117 -12.120 8.662 256 HB2 GLN 32 HB2 GLN 32 13.497 -12.017 6.525 257 HB3 GLN 32 HB3 GLN 32 14.746 -10.913 5.963 258 HG2 GLN 32 HG2 GLN 32 16.267 -12.548 5.702 259 HG3 GLN 32 HG3 GLN 32 15.705 -13.446 7.111 260 HE21 GLN 32 HE21 GLN 32 14.482 -12.476 3.920 261 HE22 GLN 32 HE22 GLN 32 13.802 -14.015 3.526 262 H TYR 33 H TYR 33 14.546 -8.875 7.247 263 HA TYR 33 HA TYR 33 17.212 -8.125 6.861 264 HB2 TYR 33 HB2 TYR 33 15.021 -6.863 6.317 265 HB3 TYR 33 HB3 TYR 33 15.157 -6.194 7.939 266 HD1 TYR 33 HD2 TYR 33 17.272 -4.905 8.527 267 HD2 TYR 33 HD1 TYR 33 16.237 -5.943 4.532 268 HE1 TYR 33 HE2 TYR 33 18.798 -3.169 7.687 269 HE2 TYR 33 HE1 TYR 33 17.761 -4.210 3.681 270 HH TYR 33 HH TYR 33 19.339 -1.935 5.828 271 H ALA 34 H ALA 34 15.274 -8.078 9.835 272 HA ALA 34 HA ALA 34 17.256 -6.679 11.401 273 HB1 ALA 34 HB1 ALA 34 14.639 -7.820 11.798 274 HB2 ALA 34 HB2 ALA 34 15.707 -8.250 13.134 275 HB3 ALA 34 HB3 ALA 34 15.463 -6.556 12.711 276 H ASN 35 H ASN 35 16.309 -10.136 11.179 277 HA ASN 35 HA ASN 35 18.251 -11.108 12.995 278 HB2 ASN 35 HB2 ASN 35 16.665 -12.281 10.747 279 HB3 ASN 35 HB3 ASN 35 18.009 -13.222 11.387 280 HD21 ASN 35 HD21 ASN 35 16.410 -14.755 12.047 281 HD22 ASN 35 HD22 ASN 35 15.522 -14.506 13.507 282 H ASP 36 H ASP 36 18.390 -10.896 9.416 283 HA ASP 36 HA ASP 36 20.990 -11.915 9.091 284 HB2 ASP 36 HB2 ASP 36 19.366 -9.909 7.531 285 HB3 ASP 36 HB3 ASP 36 21.001 -10.332 7.032 286 H ASN 37 H ASN 37 19.917 -8.614 9.869 287 HA ASN 37 HA ASN 37 22.703 -7.655 9.878 288 HB2 ASN 37 HB2 ASN 37 19.996 -6.406 10.193 289 HB3 ASN 37 HB3 ASN 37 21.400 -5.550 10.824 290 HD21 ASN 37 HD21 ASN 37 19.848 -6.799 7.966 291 HD22 ASN 37 HD22 ASN 37 20.760 -5.875 6.827 292 H GLY 38 H GLY 38 20.962 -9.506 11.927 293 HA2 GLY 38 HA2 GLY 38 21.195 -9.994 14.176 294 HA3 GLY 38 HA3 GLY 38 22.727 -9.136 14.117 295 H VAL 39 H VAL 39 19.978 -7.312 13.170 296 HA VAL 39 HA VAL 39 20.143 -5.850 15.764 297 HB VAL 39 HB VAL 39 19.159 -4.991 13.035 298 HG11 VAL 39 HG11 VAL 39 17.709 -3.751 14.261 299 HG12 VAL 39 HG12 VAL 39 18.699 -3.832 15.720 300 HG13 VAL 39 HG13 VAL 39 19.124 -2.711 14.425 301 HG21 VAL 39 HG21 VAL 39 21.630 -5.081 13.494 302 HG22 VAL 39 HG22 VAL 39 21.009 -3.496 13.035 303 HG23 VAL 39 HG23 VAL 39 21.373 -3.845 14.725 304 H ASP 40 H ASP 40 18.676 -6.521 17.186 305 HA ASP 40 HA ASP 40 15.856 -6.687 16.232 306 HB2 ASP 40 HB2 ASP 40 16.765 -8.986 16.455 307 HB3 ASP 40 HB3 ASP 40 17.159 -8.654 18.139 308 H GLY 41 H GLY 41 14.253 -6.480 17.974 309 HA2 GLY 41 HA2 GLY 41 14.784 -5.804 20.617 310 HA3 GLY 41 HA3 GLY 41 15.013 -4.306 19.728 311 H VAL 42 H VAL 42 13.312 -3.069 20.202 312 HA VAL 42 HA VAL 42 10.626 -4.346 20.205 313 HB VAL 42 HB VAL 42 11.509 -1.594 21.112 314 HG11 VAL 42 HG11 VAL 42 9.030 -2.091 22.199 315 HG12 VAL 42 HG12 VAL 42 9.365 -1.035 20.825 316 HG13 VAL 42 HG13 VAL 42 8.878 -2.709 20.555 317 HG21 VAL 42 HG21 VAL 42 10.909 -4.158 22.545 318 HG22 VAL 42 HG22 VAL 42 12.313 -3.102 22.702 319 HG23 VAL 42 HG23 VAL 42 10.754 -2.600 23.357 320 H TRP 43 H TRP 43 9.274 -4.151 18.558 321 HA TRP 43 HA TRP 43 9.941 -2.119 16.478 322 HB2 TRP 43 HB2 TRP 43 8.491 -4.765 16.392 323 HB3 TRP 43 HB3 TRP 43 8.321 -3.585 15.095 324 HD1 TRP 43 HD1 TRP 43 11.218 -5.424 16.921 325 HE1 TRP 43 HE1 TRP 43 13.047 -5.930 15.182 326 HE3 TRP 43 HE3 TRP 43 9.102 -3.183 12.842 327 HZ2 TRP 43 HZ2 TRP 43 13.529 -5.443 12.444 328 HZ3 TRP 43 HZ3 TRP 43 10.312 -3.248 10.701 329 HH2 TRP 43 HH2 TRP 43 12.480 -4.355 10.508 330 H THR 44 H THR 44 8.238 -0.944 15.438 331 HA THR 44 HA THR 44 5.698 -0.823 16.989 332 HB THR 44 HB THR 44 6.041 1.811 16.444 333 HG1 THR 44 HG1 THR 44 8.156 2.391 16.792 334 HG21 THR 44 HG21 THR 44 5.500 0.545 18.621 335 HG22 THR 44 HG22 THR 44 6.281 2.121 18.751 336 HG23 THR 44 HG23 THR 44 7.231 0.648 18.943 337 H TYR 45 H TYR 45 4.061 -1.072 15.642 338 HA TYR 45 HA TYR 45 4.436 -0.146 12.825 339 HB2 TYR 45 HB2 TYR 45 4.043 -2.472 12.781 340 HB3 TYR 45 HB3 TYR 45 2.813 -2.383 14.037 341 HD1 TYR 45 HD2 TYR 45 3.152 -0.354 10.932 342 HD2 TYR 45 HD1 TYR 45 0.901 -3.279 13.048 343 HE1 TYR 45 HE2 TYR 45 1.404 -0.249 9.205 344 HE2 TYR 45 HE1 TYR 45 -0.853 -3.184 11.326 345 HH TYR 45 HH TYR 45 -0.581 -0.985 8.548 346 H ASP 46 H ASP 46 3.280 1.508 12.119 347 HA ASP 46 HA ASP 46 0.798 2.198 13.642 348 HB2 ASP 46 HB2 ASP 46 2.753 3.772 13.984 349 HB3 ASP 46 HB3 ASP 46 2.634 4.182 12.275 350 H ASP 47 H ASP 47 -0.603 1.151 12.255 351 HA ASP 47 HA ASP 47 -0.561 1.098 9.478 352 HB2 ASP 47 HB2 ASP 47 -2.799 0.457 9.572 353 HB3 ASP 47 HB3 ASP 47 -2.242 0.080 11.200 354 H ALA 48 H ALA 48 -1.513 3.746 11.605 355 HA ALA 48 HA ALA 48 -2.922 5.391 9.852 356 HB1 ALA 48 HB1 ALA 48 -0.887 6.765 11.497 357 HB2 ALA 48 HB2 ALA 48 -2.634 7.000 11.411 358 HB3 ALA 48 HB3 ALA 48 -1.969 5.671 12.360 359 H THR 49 H THR 49 0.569 4.811 10.023 360 HA THR 49 HA THR 49 0.815 6.232 7.414 361 HB THR 49 HB THR 49 2.784 7.394 8.048 362 HG1 THR 49 HG1 THR 49 3.409 7.068 10.439 363 HG21 THR 49 HG21 THR 49 1.251 7.778 10.574 364 HG22 THR 49 HG22 THR 49 0.443 8.111 9.042 365 HG23 THR 49 HG23 THR 49 1.919 8.977 9.467 366 H LYS 50 H LYS 50 0.627 3.395 8.179 367 HA LYS 50 HA LYS 50 1.948 1.437 8.137 368 HB2 LYS 50 HB2 LYS 50 2.835 1.245 5.703 369 HB3 LYS 50 HB3 LYS 50 1.106 1.431 5.962 370 HG2 LYS 50 HG2 LYS 50 2.576 3.948 5.637 371 HG3 LYS 50 HG3 LYS 50 2.573 2.894 4.221 372 HD2 LYS 50 HD2 LYS 50 0.469 3.448 3.757 373 HD3 LYS 50 HD3 LYS 50 -0.052 2.983 5.378 374 HE2 LYS 50 HE2 LYS 50 -0.142 5.109 6.075 375 HE3 LYS 50 HE3 LYS 50 1.391 5.518 5.306 376 HZ1 LYS 50 HZ1 LYS 50 0.256 6.583 3.753 377 HZ2 LYS 50 HZ2 LYS 50 -1.216 6.120 4.444 378 HZ3 LYS 50 HZ3 LYS 50 -0.481 5.135 3.282 379 H THR 51 H THR 51 3.460 2.896 9.702 380 HA THR 51 HA THR 51 6.184 2.782 8.462 381 HB THR 51 HB THR 51 5.205 4.536 10.734 382 HG1 THR 51 HG1 THR 51 5.948 5.043 8.036 383 HG21 THR 51 HG21 THR 51 7.935 3.959 9.651 384 HG22 THR 51 HG22 THR 51 7.408 4.129 11.326 385 HG23 THR 51 HG23 THR 51 7.567 5.556 10.301 386 H PHE 52 H PHE 52 7.512 1.284 9.214 387 HA PHE 52 HA PHE 52 6.862 0.090 11.877 388 HB2 PHE 52 HB2 PHE 52 8.348 -1.131 9.529 389 HB3 PHE 52 HB3 PHE 52 8.023 -1.930 11.064 390 HD1 PHE 52 HD2 PHE 52 6.390 -0.440 8.092 391 HD2 PHE 52 HD1 PHE 52 6.010 -3.058 11.426 392 HE1 PHE 52 HE2 PHE 52 4.239 -1.245 7.210 393 HE2 PHE 52 HE1 PHE 52 3.859 -3.869 10.549 394 HZ PHE 52 HZ PHE 52 2.970 -2.961 8.439 395 H THR 53 H THR 53 8.210 0.474 13.486 396 HA THR 53 HA THR 53 10.930 1.485 12.798 397 HB THR 53 HB THR 53 10.081 1.603 15.618 398 HG1 THR 53 HG1 THR 53 8.793 3.331 13.764 399 HG21 THR 53 HG21 THR 53 10.937 3.896 15.398 400 HG22 THR 53 HG22 THR 53 11.116 3.657 13.660 401 HG23 THR 53 HG23 THR 53 12.090 2.712 14.785 402 H VAL 54 H VAL 54 12.774 0.761 13.975 403 HA VAL 54 HA VAL 54 12.416 -1.780 15.474 404 HB VAL 54 HB VAL 54 12.849 -2.528 13.210 405 HG11 VAL 54 HG11 VAL 54 15.471 -1.074 13.194 406 HG12 VAL 54 HG12 VAL 54 14.593 -1.797 11.845 407 HG13 VAL 54 HG13 VAL 54 14.000 -0.313 12.591 408 HG21 VAL 54 HG21 VAL 54 14.763 -3.908 13.602 409 HG22 VAL 54 HG22 VAL 54 15.407 -2.772 14.788 410 HG23 VAL 54 HG23 VAL 54 13.937 -3.680 15.144 411 H THR 55 H THR 55 13.507 -1.695 17.307 412 HA THR 55 HA THR 55 15.882 0.123 17.411 413 HB THR 55 HB THR 55 14.935 -0.558 20.034 414 HG1 THR 55 HG1 THR 55 12.851 -0.611 19.661 415 HG21 THR 55 HG21 THR 55 14.413 2.044 19.841 416 HG22 THR 55 HG22 THR 55 15.397 1.873 18.388 417 HG23 THR 55 HG23 THR 55 16.060 1.428 19.961 418 H GLU 56 H GLU 56 17.164 -0.569 19.611 419 HA GLU 56 HA GLU 56 17.874 -3.427 19.107 420 HB2 GLU 56 HB2 GLU 56 19.444 -0.984 19.604 421 HB3 GLU 56 HB3 GLU 56 19.964 -2.374 20.545 422 HG2 GLU 56 HG2 GLU 56 19.478 -2.839 17.672 423 HG3 GLU 56 HG3 GLU 56 20.865 -1.836 18.089 Start of MODEL 27 1 H1 MET 1 H MET 1 0.140 1.695 0.721 2 HA MET 1 HA MET 1 0.851 0.108 -0.748 3 HB2 MET 1 HB2 MET 1 1.468 2.699 -1.923 4 HB3 MET 1 HB3 MET 1 2.534 1.433 -2.518 5 HG2 MET 1 HG2 MET 1 0.861 0.325 -3.582 6 HG3 MET 1 HG3 MET 1 -0.369 0.854 -2.437 7 HE1 MET 1 HE1 MET 1 -1.845 0.932 -4.392 8 HE2 MET 1 HE2 MET 1 -2.031 2.333 -5.447 9 HE3 MET 1 HE3 MET 1 -0.901 1.048 -5.878 10 H GLN 2 H GLN 2 3.591 2.357 -0.210 11 HA GLN 2 HA GLN 2 5.349 -0.038 0.043 12 HB2 GLN 2 HB2 GLN 2 6.633 2.601 0.059 13 HB3 GLN 2 HB3 GLN 2 6.994 1.177 -0.906 14 HG2 GLN 2 HG2 GLN 2 4.921 1.800 -2.265 15 HG3 GLN 2 HG3 GLN 2 5.027 3.365 -1.460 16 HE21 GLN 2 HE21 GLN 2 7.659 3.864 -1.365 17 HE22 GLN 2 HE22 GLN 2 8.323 3.969 -2.956 18 H TYR 3 H TYR 3 6.475 -0.495 1.863 19 HA TYR 3 HA TYR 3 5.734 1.125 4.245 20 HB2 TYR 3 HB2 TYR 3 6.861 -1.673 3.954 21 HB3 TYR 3 HB3 TYR 3 6.621 -0.872 5.503 22 HD1 TYR 3 HD2 TYR 3 4.202 -0.003 5.968 23 HD2 TYR 3 HD1 TYR 3 5.152 -2.964 3.064 24 HE1 TYR 3 HE2 TYR 3 1.874 -0.794 6.021 25 HE2 TYR 3 HE1 TYR 3 2.826 -3.763 3.108 26 HH TYR 3 HH TYR 3 0.648 -3.055 3.715 27 H LYS 4 H LYS 4 7.282 1.753 5.801 28 HA LYS 4 HA LYS 4 10.076 1.840 4.731 29 HB2 LYS 4 HB2 LYS 4 9.399 4.053 4.485 30 HB3 LYS 4 HB3 LYS 4 8.364 4.009 5.906 31 HG2 LYS 4 HG2 LYS 4 10.258 4.107 7.367 32 HG3 LYS 4 HG3 LYS 4 11.371 3.939 6.007 33 HD2 LYS 4 HD2 LYS 4 9.487 6.166 5.743 34 HD3 LYS 4 HD3 LYS 4 10.583 6.310 7.120 35 HE2 LYS 4 HE2 LYS 4 11.419 5.798 4.266 36 HE3 LYS 4 HE3 LYS 4 11.480 7.361 5.080 37 HZ1 LYS 4 HZ1 LYS 4 12.944 6.203 6.768 38 HZ2 LYS 4 HZ2 LYS 4 13.627 6.489 5.248 39 HZ3 LYS 4 HZ3 LYS 4 13.080 4.939 5.651 40 H LEU 5 H LEU 5 11.759 1.632 6.187 41 HA LEU 5 HA LEU 5 10.935 0.953 8.980 42 HB2 LEU 5 HB2 LEU 5 11.411 -1.115 7.913 43 HB3 LEU 5 HB3 LEU 5 12.865 -0.472 7.153 44 HG LEU 5 HG LEU 5 13.953 -0.364 9.353 45 HD11 LEU 5 HD11 LEU 5 11.266 -0.783 10.272 46 HD12 LEU 5 HD12 LEU 5 12.705 -0.328 11.184 47 HD13 LEU 5 HD13 LEU 5 12.335 -2.031 10.914 48 HD21 LEU 5 HD21 LEU 5 14.140 -2.371 7.913 49 HD22 LEU 5 HD22 LEU 5 12.787 -3.088 8.789 50 HD23 LEU 5 HD23 LEU 5 14.295 -2.732 9.633 51 H VAL 6 H VAL 6 12.363 1.481 10.636 52 HA VAL 6 HA VAL 6 14.665 3.198 9.794 53 HB VAL 6 HB VAL 6 12.765 3.712 12.099 54 HG11 VAL 6 HG11 VAL 6 14.430 5.928 11.593 55 HG12 VAL 6 HG12 VAL 6 14.401 4.895 13.023 56 HG13 VAL 6 HG13 VAL 6 15.477 4.512 11.679 57 HG21 VAL 6 HG21 VAL 6 12.379 4.302 9.460 58 HG22 VAL 6 HG22 VAL 6 11.662 5.180 10.811 59 HG23 VAL 6 HG23 VAL 6 13.142 5.775 10.058 60 H ILE 7 H ILE 7 16.288 1.763 10.166 61 HA ILE 7 HA ILE 7 16.336 0.286 12.721 62 HB ILE 7 HB ILE 7 18.298 0.328 10.413 63 HG12 ILE 7 HG12 ILE 7 16.688 -2.067 11.127 64 HG13 ILE 7 HG13 ILE 7 15.835 -0.735 10.354 65 HG21 ILE 7 HG21 ILE 7 19.465 -0.224 12.439 66 HG22 ILE 7 HG22 ILE 7 18.211 -1.375 12.898 67 HG23 ILE 7 HG23 ILE 7 19.236 -1.699 11.500 68 HD11 ILE 7 HD11 ILE 7 17.920 -2.541 9.272 69 HD12 ILE 7 HD12 ILE 7 16.445 -1.930 8.523 70 HD13 ILE 7 HD13 ILE 7 17.857 -0.884 8.670 71 H ASN 8 H ASN 8 16.932 1.384 14.469 72 HA ASN 8 HA ASN 8 19.244 3.260 14.182 73 HB2 ASN 8 HB2 ASN 8 16.816 3.284 15.965 74 HB3 ASN 8 HB3 ASN 8 18.283 4.129 16.451 75 HD21 ASN 8 HD21 ASN 8 19.238 5.369 14.411 76 HD22 ASN 8 HD22 ASN 8 18.092 6.415 13.651 77 H GLY 9 H GLY 9 20.430 1.094 14.289 78 HA2 GLY 9 HA2 GLY 9 20.524 -0.155 16.925 79 HA3 GLY 9 HA3 GLY 9 21.549 -0.525 15.547 80 H LYS 10 H LYS 10 22.144 -0.114 18.447 81 HA LYS 10 HA LYS 10 23.412 2.353 18.913 82 HB2 LYS 10 HB2 LYS 10 23.041 0.610 20.625 83 HB3 LYS 10 HB3 LYS 10 24.278 -0.390 19.875 84 HG2 LYS 10 HG2 LYS 10 25.998 1.098 20.491 85 HG3 LYS 10 HG3 LYS 10 24.848 2.369 20.916 86 HD2 LYS 10 HD2 LYS 10 24.994 1.642 23.019 87 HD3 LYS 10 HD3 LYS 10 24.103 0.211 22.497 88 HE2 LYS 10 HE2 LYS 10 26.315 -0.810 21.880 89 HE3 LYS 10 HE3 LYS 10 27.090 0.560 22.674 90 HZ1 LYS 10 HZ1 LYS 10 25.098 -1.061 24.118 91 HZ2 LYS 10 HZ2 LYS 10 26.353 -0.112 24.740 92 HZ3 LYS 10 HZ3 LYS 10 26.700 -1.593 23.999 93 H THR 11 H THR 11 24.345 -0.289 16.861 94 HA THR 11 HA THR 11 26.951 1.102 16.367 95 HB THR 11 HB THR 11 27.824 -1.123 15.619 96 HG1 THR 11 HG1 THR 11 25.908 -2.242 15.250 97 HG21 THR 11 HG21 THR 11 28.711 -0.981 17.667 98 HG22 THR 11 HG22 THR 11 27.401 -2.031 18.209 99 HG23 THR 11 HG23 THR 11 27.237 -0.279 18.332 100 H LEU 12 H LEU 12 24.354 -0.901 14.944 101 HA LEU 12 HA LEU 12 25.169 0.108 12.259 102 HB2 LEU 12 HB2 LEU 12 24.875 -2.378 12.762 103 HB3 LEU 12 HB3 LEU 12 23.146 -2.047 12.847 104 HG LEU 12 HG LEU 12 23.133 -1.362 10.520 105 HD11 LEU 12 HD11 LEU 12 25.195 -1.704 9.152 106 HD12 LEU 12 HD12 LEU 12 26.098 -1.873 10.657 107 HD13 LEU 12 HD13 LEU 12 25.281 -0.355 10.285 108 HD21 LEU 12 HD21 LEU 12 23.953 -4.006 11.423 109 HD22 LEU 12 HD22 LEU 12 24.366 -3.693 9.737 110 HD23 LEU 12 HD23 LEU 12 22.694 -3.538 10.280 111 H LYS 13 H LYS 13 24.041 1.639 11.283 112 HA LYS 13 HA LYS 13 21.190 1.998 12.100 113 HB2 LYS 13 HB2 LYS 13 23.399 3.851 12.432 114 HB3 LYS 13 HB3 LYS 13 22.157 4.540 11.395 115 HG2 LYS 13 HG2 LYS 13 20.532 4.427 13.067 116 HG3 LYS 13 HG3 LYS 13 21.470 3.280 14.026 117 HD2 LYS 13 HD2 LYS 13 23.032 5.631 13.659 118 HD3 LYS 13 HD3 LYS 13 21.423 6.113 14.203 119 HE2 LYS 13 HE2 LYS 13 21.672 4.325 15.998 120 HE3 LYS 13 HE3 LYS 13 23.375 4.263 15.548 121 HZ1 LYS 13 HZ1 LYS 13 23.787 6.140 16.640 122 HZ2 LYS 13 HZ2 LYS 13 22.265 5.964 17.356 123 HZ3 LYS 13 HZ3 LYS 13 22.446 6.936 15.984 124 H GLY 14 H GLY 14 19.768 2.264 10.478 125 HA2 GLY 14 HA2 GLY 14 20.421 3.431 7.955 126 HA3 GLY 14 HA3 GLY 14 20.526 1.683 7.817 127 H GLU 15 H GLU 15 18.781 2.512 6.170 128 HA GLU 15 HA GLU 15 16.198 1.856 7.463 129 HB2 GLU 15 HB2 GLU 15 16.311 4.169 5.537 130 HB3 GLU 15 HB3 GLU 15 15.033 3.730 6.662 131 HG2 GLU 15 HG2 GLU 15 16.435 4.400 8.536 132 HG3 GLU 15 HG3 GLU 15 17.735 4.819 7.421 133 H THR 16 H THR 16 14.535 1.215 5.945 134 HA THR 16 HA THR 16 15.306 0.801 3.154 135 HB THR 16 HB THR 16 16.457 -1.110 3.941 136 HG1 THR 16 HG1 THR 16 15.446 -2.495 2.675 137 HG21 THR 16 HG21 THR 16 14.780 -2.763 5.335 138 HG22 THR 16 HG22 THR 16 14.327 -1.174 5.952 139 HG23 THR 16 HG23 THR 16 16.001 -1.716 6.058 140 H THR 17 H THR 17 13.585 -0.085 1.854 141 HA THR 17 HA THR 17 10.931 0.125 3.226 142 HB THR 17 HB THR 17 10.159 0.823 0.826 143 HG1 THR 17 HG1 THR 17 12.036 2.208 -0.005 144 HG21 THR 17 HG21 THR 17 11.346 3.221 1.585 145 HG22 THR 17 HG22 THR 17 11.177 2.318 3.090 146 HG23 THR 17 HG23 THR 17 9.763 2.626 2.084 147 H THR 18 H THR 18 9.157 -1.027 2.146 148 HA THR 18 HA THR 18 9.924 -3.170 0.289 149 HB THR 18 HB THR 18 10.497 -4.073 2.567 150 HG1 THR 18 HG1 THR 18 9.979 -5.536 0.939 151 HG21 THR 18 HG21 THR 18 8.742 -4.659 4.105 152 HG22 THR 18 HG22 THR 18 7.509 -4.057 2.996 153 HG23 THR 18 HG23 THR 18 8.629 -2.932 3.765 154 H LYS 19 H LYS 19 7.906 -4.736 0.077 155 HA LYS 19 HA LYS 19 5.390 -3.188 0.359 156 HB2 LYS 19 HB2 LYS 19 6.712 -3.942 -2.215 157 HB3 LYS 19 HB3 LYS 19 4.959 -4.060 -2.121 158 HG2 LYS 19 HG2 LYS 19 4.867 -1.697 -1.427 159 HG3 LYS 19 HG3 LYS 19 6.618 -1.597 -1.624 160 HD2 LYS 19 HD2 LYS 19 5.855 -0.779 -3.649 161 HD3 LYS 19 HD3 LYS 19 6.132 -2.482 -4.022 162 HE2 LYS 19 HE2 LYS 19 3.906 -2.948 -4.187 163 HE3 LYS 19 HE3 LYS 19 3.448 -1.713 -3.016 164 HZ1 LYS 19 HZ1 LYS 19 4.481 -0.303 -5.109 165 HZ2 LYS 19 HZ2 LYS 19 2.838 -0.511 -4.767 166 HZ3 LYS 19 HZ3 LYS 19 3.610 -1.541 -5.865 167 H ALA 20 H ALA 20 3.622 -4.419 0.721 168 HA ALA 20 HA ALA 20 3.596 -7.251 0.002 169 HB1 ALA 20 HB1 ALA 20 3.145 -7.856 2.489 170 HB2 ALA 20 HB2 ALA 20 4.809 -7.683 1.929 171 HB3 ALA 20 HB3 ALA 20 4.043 -6.378 2.835 172 H VAL 21 H VAL 21 1.552 -8.206 0.172 173 HA VAL 21 HA VAL 21 -0.651 -6.560 -0.279 174 HB VAL 21 HB VAL 21 -2.031 -8.578 0.510 175 HG11 VAL 21 HG11 VAL 21 -1.523 -9.819 -1.480 176 HG12 VAL 21 HG12 VAL 21 -1.343 -8.100 -1.833 177 HG13 VAL 21 HG13 VAL 21 0.085 -9.102 -1.572 178 HG21 VAL 21 HG21 VAL 21 -0.900 -10.621 0.965 179 HG22 VAL 21 HG22 VAL 21 0.672 -9.904 0.613 180 HG23 VAL 21 HG23 VAL 21 -0.223 -9.404 2.048 181 H ASP 22 H ASP 22 0.657 -7.719 2.794 182 HA ASP 22 HA ASP 22 -0.992 -5.708 4.183 183 HB2 ASP 22 HB2 ASP 22 -1.538 -7.580 5.933 184 HB3 ASP 22 HB3 ASP 22 -2.541 -7.413 4.494 185 H ALA 23 H ALA 23 -0.497 -6.067 6.725 186 HA ALA 23 HA ALA 23 2.354 -5.572 6.920 187 HB1 ALA 23 HB1 ALA 23 0.487 -5.987 9.246 188 HB2 ALA 23 HB2 ALA 23 1.938 -4.988 9.158 189 HB3 ALA 23 HB3 ALA 23 0.481 -4.505 8.290 190 H GLU 24 H GLU 24 0.159 -8.184 7.977 191 HA GLU 24 HA GLU 24 1.954 -9.712 9.473 192 HB2 GLU 24 HB2 GLU 24 0.585 -11.677 8.774 193 HB3 GLU 24 HB3 GLU 24 -0.377 -10.310 9.318 194 HG2 GLU 24 HG2 GLU 24 -1.548 -10.497 7.454 195 HG3 GLU 24 HG3 GLU 24 -0.124 -9.944 6.576 196 H THR 25 H THR 25 1.635 -9.446 5.959 197 HA THR 25 HA THR 25 3.452 -11.631 5.394 198 HB THR 25 HB THR 25 2.410 -9.346 3.706 199 HG1 THR 25 HG1 THR 25 1.948 -12.085 3.254 200 HG21 THR 25 HG21 THR 25 4.295 -11.577 2.960 201 HG22 THR 25 HG22 THR 25 4.541 -9.841 2.770 202 HG23 THR 25 HG23 THR 25 3.348 -10.677 1.777 203 H ALA 26 H ALA 26 3.754 -8.062 5.412 204 HA ALA 26 HA ALA 26 6.497 -8.004 4.630 205 HB1 ALA 26 HB1 ALA 26 5.959 -5.806 6.349 206 HB2 ALA 26 HB2 ALA 26 6.020 -5.837 4.586 207 HB3 ALA 26 HB3 ALA 26 4.496 -6.138 5.421 208 H GLU 27 H GLU 27 4.910 -8.418 7.760 209 HA GLU 27 HA GLU 27 7.135 -7.917 9.436 210 HB2 GLU 27 HB2 GLU 27 4.517 -8.765 9.772 211 HB3 GLU 27 HB3 GLU 27 5.455 -10.146 10.326 212 HG2 GLU 27 HG2 GLU 27 6.768 -8.427 11.715 213 HG3 GLU 27 HG3 GLU 27 5.405 -7.355 11.398 214 H LYS 28 H LYS 28 6.458 -10.548 7.283 215 HA LYS 28 HA LYS 28 8.335 -12.382 8.601 216 HB2 LYS 28 HB2 LYS 28 6.366 -12.501 6.442 217 HB3 LYS 28 HB3 LYS 28 7.851 -13.353 6.040 218 HG2 LYS 28 HG2 LYS 28 6.210 -14.836 7.062 219 HG3 LYS 28 HG3 LYS 28 7.656 -14.685 8.064 220 HD2 LYS 28 HD2 LYS 28 6.525 -13.736 9.757 221 HD3 LYS 28 HD3 LYS 28 5.566 -12.725 8.673 222 HE2 LYS 28 HE2 LYS 28 4.182 -14.707 8.128 223 HE3 LYS 28 HE3 LYS 28 5.097 -15.635 9.316 224 HZ1 LYS 28 HZ1 LYS 28 3.566 -13.175 9.958 225 HZ2 LYS 28 HZ2 LYS 28 4.301 -14.233 11.054 226 HZ3 LYS 28 HZ3 LYS 28 2.962 -14.743 10.156 227 H ALA 29 H ALA 29 8.234 -10.318 5.698 228 HA ALA 29 HA ALA 29 10.859 -11.137 4.787 229 HB1 ALA 29 HB1 ALA 29 10.582 -8.941 3.418 230 HB2 ALA 29 HB2 ALA 29 9.525 -10.314 3.084 231 HB3 ALA 29 HB3 ALA 29 8.935 -8.961 4.049 232 H PHE 30 H PHE 30 9.588 -8.222 6.443 233 HA PHE 30 HA PHE 30 12.007 -6.803 6.620 234 HB2 PHE 30 HB2 PHE 30 9.418 -6.798 8.012 235 HB3 PHE 30 HB3 PHE 30 10.750 -6.211 9.004 236 HD1 PHE 30 HD1 PHE 30 12.443 -4.804 7.145 237 HD2 PHE 30 HD2 PHE 30 8.194 -4.977 7.325 238 HE1 PHE 30 HE1 PHE 30 12.310 -2.615 6.029 239 HE2 PHE 30 HE2 PHE 30 8.054 -2.789 6.209 240 HZ PHE 30 HZ PHE 30 10.113 -1.606 5.558 241 H LYS 31 H LYS 31 10.711 -9.364 8.719 242 HA LYS 31 HA LYS 31 12.536 -9.212 10.834 243 HB2 LYS 31 HB2 LYS 31 10.515 -10.850 10.278 244 HB3 LYS 31 HB3 LYS 31 11.819 -11.912 9.763 245 HG2 LYS 31 HG2 LYS 31 12.131 -12.518 11.864 246 HG3 LYS 31 HG3 LYS 31 12.558 -10.855 12.272 247 HD2 LYS 31 HD2 LYS 31 9.720 -11.860 12.147 248 HD3 LYS 31 HD3 LYS 31 10.685 -11.850 13.626 249 HE2 LYS 31 HE2 LYS 31 11.054 -9.323 12.928 250 HE3 LYS 31 HE3 LYS 31 9.526 -9.584 12.087 251 HZ1 LYS 31 HZ1 LYS 31 8.701 -8.982 14.081 252 HZ2 LYS 31 HZ2 LYS 31 10.076 -9.463 14.941 253 HZ3 LYS 31 HZ3 LYS 31 8.937 -10.615 14.452 254 H GLN 32 H GLN 32 13.008 -10.384 7.558 255 HA GLN 32 HA GLN 32 15.435 -11.833 8.058 256 HB2 GLN 32 HB2 GLN 32 13.794 -11.586 5.929 257 HB3 GLN 32 HB3 GLN 32 15.076 -10.490 5.432 258 HG2 GLN 32 HG2 GLN 32 16.151 -12.263 4.661 259 HG3 GLN 32 HG3 GLN 32 16.419 -12.734 6.338 260 HE21 GLN 32 HE21 GLN 32 15.896 -14.223 3.752 261 HE22 GLN 32 HE22 GLN 32 14.631 -15.328 4.156 262 H TYR 33 H TYR 33 14.811 -8.510 6.869 263 HA TYR 33 HA TYR 33 17.452 -7.697 6.482 264 HB2 TYR 33 HB2 TYR 33 15.149 -6.448 6.191 265 HB3 TYR 33 HB3 TYR 33 15.515 -5.814 7.792 266 HD1 TYR 33 HD2 TYR 33 16.594 -5.900 4.275 267 HD2 TYR 33 HD1 TYR 33 17.259 -4.195 8.116 268 HE1 TYR 33 HE2 TYR 33 18.033 -4.184 3.258 269 HE2 TYR 33 HE1 TYR 33 18.698 -2.473 7.110 270 HH TYR 33 HH TYR 33 19.454 -1.586 5.209 271 H ALA 34 H ALA 34 15.586 -7.852 9.504 272 HA ALA 34 HA ALA 34 17.582 -6.564 11.124 273 HB1 ALA 34 HB1 ALA 34 14.999 -7.711 11.484 274 HB2 ALA 34 HB2 ALA 34 16.082 -8.397 12.696 275 HB3 ALA 34 HB3 ALA 34 15.897 -6.648 12.568 276 H ASN 35 H ASN 35 16.775 -10.009 10.547 277 HA ASN 35 HA ASN 35 18.787 -11.072 12.252 278 HB2 ASN 35 HB2 ASN 35 17.086 -12.077 10.037 279 HB3 ASN 35 HB3 ASN 35 18.553 -12.999 10.354 280 HD21 ASN 35 HD21 ASN 35 17.012 -14.685 10.917 281 HD22 ASN 35 HD22 ASN 35 16.367 -14.725 12.520 282 H ASP 36 H ASP 36 18.811 -10.540 8.703 283 HA ASP 36 HA ASP 36 21.433 -11.432 8.221 284 HB2 ASP 36 HB2 ASP 36 19.656 -9.404 6.884 285 HB3 ASP 36 HB3 ASP 36 21.310 -9.631 6.324 286 H ASN 37 H ASN 37 20.266 -8.282 9.368 287 HA ASN 37 HA ASN 37 23.013 -7.205 9.360 288 HB2 ASN 37 HB2 ASN 37 20.275 -6.097 9.909 289 HB3 ASN 37 HB3 ASN 37 21.688 -5.241 10.520 290 HD21 ASN 37 HD21 ASN 37 19.979 -6.295 7.680 291 HD22 ASN 37 HD22 ASN 37 20.796 -5.262 6.561 292 H GLY 38 H GLY 38 21.346 -9.268 11.303 293 HA2 GLY 38 HA2 GLY 38 21.706 -9.968 13.478 294 HA3 GLY 38 HA3 GLY 38 23.198 -9.039 13.456 295 H VAL 39 H VAL 39 20.404 -7.210 12.742 296 HA VAL 39 HA VAL 39 20.548 -6.034 15.480 297 HB VAL 39 HB VAL 39 19.556 -4.908 12.853 298 HG11 VAL 39 HG11 VAL 39 18.053 -3.853 14.186 299 HG12 VAL 39 HG12 VAL 39 19.031 -4.058 15.640 300 HG13 VAL 39 HG13 VAL 39 19.432 -2.794 14.476 301 HG21 VAL 39 HG21 VAL 39 21.446 -3.645 12.804 302 HG22 VAL 39 HG22 VAL 39 21.572 -3.564 14.562 303 HG23 VAL 39 HG23 VAL 39 22.075 -5.023 13.708 304 H ASP 40 H ASP 40 19.125 -6.995 16.791 305 HA ASP 40 HA ASP 40 16.292 -7.054 15.851 306 HB2 ASP 40 HB2 ASP 40 17.307 -9.347 15.781 307 HB3 ASP 40 HB3 ASP 40 17.593 -9.230 17.515 308 H GLY 41 H GLY 41 14.721 -7.240 17.683 309 HA2 GLY 41 HA2 GLY 41 15.250 -6.879 20.361 310 HA3 GLY 41 HA3 GLY 41 15.467 -5.267 19.695 311 H VAL 42 H VAL 42 13.764 -4.026 20.035 312 HA VAL 42 HA VAL 42 11.091 -5.328 20.135 313 HB VAL 42 HB VAL 42 11.633 -3.928 22.040 314 HG11 VAL 42 HG11 VAL 42 12.813 -2.054 21.878 315 HG12 VAL 42 HG12 VAL 42 12.888 -2.291 20.131 316 HG13 VAL 42 HG13 VAL 42 11.590 -1.328 20.837 317 HG21 VAL 42 HG21 VAL 42 9.713 -2.214 20.543 318 HG22 VAL 42 HG22 VAL 42 9.309 -3.911 20.801 319 HG23 VAL 42 HG23 VAL 42 9.611 -2.857 22.182 320 H TRP 43 H TRP 43 9.724 -5.206 18.497 321 HA TRP 43 HA TRP 43 10.252 -3.116 16.425 322 HB2 TRP 43 HB2 TRP 43 9.171 -5.918 16.296 323 HB3 TRP 43 HB3 TRP 43 8.716 -4.752 15.056 324 HD1 TRP 43 HD1 TRP 43 11.946 -6.268 16.578 325 HE1 TRP 43 HE1 TRP 43 13.727 -6.360 14.722 326 HE3 TRP 43 HE3 TRP 43 9.335 -3.967 12.832 327 HZ2 TRP 43 HZ2 TRP 43 13.990 -5.563 12.027 328 HZ3 TRP 43 HZ3 TRP 43 10.424 -3.670 10.646 329 HH2 TRP 43 HH2 TRP 43 12.704 -4.452 10.254 330 H THR 44 H THR 44 8.485 -2.037 15.437 331 HA THR 44 HA THR 44 5.895 -2.250 16.884 332 HB THR 44 HB THR 44 5.776 0.280 16.919 333 HG1 THR 44 HG1 THR 44 8.403 -0.095 16.034 334 HG21 THR 44 HG21 THR 44 6.213 -1.082 18.936 335 HG22 THR 44 HG22 THR 44 7.010 0.490 18.999 336 HG23 THR 44 HG23 THR 44 7.943 -0.958 18.620 337 H TYR 45 H TYR 45 4.138 -1.033 15.789 338 HA TYR 45 HA TYR 45 4.661 -0.496 12.923 339 HB2 TYR 45 HB2 TYR 45 4.076 -2.809 12.818 340 HB3 TYR 45 HB3 TYR 45 2.750 -2.603 13.956 341 HD1 TYR 45 HD1 TYR 45 3.695 -0.725 10.867 342 HD2 TYR 45 HD2 TYR 45 0.771 -3.086 12.862 343 HE1 TYR 45 HE1 TYR 45 2.144 -0.382 8.988 344 HE2 TYR 45 HE2 TYR 45 -0.787 -2.751 10.989 345 HH TYR 45 HH TYR 45 0.125 -0.788 8.169 346 H ASP 46 H ASP 46 3.400 1.069 12.073 347 HA ASP 46 HA ASP 46 1.068 1.965 13.708 348 HB2 ASP 46 HB2 ASP 46 3.126 3.386 14.107 349 HB3 ASP 46 HB3 ASP 46 3.045 3.859 12.412 350 H ASP 47 H ASP 47 -0.394 1.060 12.282 351 HA ASP 47 HA ASP 47 -0.331 1.146 9.493 352 HB2 ASP 47 HB2 ASP 47 -2.590 0.576 9.548 353 HB3 ASP 47 HB3 ASP 47 -2.044 0.076 11.147 354 H ALA 48 H ALA 48 -1.201 3.689 11.777 355 HA ALA 48 HA ALA 48 -2.556 5.480 10.127 356 HB1 ALA 48 HB1 ALA 48 -2.376 6.118 12.350 357 HB2 ALA 48 HB2 ALA 48 -0.630 5.869 12.394 358 HB3 ALA 48 HB3 ALA 48 -1.301 7.259 11.540 359 H THR 49 H THR 49 0.912 4.772 10.254 360 HA THR 49 HA THR 49 1.216 6.420 7.782 361 HB THR 49 HB THR 49 3.643 6.794 8.716 362 HG1 THR 49 HG1 THR 49 3.573 5.694 10.625 363 HG21 THR 49 HG21 THR 49 1.139 8.273 9.445 364 HG22 THR 49 HG22 THR 49 2.388 8.704 8.277 365 HG23 THR 49 HG23 THR 49 2.711 8.842 10.005 366 H LYS 50 H LYS 50 0.824 3.514 8.307 367 HA LYS 50 HA LYS 50 1.995 1.483 8.001 368 HB2 LYS 50 HB2 LYS 50 2.736 1.488 5.499 369 HB3 LYS 50 HB3 LYS 50 1.037 1.709 5.897 370 HG2 LYS 50 HG2 LYS 50 2.609 4.184 5.701 371 HG3 LYS 50 HG3 LYS 50 2.422 3.280 4.197 372 HD2 LYS 50 HD2 LYS 50 0.315 3.965 3.987 373 HD3 LYS 50 HD3 LYS 50 -0.081 3.388 5.608 374 HE2 LYS 50 HE2 LYS 50 0.045 5.445 6.493 375 HE3 LYS 50 HE3 LYS 50 1.497 5.851 5.578 376 HZ1 LYS 50 HZ1 LYS 50 0.296 6.718 3.875 377 HZ2 LYS 50 HZ2 LYS 50 -0.793 7.034 5.130 378 HZ3 LYS 50 HZ3 LYS 50 -1.033 5.699 4.119 379 H THR 51 H THR 51 3.702 2.782 9.568 380 HA THR 51 HA THR 51 6.322 2.215 8.257 381 HB THR 51 HB THR 51 5.651 4.643 9.940 382 HG1 THR 51 HG1 THR 51 6.647 5.641 8.009 383 HG21 THR 51 HG21 THR 51 8.092 5.189 9.652 384 HG22 THR 51 HG22 THR 51 8.329 3.523 9.124 385 HG23 THR 51 HG23 THR 51 7.750 3.858 10.756 386 H PHE 52 H PHE 52 7.561 0.868 9.379 387 HA PHE 52 HA PHE 52 6.702 0.218 12.147 388 HB2 PHE 52 HB2 PHE 52 8.637 -1.216 10.299 389 HB3 PHE 52 HB3 PHE 52 8.097 -1.792 11.872 390 HD1 PHE 52 HD1 PHE 52 6.845 -0.839 8.508 391 HD2 PHE 52 HD2 PHE 52 6.199 -3.115 12.046 392 HE1 PHE 52 HE1 PHE 52 4.934 -1.958 7.435 393 HE2 PHE 52 HE2 PHE 52 4.288 -4.238 10.979 394 HZ PHE 52 HZ PHE 52 3.653 -3.661 8.670 395 H THR 53 H THR 53 8.549 -0.440 13.659 396 HA THR 53 HA THR 53 10.943 1.273 13.284 397 HB THR 53 HB THR 53 9.821 1.420 16.010 398 HG1 THR 53 HG1 THR 53 7.883 1.790 15.031 399 HG21 THR 53 HG21 THR 53 11.583 2.837 15.852 400 HG22 THR 53 HG22 THR 53 10.353 3.949 15.251 401 HG23 THR 53 HG23 THR 53 11.377 3.069 14.117 402 H VAL 54 H VAL 54 12.693 0.122 13.710 403 HA VAL 54 HA VAL 54 12.401 -2.184 15.593 404 HB VAL 54 HB VAL 54 13.008 -2.911 13.367 405 HG11 VAL 54 HG11 VAL 54 14.277 -1.713 11.994 406 HG12 VAL 54 HG12 VAL 54 14.450 -0.502 13.266 407 HG13 VAL 54 HG13 VAL 54 15.637 -1.798 13.113 408 HG21 VAL 54 HG21 VAL 54 14.100 -3.905 15.443 409 HG22 VAL 54 HG22 VAL 54 14.876 -4.240 13.896 410 HG23 VAL 54 HG23 VAL 54 15.547 -3.014 14.972 411 H THR 55 H THR 55 13.352 -2.020 17.496 412 HA THR 55 HA THR 55 15.638 -0.102 17.734 413 HB THR 55 HB THR 55 14.406 -0.883 20.262 414 HG1 THR 55 HG1 THR 55 12.449 0.263 19.891 415 HG21 THR 55 HG21 THR 55 14.694 1.823 18.954 416 HG22 THR 55 HG22 THR 55 15.972 1.019 19.866 417 HG23 THR 55 HG23 THR 55 14.474 1.487 20.671 418 H GLU 56 H GLU 56 17.542 -0.775 18.545 419 HA GLU 56 HA GLU 56 17.647 -3.632 19.436 420 HB2 GLU 56 HB2 GLU 56 18.872 -2.635 17.246 421 HB3 GLU 56 HB3 GLU 56 20.113 -2.299 18.445 422 HG2 GLU 56 HG2 GLU 56 19.726 -4.792 19.115 423 HG3 GLU 56 HG3 GLU 56 19.062 -4.914 17.487 Start of MODEL 28 1 H1 MET 1 H MET 1 -0.124 0.280 0.895 2 HA MET 1 HA MET 1 1.030 -0.452 -0.952 3 HB2 MET 1 HB2 MET 1 0.367 2.297 -1.121 4 HB3 MET 1 HB3 MET 1 1.947 2.103 -1.869 5 HG2 MET 1 HG2 MET 1 1.138 0.650 -3.494 6 HG3 MET 1 HG3 MET 1 -0.324 0.291 -2.577 7 HE1 MET 1 HE1 MET 1 -2.237 0.728 -3.558 8 HE2 MET 1 HE2 MET 1 -2.760 2.130 -4.491 9 HE3 MET 1 HE3 MET 1 -1.710 0.920 -5.230 10 H GLN 2 H GLN 2 2.776 1.737 1.156 11 HA GLN 2 HA GLN 2 5.249 0.228 0.544 12 HB2 GLN 2 HB2 GLN 2 4.895 3.197 0.168 13 HB3 GLN 2 HB3 GLN 2 6.470 2.519 0.563 14 HG2 GLN 2 HG2 GLN 2 6.502 1.231 -1.439 15 HG3 GLN 2 HG3 GLN 2 4.823 1.637 -1.792 16 HE21 GLN 2 HE21 GLN 2 5.846 2.259 -3.863 17 HE22 GLN 2 HE22 GLN 2 6.457 3.868 -4.012 18 H TYR 3 H TYR 3 6.167 -0.386 2.372 19 HA TYR 3 HA TYR 3 5.368 1.006 4.865 20 HB2 TYR 3 HB2 TYR 3 6.843 -1.604 4.407 21 HB3 TYR 3 HB3 TYR 3 6.404 -0.959 5.984 22 HD1 TYR 3 HD2 TYR 3 3.861 -0.468 6.338 23 HD2 TYR 3 HD1 TYR 3 5.392 -3.057 3.329 24 HE1 TYR 3 HE2 TYR 3 1.671 -1.578 6.187 25 HE2 TYR 3 HE1 TYR 3 3.206 -4.173 3.168 26 HH TYR 3 HH TYR 3 0.601 -3.219 3.825 27 H LYS 4 H LYS 4 6.812 1.846 6.356 28 HA LYS 4 HA LYS 4 9.506 2.429 5.205 29 HB2 LYS 4 HB2 LYS 4 7.731 4.255 5.911 30 HB3 LYS 4 HB3 LYS 4 8.353 3.939 7.525 31 HG2 LYS 4 HG2 LYS 4 9.485 5.829 6.517 32 HG3 LYS 4 HG3 LYS 4 10.609 4.491 6.767 33 HD2 LYS 4 HD2 LYS 4 11.020 4.293 4.575 34 HD3 LYS 4 HD3 LYS 4 9.310 4.418 4.158 35 HE2 LYS 4 HE2 LYS 4 9.382 6.745 4.058 36 HE3 LYS 4 HE3 LYS 4 10.867 6.834 5.003 37 HZ1 LYS 4 HZ1 LYS 4 11.924 5.640 3.038 38 HZ2 LYS 4 HZ2 LYS 4 11.526 7.270 2.829 39 HZ3 LYS 4 HZ3 LYS 4 10.537 6.068 2.169 40 H LEU 5 H LEU 5 11.367 2.207 6.436 41 HA LEU 5 HA LEU 5 11.048 0.982 9.125 42 HB2 LEU 5 HB2 LEU 5 11.221 -0.921 7.684 43 HB3 LEU 5 HB3 LEU 5 12.577 -0.211 6.810 44 HG LEU 5 HG LEU 5 13.917 -0.400 8.924 45 HD11 LEU 5 HD11 LEU 5 11.448 -1.871 9.803 46 HD12 LEU 5 HD12 LEU 5 12.269 -0.532 10.605 47 HD13 LEU 5 HD13 LEU 5 13.027 -2.123 10.547 48 HD21 LEU 5 HD21 LEU 5 13.143 -3.170 8.408 49 HD22 LEU 5 HD22 LEU 5 14.694 -2.362 8.180 50 HD23 LEU 5 HD23 LEU 5 13.440 -2.229 6.946 51 H VAL 6 H VAL 6 12.342 1.918 10.548 52 HA VAL 6 HA VAL 6 14.772 3.308 9.482 53 HB VAL 6 HB VAL 6 13.096 4.029 11.903 54 HG11 VAL 6 HG11 VAL 6 15.093 4.833 12.596 55 HG12 VAL 6 HG12 VAL 6 15.764 4.881 10.964 56 HG13 VAL 6 HG13 VAL 6 14.677 6.159 11.510 57 HG21 VAL 6 HG21 VAL 6 12.173 4.513 9.577 58 HG22 VAL 6 HG22 VAL 6 12.294 5.876 10.690 59 HG23 VAL 6 HG23 VAL 6 13.496 5.669 9.417 60 H ILE 7 H ILE 7 16.558 2.229 9.952 61 HA ILE 7 HA ILE 7 16.615 0.553 12.397 62 HB ILE 7 HB ILE 7 18.606 0.799 10.128 63 HG12 ILE 7 HG12 ILE 7 17.060 -1.683 10.673 64 HG13 ILE 7 HG13 ILE 7 16.190 -0.339 9.942 65 HG21 ILE 7 HG21 ILE 7 19.609 -1.240 11.109 66 HG22 ILE 7 HG22 ILE 7 19.743 0.173 12.155 67 HG23 ILE 7 HG23 ILE 7 18.533 -1.065 12.495 68 HD11 ILE 7 HD11 ILE 7 18.407 -0.423 8.393 69 HD12 ILE 7 HD12 ILE 7 18.205 -2.127 8.801 70 HD13 ILE 7 HD13 ILE 7 16.891 -1.244 8.024 71 H ASN 8 H ASN 8 17.232 1.487 14.221 72 HA ASN 8 HA ASN 8 19.449 3.490 14.050 73 HB2 ASN 8 HB2 ASN 8 16.934 3.421 15.673 74 HB3 ASN 8 HB3 ASN 8 18.368 4.150 16.389 75 HD21 ASN 8 HD21 ASN 8 19.560 5.556 14.594 76 HD22 ASN 8 HD22 ASN 8 18.529 6.721 13.844 77 H GLY 9 H GLY 9 20.508 1.160 14.082 78 HA2 GLY 9 HA2 GLY 9 20.674 0.013 16.769 79 HA3 GLY 9 HA3 GLY 9 21.564 -0.505 15.345 80 H LYS 10 H LYS 10 22.272 0.162 18.251 81 HA LYS 10 HA LYS 10 23.812 2.488 18.417 82 HB2 LYS 10 HB2 LYS 10 23.329 0.814 20.247 83 HB3 LYS 10 HB3 LYS 10 24.611 -0.191 19.584 84 HG2 LYS 10 HG2 LYS 10 25.759 2.328 19.885 85 HG3 LYS 10 HG3 LYS 10 24.781 2.089 21.335 86 HD2 LYS 10 HD2 LYS 10 25.922 -0.309 21.241 87 HD3 LYS 10 HD3 LYS 10 27.165 0.598 20.376 88 HE2 LYS 10 HE2 LYS 10 26.068 1.566 22.994 89 HE3 LYS 10 HE3 LYS 10 27.364 0.371 22.933 90 HZ1 LYS 10 HZ1 LYS 10 27.918 2.557 21.210 91 HZ2 LYS 10 HZ2 LYS 10 28.833 1.954 22.498 92 HZ3 LYS 10 HZ3 LYS 10 27.628 3.106 22.784 93 H THR 11 H THR 11 24.431 -0.442 16.633 94 HA THR 11 HA THR 11 27.149 0.610 15.951 95 HB THR 11 HB THR 11 27.719 -1.708 15.288 96 HG1 THR 11 HG1 THR 11 25.445 -2.674 16.624 97 HG21 THR 11 HG21 THR 11 28.522 -1.903 17.356 98 HG22 THR 11 HG22 THR 11 26.939 -2.422 17.933 99 HG23 THR 11 HG23 THR 11 27.354 -0.709 17.919 100 H LEU 12 H LEU 12 24.269 -1.072 14.653 101 HA LEU 12 HA LEU 12 25.108 -0.188 11.929 102 HB2 LEU 12 HB2 LEU 12 24.757 -2.502 11.915 103 HB3 LEU 12 HB3 LEU 12 23.330 -2.388 12.943 104 HG LEU 12 HG LEU 12 21.994 -1.600 11.136 105 HD11 LEU 12 HD11 LEU 12 23.461 -1.650 8.831 106 HD12 LEU 12 HD12 LEU 12 24.586 -0.919 9.976 107 HD13 LEU 12 HD13 LEU 12 22.998 -0.197 9.716 108 HD21 LEU 12 HD21 LEU 12 23.322 -3.562 9.479 109 HD22 LEU 12 HD22 LEU 12 21.752 -3.639 10.280 110 HD23 LEU 12 HD23 LEU 12 23.213 -4.096 11.157 111 H LYS 13 H LYS 13 24.137 1.492 11.041 112 HA LYS 13 HA LYS 13 21.323 2.063 11.861 113 HB2 LYS 13 HB2 LYS 13 23.664 3.694 12.311 114 HB3 LYS 13 HB3 LYS 13 22.549 4.530 11.238 115 HG2 LYS 13 HG2 LYS 13 20.841 4.544 12.829 116 HG3 LYS 13 HG3 LYS 13 21.614 3.289 13.800 117 HD2 LYS 13 HD2 LYS 13 23.438 5.444 13.592 118 HD3 LYS 13 HD3 LYS 13 21.863 6.125 14.007 119 HE2 LYS 13 HE2 LYS 13 21.852 4.106 15.719 120 HE3 LYS 13 HE3 LYS 13 23.599 4.258 15.540 121 HZ1 LYS 13 HZ1 LYS 13 22.422 6.805 15.900 122 HZ2 LYS 13 HZ2 LYS 13 23.590 6.029 16.846 123 HZ3 LYS 13 HZ3 LYS 13 21.946 5.773 17.153 124 H GLY 14 H GLY 14 19.943 2.647 10.260 125 HA2 GLY 14 HA2 GLY 14 20.714 3.791 7.781 126 HA3 GLY 14 HA3 GLY 14 20.663 2.046 7.574 127 H GLU 15 H GLU 15 18.987 2.589 5.975 128 HA GLU 15 HA GLU 15 16.356 2.447 7.302 129 HB2 GLU 15 HB2 GLU 15 17.127 4.918 6.622 130 HB3 GLU 15 HB3 GLU 15 16.528 4.399 5.053 131 HG2 GLU 15 HG2 GLU 15 14.352 4.013 5.915 132 HG3 GLU 15 HG3 GLU 15 14.908 4.210 7.576 133 H THR 16 H THR 16 14.582 2.127 5.612 134 HA THR 16 HA THR 16 15.169 1.281 2.978 135 HB THR 16 HB THR 16 16.474 -0.532 3.801 136 HG1 THR 16 HG1 THR 16 15.264 -1.421 2.241 137 HG21 THR 16 HG21 THR 16 14.470 -0.579 5.938 138 HG22 THR 16 HG22 THR 16 16.168 -1.057 5.965 139 HG23 THR 16 HG23 THR 16 14.946 -2.177 5.365 140 H THR 17 H THR 17 13.376 0.113 1.949 141 HA THR 17 HA THR 17 10.872 0.190 3.568 142 HB THR 17 HB THR 17 9.670 1.220 1.665 143 HG1 THR 17 HG1 THR 17 12.166 1.951 0.558 144 HG21 THR 17 HG21 THR 17 11.763 3.232 2.088 145 HG22 THR 17 HG22 THR 17 11.168 2.480 3.569 146 HG23 THR 17 HG23 THR 17 10.044 3.286 2.475 147 H THR 18 H THR 18 9.071 -0.987 2.578 148 HA THR 18 HA THR 18 9.755 -2.855 0.415 149 HB THR 18 HB THR 18 10.616 -3.893 2.586 150 HG1 THR 18 HG1 THR 18 10.370 -5.580 1.345 151 HG21 THR 18 HG21 THR 18 7.852 -4.764 3.194 152 HG22 THR 18 HG22 THR 18 8.288 -3.124 3.677 153 HG23 THR 18 HG23 THR 18 9.220 -4.497 4.273 154 H LYS 19 H LYS 19 7.978 -3.756 -0.586 155 HA LYS 19 HA LYS 19 5.380 -2.603 0.313 156 HB2 LYS 19 HB2 LYS 19 4.659 -2.716 -1.923 157 HB3 LYS 19 HB3 LYS 19 6.336 -2.199 -2.037 158 HG2 LYS 19 HG2 LYS 19 6.667 -4.857 -2.216 159 HG3 LYS 19 HG3 LYS 19 5.057 -4.700 -2.922 160 HD2 LYS 19 HD2 LYS 19 6.331 -4.396 -4.796 161 HD3 LYS 19 HD3 LYS 19 6.216 -2.724 -4.242 162 HE2 LYS 19 HE2 LYS 19 8.424 -2.611 -4.031 163 HE3 LYS 19 HE3 LYS 19 8.418 -3.995 -2.939 164 HZ1 LYS 19 HZ1 LYS 19 8.123 -4.625 -5.753 165 HZ2 LYS 19 HZ2 LYS 19 9.053 -5.388 -4.564 166 HZ3 LYS 19 HZ3 LYS 19 9.626 -3.984 -5.313 167 H ALA 20 H ALA 20 3.672 -3.833 0.864 168 HA ALA 20 HA ALA 20 3.657 -6.700 0.206 169 HB1 ALA 20 HB1 ALA 20 4.641 -7.320 2.114 170 HB2 ALA 20 HB2 ALA 20 4.484 -5.714 2.828 171 HB3 ALA 20 HB3 ALA 20 3.136 -6.849 2.905 172 H VAL 21 H VAL 21 1.633 -7.647 0.343 173 HA VAL 21 HA VAL 21 -0.598 -6.029 -0.088 174 HB VAL 21 HB VAL 21 -0.692 -8.764 1.207 175 HG11 VAL 21 HG11 VAL 21 -2.808 -7.415 1.077 176 HG12 VAL 21 HG12 VAL 21 -2.657 -7.481 -0.680 177 HG13 VAL 21 HG13 VAL 21 -2.857 -8.970 0.246 178 HG21 VAL 21 HG21 VAL 21 0.030 -7.902 -1.532 179 HG22 VAL 21 HG22 VAL 21 0.552 -9.314 -0.612 180 HG23 VAL 21 HG23 VAL 21 -1.033 -9.302 -1.386 181 H ASP 22 H ASP 22 0.640 -7.334 2.978 182 HA ASP 22 HA ASP 22 -0.993 -5.316 4.397 183 HB2 ASP 22 HB2 ASP 22 -1.602 -7.162 6.099 184 HB3 ASP 22 HB3 ASP 22 -2.515 -7.097 4.594 185 H ALA 23 H ALA 23 -0.515 -5.805 6.952 186 HA ALA 23 HA ALA 23 2.301 -5.196 7.198 187 HB1 ALA 23 HB1 ALA 23 -0.021 -4.927 8.781 188 HB2 ALA 23 HB2 ALA 23 1.126 -5.884 9.720 189 HB3 ALA 23 HB3 ALA 23 1.596 -4.300 9.104 190 H GLU 24 H GLU 24 0.268 -8.000 8.094 191 HA GLU 24 HA GLU 24 2.162 -9.541 9.432 192 HB2 GLU 24 HB2 GLU 24 0.905 -11.521 8.568 193 HB3 GLU 24 HB3 GLU 24 -0.124 -10.269 9.248 194 HG2 GLU 24 HG2 GLU 24 -0.777 -9.528 7.075 195 HG3 GLU 24 HG3 GLU 24 0.402 -10.587 6.305 196 H THR 25 H THR 25 1.833 -8.960 5.965 197 HA THR 25 HA THR 25 3.753 -11.003 5.208 198 HB THR 25 HB THR 25 2.656 -8.613 3.699 199 HG1 THR 25 HG1 THR 25 2.123 -11.405 3.456 200 HG21 THR 25 HG21 THR 25 3.567 -9.714 1.682 201 HG22 THR 25 HG22 THR 25 4.383 -10.888 2.715 202 HG23 THR 25 HG23 THR 25 4.832 -9.184 2.789 203 H ALA 26 H ALA 26 3.863 -7.430 5.481 204 HA ALA 26 HA ALA 26 6.590 -7.156 4.724 205 HB1 ALA 26 HB1 ALA 26 5.019 -5.284 4.826 206 HB2 ALA 26 HB2 ALA 26 4.960 -5.415 6.584 207 HB3 ALA 26 HB3 ALA 26 6.463 -4.957 5.784 208 H GLU 27 H GLU 27 5.055 -7.902 7.823 209 HA GLU 27 HA GLU 27 7.326 -7.465 9.482 210 HB2 GLU 27 HB2 GLU 27 4.701 -8.653 9.715 211 HB3 GLU 27 HB3 GLU 27 5.887 -9.643 10.554 212 HG2 GLU 27 HG2 GLU 27 6.549 -7.826 11.933 213 HG3 GLU 27 HG3 GLU 27 5.615 -6.680 10.974 214 H LYS 28 H LYS 28 6.433 -10.100 7.348 215 HA LYS 28 HA LYS 28 8.345 -11.984 8.465 216 HB2 LYS 28 HB2 LYS 28 6.346 -12.721 7.236 217 HB3 LYS 28 HB3 LYS 28 6.942 -11.944 5.776 218 HG2 LYS 28 HG2 LYS 28 9.017 -13.489 6.160 219 HG3 LYS 28 HG3 LYS 28 7.872 -14.435 7.114 220 HD2 LYS 28 HD2 LYS 28 7.697 -15.374 4.993 221 HD3 LYS 28 HD3 LYS 28 6.339 -14.247 5.045 222 HE2 LYS 28 HE2 LYS 28 7.162 -13.543 3.073 223 HE3 LYS 28 HE3 LYS 28 8.295 -12.643 4.080 224 HZ1 LYS 28 HZ1 LYS 28 8.751 -14.952 2.391 225 HZ2 LYS 28 HZ2 LYS 28 9.528 -15.001 3.892 226 HZ3 LYS 28 HZ3 LYS 28 9.809 -13.710 2.837 227 H ALA 29 H ALA 29 8.250 -9.885 5.566 228 HA ALA 29 HA ALA 29 10.871 -10.657 4.658 229 HB1 ALA 29 HB1 ALA 29 10.401 -8.114 3.651 230 HB2 ALA 29 HB2 ALA 29 9.971 -9.645 2.886 231 HB3 ALA 29 HB3 ALA 29 8.787 -8.789 3.874 232 H PHE 30 H PHE 30 9.642 -7.918 6.593 233 HA PHE 30 HA PHE 30 12.111 -6.522 6.782 234 HB2 PHE 30 HB2 PHE 30 9.555 -6.571 8.319 235 HB3 PHE 30 HB3 PHE 30 10.948 -5.825 9.095 236 HD1 PHE 30 HD2 PHE 30 12.324 -4.494 6.942 237 HD2 PHE 30 HD1 PHE 30 8.143 -4.892 7.633 238 HE1 PHE 30 HE2 PHE 30 11.920 -2.424 5.674 239 HE2 PHE 30 HE1 PHE 30 7.733 -2.823 6.366 240 HZ PHE 30 HZ PHE 30 9.623 -1.585 5.386 241 H LYS 31 H LYS 31 10.646 -9.009 8.886 242 HA LYS 31 HA LYS 31 12.509 -9.017 10.961 243 HB2 LYS 31 HB2 LYS 31 10.801 -11.116 9.688 244 HB3 LYS 31 HB3 LYS 31 12.018 -11.630 10.849 245 HG2 LYS 31 HG2 LYS 31 9.948 -9.528 11.433 246 HG3 LYS 31 HG3 LYS 31 9.737 -11.242 11.794 247 HD2 LYS 31 HD2 LYS 31 11.787 -11.157 13.183 248 HD3 LYS 31 HD3 LYS 31 11.884 -9.420 12.882 249 HE2 LYS 31 HE2 LYS 31 9.259 -9.950 13.759 250 HE3 LYS 31 HE3 LYS 31 10.338 -10.839 14.832 251 HZ1 LYS 31 HZ1 LYS 31 11.567 -8.784 15.219 252 HZ2 LYS 31 HZ2 LYS 31 9.943 -8.617 15.661 253 HZ3 LYS 31 HZ3 LYS 31 10.499 -7.938 14.215 254 H GLN 32 H GLN 32 12.756 -10.505 7.745 255 HA GLN 32 HA GLN 32 15.137 -11.988 8.230 256 HB2 GLN 32 HB2 GLN 32 13.472 -11.903 6.180 257 HB3 GLN 32 HB3 GLN 32 14.625 -10.730 5.559 258 HG2 GLN 32 HG2 GLN 32 15.957 -12.355 4.884 259 HG3 GLN 32 HG3 GLN 32 16.060 -12.986 6.527 260 HE21 GLN 32 HE21 GLN 32 16.114 -15.110 5.801 261 HE22 GLN 32 HE22 GLN 32 14.712 -15.906 5.179 262 H TYR 33 H TYR 33 14.649 -8.693 6.915 263 HA TYR 33 HA TYR 33 17.339 -8.073 6.400 264 HB2 TYR 33 HB2 TYR 33 15.153 -6.713 5.989 265 HB3 TYR 33 HB3 TYR 33 15.466 -6.031 7.581 266 HD1 TYR 33 HD1 TYR 33 16.838 -6.396 4.165 267 HD2 TYR 33 HD2 TYR 33 17.128 -4.369 7.894 268 HE1 TYR 33 HE1 TYR 33 18.390 -4.776 3.156 269 HE2 TYR 33 HE2 TYR 33 18.680 -2.743 6.896 270 HH TYR 33 HH TYR 33 19.225 -1.863 4.640 271 H ALA 34 H ALA 34 15.563 -8.120 9.450 272 HA ALA 34 HA ALA 34 17.612 -6.748 10.966 273 HB1 ALA 34 HB1 ALA 34 15.000 -7.749 11.425 274 HB2 ALA 34 HB2 ALA 34 16.063 -8.476 12.631 275 HB3 ALA 34 HB3 ALA 34 15.980 -6.722 12.471 276 H ASN 35 H ASN 35 16.647 -10.197 10.689 277 HA ASN 35 HA ASN 35 18.723 -11.194 12.361 278 HB2 ASN 35 HB2 ASN 35 16.911 -12.345 10.280 279 HB3 ASN 35 HB3 ASN 35 18.302 -13.304 10.778 280 HD21 ASN 35 HD21 ASN 35 16.702 -14.804 11.563 281 HD22 ASN 35 HD22 ASN 35 15.991 -14.556 13.119 282 H ASP 36 H ASP 36 18.530 -10.945 8.788 283 HA ASP 36 HA ASP 36 21.051 -12.023 8.191 284 HB2 ASP 36 HB2 ASP 36 19.221 -10.075 6.862 285 HB3 ASP 36 HB3 ASP 36 20.868 -10.189 6.248 286 H ASN 37 H ASN 37 20.174 -8.754 9.248 287 HA ASN 37 HA ASN 37 22.958 -7.836 8.952 288 HB2 ASN 37 HB2 ASN 37 20.334 -6.585 9.651 289 HB3 ASN 37 HB3 ASN 37 21.799 -5.798 10.232 290 HD21 ASN 37 HD21 ASN 37 19.737 -6.313 7.598 291 HD22 ASN 37 HD22 ASN 37 20.660 -5.475 6.401 292 H GLY 38 H GLY 38 21.114 -9.511 11.249 293 HA2 GLY 38 HA2 GLY 38 21.826 -10.287 13.332 294 HA3 GLY 38 HA3 GLY 38 23.288 -9.324 13.181 295 H VAL 39 H VAL 39 20.491 -7.503 12.595 296 HA VAL 39 HA VAL 39 20.741 -6.319 15.320 297 HB VAL 39 HB VAL 39 19.638 -5.192 12.738 298 HG11 VAL 39 HG11 VAL 39 18.218 -4.214 14.272 299 HG12 VAL 39 HG12 VAL 39 19.432 -4.214 15.554 300 HG13 VAL 39 HG13 VAL 39 19.549 -3.058 14.226 301 HG21 VAL 39 HG21 VAL 39 21.462 -3.543 13.052 302 HG22 VAL 39 HG22 VAL 39 22.023 -4.475 14.440 303 HG23 VAL 39 HG23 VAL 39 22.047 -5.191 12.829 304 H ASP 40 H ASP 40 19.323 -7.082 16.735 305 HA ASP 40 HA ASP 40 16.473 -7.195 15.876 306 HB2 ASP 40 HB2 ASP 40 17.402 -9.500 15.813 307 HB3 ASP 40 HB3 ASP 40 17.852 -9.350 17.509 308 H GLY 41 H GLY 41 14.945 -7.203 17.701 309 HA2 GLY 41 HA2 GLY 41 15.511 -6.847 20.372 310 HA3 GLY 41 HA3 GLY 41 15.833 -5.261 19.686 311 H VAL 42 H VAL 42 14.220 -3.895 19.967 312 HA VAL 42 HA VAL 42 11.469 -5.008 20.149 313 HB VAL 42 HB VAL 42 12.558 -2.270 20.849 314 HG11 VAL 42 HG11 VAL 42 10.172 -2.292 22.025 315 HG12 VAL 42 HG12 VAL 42 10.408 -1.696 20.380 316 HG13 VAL 42 HG13 VAL 42 9.797 -3.329 20.649 317 HG21 VAL 42 HG21 VAL 42 13.009 -3.109 22.855 318 HG22 VAL 42 HG22 VAL 42 11.351 -3.688 23.019 319 HG23 VAL 42 HG23 VAL 42 12.571 -4.711 22.260 320 H TRP 43 H TRP 43 9.908 -4.623 18.698 321 HA TRP 43 HA TRP 43 10.562 -2.692 16.508 322 HB2 TRP 43 HB2 TRP 43 9.438 -5.484 16.371 323 HB3 TRP 43 HB3 TRP 43 9.080 -4.313 15.105 324 HD1 TRP 43 HD1 TRP 43 12.254 -5.746 16.835 325 HE1 TRP 43 HE1 TRP 43 14.087 -5.980 15.043 326 HE3 TRP 43 HE3 TRP 43 9.727 -3.813 12.833 327 HZ2 TRP 43 HZ2 TRP 43 14.417 -5.419 12.296 328 HZ3 TRP 43 HZ3 TRP 43 10.873 -3.697 10.659 329 HH2 TRP 43 HH2 TRP 43 13.170 -4.483 10.398 330 H THR 44 H THR 44 8.710 -1.772 15.391 331 HA THR 44 HA THR 44 6.187 -1.874 16.971 332 HB THR 44 HB THR 44 5.991 0.614 16.784 333 HG1 THR 44 HG1 THR 44 7.685 1.802 16.087 334 HG21 THR 44 HG21 THR 44 6.934 0.902 18.825 335 HG22 THR 44 HG22 THR 44 8.490 0.246 18.316 336 HG23 THR 44 HG23 THR 44 7.164 -0.843 18.725 337 H TYR 45 H TYR 45 4.307 -1.217 15.837 338 HA TYR 45 HA TYR 45 4.674 -0.817 12.910 339 HB2 TYR 45 HB2 TYR 45 4.283 -3.141 12.961 340 HB3 TYR 45 HB3 TYR 45 3.097 -3.011 14.255 341 HD1 TYR 45 HD1 TYR 45 3.351 -1.145 11.035 342 HD2 TYR 45 HD2 TYR 45 1.124 -3.892 13.401 343 HE1 TYR 45 HE1 TYR 45 1.543 -1.106 9.368 344 HE2 TYR 45 HE2 TYR 45 -0.689 -3.862 11.739 345 HH TYR 45 HH TYR 45 -0.362 -2.110 8.694 346 H ASP 46 H ASP 46 3.449 0.759 12.132 347 HA ASP 46 HA ASP 46 0.961 1.452 13.633 348 HB2 ASP 46 HB2 ASP 46 3.004 2.993 14.058 349 HB3 ASP 46 HB3 ASP 46 2.731 3.570 12.416 350 H ASP 47 H ASP 47 -0.399 0.526 12.146 351 HA ASP 47 HA ASP 47 -0.166 0.648 9.351 352 HB2 ASP 47 HB2 ASP 47 -2.371 -0.110 9.271 353 HB3 ASP 47 HB3 ASP 47 -1.863 -0.610 10.882 354 H ALA 48 H ALA 48 -1.313 3.064 11.636 355 HA ALA 48 HA ALA 48 -2.765 4.774 9.986 356 HB1 ALA 48 HB1 ALA 48 -0.939 6.277 11.664 357 HB2 ALA 48 HB2 ALA 48 -2.691 6.102 11.774 358 HB3 ALA 48 HB3 ALA 48 -1.636 4.905 12.526 359 H THR 49 H THR 49 0.745 4.337 10.176 360 HA THR 49 HA THR 49 0.966 5.962 7.687 361 HB THR 49 HB THR 49 2.869 7.161 8.445 362 HG1 THR 49 HG1 THR 49 3.487 6.702 10.802 363 HG21 THR 49 HG21 THR 49 1.220 7.262 10.936 364 HG22 THR 49 HG22 THR 49 0.503 7.746 9.399 365 HG23 THR 49 HG23 THR 49 1.932 8.581 10.008 366 H LYS 50 H LYS 50 0.905 3.069 8.250 367 HA LYS 50 HA LYS 50 2.331 1.186 8.098 368 HB2 LYS 50 HB2 LYS 50 3.284 1.294 5.638 369 HB3 LYS 50 HB3 LYS 50 1.553 1.183 5.930 370 HG2 LYS 50 HG2 LYS 50 2.597 3.920 5.801 371 HG3 LYS 50 HG3 LYS 50 2.735 2.997 4.302 372 HD2 LYS 50 HD2 LYS 50 0.593 3.435 3.898 373 HD3 LYS 50 HD3 LYS 50 0.169 2.466 5.311 374 HE2 LYS 50 HE2 LYS 50 -0.205 4.284 6.611 375 HE3 LYS 50 HE3 LYS 50 1.062 5.233 5.836 376 HZ1 LYS 50 HZ1 LYS 50 -1.751 5.068 5.220 377 HZ2 LYS 50 HZ2 LYS 50 -0.747 4.978 3.863 378 HZ3 LYS 50 HZ3 LYS 50 -0.644 6.308 4.903 379 H THR 51 H THR 51 3.763 2.600 9.765 380 HA THR 51 HA THR 51 6.510 2.508 8.586 381 HB THR 51 HB THR 51 5.403 4.575 10.505 382 HG1 THR 51 HG1 THR 51 6.841 5.156 8.165 383 HG21 THR 51 HG21 THR 51 8.252 3.980 9.712 384 HG22 THR 51 HG22 THR 51 7.566 4.004 11.337 385 HG23 THR 51 HG23 THR 51 7.739 5.506 10.430 386 H PHE 52 H PHE 52 8.090 1.573 9.803 387 HA PHE 52 HA PHE 52 7.201 0.494 12.449 388 HB2 PHE 52 HB2 PHE 52 9.079 -0.812 10.456 389 HB3 PHE 52 HB3 PHE 52 8.581 -1.480 12.007 390 HD1 PHE 52 HD1 PHE 52 7.296 -0.414 8.697 391 HD2 PHE 52 HD2 PHE 52 6.644 -2.766 12.185 392 HE1 PHE 52 HE1 PHE 52 5.369 -1.489 7.608 393 HE2 PHE 52 HE2 PHE 52 4.717 -3.845 11.101 394 HZ PHE 52 HZ PHE 52 4.077 -3.207 8.809 395 H THR 53 H THR 53 8.964 0.007 13.971 396 HA THR 53 HA THR 53 11.374 1.703 13.511 397 HB THR 53 HB THR 53 10.042 1.689 16.209 398 HG1 THR 53 HG1 THR 53 8.622 2.476 14.385 399 HG21 THR 53 HG21 THR 53 12.314 2.964 14.953 400 HG22 THR 53 HG22 THR 53 11.874 2.884 16.658 401 HG23 THR 53 HG23 THR 53 11.208 4.155 15.634 402 H VAL 54 H VAL 54 13.049 0.371 13.602 403 HA VAL 54 HA VAL 54 12.925 -1.898 15.537 404 HB VAL 54 HB VAL 54 13.336 -2.664 13.308 405 HG11 VAL 54 HG11 VAL 54 14.985 -0.261 13.144 406 HG12 VAL 54 HG12 VAL 54 15.739 -1.686 12.425 407 HG13 VAL 54 HG13 VAL 54 14.151 -1.153 11.872 408 HG21 VAL 54 HG21 VAL 54 16.020 -2.612 14.674 409 HG22 VAL 54 HG22 VAL 54 14.683 -3.645 15.180 410 HG23 VAL 54 HG23 VAL 54 15.393 -3.844 13.578 411 H THR 55 H THR 55 14.299 -2.064 17.202 412 HA THR 55 HA THR 55 16.485 -0.022 17.342 413 HB THR 55 HB THR 55 15.601 -1.013 19.938 414 HG1 THR 55 HG1 THR 55 13.550 -0.271 19.921 415 HG21 THR 55 HG21 THR 55 15.503 1.816 18.933 416 HG22 THR 55 HG22 THR 55 17.036 1.023 19.298 417 HG23 THR 55 HG23 THR 55 15.827 1.232 20.565 418 H GLU 56 H GLU 56 17.827 -0.817 19.545 419 HA GLU 56 HA GLU 56 18.707 -3.577 18.793 420 HB2 GLU 56 HB2 GLU 56 20.173 -1.077 19.248 421 HB3 GLU 56 HB3 GLU 56 20.818 -2.432 20.163 422 HG2 GLU 56 HG2 GLU 56 20.240 -2.729 17.249 423 HG3 GLU 56 HG3 GLU 56 21.719 -1.939 17.790 Start of MODEL 29 1 H1 MET 1 H MET 1 -0.003 0.837 -0.082 2 HA MET 1 HA MET 1 1.278 -0.854 -1.716 3 HB2 MET 1 HB2 MET 1 1.802 2.116 -1.512 4 HB3 MET 1 HB3 MET 1 2.269 1.115 -2.881 5 HG2 MET 1 HG2 MET 1 -0.561 1.468 -1.927 6 HG3 MET 1 HG3 MET 1 0.181 2.404 -3.222 7 HE1 MET 1 HE1 MET 1 -0.634 0.989 -6.092 8 HE2 MET 1 HE2 MET 1 0.583 1.937 -5.238 9 HE3 MET 1 HE3 MET 1 1.003 0.358 -5.904 10 H GLN 2 H GLN 2 3.233 1.749 -0.246 11 HA GLN 2 HA GLN 2 5.425 -0.266 0.045 12 HB2 GLN 2 HB2 GLN 2 6.413 2.429 0.051 13 HB3 GLN 2 HB3 GLN 2 6.774 1.122 -1.068 14 HG2 GLN 2 HG2 GLN 2 4.728 1.717 -2.337 15 HG3 GLN 2 HG3 GLN 2 4.521 3.104 -1.268 16 HE21 GLN 2 HE21 GLN 2 7.343 1.671 -2.869 17 HE22 GLN 2 HE22 GLN 2 7.841 3.120 -3.666 18 H TYR 3 H TYR 3 6.521 -0.416 1.940 19 HA TYR 3 HA TYR 3 5.459 1.296 4.152 20 HB2 TYR 3 HB2 TYR 3 6.724 -1.455 4.337 21 HB3 TYR 3 HB3 TYR 3 6.002 -0.543 5.658 22 HD1 TYR 3 HD1 TYR 3 5.230 -2.236 2.448 23 HD2 TYR 3 HD2 TYR 3 3.693 -0.681 6.098 24 HE1 TYR 3 HE1 TYR 3 3.055 -3.279 1.969 25 HE2 TYR 3 HE2 TYR 3 1.514 -1.721 5.630 26 HH TYR 3 HH TYR 3 0.771 -3.128 2.560 27 H LYS 4 H LYS 4 6.949 1.793 5.918 28 HA LYS 4 HA LYS 4 9.725 2.147 4.859 29 HB2 LYS 4 HB2 LYS 4 7.983 4.114 5.588 30 HB3 LYS 4 HB3 LYS 4 8.826 3.848 7.108 31 HG2 LYS 4 HG2 LYS 4 9.880 5.618 5.832 32 HG3 LYS 4 HG3 LYS 4 10.965 4.235 5.993 33 HD2 LYS 4 HD2 LYS 4 10.869 3.728 3.773 34 HD3 LYS 4 HD3 LYS 4 9.216 4.324 3.598 35 HE2 LYS 4 HE2 LYS 4 10.809 5.731 2.389 36 HE3 LYS 4 HE3 LYS 4 10.022 6.621 3.692 37 HZ1 LYS 4 HZ1 LYS 4 11.958 6.955 4.712 38 HZ2 LYS 4 HZ2 LYS 4 12.697 6.479 3.267 39 HZ3 LYS 4 HZ3 LYS 4 12.464 5.353 4.508 40 H LEU 5 H LEU 5 11.484 2.013 6.348 41 HA LEU 5 HA LEU 5 10.841 0.678 8.927 42 HB2 LEU 5 HB2 LEU 5 11.316 -1.035 7.159 43 HB3 LEU 5 HB3 LEU 5 12.932 -0.349 7.002 44 HG LEU 5 HG LEU 5 13.316 -0.923 9.409 45 HD11 LEU 5 HD11 LEU 5 11.070 -1.066 10.215 46 HD12 LEU 5 HD12 LEU 5 11.807 -2.661 10.363 47 HD13 LEU 5 HD13 LEU 5 10.677 -2.331 9.050 48 HD21 LEU 5 HD21 LEU 5 13.328 -2.579 7.111 49 HD22 LEU 5 HD22 LEU 5 12.823 -3.567 8.483 50 HD23 LEU 5 HD23 LEU 5 14.349 -2.684 8.545 51 H VAL 6 H VAL 6 11.626 2.076 10.361 52 HA VAL 6 HA VAL 6 14.279 3.317 9.780 53 HB VAL 6 HB VAL 6 12.164 4.113 11.799 54 HG11 VAL 6 HG11 VAL 6 13.738 5.299 12.817 55 HG12 VAL 6 HG12 VAL 6 14.947 4.713 11.673 56 HG13 VAL 6 HG13 VAL 6 14.032 6.179 11.318 57 HG21 VAL 6 HG21 VAL 6 13.024 5.681 9.390 58 HG22 VAL 6 HG22 VAL 6 11.734 4.482 9.298 59 HG23 VAL 6 HG23 VAL 6 11.572 5.870 10.372 60 H ILE 7 H ILE 7 15.780 1.878 10.462 61 HA ILE 7 HA ILE 7 15.427 0.597 13.104 62 HB ILE 7 HB ILE 7 17.654 0.318 11.070 63 HG12 ILE 7 HG12 ILE 7 15.890 -1.965 11.615 64 HG13 ILE 7 HG13 ILE 7 15.070 -0.595 10.873 65 HG21 ILE 7 HG21 ILE 7 18.768 -0.505 12.832 66 HG22 ILE 7 HG22 ILE 7 17.307 -0.667 13.805 67 HG23 ILE 7 HG23 ILE 7 17.726 -1.913 12.629 68 HD11 ILE 7 HD11 ILE 7 15.791 -1.342 8.921 69 HD12 ILE 7 HD12 ILE 7 17.424 -0.901 9.421 70 HD13 ILE 7 HD13 ILE 7 16.829 -2.538 9.697 71 H ASN 8 H ASN 8 15.907 1.803 14.817 72 HA ASN 8 HA ASN 8 18.301 3.579 14.628 73 HB2 ASN 8 HB2 ASN 8 15.727 3.715 16.141 74 HB3 ASN 8 HB3 ASN 8 17.160 4.403 16.900 75 HD21 ASN 8 HD21 ASN 8 18.515 5.673 15.132 76 HD22 ASN 8 HD22 ASN 8 17.588 6.849 14.270 77 H GLY 9 H GLY 9 19.453 1.401 14.851 78 HA2 GLY 9 HA2 GLY 9 19.402 0.244 17.536 79 HA3 GLY 9 HA3 GLY 9 20.466 -0.209 16.212 80 H LYS 10 H LYS 10 21.858 -0.316 18.288 81 HA LYS 10 HA LYS 10 22.829 2.285 19.211 82 HB2 LYS 10 HB2 LYS 10 22.723 0.280 20.680 83 HB3 LYS 10 HB3 LYS 10 23.951 -0.493 19.686 84 HG2 LYS 10 HG2 LYS 10 25.048 0.371 21.593 85 HG3 LYS 10 HG3 LYS 10 25.469 1.426 20.242 86 HD2 LYS 10 HD2 LYS 10 23.349 2.761 21.095 87 HD3 LYS 10 HD3 LYS 10 23.753 1.958 22.615 88 HE2 LYS 10 HE2 LYS 10 24.866 4.058 22.616 89 HE3 LYS 10 HE3 LYS 10 26.092 2.823 22.336 90 HZ1 LYS 10 HZ1 LYS 10 25.804 3.318 19.905 91 HZ2 LYS 10 HZ2 LYS 10 26.522 4.549 20.817 92 HZ3 LYS 10 HZ3 LYS 10 24.899 4.675 20.356 93 H THR 11 H THR 11 23.763 -0.173 16.876 94 HA THR 11 HA THR 11 26.155 1.501 16.205 95 HB THR 11 HB THR 11 27.178 -0.521 15.257 96 HG1 THR 11 HG1 THR 11 25.962 -2.550 16.051 97 HG21 THR 11 HG21 THR 11 26.519 -1.648 17.856 98 HG22 THR 11 HG22 THR 11 26.881 0.076 17.942 99 HG23 THR 11 HG23 THR 11 28.057 -1.039 17.248 100 H LEU 12 H LEU 12 23.801 -0.801 14.762 101 HA LEU 12 HA LEU 12 24.250 0.330 12.105 102 HB2 LEU 12 HB2 LEU 12 23.687 -2.078 12.622 103 HB3 LEU 12 HB3 LEU 12 22.049 -1.538 12.985 104 HG LEU 12 HG LEU 12 21.728 -0.838 10.694 105 HD11 LEU 12 HD11 LEU 12 23.640 -0.064 9.762 106 HD12 LEU 12 HD12 LEU 12 23.707 -1.709 9.130 107 HD13 LEU 12 HD13 LEU 12 24.651 -1.272 10.555 108 HD21 LEU 12 HD21 LEU 12 22.371 -3.557 11.468 109 HD22 LEU 12 HD22 LEU 12 22.615 -3.283 9.743 110 HD23 LEU 12 HD23 LEU 12 21.046 -2.947 10.476 111 H LYS 13 H LYS 13 23.101 1.829 11.049 112 HA LYS 13 HA LYS 13 20.441 2.595 12.099 113 HB2 LYS 13 HB2 LYS 13 22.887 4.222 12.342 114 HB3 LYS 13 HB3 LYS 13 21.527 5.071 11.619 115 HG2 LYS 13 HG2 LYS 13 20.429 5.204 13.559 116 HG3 LYS 13 HG3 LYS 13 20.821 3.542 14.005 117 HD2 LYS 13 HD2 LYS 13 22.510 4.199 15.309 118 HD3 LYS 13 HD3 LYS 13 23.157 5.261 14.057 119 HE2 LYS 13 HE2 LYS 13 20.859 5.928 15.894 120 HE3 LYS 13 HE3 LYS 13 22.520 6.480 16.103 121 HZ1 LYS 13 HZ1 LYS 13 20.512 7.665 14.592 122 HZ2 LYS 13 HZ2 LYS 13 21.655 7.080 13.492 123 HZ3 LYS 13 HZ3 LYS 13 22.130 8.144 14.718 124 H GLY 14 H GLY 14 19.626 1.711 10.171 125 HA2 GLY 14 HA2 GLY 14 20.041 3.527 7.847 126 HA3 GLY 14 HA3 GLY 14 20.198 1.792 7.620 127 H GLU 15 H GLU 15 18.459 2.703 5.988 128 HA GLU 15 HA GLU 15 15.866 1.921 7.204 129 HB2 GLU 15 HB2 GLU 15 15.896 4.247 5.310 130 HB3 GLU 15 HB3 GLU 15 14.693 3.802 6.513 131 HG2 GLU 15 HG2 GLU 15 15.630 5.634 7.499 132 HG3 GLU 15 HG3 GLU 15 16.609 4.348 8.202 133 H THR 16 H THR 16 14.267 1.237 5.662 134 HA THR 16 HA THR 16 15.154 0.883 2.878 135 HB THR 16 HB THR 16 16.144 -1.060 4.142 136 HG1 THR 16 HG1 THR 16 15.483 -1.128 1.872 137 HG21 THR 16 HG21 THR 16 14.670 -2.833 4.908 138 HG22 THR 16 HG22 THR 16 13.254 -1.882 4.459 139 HG23 THR 16 HG23 THR 16 14.304 -1.337 5.767 140 H THR 17 H THR 17 13.417 -0.700 1.778 141 HA THR 17 HA THR 17 10.729 -0.072 2.887 142 HB THR 17 HB THR 17 9.921 0.688 0.694 143 HG1 THR 17 HG1 THR 17 12.553 0.999 -0.237 144 HG21 THR 17 HG21 THR 17 12.234 2.183 1.905 145 HG22 THR 17 HG22 THR 17 10.508 2.461 2.133 146 HG23 THR 17 HG23 THR 17 11.268 2.853 0.591 147 H THR 18 H THR 18 8.973 -1.205 1.636 148 HA THR 18 HA THR 18 9.852 -3.578 0.139 149 HB THR 18 HB THR 18 9.972 -4.161 2.632 150 HG1 THR 18 HG1 THR 18 9.620 -6.142 1.956 151 HG21 THR 18 HG21 THR 18 8.096 -4.288 3.928 152 HG22 THR 18 HG22 THR 18 7.030 -4.569 2.551 153 HG23 THR 18 HG23 THR 18 7.621 -2.943 2.892 154 H LYS 19 H LYS 19 7.771 -5.053 -0.191 155 HA LYS 19 HA LYS 19 5.382 -3.314 -0.515 156 HB2 LYS 19 HB2 LYS 19 6.957 -4.620 -2.704 157 HB3 LYS 19 HB3 LYS 19 5.207 -4.533 -2.862 158 HG2 LYS 19 HG2 LYS 19 5.274 -2.124 -2.679 159 HG3 LYS 19 HG3 LYS 19 7.017 -2.170 -2.406 160 HD2 LYS 19 HD2 LYS 19 6.512 -1.579 -4.718 161 HD3 LYS 19 HD3 LYS 19 7.338 -3.137 -4.633 162 HE2 LYS 19 HE2 LYS 19 4.366 -3.121 -4.604 163 HE3 LYS 19 HE3 LYS 19 5.181 -2.770 -6.127 164 HZ1 LYS 19 HZ1 LYS 19 6.284 -5.043 -4.779 165 HZ2 LYS 19 HZ2 LYS 19 5.748 -4.893 -6.376 166 HZ3 LYS 19 HZ3 LYS 19 4.644 -5.246 -5.143 167 H ALA 20 H ALA 20 4.208 -4.440 0.978 168 HA ALA 20 HA ALA 20 3.678 -7.298 0.263 169 HB1 ALA 20 HB1 ALA 20 4.399 -7.866 2.286 170 HB2 ALA 20 HB2 ALA 20 4.611 -6.177 2.747 171 HB3 ALA 20 HB3 ALA 20 3.050 -6.963 2.976 172 H VAL 21 H VAL 21 1.559 -8.074 0.567 173 HA VAL 21 HA VAL 21 -0.492 -6.279 -0.174 174 HB VAL 21 HB VAL 21 -0.894 -8.884 1.316 175 HG11 VAL 21 HG11 VAL 21 -3.024 -8.966 0.291 176 HG12 VAL 21 HG12 VAL 21 -2.856 -7.333 0.939 177 HG13 VAL 21 HG13 VAL 21 -2.639 -7.625 -0.787 178 HG21 VAL 21 HG21 VAL 21 0.578 -9.404 -0.462 179 HG22 VAL 21 HG22 VAL 21 -1.034 -9.853 -1.016 180 HG23 VAL 21 HG23 VAL 21 -0.291 -8.358 -1.585 181 H ASP 22 H ASP 22 0.662 -7.284 3.004 182 HA ASP 22 HA ASP 22 -0.881 -5.088 4.207 183 HB2 ASP 22 HB2 ASP 22 -1.988 -6.461 5.871 184 HB3 ASP 22 HB3 ASP 22 -2.438 -7.034 4.267 185 H ALA 23 H ALA 23 -0.352 -4.837 6.564 186 HA ALA 23 HA ALA 23 2.441 -4.682 6.909 187 HB1 ALA 23 HB1 ALA 23 1.274 -3.288 8.314 188 HB2 ALA 23 HB2 ALA 23 0.095 -4.524 8.754 189 HB3 ALA 23 HB3 ALA 23 1.722 -4.575 9.433 190 H GLU 24 H GLU 24 0.133 -7.183 7.977 191 HA GLU 24 HA GLU 24 1.830 -8.699 9.606 192 HB2 GLU 24 HB2 GLU 24 -0.459 -9.304 9.484 193 HB3 GLU 24 HB3 GLU 24 -0.401 -9.504 7.739 194 HG2 GLU 24 HG2 GLU 24 0.621 -11.559 7.868 195 HG3 GLU 24 HG3 GLU 24 1.286 -11.246 9.470 196 H THR 25 H THR 25 1.764 -8.402 6.111 197 HA THR 25 HA THR 25 3.613 -10.677 5.775 198 HB THR 25 HB THR 25 2.496 -8.713 3.752 199 HG1 THR 25 HG1 THR 25 1.463 -10.913 3.183 200 HG21 THR 25 HG21 THR 25 4.008 -11.288 3.297 201 HG22 THR 25 HG22 THR 25 4.673 -9.669 3.075 202 HG23 THR 25 HG23 THR 25 3.347 -10.226 2.055 203 H ALA 26 H ALA 26 3.601 -7.131 5.268 204 HA ALA 26 HA ALA 26 6.256 -6.883 4.349 205 HB1 ALA 26 HB1 ALA 26 5.674 -4.640 5.990 206 HB2 ALA 26 HB2 ALA 26 5.577 -4.772 4.233 207 HB3 ALA 26 HB3 ALA 26 4.169 -5.150 5.225 208 H GLU 27 H GLU 27 4.973 -6.935 7.680 209 HA GLU 27 HA GLU 27 7.303 -6.266 9.074 210 HB2 GLU 27 HB2 GLU 27 5.238 -6.546 10.251 211 HB3 GLU 27 HB3 GLU 27 5.101 -8.226 9.751 212 HG2 GLU 27 HG2 GLU 27 6.972 -8.840 11.135 213 HG3 GLU 27 HG3 GLU 27 7.252 -7.153 11.560 214 H LYS 28 H LYS 28 6.262 -9.490 7.925 215 HA LYS 28 HA LYS 28 8.335 -11.029 8.989 216 HB2 LYS 28 HB2 LYS 28 6.515 -12.083 7.843 217 HB3 LYS 28 HB3 LYS 28 6.890 -11.250 6.339 218 HG2 LYS 28 HG2 LYS 28 9.006 -12.503 6.203 219 HG3 LYS 28 HG3 LYS 28 8.557 -13.377 7.670 220 HD2 LYS 28 HD2 LYS 28 6.344 -13.787 6.204 221 HD3 LYS 28 HD3 LYS 28 7.534 -13.640 4.908 222 HE2 LYS 28 HE2 LYS 28 7.861 -15.832 5.276 223 HE3 LYS 28 HE3 LYS 28 8.842 -15.275 6.630 224 HZ1 LYS 28 HZ1 LYS 28 6.323 -15.321 7.642 225 HZ2 LYS 28 HZ2 LYS 28 7.497 -16.516 7.874 226 HZ3 LYS 28 HZ3 LYS 28 6.347 -16.688 6.645 227 H ALA 29 H ALA 29 8.319 -9.082 6.003 228 HA ALA 29 HA ALA 29 10.958 -9.902 5.179 229 HB1 ALA 29 HB1 ALA 29 9.864 -9.035 3.394 230 HB2 ALA 29 HB2 ALA 29 8.982 -7.850 4.359 231 HB3 ALA 29 HB3 ALA 29 10.664 -7.554 3.922 232 H PHE 30 H PHE 30 9.719 -6.907 6.726 233 HA PHE 30 HA PHE 30 12.219 -5.628 7.009 234 HB2 PHE 30 HB2 PHE 30 9.687 -5.488 8.660 235 HB3 PHE 30 HB3 PHE 30 11.078 -4.454 8.970 236 HD1 PHE 30 HD1 PHE 30 11.978 -3.797 6.269 237 HD2 PHE 30 HD2 PHE 30 8.037 -4.088 7.850 238 HE1 PHE 30 HE1 PHE 30 11.180 -2.213 4.563 239 HE2 PHE 30 HE2 PHE 30 7.233 -2.506 6.146 240 HZ PHE 30 HZ PHE 30 8.805 -1.566 4.500 241 H LYS 31 H LYS 31 10.664 -8.123 8.960 242 HA LYS 31 HA LYS 31 12.438 -7.909 11.213 243 HB2 LYS 31 HB2 LYS 31 10.755 -10.207 10.180 244 HB3 LYS 31 HB3 LYS 31 11.620 -10.236 11.711 245 HG2 LYS 31 HG2 LYS 31 9.976 -7.870 11.457 246 HG3 LYS 31 HG3 LYS 31 9.034 -9.353 11.283 247 HD2 LYS 31 HD2 LYS 31 10.759 -9.844 13.417 248 HD3 LYS 31 HD3 LYS 31 10.211 -8.182 13.650 249 HE2 LYS 31 HE2 LYS 31 8.375 -9.056 14.565 250 HE3 LYS 31 HE3 LYS 31 7.911 -9.530 12.931 251 HZ1 LYS 31 HZ1 LYS 31 8.236 -11.666 13.401 252 HZ2 LYS 31 HZ2 LYS 31 8.294 -11.215 15.030 253 HZ3 LYS 31 HZ3 LYS 31 9.727 -11.380 14.148 254 H GLN 32 H GLN 32 12.496 -9.809 8.208 255 HA GLN 32 HA GLN 32 14.611 -11.548 8.812 256 HB2 GLN 32 HB2 GLN 32 13.349 -11.765 6.767 257 HB3 GLN 32 HB3 GLN 32 13.893 -10.192 6.200 258 HG2 GLN 32 HG2 GLN 32 15.640 -11.118 5.222 259 HG3 GLN 32 HG3 GLN 32 16.177 -11.789 6.761 260 HE21 GLN 32 HE21 GLN 32 16.345 -12.924 4.090 261 HE22 GLN 32 HE22 GLN 32 15.506 -14.433 4.152 262 H TYR 33 H TYR 33 14.734 -8.206 7.557 263 HA TYR 33 HA TYR 33 17.588 -8.137 7.294 264 HB2 TYR 33 HB2 TYR 33 15.665 -6.517 6.440 265 HB3 TYR 33 HB3 TYR 33 16.042 -5.652 7.927 266 HD1 TYR 33 HD2 TYR 33 18.082 -7.359 5.292 267 HD2 TYR 33 HD1 TYR 33 17.374 -3.817 7.542 268 HE1 TYR 33 HE2 TYR 33 19.985 -6.274 4.172 269 HE2 TYR 33 HE1 TYR 33 19.274 -2.722 6.427 270 HH TYR 33 HH TYR 33 21.135 -3.107 5.157 271 H ALA 34 H ALA 34 15.477 -7.973 10.017 272 HA ALA 34 HA ALA 34 17.230 -6.453 11.746 273 HB1 ALA 34 HB1 ALA 34 15.469 -6.518 13.102 274 HB2 ALA 34 HB2 ALA 34 14.628 -7.469 11.877 275 HB3 ALA 34 HB3 ALA 34 15.508 -8.280 13.172 276 H ASN 35 H ASN 35 16.412 -9.953 11.606 277 HA ASN 35 HA ASN 35 18.390 -10.734 13.503 278 HB2 ASN 35 HB2 ASN 35 16.688 -12.091 11.477 279 HB3 ASN 35 HB3 ASN 35 18.118 -12.972 12.009 280 HD21 ASN 35 HD21 ASN 35 16.494 -14.471 12.831 281 HD22 ASN 35 HD22 ASN 35 15.817 -14.187 14.395 282 H ASP 36 H ASP 36 18.451 -10.557 9.939 283 HA ASP 36 HA ASP 36 20.972 -11.726 9.509 284 HB2 ASP 36 HB2 ASP 36 19.071 -10.346 7.978 285 HB3 ASP 36 HB3 ASP 36 20.559 -9.422 7.785 286 H ASN 37 H ASN 37 20.121 -8.491 10.632 287 HA ASN 37 HA ASN 37 23.009 -7.761 10.631 288 HB2 ASN 37 HB2 ASN 37 20.446 -6.212 10.647 289 HB3 ASN 37 HB3 ASN 37 21.864 -5.486 11.398 290 HD21 ASN 37 HD21 ASN 37 23.906 -5.798 9.964 291 HD22 ASN 37 HD22 ASN 37 23.696 -5.356 8.307 292 H GLY 38 H GLY 38 21.052 -9.407 12.577 293 HA2 GLY 38 HA2 GLY 38 21.093 -9.839 14.849 294 HA3 GLY 38 HA3 GLY 38 22.630 -8.990 14.905 295 H VAL 39 H VAL 39 20.031 -7.155 13.646 296 HA VAL 39 HA VAL 39 20.015 -5.562 16.153 297 HB VAL 39 HB VAL 39 18.978 -4.929 13.379 298 HG11 VAL 39 HG11 VAL 39 19.080 -2.553 14.683 299 HG12 VAL 39 HG12 VAL 39 17.618 -3.523 14.490 300 HG13 VAL 39 HG13 VAL 39 18.558 -3.629 15.979 301 HG21 VAL 39 HG21 VAL 39 20.997 -4.111 12.933 302 HG22 VAL 39 HG22 VAL 39 21.008 -3.175 14.428 303 HG23 VAL 39 HG23 VAL 39 21.566 -4.848 14.431 304 H ASP 40 H ASP 40 18.569 -6.255 17.595 305 HA ASP 40 HA ASP 40 15.760 -6.531 16.632 306 HB2 ASP 40 HB2 ASP 40 16.830 -8.791 16.981 307 HB3 ASP 40 HB3 ASP 40 17.016 -8.375 18.683 308 H GLY 41 H GLY 41 14.133 -6.182 18.268 309 HA2 GLY 41 HA2 GLY 41 14.614 -5.449 20.924 310 HA3 GLY 41 HA3 GLY 41 14.845 -3.980 19.987 311 H VAL 42 H VAL 42 13.121 -2.761 20.466 312 HA VAL 42 HA VAL 42 10.453 -4.046 20.506 313 HB VAL 42 HB VAL 42 9.641 -1.883 21.323 314 HG11 VAL 42 HG11 VAL 42 11.733 -1.904 23.208 315 HG12 VAL 42 HG12 VAL 42 10.164 -2.705 23.318 316 HG13 VAL 42 HG13 VAL 42 11.547 -3.562 22.636 317 HG21 VAL 42 HG21 VAL 42 11.038 -0.347 20.140 318 HG22 VAL 42 HG22 VAL 42 11.308 -0.099 21.864 319 HG23 VAL 42 HG23 VAL 42 12.489 -0.992 20.907 320 H TRP 43 H TRP 43 8.975 -3.884 18.945 321 HA TRP 43 HA TRP 43 9.708 -2.212 16.588 322 HB2 TRP 43 HB2 TRP 43 7.933 -4.640 16.913 323 HB3 TRP 43 HB3 TRP 43 7.932 -3.658 15.451 324 HD1 TRP 43 HD1 TRP 43 10.647 -5.447 17.594 325 HE1 TRP 43 HE1 TRP 43 12.329 -6.534 15.977 326 HE3 TRP 43 HE3 TRP 43 8.599 -3.939 13.159 327 HZ2 TRP 43 HZ2 TRP 43 12.734 -6.726 13.190 328 HZ3 TRP 43 HZ3 TRP 43 9.696 -4.617 11.063 329 HH2 TRP 43 HH2 TRP 43 11.721 -5.981 11.080 330 H THR 44 H THR 44 8.166 -0.905 15.542 331 HA THR 44 HA THR 44 5.655 -0.402 17.053 332 HB THR 44 HB THR 44 6.528 2.146 16.259 333 HG1 THR 44 HG1 THR 44 8.557 1.101 17.904 334 HG21 THR 44 HG21 THR 44 5.334 1.053 18.405 335 HG22 THR 44 HG22 THR 44 6.010 2.682 18.403 336 HG23 THR 44 HG23 THR 44 6.939 1.343 19.075 337 H TYR 45 H TYR 45 4.130 -0.791 15.592 338 HA TYR 45 HA TYR 45 4.613 0.144 12.799 339 HB2 TYR 45 HB2 TYR 45 4.093 -2.126 12.677 340 HB3 TYR 45 HB3 TYR 45 2.936 -2.044 14.000 341 HD1 TYR 45 HD1 TYR 45 3.218 -0.082 10.834 342 HD2 TYR 45 HD2 TYR 45 0.882 -2.741 13.195 343 HE1 TYR 45 HE1 TYR 45 1.381 0.097 9.208 344 HE2 TYR 45 HE2 TYR 45 -0.961 -2.570 11.575 345 HH TYR 45 HH TYR 45 -1.769 -1.230 9.842 346 H ASP 46 H ASP 46 3.549 1.832 12.030 347 HA ASP 46 HA ASP 46 1.103 2.703 13.520 348 HB2 ASP 46 HB2 ASP 46 3.230 4.170 13.619 349 HB3 ASP 46 HB3 ASP 46 2.879 4.561 11.937 350 H ASP 47 H ASP 47 -0.356 1.598 12.227 351 HA ASP 47 HA ASP 47 -0.395 1.366 9.466 352 HB2 ASP 47 HB2 ASP 47 -2.665 0.855 9.649 353 HB3 ASP 47 HB3 ASP 47 -2.076 0.541 11.279 354 H ALA 48 H ALA 48 -1.087 4.210 11.411 355 HA ALA 48 HA ALA 48 -2.492 5.797 9.587 356 HB1 ALA 48 HB1 ALA 48 -0.286 7.022 11.191 357 HB2 ALA 48 HB2 ALA 48 -1.932 7.593 10.913 358 HB3 ALA 48 HB3 ALA 48 -1.639 6.253 12.021 359 H THR 49 H THR 49 1.005 5.164 9.774 360 HA THR 49 HA THR 49 1.229 6.301 7.024 361 HB THR 49 HB THR 49 3.227 7.477 7.513 362 HG1 THR 49 HG1 THR 49 3.171 6.500 10.185 363 HG21 THR 49 HG21 THR 49 1.925 8.222 10.045 364 HG22 THR 49 HG22 THR 49 0.866 8.216 8.634 365 HG23 THR 49 HG23 THR 49 2.322 9.210 8.640 366 H LYS 50 H LYS 50 1.004 3.554 8.097 367 HA LYS 50 HA LYS 50 2.247 1.560 8.179 368 HB2 LYS 50 HB2 LYS 50 3.238 1.253 5.744 369 HB3 LYS 50 HB3 LYS 50 1.501 1.303 6.019 370 HG2 LYS 50 HG2 LYS 50 1.508 3.697 5.423 371 HG3 LYS 50 HG3 LYS 50 3.232 3.575 5.064 372 HD2 LYS 50 HD2 LYS 50 2.624 3.047 2.982 373 HD3 LYS 50 HD3 LYS 50 2.119 1.487 3.635 374 HE2 LYS 50 HE2 LYS 50 -0.122 2.504 4.092 375 HE3 LYS 50 HE3 LYS 50 0.415 3.939 3.221 376 HZ1 LYS 50 HZ1 LYS 50 0.968 1.796 1.573 377 HZ2 LYS 50 HZ2 LYS 50 -0.257 2.945 1.375 378 HZ3 LYS 50 HZ3 LYS 50 -0.579 1.496 2.188 379 H THR 51 H THR 51 3.778 3.111 9.650 380 HA THR 51 HA THR 51 6.514 2.877 8.459 381 HB THR 51 HB THR 51 5.552 4.668 10.710 382 HG1 THR 51 HG1 THR 51 5.391 6.163 9.208 383 HG21 THR 51 HG21 THR 51 8.206 3.783 9.918 384 HG22 THR 51 HG22 THR 51 7.694 4.662 11.358 385 HG23 THR 51 HG23 THR 51 8.041 5.537 9.867 386 H PHE 52 H PHE 52 8.018 1.634 9.409 387 HA PHE 52 HA PHE 52 7.253 0.389 12.022 388 HB2 PHE 52 HB2 PHE 52 8.610 -0.836 9.609 389 HB3 PHE 52 HB3 PHE 52 8.620 -1.594 11.199 390 HD1 PHE 52 HD1 PHE 52 6.175 -0.089 8.814 391 HD2 PHE 52 HD2 PHE 52 7.020 -3.178 11.617 392 HE1 PHE 52 HE1 PHE 52 3.994 -1.121 8.330 393 HE2 PHE 52 HE2 PHE 52 4.842 -4.215 11.137 394 HZ PHE 52 HZ PHE 52 3.326 -3.187 9.491 395 H THR 53 H THR 53 8.751 0.291 13.614 396 HA THR 53 HA THR 53 11.433 1.445 12.947 397 HB THR 53 HB THR 53 10.059 1.709 15.629 398 HG1 THR 53 HG1 THR 53 8.801 3.059 14.563 399 HG21 THR 53 HG21 THR 53 12.513 1.966 15.575 400 HG22 THR 53 HG22 THR 53 11.695 3.471 15.994 401 HG23 THR 53 HG23 THR 53 12.337 3.239 14.368 402 H VAL 54 H VAL 54 13.247 0.571 13.920 403 HA VAL 54 HA VAL 54 12.789 -1.846 15.609 404 HB VAL 54 HB VAL 54 14.638 -1.700 13.213 405 HG11 VAL 54 HG11 VAL 54 15.145 -4.071 13.780 406 HG12 VAL 54 HG12 VAL 54 15.743 -2.909 14.966 407 HG13 VAL 54 HG13 VAL 54 14.285 -3.844 15.303 408 HG21 VAL 54 HG21 VAL 54 13.148 -3.846 12.746 409 HG22 VAL 54 HG22 VAL 54 11.991 -2.943 13.724 410 HG23 VAL 54 HG23 VAL 54 12.643 -2.231 12.248 411 H THR 55 H THR 55 13.732 -1.459 17.488 412 HA THR 55 HA THR 55 16.245 0.153 17.484 413 HB THR 55 HB THR 55 15.318 -0.315 20.139 414 HG1 THR 55 HG1 THR 55 13.302 0.399 18.273 415 HG21 THR 55 HG21 THR 55 16.361 1.687 19.971 416 HG22 THR 55 HG22 THR 55 14.727 2.277 19.663 417 HG23 THR 55 HG23 THR 55 15.816 1.949 18.315 418 H GLU 56 H GLU 56 17.496 -0.470 19.720 419 HA GLU 56 HA GLU 56 18.111 -3.370 19.357 420 HB2 GLU 56 HB2 GLU 56 19.753 -0.957 19.931 421 HB3 GLU 56 HB3 GLU 56 20.238 -2.448 20.727 422 HG2 GLU 56 HG2 GLU 56 19.814 -3.247 18.134 423 HG3 GLU 56 HG3 GLU 56 20.510 -1.638 17.950 Start of MODEL 30 1 H1 MET 1 H MET 1 -0.452 0.057 0.934 2 HA MET 1 HA MET 1 0.659 -1.352 -0.522 3 HB2 MET 1 HB2 MET 1 1.384 1.306 -1.757 4 HB3 MET 1 HB3 MET 1 1.174 -0.229 -2.588 5 HG2 MET 1 HG2 MET 1 -1.170 -0.212 -2.197 6 HG3 MET 1 HG3 MET 1 -1.036 1.167 -1.107 7 HE1 MET 1 HE1 MET 1 -3.191 1.524 -2.874 8 HE2 MET 1 HE2 MET 1 -2.968 2.261 -4.460 9 HE3 MET 1 HE3 MET 1 -2.692 0.532 -4.244 10 H GLN 2 H GLN 2 2.696 1.475 0.263 11 HA GLN 2 HA GLN 2 5.052 -0.365 0.145 12 HB2 GLN 2 HB2 GLN 2 6.320 1.890 -0.041 13 HB3 GLN 2 HB3 GLN 2 5.477 1.275 -1.457 14 HG2 GLN 2 HG2 GLN 2 3.589 2.763 -0.959 15 HG3 GLN 2 HG3 GLN 2 4.479 3.403 0.422 16 HE21 GLN 2 HE21 GLN 2 6.101 4.858 0.100 17 HE22 GLN 2 HE22 GLN 2 6.464 5.559 -1.437 18 H TYR 3 H TYR 3 6.171 -0.738 1.942 19 HA TYR 3 HA TYR 3 5.433 0.875 4.339 20 HB2 TYR 3 HB2 TYR 3 6.599 -1.906 4.056 21 HB3 TYR 3 HB3 TYR 3 6.428 -1.075 5.598 22 HD1 TYR 3 HD2 TYR 3 4.015 -0.220 6.155 23 HD2 TYR 3 HD1 TYR 3 4.874 -3.259 3.303 24 HE1 TYR 3 HE2 TYR 3 1.707 -1.047 6.349 25 HE2 TYR 3 HE1 TYR 3 2.567 -4.093 3.489 26 HH TYR 3 HH TYR 3 0.249 -2.950 4.203 27 H LYS 4 H LYS 4 7.048 1.531 5.834 28 HA LYS 4 HA LYS 4 9.789 1.650 4.642 29 HB2 LYS 4 HB2 LYS 4 9.117 3.843 4.343 30 HB3 LYS 4 HB3 LYS 4 8.065 3.833 5.752 31 HG2 LYS 4 HG2 LYS 4 9.947 4.004 7.230 32 HG3 LYS 4 HG3 LYS 4 11.073 3.826 5.882 33 HD2 LYS 4 HD2 LYS 4 9.191 5.986 5.440 34 HD3 LYS 4 HD3 LYS 4 10.103 6.206 6.935 35 HE2 LYS 4 HE2 LYS 4 12.146 5.574 5.434 36 HE3 LYS 4 HE3 LYS 4 11.079 6.053 4.116 37 HZ1 LYS 4 HZ1 LYS 4 10.936 8.225 4.935 38 HZ2 LYS 4 HZ2 LYS 4 12.574 7.830 5.081 39 HZ3 LYS 4 HZ3 LYS 4 11.575 7.808 6.446 40 H LEU 5 H LEU 5 11.526 1.513 6.040 41 HA LEU 5 HA LEU 5 10.836 1.013 8.902 42 HB2 LEU 5 HB2 LEU 5 11.135 -1.153 8.026 43 HB3 LEU 5 HB3 LEU 5 12.512 -0.660 7.043 44 HG LEU 5 HG LEU 5 13.795 -0.334 9.178 45 HD11 LEU 5 HD11 LEU 5 11.193 -1.091 10.271 46 HD12 LEU 5 HD12 LEU 5 12.538 -0.235 11.024 47 HD13 LEU 5 HD13 LEU 5 12.547 -1.996 10.946 48 HD21 LEU 5 HD21 LEU 5 13.990 -2.340 7.737 49 HD22 LEU 5 HD22 LEU 5 12.749 -3.124 8.714 50 HD23 LEU 5 HD23 LEU 5 14.291 -2.675 9.442 51 H VAL 6 H VAL 6 12.403 1.560 10.427 52 HA VAL 6 HA VAL 6 14.730 3.085 9.323 53 HB VAL 6 HB VAL 6 13.015 3.861 11.698 54 HG11 VAL 6 HG11 VAL 6 14.997 4.703 12.393 55 HG12 VAL 6 HG12 VAL 6 15.686 4.720 10.768 56 HG13 VAL 6 HG13 VAL 6 14.576 5.996 11.271 57 HG21 VAL 6 HG21 VAL 6 13.292 4.973 8.920 58 HG22 VAL 6 HG22 VAL 6 11.827 4.451 9.752 59 HG23 VAL 6 HG23 VAL 6 12.650 5.927 10.257 60 H ILE 7 H ILE 7 16.494 1.968 9.812 61 HA ILE 7 HA ILE 7 16.560 0.370 12.294 62 HB ILE 7 HB ILE 7 18.609 0.675 10.084 63 HG12 ILE 7 HG12 ILE 7 17.198 -1.883 10.558 64 HG13 ILE 7 HG13 ILE 7 16.216 -0.579 9.901 65 HG21 ILE 7 HG21 ILE 7 20.009 -0.130 11.637 66 HG22 ILE 7 HG22 ILE 7 18.696 -0.619 12.707 67 HG23 ILE 7 HG23 ILE 7 19.177 -1.661 11.368 68 HD11 ILE 7 HD11 ILE 7 17.932 -0.322 8.100 69 HD12 ILE 7 HD12 ILE 7 18.688 -1.795 8.707 70 HD13 ILE 7 HD13 ILE 7 17.041 -1.843 8.079 71 H ASN 8 H ASN 8 17.105 1.314 14.134 72 HA ASN 8 HA ASN 8 19.269 3.380 14.021 73 HB2 ASN 8 HB2 ASN 8 16.680 3.294 15.515 74 HB3 ASN 8 HB3 ASN 8 18.064 4.037 16.310 75 HD21 ASN 8 HD21 ASN 8 19.348 5.444 14.576 76 HD22 ASN 8 HD22 ASN 8 18.351 6.601 13.767 77 H GLY 9 H GLY 9 20.418 1.123 14.139 78 HA2 GLY 9 HA2 GLY 9 20.484 0.031 16.868 79 HA3 GLY 9 HA3 GLY 9 21.406 -0.536 15.483 80 H LYS 10 H LYS 10 22.058 0.222 18.374 81 HA LYS 10 HA LYS 10 23.581 2.560 18.509 82 HB2 LYS 10 HB2 LYS 10 23.151 1.124 20.439 83 HB3 LYS 10 HB3 LYS 10 24.168 -0.140 19.760 84 HG2 LYS 10 HG2 LYS 10 26.127 1.224 20.009 85 HG3 LYS 10 HG3 LYS 10 25.150 2.601 20.525 86 HD2 LYS 10 HD2 LYS 10 24.347 0.770 22.322 87 HD3 LYS 10 HD3 LYS 10 25.988 0.193 22.021 88 HE2 LYS 10 HE2 LYS 10 26.079 1.715 23.856 89 HE3 LYS 10 HE3 LYS 10 26.797 2.517 22.460 90 HZ1 LYS 10 HZ1 LYS 10 24.240 3.058 23.799 91 HZ2 LYS 10 HZ2 LYS 10 24.394 3.415 22.153 92 HZ3 LYS 10 HZ3 LYS 10 25.429 4.143 23.276 93 H THR 11 H THR 11 24.286 -0.446 16.860 94 HA THR 11 HA THR 11 27.005 0.608 16.199 95 HB THR 11 HB THR 11 27.600 -1.693 15.586 96 HG1 THR 11 HG1 THR 11 26.150 -3.327 15.690 97 HG21 THR 11 HG21 THR 11 27.547 -2.691 17.831 98 HG22 THR 11 HG22 THR 11 26.346 -1.498 18.327 99 HG23 THR 11 HG23 THR 11 27.974 -0.981 17.890 100 H LEU 12 H LEU 12 24.154 -1.062 14.817 101 HA LEU 12 HA LEU 12 25.058 -0.144 12.125 102 HB2 LEU 12 HB2 LEU 12 24.730 -2.500 12.198 103 HB3 LEU 12 HB3 LEU 12 23.176 -2.328 13.013 104 HG LEU 12 HG LEU 12 22.136 -1.534 11.015 105 HD11 LEU 12 HD11 LEU 12 23.445 -0.194 9.772 106 HD12 LEU 12 HD12 LEU 12 23.831 -1.689 8.920 107 HD13 LEU 12 HD13 LEU 12 24.916 -1.082 10.171 108 HD21 LEU 12 HD21 LEU 12 22.096 -3.497 9.822 109 HD22 LEU 12 HD22 LEU 12 22.803 -4.044 11.342 110 HD23 LEU 12 HD23 LEU 12 23.839 -3.737 9.948 111 H LYS 13 H LYS 13 24.116 1.576 11.287 112 HA LYS 13 HA LYS 13 21.265 2.091 12.022 113 HB2 LYS 13 HB2 LYS 13 23.544 3.709 12.627 114 HB3 LYS 13 HB3 LYS 13 22.572 4.560 11.433 115 HG2 LYS 13 HG2 LYS 13 20.687 4.597 12.838 116 HG3 LYS 13 HG3 LYS 13 21.380 3.395 13.929 117 HD2 LYS 13 HD2 LYS 13 22.906 5.906 13.541 118 HD3 LYS 13 HD3 LYS 13 21.402 6.013 14.459 119 HE2 LYS 13 HE2 LYS 13 23.474 3.930 15.073 120 HE3 LYS 13 HE3 LYS 13 23.580 5.557 15.742 121 HZ1 LYS 13 HZ1 LYS 13 21.067 4.064 16.019 122 HZ2 LYS 13 HZ2 LYS 13 21.728 5.249 17.028 123 HZ3 LYS 13 HZ3 LYS 13 22.362 3.681 17.039 124 H GLY 14 H GLY 14 19.914 2.577 10.384 125 HA2 GLY 14 HA2 GLY 14 20.731 3.789 7.936 126 HA3 GLY 14 HA3 GLY 14 20.699 2.046 7.716 127 H GLU 15 H GLU 15 19.059 2.680 6.073 128 HA GLU 15 HA GLU 15 16.402 2.414 7.318 129 HB2 GLU 15 HB2 GLU 15 17.167 4.943 6.798 130 HB3 GLU 15 HB3 GLU 15 16.549 4.509 5.210 131 HG2 GLU 15 HG2 GLU 15 14.404 3.907 6.199 132 HG3 GLU 15 HG3 GLU 15 15.021 4.326 7.796 133 H THR 16 H THR 16 14.687 2.019 5.672 134 HA THR 16 HA THR 16 15.397 1.388 2.964 135 HB THR 16 HB THR 16 16.619 -0.473 4.049 136 HG1 THR 16 HG1 THR 16 15.472 -2.157 2.828 137 HG21 THR 16 HG21 THR 16 15.752 -1.520 5.813 138 HG22 THR 16 HG22 THR 16 14.481 -2.174 4.780 139 HG23 THR 16 HG23 THR 16 14.236 -0.642 5.617 140 H THR 17 H THR 17 13.643 0.003 1.899 141 HA THR 17 HA THR 17 11.050 0.281 3.339 142 HB THR 17 HB THR 17 10.073 1.083 1.093 143 HG1 THR 17 HG1 THR 17 11.636 2.305 -0.145 144 HG21 THR 17 HG21 THR 17 11.490 2.579 3.180 145 HG22 THR 17 HG22 THR 17 9.863 2.799 2.534 146 HG23 THR 17 HG23 THR 17 11.250 3.478 1.682 147 H THR 18 H THR 18 9.284 -0.925 2.332 148 HA THR 18 HA THR 18 10.022 -2.924 0.313 149 HB THR 18 HB THR 18 10.786 -3.831 2.595 150 HG1 THR 18 HG1 THR 18 9.101 -5.119 0.743 151 HG21 THR 18 HG21 THR 18 9.269 -4.463 4.192 152 HG22 THR 18 HG22 THR 18 7.955 -4.641 3.030 153 HG23 THR 18 HG23 THR 18 8.452 -3.035 3.560 154 H LYS 19 H LYS 19 8.281 -3.772 -0.750 155 HA LYS 19 HA LYS 19 5.656 -2.612 0.056 156 HB2 LYS 19 HB2 LYS 19 5.016 -2.714 -2.198 157 HB3 LYS 19 HB3 LYS 19 6.707 -2.236 -2.267 158 HG2 LYS 19 HG2 LYS 19 6.992 -4.896 -2.422 159 HG3 LYS 19 HG3 LYS 19 5.398 -4.722 -3.161 160 HD2 LYS 19 HD2 LYS 19 7.783 -3.085 -3.996 161 HD3 LYS 19 HD3 LYS 19 7.367 -4.630 -4.743 162 HE2 LYS 19 HE2 LYS 19 5.984 -3.539 -6.097 163 HE3 LYS 19 HE3 LYS 19 4.997 -3.132 -4.695 164 HZ1 LYS 19 HZ1 LYS 19 7.157 -1.374 -4.740 165 HZ2 LYS 19 HZ2 LYS 19 5.525 -1.021 -5.009 166 HZ3 LYS 19 HZ3 LYS 19 6.529 -1.419 -6.311 167 H ALA 20 H ALA 20 3.907 -3.837 0.512 168 HA ALA 20 HA ALA 20 3.948 -6.717 -0.096 169 HB1 ALA 20 HB1 ALA 20 4.722 -5.721 2.492 170 HB2 ALA 20 HB2 ALA 20 3.236 -6.664 2.622 171 HB3 ALA 20 HB3 ALA 20 4.675 -7.381 1.897 172 H VAL 21 H VAL 21 1.930 -7.646 -0.154 173 HA VAL 21 HA VAL 21 -0.273 -6.024 -0.711 174 HB VAL 21 HB VAL 21 -0.419 -8.805 0.481 175 HG11 VAL 21 HG11 VAL 21 -2.344 -7.023 -0.917 176 HG12 VAL 21 HG12 VAL 21 -2.424 -8.756 -1.242 177 HG13 VAL 21 HG13 VAL 21 -2.608 -8.157 0.407 178 HG21 VAL 21 HG21 VAL 21 0.705 -9.492 -1.313 179 HG22 VAL 21 HG22 VAL 21 -0.667 -8.967 -2.289 180 HG23 VAL 21 HG23 VAL 21 0.690 -7.875 -2.018 181 H ASP 22 H ASP 22 0.807 -7.328 2.400 182 HA ASP 22 HA ASP 22 -1.059 -5.444 3.728 183 HB2 ASP 22 HB2 ASP 22 -1.555 -7.329 5.416 184 HB3 ASP 22 HB3 ASP 22 -2.390 -7.381 3.866 185 H ALA 23 H ALA 23 -0.642 -5.693 6.263 186 HA ALA 23 HA ALA 23 2.125 -4.924 6.601 187 HB1 ALA 23 HB1 ALA 23 1.222 -5.208 9.137 188 HB2 ALA 23 HB2 ALA 23 0.923 -3.788 8.133 189 HB3 ALA 23 HB3 ALA 23 -0.306 -5.046 8.269 190 H GLU 24 H GLU 24 0.176 -7.737 7.649 191 HA GLU 24 HA GLU 24 2.140 -9.059 9.153 192 HB2 GLU 24 HB2 GLU 24 -0.070 -9.921 9.168 193 HB3 GLU 24 HB3 GLU 24 -0.102 -10.100 7.419 194 HG2 GLU 24 HG2 GLU 24 1.239 -11.998 7.461 195 HG3 GLU 24 HG3 GLU 24 1.834 -11.656 9.085 196 H THR 25 H THR 25 1.838 -8.692 5.685 197 HA THR 25 HA THR 25 3.669 -10.838 5.015 198 HB THR 25 HB THR 25 2.752 -8.432 3.413 199 HG1 THR 25 HG1 THR 25 1.283 -9.854 2.555 200 HG21 THR 25 HG21 THR 25 4.891 -9.248 2.569 201 HG22 THR 25 HG22 THR 25 3.589 -9.658 1.452 202 HG23 THR 25 HG23 THR 25 4.258 -10.893 2.518 203 H ALA 26 H ALA 26 3.954 -7.273 5.233 204 HA ALA 26 HA ALA 26 6.718 -7.182 4.513 205 HB1 ALA 26 HB1 ALA 26 6.599 -4.939 4.975 206 HB2 ALA 26 HB2 ALA 26 4.886 -5.304 4.768 207 HB3 ALA 26 HB3 ALA 26 5.567 -5.164 6.388 208 H GLU 27 H GLU 27 5.045 -7.763 7.562 209 HA GLU 27 HA GLU 27 7.223 -7.300 9.324 210 HB2 GLU 27 HB2 GLU 27 4.796 -7.704 9.927 211 HB3 GLU 27 HB3 GLU 27 5.088 -9.418 9.668 212 HG2 GLU 27 HG2 GLU 27 5.280 -9.083 11.979 213 HG3 GLU 27 HG3 GLU 27 6.932 -9.232 11.384 214 H LYS 28 H LYS 28 6.562 -9.886 7.097 215 HA LYS 28 HA LYS 28 8.464 -11.720 8.389 216 HB2 LYS 28 HB2 LYS 28 6.559 -11.824 6.112 217 HB3 LYS 28 HB3 LYS 28 7.985 -12.844 5.974 218 HG2 LYS 28 HG2 LYS 28 6.518 -14.274 6.989 219 HG3 LYS 28 HG3 LYS 28 7.333 -13.582 8.393 220 HD2 LYS 28 HD2 LYS 28 5.504 -12.014 8.710 221 HD3 LYS 28 HD3 LYS 28 4.704 -12.625 7.260 222 HE2 LYS 28 HE2 LYS 28 3.715 -13.560 9.291 223 HE3 LYS 28 HE3 LYS 28 4.461 -14.813 8.302 224 HZ1 LYS 28 HZ1 LYS 28 6.275 -14.966 9.765 225 HZ2 LYS 28 HZ2 LYS 28 4.909 -14.920 10.761 226 HZ3 LYS 28 HZ3 LYS 28 5.867 -13.538 10.575 227 H ALA 29 H ALA 29 8.293 -9.610 5.532 228 HA ALA 29 HA ALA 29 10.876 -10.432 4.510 229 HB1 ALA 29 HB1 ALA 29 10.474 -8.984 2.793 230 HB2 ALA 29 HB2 ALA 29 8.822 -9.194 3.375 231 HB3 ALA 29 HB3 ALA 29 9.743 -7.762 3.834 232 H PHE 30 H PHE 30 9.714 -7.492 6.213 233 HA PHE 30 HA PHE 30 12.161 -6.143 6.376 234 HB2 PHE 30 HB2 PHE 30 9.658 -6.181 7.984 235 HB3 PHE 30 HB3 PHE 30 11.068 -5.447 8.741 236 HD1 PHE 30 HD2 PHE 30 12.410 -4.150 6.515 237 HD2 PHE 30 HD1 PHE 30 8.254 -4.453 7.387 238 HE1 PHE 30 HE2 PHE 30 11.999 -2.072 5.264 239 HE2 PHE 30 HE1 PHE 30 7.837 -2.375 6.136 240 HZ PHE 30 HZ PHE 30 9.711 -1.181 5.074 241 H LYS 31 H LYS 31 10.798 -8.539 8.660 242 HA LYS 31 HA LYS 31 12.879 -8.472 10.557 243 HB2 LYS 31 HB2 LYS 31 10.983 -10.635 9.660 244 HB3 LYS 31 HB3 LYS 31 12.192 -10.952 10.898 245 HG2 LYS 31 HG2 LYS 31 10.265 -8.665 11.117 246 HG3 LYS 31 HG3 LYS 31 9.859 -10.292 11.668 247 HD2 LYS 31 HD2 LYS 31 12.200 -10.057 12.891 248 HD3 LYS 31 HD3 LYS 31 11.814 -8.339 12.766 249 HE2 LYS 31 HE2 LYS 31 10.907 -8.933 14.819 250 HE3 LYS 31 HE3 LYS 31 9.521 -9.017 13.734 251 HZ1 LYS 31 HZ1 LYS 31 10.424 -11.006 15.393 252 HZ2 LYS 31 HZ2 LYS 31 10.906 -11.501 13.849 253 HZ3 LYS 31 HZ3 LYS 31 9.277 -11.167 14.159 254 H GLN 32 H GLN 32 12.595 -10.327 7.529 255 HA GLN 32 HA GLN 32 14.775 -12.034 7.777 256 HB2 GLN 32 HB2 GLN 32 13.094 -11.186 5.715 257 HB3 GLN 32 HB3 GLN 32 14.710 -10.801 5.137 258 HG2 GLN 32 HG2 GLN 32 14.434 -13.465 6.328 259 HG3 GLN 32 HG3 GLN 32 13.496 -13.205 4.859 260 HE21 GLN 32 HE21 GLN 32 14.964 -11.749 3.264 261 HE22 GLN 32 HE22 GLN 32 16.493 -12.478 2.925 262 H TYR 33 H TYR 33 14.766 -8.578 6.965 263 HA TYR 33 HA TYR 33 17.595 -8.488 6.360 264 HB2 TYR 33 HB2 TYR 33 15.499 -6.795 5.949 265 HB3 TYR 33 HB3 TYR 33 16.284 -6.012 7.316 266 HD1 TYR 33 HD2 TYR 33 17.541 -7.766 4.259 267 HD2 TYR 33 HD1 TYR 33 17.571 -4.232 6.627 268 HE1 TYR 33 HE2 TYR 33 19.188 -6.764 2.732 269 HE2 TYR 33 HE1 TYR 33 19.217 -3.219 5.106 270 HH TYR 33 HH TYR 33 19.781 -3.745 2.392 271 H ALA 34 H ALA 34 15.615 -7.940 9.250 272 HA ALA 34 HA ALA 34 17.602 -6.768 10.891 273 HB1 ALA 34 HB1 ALA 34 14.970 -7.705 11.193 274 HB2 ALA 34 HB2 ALA 34 15.926 -8.542 12.417 275 HB3 ALA 34 HB3 ALA 34 15.926 -6.780 12.351 276 H ASN 35 H ASN 35 16.812 -10.195 10.278 277 HA ASN 35 HA ASN 35 18.691 -11.239 12.177 278 HB2 ASN 35 HB2 ASN 35 17.138 -12.323 9.864 279 HB3 ASN 35 HB3 ASN 35 18.491 -13.277 10.463 280 HD21 ASN 35 HD21 ASN 35 16.838 -14.840 10.992 281 HD22 ASN 35 HD22 ASN 35 15.967 -14.684 12.475 282 H ASP 36 H ASP 36 18.861 -10.969 8.599 283 HA ASP 36 HA ASP 36 21.519 -11.875 8.331 284 HB2 ASP 36 HB2 ASP 36 20.311 -9.698 6.615 285 HB3 ASP 36 HB3 ASP 36 21.471 -10.939 6.148 286 H ASN 37 H ASN 37 20.253 -8.763 9.347 287 HA ASN 37 HA ASN 37 22.931 -7.525 9.173 288 HB2 ASN 37 HB2 ASN 37 20.157 -6.544 9.777 289 HB3 ASN 37 HB3 ASN 37 21.543 -5.586 10.287 290 HD21 ASN 37 HD21 ASN 37 19.513 -6.456 7.719 291 HD22 ASN 37 HD22 ASN 37 20.331 -5.595 6.464 292 H GLY 38 H GLY 38 21.113 -9.370 11.363 293 HA2 GLY 38 HA2 GLY 38 21.691 -10.032 13.517 294 HA3 GLY 38 HA3 GLY 38 23.130 -9.029 13.417 295 H VAL 39 H VAL 39 20.230 -7.388 12.669 296 HA VAL 39 HA VAL 39 20.381 -6.036 15.318 297 HB VAL 39 HB VAL 39 19.114 -5.162 12.710 298 HG11 VAL 39 HG11 VAL 39 19.013 -4.011 15.464 299 HG12 VAL 39 HG12 VAL 39 18.993 -2.938 14.063 300 HG13 VAL 39 HG13 VAL 39 17.733 -4.157 14.260 301 HG21 VAL 39 HG21 VAL 39 21.485 -4.056 14.211 302 HG22 VAL 39 HG22 VAL 39 21.581 -5.091 12.786 303 HG23 VAL 39 HG23 VAL 39 20.860 -3.486 12.663 304 H ASP 40 H ASP 40 19.043 -6.830 16.795 305 HA ASP 40 HA ASP 40 16.214 -7.275 15.961 306 HB2 ASP 40 HB2 ASP 40 17.396 -9.466 16.140 307 HB3 ASP 40 HB3 ASP 40 17.764 -9.100 17.823 308 H GLY 41 H GLY 41 14.688 -7.292 17.808 309 HA2 GLY 41 HA2 GLY 41 15.169 -6.610 20.415 310 HA3 GLY 41 HA3 GLY 41 15.374 -5.074 19.587 311 H VAL 42 H VAL 42 13.646 -3.878 20.048 312 HA VAL 42 HA VAL 42 10.985 -5.212 20.002 313 HB VAL 42 HB VAL 42 10.150 -3.161 21.070 314 HG11 VAL 42 HG11 VAL 42 10.920 -4.950 22.498 315 HG12 VAL 42 HG12 VAL 42 12.579 -4.357 22.400 316 HG13 VAL 42 HG13 VAL 42 11.345 -3.399 23.220 317 HG21 VAL 42 HG21 VAL 42 12.426 -1.822 21.920 318 HG22 VAL 42 HG22 VAL 42 12.717 -2.130 20.208 319 HG23 VAL 42 HG23 VAL 42 11.266 -1.264 20.714 320 H TRP 43 H TRP 43 9.582 -4.931 18.402 321 HA TRP 43 HA TRP 43 10.204 -2.776 16.423 322 HB2 TRP 43 HB2 TRP 43 8.997 -5.525 16.107 323 HB3 TRP 43 HB3 TRP 43 8.783 -4.280 14.880 324 HD1 TRP 43 HD1 TRP 43 11.799 -5.864 16.763 325 HE1 TRP 43 HE1 TRP 43 13.715 -6.152 15.069 326 HE3 TRP 43 HE3 TRP 43 9.548 -3.846 12.640 327 HZ2 TRP 43 HZ2 TRP 43 14.208 -5.597 12.346 328 HZ3 TRP 43 HZ3 TRP 43 10.811 -3.762 10.530 329 HH2 TRP 43 HH2 TRP 43 13.092 -4.619 10.388 330 H THR 44 H THR 44 8.518 -1.558 15.526 331 HA THR 44 HA THR 44 5.952 -1.733 17.060 332 HB THR 44 HB THR 44 5.829 0.798 16.653 333 HG1 THR 44 HG1 THR 44 8.576 0.301 16.103 334 HG21 THR 44 HG21 THR 44 8.094 0.449 18.480 335 HG22 THR 44 HG22 THR 44 6.763 -0.674 18.760 336 HG23 THR 44 HG23 THR 44 6.472 1.065 18.791 337 H TYR 45 H TYR 45 4.054 -1.438 15.958 338 HA TYR 45 HA TYR 45 4.322 -1.021 13.008 339 HB2 TYR 45 HB2 TYR 45 3.923 -3.355 13.255 340 HB3 TYR 45 HB3 TYR 45 2.699 -3.098 14.493 341 HD1 TYR 45 HD1 TYR 45 2.947 -1.220 11.316 342 HD2 TYR 45 HD2 TYR 45 0.895 -4.255 13.479 343 HE1 TYR 45 HE1 TYR 45 1.198 -1.261 9.587 344 HE2 TYR 45 HE2 TYR 45 -0.859 -4.305 11.756 345 HH TYR 45 HH TYR 45 -1.580 -3.464 9.837 346 H ASP 46 H ASP 46 3.219 0.666 12.315 347 HA ASP 46 HA ASP 46 0.707 1.377 13.770 348 HB2 ASP 46 HB2 ASP 46 2.605 2.905 14.371 349 HB3 ASP 46 HB3 ASP 46 2.713 3.371 12.675 350 H ASP 47 H ASP 47 -0.606 0.435 12.230 351 HA ASP 47 HA ASP 47 -0.331 0.631 9.442 352 HB2 ASP 47 HB2 ASP 47 -1.970 -0.859 10.185 353 HB3 ASP 47 HB3 ASP 47 -2.705 0.322 11.266 354 H ALA 48 H ALA 48 -1.396 3.015 11.766 355 HA ALA 48 HA ALA 48 -2.913 4.747 10.190 356 HB1 ALA 48 HB1 ALA 48 -1.790 6.574 11.630 357 HB2 ALA 48 HB2 ALA 48 -2.722 5.314 12.440 358 HB3 ALA 48 HB3 ALA 48 -0.961 5.232 12.420 359 H THR 49 H THR 49 0.617 4.355 10.300 360 HA THR 49 HA THR 49 0.752 6.063 7.850 361 HB THR 49 HB THR 49 3.166 6.575 8.768 362 HG1 THR 49 HG1 THR 49 2.767 5.191 10.662 363 HG21 THR 49 HG21 THR 49 1.596 8.300 10.358 364 HG22 THR 49 HG22 THR 49 0.632 7.898 8.936 365 HG23 THR 49 HG23 THR 49 2.239 8.599 8.744 366 H LYS 50 H LYS 50 0.614 3.101 8.371 367 HA LYS 50 HA LYS 50 1.881 1.175 7.932 368 HB2 LYS 50 HB2 LYS 50 2.686 1.367 5.442 369 HB3 LYS 50 HB3 LYS 50 0.968 1.409 5.819 370 HG2 LYS 50 HG2 LYS 50 1.008 3.856 5.691 371 HG3 LYS 50 HG3 LYS 50 2.724 3.797 5.281 372 HD2 LYS 50 HD2 LYS 50 2.301 3.275 3.145 373 HD3 LYS 50 HD3 LYS 50 1.081 2.079 3.590 374 HE2 LYS 50 HE2 LYS 50 0.205 3.990 2.247 375 HE3 LYS 50 HE3 LYS 50 -0.596 3.770 3.802 376 HZ1 LYS 50 HZ1 LYS 50 0.105 6.120 3.088 377 HZ2 LYS 50 HZ2 LYS 50 1.664 5.644 3.542 378 HZ3 LYS 50 HZ3 LYS 50 0.412 5.637 4.680 379 H THR 51 H THR 51 3.469 2.691 9.549 380 HA THR 51 HA THR 51 6.147 2.245 8.298 381 HB THR 51 HB THR 51 5.319 4.592 10.027 382 HG1 THR 51 HG1 THR 51 6.518 4.560 7.445 383 HG21 THR 51 HG21 THR 51 7.852 5.158 9.357 384 HG22 THR 51 HG22 THR 51 7.971 3.401 9.463 385 HG23 THR 51 HG23 THR 51 7.420 4.333 10.855 386 H PHE 52 H PHE 52 7.651 1.246 9.537 387 HA PHE 52 HA PHE 52 6.778 0.546 12.312 388 HB2 PHE 52 HB2 PHE 52 8.713 -1.149 10.764 389 HB3 PHE 52 HB3 PHE 52 7.601 -1.612 12.048 390 HD1 PHE 52 HD1 PHE 52 5.066 -0.503 11.029 391 HD2 PHE 52 HD2 PHE 52 8.189 -2.579 9.014 392 HE1 PHE 52 HE1 PHE 52 3.453 -1.292 9.347 393 HE2 PHE 52 HE2 PHE 52 6.580 -3.370 7.329 394 HZ PHE 52 HZ PHE 52 4.209 -2.726 7.494 395 H THR 53 H THR 53 8.644 -0.084 13.761 396 HA THR 53 HA THR 53 11.112 1.446 13.118 397 HB THR 53 HB THR 53 9.946 1.735 15.868 398 HG1 THR 53 HG1 THR 53 8.654 3.379 15.235 399 HG21 THR 53 HG21 THR 53 11.971 3.089 14.160 400 HG22 THR 53 HG22 THR 53 12.037 2.665 15.870 401 HG23 THR 53 HG23 THR 53 11.102 4.064 15.344 402 H VAL 54 H VAL 54 12.883 0.333 13.592 403 HA VAL 54 HA VAL 54 12.590 -1.937 15.520 404 HB VAL 54 HB VAL 54 13.073 -2.790 13.331 405 HG11 VAL 54 HG11 VAL 54 15.454 -0.940 13.244 406 HG12 VAL 54 HG12 VAL 54 14.967 -2.088 11.996 407 HG13 VAL 54 HG13 VAL 54 13.946 -0.697 12.363 408 HG21 VAL 54 HG21 VAL 54 14.271 -3.786 15.264 409 HG22 VAL 54 HG22 VAL 54 15.120 -3.990 13.732 410 HG23 VAL 54 HG23 VAL 54 15.659 -2.767 14.883 411 H THR 55 H THR 55 13.759 -1.911 17.318 412 HA THR 55 HA THR 55 15.938 0.127 17.490 413 HB THR 55 HB THR 55 15.034 -1.069 20.015 414 HG1 THR 55 HG1 THR 55 13.218 0.579 18.561 415 HG21 THR 55 HG21 THR 55 15.735 0.910 20.784 416 HG22 THR 55 HG22 THR 55 14.691 1.791 19.670 417 HG23 THR 55 HG23 THR 55 16.285 1.252 19.145 418 H GLU 56 H GLU 56 17.305 -0.679 19.679 419 HA GLU 56 HA GLU 56 18.432 -3.291 18.761 420 HB2 GLU 56 HB2 GLU 56 19.635 -0.749 19.407 421 HB3 GLU 56 HB3 GLU 56 20.262 -1.993 20.479 422 HG2 GLU 56 HG2 GLU 56 20.325 -1.971 17.474 423 HG3 GLU 56 HG3 GLU 56 21.692 -1.841 18.580 Start of MODEL 31 1 H1 MET 1 H MET 1 0.791 1.733 -2.973 2 HA MET 1 HA MET 1 1.109 0.288 -0.510 3 HB2 MET 1 HB2 MET 1 1.620 -0.434 -3.394 4 HB3 MET 1 HB3 MET 1 1.921 -1.544 -2.064 5 HG2 MET 1 HG2 MET 1 -0.355 -1.685 -1.520 6 HG3 MET 1 HG3 MET 1 -0.757 -0.267 -2.486 7 HE1 MET 1 HE1 MET 1 -2.143 -3.741 -3.044 8 HE2 MET 1 HE2 MET 1 -2.585 -2.069 -2.697 9 HE3 MET 1 HE3 MET 1 -2.775 -2.711 -4.329 10 H GLN 2 H GLN 2 2.718 1.774 0.414 11 HA GLN 2 HA GLN 2 5.408 0.733 -0.164 12 HB2 GLN 2 HB2 GLN 2 4.580 3.190 -1.289 13 HB3 GLN 2 HB3 GLN 2 5.633 3.600 0.058 14 HG2 GLN 2 HG2 GLN 2 7.290 1.956 -0.910 15 HG3 GLN 2 HG3 GLN 2 6.270 1.924 -2.348 16 HE21 GLN 2 HE21 GLN 2 8.692 2.674 -2.861 17 HE22 GLN 2 HE22 GLN 2 8.843 4.384 -3.057 18 H TYR 3 H TYR 3 6.327 0.277 1.709 19 HA TYR 3 HA TYR 3 5.332 1.714 4.121 20 HB2 TYR 3 HB2 TYR 3 6.752 -0.934 3.753 21 HB3 TYR 3 HB3 TYR 3 6.493 -0.199 5.331 22 HD1 TYR 3 HD1 TYR 3 4.509 -1.035 2.270 23 HD2 TYR 3 HD2 TYR 3 4.654 -0.912 6.520 24 HE1 TYR 3 HE1 TYR 3 2.273 -2.055 2.370 25 HE2 TYR 3 HE2 TYR 3 2.419 -1.932 6.632 26 HH TYR 3 HH TYR 3 0.966 -3.344 5.203 27 H LYS 4 H LYS 4 7.156 1.649 5.940 28 HA LYS 4 HA LYS 4 9.717 2.578 4.737 29 HB2 LYS 4 HB2 LYS 4 7.741 4.261 5.961 30 HB3 LYS 4 HB3 LYS 4 9.166 4.225 6.991 31 HG2 LYS 4 HG2 LYS 4 9.042 5.007 4.088 32 HG3 LYS 4 HG3 LYS 4 9.357 6.060 5.470 33 HD2 LYS 4 HD2 LYS 4 11.249 4.020 5.667 34 HD3 LYS 4 HD3 LYS 4 11.185 4.418 3.949 35 HE2 LYS 4 HE2 LYS 4 11.308 6.627 5.949 36 HE3 LYS 4 HE3 LYS 4 12.777 5.723 5.582 37 HZ1 LYS 4 HZ1 LYS 4 11.334 6.519 3.234 38 HZ2 LYS 4 HZ2 LYS 4 12.969 6.723 3.617 39 HZ3 LYS 4 HZ3 LYS 4 11.826 7.838 4.172 40 H LEU 5 H LEU 5 11.508 1.993 5.833 41 HA LEU 5 HA LEU 5 11.100 0.847 8.562 42 HB2 LEU 5 HB2 LEU 5 11.299 -0.935 6.855 43 HB3 LEU 5 HB3 LEU 5 12.871 -0.289 6.390 44 HG LEU 5 HG LEU 5 13.689 -0.794 8.687 45 HD11 LEU 5 HD11 LEU 5 11.070 -0.972 9.366 46 HD12 LEU 5 HD12 LEU 5 12.397 -1.647 10.310 47 HD13 LEU 5 HD13 LEU 5 11.496 -2.675 9.196 48 HD21 LEU 5 HD21 LEU 5 13.024 -2.651 6.576 49 HD22 LEU 5 HD22 LEU 5 13.076 -3.451 8.146 50 HD23 LEU 5 HD23 LEU 5 14.477 -2.547 7.570 51 H VAL 6 H VAL 6 12.448 1.576 10.071 52 HA VAL 6 HA VAL 6 14.938 2.944 9.128 53 HB VAL 6 HB VAL 6 13.140 3.790 11.417 54 HG11 VAL 6 HG11 VAL 6 14.850 5.835 11.093 55 HG12 VAL 6 HG12 VAL 6 15.119 4.517 12.235 56 HG13 VAL 6 HG13 VAL 6 15.905 4.491 10.655 57 HG21 VAL 6 HG21 VAL 6 12.015 4.820 9.779 58 HG22 VAL 6 HG22 VAL 6 13.393 5.917 9.706 59 HG23 VAL 6 HG23 VAL 6 13.298 4.546 8.601 60 H ILE 7 H ILE 7 16.681 1.904 9.789 61 HA ILE 7 HA ILE 7 16.484 0.250 12.254 62 HB ILE 7 HB ILE 7 18.615 0.325 10.102 63 HG12 ILE 7 HG12 ILE 7 17.002 -2.103 10.587 64 HG13 ILE 7 HG13 ILE 7 16.125 -0.742 9.897 65 HG21 ILE 7 HG21 ILE 7 19.344 -1.820 11.238 66 HG22 ILE 7 HG22 ILE 7 19.694 -0.320 12.096 67 HG23 ILE 7 HG23 ILE 7 18.335 -1.326 12.598 68 HD11 ILE 7 HD11 ILE 7 18.620 -1.974 8.753 69 HD12 ILE 7 HD12 ILE 7 16.975 -2.250 8.181 70 HD13 ILE 7 HD13 ILE 7 17.697 -0.646 8.051 71 H ASN 8 H ASN 8 17.028 1.224 14.082 72 HA ASN 8 HA ASN 8 19.310 3.156 13.981 73 HB2 ASN 8 HB2 ASN 8 16.733 3.130 15.483 74 HB3 ASN 8 HB3 ASN 8 18.145 3.760 16.327 75 HD21 ASN 8 HD21 ASN 8 19.519 5.181 14.675 76 HD22 ASN 8 HD22 ASN 8 18.593 6.428 13.917 77 H GLY 9 H GLY 9 20.496 0.973 14.041 78 HA2 GLY 9 HA2 GLY 9 20.510 -0.347 16.649 79 HA3 GLY 9 HA3 GLY 9 21.562 -0.697 15.286 80 H LYS 10 H LYS 10 22.026 -0.286 18.247 81 HA LYS 10 HA LYS 10 23.322 2.131 18.786 82 HB2 LYS 10 HB2 LYS 10 22.890 0.076 20.299 83 HB3 LYS 10 HB3 LYS 10 24.441 -0.512 19.714 84 HG2 LYS 10 HG2 LYS 10 25.249 1.880 20.456 85 HG3 LYS 10 HG3 LYS 10 23.829 1.782 21.499 86 HD2 LYS 10 HD2 LYS 10 24.655 -0.336 22.415 87 HD3 LYS 10 HD3 LYS 10 26.077 -0.229 21.375 88 HE2 LYS 10 HE2 LYS 10 27.078 0.872 23.030 89 HE3 LYS 10 HE3 LYS 10 25.990 2.217 22.690 90 HZ1 LYS 10 HZ1 LYS 10 24.738 0.232 24.306 91 HZ2 LYS 10 HZ2 LYS 10 24.930 1.888 24.596 92 HZ3 LYS 10 HZ3 LYS 10 26.155 0.806 25.032 93 H THR 11 H THR 11 24.376 -0.560 16.805 94 HA THR 11 HA THR 11 26.955 0.891 16.346 95 HB THR 11 HB THR 11 27.872 -1.319 15.615 96 HG1 THR 11 HG1 THR 11 25.410 -2.284 16.687 97 HG21 THR 11 HG21 THR 11 27.778 -2.333 18.017 98 HG22 THR 11 HG22 THR 11 26.918 -0.844 18.412 99 HG23 THR 11 HG23 THR 11 28.555 -0.772 17.759 100 H LEU 12 H LEU 12 24.389 -1.096 14.853 101 HA LEU 12 HA LEU 12 25.282 -0.098 12.191 102 HB2 LEU 12 HB2 LEU 12 25.105 -2.430 12.141 103 HB3 LEU 12 HB3 LEU 12 23.624 -2.435 13.097 104 HG LEU 12 HG LEU 12 22.319 -1.747 11.235 105 HD11 LEU 12 HD11 LEU 12 23.880 -1.615 9.002 106 HD12 LEU 12 HD12 LEU 12 24.897 -0.827 10.208 107 HD13 LEU 12 HD13 LEU 12 23.268 -0.225 9.899 108 HD21 LEU 12 HD21 LEU 12 22.380 -3.679 10.039 109 HD22 LEU 12 HD22 LEU 12 23.444 -4.152 11.364 110 HD23 LEU 12 HD23 LEU 12 24.130 -3.626 9.827 111 H LYS 13 H LYS 13 24.277 1.590 11.364 112 HA LYS 13 HA LYS 13 21.375 1.921 12.004 113 HB2 LYS 13 HB2 LYS 13 23.590 3.728 12.525 114 HB3 LYS 13 HB3 LYS 13 22.396 4.479 11.475 115 HG2 LYS 13 HG2 LYS 13 20.694 4.269 13.072 116 HG3 LYS 13 HG3 LYS 13 21.619 3.108 14.027 117 HD2 LYS 13 HD2 LYS 13 23.175 5.463 13.813 118 HD3 LYS 13 HD3 LYS 13 21.537 5.950 14.253 119 HE2 LYS 13 HE2 LYS 13 22.219 5.500 16.347 120 HE3 LYS 13 HE3 LYS 13 21.899 3.826 15.895 121 HZ1 LYS 13 HZ1 LYS 13 24.027 3.734 16.737 122 HZ2 LYS 13 HZ2 LYS 13 24.481 5.227 16.087 123 HZ3 LYS 13 HZ3 LYS 13 24.326 3.879 15.078 124 H GLY 14 H GLY 14 20.042 2.310 10.330 125 HA2 GLY 14 HA2 GLY 14 20.947 3.511 7.868 126 HA3 GLY 14 HA3 GLY 14 20.825 1.765 7.701 127 H GLU 15 H GLU 15 19.233 2.366 6.028 128 HA GLU 15 HA GLU 15 16.555 2.313 7.248 129 HB2 GLU 15 HB2 GLU 15 17.488 4.773 6.587 130 HB3 GLU 15 HB3 GLU 15 16.784 4.291 5.051 131 HG2 GLU 15 HG2 GLU 15 14.640 3.955 6.074 132 HG3 GLU 15 HG3 GLU 15 15.315 4.248 7.675 133 H THR 16 H THR 16 14.839 1.940 5.597 134 HA THR 16 HA THR 16 15.493 1.191 2.923 135 HB THR 16 HB THR 16 16.718 -0.651 4.068 136 HG1 THR 16 HG1 THR 16 15.469 -2.358 2.888 137 HG21 THR 16 HG21 THR 16 14.894 -0.725 5.938 138 HG22 THR 16 HG22 THR 16 15.707 -2.210 5.446 139 HG23 THR 16 HG23 THR 16 14.090 -1.849 4.843 140 H THR 17 H THR 17 13.707 -0.325 1.992 141 HA THR 17 HA THR 17 11.151 0.029 3.458 142 HB THR 17 HB THR 17 10.038 0.945 1.444 143 HG1 THR 17 HG1 THR 17 11.633 0.217 -0.089 144 HG21 THR 17 HG21 THR 17 11.123 2.359 3.319 145 HG22 THR 17 HG22 THR 17 10.625 3.168 1.833 146 HG23 THR 17 HG23 THR 17 12.323 2.774 2.096 147 H THR 18 H THR 18 9.314 -1.064 2.274 148 HA THR 18 HA THR 18 10.140 -3.196 0.423 149 HB THR 18 HB THR 18 10.606 -4.110 2.722 150 HG1 THR 18 HG1 THR 18 9.306 -6.064 2.283 151 HG21 THR 18 HG21 THR 18 8.543 -2.909 3.696 152 HG22 THR 18 HG22 THR 18 8.903 -4.539 4.265 153 HG23 THR 18 HG23 THR 18 7.630 -4.282 3.072 154 H LYS 19 H LYS 19 8.109 -4.755 0.147 155 HA LYS 19 HA LYS 19 5.613 -3.152 0.285 156 HB2 LYS 19 HB2 LYS 19 7.017 -4.048 -2.201 157 HB3 LYS 19 HB3 LYS 19 5.260 -4.107 -2.173 158 HG2 LYS 19 HG2 LYS 19 5.174 -1.732 -1.649 159 HG3 LYS 19 HG3 LYS 19 6.937 -1.663 -1.636 160 HD2 LYS 19 HD2 LYS 19 6.046 -0.845 -3.755 161 HD3 LYS 19 HD3 LYS 19 6.979 -2.325 -3.993 162 HE2 LYS 19 HE2 LYS 19 4.064 -2.605 -3.526 163 HE3 LYS 19 HE3 LYS 19 4.574 -1.948 -5.080 164 HZ1 LYS 19 HZ1 LYS 19 6.100 -4.242 -4.350 165 HZ2 LYS 19 HZ2 LYS 19 5.212 -3.948 -5.759 166 HZ3 LYS 19 HZ3 LYS 19 4.446 -4.595 -4.397 167 H ALA 20 H ALA 20 3.959 -4.336 0.962 168 HA ALA 20 HA ALA 20 3.829 -7.196 0.238 169 HB1 ALA 20 HB1 ALA 20 5.152 -7.013 2.379 170 HB2 ALA 20 HB2 ALA 20 3.687 -6.395 3.144 171 HB3 ALA 20 HB3 ALA 20 3.706 -8.021 2.461 172 H VAL 21 H VAL 21 1.766 -8.083 0.351 173 HA VAL 21 HA VAL 21 -0.390 -6.401 -0.183 174 HB VAL 21 HB VAL 21 -1.835 -8.374 0.581 175 HG11 VAL 21 HG11 VAL 21 -0.590 -7.884 -1.726 176 HG12 VAL 21 HG12 VAL 21 0.190 -9.412 -1.314 177 HG13 VAL 21 HG13 VAL 21 -1.566 -9.328 -1.461 178 HG21 VAL 21 HG21 VAL 21 0.855 -9.705 0.871 179 HG22 VAL 21 HG22 VAL 21 -0.179 -9.237 2.221 180 HG23 VAL 21 HG23 VAL 21 -0.729 -10.455 1.069 181 H ASP 22 H ASP 22 0.799 -7.559 2.940 182 HA ASP 22 HA ASP 22 -0.858 -5.498 4.255 183 HB2 ASP 22 HB2 ASP 22 -1.929 -6.963 5.787 184 HB3 ASP 22 HB3 ASP 22 -2.173 -7.685 4.198 185 H ALA 23 H ALA 23 -0.429 -5.942 6.845 186 HA ALA 23 HA ALA 23 2.379 -5.312 7.119 187 HB1 ALA 23 HB1 ALA 23 0.665 -4.307 8.545 188 HB2 ALA 23 HB2 ALA 23 0.302 -5.887 9.241 189 HB3 ALA 23 HB3 ALA 23 1.881 -5.147 9.508 190 H GLU 24 H GLU 24 0.371 -8.169 7.740 191 HA GLU 24 HA GLU 24 2.266 -9.659 9.235 192 HB2 GLU 24 HB2 GLU 24 0.257 -10.765 7.255 193 HB3 GLU 24 HB3 GLU 24 0.967 -11.607 8.626 194 HG2 GLU 24 HG2 GLU 24 -0.180 -10.142 10.167 195 HG3 GLU 24 HG3 GLU 24 -0.829 -9.201 8.825 196 H THR 25 H THR 25 1.523 -9.884 5.726 197 HA THR 25 HA THR 25 3.623 -11.657 5.083 198 HB THR 25 HB THR 25 2.351 -9.495 3.379 199 HG1 THR 25 HG1 THR 25 1.890 -12.306 3.421 200 HG21 THR 25 HG21 THR 25 4.371 -11.602 2.759 201 HG22 THR 25 HG22 THR 25 4.233 -9.957 2.138 202 HG23 THR 25 HG23 THR 25 3.146 -11.215 1.551 203 H ALA 26 H ALA 26 3.685 -8.266 5.835 204 HA ALA 26 HA ALA 26 6.306 -7.829 4.588 205 HB1 ALA 26 HB1 ALA 26 4.210 -6.187 5.379 206 HB2 ALA 26 HB2 ALA 26 5.499 -5.828 6.529 207 HB3 ALA 26 HB3 ALA 26 5.794 -5.671 4.797 208 H GLU 27 H GLU 27 4.960 -8.372 7.831 209 HA GLU 27 HA GLU 27 7.205 -7.777 9.391 210 HB2 GLU 27 HB2 GLU 27 4.739 -8.908 9.836 211 HB3 GLU 27 HB3 GLU 27 5.820 -10.249 10.189 212 HG2 GLU 27 HG2 GLU 27 6.840 -9.134 11.946 213 HG3 GLU 27 HG3 GLU 27 6.306 -7.552 11.382 214 H LYS 28 H LYS 28 6.392 -10.871 7.785 215 HA LYS 28 HA LYS 28 8.644 -12.325 8.690 216 HB2 LYS 28 HB2 LYS 28 6.667 -12.556 6.511 217 HB3 LYS 28 HB3 LYS 28 8.198 -13.361 6.195 218 HG2 LYS 28 HG2 LYS 28 7.547 -15.069 7.436 219 HG3 LYS 28 HG3 LYS 28 7.435 -14.005 8.840 220 HD2 LYS 28 HD2 LYS 28 5.146 -13.448 8.276 221 HD3 LYS 28 HD3 LYS 28 5.249 -14.410 6.799 222 HE2 LYS 28 HE2 LYS 28 5.314 -16.426 7.981 223 HE3 LYS 28 HE3 LYS 28 5.756 -15.631 9.491 224 HZ1 LYS 28 HZ1 LYS 28 3.332 -16.448 9.086 225 HZ2 LYS 28 HZ2 LYS 28 3.175 -14.984 8.254 226 HZ3 LYS 28 HZ3 LYS 28 3.614 -14.985 9.888 227 H ALA 29 H ALA 29 8.244 -10.114 5.943 228 HA ALA 29 HA ALA 29 10.881 -10.685 4.858 229 HB1 ALA 29 HB1 ALA 29 8.595 -8.988 4.191 230 HB2 ALA 29 HB2 ALA 29 10.153 -8.240 3.836 231 HB3 ALA 29 HB3 ALA 29 9.748 -9.809 3.138 232 H PHE 30 H PHE 30 9.553 -8.527 7.261 233 HA PHE 30 HA PHE 30 11.853 -6.728 7.239 234 HB2 PHE 30 HB2 PHE 30 9.362 -7.034 8.869 235 HB3 PHE 30 HB3 PHE 30 10.702 -6.127 9.561 236 HD1 PHE 30 HD2 PHE 30 11.809 -4.720 7.283 237 HD2 PHE 30 HD1 PHE 30 7.745 -5.506 8.274 238 HE1 PHE 30 HE2 PHE 30 11.118 -2.731 6.012 239 HE2 PHE 30 HE1 PHE 30 7.048 -3.518 7.003 240 HZ PHE 30 HZ PHE 30 8.735 -2.126 5.871 241 H LYS 31 H LYS 31 10.656 -9.390 9.295 242 HA LYS 31 HA LYS 31 12.550 -9.267 11.347 243 HB2 LYS 31 HB2 LYS 31 11.089 -11.546 10.036 244 HB3 LYS 31 HB3 LYS 31 12.274 -11.870 11.294 245 HG2 LYS 31 HG2 LYS 31 10.092 -9.886 11.766 246 HG3 LYS 31 HG3 LYS 31 9.777 -11.616 11.920 247 HD2 LYS 31 HD2 LYS 31 11.862 -11.638 13.436 248 HD3 LYS 31 HD3 LYS 31 11.642 -9.888 13.513 249 HE2 LYS 31 HE2 LYS 31 9.116 -11.086 13.952 250 HE3 LYS 31 HE3 LYS 31 10.284 -11.935 14.964 251 HZ1 LYS 31 HZ1 LYS 31 9.209 -9.313 15.261 252 HZ2 LYS 31 HZ2 LYS 31 10.899 -9.280 15.248 253 HZ3 LYS 31 HZ3 LYS 31 10.081 -10.247 16.370 254 H GLN 32 H GLN 32 12.836 -10.801 8.139 255 HA GLN 32 HA GLN 32 15.318 -12.069 8.508 256 HB2 GLN 32 HB2 GLN 32 14.065 -12.477 6.516 257 HB3 GLN 32 HB3 GLN 32 14.083 -10.777 6.069 258 HG2 GLN 32 HG2 GLN 32 15.972 -11.028 4.949 259 HG3 GLN 32 HG3 GLN 32 16.766 -11.752 6.347 260 HE21 GLN 32 HE21 GLN 32 17.877 -13.274 5.179 261 HE22 GLN 32 HE22 GLN 32 17.109 -14.607 4.394 262 H TYR 33 H TYR 33 14.688 -8.774 7.232 263 HA TYR 33 HA TYR 33 17.357 -7.999 6.865 264 HB2 TYR 33 HB2 TYR 33 15.035 -6.774 6.448 265 HB3 TYR 33 HB3 TYR 33 15.426 -6.003 7.981 266 HD1 TYR 33 HD1 TYR 33 17.509 -4.648 8.180 267 HD2 TYR 33 HD2 TYR 33 16.165 -6.174 4.443 268 HE1 TYR 33 HE1 TYR 33 18.969 -3.052 7.010 269 HE2 TYR 33 HE2 TYR 33 17.622 -4.583 3.262 270 HH TYR 33 HH TYR 33 19.629 -2.257 5.047 271 H ALA 34 H ALA 34 15.460 -8.230 9.820 272 HA ALA 34 HA ALA 34 17.287 -6.714 11.463 273 HB1 ALA 34 HB1 ALA 34 14.814 -8.144 11.793 274 HB2 ALA 34 HB2 ALA 34 15.934 -8.569 13.088 275 HB3 ALA 34 HB3 ALA 34 15.519 -6.879 12.799 276 H ASN 35 H ASN 35 16.671 -10.248 11.205 277 HA ASN 35 HA ASN 35 18.846 -11.009 12.868 278 HB2 ASN 35 HB2 ASN 35 17.085 -12.347 10.881 279 HB3 ASN 35 HB3 ASN 35 18.609 -13.155 11.237 280 HD21 ASN 35 HD21 ASN 35 17.167 -14.823 12.068 281 HD22 ASN 35 HD22 ASN 35 16.598 -14.695 13.695 282 H ASP 36 H ASP 36 18.614 -10.732 9.306 283 HA ASP 36 HA ASP 36 21.201 -11.621 8.670 284 HB2 ASP 36 HB2 ASP 36 19.081 -10.559 7.273 285 HB3 ASP 36 HB3 ASP 36 20.302 -9.302 7.092 286 H ASN 37 H ASN 37 20.103 -8.451 9.816 287 HA ASN 37 HA ASN 37 22.845 -7.373 9.565 288 HB2 ASN 37 HB2 ASN 37 20.138 -6.237 10.158 289 HB3 ASN 37 HB3 ASN 37 21.556 -5.363 10.732 290 HD21 ASN 37 HD21 ASN 37 23.359 -5.615 8.804 291 HD22 ASN 37 HD22 ASN 37 22.789 -4.948 7.316 292 H GLY 38 H GLY 38 21.138 -9.228 11.751 293 HA2 GLY 38 HA2 GLY 38 21.775 -9.903 13.886 294 HA3 GLY 38 HA3 GLY 38 23.154 -8.817 13.797 295 H VAL 39 H VAL 39 20.294 -7.192 13.057 296 HA VAL 39 HA VAL 39 20.304 -5.994 15.783 297 HB VAL 39 HB VAL 39 19.174 -4.996 13.158 298 HG11 VAL 39 HG11 VAL 39 18.506 -4.282 15.882 299 HG12 VAL 39 HG12 VAL 39 19.148 -2.907 14.982 300 HG13 VAL 39 HG13 VAL 39 17.748 -3.788 14.369 301 HG21 VAL 39 HG21 VAL 39 21.631 -4.467 14.734 302 HG22 VAL 39 HG22 VAL 39 21.394 -4.510 12.987 303 HG23 VAL 39 HG23 VAL 39 20.875 -3.102 13.912 304 H ASP 40 H ASP 40 18.913 -6.878 17.154 305 HA ASP 40 HA ASP 40 16.123 -7.287 16.182 306 HB2 ASP 40 HB2 ASP 40 17.312 -9.481 16.267 307 HB3 ASP 40 HB3 ASP 40 17.609 -9.223 17.984 308 H GLY 41 H GLY 41 14.530 -7.439 17.970 309 HA2 GLY 41 HA2 GLY 41 14.773 -6.985 20.608 310 HA3 GLY 41 HA3 GLY 41 15.236 -5.406 19.991 311 H VAL 42 H VAL 42 13.692 -3.941 19.771 312 HA VAL 42 HA VAL 42 10.893 -4.861 20.011 313 HB VAL 42 HB VAL 42 11.964 -2.030 19.898 314 HG11 VAL 42 HG11 VAL 42 9.556 -2.354 19.348 315 HG12 VAL 42 HG12 VAL 42 9.333 -3.058 20.951 316 HG13 VAL 42 HG13 VAL 42 9.837 -1.375 20.788 317 HG21 VAL 42 HG21 VAL 42 12.961 -2.969 21.804 318 HG22 VAL 42 HG22 VAL 42 11.523 -2.148 22.409 319 HG23 VAL 42 HG23 VAL 42 11.518 -3.900 22.207 320 H TRP 43 H TRP 43 9.336 -4.674 18.483 321 HA TRP 43 HA TRP 43 10.078 -3.332 15.931 322 HB2 TRP 43 HB2 TRP 43 9.473 -6.215 16.347 323 HB3 TRP 43 HB3 TRP 43 8.715 -5.450 14.954 324 HD1 TRP 43 HD1 TRP 43 12.041 -6.722 16.215 325 HE1 TRP 43 HE1 TRP 43 13.795 -6.524 14.342 326 HE3 TRP 43 HE3 TRP 43 9.353 -3.933 12.878 327 HZ2 TRP 43 HZ2 TRP 43 14.011 -5.341 11.787 328 HZ3 TRP 43 HZ3 TRP 43 10.406 -3.311 10.743 329 HH2 TRP 43 HH2 TRP 43 12.687 -4.001 10.211 330 H THR 44 H THR 44 8.670 -1.651 16.429 331 HA THR 44 HA THR 44 5.805 -2.405 16.751 332 HB THR 44 HB THR 44 5.518 0.058 17.271 333 HG1 THR 44 HG1 THR 44 7.811 0.382 16.290 334 HG21 THR 44 HG21 THR 44 5.595 -1.560 19.063 335 HG22 THR 44 HG22 THR 44 6.511 -0.131 19.542 336 HG23 THR 44 HG23 THR 44 7.357 -1.585 19.013 337 H TYR 45 H TYR 45 4.189 -1.052 15.611 338 HA TYR 45 HA TYR 45 5.120 0.218 13.126 339 HB2 TYR 45 HB2 TYR 45 4.447 -1.347 11.636 340 HB3 TYR 45 HB3 TYR 45 4.627 -2.464 12.984 341 HD1 TYR 45 HD2 TYR 45 2.559 -2.976 14.389 342 HD2 TYR 45 HD1 TYR 45 2.365 -1.045 10.602 343 HE1 TYR 45 HE2 TYR 45 0.182 -3.583 14.207 344 HE2 TYR 45 HE1 TYR 45 -0.013 -1.645 10.411 345 HH TYR 45 HH TYR 45 -1.594 -3.679 12.828 346 H ASP 46 H ASP 46 3.694 1.688 12.303 347 HA ASP 46 HA ASP 46 1.134 1.954 13.831 348 HB2 ASP 46 HB2 ASP 46 2.489 3.814 14.407 349 HB3 ASP 46 HB3 ASP 46 3.031 4.041 12.747 350 H ASP 47 H ASP 47 -0.243 0.886 12.479 351 HA ASP 47 HA ASP 47 -0.235 0.877 9.689 352 HB2 ASP 47 HB2 ASP 47 -2.408 0.031 9.809 353 HB3 ASP 47 HB3 ASP 47 -1.766 -0.351 11.404 354 H ALA 48 H ALA 48 -1.257 3.410 11.886 355 HA ALA 48 HA ALA 48 -2.920 4.946 10.243 356 HB1 ALA 48 HB1 ALA 48 -1.783 5.270 12.698 357 HB2 ALA 48 HB2 ALA 48 -0.953 6.515 11.764 358 HB3 ALA 48 HB3 ALA 48 -2.715 6.504 11.848 359 H THR 49 H THR 49 0.655 4.955 10.406 360 HA THR 49 HA THR 49 0.629 6.302 7.735 361 HB THR 49 HB THR 49 2.524 7.635 8.313 362 HG1 THR 49 HG1 THR 49 3.668 6.198 9.629 363 HG21 THR 49 HG21 THR 49 1.662 9.045 10.077 364 HG22 THR 49 HG22 THR 49 0.649 7.732 10.678 365 HG23 THR 49 HG23 THR 49 0.316 8.453 9.104 366 H LYS 50 H LYS 50 0.771 3.458 8.458 367 HA LYS 50 HA LYS 50 2.187 1.616 8.229 368 HB2 LYS 50 HB2 LYS 50 3.283 1.717 5.875 369 HB3 LYS 50 HB3 LYS 50 1.529 1.764 5.998 370 HG2 LYS 50 HG2 LYS 50 1.625 4.229 5.797 371 HG3 LYS 50 HG3 LYS 50 3.368 4.105 5.549 372 HD2 LYS 50 HD2 LYS 50 2.869 3.968 3.370 373 HD3 LYS 50 HD3 LYS 50 2.381 2.309 3.727 374 HE2 LYS 50 HE2 LYS 50 0.086 3.227 4.236 375 HE3 LYS 50 HE3 LYS 50 0.638 4.759 3.561 376 HZ1 LYS 50 HZ1 LYS 50 0.319 2.164 2.175 377 HZ2 LYS 50 HZ2 LYS 50 1.225 3.430 1.513 378 HZ3 LYS 50 HZ3 LYS 50 -0.426 3.640 1.817 379 H THR 51 H THR 51 3.436 3.310 9.970 380 HA THR 51 HA THR 51 6.254 3.418 8.989 381 HB THR 51 HB THR 51 4.933 4.797 11.345 382 HG1 THR 51 HG1 THR 51 5.862 5.646 8.801 383 HG21 THR 51 HG21 THR 51 7.713 4.185 10.826 384 HG22 THR 51 HG22 THR 51 6.971 4.913 12.251 385 HG23 THR 51 HG23 THR 51 7.440 5.926 10.886 386 H PHE 52 H PHE 52 7.570 1.844 9.577 387 HA PHE 52 HA PHE 52 6.896 0.337 12.067 388 HB2 PHE 52 HB2 PHE 52 8.330 -0.457 9.529 389 HB3 PHE 52 HB3 PHE 52 8.464 -1.407 11.004 390 HD1 PHE 52 HD2 PHE 52 5.741 0.215 9.027 391 HD2 PHE 52 HD1 PHE 52 7.100 -3.237 11.114 392 HE1 PHE 52 HE2 PHE 52 3.647 -0.947 8.463 393 HE2 PHE 52 HE1 PHE 52 5.009 -4.405 10.552 394 HZ PHE 52 HZ PHE 52 3.278 -3.259 9.226 395 H THR 53 H THR 53 8.369 0.060 13.672 396 HA THR 53 HA THR 53 11.005 1.420 13.267 397 HB THR 53 HB THR 53 9.639 1.315 15.949 398 HG1 THR 53 HG1 THR 53 9.437 3.561 14.241 399 HG21 THR 53 HG21 THR 53 11.996 1.906 15.917 400 HG22 THR 53 HG22 THR 53 11.028 3.320 16.337 401 HG23 THR 53 HG23 THR 53 11.689 3.155 14.711 402 H VAL 54 H VAL 54 12.809 0.409 13.994 403 HA VAL 54 HA VAL 54 12.380 -2.181 15.433 404 HB VAL 54 HB VAL 54 12.940 -2.796 13.202 405 HG11 VAL 54 HG11 VAL 54 13.887 -1.253 11.902 406 HG12 VAL 54 HG12 VAL 54 14.559 -0.390 13.287 407 HG13 VAL 54 HG13 VAL 54 15.429 -1.758 12.591 408 HG21 VAL 54 HG21 VAL 54 15.566 -2.887 14.668 409 HG22 VAL 54 HG22 VAL 54 14.186 -3.892 15.112 410 HG23 VAL 54 HG23 VAL 54 14.919 -4.056 13.517 411 H THR 55 H THR 55 13.022 -1.708 17.450 412 HA THR 55 HA THR 55 15.530 -0.145 17.791 413 HB THR 55 HB THR 55 13.717 -1.083 20.016 414 HG1 THR 55 HG1 THR 55 13.470 1.239 18.382 415 HG21 THR 55 HG21 THR 55 14.628 1.278 20.816 416 HG22 THR 55 HG22 THR 55 15.928 0.880 19.692 417 HG23 THR 55 HG23 THR 55 15.564 -0.200 21.038 418 H GLU 56 H GLU 56 17.128 -0.849 19.368 419 HA GLU 56 HA GLU 56 17.311 -3.835 19.409 420 HB2 GLU 56 HB2 GLU 56 19.153 -1.814 18.543 421 HB3 GLU 56 HB3 GLU 56 19.844 -2.645 19.929 422 HG2 GLU 56 HG2 GLU 56 18.716 -4.578 18.167 423 HG3 GLU 56 HG3 GLU 56 19.753 -3.493 17.244 Start of MODEL 32 1 H1 MET 1 H MET 1 -0.604 0.360 -0.101 2 HA MET 1 HA MET 1 1.061 -1.489 -0.367 3 HB2 MET 1 HB2 MET 1 0.592 0.536 -2.523 4 HB3 MET 1 HB3 MET 1 1.679 -0.813 -2.821 5 HG2 MET 1 HG2 MET 1 -0.078 -2.393 -2.402 6 HG3 MET 1 HG3 MET 1 -1.174 -1.102 -1.914 7 HE1 MET 1 HE1 MET 1 1.157 -2.364 -4.440 8 HE2 MET 1 HE2 MET 1 0.091 -2.717 -5.801 9 HE3 MET 1 HE3 MET 1 0.972 -1.190 -5.743 10 H GLN 2 H GLN 2 2.308 0.638 1.245 11 HA GLN 2 HA GLN 2 5.060 0.081 0.440 12 HB2 GLN 2 HB2 GLN 2 3.891 2.445 -0.521 13 HB3 GLN 2 HB3 GLN 2 4.870 2.947 0.851 14 HG2 GLN 2 HG2 GLN 2 6.841 2.087 -0.114 15 HG3 GLN 2 HG3 GLN 2 5.940 1.202 -1.344 16 HE21 GLN 2 HE21 GLN 2 7.179 2.204 -2.962 17 HE22 GLN 2 HE22 GLN 2 6.886 3.839 -3.437 18 H TYR 3 H TYR 3 6.268 -0.194 2.195 19 HA TYR 3 HA TYR 3 5.243 1.007 4.737 20 HB2 TYR 3 HB2 TYR 3 6.668 -1.619 4.239 21 HB3 TYR 3 HB3 TYR 3 6.421 -0.938 5.843 22 HD1 TYR 3 HD1 TYR 3 3.859 -0.209 6.269 23 HD2 TYR 3 HD2 TYR 3 5.157 -3.211 3.548 24 HE1 TYR 3 HE1 TYR 3 1.637 -1.258 6.376 25 HE2 TYR 3 HE2 TYR 3 2.938 -4.268 3.646 26 HH TYR 3 HH TYR 3 0.704 -3.809 4.224 27 H LYS 4 H LYS 4 6.699 1.870 6.209 28 HA LYS 4 HA LYS 4 9.423 2.359 5.067 29 HB2 LYS 4 HB2 LYS 4 8.076 4.396 5.157 30 HB3 LYS 4 HB3 LYS 4 7.735 4.128 6.862 31 HG2 LYS 4 HG2 LYS 4 9.458 5.838 6.494 32 HG3 LYS 4 HG3 LYS 4 10.056 4.462 7.424 33 HD2 LYS 4 HD2 LYS 4 11.475 3.800 5.783 34 HD3 LYS 4 HD3 LYS 4 10.390 4.314 4.489 35 HE2 LYS 4 HE2 LYS 4 11.007 6.712 5.425 36 HE3 LYS 4 HE3 LYS 4 12.446 5.859 5.983 37 HZ1 LYS 4 HZ1 LYS 4 13.061 6.574 3.900 38 HZ2 LYS 4 HZ2 LYS 4 11.528 6.335 3.228 39 HZ3 LYS 4 HZ3 LYS 4 12.521 5.007 3.563 40 H LEU 5 H LEU 5 11.188 1.958 6.285 41 HA LEU 5 HA LEU 5 10.717 1.200 9.135 42 HB2 LEU 5 HB2 LEU 5 10.911 -0.871 7.995 43 HB3 LEU 5 HB3 LEU 5 12.268 -0.297 7.027 44 HG LEU 5 HG LEU 5 13.584 -0.188 9.194 45 HD11 LEU 5 HD11 LEU 5 12.610 -1.942 10.857 46 HD12 LEU 5 HD12 LEU 5 11.067 -1.483 10.138 47 HD13 LEU 5 HD13 LEU 5 12.069 -0.264 10.925 48 HD21 LEU 5 HD21 LEU 5 12.848 -3.016 8.827 49 HD22 LEU 5 HD22 LEU 5 14.423 -2.228 8.733 50 HD23 LEU 5 HD23 LEU 5 13.314 -2.149 7.364 51 H VAL 6 H VAL 6 12.421 1.574 10.570 52 HA VAL 6 HA VAL 6 14.732 3.086 9.438 53 HB VAL 6 HB VAL 6 13.099 3.936 11.845 54 HG11 VAL 6 HG11 VAL 6 15.651 5.008 10.663 55 HG12 VAL 6 HG12 VAL 6 14.633 5.935 11.767 56 HG13 VAL 6 HG13 VAL 6 15.374 4.427 12.304 57 HG21 VAL 6 HG21 VAL 6 12.789 6.014 10.414 58 HG22 VAL 6 HG22 VAL 6 13.366 5.041 9.061 59 HG23 VAL 6 HG23 VAL 6 11.899 4.574 9.920 60 H ILE 7 H ILE 7 16.477 1.946 9.920 61 HA ILE 7 HA ILE 7 16.502 0.327 12.395 62 HB ILE 7 HB ILE 7 18.524 0.530 10.150 63 HG12 ILE 7 HG12 ILE 7 16.991 -1.953 10.659 64 HG13 ILE 7 HG13 ILE 7 16.076 -0.603 9.997 65 HG21 ILE 7 HG21 ILE 7 19.826 -0.203 11.887 66 HG22 ILE 7 HG22 ILE 7 18.479 -0.988 12.710 67 HG23 ILE 7 HG23 ILE 7 19.201 -1.738 11.286 68 HD11 ILE 7 HD11 ILE 7 18.083 -0.512 8.303 69 HD12 ILE 7 HD12 ILE 7 18.253 -2.203 8.775 70 HD13 ILE 7 HD13 ILE 7 16.738 -1.630 8.079 71 H ASN 8 H ASN 8 17.052 1.333 14.209 72 HA ASN 8 HA ASN 8 19.311 3.289 14.051 73 HB2 ASN 8 HB2 ASN 8 16.840 3.205 15.777 74 HB3 ASN 8 HB3 ASN 8 18.271 4.092 16.295 75 HD21 ASN 8 HD21 ASN 8 19.210 5.382 14.272 76 HD22 ASN 8 HD22 ASN 8 18.039 6.403 13.515 77 H GLY 9 H GLY 9 20.488 1.089 14.124 78 HA2 GLY 9 HA2 GLY 9 20.531 -0.227 16.720 79 HA3 GLY 9 HA3 GLY 9 21.617 -0.525 15.371 80 H LYS 10 H LYS 10 22.075 -0.196 18.315 81 HA LYS 10 HA LYS 10 23.257 2.259 18.951 82 HB2 LYS 10 HB2 LYS 10 24.552 1.045 20.611 83 HB3 LYS 10 HB3 LYS 10 22.925 0.380 20.531 84 HG2 LYS 10 HG2 LYS 10 23.682 -1.530 19.326 85 HG3 LYS 10 HG3 LYS 10 25.287 -0.828 19.113 86 HD2 LYS 10 HD2 LYS 10 25.759 -1.015 21.445 87 HD3 LYS 10 HD3 LYS 10 24.088 -1.453 21.806 88 HE2 LYS 10 HE2 LYS 10 25.127 -3.260 19.855 89 HE3 LYS 10 HE3 LYS 10 26.259 -3.161 21.203 90 HZ1 LYS 10 HZ1 LYS 10 24.012 -3.385 22.550 91 HZ2 LYS 10 HZ2 LYS 10 24.871 -4.738 22.009 92 HZ3 LYS 10 HZ3 LYS 10 23.528 -4.187 21.141 93 H THR 11 H THR 11 24.406 -0.279 16.838 94 HA THR 11 HA THR 11 26.907 1.315 16.424 95 HB THR 11 HB THR 11 27.970 -0.821 15.676 96 HG1 THR 11 HG1 THR 11 26.918 -2.750 16.048 97 HG21 THR 11 HG21 THR 11 27.221 -1.612 18.363 98 HG22 THR 11 HG22 THR 11 27.552 0.117 18.258 99 HG23 THR 11 HG23 THR 11 28.774 -1.048 17.748 100 H LEU 12 H LEU 12 24.475 -0.827 14.920 101 HA LEU 12 HA LEU 12 25.306 0.221 12.259 102 HB2 LEU 12 HB2 LEU 12 25.223 -2.112 12.199 103 HB3 LEU 12 HB3 LEU 12 23.759 -2.183 13.178 104 HG LEU 12 HG LEU 12 22.402 -1.520 11.330 105 HD11 LEU 12 HD11 LEU 12 24.949 -0.573 10.255 106 HD12 LEU 12 HD12 LEU 12 23.306 -0.008 9.953 107 HD13 LEU 12 HD13 LEU 12 23.934 -1.403 9.075 108 HD21 LEU 12 HD21 LEU 12 23.587 -3.902 11.482 109 HD22 LEU 12 HD22 LEU 12 24.216 -3.388 9.916 110 HD23 LEU 12 HD23 LEU 12 22.474 -3.477 10.182 111 H LYS 13 H LYS 13 24.217 1.832 11.388 112 HA LYS 13 HA LYS 13 21.322 2.087 12.098 113 HB2 LYS 13 HB2 LYS 13 23.498 3.993 12.437 114 HB3 LYS 13 HB3 LYS 13 22.218 4.650 11.424 115 HG2 LYS 13 HG2 LYS 13 20.742 4.762 13.125 116 HG3 LYS 13 HG3 LYS 13 21.347 3.293 13.893 117 HD2 LYS 13 HD2 LYS 13 23.126 4.434 14.921 118 HD3 LYS 13 HD3 LYS 13 22.937 5.843 13.874 119 HE2 LYS 13 HE2 LYS 13 21.164 6.660 15.065 120 HE3 LYS 13 HE3 LYS 13 20.644 5.062 15.596 121 HZ1 LYS 13 HZ1 LYS 13 21.855 6.792 17.190 122 HZ2 LYS 13 HZ2 LYS 13 23.216 5.982 16.597 123 HZ3 LYS 13 HZ3 LYS 13 21.993 5.117 17.384 124 H GLY 14 H GLY 14 19.924 2.324 10.453 125 HA2 GLY 14 HA2 GLY 14 20.744 3.419 7.897 126 HA3 GLY 14 HA3 GLY 14 20.589 1.670 7.839 127 H GLU 15 H GLU 15 18.962 2.380 6.160 128 HA GLU 15 HA GLU 15 16.324 2.231 7.428 129 HB2 GLU 15 HB2 GLU 15 17.367 4.740 6.297 130 HB3 GLU 15 HB3 GLU 15 15.807 4.258 5.643 131 HG2 GLU 15 HG2 GLU 15 14.728 4.535 7.627 132 HG3 GLU 15 HG3 GLU 15 16.163 4.177 8.586 133 H THR 16 H THR 16 14.799 1.299 6.137 134 HA THR 16 HA THR 16 15.322 1.039 3.249 135 HB THR 16 HB THR 16 16.595 -0.849 4.102 136 HG1 THR 16 HG1 THR 16 15.489 -2.473 2.947 137 HG21 THR 16 HG21 THR 16 14.879 -2.666 5.178 138 HG22 THR 16 HG22 THR 16 14.251 -1.161 5.849 139 HG23 THR 16 HG23 THR 16 15.934 -1.612 6.118 140 H THR 17 H THR 17 13.538 -0.170 2.139 141 HA THR 17 HA THR 17 10.996 -0.038 3.693 142 HB THR 17 HB THR 17 9.986 0.859 1.453 143 HG1 THR 17 HG1 THR 17 11.672 0.977 0.087 144 HG21 THR 17 HG21 THR 17 9.635 2.618 2.773 145 HG22 THR 17 HG22 THR 17 11.278 3.182 2.469 146 HG23 THR 17 HG23 THR 17 10.954 2.097 3.821 147 H THR 18 H THR 18 9.193 -1.177 2.653 148 HA THR 18 HA THR 18 9.844 -3.033 0.488 149 HB THR 18 HB THR 18 10.791 -4.116 2.585 150 HG1 THR 18 HG1 THR 18 8.888 -5.255 0.858 151 HG21 THR 18 HG21 THR 18 8.075 -4.998 3.344 152 HG22 THR 18 HG22 THR 18 8.509 -3.349 3.796 153 HG23 THR 18 HG23 THR 18 9.494 -4.704 4.348 154 H LYS 19 H LYS 19 8.059 -3.755 -0.562 155 HA LYS 19 HA LYS 19 5.483 -2.679 0.445 156 HB2 LYS 19 HB2 LYS 19 4.726 -2.737 -1.758 157 HB3 LYS 19 HB3 LYS 19 6.432 -2.358 -1.954 158 HG2 LYS 19 HG2 LYS 19 6.511 -5.055 -2.068 159 HG3 LYS 19 HG3 LYS 19 4.918 -4.742 -2.760 160 HD2 LYS 19 HD2 LYS 19 6.756 -2.873 -3.866 161 HD3 LYS 19 HD3 LYS 19 7.464 -4.485 -3.990 162 HE2 LYS 19 HE2 LYS 19 5.454 -5.300 -5.092 163 HE3 LYS 19 HE3 LYS 19 4.697 -3.717 -4.918 164 HZ1 LYS 19 HZ1 LYS 19 6.933 -3.050 -6.183 165 HZ2 LYS 19 HZ2 LYS 19 5.500 -3.448 -6.988 166 HZ3 LYS 19 HZ3 LYS 19 6.717 -4.609 -6.805 167 H ALA 20 H ALA 20 3.643 -3.908 0.751 168 HA ALA 20 HA ALA 20 3.673 -6.778 0.237 169 HB1 ALA 20 HB1 ALA 20 4.638 -7.375 2.163 170 HB2 ALA 20 HB2 ALA 20 4.479 -5.760 2.854 171 HB3 ALA 20 HB3 ALA 20 3.128 -6.891 2.934 172 H VAL 21 H VAL 21 1.650 -7.622 0.148 173 HA VAL 21 HA VAL 21 -0.559 -5.939 -0.154 174 HB VAL 21 HB VAL 21 -1.944 -8.036 0.298 175 HG11 VAL 21 HG11 VAL 21 -0.813 -9.234 -1.724 176 HG12 VAL 21 HG12 VAL 21 -1.545 -7.642 -1.939 177 HG13 VAL 21 HG13 VAL 21 0.204 -7.793 -1.763 178 HG21 VAL 21 HG21 VAL 21 0.752 -9.375 0.402 179 HG22 VAL 21 HG22 VAL 21 -0.224 -9.039 1.833 180 HG23 VAL 21 HG23 VAL 21 -0.834 -10.123 0.583 181 H ASP 22 H ASP 22 0.744 -7.399 2.774 182 HA ASP 22 HA ASP 22 -1.088 -5.688 4.347 183 HB2 ASP 22 HB2 ASP 22 -1.421 -7.724 5.918 184 HB3 ASP 22 HB3 ASP 22 -2.389 -7.634 4.449 185 H ALA 23 H ALA 23 -0.504 -5.890 6.771 186 HA ALA 23 HA ALA 23 2.328 -5.295 6.960 187 HB1 ALA 23 HB1 ALA 23 0.964 -5.690 9.502 188 HB2 ALA 23 HB2 ALA 23 1.730 -4.247 8.838 189 HB3 ALA 23 HB3 ALA 23 0.065 -4.638 8.408 190 H GLU 24 H GLU 24 0.336 -8.108 7.474 191 HA GLU 24 HA GLU 24 2.017 -9.513 9.296 192 HB2 GLU 24 HB2 GLU 24 0.375 -10.801 7.108 193 HB3 GLU 24 HB3 GLU 24 0.786 -11.459 8.686 194 HG2 GLU 24 HG2 GLU 24 -0.549 -9.195 9.378 195 HG3 GLU 24 HG3 GLU 24 -1.385 -9.664 7.898 196 H THR 25 H THR 25 1.752 -9.860 5.728 197 HA THR 25 HA THR 25 4.041 -11.567 5.521 198 HB THR 25 HB THR 25 2.355 -11.463 3.756 199 HG1 THR 25 HG1 THR 25 3.828 -11.360 2.003 200 HG21 THR 25 HG21 THR 25 2.613 -8.687 4.041 201 HG22 THR 25 HG22 THR 25 1.591 -9.553 2.893 202 HG23 THR 25 HG23 THR 25 3.217 -9.056 2.427 203 H ALA 26 H ALA 26 3.656 -8.100 5.708 204 HA ALA 26 HA ALA 26 6.184 -7.378 4.551 205 HB1 ALA 26 HB1 ALA 26 5.099 -5.661 6.698 206 HB2 ALA 26 HB2 ALA 26 5.587 -5.258 5.051 207 HB3 ALA 26 HB3 ALA 26 4.011 -5.992 5.350 208 H GLU 27 H GLU 27 5.126 -7.970 7.918 209 HA GLU 27 HA GLU 27 7.564 -7.302 9.181 210 HB2 GLU 27 HB2 GLU 27 5.271 -9.110 9.862 211 HB3 GLU 27 HB3 GLU 27 6.714 -9.148 10.864 212 HG2 GLU 27 HG2 GLU 27 6.446 -6.935 11.546 213 HG3 GLU 27 HG3 GLU 27 5.328 -6.571 10.233 214 H LYS 28 H LYS 28 6.474 -10.346 7.702 215 HA LYS 28 HA LYS 28 8.627 -11.975 8.569 216 HB2 LYS 28 HB2 LYS 28 6.607 -12.053 6.401 217 HB3 LYS 28 HB3 LYS 28 8.046 -13.027 6.133 218 HG2 LYS 28 HG2 LYS 28 6.850 -14.582 7.230 219 HG3 LYS 28 HG3 LYS 28 7.478 -13.748 8.654 220 HD2 LYS 28 HD2 LYS 28 5.371 -12.275 8.444 221 HD3 LYS 28 HD3 LYS 28 4.759 -13.561 7.401 222 HE2 LYS 28 HE2 LYS 28 4.222 -14.788 9.173 223 HE3 LYS 28 HE3 LYS 28 5.881 -14.714 9.764 224 HZ1 LYS 28 HZ1 LYS 28 4.752 -13.723 11.469 225 HZ2 LYS 28 HZ2 LYS 28 3.585 -13.026 10.463 226 HZ3 LYS 28 HZ3 LYS 28 5.137 -12.359 10.545 227 H ALA 29 H ALA 29 8.344 -9.686 5.887 228 HA ALA 29 HA ALA 29 10.931 -10.482 4.760 229 HB1 ALA 29 HB1 ALA 29 9.002 -8.247 4.128 230 HB2 ALA 29 HB2 ALA 29 10.533 -8.479 3.283 231 HB3 ALA 29 HB3 ALA 29 9.289 -9.728 3.213 232 H PHE 30 H PHE 30 9.596 -7.744 6.623 233 HA PHE 30 HA PHE 30 11.980 -6.184 6.636 234 HB2 PHE 30 HB2 PHE 30 9.444 -6.265 8.166 235 HB3 PHE 30 HB3 PHE 30 10.802 -5.510 8.994 236 HD1 PHE 30 HD2 PHE 30 12.231 -4.151 6.887 237 HD2 PHE 30 HD1 PHE 30 8.036 -4.589 7.460 238 HE1 PHE 30 HE2 PHE 30 11.845 -2.075 5.625 239 HE2 PHE 30 HE1 PHE 30 7.644 -2.514 6.198 240 HZ PHE 30 HZ PHE 30 9.550 -1.253 5.279 241 H LYS 31 H LYS 31 10.738 -8.635 8.918 242 HA LYS 31 HA LYS 31 12.684 -8.406 10.915 243 HB2 LYS 31 HB2 LYS 31 11.134 -10.754 9.838 244 HB3 LYS 31 HB3 LYS 31 12.300 -10.970 11.137 245 HG2 LYS 31 HG2 LYS 31 9.989 -9.045 11.243 246 HG3 LYS 31 HG3 LYS 31 9.958 -10.682 11.904 247 HD2 LYS 31 HD2 LYS 31 12.130 -9.887 13.142 248 HD3 LYS 31 HD3 LYS 31 11.467 -8.280 12.835 249 HE2 LYS 31 HE2 LYS 31 9.750 -10.416 14.035 250 HE3 LYS 31 HE3 LYS 31 10.883 -9.521 15.046 251 HZ1 LYS 31 HZ1 LYS 31 8.633 -8.420 13.458 252 HZ2 LYS 31 HZ2 LYS 31 9.816 -7.455 14.186 253 HZ3 LYS 31 HZ3 LYS 31 8.804 -8.416 15.142 254 H GLN 32 H GLN 32 12.848 -10.131 7.809 255 HA GLN 32 HA GLN 32 15.218 -11.564 8.181 256 HB2 GLN 32 HB2 GLN 32 13.843 -11.749 6.172 257 HB3 GLN 32 HB3 GLN 32 14.271 -10.112 5.694 258 HG2 GLN 32 HG2 GLN 32 15.959 -10.946 4.541 259 HG3 GLN 32 HG3 GLN 32 16.698 -11.449 6.061 260 HE21 GLN 32 HE21 GLN 32 16.901 -12.733 3.503 261 HE22 GLN 32 HE22 GLN 32 16.251 -14.323 3.683 262 H TYR 33 H TYR 33 14.877 -8.208 6.959 263 HA TYR 33 HA TYR 33 17.623 -7.679 6.629 264 HB2 TYR 33 HB2 TYR 33 15.478 -6.260 6.082 265 HB3 TYR 33 HB3 TYR 33 15.773 -5.550 7.665 266 HD1 TYR 33 HD2 TYR 33 17.181 -6.026 4.286 267 HD2 TYR 33 HD1 TYR 33 17.549 -3.998 8.009 268 HE1 TYR 33 HE2 TYR 33 18.838 -4.506 3.288 269 HE2 TYR 33 HE1 TYR 33 19.205 -2.472 7.021 270 HH TYR 33 HH TYR 33 19.700 -1.649 4.542 271 H ALA 34 H ALA 34 15.670 -7.844 9.528 272 HA ALA 34 HA ALA 34 17.544 -6.427 11.223 273 HB1 ALA 34 HB1 ALA 34 15.928 -8.317 12.673 274 HB2 ALA 34 HB2 ALA 34 15.858 -6.554 12.666 275 HB3 ALA 34 HB3 ALA 34 14.950 -7.477 11.469 276 H ASN 35 H ASN 35 16.721 -9.906 10.859 277 HA ASN 35 HA ASN 35 18.787 -10.826 12.596 278 HB2 ASN 35 HB2 ASN 35 17.047 -12.050 10.495 279 HB3 ASN 35 HB3 ASN 35 18.457 -12.963 11.025 280 HD21 ASN 35 HD21 ASN 35 16.849 -14.492 11.774 281 HD22 ASN 35 HD22 ASN 35 16.121 -14.257 13.324 282 H ASP 36 H ASP 36 18.657 -10.547 9.027 283 HA ASP 36 HA ASP 36 21.187 -11.593 8.441 284 HB2 ASP 36 HB2 ASP 36 19.499 -9.464 7.143 285 HB3 ASP 36 HB3 ASP 36 21.092 -9.852 6.499 286 H ASN 37 H ASN 37 20.298 -8.310 9.488 287 HA ASN 37 HA ASN 37 23.109 -7.444 9.339 288 HB2 ASN 37 HB2 ASN 37 20.478 -6.139 9.926 289 HB3 ASN 37 HB3 ASN 37 21.943 -5.373 10.533 290 HD21 ASN 37 HD21 ASN 37 20.194 -6.366 7.687 291 HD22 ASN 37 HD22 ASN 37 21.067 -5.381 6.567 292 H GLY 38 H GLY 38 21.133 -9.095 11.533 293 HA2 GLY 38 HA2 GLY 38 21.737 -9.881 13.648 294 HA3 GLY 38 HA3 GLY 38 23.200 -8.910 13.585 295 H VAL 39 H VAL 39 20.489 -7.054 12.830 296 HA VAL 39 HA VAL 39 20.578 -5.867 15.556 297 HB VAL 39 HB VAL 39 19.533 -4.806 12.922 298 HG11 VAL 39 HG11 VAL 39 19.433 -2.658 14.499 299 HG12 VAL 39 HG12 VAL 39 18.055 -3.738 14.276 300 HG13 VAL 39 HG13 VAL 39 19.079 -3.896 15.704 301 HG21 VAL 39 HG21 VAL 39 21.952 -4.321 14.600 302 HG22 VAL 39 HG22 VAL 39 21.816 -4.512 12.852 303 HG23 VAL 39 HG23 VAL 39 21.304 -3.008 13.617 304 H ASP 40 H ASP 40 19.150 -6.701 16.928 305 HA ASP 40 HA ASP 40 16.325 -6.872 15.992 306 HB2 ASP 40 HB2 ASP 40 17.371 -9.152 15.998 307 HB3 ASP 40 HB3 ASP 40 17.663 -8.971 17.726 308 H GLY 41 H GLY 41 14.764 -7.010 17.834 309 HA2 GLY 41 HA2 GLY 41 15.289 -6.554 20.495 310 HA3 GLY 41 HA3 GLY 41 15.495 -4.964 19.777 311 H VAL 42 H VAL 42 13.784 -3.755 20.217 312 HA VAL 42 HA VAL 42 11.117 -5.070 20.245 313 HB VAL 42 HB VAL 42 11.614 -3.741 22.203 314 HG11 VAL 42 HG11 VAL 42 12.890 -2.024 20.353 315 HG12 VAL 42 HG12 VAL 42 11.625 -1.091 21.156 316 HG13 VAL 42 HG13 VAL 42 12.862 -1.909 22.112 317 HG21 VAL 42 HG21 VAL 42 9.311 -3.695 21.041 318 HG22 VAL 42 HG22 VAL 42 9.634 -2.523 22.318 319 HG23 VAL 42 HG23 VAL 42 9.724 -2.031 20.627 320 H TRP 43 H TRP 43 9.818 -4.945 18.556 321 HA TRP 43 HA TRP 43 10.359 -2.801 16.554 322 HB2 TRP 43 HB2 TRP 43 9.142 -5.550 16.380 323 HB3 TRP 43 HB3 TRP 43 8.799 -4.345 15.141 324 HD1 TRP 43 HD1 TRP 43 11.904 -6.025 16.757 325 HE1 TRP 43 HE1 TRP 43 13.720 -6.233 14.945 326 HE3 TRP 43 HE3 TRP 43 9.498 -3.655 12.919 327 HZ2 TRP 43 HZ2 TRP 43 14.085 -5.490 12.247 328 HZ3 TRP 43 HZ3 TRP 43 10.650 -3.446 10.755 329 HH2 TRP 43 HH2 TRP 43 12.896 -4.344 10.428 330 H THR 44 H THR 44 8.498 -1.848 15.433 331 HA THR 44 HA THR 44 5.995 -1.877 17.034 332 HB THR 44 HB THR 44 5.894 0.634 16.888 333 HG1 THR 44 HG1 THR 44 7.562 0.861 15.287 334 HG21 THR 44 HG21 THR 44 6.697 -0.772 18.902 335 HG22 THR 44 HG22 THR 44 7.028 0.960 18.902 336 HG23 THR 44 HG23 THR 44 8.303 -0.182 18.479 337 H TYR 45 H TYR 45 4.145 -1.033 15.926 338 HA TYR 45 HA TYR 45 4.525 -0.585 13.013 339 HB2 TYR 45 HB2 TYR 45 4.049 -2.885 12.956 340 HB3 TYR 45 HB3 TYR 45 2.898 -2.782 14.284 341 HD1 TYR 45 HD2 TYR 45 3.135 -0.796 11.135 342 HD2 TYR 45 HD1 TYR 45 0.874 -3.557 13.452 343 HE1 TYR 45 HE2 TYR 45 1.289 -0.634 9.517 344 HE2 TYR 45 HE1 TYR 45 -0.977 -3.404 11.840 345 HH TYR 45 HH TYR 45 -1.267 -2.804 9.422 346 H ASP 46 H ASP 46 3.366 1.071 12.303 347 HA ASP 46 HA ASP 46 0.920 1.809 13.855 348 HB2 ASP 46 HB2 ASP 46 2.915 3.301 14.329 349 HB3 ASP 46 HB3 ASP 46 2.850 3.805 12.642 350 H ASP 47 H ASP 47 -0.472 0.882 12.377 351 HA ASP 47 HA ASP 47 -0.339 1.011 9.594 352 HB2 ASP 47 HB2 ASP 47 -2.584 0.374 9.579 353 HB3 ASP 47 HB3 ASP 47 -2.056 -0.145 11.177 354 H ALA 48 H ALA 48 -1.331 3.495 11.886 355 HA ALA 48 HA ALA 48 -2.713 5.265 10.236 356 HB1 ALA 48 HB1 ALA 48 -1.341 5.384 12.742 357 HB2 ALA 48 HB2 ALA 48 -0.967 6.837 11.814 358 HB3 ALA 48 HB3 ALA 48 -2.646 6.407 12.139 359 H THR 49 H THR 49 0.772 4.658 10.409 360 HA THR 49 HA THR 49 1.062 6.321 7.947 361 HB THR 49 HB THR 49 3.455 6.795 8.951 362 HG1 THR 49 HG1 THR 49 3.600 6.130 10.951 363 HG21 THR 49 HG21 THR 49 1.040 8.286 9.982 364 HG22 THR 49 HG22 THR 49 1.714 8.471 8.363 365 HG23 THR 49 HG23 THR 49 2.671 8.924 9.773 366 H LYS 50 H LYS 50 0.791 3.404 8.477 367 HA LYS 50 HA LYS 50 2.070 1.428 8.222 368 HB2 LYS 50 HB2 LYS 50 2.843 1.430 5.738 369 HB3 LYS 50 HB3 LYS 50 1.130 1.605 6.099 370 HG2 LYS 50 HG2 LYS 50 2.604 4.132 5.913 371 HG3 LYS 50 HG3 LYS 50 2.529 3.201 4.415 372 HD2 LYS 50 HD2 LYS 50 0.428 3.848 4.091 373 HD3 LYS 50 HD3 LYS 50 -0.043 3.169 5.651 374 HE2 LYS 50 HE2 LYS 50 0.005 5.178 6.687 375 HE3 LYS 50 HE3 LYS 50 1.382 5.750 5.746 376 HZ1 LYS 50 HZ1 LYS 50 -0.108 6.118 3.873 377 HZ2 LYS 50 HZ2 LYS 50 -0.605 7.005 5.224 378 HZ3 LYS 50 HZ3 LYS 50 -1.427 5.591 4.792 379 H THR 51 H THR 51 3.684 2.776 9.814 380 HA THR 51 HA THR 51 6.351 2.370 8.538 381 HB THR 51 HB THR 51 5.522 4.726 10.252 382 HG1 THR 51 HG1 THR 51 5.271 5.438 8.257 383 HG21 THR 51 HG21 THR 51 7.952 5.397 9.989 384 HG22 THR 51 HG22 THR 51 8.265 3.729 9.507 385 HG23 THR 51 HG23 THR 51 7.633 4.079 11.115 386 H PHE 52 H PHE 52 7.782 1.245 9.721 387 HA PHE 52 HA PHE 52 6.909 0.518 12.485 388 HB2 PHE 52 HB2 PHE 52 8.829 -0.997 10.696 389 HB3 PHE 52 HB3 PHE 52 8.115 -1.551 12.207 390 HD1 PHE 52 HD2 PHE 52 7.352 -0.665 8.700 391 HD2 PHE 52 HD1 PHE 52 6.021 -2.611 12.244 392 HE1 PHE 52 HE2 PHE 52 5.488 -1.669 7.446 393 HE2 PHE 52 HE1 PHE 52 4.156 -3.619 10.995 394 HZ PHE 52 HZ PHE 52 3.887 -3.147 8.593 395 H THR 53 H THR 53 8.800 -0.144 13.934 396 HA THR 53 HA THR 53 11.199 1.536 13.434 397 HB THR 53 HB THR 53 9.962 1.659 16.164 398 HG1 THR 53 HG1 THR 53 9.340 3.580 14.175 399 HG21 THR 53 HG21 THR 53 12.256 2.508 15.698 400 HG22 THR 53 HG22 THR 53 11.153 3.752 16.286 401 HG23 THR 53 HG23 THR 53 11.555 3.669 14.571 402 H VAL 54 H VAL 54 12.919 0.298 13.696 403 HA VAL 54 HA VAL 54 12.720 -1.954 15.654 404 HB VAL 54 HB VAL 54 13.128 -2.750 13.411 405 HG11 VAL 54 HG11 VAL 54 15.720 -1.779 12.821 406 HG12 VAL 54 HG12 VAL 54 14.224 -1.521 11.923 407 HG13 VAL 54 HG13 VAL 54 14.701 -0.388 13.188 408 HG21 VAL 54 HG21 VAL 54 15.747 -2.848 14.897 409 HG22 VAL 54 HG22 VAL 54 14.328 -3.796 15.344 410 HG23 VAL 54 HG23 VAL 54 15.099 -4.047 13.777 411 H THR 55 H THR 55 14.070 -2.075 17.340 412 HA THR 55 HA THR 55 16.263 -0.039 17.442 413 HB THR 55 HB THR 55 15.335 -1.064 20.032 414 HG1 THR 55 HG1 THR 55 13.436 0.429 19.857 415 HG21 THR 55 HG21 THR 55 15.821 1.065 20.743 416 HG22 THR 55 HG22 THR 55 15.304 1.806 19.228 417 HG23 THR 55 HG23 THR 55 16.855 0.972 19.317 418 H GLU 56 H GLU 56 17.627 -0.810 19.639 419 HA GLU 56 HA GLU 56 18.606 -3.513 18.825 420 HB2 GLU 56 HB2 GLU 56 19.931 -1.003 19.474 421 HB3 GLU 56 HB3 GLU 56 20.537 -2.326 20.462 422 HG2 GLU 56 HG2 GLU 56 20.443 -2.229 17.456 423 HG3 GLU 56 HG3 GLU 56 21.876 -2.093 18.473 Start of MODEL 33 1 H1 MET 1 H MET 1 0.363 -0.021 0.977 2 HA MET 1 HA MET 1 1.401 -1.818 -1.074 3 HB2 MET 1 HB2 MET 1 -0.279 -0.182 -1.754 4 HB3 MET 1 HB3 MET 1 0.737 1.130 -1.171 5 HG2 MET 1 HG2 MET 1 1.804 1.233 -3.102 6 HG3 MET 1 HG3 MET 1 2.209 -0.480 -3.021 7 HE1 MET 1 HE1 MET 1 0.022 2.262 -4.566 8 HE2 MET 1 HE2 MET 1 1.334 1.634 -5.562 9 HE3 MET 1 HE3 MET 1 -0.341 1.415 -6.070 10 H GLN 2 H GLN 2 2.442 0.572 1.222 11 HA GLN 2 HA GLN 2 5.224 -0.064 0.651 12 HB2 GLN 2 HB2 GLN 2 4.211 1.975 -0.877 13 HB3 GLN 2 HB3 GLN 2 4.843 2.856 0.507 14 HG2 GLN 2 HG2 GLN 2 7.029 1.855 0.173 15 HG3 GLN 2 HG3 GLN 2 6.405 0.917 -1.183 16 HE21 GLN 2 HE21 GLN 2 7.134 4.147 -0.036 17 HE22 GLN 2 HE22 GLN 2 7.272 4.876 -1.596 18 H TYR 3 H TYR 3 6.381 0.045 2.466 19 HA TYR 3 HA TYR 3 5.288 1.745 4.672 20 HB2 TYR 3 HB2 TYR 3 6.586 -0.974 5.011 21 HB3 TYR 3 HB3 TYR 3 5.858 0.018 6.269 22 HD1 TYR 3 HD2 TYR 3 5.119 -1.998 3.255 23 HD2 TYR 3 HD1 TYR 3 3.530 -0.068 6.698 24 HE1 TYR 3 HE2 TYR 3 2.962 -3.121 2.883 25 HE2 TYR 3 HE1 TYR 3 1.370 -1.186 6.336 26 HH TYR 3 HH TYR 3 0.373 -2.433 3.646 27 H LYS 4 H LYS 4 6.919 2.194 6.401 28 HA LYS 4 HA LYS 4 9.609 2.552 5.138 29 HB2 LYS 4 HB2 LYS 4 7.966 4.562 5.840 30 HB3 LYS 4 HB3 LYS 4 8.759 4.308 7.389 31 HG2 LYS 4 HG2 LYS 4 9.881 6.033 6.099 32 HG3 LYS 4 HG3 LYS 4 10.935 4.638 6.342 33 HD2 LYS 4 HD2 LYS 4 10.860 4.025 4.133 34 HD3 LYS 4 HD3 LYS 4 9.270 4.747 3.875 35 HE2 LYS 4 HE2 LYS 4 10.820 6.922 4.491 36 HE3 LYS 4 HE3 LYS 4 11.937 5.908 3.579 37 HZ1 LYS 4 HZ1 LYS 4 10.974 6.887 1.826 38 HZ2 LYS 4 HZ2 LYS 4 9.586 7.335 2.682 39 HZ3 LYS 4 HZ3 LYS 4 9.732 5.764 2.072 40 H LEU 5 H LEU 5 11.461 2.404 6.481 41 HA LEU 5 HA LEU 5 10.975 1.111 9.123 42 HB2 LEU 5 HB2 LEU 5 11.406 -0.643 7.465 43 HB3 LEU 5 HB3 LEU 5 12.913 0.149 7.011 44 HG LEU 5 HG LEU 5 13.917 -0.391 9.105 45 HD11 LEU 5 HD11 LEU 5 11.994 0.018 10.545 46 HD12 LEU 5 HD12 LEU 5 12.718 -1.554 10.884 47 HD13 LEU 5 HD13 LEU 5 11.225 -1.454 9.950 48 HD21 LEU 5 HD21 LEU 5 13.877 -2.177 7.428 49 HD22 LEU 5 HD22 LEU 5 12.368 -2.782 8.111 50 HD23 LEU 5 HD23 LEU 5 13.849 -2.823 9.069 51 H VAL 6 H VAL 6 12.155 1.931 10.721 52 HA VAL 6 HA VAL 6 14.562 3.535 9.947 53 HB VAL 6 HB VAL 6 12.609 4.089 12.197 54 HG11 VAL 6 HG11 VAL 6 14.297 6.281 11.795 55 HG12 VAL 6 HG12 VAL 6 14.280 5.181 13.174 56 HG13 VAL 6 HG13 VAL 6 15.351 4.869 11.808 57 HG21 VAL 6 HG21 VAL 6 13.085 6.155 10.189 58 HG22 VAL 6 HG22 VAL 6 12.334 4.698 9.538 59 HG23 VAL 6 HG23 VAL 6 11.569 5.564 10.870 60 H ILE 7 H ILE 7 16.356 2.566 10.588 61 HA ILE 7 HA ILE 7 16.242 0.779 12.953 62 HB ILE 7 HB ILE 7 18.432 1.236 10.910 63 HG12 ILE 7 HG12 ILE 7 16.698 -1.201 11.344 64 HG13 ILE 7 HG13 ILE 7 16.329 0.050 10.161 65 HG21 ILE 7 HG21 ILE 7 18.376 -0.207 13.477 66 HG22 ILE 7 HG22 ILE 7 19.078 -1.085 12.119 67 HG23 ILE 7 HG23 ILE 7 19.735 0.482 12.589 68 HD11 ILE 7 HD11 ILE 7 18.883 -0.538 9.502 69 HD12 ILE 7 HD12 ILE 7 18.310 -2.104 10.078 70 HD13 ILE 7 HD13 ILE 7 17.462 -1.281 8.769 71 H ASN 8 H ASN 8 16.911 1.382 14.891 72 HA ASN 8 HA ASN 8 18.696 3.779 15.039 73 HB2 ASN 8 HB2 ASN 8 16.203 3.603 16.076 74 HB3 ASN 8 HB3 ASN 8 17.130 2.965 17.431 75 HD21 ASN 8 HD21 ASN 8 19.276 4.351 17.696 76 HD22 ASN 8 HD22 ASN 8 18.983 6.048 17.832 77 H GLY 9 H GLY 9 20.197 1.746 14.592 78 HA2 GLY 9 HA2 GLY 9 20.788 0.227 17.028 79 HA3 GLY 9 HA3 GLY 9 21.638 0.129 15.493 80 H LYS 10 H LYS 10 23.039 0.058 17.848 81 HA LYS 10 HA LYS 10 23.959 2.745 18.524 82 HB2 LYS 10 HB2 LYS 10 24.574 -0.043 19.375 83 HB3 LYS 10 HB3 LYS 10 25.840 1.156 19.605 84 HG2 LYS 10 HG2 LYS 10 23.858 2.532 20.673 85 HG3 LYS 10 HG3 LYS 10 23.188 0.917 20.914 86 HD2 LYS 10 HD2 LYS 10 24.406 1.428 22.879 87 HD3 LYS 10 HD3 LYS 10 25.403 0.293 21.964 88 HE2 LYS 10 HE2 LYS 10 26.991 1.844 22.473 89 HE3 LYS 10 HE3 LYS 10 26.391 2.542 20.970 90 HZ1 LYS 10 HZ1 LYS 10 25.984 4.374 22.124 91 HZ2 LYS 10 HZ2 LYS 10 26.323 3.617 23.598 92 HZ3 LYS 10 HZ3 LYS 10 24.763 3.543 22.948 93 H THR 11 H THR 11 24.847 0.219 16.282 94 HA THR 11 HA THR 11 27.230 1.855 15.501 95 HB THR 11 HB THR 11 28.296 -0.175 14.690 96 HG1 THR 11 HG1 THR 11 27.087 -2.207 15.473 97 HG21 THR 11 HG21 THR 11 29.135 -0.387 16.742 98 HG22 THR 11 HG22 THR 11 27.761 -1.399 17.189 99 HG23 THR 11 HG23 THR 11 27.685 0.347 17.426 100 H LEU 12 H LEU 12 24.809 -0.491 14.263 101 HA LEU 12 HA LEU 12 25.189 0.571 11.539 102 HB2 LEU 12 HB2 LEU 12 24.931 -1.828 11.870 103 HB3 LEU 12 HB3 LEU 12 23.362 -1.576 12.632 104 HG LEU 12 HG LEU 12 22.396 -0.877 10.547 105 HD11 LEU 12 HD11 LEU 12 23.704 0.207 9.111 106 HD12 LEU 12 HD12 LEU 12 24.273 -1.376 8.582 107 HD13 LEU 12 HD13 LEU 12 25.172 -0.480 9.807 108 HD21 LEU 12 HD21 LEU 12 24.060 -3.285 9.876 109 HD22 LEU 12 HD22 LEU 12 22.398 -2.925 9.408 110 HD23 LEU 12 HD23 LEU 12 22.772 -3.346 11.080 111 H LYS 13 H LYS 13 23.859 1.911 10.471 112 HA LYS 13 HA LYS 13 21.158 2.427 11.546 113 HB2 LYS 13 HB2 LYS 13 23.424 4.350 11.690 114 HB3 LYS 13 HB3 LYS 13 21.875 4.996 11.165 115 HG2 LYS 13 HG2 LYS 13 20.866 4.597 13.191 116 HG3 LYS 13 HG3 LYS 13 21.998 3.313 13.622 117 HD2 LYS 13 HD2 LYS 13 23.216 4.774 14.770 118 HD3 LYS 13 HD3 LYS 13 23.479 5.714 13.299 119 HE2 LYS 13 HE2 LYS 13 21.333 6.873 13.706 120 HE3 LYS 13 HE3 LYS 13 21.166 5.983 15.218 121 HZ1 LYS 13 HZ1 LYS 13 23.478 7.736 14.608 122 HZ2 LYS 13 HZ2 LYS 13 23.072 7.051 16.099 123 HZ3 LYS 13 HZ3 LYS 13 22.102 8.268 15.436 124 H GLY 14 H GLY 14 20.459 1.468 9.601 125 HA2 GLY 14 HA2 GLY 14 20.847 3.272 7.246 126 HA3 GLY 14 HA3 GLY 14 20.873 1.522 7.086 127 H GLU 15 H GLU 15 19.178 2.507 5.442 128 HA GLU 15 HA GLU 15 16.534 2.330 6.833 129 HB2 GLU 15 HB2 GLU 15 17.525 4.155 4.693 130 HB3 GLU 15 HB3 GLU 15 15.863 3.595 4.567 131 HG2 GLU 15 HG2 GLU 15 15.351 4.493 6.746 132 HG3 GLU 15 HG3 GLU 15 17.034 4.964 6.978 133 H THR 16 H THR 16 15.006 0.975 6.024 134 HA THR 16 HA THR 16 15.718 -0.498 3.526 135 HB THR 16 HB THR 16 14.303 -2.162 5.462 136 HG1 THR 16 HG1 THR 16 16.964 -1.368 6.115 137 HG21 THR 16 HG21 THR 16 15.427 -2.888 3.345 138 HG22 THR 16 HG22 THR 16 15.913 -3.801 4.774 139 HG23 THR 16 HG23 THR 16 16.976 -2.556 4.118 140 H THR 17 H THR 17 14.205 0.309 2.183 141 HA THR 17 HA THR 17 11.382 0.306 3.156 142 HB THR 17 HB THR 17 10.872 1.969 1.603 143 HG1 THR 17 HG1 THR 17 13.321 1.446 0.240 144 HG21 THR 17 HG21 THR 17 13.762 2.547 2.258 145 HG22 THR 17 HG22 THR 17 12.417 2.773 3.377 146 HG23 THR 17 HG23 THR 17 12.502 3.725 1.895 147 H THR 18 H THR 18 9.729 -0.625 1.933 148 HA THR 18 HA THR 18 10.358 -2.039 -0.541 149 HB THR 18 HB THR 18 11.215 -3.581 1.282 150 HG1 THR 18 HG1 THR 18 10.234 -5.400 0.275 151 HG21 THR 18 HG21 THR 18 9.144 -2.981 2.753 152 HG22 THR 18 HG22 THR 18 9.792 -4.621 2.785 153 HG23 THR 18 HG23 THR 18 8.353 -4.260 1.832 154 H LYS 19 H LYS 19 8.326 -3.786 -0.768 155 HA LYS 19 HA LYS 19 5.905 -2.121 -0.195 156 HB2 LYS 19 HB2 LYS 19 5.031 -2.602 -2.334 157 HB3 LYS 19 HB3 LYS 19 6.716 -2.187 -2.620 158 HG2 LYS 19 HG2 LYS 19 6.749 -4.932 -2.247 159 HG3 LYS 19 HG3 LYS 19 5.289 -4.633 -3.193 160 HD2 LYS 19 HD2 LYS 19 6.915 -4.888 -4.829 161 HD3 LYS 19 HD3 LYS 19 6.826 -3.135 -4.643 162 HE2 LYS 19 HE2 LYS 19 9.131 -3.727 -4.708 163 HE3 LYS 19 HE3 LYS 19 8.746 -3.300 -3.042 164 HZ1 LYS 19 HZ1 LYS 19 8.425 -6.101 -3.663 165 HZ2 LYS 19 HZ2 LYS 19 9.168 -5.365 -2.334 166 HZ3 LYS 19 HZ3 LYS 19 10.018 -5.544 -3.786 167 H ALA 20 H ALA 20 3.991 -3.179 0.313 168 HA ALA 20 HA ALA 20 3.939 -6.109 0.375 169 HB1 ALA 20 HB1 ALA 20 3.259 -5.735 2.970 170 HB2 ALA 20 HB2 ALA 20 4.868 -6.209 2.425 171 HB3 ALA 20 HB3 ALA 20 4.523 -4.518 2.788 172 H VAL 21 H VAL 21 1.886 -6.951 0.505 173 HA VAL 21 HA VAL 21 -0.253 -5.202 -0.238 174 HB VAL 21 HB VAL 21 -0.548 -7.985 0.913 175 HG11 VAL 21 HG11 VAL 21 -2.266 -7.248 -1.293 176 HG12 VAL 21 HG12 VAL 21 -2.687 -7.855 0.310 177 HG13 VAL 21 HG13 VAL 21 -2.430 -6.128 0.059 178 HG21 VAL 21 HG21 VAL 21 -0.471 -8.656 -1.548 179 HG22 VAL 21 HG22 VAL 21 0.284 -7.087 -1.832 180 HG23 VAL 21 HG23 VAL 21 1.064 -8.263 -0.773 181 H ASP 22 H ASP 22 0.945 -6.321 2.846 182 HA ASP 22 HA ASP 22 -0.806 -4.452 4.228 183 HB2 ASP 22 HB2 ASP 22 -2.405 -6.247 4.062 184 HB3 ASP 22 HB3 ASP 22 -1.216 -7.432 4.594 185 H ALA 23 H ALA 23 -0.251 -4.159 6.447 186 HA ALA 23 HA ALA 23 2.511 -4.296 6.968 187 HB1 ALA 23 HB1 ALA 23 0.628 -2.925 8.106 188 HB2 ALA 23 HB2 ALA 23 0.507 -4.303 9.201 189 HB3 ALA 23 HB3 ALA 23 2.027 -3.418 9.061 190 H GLU 24 H GLU 24 0.029 -6.706 7.372 191 HA GLU 24 HA GLU 24 1.343 -8.309 9.351 192 HB2 GLU 24 HB2 GLU 24 -0.969 -8.699 8.925 193 HB3 GLU 24 HB3 GLU 24 -0.691 -8.942 7.206 194 HG2 GLU 24 HG2 GLU 24 -0.112 -11.094 7.468 195 HG3 GLU 24 HG3 GLU 24 0.747 -10.791 8.977 196 H THR 25 H THR 25 1.053 -8.859 5.810 197 HA THR 25 HA THR 25 2.954 -10.956 5.711 198 HB THR 25 HB THR 25 1.484 -10.592 3.844 199 HG1 THR 25 HG1 THR 25 3.188 -11.459 2.893 200 HG21 THR 25 HG21 THR 25 2.865 -7.926 3.512 201 HG22 THR 25 HG22 THR 25 1.188 -8.189 3.991 202 HG23 THR 25 HG23 THR 25 1.720 -8.622 2.366 203 H ALA 26 H ALA 26 3.343 -7.446 5.611 204 HA ALA 26 HA ALA 26 6.122 -7.533 4.796 205 HB1 ALA 26 HB1 ALA 26 4.182 -5.572 5.046 206 HB2 ALA 26 HB2 ALA 26 5.352 -5.166 6.303 207 HB3 ALA 26 HB3 ALA 26 5.877 -5.322 4.627 208 H GLU 27 H GLU 27 4.403 -7.306 7.907 209 HA GLU 27 HA GLU 27 6.565 -6.745 9.592 210 HB2 GLU 27 HB2 GLU 27 4.285 -6.837 10.409 211 HB3 GLU 27 HB3 GLU 27 4.186 -8.559 10.067 212 HG2 GLU 27 HG2 GLU 27 6.277 -7.557 11.937 213 HG3 GLU 27 HG3 GLU 27 4.611 -7.711 12.492 214 H LYS 28 H LYS 28 5.637 -9.795 8.066 215 HA LYS 28 HA LYS 28 7.544 -11.376 9.589 216 HB2 LYS 28 HB2 LYS 28 5.384 -11.896 7.889 217 HB3 LYS 28 HB3 LYS 28 6.783 -12.507 7.016 218 HG2 LYS 28 HG2 LYS 28 7.178 -14.158 8.520 219 HG3 LYS 28 HG3 LYS 28 6.553 -13.222 9.880 220 HD2 LYS 28 HD2 LYS 28 4.328 -13.725 9.350 221 HD3 LYS 28 HD3 LYS 28 4.741 -14.234 7.711 222 HE2 LYS 28 HE2 LYS 28 5.774 -16.227 8.512 223 HE3 LYS 28 HE3 LYS 28 5.674 -15.678 10.184 224 HZ1 LYS 28 HZ1 LYS 28 3.313 -15.887 10.133 225 HZ2 LYS 28 HZ2 LYS 28 3.967 -17.338 9.562 226 HZ3 LYS 28 HZ3 LYS 28 3.309 -16.221 8.474 227 H ALA 29 H ALA 29 7.434 -10.003 6.289 228 HA ALA 29 HA ALA 29 9.951 -11.047 5.451 229 HB1 ALA 29 HB1 ALA 29 8.159 -8.838 4.554 230 HB2 ALA 29 HB2 ALA 29 9.803 -8.900 3.919 231 HB3 ALA 29 HB3 ALA 29 8.717 -10.269 3.687 232 H PHE 30 H PHE 30 9.059 -8.235 7.369 233 HA PHE 30 HA PHE 30 11.591 -6.884 7.131 234 HB2 PHE 30 HB2 PHE 30 9.213 -6.693 8.945 235 HB3 PHE 30 HB3 PHE 30 10.704 -5.888 9.423 236 HD1 PHE 30 HD1 PHE 30 9.181 -6.320 6.057 237 HD2 PHE 30 HD2 PHE 30 10.325 -3.626 9.147 238 HE1 PHE 30 HE1 PHE 30 8.614 -4.418 4.603 239 HE2 PHE 30 HE2 PHE 30 9.759 -1.719 7.698 240 HZ PHE 30 HZ PHE 30 8.902 -2.114 5.424 241 H LYS 31 H LYS 31 10.286 -9.341 9.315 242 HA LYS 31 HA LYS 31 12.364 -9.206 11.272 243 HB2 LYS 31 HB2 LYS 31 10.051 -10.480 11.219 244 HB3 LYS 31 HB3 LYS 31 11.024 -11.801 10.585 245 HG2 LYS 31 HG2 LYS 31 11.650 -12.336 12.635 246 HG3 LYS 31 HG3 LYS 31 12.361 -10.734 12.849 247 HD2 LYS 31 HD2 LYS 31 9.473 -11.461 13.343 248 HD3 LYS 31 HD3 LYS 31 10.704 -11.231 14.587 249 HE2 LYS 31 HE2 LYS 31 11.012 -8.899 13.530 250 HE3 LYS 31 HE3 LYS 31 9.449 -9.202 12.771 251 HZ1 LYS 31 HZ1 LYS 31 9.948 -8.286 15.353 252 HZ2 LYS 31 HZ2 LYS 31 9.283 -9.834 15.505 253 HZ3 LYS 31 HZ3 LYS 31 8.450 -8.637 14.648 254 H GLN 32 H GLN 32 12.375 -10.283 8.030 255 HA GLN 32 HA GLN 32 14.531 -12.234 8.397 256 HB2 GLN 32 HB2 GLN 32 12.982 -12.633 6.609 257 HB3 GLN 32 HB3 GLN 32 13.226 -11.021 5.951 258 HG2 GLN 32 HG2 GLN 32 15.016 -11.645 4.787 259 HG3 GLN 32 HG3 GLN 32 15.689 -12.555 6.139 260 HE21 GLN 32 HE21 GLN 32 15.528 -13.211 3.286 261 HE22 GLN 32 HE22 GLN 32 14.699 -14.724 3.198 262 H TYR 33 H TYR 33 14.173 -8.832 7.629 263 HA TYR 33 HA TYR 33 16.875 -8.524 6.607 264 HB2 TYR 33 HB2 TYR 33 14.974 -7.001 6.042 265 HB3 TYR 33 HB3 TYR 33 14.998 -6.406 7.699 266 HD1 TYR 33 HD2 TYR 33 17.133 -6.733 4.666 267 HD2 TYR 33 HD1 TYR 33 16.383 -4.621 8.283 268 HE1 TYR 33 HE2 TYR 33 18.826 -5.065 4.036 269 HE2 TYR 33 HE1 TYR 33 18.074 -2.946 7.662 270 HH TYR 33 HH TYR 33 19.960 -3.262 4.671 271 H ALA 34 H ALA 34 15.240 -7.950 9.722 272 HA ALA 34 HA ALA 34 17.511 -6.786 11.025 273 HB1 ALA 34 HB1 ALA 34 15.822 -8.244 12.852 274 HB2 ALA 34 HB2 ALA 34 16.032 -6.503 12.661 275 HB3 ALA 34 HB3 ALA 34 14.848 -7.362 11.676 276 H ASN 35 H ASN 35 16.145 -10.106 11.237 277 HA ASN 35 HA ASN 35 18.143 -11.205 12.871 278 HB2 ASN 35 HB2 ASN 35 16.081 -12.392 12.288 279 HB3 ASN 35 HB3 ASN 35 16.609 -12.536 10.613 280 HD21 ASN 35 HD21 ASN 35 16.258 -14.823 10.984 281 HD22 ASN 35 HD22 ASN 35 17.513 -15.760 11.711 282 H ASP 36 H ASP 36 18.201 -10.444 9.444 283 HA ASP 36 HA ASP 36 20.616 -11.991 8.921 284 HB2 ASP 36 HB2 ASP 36 18.893 -10.083 7.391 285 HB3 ASP 36 HB3 ASP 36 20.538 -10.353 6.822 286 H ASN 37 H ASN 37 19.819 -8.711 9.901 287 HA ASN 37 HA ASN 37 22.694 -7.961 9.656 288 HB2 ASN 37 HB2 ASN 37 20.151 -6.352 9.935 289 HB3 ASN 37 HB3 ASN 37 21.735 -5.634 10.214 290 HD21 ASN 37 HD21 ASN 37 19.581 -7.012 7.865 291 HD22 ASN 37 HD22 ASN 37 20.438 -6.472 6.464 292 H GLY 38 H GLY 38 21.470 -9.750 11.736 293 HA2 GLY 38 HA2 GLY 38 21.528 -9.992 14.043 294 HA3 GLY 38 HA3 GLY 38 22.983 -9.011 13.940 295 H VAL 39 H VAL 39 19.509 -8.298 13.456 296 HA VAL 39 HA VAL 39 19.800 -6.223 15.596 297 HB VAL 39 HB VAL 39 18.001 -5.974 13.177 298 HG11 VAL 39 HG11 VAL 39 17.420 -3.912 13.954 299 HG12 VAL 39 HG12 VAL 39 17.725 -4.716 15.495 300 HG13 VAL 39 HG13 VAL 39 18.955 -3.669 14.786 301 HG21 VAL 39 HG21 VAL 39 20.828 -5.077 13.601 302 HG22 VAL 39 HG22 VAL 39 20.115 -5.882 12.204 303 HG23 VAL 39 HG23 VAL 39 19.745 -4.189 12.530 304 H ASP 40 H ASP 40 18.617 -6.700 17.306 305 HA ASP 40 HA ASP 40 15.859 -7.708 16.864 306 HB2 ASP 40 HB2 ASP 40 17.417 -9.663 17.273 307 HB3 ASP 40 HB3 ASP 40 17.721 -8.998 18.876 308 H GLY 41 H GLY 41 14.468 -7.487 18.747 309 HA2 GLY 41 HA2 GLY 41 14.788 -6.531 21.194 310 HA3 GLY 41 HA3 GLY 41 15.295 -5.101 20.307 311 H VAL 42 H VAL 42 13.807 -3.628 19.859 312 HA VAL 42 HA VAL 42 10.969 -4.419 20.241 313 HB VAL 42 HB VAL 42 12.167 -1.652 19.942 314 HG11 VAL 42 HG11 VAL 42 9.914 -1.473 19.354 315 HG12 VAL 42 HG12 VAL 42 9.409 -2.658 20.559 316 HG13 VAL 42 HG13 VAL 42 9.940 -1.055 21.066 317 HG21 VAL 42 HG21 VAL 42 11.423 -3.231 22.400 318 HG22 VAL 42 HG22 VAL 42 13.025 -2.648 21.948 319 HG23 VAL 42 HG23 VAL 42 11.764 -1.500 22.399 320 H TRP 43 H TRP 43 9.451 -4.358 18.679 321 HA TRP 43 HA TRP 43 10.225 -3.197 16.049 322 HB2 TRP 43 HB2 TRP 43 9.720 -6.039 16.662 323 HB3 TRP 43 HB3 TRP 43 8.814 -5.419 15.285 324 HD1 TRP 43 HD1 TRP 43 12.184 -6.684 16.241 325 HE1 TRP 43 HE1 TRP 43 13.811 -6.452 14.261 326 HE3 TRP 43 HE3 TRP 43 9.354 -3.692 13.212 327 HZ2 TRP 43 HZ2 TRP 43 13.885 -5.169 11.747 328 HZ3 TRP 43 HZ3 TRP 43 10.276 -3.007 11.036 329 HH2 TRP 43 HH2 TRP 43 12.496 -3.731 10.321 330 H THR 44 H THR 44 8.814 -1.483 16.429 331 HA THR 44 HA THR 44 5.945 -2.209 16.770 332 HB THR 44 HB THR 44 5.665 0.294 17.093 333 HG1 THR 44 HG1 THR 44 7.444 1.545 17.254 334 HG21 THR 44 HG21 THR 44 7.586 -0.906 19.075 335 HG22 THR 44 HG22 THR 44 5.918 -1.460 18.927 336 HG23 THR 44 HG23 THR 44 6.256 0.211 19.376 337 H TYR 45 H TYR 45 4.352 -0.873 15.536 338 HA TYR 45 HA TYR 45 5.281 0.222 12.986 339 HB2 TYR 45 HB2 TYR 45 4.773 -1.477 11.597 340 HB3 TYR 45 HB3 TYR 45 4.825 -2.500 13.028 341 HD1 TYR 45 HD2 TYR 45 2.763 -3.270 14.084 342 HD2 TYR 45 HD1 TYR 45 2.666 -0.865 10.575 343 HE1 TYR 45 HE2 TYR 45 0.403 -3.873 13.743 344 HE2 TYR 45 HE1 TYR 45 0.305 -1.461 10.226 345 HH TYR 45 HH TYR 45 -1.616 -2.798 12.550 346 H ASP 46 H ASP 46 3.853 1.634 12.106 347 HA ASP 46 HA ASP 46 1.251 1.887 13.562 348 HB2 ASP 46 HB2 ASP 46 2.911 3.768 13.821 349 HB3 ASP 46 HB3 ASP 46 2.752 4.073 12.093 350 H ASP 47 H ASP 47 -0.081 0.678 12.289 351 HA ASP 47 HA ASP 47 -0.046 0.486 9.495 352 HB2 ASP 47 HB2 ASP 47 -2.162 -0.482 9.665 353 HB3 ASP 47 HB3 ASP 47 -1.508 -0.726 11.283 354 H ALA 48 H ALA 48 -1.251 3.067 11.545 355 HA ALA 48 HA ALA 48 -2.875 4.376 9.584 356 HB1 ALA 48 HB1 ALA 48 -1.459 6.038 11.588 357 HB2 ALA 48 HB2 ALA 48 -3.171 5.975 11.164 358 HB3 ALA 48 HB3 ALA 48 -2.476 4.738 12.211 359 H THR 49 H THR 49 0.456 5.122 10.711 360 HA THR 49 HA THR 49 0.829 6.726 8.233 361 HB THR 49 HB THR 49 3.072 6.669 10.117 362 HG1 THR 49 HG1 THR 49 0.505 7.546 10.991 363 HG21 THR 49 HG21 THR 49 2.403 9.221 9.982 364 HG22 THR 49 HG22 THR 49 1.450 8.661 8.608 365 HG23 THR 49 HG23 THR 49 3.195 8.412 8.630 366 H LYS 50 H LYS 50 0.759 3.792 8.212 367 HA LYS 50 HA LYS 50 2.243 1.970 7.827 368 HB2 LYS 50 HB2 LYS 50 1.880 3.851 5.615 369 HB3 LYS 50 HB3 LYS 50 3.314 2.851 5.420 370 HG2 LYS 50 HG2 LYS 50 1.954 1.322 4.557 371 HG3 LYS 50 HG3 LYS 50 1.391 1.044 6.206 372 HD2 LYS 50 HD2 LYS 50 -0.512 1.398 4.772 373 HD3 LYS 50 HD3 LYS 50 -0.344 2.780 5.856 374 HE2 LYS 50 HE2 LYS 50 -0.326 4.118 4.085 375 HE3 LYS 50 HE3 LYS 50 1.183 3.368 3.568 376 HZ1 LYS 50 HZ1 LYS 50 -1.392 3.166 2.411 377 HZ2 LYS 50 HZ2 LYS 50 -0.834 1.628 2.837 378 HZ3 LYS 50 HZ3 LYS 50 0.090 2.608 1.814 379 H THR 51 H THR 51 3.674 2.771 9.704 380 HA THR 51 HA THR 51 6.410 3.113 8.567 381 HB THR 51 HB THR 51 5.257 4.646 10.912 382 HG1 THR 51 HG1 THR 51 5.118 6.178 9.470 383 HG21 THR 51 HG21 THR 51 8.058 4.003 10.165 384 HG22 THR 51 HG22 THR 51 7.347 4.285 11.754 385 HG23 THR 51 HG23 THR 51 7.717 5.648 10.699 386 H PHE 52 H PHE 52 7.993 1.926 9.516 387 HA PHE 52 HA PHE 52 7.137 0.264 11.853 388 HB2 PHE 52 HB2 PHE 52 8.554 -0.451 9.318 389 HB3 PHE 52 HB3 PHE 52 9.012 -1.302 10.789 390 HD1 PHE 52 HD1 PHE 52 6.054 -0.407 8.726 391 HD2 PHE 52 HD2 PHE 52 7.780 -3.128 11.507 392 HE1 PHE 52 HE1 PHE 52 4.124 -1.909 8.450 393 HE2 PHE 52 HE2 PHE 52 5.854 -4.634 11.235 394 HZ PHE 52 HZ PHE 52 4.023 -4.026 9.705 395 H THR 53 H THR 53 8.362 0.320 13.620 396 HA THR 53 HA THR 53 11.028 1.661 13.367 397 HB THR 53 HB THR 53 9.485 1.567 15.949 398 HG1 THR 53 HG1 THR 53 8.147 3.073 15.280 399 HG21 THR 53 HG21 THR 53 11.978 2.494 15.271 400 HG22 THR 53 HG22 THR 53 11.049 3.002 16.681 401 HG23 THR 53 HG23 THR 53 10.996 3.956 15.198 402 H VAL 54 H VAL 54 12.758 0.501 13.865 403 HA VAL 54 HA VAL 54 12.332 -1.942 15.545 404 HB VAL 54 HB VAL 54 12.884 -2.652 13.326 405 HG11 VAL 54 HG11 VAL 54 14.726 -1.855 12.044 406 HG12 VAL 54 HG12 VAL 54 13.838 -0.442 12.617 407 HG13 VAL 54 HG13 VAL 54 15.344 -0.916 13.403 408 HG21 VAL 54 HG21 VAL 54 14.108 -3.626 15.375 409 HG22 VAL 54 HG22 VAL 54 14.712 -4.027 13.767 410 HG23 VAL 54 HG23 VAL 54 15.527 -2.797 14.733 411 H THR 55 H THR 55 13.134 -1.656 17.507 412 HA THR 55 HA THR 55 15.588 0.024 17.779 413 HB THR 55 HB THR 55 14.057 -0.824 20.189 414 HG1 THR 55 HG1 THR 55 12.442 0.673 19.825 415 HG21 THR 55 HG21 THR 55 15.205 0.855 21.112 416 HG22 THR 55 HG22 THR 55 14.660 1.988 19.875 417 HG23 THR 55 HG23 THR 55 16.087 0.991 19.591 418 H GLU 56 H GLU 56 17.432 -0.752 18.671 419 HA GLU 56 HA GLU 56 17.512 -3.690 19.061 420 HB2 GLU 56 HB2 GLU 56 19.380 -1.630 18.167 421 HB3 GLU 56 HB3 GLU 56 20.095 -2.698 19.368 422 HG2 GLU 56 HG2 GLU 56 18.644 -4.236 17.435 423 HG3 GLU 56 HG3 GLU 56 19.781 -3.159 16.625 Start of MODEL 34 1 H1 MET 1 H MET 1 0.962 2.329 0.605 2 HA MET 1 HA MET 1 1.011 -0.608 0.803 3 HB2 MET 1 HB2 MET 1 1.344 1.271 -1.509 4 HB3 MET 1 HB3 MET 1 2.066 -0.332 -1.571 5 HG2 MET 1 HG2 MET 1 -0.787 -0.153 -0.804 6 HG3 MET 1 HG3 MET 1 -0.370 0.182 -2.483 7 HE1 MET 1 HE1 MET 1 -0.588 -2.545 -4.162 8 HE2 MET 1 HE2 MET 1 -1.865 -2.987 -3.029 9 HE3 MET 1 HE3 MET 1 -1.600 -1.293 -3.442 10 H GLN 2 H GLN 2 3.242 1.801 -0.607 11 HA GLN 2 HA GLN 2 5.592 0.397 -0.038 12 HB2 GLN 2 HB2 GLN 2 5.289 3.412 -0.029 13 HB3 GLN 2 HB3 GLN 2 6.762 2.504 -0.343 14 HG2 GLN 2 HG2 GLN 2 5.619 1.512 -2.336 15 HG3 GLN 2 HG3 GLN 2 4.298 2.646 -2.058 16 HE21 GLN 2 HE21 GLN 2 5.206 2.982 -4.395 17 HE22 GLN 2 HE22 GLN 2 6.325 4.290 -4.544 18 H TYR 3 H TYR 3 6.541 -0.222 1.770 19 HA TYR 3 HA TYR 3 5.837 1.236 4.272 20 HB2 TYR 3 HB2 TYR 3 6.988 -1.526 3.791 21 HB3 TYR 3 HB3 TYR 3 6.794 -0.811 5.387 22 HD1 TYR 3 HD2 TYR 3 4.408 -0.071 6.048 23 HD2 TYR 3 HD1 TYR 3 5.238 -2.728 2.831 24 HE1 TYR 3 HE2 TYR 3 2.094 -0.899 6.143 25 HE2 TYR 3 HE1 TYR 3 2.926 -3.563 2.916 26 HH TYR 3 HH TYR 3 0.607 -2.309 5.300 27 H LYS 4 H LYS 4 7.580 1.368 5.944 28 HA LYS 4 HA LYS 4 10.272 1.708 4.716 29 HB2 LYS 4 HB2 LYS 4 8.575 3.845 5.358 30 HB3 LYS 4 HB3 LYS 4 9.719 3.765 6.692 31 HG2 LYS 4 HG2 LYS 4 11.577 3.909 5.133 32 HG3 LYS 4 HG3 LYS 4 10.450 3.937 3.775 33 HD2 LYS 4 HD2 LYS 4 10.103 6.127 4.011 34 HD3 LYS 4 HD3 LYS 4 9.788 5.954 5.740 35 HE2 LYS 4 HE2 LYS 4 11.686 7.425 5.355 36 HE3 LYS 4 HE3 LYS 4 12.199 5.949 6.172 37 HZ1 LYS 4 HZ1 LYS 4 13.720 5.796 4.577 38 HZ2 LYS 4 HZ2 LYS 4 12.978 6.975 3.618 39 HZ3 LYS 4 HZ3 LYS 4 12.466 5.366 3.525 40 H LEU 5 H LEU 5 12.030 1.755 6.250 41 HA LEU 5 HA LEU 5 11.314 0.767 8.962 42 HB2 LEU 5 HB2 LEU 5 11.698 -1.262 7.813 43 HB3 LEU 5 HB3 LEU 5 13.093 -0.608 6.957 44 HG LEU 5 HG LEU 5 14.422 -0.676 8.959 45 HD11 LEU 5 HD11 LEU 5 11.819 -0.888 10.244 46 HD12 LEU 5 HD12 LEU 5 13.360 -0.322 10.887 47 HD13 LEU 5 HD13 LEU 5 12.996 -2.047 10.864 48 HD21 LEU 5 HD21 LEU 5 14.618 -3.020 9.238 49 HD22 LEU 5 HD22 LEU 5 14.078 -2.757 7.580 50 HD23 LEU 5 HD23 LEU 5 12.928 -3.283 8.810 51 H VAL 6 H VAL 6 12.570 1.539 10.558 52 HA VAL 6 HA VAL 6 15.035 3.013 9.716 53 HB VAL 6 HB VAL 6 13.076 3.784 11.895 54 HG11 VAL 6 HG11 VAL 6 15.853 4.527 11.382 55 HG12 VAL 6 HG12 VAL 6 14.763 5.907 11.521 56 HG13 VAL 6 HG13 VAL 6 14.873 4.733 12.833 57 HG21 VAL 6 HG21 VAL 6 13.779 5.374 9.447 58 HG22 VAL 6 HG22 VAL 6 12.464 4.199 9.447 59 HG23 VAL 6 HG23 VAL 6 12.412 5.581 10.542 60 H ILE 7 H ILE 7 16.699 1.797 10.343 61 HA ILE 7 HA ILE 7 16.511 0.347 12.925 62 HB ILE 7 HB ILE 7 18.642 0.266 10.773 63 HG12 ILE 7 HG12 ILE 7 16.911 -2.063 11.414 64 HG13 ILE 7 HG13 ILE 7 16.164 -0.734 10.535 65 HG21 ILE 7 HG21 ILE 7 18.866 -2.013 12.304 66 HG22 ILE 7 HG22 ILE 7 19.920 -0.602 12.382 67 HG23 ILE 7 HG23 ILE 7 18.561 -0.750 13.495 68 HD11 ILE 7 HD11 ILE 7 17.839 -0.925 8.791 69 HD12 ILE 7 HD12 ILE 7 18.634 -2.224 9.681 70 HD13 ILE 7 HD13 ILE 7 17.009 -2.461 9.039 71 H ASN 8 H ASN 8 17.407 1.051 14.736 72 HA ASN 8 HA ASN 8 19.457 3.218 14.491 73 HB2 ASN 8 HB2 ASN 8 17.133 2.840 16.334 74 HB3 ASN 8 HB3 ASN 8 18.581 3.606 16.982 75 HD21 ASN 8 HD21 ASN 8 19.509 5.228 15.207 76 HD22 ASN 8 HD22 ASN 8 18.342 6.379 14.663 77 H GLY 9 H GLY 9 20.770 1.089 14.238 78 HA2 GLY 9 HA2 GLY 9 21.256 -0.347 16.730 79 HA3 GLY 9 HA3 GLY 9 22.137 -0.530 15.221 80 H LYS 10 H LYS 10 23.327 -0.528 17.787 81 HA LYS 10 HA LYS 10 24.393 2.061 18.432 82 HB2 LYS 10 HB2 LYS 10 25.719 -0.598 18.999 83 HB3 LYS 10 HB3 LYS 10 25.857 0.897 19.915 84 HG2 LYS 10 HG2 LYS 10 23.147 0.350 19.946 85 HG3 LYS 10 HG3 LYS 10 23.909 -1.232 20.124 86 HD2 LYS 10 HD2 LYS 10 25.389 -0.038 21.890 87 HD3 LYS 10 HD3 LYS 10 24.109 1.178 21.891 88 HE2 LYS 10 HE2 LYS 10 22.587 -0.984 22.135 89 HE3 LYS 10 HE3 LYS 10 24.067 -1.640 22.833 90 HZ1 LYS 10 HZ1 LYS 10 22.730 -0.700 24.561 91 HZ2 LYS 10 HZ2 LYS 10 22.597 0.773 23.742 92 HZ3 LYS 10 HZ3 LYS 10 24.093 0.281 24.358 93 H THR 11 H THR 11 25.006 -0.098 15.869 94 HA THR 11 HA THR 11 27.512 1.410 15.244 95 HB THR 11 HB THR 11 28.384 -0.650 14.141 96 HG1 THR 11 HG1 THR 11 27.239 -2.448 14.136 97 HG21 THR 11 HG21 THR 11 28.744 0.081 16.641 98 HG22 THR 11 HG22 THR 11 29.353 -1.471 16.064 99 HG23 THR 11 HG23 THR 11 27.848 -1.399 16.980 100 H LEU 12 H LEU 12 24.741 -0.471 14.030 101 HA LEU 12 HA LEU 12 25.174 0.747 11.347 102 HB2 LEU 12 HB2 LEU 12 24.741 -1.800 11.883 103 HB3 LEU 12 HB3 LEU 12 23.056 -1.284 11.910 104 HG LEU 12 HG LEU 12 23.252 -0.502 9.603 105 HD11 LEU 12 HD11 LEU 12 26.055 -0.745 10.149 106 HD12 LEU 12 HD12 LEU 12 25.244 0.006 8.775 107 HD13 LEU 12 HD13 LEU 12 25.629 -1.714 8.738 108 HD21 LEU 12 HD21 LEU 12 23.867 -3.316 10.342 109 HD22 LEU 12 HD22 LEU 12 23.928 -2.864 8.638 110 HD23 LEU 12 HD23 LEU 12 22.440 -2.636 9.559 111 H LYS 13 H LYS 13 23.766 2.138 10.429 112 HA LYS 13 HA LYS 13 21.123 2.548 11.677 113 HB2 LYS 13 HB2 LYS 13 23.373 4.274 12.210 114 HB3 LYS 13 HB3 LYS 13 22.145 5.162 11.318 115 HG2 LYS 13 HG2 LYS 13 20.507 4.739 12.979 116 HG3 LYS 13 HG3 LYS 13 21.544 3.565 13.793 117 HD2 LYS 13 HD2 LYS 13 22.895 6.093 13.552 118 HD3 LYS 13 HD3 LYS 13 21.321 6.311 14.322 119 HE2 LYS 13 HE2 LYS 13 23.348 4.250 15.174 120 HE3 LYS 13 HE3 LYS 13 23.204 5.848 15.903 121 HZ1 LYS 13 HZ1 LYS 13 21.043 5.343 16.681 122 HZ2 LYS 13 HZ2 LYS 13 22.015 4.021 17.093 123 HZ3 LYS 13 HZ3 LYS 13 20.959 3.916 15.776 124 H GLY 14 H GLY 14 20.024 2.058 9.849 125 HA2 GLY 14 HA2 GLY 14 20.288 4.022 7.653 126 HA3 GLY 14 HA3 GLY 14 20.534 2.332 7.239 127 H GLU 15 H GLU 15 18.660 3.202 5.789 128 HA GLU 15 HA GLU 15 16.177 2.242 7.115 129 HB2 GLU 15 HB2 GLU 15 15.981 4.576 5.247 130 HB3 GLU 15 HB3 GLU 15 14.888 4.075 6.529 131 HG2 GLU 15 HG2 GLU 15 16.505 4.836 8.200 132 HG3 GLU 15 HG3 GLU 15 17.585 5.356 6.908 133 H THR 16 H THR 16 14.433 1.759 5.515 134 HA THR 16 HA THR 16 15.219 1.406 2.735 135 HB THR 16 HB THR 16 16.418 -0.503 3.715 136 HG1 THR 16 HG1 THR 16 14.187 -1.674 2.468 137 HG21 THR 16 HG21 THR 16 13.892 -0.842 5.151 138 HG22 THR 16 HG22 THR 16 15.512 -1.403 5.563 139 HG23 THR 16 HG23 THR 16 14.513 -2.336 4.450 140 H THR 17 H THR 17 13.514 0.124 1.514 141 HA THR 17 HA THR 17 10.862 0.421 2.862 142 HB THR 17 HB THR 17 9.929 1.203 0.681 143 HG1 THR 17 HG1 THR 17 12.054 0.409 -0.392 144 HG21 THR 17 HG21 THR 17 11.640 2.686 2.488 145 HG22 THR 17 HG22 THR 17 10.100 3.149 1.763 146 HG23 THR 17 HG23 THR 17 11.605 3.414 0.883 147 H THR 18 H THR 18 9.140 -0.861 1.944 148 HA THR 18 HA THR 18 9.873 -2.958 0.029 149 HB THR 18 HB THR 18 10.647 -3.717 2.386 150 HG1 THR 18 HG1 THR 18 8.822 -5.402 0.990 151 HG21 THR 18 HG21 THR 18 7.738 -4.421 2.690 152 HG22 THR 18 HG22 THR 18 8.432 -2.972 3.417 153 HG23 THR 18 HG23 THR 18 9.032 -4.565 3.878 154 H LYS 19 H LYS 19 8.121 -3.909 -0.944 155 HA LYS 19 HA LYS 19 5.508 -2.680 -0.216 156 HB2 LYS 19 HB2 LYS 19 4.830 -3.055 -2.446 157 HB3 LYS 19 HB3 LYS 19 6.499 -2.515 -2.570 158 HG2 LYS 19 HG2 LYS 19 6.868 -5.181 -2.453 159 HG3 LYS 19 HG3 LYS 19 5.292 -5.111 -3.243 160 HD2 LYS 19 HD2 LYS 19 7.429 -3.294 -4.229 161 HD3 LYS 19 HD3 LYS 19 7.558 -5.011 -4.618 162 HE2 LYS 19 HE2 LYS 19 5.082 -3.374 -5.126 163 HE3 LYS 19 HE3 LYS 19 6.360 -3.594 -6.321 164 HZ1 LYS 19 HZ1 LYS 19 5.900 -6.115 -5.654 165 HZ2 LYS 19 HZ2 LYS 19 5.074 -5.332 -6.905 166 HZ3 LYS 19 HZ3 LYS 19 4.356 -5.480 -5.380 167 H ALA 20 H ALA 20 3.793 -3.835 0.450 168 HA ALA 20 HA ALA 20 3.752 -6.751 0.081 169 HB1 ALA 20 HB1 ALA 20 4.809 -5.651 2.472 170 HB2 ALA 20 HB2 ALA 20 3.235 -6.349 2.858 171 HB3 ALA 20 HB3 ALA 20 4.477 -7.342 2.094 172 H VAL 21 H VAL 21 1.717 -7.677 0.375 173 HA VAL 21 HA VAL 21 -0.499 -6.098 -0.261 174 HB VAL 21 HB VAL 21 -0.625 -8.656 1.355 175 HG11 VAL 21 HG11 VAL 21 -2.818 -8.297 1.204 176 HG12 VAL 21 HG12 VAL 21 -2.595 -6.955 0.080 177 HG13 VAL 21 HG13 VAL 21 -2.659 -8.611 -0.524 178 HG21 VAL 21 HG21 VAL 21 -0.108 -8.181 -1.561 179 HG22 VAL 21 HG22 VAL 21 0.758 -9.230 -0.438 180 HG23 VAL 21 HG23 VAL 21 -0.855 -9.675 -0.994 181 H ASP 22 H ASP 22 0.629 -7.152 2.957 182 HA ASP 22 HA ASP 22 -0.886 -4.895 4.129 183 HB2 ASP 22 HB2 ASP 22 -1.827 -6.368 5.906 184 HB3 ASP 22 HB3 ASP 22 -2.475 -6.719 4.307 185 H ALA 23 H ALA 23 -0.490 -5.097 6.709 186 HA ALA 23 HA ALA 23 2.308 -4.603 7.019 187 HB1 ALA 23 HB1 ALA 23 0.111 -5.054 9.042 188 HB2 ALA 23 HB2 ALA 23 1.753 -4.569 9.467 189 HB3 ALA 23 HB3 ALA 23 0.753 -3.515 8.466 190 H GLU 24 H GLU 24 0.246 -7.345 8.062 191 HA GLU 24 HA GLU 24 2.189 -8.841 9.405 192 HB2 GLU 24 HB2 GLU 24 -0.063 -9.586 9.468 193 HB3 GLU 24 HB3 GLU 24 -0.169 -9.682 7.716 194 HG2 GLU 24 HG2 GLU 24 1.372 -11.567 7.713 195 HG3 GLU 24 HG3 GLU 24 1.511 -11.462 9.467 196 H THR 25 H THR 25 1.744 -8.346 5.959 197 HA THR 25 HA THR 25 3.500 -10.528 5.174 198 HB THR 25 HB THR 25 2.628 -8.106 3.570 199 HG1 THR 25 HG1 THR 25 1.383 -10.526 4.222 200 HG21 THR 25 HG21 THR 25 3.665 -10.798 2.673 201 HG22 THR 25 HG22 THR 25 4.577 -9.289 2.640 202 HG23 THR 25 HG23 THR 25 3.148 -9.479 1.625 203 H ALA 26 H ALA 26 3.809 -6.951 5.219 204 HA ALA 26 HA ALA 26 6.525 -6.886 4.388 205 HB1 ALA 26 HB1 ALA 26 4.799 -4.981 4.613 206 HB2 ALA 26 HB2 ALA 26 5.361 -4.864 6.281 207 HB3 ALA 26 HB3 ALA 26 6.493 -4.625 4.950 208 H GLU 27 H GLU 27 5.039 -7.269 7.584 209 HA GLU 27 HA GLU 27 7.397 -6.877 9.130 210 HB2 GLU 27 HB2 GLU 27 4.980 -7.047 9.930 211 HB3 GLU 27 HB3 GLU 27 5.160 -8.792 9.818 212 HG2 GLU 27 HG2 GLU 27 6.164 -8.876 11.785 213 HG3 GLU 27 HG3 GLU 27 7.350 -7.670 11.290 214 H LYS 28 H LYS 28 6.316 -9.528 7.153 215 HA LYS 28 HA LYS 28 8.071 -11.496 8.410 216 HB2 LYS 28 HB2 LYS 28 5.869 -11.638 6.770 217 HB3 LYS 28 HB3 LYS 28 7.174 -12.012 5.653 218 HG2 LYS 28 HG2 LYS 28 7.037 -14.103 6.380 219 HG3 LYS 28 HG3 LYS 28 7.760 -13.534 7.886 220 HD2 LYS 28 HD2 LYS 28 5.175 -12.874 8.306 221 HD3 LYS 28 HD3 LYS 28 4.976 -14.299 7.283 222 HE2 LYS 28 HE2 LYS 28 5.490 -15.648 8.973 223 HE3 LYS 28 HE3 LYS 28 6.996 -14.781 9.265 224 HZ1 LYS 28 HZ1 LYS 28 4.321 -14.151 10.382 225 HZ2 LYS 28 HZ2 LYS 28 5.661 -13.130 10.531 226 HZ3 LYS 28 HZ3 LYS 28 5.690 -14.671 11.230 227 H ALA 29 H ALA 29 8.095 -9.514 5.440 228 HA ALA 29 HA ALA 29 10.630 -10.586 4.531 229 HB1 ALA 29 HB1 ALA 29 8.645 -9.221 3.322 230 HB2 ALA 29 HB2 ALA 29 9.789 -7.907 3.600 231 HB3 ALA 29 HB3 ALA 29 10.286 -9.329 2.683 232 H PHE 30 H PHE 30 9.621 -7.532 6.110 233 HA PHE 30 HA PHE 30 12.120 -6.265 6.175 234 HB2 PHE 30 HB2 PHE 30 9.622 -6.126 7.759 235 HB3 PHE 30 HB3 PHE 30 11.056 -5.498 8.564 236 HD1 PHE 30 HD2 PHE 30 12.568 -4.236 6.479 237 HD2 PHE 30 HD1 PHE 30 8.351 -4.355 7.039 238 HE1 PHE 30 HE2 PHE 30 12.346 -2.128 5.229 239 HE2 PHE 30 HE1 PHE 30 8.122 -2.248 5.790 240 HZ PHE 30 HZ PHE 30 10.121 -1.131 4.884 241 H LYS 31 H LYS 31 10.729 -8.603 8.490 242 HA LYS 31 HA LYS 31 12.718 -8.543 10.450 243 HB2 LYS 31 HB2 LYS 31 10.909 -10.690 9.398 244 HB3 LYS 31 HB3 LYS 31 12.154 -11.124 10.561 245 HG2 LYS 31 HG2 LYS 31 10.112 -8.963 11.020 246 HG3 LYS 31 HG3 LYS 31 9.924 -10.635 11.554 247 HD2 LYS 31 HD2 LYS 31 12.205 -10.293 12.706 248 HD3 LYS 31 HD3 LYS 31 11.897 -8.570 12.473 249 HE2 LYS 31 HE2 LYS 31 9.701 -10.171 13.642 250 HE3 LYS 31 HE3 LYS 31 11.123 -9.924 14.654 251 HZ1 LYS 31 HZ1 LYS 31 10.753 -7.700 14.798 252 HZ2 LYS 31 HZ2 LYS 31 9.151 -8.213 14.622 253 HZ3 LYS 31 HZ3 LYS 31 9.992 -7.596 13.290 254 H GLN 32 H GLN 32 12.715 -10.240 7.326 255 HA GLN 32 HA GLN 32 15.084 -11.754 7.747 256 HB2 GLN 32 HB2 GLN 32 13.262 -11.582 5.753 257 HB3 GLN 32 HB3 GLN 32 14.590 -10.694 5.018 258 HG2 GLN 32 HG2 GLN 32 15.235 -12.721 4.326 259 HG3 GLN 32 HG3 GLN 32 15.908 -12.851 5.950 260 HE21 GLN 32 HE21 GLN 32 15.432 -15.144 4.760 261 HE22 GLN 32 HE22 GLN 32 14.016 -15.915 5.380 262 H TYR 33 H TYR 33 14.653 -8.615 6.055 263 HA TYR 33 HA TYR 33 17.335 -8.114 5.462 264 HB2 TYR 33 HB2 TYR 33 15.444 -6.710 4.716 265 HB3 TYR 33 HB3 TYR 33 15.256 -6.089 6.352 266 HD1 TYR 33 HD1 TYR 33 17.395 -6.073 3.358 267 HD2 TYR 33 HD2 TYR 33 16.743 -4.413 7.221 268 HE1 TYR 33 HE1 TYR 33 19.008 -4.286 2.856 269 HE2 TYR 33 HE2 TYR 33 18.353 -2.621 6.729 270 HH TYR 33 HH TYR 33 19.524 -2.010 3.599 271 H ALA 34 H ALA 34 15.617 -7.734 8.529 272 HA ALA 34 HA ALA 34 17.806 -6.322 9.823 273 HB1 ALA 34 HB1 ALA 34 16.480 -6.959 11.916 274 HB2 ALA 34 HB2 ALA 34 15.679 -5.924 10.733 275 HB3 ALA 34 HB3 ALA 34 15.286 -7.641 10.811 276 H ASN 35 H ASN 35 16.436 -9.623 10.240 277 HA ASN 35 HA ASN 35 18.348 -10.627 11.997 278 HB2 ASN 35 HB2 ASN 35 16.571 -11.812 9.926 279 HB3 ASN 35 HB3 ASN 35 17.884 -12.831 10.508 280 HD21 ASN 35 HD21 ASN 35 16.228 -14.197 11.364 281 HD22 ASN 35 HD22 ASN 35 15.481 -13.811 12.874 282 H ASP 36 H ASP 36 18.441 -10.881 8.414 283 HA ASP 36 HA ASP 36 20.980 -12.090 8.236 284 HB2 ASP 36 HB2 ASP 36 19.485 -10.238 6.372 285 HB3 ASP 36 HB3 ASP 36 21.042 -10.939 5.941 286 H ASN 37 H ASN 37 20.094 -8.808 8.990 287 HA ASN 37 HA ASN 37 22.967 -8.013 8.766 288 HB2 ASN 37 HB2 ASN 37 20.784 -6.750 7.710 289 HB3 ASN 37 HB3 ASN 37 20.948 -5.908 9.248 290 HD21 ASN 37 HD21 ASN 37 23.679 -5.939 9.569 291 HD22 ASN 37 HD22 ASN 37 24.410 -4.971 8.338 292 H GLY 38 H GLY 38 21.533 -9.542 10.952 293 HA2 GLY 38 HA2 GLY 38 21.554 -9.558 13.265 294 HA3 GLY 38 HA3 GLY 38 22.878 -8.408 13.155 295 H VAL 39 H VAL 39 22.121 -7.431 15.099 296 HA VAL 39 HA VAL 39 21.042 -5.726 16.202 297 HB VAL 39 HB VAL 39 19.917 -5.045 13.472 298 HG11 VAL 39 HG11 VAL 39 20.032 -2.749 15.035 299 HG12 VAL 39 HG12 VAL 39 18.581 -3.637 14.564 300 HG13 VAL 39 HG13 VAL 39 19.367 -3.984 16.105 301 HG21 VAL 39 HG21 VAL 39 22.456 -5.012 13.882 302 HG22 VAL 39 HG22 VAL 39 21.706 -3.575 13.187 303 HG23 VAL 39 HG23 VAL 39 22.129 -3.609 14.899 304 H ASP 40 H ASP 40 19.330 -5.754 17.519 305 HA ASP 40 HA ASP 40 16.679 -6.476 16.554 306 HB2 ASP 40 HB2 ASP 40 17.659 -8.718 16.753 307 HB3 ASP 40 HB3 ASP 40 18.128 -8.383 18.417 308 H GLY 41 H GLY 41 15.028 -6.301 18.212 309 HA2 GLY 41 HA2 GLY 41 15.471 -5.646 20.893 310 HA3 GLY 41 HA3 GLY 41 15.625 -4.131 20.016 311 H VAL 42 H VAL 42 13.842 -3.006 20.476 312 HA VAL 42 HA VAL 42 11.242 -4.438 20.471 313 HB VAL 42 HB VAL 42 11.947 -1.598 21.259 314 HG11 VAL 42 HG11 VAL 42 9.335 -3.073 21.185 315 HG12 VAL 42 HG12 VAL 42 9.602 -1.718 22.283 316 HG13 VAL 42 HG13 VAL 42 9.725 -1.479 20.540 317 HG21 VAL 42 HG21 VAL 42 10.884 -3.527 23.220 318 HG22 VAL 42 HG22 VAL 42 12.521 -3.840 22.641 319 HG23 VAL 42 HG23 VAL 42 12.134 -2.296 23.400 320 H TRP 43 H TRP 43 9.753 -4.259 18.919 321 HA TRP 43 HA TRP 43 10.389 -2.383 16.682 322 HB2 TRP 43 HB2 TRP 43 9.034 -5.065 16.812 323 HB3 TRP 43 HB3 TRP 43 8.671 -3.965 15.485 324 HD1 TRP 43 HD1 TRP 43 11.718 -5.764 17.054 325 HE1 TRP 43 HE1 TRP 43 13.453 -6.158 15.195 326 HE3 TRP 43 HE3 TRP 43 9.377 -3.312 13.227 327 HZ2 TRP 43 HZ2 TRP 43 13.786 -5.515 12.466 328 HZ3 TRP 43 HZ3 TRP 43 10.471 -3.248 11.024 329 HH2 TRP 43 HH2 TRP 43 12.630 -4.326 10.654 330 H THR 44 H THR 44 8.781 -1.108 15.747 331 HA THR 44 HA THR 44 6.206 -0.988 17.246 332 HB THR 44 HB THR 44 6.859 1.666 16.498 333 HG1 THR 44 HG1 THR 44 8.874 0.729 18.229 334 HG21 THR 44 HG21 THR 44 6.292 2.141 18.672 335 HG22 THR 44 HG22 THR 44 7.130 0.728 19.314 336 HG23 THR 44 HG23 THR 44 5.573 0.539 18.508 337 H TYR 45 H TYR 45 4.563 -1.188 15.897 338 HA TYR 45 HA TYR 45 4.978 -0.284 13.077 339 HB2 TYR 45 HB2 TYR 45 4.557 -2.600 13.019 340 HB3 TYR 45 HB3 TYR 45 3.333 -2.508 14.280 341 HD1 TYR 45 HD1 TYR 45 3.786 -0.671 11.054 342 HD2 TYR 45 HD2 TYR 45 1.298 -3.181 13.423 343 HE1 TYR 45 HE1 TYR 45 2.033 -0.547 9.333 344 HE2 TYR 45 HE2 TYR 45 -0.461 -3.066 11.708 345 HH TYR 45 HH TYR 45 0.079 -1.431 8.629 346 H ASP 46 H ASP 46 3.693 1.224 12.213 347 HA ASP 46 HA ASP 46 1.245 1.980 13.749 348 HB2 ASP 46 HB2 ASP 46 3.180 3.551 14.172 349 HB3 ASP 46 HB3 ASP 46 3.131 3.972 12.462 350 H ASP 47 H ASP 47 -0.183 1.044 12.349 351 HA ASP 47 HA ASP 47 -0.024 1.031 9.544 352 HB2 ASP 47 HB2 ASP 47 -2.244 0.317 9.559 353 HB3 ASP 47 HB3 ASP 47 -1.707 -0.113 11.181 354 H ALA 48 H ALA 48 -1.058 3.573 11.745 355 HA ALA 48 HA ALA 48 -2.514 5.240 10.056 356 HB1 ALA 48 HB1 ALA 48 -2.443 6.420 11.936 357 HB2 ALA 48 HB2 ALA 48 -1.044 5.513 12.510 358 HB3 ALA 48 HB3 ALA 48 -0.815 6.946 11.509 359 H THR 49 H THR 49 0.991 4.739 10.185 360 HA THR 49 HA THR 49 1.188 6.343 7.671 361 HB THR 49 HB THR 49 3.561 6.922 8.496 362 HG1 THR 49 HG1 THR 49 2.326 6.347 11.002 363 HG21 THR 49 HG21 THR 49 2.767 8.972 8.982 364 HG22 THR 49 HG22 THR 49 1.731 8.369 10.276 365 HG23 THR 49 HG23 THR 49 1.194 8.275 8.599 366 H LYS 50 H LYS 50 0.912 3.437 8.212 367 HA LYS 50 HA LYS 50 2.155 1.447 7.917 368 HB2 LYS 50 HB2 LYS 50 2.883 1.455 5.415 369 HB3 LYS 50 HB3 LYS 50 1.180 1.633 5.814 370 HG2 LYS 50 HG2 LYS 50 2.666 4.153 5.604 371 HG3 LYS 50 HG3 LYS 50 2.535 3.231 4.105 372 HD2 LYS 50 HD2 LYS 50 0.419 3.865 3.855 373 HD3 LYS 50 HD3 LYS 50 0.007 3.237 5.452 374 HE2 LYS 50 HE2 LYS 50 0.016 5.278 6.379 375 HE3 LYS 50 HE3 LYS 50 1.482 5.758 5.526 376 HZ1 LYS 50 HZ1 LYS 50 -0.721 5.547 3.743 377 HZ2 LYS 50 HZ2 LYS 50 0.288 6.870 4.044 378 HZ3 LYS 50 HZ3 LYS 50 -1.078 6.612 5.008 379 H THR 51 H THR 51 3.820 2.788 9.476 380 HA THR 51 HA THR 51 6.454 2.349 8.142 381 HB THR 51 HB THR 51 5.915 4.815 8.361 382 HG1 THR 51 HG1 THR 51 8.094 3.884 8.335 383 HG21 THR 51 HG21 THR 51 6.522 4.529 11.278 384 HG22 THR 51 HG22 THR 51 4.861 4.376 10.705 385 HG23 THR 51 HG23 THR 51 5.758 5.867 10.420 386 H PHE 52 H PHE 52 7.945 1.267 9.313 387 HA PHE 52 HA PHE 52 7.090 0.467 12.062 388 HB2 PHE 52 HB2 PHE 52 8.913 -0.953 10.096 389 HB3 PHE 52 HB3 PHE 52 8.529 -1.523 11.717 390 HD1 PHE 52 HD2 PHE 52 6.975 -0.647 8.462 391 HD2 PHE 52 HD1 PHE 52 6.667 -2.861 12.084 392 HE1 PHE 52 HE2 PHE 52 4.997 -1.812 7.577 393 HE2 PHE 52 HE1 PHE 52 4.689 -4.031 11.204 394 HZ PHE 52 HZ PHE 52 3.851 -3.506 8.949 395 H THR 53 H THR 53 8.824 0.042 13.631 396 HA THR 53 HA THR 53 11.290 1.627 13.106 397 HB THR 53 HB THR 53 10.043 1.936 15.799 398 HG1 THR 53 HG1 THR 53 9.183 3.368 13.486 399 HG21 THR 53 HG21 THR 53 12.147 2.961 15.551 400 HG22 THR 53 HG22 THR 53 10.986 4.280 15.390 401 HG23 THR 53 HG23 THR 53 11.746 3.592 13.955 402 H VAL 54 H VAL 54 13.011 0.449 13.570 403 HA VAL 54 HA VAL 54 12.718 -1.642 15.694 404 HB VAL 54 HB VAL 54 13.046 -2.652 13.501 405 HG11 VAL 54 HG11 VAL 54 15.762 -1.460 13.228 406 HG12 VAL 54 HG12 VAL 54 14.674 -2.088 11.988 407 HG13 VAL 54 HG13 VAL 54 14.363 -0.514 12.721 408 HG21 VAL 54 HG21 VAL 54 15.612 -2.827 15.072 409 HG22 VAL 54 HG22 VAL 54 14.114 -3.637 15.529 410 HG23 VAL 54 HG23 VAL 54 14.918 -4.058 14.016 411 H THR 55 H THR 55 13.822 -1.252 17.477 412 HA THR 55 HA THR 55 16.249 0.480 17.252 413 HB THR 55 HB THR 55 15.169 0.034 19.951 414 HG1 THR 55 HG1 THR 55 13.596 1.262 17.927 415 HG21 THR 55 HG21 THR 55 16.692 1.947 18.538 416 HG22 THR 55 HG22 THR 55 16.276 1.943 20.252 417 HG23 THR 55 HG23 THR 55 15.231 2.763 19.092 418 H GLU 56 H GLU 56 18.079 0.002 18.588 419 HA GLU 56 HA GLU 56 18.448 -2.919 18.851 420 HB2 GLU 56 HB2 GLU 56 20.130 -0.651 18.280 421 HB3 GLU 56 HB3 GLU 56 20.780 -1.528 19.657 422 HG2 GLU 56 HG2 GLU 56 20.148 -3.537 17.898 423 HG3 GLU 56 HG3 GLU 56 20.719 -2.247 16.842 Start of MODEL 35 1 H1 MET 1 H MET 1 -0.133 0.995 -0.478 2 HA MET 1 HA MET 1 1.406 -1.311 -0.744 3 HB2 MET 1 HB2 MET 1 0.965 0.988 -2.650 4 HB3 MET 1 HB3 MET 1 1.801 -0.492 -3.100 5 HG2 MET 1 HG2 MET 1 -0.167 -1.326 -3.665 6 HG3 MET 1 HG3 MET 1 -0.570 -1.357 -1.950 7 HE1 MET 1 HE1 MET 1 -1.022 0.197 -5.357 8 HE2 MET 1 HE2 MET 1 -2.429 -0.768 -4.911 9 HE3 MET 1 HE3 MET 1 -2.596 0.970 -5.167 10 H GLN 2 H GLN 2 2.556 0.733 1.088 11 HA GLN 2 HA GLN 2 5.315 0.382 0.250 12 HB2 GLN 2 HB2 GLN 2 4.020 2.741 -0.611 13 HB3 GLN 2 HB3 GLN 2 5.051 3.215 0.732 14 HG2 GLN 2 HG2 GLN 2 6.951 2.829 -0.409 15 HG3 GLN 2 HG3 GLN 2 6.284 1.439 -1.264 16 HE21 GLN 2 HE21 GLN 2 5.531 1.695 -3.282 17 HE22 GLN 2 HE22 GLN 2 5.468 3.203 -4.124 18 H TYR 3 H TYR 3 6.523 0.106 2.003 19 HA TYR 3 HA TYR 3 5.473 1.246 4.564 20 HB2 TYR 3 HB2 TYR 3 6.973 -1.351 4.110 21 HB3 TYR 3 HB3 TYR 3 6.519 -0.707 5.684 22 HD1 TYR 3 HD1 TYR 3 4.000 -0.317 6.100 23 HD2 TYR 3 HD2 TYR 3 5.513 -2.755 2.958 24 HE1 TYR 3 HE1 TYR 3 1.825 -1.453 5.942 25 HE2 TYR 3 HE2 TYR 3 3.341 -3.897 2.791 26 HH TYR 3 HH TYR 3 0.712 -3.185 5.046 27 H LYS 4 H LYS 4 6.953 2.018 6.089 28 HA LYS 4 HA LYS 4 9.660 2.565 4.934 29 HB2 LYS 4 HB2 LYS 4 8.434 4.619 5.122 30 HB3 LYS 4 HB3 LYS 4 7.911 4.234 6.756 31 HG2 LYS 4 HG2 LYS 4 9.676 5.924 6.727 32 HG3 LYS 4 HG3 LYS 4 10.183 4.457 7.567 33 HD2 LYS 4 HD2 LYS 4 11.915 4.234 6.192 34 HD3 LYS 4 HD3 LYS 4 10.837 4.225 4.794 35 HE2 LYS 4 HE2 LYS 4 10.806 6.782 5.068 36 HE3 LYS 4 HE3 LYS 4 12.222 6.549 6.093 37 HZ1 LYS 4 HZ1 LYS 4 12.439 6.951 3.521 38 HZ2 LYS 4 HZ2 LYS 4 12.214 5.276 3.459 39 HZ3 LYS 4 HZ3 LYS 4 13.504 5.923 4.341 40 H LEU 5 H LEU 5 11.452 2.149 6.120 41 HA LEU 5 HA LEU 5 11.006 1.168 8.908 42 HB2 LEU 5 HB2 LEU 5 11.310 -0.803 7.653 43 HB3 LEU 5 HB3 LEU 5 12.595 -0.089 6.681 44 HG LEU 5 HG LEU 5 14.085 -0.135 8.630 45 HD11 LEU 5 HD11 LEU 5 12.753 -1.926 10.338 46 HD12 LEU 5 HD12 LEU 5 11.631 -0.602 10.024 47 HD13 LEU 5 HD13 LEU 5 13.236 -0.263 10.672 48 HD21 LEU 5 HD21 LEU 5 13.591 -2.135 6.988 49 HD22 LEU 5 HD22 LEU 5 12.995 -2.900 8.461 50 HD23 LEU 5 HD23 LEU 5 14.664 -2.333 8.374 51 H VAL 6 H VAL 6 12.610 1.598 10.403 52 HA VAL 6 HA VAL 6 14.882 3.267 9.410 53 HB VAL 6 HB VAL 6 13.170 3.854 11.842 54 HG11 VAL 6 HG11 VAL 6 14.655 5.980 11.786 55 HG12 VAL 6 HG12 VAL 6 15.294 4.501 12.505 56 HG13 VAL 6 HG13 VAL 6 15.772 4.967 10.873 57 HG21 VAL 6 HG21 VAL 6 13.282 4.946 9.087 58 HG22 VAL 6 HG22 VAL 6 11.908 4.758 10.177 59 HG23 VAL 6 HG23 VAL 6 13.041 6.090 10.408 60 H ILE 7 H ILE 7 16.679 2.188 9.836 61 HA ILE 7 HA ILE 7 16.759 0.454 12.248 62 HB ILE 7 HB ILE 7 18.714 0.705 9.947 63 HG12 ILE 7 HG12 ILE 7 17.093 -1.740 10.488 64 HG13 ILE 7 HG13 ILE 7 16.289 -0.368 9.733 65 HG21 ILE 7 HG21 ILE 7 19.899 0.014 11.901 66 HG22 ILE 7 HG22 ILE 7 18.644 -1.153 12.316 67 HG23 ILE 7 HG23 ILE 7 19.651 -1.410 10.891 68 HD11 ILE 7 HD11 ILE 7 18.751 -0.810 8.392 69 HD12 ILE 7 HD12 ILE 7 17.896 -2.347 8.527 70 HD13 ILE 7 HD13 ILE 7 17.107 -0.963 7.773 71 H ASN 8 H ASN 8 17.306 1.505 14.047 72 HA ASN 8 HA ASN 8 19.613 3.401 13.858 73 HB2 ASN 8 HB2 ASN 8 17.064 3.471 15.410 74 HB3 ASN 8 HB3 ASN 8 18.506 4.111 16.193 75 HD21 ASN 8 HD21 ASN 8 19.856 5.460 14.476 76 HD22 ASN 8 HD22 ASN 8 18.929 6.686 13.687 77 H GLY 9 H GLY 9 20.722 1.164 13.960 78 HA2 GLY 9 HA2 GLY 9 20.767 -0.014 16.646 79 HA3 GLY 9 HA3 GLY 9 21.712 -0.525 15.255 80 H LYS 10 H LYS 10 22.347 0.081 18.167 81 HA LYS 10 HA LYS 10 23.845 2.423 18.445 82 HB2 LYS 10 HB2 LYS 10 23.607 -0.099 19.798 83 HB3 LYS 10 HB3 LYS 10 25.309 0.338 19.713 84 HG2 LYS 10 HG2 LYS 10 23.905 2.667 20.450 85 HG3 LYS 10 HG3 LYS 10 23.275 1.347 21.437 86 HD2 LYS 10 HD2 LYS 10 25.287 0.979 22.472 87 HD3 LYS 10 HD3 LYS 10 26.224 1.576 21.100 88 HE2 LYS 10 HE2 LYS 10 26.529 3.332 22.506 89 HE3 LYS 10 HE3 LYS 10 25.009 3.847 21.776 90 HZ1 LYS 10 HZ1 LYS 10 24.351 4.013 23.896 91 HZ2 LYS 10 HZ2 LYS 10 25.558 2.982 24.480 92 HZ3 LYS 10 HZ3 LYS 10 24.146 2.335 23.809 93 H THR 11 H THR 11 24.598 -0.490 16.648 94 HA THR 11 HA THR 11 27.266 0.696 15.984 95 HB THR 11 HB THR 11 27.992 -1.583 15.390 96 HG1 THR 11 HG1 THR 11 25.990 -2.526 14.890 97 HG21 THR 11 HG21 THR 11 28.057 -2.518 17.678 98 HG22 THR 11 HG22 THR 11 26.845 -1.336 18.174 99 HG23 THR 11 HG23 THR 11 28.437 -0.796 17.642 100 H LEU 12 H LEU 12 24.471 -1.124 14.695 101 HA LEU 12 HA LEU 12 25.320 -0.312 11.955 102 HB2 LEU 12 HB2 LEU 12 24.972 -2.630 12.039 103 HB3 LEU 12 HB3 LEU 12 23.518 -2.470 13.022 104 HG LEU 12 HG LEU 12 22.248 -1.714 11.138 105 HD11 LEU 12 HD11 LEU 12 23.371 -0.428 9.688 106 HD12 LEU 12 HD12 LEU 12 23.739 -1.950 8.878 107 HD13 LEU 12 HD13 LEU 12 24.905 -1.243 9.995 108 HD21 LEU 12 HD21 LEU 12 22.590 -3.667 9.566 109 HD22 LEU 12 HD22 LEU 12 22.322 -4.071 11.262 110 HD23 LEU 12 HD23 LEU 12 23.951 -4.131 10.587 111 H LYS 13 H LYS 13 24.395 1.395 11.073 112 HA LYS 13 HA LYS 13 21.557 1.969 11.817 113 HB2 LYS 13 HB2 LYS 13 23.857 3.580 12.343 114 HB3 LYS 13 HB3 LYS 13 22.898 4.395 11.115 115 HG2 LYS 13 HG2 LYS 13 21.011 4.510 12.519 116 HG3 LYS 13 HG3 LYS 13 21.700 3.359 13.667 117 HD2 LYS 13 HD2 LYS 13 23.356 5.732 13.211 118 HD3 LYS 13 HD3 LYS 13 21.778 6.081 13.920 119 HE2 LYS 13 HE2 LYS 13 23.658 3.985 14.989 120 HE3 LYS 13 HE3 LYS 13 23.633 5.651 15.564 121 HZ1 LYS 13 HZ1 LYS 13 22.270 4.509 17.038 122 HZ2 LYS 13 HZ2 LYS 13 21.539 3.586 15.824 123 HZ3 LYS 13 HZ3 LYS 13 21.168 5.229 15.975 124 H GLY 14 H GLY 14 20.196 2.495 10.185 125 HA2 GLY 14 HA2 GLY 14 21.033 3.547 7.670 126 HA3 GLY 14 HA3 GLY 14 20.904 1.800 7.533 127 H GLU 15 H GLU 15 19.280 2.516 5.875 128 HA GLU 15 HA GLU 15 16.631 2.386 7.156 129 HB2 GLU 15 HB2 GLU 15 17.604 4.877 6.449 130 HB3 GLU 15 HB3 GLU 15 16.660 4.417 5.039 131 HG2 GLU 15 HG2 GLU 15 14.682 4.224 6.295 132 HG3 GLU 15 HG3 GLU 15 15.558 4.254 7.824 133 H THR 16 H THR 16 14.896 1.935 5.618 134 HA THR 16 HA THR 16 15.505 1.324 2.868 135 HB THR 16 HB THR 16 16.723 -0.562 3.876 136 HG1 THR 16 HG1 THR 16 15.362 -2.249 2.802 137 HG21 THR 16 HG21 THR 16 15.308 -2.366 4.977 138 HG22 THR 16 HG22 THR 16 14.065 -1.130 5.170 139 HG23 THR 16 HG23 THR 16 15.636 -0.928 5.943 140 H THR 17 H THR 17 13.690 0.029 1.835 141 HA THR 17 HA THR 17 11.148 0.389 3.354 142 HB THR 17 HB THR 17 10.135 1.117 1.096 143 HG1 THR 17 HG1 THR 17 12.351 0.651 0.090 144 HG21 THR 17 HG21 THR 17 11.689 3.427 1.717 145 HG22 THR 17 HG22 THR 17 11.336 2.567 3.216 146 HG23 THR 17 HG23 THR 17 10.019 3.071 2.157 147 H THR 18 H THR 18 9.305 -0.776 2.388 148 HA THR 18 HA THR 18 10.000 -2.940 0.516 149 HB THR 18 HB THR 18 10.594 -3.730 2.884 150 HG1 THR 18 HG1 THR 18 8.674 -5.152 1.326 151 HG21 THR 18 HG21 THR 18 8.503 -2.709 3.889 152 HG22 THR 18 HG22 THR 18 8.849 -4.374 4.357 153 HG23 THR 18 HG23 THR 18 7.609 -4.036 3.149 154 H LYS 19 H LYS 19 8.230 -3.880 -0.485 155 HA LYS 19 HA LYS 19 5.641 -2.509 0.118 156 HB2 LYS 19 HB2 LYS 19 6.269 -1.901 -2.067 157 HB3 LYS 19 HB3 LYS 19 6.869 -3.510 -2.446 158 HG2 LYS 19 HG2 LYS 19 4.033 -3.475 -1.789 159 HG3 LYS 19 HG3 LYS 19 4.442 -2.482 -3.190 160 HD2 LYS 19 HD2 LYS 19 5.279 -5.358 -2.831 161 HD3 LYS 19 HD3 LYS 19 3.870 -4.836 -3.759 162 HE2 LYS 19 HE2 LYS 19 5.749 -3.281 -4.878 163 HE3 LYS 19 HE3 LYS 19 6.751 -4.650 -4.400 164 HZ1 LYS 19 HZ1 LYS 19 5.061 -4.447 -6.610 165 HZ2 LYS 19 HZ2 LYS 19 4.402 -5.621 -5.587 166 HZ3 LYS 19 HZ3 LYS 19 5.995 -5.774 -6.132 167 H ALA 20 H ALA 20 4.092 -3.701 0.979 168 HA ALA 20 HA ALA 20 3.920 -6.565 0.193 169 HB1 ALA 20 HB1 ALA 20 4.587 -5.537 2.855 170 HB2 ALA 20 HB2 ALA 20 3.238 -6.675 2.845 171 HB3 ALA 20 HB3 ALA 20 4.797 -7.149 2.171 172 H VAL 21 H VAL 21 1.851 -7.497 0.391 173 HA VAL 21 HA VAL 21 -0.300 -5.804 -0.259 174 HB VAL 21 HB VAL 21 -0.541 -8.509 1.080 175 HG11 VAL 21 HG11 VAL 21 -2.470 -6.668 0.176 176 HG12 VAL 21 HG12 VAL 21 -2.444 -7.990 -0.992 177 HG13 VAL 21 HG13 VAL 21 -2.723 -8.327 0.718 178 HG21 VAL 21 HG21 VAL 21 0.772 -9.133 -0.662 179 HG22 VAL 21 HG22 VAL 21 -0.768 -9.085 -1.520 180 HG23 VAL 21 HG23 VAL 21 0.347 -7.723 -1.633 181 H ASP 22 H ASP 22 0.609 -7.216 2.893 182 HA ASP 22 HA ASP 22 -1.058 -5.108 4.177 183 HB2 ASP 22 HB2 ASP 22 -1.682 -6.904 5.912 184 HB3 ASP 22 HB3 ASP 22 -2.512 -6.955 4.359 185 H ALA 23 H ALA 23 -0.627 -5.174 6.666 186 HA ALA 23 HA ALA 23 2.179 -4.640 6.988 187 HB1 ALA 23 HB1 ALA 23 0.697 -3.387 8.319 188 HB2 ALA 23 HB2 ALA 23 -0.125 -4.828 8.919 189 HB3 ALA 23 HB3 ALA 23 1.520 -4.469 9.443 190 H GLU 24 H GLU 24 0.051 -7.248 8.223 191 HA GLU 24 HA GLU 24 1.947 -8.649 9.729 192 HB2 GLU 24 HB2 GLU 24 -0.311 -9.356 9.830 193 HB3 GLU 24 HB3 GLU 24 -0.408 -9.589 8.090 194 HG2 GLU 24 HG2 GLU 24 0.842 -11.565 8.170 195 HG3 GLU 24 HG3 GLU 24 1.425 -11.231 9.799 196 H THR 25 H THR 25 1.552 -8.470 6.244 197 HA THR 25 HA THR 25 3.259 -10.745 5.671 198 HB THR 25 HB THR 25 2.361 -8.425 3.938 199 HG1 THR 25 HG1 THR 25 1.429 -11.047 4.427 200 HG21 THR 25 HG21 THR 25 3.038 -10.025 2.066 201 HG22 THR 25 HG22 THR 25 3.980 -10.876 3.290 202 HG23 THR 25 HG23 THR 25 4.339 -9.191 2.914 203 H ALA 26 H ALA 26 3.704 -7.195 5.678 204 HA ALA 26 HA ALA 26 6.427 -7.250 4.819 205 HB1 ALA 26 HB1 ALA 26 4.525 -5.297 5.757 206 HB2 ALA 26 HB2 ALA 26 6.112 -5.006 6.471 207 HB3 ALA 26 HB3 ALA 26 5.935 -5.084 4.718 208 H GLU 27 H GLU 27 4.897 -7.694 7.954 209 HA GLU 27 HA GLU 27 7.202 -7.248 9.577 210 HB2 GLU 27 HB2 GLU 27 4.629 -7.687 10.130 211 HB3 GLU 27 HB3 GLU 27 5.208 -9.331 10.357 212 HG2 GLU 27 HG2 GLU 27 6.101 -8.839 12.324 213 HG3 GLU 27 HG3 GLU 27 6.921 -7.419 11.678 214 H LYS 28 H LYS 28 6.138 -9.978 7.646 215 HA LYS 28 HA LYS 28 7.986 -11.862 8.880 216 HB2 LYS 28 HB2 LYS 28 5.786 -12.341 7.588 217 HB3 LYS 28 HB3 LYS 28 6.767 -12.168 6.138 218 HG2 LYS 28 HG2 LYS 28 7.056 -14.378 6.381 219 HG3 LYS 28 HG3 LYS 28 8.289 -13.892 7.547 220 HD2 LYS 28 HD2 LYS 28 7.162 -14.851 9.209 221 HD3 LYS 28 HD3 LYS 28 5.708 -13.935 8.806 222 HE2 LYS 28 HE2 LYS 28 6.503 -16.357 7.228 223 HE3 LYS 28 HE3 LYS 28 5.611 -16.512 8.741 224 HZ1 LYS 28 HZ1 LYS 28 3.738 -15.926 7.737 225 HZ2 LYS 28 HZ2 LYS 28 4.547 -16.056 6.257 226 HZ3 LYS 28 HZ3 LYS 28 4.441 -14.557 7.034 227 H ALA 29 H ALA 29 7.916 -9.893 5.907 228 HA ALA 29 HA ALA 29 10.434 -10.918 4.922 229 HB1 ALA 29 HB1 ALA 29 9.704 -8.233 4.023 230 HB2 ALA 29 HB2 ALA 29 9.942 -9.717 3.100 231 HB3 ALA 29 HB3 ALA 29 8.391 -9.402 3.879 232 H PHE 30 H PHE 30 9.463 -7.917 6.619 233 HA PHE 30 HA PHE 30 11.947 -6.628 6.648 234 HB2 PHE 30 HB2 PHE 30 9.522 -6.597 8.356 235 HB3 PHE 30 HB3 PHE 30 10.984 -5.958 9.099 236 HD1 PHE 30 HD2 PHE 30 12.351 -4.588 6.992 237 HD2 PHE 30 HD1 PHE 30 8.169 -4.849 7.742 238 HE1 PHE 30 HE2 PHE 30 12.011 -2.452 5.821 239 HE2 PHE 30 HE1 PHE 30 7.822 -2.713 6.572 240 HZ PHE 30 HZ PHE 30 9.745 -1.511 5.610 241 H LYS 31 H LYS 31 10.685 -9.090 8.905 242 HA LYS 31 HA LYS 31 12.753 -9.079 10.787 243 HB2 LYS 31 HB2 LYS 31 10.944 -11.222 9.715 244 HB3 LYS 31 HB3 LYS 31 12.225 -11.659 10.838 245 HG2 LYS 31 HG2 LYS 31 10.075 -9.617 11.367 246 HG3 LYS 31 HG3 LYS 31 10.078 -11.280 11.959 247 HD2 LYS 31 HD2 LYS 31 12.278 -10.764 13.070 248 HD3 LYS 31 HD3 LYS 31 12.009 -9.071 12.648 249 HE2 LYS 31 HE2 LYS 31 10.164 -8.888 14.061 250 HE3 LYS 31 HE3 LYS 31 9.930 -10.634 14.137 251 HZ1 LYS 31 HZ1 LYS 31 12.483 -9.997 15.131 252 HZ2 LYS 31 HZ2 LYS 31 11.182 -10.709 15.944 253 HZ3 LYS 31 HZ3 LYS 31 11.341 -9.025 15.914 254 H GLN 32 H GLN 32 12.664 -10.544 7.561 255 HA GLN 32 HA GLN 32 15.070 -12.070 7.835 256 HB2 GLN 32 HB2 GLN 32 13.384 -12.384 6.037 257 HB3 GLN 32 HB3 GLN 32 13.877 -10.852 5.327 258 HG2 GLN 32 HG2 GLN 32 15.316 -12.009 4.106 259 HG3 GLN 32 HG3 GLN 32 16.244 -12.253 5.585 260 HE21 GLN 32 HE21 GLN 32 15.144 -13.824 3.023 261 HE22 GLN 32 HE22 GLN 32 14.861 -15.391 3.692 262 H TYR 33 H TYR 33 14.492 -8.902 6.238 263 HA TYR 33 HA TYR 33 17.129 -8.319 5.551 264 HB2 TYR 33 HB2 TYR 33 15.117 -6.958 4.969 265 HB3 TYR 33 HB3 TYR 33 15.103 -6.327 6.611 266 HD1 TYR 33 HD1 TYR 33 17.557 -6.738 3.814 267 HD2 TYR 33 HD2 TYR 33 16.034 -4.244 6.907 268 HE1 TYR 33 HE1 TYR 33 19.112 -4.957 3.136 269 HE2 TYR 33 HE2 TYR 33 17.584 -2.456 6.236 270 HH TYR 33 HH TYR 33 20.074 -2.988 3.834 271 H ALA 34 H ALA 34 15.534 -8.023 8.696 272 HA ALA 34 HA ALA 34 17.723 -6.589 9.937 273 HB1 ALA 34 HB1 ALA 34 16.222 -6.340 11.556 274 HB2 ALA 34 HB2 ALA 34 15.103 -7.345 10.635 275 HB3 ALA 34 HB3 ALA 34 16.166 -8.080 11.835 276 H ASN 35 H ASN 35 16.517 -9.944 10.423 277 HA ASN 35 HA ASN 35 18.589 -10.900 11.996 278 HB2 ASN 35 HB2 ASN 35 16.750 -12.137 9.999 279 HB3 ASN 35 HB3 ASN 35 18.126 -13.103 10.526 280 HD21 ASN 35 HD21 ASN 35 16.560 -14.534 11.443 281 HD22 ASN 35 HD22 ASN 35 15.860 -14.181 12.983 282 H ASP 36 H ASP 36 18.459 -11.033 8.409 283 HA ASP 36 HA ASP 36 20.990 -12.172 7.993 284 HB2 ASP 36 HB2 ASP 36 19.553 -10.091 6.315 285 HB3 ASP 36 HB3 ASP 36 20.913 -11.067 5.766 286 H ASN 37 H ASN 37 20.099 -8.816 8.680 287 HA ASN 37 HA ASN 37 22.973 -8.057 8.498 288 HB2 ASN 37 HB2 ASN 37 20.639 -6.755 7.682 289 HB3 ASN 37 HB3 ASN 37 21.123 -5.898 9.143 290 HD21 ASN 37 HD21 ASN 37 23.727 -5.767 9.133 291 HD22 ASN 37 HD22 ASN 37 24.343 -5.006 7.709 292 H GLY 38 H GLY 38 21.612 -9.653 10.685 293 HA2 GLY 38 HA2 GLY 38 21.762 -9.756 12.990 294 HA3 GLY 38 HA3 GLY 38 23.030 -8.544 12.873 295 H VAL 39 H VAL 39 22.205 -7.802 14.949 296 HA VAL 39 HA VAL 39 21.100 -6.184 16.153 297 HB VAL 39 HB VAL 39 19.776 -5.296 13.581 298 HG11 VAL 39 HG11 VAL 39 19.625 -4.412 16.271 299 HG12 VAL 39 HG12 VAL 39 20.476 -3.178 15.341 300 HG13 VAL 39 HG13 VAL 39 18.870 -3.710 14.841 301 HG21 VAL 39 HG21 VAL 39 22.526 -4.732 14.649 302 HG22 VAL 39 HG22 VAL 39 22.061 -5.281 13.039 303 HG23 VAL 39 HG23 VAL 39 21.708 -3.628 13.543 304 H ASP 40 H ASP 40 19.365 -6.297 17.445 305 HA ASP 40 HA ASP 40 16.753 -7.079 16.403 306 HB2 ASP 40 HB2 ASP 40 17.964 -9.270 16.635 307 HB3 ASP 40 HB3 ASP 40 18.115 -8.951 18.361 308 H GLY 41 H GLY 41 15.338 -5.883 17.468 309 HA2 GLY 41 HA2 GLY 41 15.662 -5.582 20.395 310 HA3 GLY 41 HA3 GLY 41 15.673 -4.110 19.434 311 H VAL 42 H VAL 42 13.814 -3.187 20.163 312 HA VAL 42 HA VAL 42 11.340 -4.821 20.059 313 HB VAL 42 HB VAL 42 11.629 -3.493 22.058 314 HG11 VAL 42 HG11 VAL 42 11.318 -0.837 21.059 315 HG12 VAL 42 HG12 VAL 42 12.617 -1.506 22.049 316 HG13 VAL 42 HG13 VAL 42 12.718 -1.583 20.289 317 HG21 VAL 42 HG21 VAL 42 9.579 -1.870 20.666 318 HG22 VAL 42 HG22 VAL 42 9.366 -3.620 20.653 319 HG23 VAL 42 HG23 VAL 42 9.481 -2.757 22.187 320 H TRP 43 H TRP 43 10.057 -4.816 18.352 321 HA TRP 43 HA TRP 43 10.400 -2.629 16.364 322 HB2 TRP 43 HB2 TRP 43 9.276 -5.426 16.225 323 HB3 TRP 43 HB3 TRP 43 8.938 -4.244 14.963 324 HD1 TRP 43 HD1 TRP 43 12.042 -5.834 16.669 325 HE1 TRP 43 HE1 TRP 43 13.898 -6.037 14.898 326 HE3 TRP 43 HE3 TRP 43 9.664 -3.586 12.742 327 HZ2 TRP 43 HZ2 TRP 43 14.301 -5.336 12.193 328 HZ3 TRP 43 HZ3 TRP 43 10.854 -3.392 10.597 329 HH2 TRP 43 HH2 TRP 43 13.125 -4.249 10.331 330 H THR 44 H THR 44 8.488 -1.762 15.279 331 HA THR 44 HA THR 44 5.972 -1.968 16.826 332 HB THR 44 HB THR 44 5.776 0.551 16.867 333 HG1 THR 44 HG1 THR 44 8.520 0.306 16.167 334 HG21 THR 44 HG21 THR 44 6.993 0.801 18.924 335 HG22 THR 44 HG22 THR 44 8.064 -0.537 18.507 336 HG23 THR 44 HG23 THR 44 6.363 -0.844 18.855 337 H TYR 45 H TYR 45 4.131 -1.028 15.739 338 HA TYR 45 HA TYR 45 4.610 -0.478 12.847 339 HB2 TYR 45 HB2 TYR 45 3.954 -2.729 12.735 340 HB3 TYR 45 HB3 TYR 45 2.803 -2.565 14.055 341 HD1 TYR 45 HD2 TYR 45 3.317 -0.823 10.781 342 HD2 TYR 45 HD1 TYR 45 0.634 -2.886 13.360 343 HE1 TYR 45 HE2 TYR 45 1.505 -0.491 9.152 344 HE2 TYR 45 HE1 TYR 45 -1.185 -2.561 11.737 345 HH TYR 45 HH TYR 45 -0.940 -2.025 8.783 346 H ASP 46 H ASP 46 3.396 1.106 11.986 347 HA ASP 46 HA ASP 46 1.121 2.117 13.634 348 HB2 ASP 46 HB2 ASP 46 3.247 3.495 13.882 349 HB3 ASP 46 HB3 ASP 46 3.071 3.920 12.181 350 H ASP 47 H ASP 47 -0.400 1.173 12.291 351 HA ASP 47 HA ASP 47 -0.422 1.136 9.503 352 HB2 ASP 47 HB2 ASP 47 -2.706 0.648 9.647 353 HB3 ASP 47 HB3 ASP 47 -2.101 0.159 11.227 354 H ALA 48 H ALA 48 -1.014 3.819 11.676 355 HA ALA 48 HA ALA 48 -2.452 5.576 10.053 356 HB1 ALA 48 HB1 ALA 48 -1.992 7.057 11.663 357 HB2 ALA 48 HB2 ALA 48 -1.122 5.744 12.458 358 HB3 ALA 48 HB3 ALA 48 -0.249 6.895 11.446 359 H THR 49 H THR 49 1.115 5.199 10.196 360 HA THR 49 HA THR 49 1.198 6.394 7.454 361 HB THR 49 HB THR 49 3.218 7.539 7.947 362 HG1 THR 49 HG1 THR 49 3.217 6.056 10.377 363 HG21 THR 49 HG21 THR 49 1.024 8.445 8.934 364 HG22 THR 49 HG22 THR 49 2.537 9.131 9.526 365 HG23 THR 49 HG23 THR 49 1.673 7.936 10.492 366 H LYS 50 H LYS 50 1.003 3.585 8.280 367 HA LYS 50 HA LYS 50 2.280 1.599 8.206 368 HB2 LYS 50 HB2 LYS 50 3.107 1.417 5.719 369 HB3 LYS 50 HB3 LYS 50 1.388 1.511 6.076 370 HG2 LYS 50 HG2 LYS 50 2.721 4.096 5.661 371 HG3 LYS 50 HG3 LYS 50 2.652 3.040 4.248 372 HD2 LYS 50 HD2 LYS 50 0.497 3.502 3.947 373 HD3 LYS 50 HD3 LYS 50 0.122 3.033 5.607 374 HE2 LYS 50 HE2 LYS 50 0.003 5.160 6.294 375 HE3 LYS 50 HE3 LYS 50 1.457 5.619 5.408 376 HZ1 LYS 50 HZ1 LYS 50 -1.317 5.871 4.652 377 HZ2 LYS 50 HZ2 LYS 50 -0.323 5.263 3.427 378 HZ3 LYS 50 HZ3 LYS 50 0.030 6.756 4.138 379 H THR 51 H THR 51 3.883 3.025 9.695 380 HA THR 51 HA THR 51 6.559 2.650 8.412 381 HB THR 51 HB THR 51 5.702 4.910 10.241 382 HG1 THR 51 HG1 THR 51 6.078 6.168 8.470 383 HG21 THR 51 HG21 THR 51 8.379 3.807 9.587 384 HG22 THR 51 HG22 THR 51 7.817 4.626 11.044 385 HG23 THR 51 HG23 THR 51 8.210 5.562 9.602 386 H PHE 52 H PHE 52 7.950 1.418 9.504 387 HA PHE 52 HA PHE 52 7.147 0.631 12.271 388 HB2 PHE 52 HB2 PHE 52 9.011 -0.828 10.375 389 HB3 PHE 52 HB3 PHE 52 8.373 -1.424 11.904 390 HD1 PHE 52 HD1 PHE 52 7.495 -0.534 8.437 391 HD2 PHE 52 HD2 PHE 52 6.232 -2.419 12.038 392 HE1 PHE 52 HE1 PHE 52 5.580 -1.518 7.246 393 HE2 PHE 52 HE2 PHE 52 4.315 -3.407 10.852 394 HZ PHE 52 HZ PHE 52 3.988 -2.958 8.453 395 H THR 53 H THR 53 8.945 0.084 13.767 396 HA THR 53 HA THR 53 11.407 1.666 13.228 397 HB THR 53 HB THR 53 10.034 1.880 15.904 398 HG1 THR 53 HG1 THR 53 8.939 3.647 15.200 399 HG21 THR 53 HG21 THR 53 12.491 2.784 14.783 400 HG22 THR 53 HG22 THR 53 11.861 3.047 16.410 401 HG23 THR 53 HG23 THR 53 11.484 4.191 15.122 402 H VAL 54 H VAL 54 13.129 0.455 13.594 403 HA VAL 54 HA VAL 54 12.850 -1.780 15.562 404 HB VAL 54 HB VAL 54 13.305 -2.616 13.344 405 HG11 VAL 54 HG11 VAL 54 15.256 -1.967 12.054 406 HG12 VAL 54 HG12 VAL 54 14.257 -0.554 12.400 407 HG13 VAL 54 HG13 VAL 54 15.739 -0.834 13.316 408 HG21 VAL 54 HG21 VAL 54 14.455 -3.644 15.311 409 HG22 VAL 54 HG22 VAL 54 15.268 -3.915 13.769 410 HG23 VAL 54 HG23 VAL 54 15.889 -2.706 14.893 411 H THR 55 H THR 55 14.115 -1.849 17.306 412 HA THR 55 HA THR 55 16.322 0.171 17.440 413 HB THR 55 HB THR 55 15.354 -0.881 20.006 414 HG1 THR 55 HG1 THR 55 13.595 0.374 18.192 415 HG21 THR 55 HG21 THR 55 15.925 1.189 20.742 416 HG22 THR 55 HG22 THR 55 15.250 1.996 19.326 417 HG23 THR 55 HG23 THR 55 16.833 1.224 19.231 418 H GLU 56 H GLU 56 17.642 -0.610 19.668 419 HA GLU 56 HA GLU 56 18.621 -3.326 18.887 420 HB2 GLU 56 HB2 GLU 56 19.979 -0.805 19.412 421 HB3 GLU 56 HB3 GLU 56 20.597 -2.094 20.435 422 HG2 GLU 56 HG2 GLU 56 20.314 -2.367 17.459 423 HG3 GLU 56 HG3 GLU 56 21.772 -1.754 18.237 Start of MODEL 36 1 H1 MET 1 H MET 1 0.929 2.242 -0.547 2 HA MET 1 HA MET 1 0.911 -0.690 -0.258 3 HB2 MET 1 HB2 MET 1 -0.016 0.307 -2.448 4 HB3 MET 1 HB3 MET 1 1.656 0.708 -2.814 5 HG2 MET 1 HG2 MET 1 2.213 -1.421 -3.257 6 HG3 MET 1 HG3 MET 1 1.184 -2.067 -1.980 7 HE1 MET 1 HE1 MET 1 0.691 -2.164 -6.293 8 HE2 MET 1 HE2 MET 1 2.067 -2.133 -5.190 9 HE3 MET 1 HE3 MET 1 1.053 -3.573 -5.295 10 H GLN 2 H GLN 2 2.528 1.474 1.041 11 HA GLN 2 HA GLN 2 5.128 0.186 0.570 12 HB2 GLN 2 HB2 GLN 2 4.506 2.654 -0.695 13 HB3 GLN 2 HB3 GLN 2 5.627 3.015 0.611 14 HG2 GLN 2 HG2 GLN 2 7.250 1.505 -0.266 15 HG3 GLN 2 HG3 GLN 2 6.108 0.889 -1.459 16 HE21 GLN 2 HE21 GLN 2 5.618 2.130 -3.263 17 HE22 GLN 2 HE22 GLN 2 6.586 3.477 -3.745 18 H TYR 3 H TYR 3 5.958 -0.237 2.489 19 HA TYR 3 HA TYR 3 5.035 1.391 4.797 20 HB2 TYR 3 HB2 TYR 3 6.607 -1.202 4.797 21 HB3 TYR 3 HB3 TYR 3 5.829 -0.437 6.178 22 HD1 TYR 3 HD2 TYR 3 5.199 -2.183 2.980 23 HD2 TYR 3 HD1 TYR 3 3.524 -0.779 6.631 24 HE1 TYR 3 HE2 TYR 3 3.149 -3.464 2.526 25 HE2 TYR 3 HE1 TYR 3 1.470 -2.057 6.188 26 HH TYR 3 HH TYR 3 0.377 -2.975 3.694 27 H LYS 4 H LYS 4 6.506 2.151 6.399 28 HA LYS 4 HA LYS 4 9.210 2.707 5.247 29 HB2 LYS 4 HB2 LYS 4 7.863 4.722 5.515 30 HB3 LYS 4 HB3 LYS 4 7.543 4.323 7.198 31 HG2 LYS 4 HG2 LYS 4 9.245 6.067 6.956 32 HG3 LYS 4 HG3 LYS 4 9.877 4.623 7.751 33 HD2 LYS 4 HD2 LYS 4 11.332 4.200 6.090 34 HD3 LYS 4 HD3 LYS 4 10.168 4.626 4.833 35 HE2 LYS 4 HE2 LYS 4 10.599 7.062 5.756 36 HE3 LYS 4 HE3 LYS 4 12.117 6.341 6.289 37 HZ1 LYS 4 HZ1 LYS 4 11.200 6.955 3.608 38 HZ2 LYS 4 HZ2 LYS 4 11.997 5.472 3.774 39 HZ3 LYS 4 HZ3 LYS 4 12.772 6.904 4.231 40 H LEU 5 H LEU 5 11.006 2.209 6.372 41 HA LEU 5 HA LEU 5 10.621 1.252 9.175 42 HB2 LEU 5 HB2 LEU 5 10.796 -0.712 7.814 43 HB3 LEU 5 HB3 LEU 5 12.188 -0.060 6.951 44 HG LEU 5 HG LEU 5 13.567 -0.298 8.927 45 HD11 LEU 5 HD11 LEU 5 11.002 -0.526 10.239 46 HD12 LEU 5 HD12 LEU 5 12.591 -0.176 10.919 47 HD13 LEU 5 HD13 LEU 5 12.081 -1.848 10.684 48 HD21 LEU 5 HD21 LEU 5 12.082 -2.889 8.671 49 HD22 LEU 5 HD22 LEU 5 13.812 -2.613 8.879 50 HD23 LEU 5 HD23 LEU 5 13.039 -2.249 7.335 51 H VAL 6 H VAL 6 12.238 1.706 10.620 52 HA VAL 6 HA VAL 6 14.583 3.207 9.538 53 HB VAL 6 HB VAL 6 12.922 4.016 11.940 54 HG11 VAL 6 HG11 VAL 6 15.421 5.244 10.778 55 HG12 VAL 6 HG12 VAL 6 14.443 5.943 12.071 56 HG13 VAL 6 HG13 VAL 6 15.285 4.414 12.328 57 HG21 VAL 6 HG21 VAL 6 13.397 5.604 9.433 58 HG22 VAL 6 HG22 VAL 6 12.027 4.507 9.606 59 HG23 VAL 6 HG23 VAL 6 12.200 5.880 10.699 60 H ILE 7 H ILE 7 16.360 2.145 10.062 61 HA ILE 7 HA ILE 7 16.340 0.451 12.496 62 HB ILE 7 HB ILE 7 18.470 0.688 10.356 63 HG12 ILE 7 HG12 ILE 7 16.356 -1.450 10.677 64 HG13 ILE 7 HG13 ILE 7 16.250 -0.127 9.521 65 HG21 ILE 7 HG21 ILE 7 19.337 -0.159 12.448 66 HG22 ILE 7 HG22 ILE 7 18.031 -1.339 12.543 67 HG23 ILE 7 HG23 ILE 7 19.244 -1.467 11.270 68 HD11 ILE 7 HD11 ILE 7 17.470 -1.251 8.063 69 HD12 ILE 7 HD12 ILE 7 18.764 -1.468 9.242 70 HD13 ILE 7 HD13 ILE 7 17.439 -2.629 9.162 71 H ASN 8 H ASN 8 16.983 1.306 14.346 72 HA ASN 8 HA ASN 8 19.231 3.279 14.236 73 HB2 ASN 8 HB2 ASN 8 16.616 3.366 15.640 74 HB3 ASN 8 HB3 ASN 8 18.009 3.896 16.578 75 HD21 ASN 8 HD21 ASN 8 19.554 5.273 15.045 76 HD22 ASN 8 HD22 ASN 8 18.744 6.586 14.266 77 H GLY 9 H GLY 9 20.473 1.191 14.371 78 HA2 GLY 9 HA2 GLY 9 20.401 -0.058 17.047 79 HA3 GLY 9 HA3 GLY 9 21.362 -0.579 15.671 80 H LYS 10 H LYS 10 22.272 -0.327 18.371 81 HA LYS 10 HA LYS 10 23.690 2.133 18.752 82 HB2 LYS 10 HB2 LYS 10 23.185 0.437 20.525 83 HB3 LYS 10 HB3 LYS 10 24.405 -0.614 19.818 84 HG2 LYS 10 HG2 LYS 10 25.244 2.136 20.516 85 HG3 LYS 10 HG3 LYS 10 24.911 1.027 21.849 86 HD2 LYS 10 HD2 LYS 10 26.575 -0.005 19.626 87 HD3 LYS 10 HD3 LYS 10 27.307 1.210 20.677 88 HE2 LYS 10 HE2 LYS 10 25.940 -1.255 21.730 89 HE3 LYS 10 HE3 LYS 10 27.658 -1.210 21.337 90 HZ1 LYS 10 HZ1 LYS 10 27.920 -0.504 23.418 91 HZ2 LYS 10 HZ2 LYS 10 26.279 -0.145 23.616 92 HZ3 LYS 10 HZ3 LYS 10 27.310 0.984 22.893 93 H THR 11 H THR 11 24.285 -0.656 16.780 94 HA THR 11 HA THR 11 27.011 0.425 16.176 95 HB THR 11 HB THR 11 26.601 -2.348 15.364 96 HG1 THR 11 HG1 THR 11 26.660 -1.852 18.165 97 HG21 THR 11 HG21 THR 11 28.626 -0.769 16.914 98 HG22 THR 11 HG22 THR 11 28.799 -1.569 15.351 99 HG23 THR 11 HG23 THR 11 28.722 -2.527 16.830 100 H LEU 12 H LEU 12 23.894 0.047 15.056 101 HA LEU 12 HA LEU 12 24.861 0.270 12.241 102 HB2 LEU 12 HB2 LEU 12 23.492 -1.915 13.245 103 HB3 LEU 12 HB3 LEU 12 22.220 -0.945 12.506 104 HG LEU 12 HG LEU 12 23.366 -1.022 10.368 105 HD11 LEU 12 HD11 LEU 12 25.499 -2.392 11.962 106 HD12 LEU 12 HD12 LEU 12 25.641 -1.039 10.840 107 HD13 LEU 12 HD13 LEU 12 25.339 -2.664 10.226 108 HD21 LEU 12 HD21 LEU 12 22.839 -3.608 11.783 109 HD22 LEU 12 HD22 LEU 12 23.369 -3.589 10.101 110 HD23 LEU 12 HD23 LEU 12 21.867 -2.786 10.563 111 H LYS 13 H LYS 13 23.802 1.720 10.947 112 HA LYS 13 HA LYS 13 21.355 3.014 11.958 113 HB2 LYS 13 HB2 LYS 13 24.028 4.256 12.080 114 HB3 LYS 13 HB3 LYS 13 22.802 5.249 11.302 115 HG2 LYS 13 HG2 LYS 13 22.130 5.886 13.310 116 HG3 LYS 13 HG3 LYS 13 21.591 4.232 13.608 117 HD2 LYS 13 HD2 LYS 13 23.797 3.667 14.492 118 HD3 LYS 13 HD3 LYS 13 24.354 5.311 14.172 119 HE2 LYS 13 HE2 LYS 13 22.735 6.193 15.748 120 HE3 LYS 13 HE3 LYS 13 22.085 4.577 16.020 121 HZ1 LYS 13 HZ1 LYS 13 24.002 3.915 17.136 122 HZ2 LYS 13 HZ2 LYS 13 23.735 5.484 17.709 123 HZ3 LYS 13 HZ3 LYS 13 24.926 5.201 16.541 124 H GLY 14 H GLY 14 20.304 2.266 10.134 125 HA2 GLY 14 HA2 GLY 14 20.980 3.787 7.682 126 HA3 GLY 14 HA3 GLY 14 20.929 2.034 7.561 127 H GLU 15 H GLU 15 19.269 2.433 5.933 128 HA GLU 15 HA GLU 15 16.625 2.375 7.226 129 HB2 GLU 15 HB2 GLU 15 17.542 4.793 6.192 130 HB3 GLU 15 HB3 GLU 15 16.539 4.141 4.903 131 HG2 GLU 15 HG2 GLU 15 14.670 4.611 5.998 132 HG3 GLU 15 HG3 GLU 15 15.264 3.869 7.482 133 H THR 16 H THR 16 14.891 1.777 5.692 134 HA THR 16 HA THR 16 15.525 0.861 3.048 135 HB THR 16 HB THR 16 16.800 -0.875 4.219 136 HG1 THR 16 HG1 THR 16 15.541 -1.395 2.302 137 HG21 THR 16 HG21 THR 16 15.090 -0.708 6.243 138 HG22 THR 16 HG22 THR 16 16.015 -2.176 5.929 139 HG23 THR 16 HG23 THR 16 14.339 -2.059 5.395 140 H THR 17 H THR 17 13.750 -0.534 2.133 141 HA THR 17 HA THR 17 11.218 -0.373 3.654 142 HB THR 17 HB THR 17 10.010 0.820 1.953 143 HG1 THR 17 HG1 THR 17 12.447 1.103 0.507 144 HG21 THR 17 HG21 THR 17 12.587 2.297 2.508 145 HG22 THR 17 HG22 THR 17 11.219 2.185 3.616 146 HG23 THR 17 HG23 THR 17 11.039 3.020 2.074 147 H THR 18 H THR 18 9.365 -1.276 2.218 148 HA THR 18 HA THR 18 10.276 -3.250 0.239 149 HB THR 18 HB THR 18 10.589 -4.343 2.510 150 HG1 THR 18 HG1 THR 18 9.413 -6.275 1.769 151 HG21 THR 18 HG21 THR 18 7.705 -4.911 2.677 152 HG22 THR 18 HG22 THR 18 8.176 -3.272 3.128 153 HG23 THR 18 HG23 THR 18 8.887 -4.655 3.959 154 H LYS 19 H LYS 19 8.193 -4.811 -0.145 155 HA LYS 19 HA LYS 19 5.757 -3.108 -0.110 156 HB2 LYS 19 HB2 LYS 19 7.201 -4.123 -2.538 157 HB3 LYS 19 HB3 LYS 19 5.447 -4.001 -2.571 158 HG2 LYS 19 HG2 LYS 19 5.547 -1.643 -2.135 159 HG3 LYS 19 HG3 LYS 19 7.295 -1.721 -1.903 160 HD2 LYS 19 HD2 LYS 19 6.750 -0.851 -4.114 161 HD3 LYS 19 HD3 LYS 19 7.569 -2.410 -4.239 162 HE2 LYS 19 HE2 LYS 19 5.857 -3.255 -5.372 163 HE3 LYS 19 HE3 LYS 19 4.750 -2.841 -4.063 164 HZ1 LYS 19 HZ1 LYS 19 4.585 -1.814 -6.508 165 HZ2 LYS 19 HZ2 LYS 19 5.562 -0.643 -5.778 166 HZ3 LYS 19 HZ3 LYS 19 4.044 -1.005 -5.125 167 H ALA 20 H ALA 20 4.497 -4.358 1.131 168 HA ALA 20 HA ALA 20 4.153 -7.192 0.230 169 HB1 ALA 20 HB1 ALA 20 4.620 -7.916 2.277 170 HB2 ALA 20 HB2 ALA 20 5.026 -6.266 2.751 171 HB3 ALA 20 HB3 ALA 20 3.383 -6.867 2.971 172 H VAL 21 H VAL 21 2.088 -8.024 0.154 173 HA VAL 21 HA VAL 21 -0.007 -6.312 -0.537 174 HB VAL 21 HB VAL 21 -1.520 -8.284 0.104 175 HG11 VAL 21 HG11 VAL 21 0.653 -9.257 -1.674 176 HG12 VAL 21 HG12 VAL 21 -1.095 -9.257 -1.917 177 HG13 VAL 21 HG13 VAL 21 -0.177 -7.765 -2.115 178 HG21 VAL 21 HG21 VAL 21 1.137 -9.640 0.547 179 HG22 VAL 21 HG22 VAL 21 0.023 -9.181 1.836 180 HG23 VAL 21 HG23 VAL 21 -0.463 -10.378 0.635 181 H ASP 22 H ASP 22 0.890 -7.563 2.658 182 HA ASP 22 HA ASP 22 -0.871 -5.502 3.856 183 HB2 ASP 22 HB2 ASP 22 -1.761 -7.152 5.498 184 HB3 ASP 22 HB3 ASP 22 -2.290 -7.470 3.849 185 H ALA 23 H ALA 23 -0.598 -5.877 6.456 186 HA ALA 23 HA ALA 23 2.159 -5.180 6.922 187 HB1 ALA 23 HB1 ALA 23 0.612 -4.144 8.334 188 HB2 ALA 23 HB2 ALA 23 -0.211 -5.658 8.709 189 HB3 ALA 23 HB3 ALA 23 1.392 -5.339 9.370 190 H GLU 24 H GLU 24 0.166 -8.003 7.890 191 HA GLU 24 HA GLU 24 2.138 -9.421 9.281 192 HB2 GLU 24 HB2 GLU 24 -0.089 -10.238 9.320 193 HB3 GLU 24 HB3 GLU 24 -0.168 -10.354 7.568 194 HG2 GLU 24 HG2 GLU 24 1.384 -12.202 7.580 195 HG3 GLU 24 HG3 GLU 24 1.591 -12.050 9.324 196 H THR 25 H THR 25 1.739 -8.948 5.831 197 HA THR 25 HA THR 25 3.551 -11.089 5.070 198 HB THR 25 HB THR 25 2.712 -8.667 3.450 199 HG1 THR 25 HG1 THR 25 1.545 -11.263 3.435 200 HG21 THR 25 HG21 THR 25 3.658 -11.387 2.545 201 HG22 THR 25 HG22 THR 25 4.671 -9.945 2.602 202 HG23 THR 25 HG23 THR 25 3.278 -10.001 1.523 203 H ALA 26 H ALA 26 3.804 -7.511 5.188 204 HA ALA 26 HA ALA 26 6.541 -7.402 4.407 205 HB1 ALA 26 HB1 ALA 26 6.385 -5.162 4.789 206 HB2 ALA 26 HB2 ALA 26 4.664 -5.548 4.754 207 HB3 ALA 26 HB3 ALA 26 5.494 -5.360 6.298 208 H GLU 27 H GLU 27 4.993 -8.123 7.461 209 HA GLU 27 HA GLU 27 7.153 -7.539 9.211 210 HB2 GLU 27 HB2 GLU 27 4.746 -8.188 9.785 211 HB3 GLU 27 HB3 GLU 27 5.244 -9.857 9.551 212 HG2 GLU 27 HG2 GLU 27 6.062 -9.941 11.600 213 HG3 GLU 27 HG3 GLU 27 7.112 -8.563 11.274 214 H LYS 28 H LYS 28 6.655 -10.117 6.925 215 HA LYS 28 HA LYS 28 8.664 -11.870 8.133 216 HB2 LYS 28 HB2 LYS 28 6.879 -11.926 5.752 217 HB3 LYS 28 HB3 LYS 28 8.362 -12.866 5.647 218 HG2 LYS 28 HG2 LYS 28 6.815 -14.385 6.460 219 HG3 LYS 28 HG3 LYS 28 7.655 -13.846 7.916 220 HD2 LYS 28 HD2 LYS 28 5.672 -12.032 7.831 221 HD3 LYS 28 HD3 LYS 28 4.866 -13.395 7.050 222 HE2 LYS 28 HE2 LYS 28 6.384 -13.888 9.563 223 HE3 LYS 28 HE3 LYS 28 4.822 -13.077 9.672 224 HZ1 LYS 28 HZ1 LYS 28 3.725 -14.946 9.157 225 HZ2 LYS 28 HZ2 LYS 28 5.140 -15.732 9.647 226 HZ3 LYS 28 HZ3 LYS 28 4.859 -15.441 8.004 227 H ALA 29 H ALA 29 8.445 -9.736 5.271 228 HA ALA 29 HA ALA 29 11.153 -10.264 4.422 229 HB1 ALA 29 HB1 ALA 29 9.200 -8.056 3.766 230 HB2 ALA 29 HB2 ALA 29 10.790 -8.208 3.016 231 HB3 ALA 29 HB3 ALA 29 9.590 -9.483 2.805 232 H PHE 30 H PHE 30 9.617 -7.475 6.082 233 HA PHE 30 HA PHE 30 11.907 -5.900 6.403 234 HB2 PHE 30 HB2 PHE 30 9.358 -6.230 7.930 235 HB3 PHE 30 HB3 PHE 30 10.649 -5.296 8.679 236 HD1 PHE 30 HD2 PHE 30 11.844 -3.782 6.606 237 HD2 PHE 30 HD1 PHE 30 7.749 -4.839 7.085 238 HE1 PHE 30 HE2 PHE 30 11.185 -1.814 5.285 239 HE2 PHE 30 HE1 PHE 30 7.083 -2.872 5.765 240 HZ PHE 30 HZ PHE 30 8.802 -1.356 4.864 241 H LYS 31 H LYS 31 10.669 -8.478 8.553 242 HA LYS 31 HA LYS 31 12.714 -8.216 10.524 243 HB2 LYS 31 HB2 LYS 31 10.872 -10.455 9.704 244 HB3 LYS 31 HB3 LYS 31 12.089 -10.703 10.948 245 HG2 LYS 31 HG2 LYS 31 10.093 -8.467 11.089 246 HG3 LYS 31 HG3 LYS 31 9.755 -10.081 11.719 247 HD2 LYS 31 HD2 LYS 31 12.315 -9.265 12.659 248 HD3 LYS 31 HD3 LYS 31 11.169 -7.957 12.962 249 HE2 LYS 31 HE2 LYS 31 9.796 -9.314 14.282 250 HE3 LYS 31 HE3 LYS 31 10.511 -10.800 13.658 251 HZ1 LYS 31 HZ1 LYS 31 12.116 -8.872 15.215 252 HZ2 LYS 31 HZ2 LYS 31 12.409 -10.515 14.943 253 HZ3 LYS 31 HZ3 LYS 31 11.167 -10.040 15.988 254 H GLN 32 H GLN 32 12.527 -10.056 7.498 255 HA GLN 32 HA GLN 32 14.712 -11.764 7.806 256 HB2 GLN 32 HB2 GLN 32 13.112 -11.563 5.837 257 HB3 GLN 32 HB3 GLN 32 14.123 -10.248 5.255 258 HG2 GLN 32 HG2 GLN 32 15.417 -11.725 4.250 259 HG3 GLN 32 HG3 GLN 32 15.851 -12.388 5.824 260 HE21 GLN 32 HE21 GLN 32 15.677 -14.502 5.821 261 HE22 GLN 32 HE22 GLN 32 14.426 -15.426 5.068 262 H TYR 33 H TYR 33 14.738 -8.394 6.583 263 HA TYR 33 HA TYR 33 17.542 -8.251 6.162 264 HB2 TYR 33 HB2 TYR 33 15.648 -6.611 5.482 265 HB3 TYR 33 HB3 TYR 33 15.901 -5.888 7.066 266 HD1 TYR 33 HD2 TYR 33 17.396 -6.496 3.766 267 HD2 TYR 33 HD1 TYR 33 17.881 -4.601 7.544 268 HE1 TYR 33 HE2 TYR 33 19.257 -5.171 2.855 269 HE2 TYR 33 HE1 TYR 33 19.743 -3.269 6.644 270 HH TYR 33 HH TYR 33 21.169 -3.937 3.586 271 H ALA 34 H ALA 34 15.643 -8.182 9.068 272 HA ALA 34 HA ALA 34 17.569 -6.806 10.722 273 HB1 ALA 34 HB1 ALA 34 15.862 -8.750 12.088 274 HB2 ALA 34 HB2 ALA 34 15.999 -7.005 12.305 275 HB3 ALA 34 HB3 ALA 34 14.974 -7.656 11.026 276 H ASN 35 H ASN 35 16.685 -10.282 10.459 277 HA ASN 35 HA ASN 35 18.719 -11.245 12.163 278 HB2 ASN 35 HB2 ASN 35 16.987 -12.380 10.040 279 HB3 ASN 35 HB3 ASN 35 18.449 -13.295 10.398 280 HD21 ASN 35 HD21 ASN 35 16.922 -14.930 11.102 281 HD22 ASN 35 HD22 ASN 35 16.290 -14.855 12.708 282 H ASP 36 H ASP 36 18.735 -10.793 8.612 283 HA ASP 36 HA ASP 36 21.302 -11.827 8.105 284 HB2 ASP 36 HB2 ASP 36 19.966 -9.466 6.744 285 HB3 ASP 36 HB3 ASP 36 21.275 -10.441 6.081 286 H ASN 37 H ASN 37 20.314 -8.721 9.440 287 HA ASN 37 HA ASN 37 23.160 -7.837 9.430 288 HB2 ASN 37 HB2 ASN 37 20.529 -6.397 9.748 289 HB3 ASN 37 HB3 ASN 37 22.034 -5.651 10.276 290 HD21 ASN 37 HD21 ASN 37 20.270 -6.907 7.532 291 HD22 ASN 37 HD22 ASN 37 21.173 -6.066 6.322 292 H GLY 38 H GLY 38 21.421 -9.755 11.287 293 HA2 GLY 38 HA2 GLY 38 21.425 -10.268 13.543 294 HA3 GLY 38 HA3 GLY 38 22.996 -9.484 13.589 295 H VAL 39 H VAL 39 19.851 -8.006 12.858 296 HA VAL 39 HA VAL 39 20.256 -6.299 15.283 297 HB VAL 39 HB VAL 39 18.668 -5.626 12.792 298 HG11 VAL 39 HG11 VAL 39 17.760 -4.123 14.181 299 HG12 VAL 39 HG12 VAL 39 18.999 -4.375 15.412 300 HG13 VAL 39 HG13 VAL 39 19.307 -3.286 14.059 301 HG21 VAL 39 HG21 VAL 39 20.951 -5.717 12.141 302 HG22 VAL 39 HG22 VAL 39 20.556 -4.014 12.376 303 HG23 VAL 39 HG23 VAL 39 21.471 -4.885 13.607 304 H ASP 40 H ASP 40 19.061 -7.109 16.887 305 HA ASP 40 HA ASP 40 16.180 -7.613 16.274 306 HB2 ASP 40 HB2 ASP 40 17.564 -9.722 16.663 307 HB3 ASP 40 HB3 ASP 40 17.762 -9.176 18.326 308 H GLY 41 H GLY 41 14.710 -7.300 18.062 309 HA2 GLY 41 HA2 GLY 41 15.338 -6.375 20.602 310 HA3 GLY 41 HA3 GLY 41 15.441 -4.944 19.587 311 H VAL 42 H VAL 42 13.707 -3.783 20.194 312 HA VAL 42 HA VAL 42 11.085 -5.198 20.276 313 HB VAL 42 HB VAL 42 11.872 -2.445 21.267 314 HG11 VAL 42 HG11 VAL 42 9.480 -2.996 22.423 315 HG12 VAL 42 HG12 VAL 42 9.685 -2.013 20.972 316 HG13 VAL 42 HG13 VAL 42 9.263 -3.720 20.830 317 HG21 VAL 42 HG21 VAL 42 12.679 -4.529 22.506 318 HG22 VAL 42 HG22 VAL 42 11.803 -3.318 23.443 319 HG23 VAL 42 HG23 VAL 42 10.984 -4.789 22.920 320 H TRP 43 H TRP 43 10.097 -5.260 18.369 321 HA TRP 43 HA TRP 43 10.431 -2.989 16.501 322 HB2 TRP 43 HB2 TRP 43 9.297 -5.771 16.278 323 HB3 TRP 43 HB3 TRP 43 8.940 -4.559 15.051 324 HD1 TRP 43 HD1 TRP 43 12.099 -6.097 16.715 325 HE1 TRP 43 HE1 TRP 43 13.932 -6.266 14.916 326 HE3 TRP 43 HE3 TRP 43 9.605 -3.935 12.811 327 HZ2 TRP 43 HZ2 TRP 43 14.276 -5.573 12.202 328 HZ3 TRP 43 HZ3 TRP 43 10.758 -3.725 10.647 329 HH2 TRP 43 HH2 TRP 43 13.044 -4.527 10.351 330 H THR 44 H THR 44 8.524 -2.121 15.359 331 HA THR 44 HA THR 44 6.029 -2.233 16.970 332 HB THR 44 HB THR 44 5.843 0.283 16.779 333 HG1 THR 44 HG1 THR 44 7.567 1.435 16.153 334 HG21 THR 44 HG21 THR 44 6.511 -0.979 18.860 335 HG22 THR 44 HG22 THR 44 7.054 0.698 18.787 336 HG23 THR 44 HG23 THR 44 8.186 -0.611 18.450 337 H TYR 45 H TYR 45 4.142 -1.686 15.852 338 HA TYR 45 HA TYR 45 4.499 -1.185 12.932 339 HB2 TYR 45 HB2 TYR 45 4.089 -3.503 12.947 340 HB3 TYR 45 HB3 TYR 45 2.923 -3.387 14.261 341 HD1 TYR 45 HD1 TYR 45 3.118 -1.440 11.089 342 HD2 TYR 45 HD2 TYR 45 0.952 -4.281 13.402 343 HE1 TYR 45 HE1 TYR 45 1.286 -1.369 9.450 344 HE2 TYR 45 HE2 TYR 45 -0.885 -4.218 11.768 345 HH TYR 45 HH TYR 45 -1.289 -3.637 9.473 346 H ASP 46 H ASP 46 3.327 0.455 12.221 347 HA ASP 46 HA ASP 46 0.836 1.134 13.730 348 HB2 ASP 46 HB2 ASP 46 2.892 2.652 14.156 349 HB3 ASP 46 HB3 ASP 46 2.621 3.245 12.520 350 H ASP 47 H ASP 47 -0.445 0.109 12.186 351 HA ASP 47 HA ASP 47 -0.253 0.330 9.408 352 HB2 ASP 47 HB2 ASP 47 -2.447 -0.465 9.318 353 HB3 ASP 47 HB3 ASP 47 -1.912 -1.005 10.907 354 H ALA 48 H ALA 48 -1.401 2.682 11.750 355 HA ALA 48 HA ALA 48 -2.912 4.393 10.143 356 HB1 ALA 48 HB1 ALA 48 -2.565 4.681 12.560 357 HB2 ALA 48 HB2 ALA 48 -0.910 5.213 12.257 358 HB3 ALA 48 HB3 ALA 48 -2.267 6.174 11.670 359 H THR 49 H THR 49 0.627 4.127 10.397 360 HA THR 49 HA THR 49 0.798 5.800 7.928 361 HB THR 49 HB THR 49 3.149 6.431 9.020 362 HG1 THR 49 HG1 THR 49 3.193 6.275 11.146 363 HG21 THR 49 HG21 THR 49 2.243 8.461 8.856 364 HG22 THR 49 HG22 THR 49 1.239 8.163 10.276 365 HG23 THR 49 HG23 THR 49 0.660 7.706 8.674 366 H LYS 50 H LYS 50 0.812 2.853 8.511 367 HA LYS 50 HA LYS 50 2.229 1.003 8.212 368 HB2 LYS 50 HB2 LYS 50 3.175 1.234 5.747 369 HB3 LYS 50 HB3 LYS 50 1.451 1.057 6.051 370 HG2 LYS 50 HG2 LYS 50 1.217 3.516 5.910 371 HG3 LYS 50 HG3 LYS 50 2.927 3.620 5.484 372 HD2 LYS 50 HD2 LYS 50 2.263 3.420 3.360 373 HD3 LYS 50 HD3 LYS 50 1.943 1.725 3.734 374 HE2 LYS 50 HE2 LYS 50 -0.173 3.658 4.452 375 HE3 LYS 50 HE3 LYS 50 0.096 3.395 2.730 376 HZ1 LYS 50 HZ1 LYS 50 -0.548 1.328 4.760 377 HZ2 LYS 50 HZ2 LYS 50 -0.147 0.990 3.152 378 HZ3 LYS 50 HZ3 LYS 50 -1.550 1.866 3.508 379 H THR 51 H THR 51 3.637 2.585 9.877 380 HA THR 51 HA THR 51 6.390 2.438 8.710 381 HB THR 51 HB THR 51 5.251 4.532 10.577 382 HG1 THR 51 HG1 THR 51 5.942 5.917 8.905 383 HG21 THR 51 HG21 THR 51 8.114 3.856 9.937 384 HG22 THR 51 HG22 THR 51 7.360 4.034 11.521 385 HG23 THR 51 HG23 THR 51 7.622 5.451 10.505 386 H PHE 52 H PHE 52 7.839 1.273 9.805 387 HA PHE 52 HA PHE 52 7.002 0.307 12.508 388 HB2 PHE 52 HB2 PHE 52 8.886 -1.009 10.527 389 HB3 PHE 52 HB3 PHE 52 8.362 -1.677 12.069 390 HD1 PHE 52 HD1 PHE 52 7.097 -0.552 8.766 391 HD2 PHE 52 HD2 PHE 52 6.447 -2.988 12.196 392 HE1 PHE 52 HE1 PHE 52 5.175 -1.607 7.649 393 HE2 PHE 52 HE2 PHE 52 4.526 -4.048 11.083 394 HZ PHE 52 HZ PHE 52 3.888 -3.359 8.806 395 H THR 53 H THR 53 8.781 -0.215 14.017 396 HA THR 53 HA THR 53 11.179 1.503 13.569 397 HB THR 53 HB THR 53 9.916 1.423 16.293 398 HG1 THR 53 HG1 THR 53 9.264 3.365 14.315 399 HG21 THR 53 HG21 THR 53 12.055 2.398 16.293 400 HG22 THR 53 HG22 THR 53 10.946 3.769 16.267 401 HG23 THR 53 HG23 THR 53 11.756 3.261 14.785 402 H VAL 54 H VAL 54 12.890 0.225 13.663 403 HA VAL 54 HA VAL 54 12.800 -2.083 15.561 404 HB VAL 54 HB VAL 54 13.140 -2.842 13.315 405 HG11 VAL 54 HG11 VAL 54 14.615 -0.402 13.043 406 HG12 VAL 54 HG12 VAL 54 15.610 -1.762 12.518 407 HG13 VAL 54 HG13 VAL 54 14.025 -1.493 11.790 408 HG21 VAL 54 HG21 VAL 54 15.832 -2.807 14.672 409 HG22 VAL 54 HG22 VAL 54 14.505 -3.885 15.104 410 HG23 VAL 54 HG23 VAL 54 15.247 -3.995 13.507 411 H THR 55 H THR 55 14.020 -2.022 17.315 412 HA THR 55 HA THR 55 16.297 -0.079 17.333 413 HB THR 55 HB THR 55 15.402 -1.018 19.957 414 HG1 THR 55 HG1 THR 55 13.599 0.605 18.463 415 HG21 THR 55 HG21 THR 55 15.871 1.141 20.584 416 HG22 THR 55 HG22 THR 55 15.310 1.821 19.057 417 HG23 THR 55 HG23 THR 55 16.875 1.015 19.141 418 H GLU 56 H GLU 56 17.663 -0.829 19.535 419 HA GLU 56 HA GLU 56 18.583 -3.570 18.776 420 HB2 GLU 56 HB2 GLU 56 19.965 -1.074 19.314 421 HB3 GLU 56 HB3 GLU 56 20.547 -2.356 20.367 422 HG2 GLU 56 HG2 GLU 56 20.508 -3.648 18.001 423 HG3 GLU 56 HG3 GLU 56 20.849 -2.003 17.467 Start of MODEL 37 1 H1 MET 1 H MET 1 -0.911 0.964 0.105 2 HA MET 1 HA MET 1 1.053 -0.598 0.228 3 HB2 MET 1 HB2 MET 1 1.190 1.253 -2.152 4 HB3 MET 1 HB3 MET 1 1.667 -0.439 -2.084 5 HG2 MET 1 HG2 MET 1 -0.343 -0.971 -2.827 6 HG3 MET 1 HG3 MET 1 -1.009 -0.394 -1.301 7 HE1 MET 1 HE1 MET 1 -0.891 0.051 -5.091 8 HE2 MET 1 HE2 MET 1 -2.355 -0.524 -4.294 9 HE3 MET 1 HE3 MET 1 -2.368 1.013 -5.160 10 H GLN 2 H GLN 2 3.398 -0.684 -0.441 11 HA GLN 2 HA GLN 2 5.573 -0.022 -0.116 12 HB2 GLN 2 HB2 GLN 2 4.267 2.312 -1.061 13 HB3 GLN 2 HB3 GLN 2 5.315 2.818 0.258 14 HG2 GLN 2 HG2 GLN 2 7.126 1.436 -0.935 15 HG3 GLN 2 HG3 GLN 2 6.045 1.504 -2.326 16 HE21 GLN 2 HE21 GLN 2 6.775 2.958 -3.695 17 HE22 GLN 2 HE22 GLN 2 7.355 4.535 -3.295 18 H TYR 3 H TYR 3 6.757 -0.212 1.667 19 HA TYR 3 HA TYR 3 5.695 1.081 4.148 20 HB2 TYR 3 HB2 TYR 3 7.064 -1.619 3.947 21 HB3 TYR 3 HB3 TYR 3 6.460 -0.865 5.418 22 HD1 TYR 3 HD1 TYR 3 3.883 -0.206 5.310 23 HD2 TYR 3 HD2 TYR 3 5.735 -3.199 2.919 24 HE1 TYR 3 HE1 TYR 3 1.695 -1.274 4.963 25 HE2 TYR 3 HE2 TYR 3 3.551 -4.275 2.565 26 HH TYR 3 HH TYR 3 0.717 -3.302 4.321 27 H LYS 4 H LYS 4 7.155 1.969 5.569 28 HA LYS 4 HA LYS 4 9.960 2.113 4.532 29 HB2 LYS 4 HB2 LYS 4 9.171 4.294 4.360 30 HB3 LYS 4 HB3 LYS 4 8.158 4.157 5.791 31 HG2 LYS 4 HG2 LYS 4 9.827 4.730 7.198 32 HG3 LYS 4 HG3 LYS 4 11.069 3.940 6.224 33 HD2 LYS 4 HD2 LYS 4 10.290 5.959 4.573 34 HD3 LYS 4 HD3 LYS 4 10.090 6.708 6.159 35 HE2 LYS 4 HE2 LYS 4 12.541 5.323 6.222 36 HE3 LYS 4 HE3 LYS 4 12.493 6.187 4.686 37 HZ1 LYS 4 HZ1 LYS 4 11.590 8.030 6.442 38 HZ2 LYS 4 HZ2 LYS 4 13.183 7.920 5.884 39 HZ3 LYS 4 HZ3 LYS 4 12.754 7.214 7.360 40 H LEU 5 H LEU 5 11.562 1.434 5.797 41 HA LEU 5 HA LEU 5 10.919 1.005 8.688 42 HB2 LEU 5 HB2 LEU 5 11.049 -1.158 7.910 43 HB3 LEU 5 HB3 LEU 5 12.246 -0.762 6.678 44 HG LEU 5 HG LEU 5 13.958 -0.577 8.454 45 HD11 LEU 5 HD11 LEU 5 12.785 -2.002 10.549 46 HD12 LEU 5 HD12 LEU 5 11.632 -0.731 10.140 47 HD13 LEU 5 HD13 LEU 5 13.295 -0.313 10.554 48 HD21 LEU 5 HD21 LEU 5 12.595 -3.245 8.649 49 HD22 LEU 5 HD22 LEU 5 14.322 -2.882 8.654 50 HD23 LEU 5 HD23 LEU 5 13.387 -2.708 7.168 51 H VAL 6 H VAL 6 12.399 1.626 10.185 52 HA VAL 6 HA VAL 6 14.931 2.804 9.108 53 HB VAL 6 HB VAL 6 13.218 3.895 11.357 54 HG11 VAL 6 HG11 VAL 6 15.825 4.904 10.224 55 HG12 VAL 6 HG12 VAL 6 14.842 5.727 11.437 56 HG13 VAL 6 HG13 VAL 6 15.595 4.177 11.813 57 HG21 VAL 6 HG21 VAL 6 12.114 4.851 9.658 58 HG22 VAL 6 HG22 VAL 6 13.534 5.887 9.507 59 HG23 VAL 6 HG23 VAL 6 13.376 4.453 8.492 60 H ILE 7 H ILE 7 16.771 2.197 10.062 61 HA ILE 7 HA ILE 7 16.499 0.497 12.506 62 HB ILE 7 HB ILE 7 18.682 0.546 10.407 63 HG12 ILE 7 HG12 ILE 7 17.157 -1.916 10.992 64 HG13 ILE 7 HG13 ILE 7 16.239 -0.627 10.220 65 HG21 ILE 7 HG21 ILE 7 19.658 0.083 12.555 66 HG22 ILE 7 HG22 ILE 7 18.406 -1.105 12.912 67 HG23 ILE 7 HG23 ILE 7 19.576 -1.417 11.631 68 HD11 ILE 7 HD11 ILE 7 18.132 -2.454 9.083 69 HD12 ILE 7 HD12 ILE 7 17.042 -1.322 8.282 70 HD13 ILE 7 HD13 ILE 7 18.639 -0.788 8.804 71 H ASN 8 H ASN 8 17.125 1.362 14.352 72 HA ASN 8 HA ASN 8 19.290 3.427 14.240 73 HB2 ASN 8 HB2 ASN 8 16.695 3.350 15.718 74 HB3 ASN 8 HB3 ASN 8 18.077 4.071 16.537 75 HD21 ASN 8 HD21 ASN 8 19.393 5.489 14.841 76 HD22 ASN 8 HD22 ASN 8 18.417 6.662 14.031 77 H GLY 9 H GLY 9 20.488 1.224 14.365 78 HA2 GLY 9 HA2 GLY 9 20.555 0.164 17.122 79 HA3 GLY 9 HA3 GLY 9 21.405 -0.485 15.728 80 H LYS 10 H LYS 10 22.061 0.550 18.615 81 HA LYS 10 HA LYS 10 23.747 2.768 18.488 82 HB2 LYS 10 HB2 LYS 10 23.137 1.465 20.539 83 HB3 LYS 10 HB3 LYS 10 24.296 0.232 20.058 84 HG2 LYS 10 HG2 LYS 10 26.125 1.658 20.403 85 HG3 LYS 10 HG3 LYS 10 25.100 3.095 20.454 86 HD2 LYS 10 HD2 LYS 10 24.032 1.721 22.492 87 HD3 LYS 10 HD3 LYS 10 25.680 1.091 22.555 88 HE2 LYS 10 HE2 LYS 10 26.159 3.740 22.271 89 HE3 LYS 10 HE3 LYS 10 24.647 3.778 23.176 90 HZ1 LYS 10 HZ1 LYS 10 26.902 3.669 24.421 91 HZ2 LYS 10 HZ2 LYS 10 26.820 2.015 24.075 92 HZ3 LYS 10 HZ3 LYS 10 25.594 2.752 24.978 93 H THR 11 H THR 11 24.267 -0.468 17.251 94 HA THR 11 HA THR 11 27.060 0.306 16.520 95 HB THR 11 HB THR 11 27.465 -2.100 16.164 96 HG1 THR 11 HG1 THR 11 25.881 -3.538 16.290 97 HG21 THR 11 HG21 THR 11 27.317 -2.814 18.531 98 HG22 THR 11 HG22 THR 11 26.292 -1.417 18.862 99 HG23 THR 11 HG23 THR 11 27.963 -1.184 18.350 100 H LEU 12 H LEU 12 24.054 -1.174 15.285 101 HA LEU 12 HA LEU 12 25.061 -0.610 12.524 102 HB2 LEU 12 HB2 LEU 12 24.713 -2.907 12.621 103 HB3 LEU 12 HB3 LEU 12 23.290 -2.753 13.651 104 HG LEU 12 HG LEU 12 21.935 -2.083 11.803 105 HD11 LEU 12 HD11 LEU 12 23.322 -2.269 9.488 106 HD12 LEU 12 HD12 LEU 12 24.537 -1.552 10.546 107 HD13 LEU 12 HD13 LEU 12 22.979 -0.754 10.324 108 HD21 LEU 12 HD21 LEU 12 22.891 -4.562 12.095 109 HD22 LEU 12 HD22 LEU 12 23.469 -4.229 10.463 110 HD23 LEU 12 HD23 LEU 12 21.747 -4.119 10.829 111 H LYS 13 H LYS 13 24.171 1.071 11.564 112 HA LYS 13 HA LYS 13 21.302 1.654 12.170 113 HB2 LYS 13 HB2 LYS 13 23.614 3.319 12.653 114 HB3 LYS 13 HB3 LYS 13 22.555 4.088 11.479 115 HG2 LYS 13 HG2 LYS 13 20.715 4.038 12.993 116 HG3 LYS 13 HG3 LYS 13 21.612 3.032 14.133 117 HD2 LYS 13 HD2 LYS 13 23.219 5.280 13.694 118 HD3 LYS 13 HD3 LYS 13 21.574 5.901 13.854 119 HE2 LYS 13 HE2 LYS 13 21.899 5.772 16.058 120 HE3 LYS 13 HE3 LYS 13 21.738 4.027 15.865 121 HZ1 LYS 13 HZ1 LYS 13 24.184 5.642 16.141 122 HZ2 LYS 13 HZ2 LYS 13 24.250 4.145 15.357 123 HZ3 LYS 13 HZ3 LYS 13 23.734 4.235 16.966 124 H GLY 14 H GLY 14 20.052 2.484 10.485 125 HA2 GLY 14 HA2 GLY 14 20.957 3.364 7.993 126 HA3 GLY 14 HA3 GLY 14 20.889 1.613 7.864 127 H GLU 15 H GLU 15 19.314 2.143 6.146 128 HA GLU 15 HA GLU 15 16.612 2.085 7.333 129 HB2 GLU 15 HB2 GLU 15 17.459 4.511 6.592 130 HB3 GLU 15 HB3 GLU 15 16.944 3.933 5.014 131 HG2 GLU 15 HG2 GLU 15 14.717 3.653 5.732 132 HG3 GLU 15 HG3 GLU 15 15.163 3.836 7.428 133 H THR 16 H THR 16 14.925 1.703 5.577 134 HA THR 16 HA THR 16 15.701 0.692 3.027 135 HB THR 16 HB THR 16 16.790 -1.113 4.246 136 HG1 THR 16 HG1 THR 16 15.232 -2.865 3.448 137 HG21 THR 16 HG21 THR 16 15.462 -0.964 6.322 138 HG22 THR 16 HG22 THR 16 15.565 -2.615 5.711 139 HG23 THR 16 HG23 THR 16 14.090 -1.678 5.475 140 H THR 17 H THR 17 13.927 -0.537 1.949 141 HA THR 17 HA THR 17 11.297 -0.184 3.289 142 HB THR 17 HB THR 17 10.425 0.736 1.049 143 HG1 THR 17 HG1 THR 17 12.319 2.093 0.150 144 HG21 THR 17 HG21 THR 17 10.260 2.590 2.272 145 HG22 THR 17 HG22 THR 17 11.943 2.980 1.916 146 HG23 THR 17 HG23 THR 17 11.543 2.007 3.332 147 H THR 18 H THR 18 9.507 -1.202 2.026 148 HA THR 18 HA THR 18 10.337 -3.241 0.077 149 HB THR 18 HB THR 18 10.751 -4.268 2.354 150 HG1 THR 18 HG1 THR 18 9.657 -6.222 1.737 151 HG21 THR 18 HG21 THR 18 7.801 -4.625 2.616 152 HG22 THR 18 HG22 THR 18 8.533 -3.134 3.211 153 HG23 THR 18 HG23 THR 18 9.058 -4.691 3.851 154 H LYS 19 H LYS 19 8.249 -4.806 -0.189 155 HA LYS 19 HA LYS 19 5.800 -3.132 -0.074 156 HB2 LYS 19 HB2 LYS 19 7.187 -4.075 -2.555 157 HB3 LYS 19 HB3 LYS 19 5.428 -4.056 -2.533 158 HG2 LYS 19 HG2 LYS 19 5.429 -1.687 -2.037 159 HG3 LYS 19 HG3 LYS 19 7.192 -1.684 -1.954 160 HD2 LYS 19 HD2 LYS 19 6.419 -0.830 -4.104 161 HD3 LYS 19 HD3 LYS 19 7.300 -2.345 -4.310 162 HE2 LYS 19 HE2 LYS 19 5.499 -3.415 -5.109 163 HE3 LYS 19 HE3 LYS 19 4.425 -2.693 -3.912 164 HZ1 LYS 19 HZ1 LYS 19 4.748 -0.584 -5.362 165 HZ2 LYS 19 HZ2 LYS 19 3.653 -1.777 -5.850 166 HZ3 LYS 19 HZ3 LYS 19 5.183 -1.689 -6.567 167 H ALA 20 H ALA 20 4.138 -4.274 0.641 168 HA ALA 20 HA ALA 20 3.971 -7.149 -0.072 169 HB1 ALA 20 HB1 ALA 20 3.858 -7.952 2.106 170 HB2 ALA 20 HB2 ALA 20 5.159 -6.763 2.196 171 HB3 ALA 20 HB3 ALA 20 3.550 -6.357 2.793 172 H VAL 21 H VAL 21 1.883 -8.035 0.051 173 HA VAL 21 HA VAL 21 -0.219 -6.359 -0.707 174 HB VAL 21 HB VAL 21 -0.530 -8.972 0.794 175 HG11 VAL 21 HG11 VAL 21 -2.441 -7.168 -0.125 176 HG12 VAL 21 HG12 VAL 21 -2.407 -8.451 -1.336 177 HG13 VAL 21 HG13 VAL 21 -2.708 -8.842 0.357 178 HG21 VAL 21 HG21 VAL 21 0.600 -9.884 -0.900 179 HG22 VAL 21 HG22 VAL 21 -0.793 -9.490 -1.907 180 HG23 VAL 21 HG23 VAL 21 0.578 -8.383 -1.827 181 H ASP 22 H ASP 22 0.832 -7.293 2.532 182 HA ASP 22 HA ASP 22 -0.886 -5.158 3.630 183 HB2 ASP 22 HB2 ASP 22 -1.537 -6.866 5.505 184 HB3 ASP 22 HB3 ASP 22 -2.446 -6.846 3.996 185 H ALA 23 H ALA 23 -0.550 -5.327 6.234 186 HA ALA 23 HA ALA 23 2.254 -4.717 6.569 187 HB1 ALA 23 HB1 ALA 23 0.731 -5.149 9.029 188 HB2 ALA 23 HB2 ALA 23 1.571 -3.710 8.448 189 HB3 ALA 23 HB3 ALA 23 -0.065 -4.063 7.890 190 H GLU 24 H GLU 24 0.184 -7.485 7.337 191 HA GLU 24 HA GLU 24 2.063 -8.830 9.030 192 HB2 GLU 24 HB2 GLU 24 -0.202 -9.541 9.099 193 HB3 GLU 24 HB3 GLU 24 -0.267 -9.780 7.359 194 HG2 GLU 24 HG2 GLU 24 1.281 -11.663 7.563 195 HG3 GLU 24 HG3 GLU 24 1.327 -11.428 9.309 196 H THR 25 H THR 25 1.198 -9.430 5.593 197 HA THR 25 HA THR 25 3.184 -11.361 5.089 198 HB THR 25 HB THR 25 2.007 -9.304 3.197 199 HG1 THR 25 HG1 THR 25 0.734 -11.102 4.363 200 HG21 THR 25 HG21 THR 25 3.598 -11.807 2.628 201 HG22 THR 25 HG22 THR 25 4.053 -10.148 2.239 202 HG23 THR 25 HG23 THR 25 2.688 -10.904 1.418 203 H ALA 26 H ALA 26 3.456 -7.915 5.476 204 HA ALA 26 HA ALA 26 6.084 -7.788 4.168 205 HB1 ALA 26 HB1 ALA 26 5.670 -5.468 5.701 206 HB2 ALA 26 HB2 ALA 26 5.451 -5.667 3.962 207 HB3 ALA 26 HB3 ALA 26 4.090 -5.914 5.057 208 H GLU 27 H GLU 27 4.734 -7.905 7.446 209 HA GLU 27 HA GLU 27 6.996 -7.229 8.942 210 HB2 GLU 27 HB2 GLU 27 4.499 -8.558 9.394 211 HB3 GLU 27 HB3 GLU 27 5.765 -9.458 10.219 212 HG2 GLU 27 HG2 GLU 27 6.403 -6.921 10.913 213 HG3 GLU 27 HG3 GLU 27 4.648 -6.809 10.791 214 H LYS 28 H LYS 28 6.193 -10.305 7.365 215 HA LYS 28 HA LYS 28 8.347 -11.804 8.519 216 HB2 LYS 28 HB2 LYS 28 6.585 -12.121 6.106 217 HB3 LYS 28 HB3 LYS 28 7.970 -13.185 6.314 218 HG2 LYS 28 HG2 LYS 28 6.030 -14.265 7.197 219 HG3 LYS 28 HG3 LYS 28 7.086 -13.821 8.540 220 HD2 LYS 28 HD2 LYS 28 5.699 -12.012 9.160 221 HD3 LYS 28 HD3 LYS 28 4.801 -12.082 7.642 222 HE2 LYS 28 HE2 LYS 28 3.292 -13.242 8.827 223 HE3 LYS 28 HE3 LYS 28 4.411 -14.590 8.631 224 HZ1 LYS 28 HZ1 LYS 28 4.301 -14.645 10.856 225 HZ2 LYS 28 HZ2 LYS 28 3.778 -13.043 10.995 226 HZ3 LYS 28 HZ3 LYS 28 5.422 -13.380 10.786 227 H ALA 29 H ALA 29 8.052 -9.814 5.591 228 HA ALA 29 HA ALA 29 10.690 -10.530 4.606 229 HB1 ALA 29 HB1 ALA 29 10.319 -8.665 3.022 230 HB2 ALA 29 HB2 ALA 29 8.969 -9.801 3.069 231 HB3 ALA 29 HB3 ALA 29 8.842 -8.245 3.890 232 H PHE 30 H PHE 30 9.367 -8.095 6.759 233 HA PHE 30 HA PHE 30 11.768 -6.433 6.676 234 HB2 PHE 30 HB2 PHE 30 9.152 -6.402 8.089 235 HB3 PHE 30 HB3 PHE 30 10.492 -5.610 8.912 236 HD1 PHE 30 HD2 PHE 30 12.005 -4.351 6.841 237 HD2 PHE 30 HD1 PHE 30 7.786 -4.807 7.168 238 HE1 PHE 30 HE2 PHE 30 11.684 -2.353 5.441 239 HE2 PHE 30 HE1 PHE 30 7.458 -2.810 5.768 240 HZ PHE 30 HZ PHE 30 9.408 -1.580 4.904 241 H LYS 31 H LYS 31 10.312 -8.789 8.928 242 HA LYS 31 HA LYS 31 12.287 -8.527 10.967 243 HB2 LYS 31 HB2 LYS 31 10.395 -10.741 10.178 244 HB3 LYS 31 HB3 LYS 31 11.524 -10.937 11.512 245 HG2 LYS 31 HG2 LYS 31 9.440 -8.772 11.301 246 HG3 LYS 31 HG3 LYS 31 9.296 -10.246 12.261 247 HD2 LYS 31 HD2 LYS 31 11.685 -9.272 13.126 248 HD3 LYS 31 HD3 LYS 31 10.800 -7.780 12.794 249 HE2 LYS 31 HE2 LYS 31 10.406 -8.378 15.073 250 HE3 LYS 31 HE3 LYS 31 8.922 -8.678 14.170 251 HZ1 LYS 31 HZ1 LYS 31 9.450 -10.485 15.703 252 HZ2 LYS 31 HZ2 LYS 31 10.919 -10.748 14.908 253 HZ3 LYS 31 HZ3 LYS 31 9.459 -11.018 14.097 254 H GLN 32 H GLN 32 12.040 -10.741 8.172 255 HA GLN 32 HA GLN 32 14.242 -12.374 8.689 256 HB2 GLN 32 HB2 GLN 32 12.825 -12.839 6.822 257 HB3 GLN 32 HB3 GLN 32 13.177 -11.286 6.076 258 HG2 GLN 32 HG2 GLN 32 14.903 -12.134 4.989 259 HG3 GLN 32 HG3 GLN 32 15.608 -12.745 6.485 260 HE21 GLN 32 HE21 GLN 32 16.337 -14.609 5.452 261 HE22 GLN 32 HE22 GLN 32 15.263 -15.886 5.004 262 H TYR 33 H TYR 33 14.238 -9.289 6.853 263 HA TYR 33 HA TYR 33 17.011 -9.194 6.355 264 HB2 TYR 33 HB2 TYR 33 15.497 -7.668 5.258 265 HB3 TYR 33 HB3 TYR 33 15.016 -6.954 6.793 266 HD1 TYR 33 HD1 TYR 33 18.066 -7.498 4.706 267 HD2 TYR 33 HD2 TYR 33 16.028 -4.985 7.469 268 HE1 TYR 33 HE1 TYR 33 19.837 -5.809 4.466 269 HE2 TYR 33 HE2 TYR 33 17.793 -3.288 7.236 270 HH TYR 33 HH TYR 33 20.651 -3.874 5.222 271 H ALA 34 H ALA 34 15.217 -8.631 9.285 272 HA ALA 34 HA ALA 34 17.233 -7.063 10.630 273 HB1 ALA 34 HB1 ALA 34 14.655 -7.635 11.155 274 HB2 ALA 34 HB2 ALA 34 15.442 -8.770 12.253 275 HB3 ALA 34 HB3 ALA 34 15.789 -7.044 12.370 276 H ASN 35 H ASN 35 16.363 -10.540 10.691 277 HA ASN 35 HA ASN 35 18.350 -11.311 12.573 278 HB2 ASN 35 HB2 ASN 35 16.656 -12.677 10.549 279 HB3 ASN 35 HB3 ASN 35 18.091 -13.550 11.076 280 HD21 ASN 35 HD21 ASN 35 16.537 -15.075 11.930 281 HD22 ASN 35 HD22 ASN 35 15.839 -14.791 13.484 282 H ASP 36 H ASP 36 18.400 -11.331 8.991 283 HA ASP 36 HA ASP 36 20.984 -12.389 8.657 284 HB2 ASP 36 HB2 ASP 36 19.713 -10.230 6.949 285 HB3 ASP 36 HB3 ASP 36 20.951 -11.381 6.453 286 H ASN 37 H ASN 37 19.956 -9.194 9.657 287 HA ASN 37 HA ASN 37 22.735 -8.176 9.391 288 HB2 ASN 37 HB2 ASN 37 20.037 -6.961 9.622 289 HB3 ASN 37 HB3 ASN 37 21.336 -6.098 10.440 290 HD21 ASN 37 HD21 ASN 37 23.393 -5.972 9.017 291 HD22 ASN 37 HD22 ASN 37 23.123 -5.449 7.393 292 H GLY 38 H GLY 38 20.756 -9.735 11.637 293 HA2 GLY 38 HA2 GLY 38 21.260 -10.291 13.842 294 HA3 GLY 38 HA3 GLY 38 22.723 -9.324 13.737 295 H VAL 39 H VAL 39 19.668 -7.895 12.887 296 HA VAL 39 HA VAL 39 19.895 -6.198 15.325 297 HB VAL 39 HB VAL 39 18.327 -5.748 12.771 298 HG11 VAL 39 HG11 VAL 39 17.128 -4.343 14.025 299 HG12 VAL 39 HG12 VAL 39 18.251 -4.462 15.382 300 HG13 VAL 39 HG13 VAL 39 18.574 -3.333 14.065 301 HG21 VAL 39 HG21 VAL 39 21.007 -4.847 13.732 302 HG22 VAL 39 HG22 VAL 39 20.521 -5.417 12.135 303 HG23 VAL 39 HG23 VAL 39 20.061 -3.801 12.672 304 H ASP 40 H ASP 40 18.588 -6.547 16.975 305 HA ASP 40 HA ASP 40 15.792 -7.347 16.442 306 HB2 ASP 40 HB2 ASP 40 17.144 -9.459 16.738 307 HB3 ASP 40 HB3 ASP 40 17.514 -8.923 18.375 308 H GLY 41 H GLY 41 14.345 -6.883 18.132 309 HA2 GLY 41 HA2 GLY 41 14.925 -6.111 20.726 310 HA3 GLY 41 HA3 GLY 41 15.221 -4.658 19.782 311 H VAL 42 H VAL 42 13.591 -3.284 19.844 312 HA VAL 42 HA VAL 42 10.843 -4.428 20.092 313 HB VAL 42 HB VAL 42 11.920 -1.680 20.767 314 HG11 VAL 42 HG11 VAL 42 9.415 -1.699 21.777 315 HG12 VAL 42 HG12 VAL 42 9.843 -1.000 20.214 316 HG13 VAL 42 HG13 VAL 42 9.174 -2.630 20.299 317 HG21 VAL 42 HG21 VAL 42 11.322 -4.124 22.288 318 HG22 VAL 42 HG22 VAL 42 12.439 -2.807 22.648 319 HG23 VAL 42 HG23 VAL 42 10.720 -2.627 23.000 320 H TRP 43 H TRP 43 9.407 -4.224 18.505 321 HA TRP 43 HA TRP 43 10.127 -2.368 16.268 322 HB2 TRP 43 HB2 TRP 43 8.866 -5.109 16.271 323 HB3 TRP 43 HB3 TRP 43 8.631 -4.004 14.919 324 HD1 TRP 43 HD1 TRP 43 11.616 -5.555 16.866 325 HE1 TRP 43 HE1 TRP 43 13.513 -5.988 15.182 326 HE3 TRP 43 HE3 TRP 43 9.435 -3.614 12.669 327 HZ2 TRP 43 HZ2 TRP 43 14.019 -5.563 12.437 328 HZ3 TRP 43 HZ3 TRP 43 10.693 -3.666 10.555 329 HH2 TRP 43 HH2 TRP 43 12.937 -4.620 10.444 330 H THR 44 H THR 44 8.576 -1.050 15.399 331 HA THR 44 HA THR 44 5.949 -1.066 16.837 332 HB THR 44 HB THR 44 5.974 1.457 16.234 333 HG1 THR 44 HG1 THR 44 8.348 2.122 16.395 334 HG21 THR 44 HG21 THR 44 7.993 1.303 18.272 335 HG22 THR 44 HG22 THR 44 6.824 -0.001 18.483 336 HG23 THR 44 HG23 THR 44 6.277 1.674 18.431 337 H TYR 45 H TYR 45 4.099 -0.825 15.667 338 HA TYR 45 HA TYR 45 4.440 -0.478 12.718 339 HB2 TYR 45 HB2 TYR 45 4.066 -2.798 12.922 340 HB3 TYR 45 HB3 TYR 45 2.883 -2.591 14.209 341 HD1 TYR 45 HD1 TYR 45 3.082 -0.873 10.910 342 HD2 TYR 45 HD2 TYR 45 0.947 -3.598 13.384 343 HE1 TYR 45 HE1 TYR 45 1.269 -0.953 9.249 344 HE2 TYR 45 HE2 TYR 45 -0.870 -3.686 11.730 345 HH TYR 45 HH TYR 45 -1.601 -2.986 9.758 346 H ASP 46 H ASP 46 3.316 1.169 11.962 347 HA ASP 46 HA ASP 46 0.761 1.860 13.351 348 HB2 ASP 46 HB2 ASP 46 2.746 3.412 13.863 349 HB3 ASP 46 HB3 ASP 46 2.621 3.939 12.187 350 H ASP 47 H ASP 47 -0.488 0.841 11.799 351 HA ASP 47 HA ASP 47 -0.169 0.977 9.019 352 HB2 ASP 47 HB2 ASP 47 -2.351 0.170 8.860 353 HB3 ASP 47 HB3 ASP 47 -1.893 -0.314 10.491 354 H ALA 48 H ALA 48 -1.480 3.366 11.251 355 HA ALA 48 HA ALA 48 -2.907 5.042 9.563 356 HB1 ALA 48 HB1 ALA 48 -2.470 6.796 11.090 357 HB2 ALA 48 HB2 ALA 48 -2.447 5.311 12.041 358 HB3 ALA 48 HB3 ALA 48 -0.932 6.090 11.587 359 H THR 49 H THR 49 0.634 4.855 9.954 360 HA THR 49 HA THR 49 0.868 6.313 7.363 361 HB THR 49 HB THR 49 1.330 7.970 9.092 362 HG1 THR 49 HG1 THR 49 3.797 7.096 7.966 363 HG21 THR 49 HG21 THR 49 3.564 7.469 10.414 364 HG22 THR 49 HG22 THR 49 3.047 5.798 10.191 365 HG23 THR 49 HG23 THR 49 1.999 6.941 11.030 366 H LYS 50 H LYS 50 0.994 3.479 8.040 367 HA LYS 50 HA LYS 50 2.550 1.701 8.085 368 HB2 LYS 50 HB2 LYS 50 3.703 1.730 5.747 369 HB3 LYS 50 HB3 LYS 50 1.949 1.649 5.840 370 HG2 LYS 50 HG2 LYS 50 3.057 4.364 5.720 371 HG3 LYS 50 HG3 LYS 50 3.327 3.376 4.283 372 HD2 LYS 50 HD2 LYS 50 1.207 3.621 3.650 373 HD3 LYS 50 HD3 LYS 50 0.625 3.062 5.219 374 HE2 LYS 50 HE2 LYS 50 0.174 5.141 5.910 375 HE3 LYS 50 HE3 LYS 50 1.704 5.768 5.297 376 HZ1 LYS 50 HZ1 LYS 50 0.098 6.852 4.043 377 HZ2 LYS 50 HZ2 LYS 50 -0.866 5.472 3.873 378 HZ3 LYS 50 HZ3 LYS 50 0.591 5.596 3.022 379 H THR 51 H THR 51 3.702 3.289 9.829 380 HA THR 51 HA THR 51 6.499 3.688 8.855 381 HB THR 51 HB THR 51 5.095 4.877 11.266 382 HG1 THR 51 HG1 THR 51 5.670 5.767 8.672 383 HG21 THR 51 HG21 THR 51 7.946 4.873 10.382 384 HG22 THR 51 HG22 THR 51 7.273 4.777 12.009 385 HG23 THR 51 HG23 THR 51 7.292 6.318 11.152 386 H PHE 52 H PHE 52 7.550 1.807 9.159 387 HA PHE 52 HA PHE 52 7.174 0.415 11.762 388 HB2 PHE 52 HB2 PHE 52 8.568 -0.475 9.218 389 HB3 PHE 52 HB3 PHE 52 8.388 -1.451 10.672 390 HD1 PHE 52 HD1 PHE 52 6.431 0.334 8.070 391 HD2 PHE 52 HD2 PHE 52 6.510 -2.784 10.967 392 HE1 PHE 52 HE1 PHE 52 4.261 -0.483 7.246 393 HE2 PHE 52 HE2 PHE 52 4.341 -3.606 10.147 394 HZ PHE 52 HZ PHE 52 3.214 -2.455 8.284 395 H THR 53 H THR 53 8.748 0.201 13.256 396 HA THR 53 HA THR 53 11.430 1.316 12.555 397 HB THR 53 HB THR 53 10.184 1.749 15.268 398 HG1 THR 53 HG1 THR 53 10.188 3.711 13.222 399 HG21 THR 53 HG21 THR 53 12.476 2.155 15.375 400 HG22 THR 53 HG22 THR 53 11.806 3.758 15.073 401 HG23 THR 53 HG23 THR 53 12.529 2.841 13.751 402 H VAL 54 H VAL 54 13.188 0.581 13.902 403 HA VAL 54 HA VAL 54 12.579 -1.890 15.451 404 HB VAL 54 HB VAL 54 13.224 -2.743 13.303 405 HG11 VAL 54 HG11 VAL 54 14.455 -1.504 11.932 406 HG12 VAL 54 HG12 VAL 54 14.937 -0.440 13.255 407 HG13 VAL 54 HG13 VAL 54 15.869 -1.898 12.910 408 HG21 VAL 54 HG21 VAL 54 14.982 -4.155 13.925 409 HG22 VAL 54 HG22 VAL 54 15.748 -2.917 14.919 410 HG23 VAL 54 HG23 VAL 54 14.252 -3.679 15.459 411 H THR 55 H THR 55 13.434 -1.754 17.401 412 HA THR 55 HA THR 55 15.773 0.065 17.767 413 HB THR 55 HB THR 55 14.260 -1.032 20.100 414 HG1 THR 55 HG1 THR 55 12.681 -0.291 18.506 415 HG21 THR 55 HG21 THR 55 14.603 1.582 20.576 416 HG22 THR 55 HG22 THR 55 15.908 1.334 19.416 417 HG23 THR 55 HG23 THR 55 15.853 0.381 20.899 418 H GLU 56 H GLU 56 17.285 -0.580 19.575 419 HA GLU 56 HA GLU 56 17.956 -3.454 19.178 420 HB2 GLU 56 HB2 GLU 56 19.502 -0.973 19.580 421 HB3 GLU 56 HB3 GLU 56 20.096 -2.354 20.491 422 HG2 GLU 56 HG2 GLU 56 19.585 -2.383 17.527 423 HG3 GLU 56 HG3 GLU 56 21.152 -2.054 18.264 Start of MODEL 38 1 H1 MET 1 H MET 1 -0.097 0.357 0.806 2 HA MET 1 HA MET 1 0.999 -0.413 -1.045 3 HB2 MET 1 HB2 MET 1 0.182 2.173 -1.456 4 HB3 MET 1 HB3 MET 1 1.880 2.251 -1.903 5 HG2 MET 1 HG2 MET 1 1.127 0.002 -3.195 6 HG3 MET 1 HG3 MET 1 -0.372 0.929 -3.240 7 HE1 MET 1 HE1 MET 1 -0.417 1.304 -5.958 8 HE2 MET 1 HE2 MET 1 1.115 1.448 -6.820 9 HE3 MET 1 HE3 MET 1 0.807 0.044 -5.796 10 H GLN 2 H GLN 2 2.770 1.904 0.914 11 HA GLN 2 HA GLN 2 5.232 0.337 0.374 12 HB2 GLN 2 HB2 GLN 2 4.947 3.327 0.026 13 HB3 GLN 2 HB3 GLN 2 6.503 2.546 0.273 14 HG2 GLN 2 HG2 GLN 2 6.093 1.179 -1.743 15 HG3 GLN 2 HG3 GLN 2 4.600 2.077 -2.008 16 HE21 GLN 2 HE21 GLN 2 8.013 2.767 -1.306 17 HE22 GLN 2 HE22 GLN 2 8.175 4.026 -2.477 18 H TYR 3 H TYR 3 6.115 -0.259 2.223 19 HA TYR 3 HA TYR 3 5.329 1.199 4.680 20 HB2 TYR 3 HB2 TYR 3 6.728 -1.452 4.228 21 HB3 TYR 3 HB3 TYR 3 6.435 -0.760 5.820 22 HD1 TYR 3 HD2 TYR 3 3.900 -0.067 6.243 23 HD2 TYR 3 HD1 TYR 3 5.192 -2.964 3.408 24 HE1 TYR 3 HE2 TYR 3 1.665 -1.093 6.283 25 HE2 TYR 3 HE1 TYR 3 2.960 -3.998 3.438 26 HH TYR 3 HH TYR 3 0.430 -2.841 5.628 27 H LYS 4 H LYS 4 6.789 2.019 6.183 28 HA LYS 4 HA LYS 4 9.539 2.445 5.081 29 HB2 LYS 4 HB2 LYS 4 8.368 4.537 5.073 30 HB3 LYS 4 HB3 LYS 4 7.764 4.281 6.705 31 HG2 LYS 4 HG2 LYS 4 9.567 5.920 6.657 32 HG3 LYS 4 HG3 LYS 4 10.015 4.493 7.594 33 HD2 LYS 4 HD2 LYS 4 11.743 4.059 6.253 34 HD3 LYS 4 HD3 LYS 4 10.739 4.200 4.808 35 HE2 LYS 4 HE2 LYS 4 10.938 6.691 5.033 36 HE3 LYS 4 HE3 LYS 4 12.122 6.417 6.310 37 HZ1 LYS 4 HZ1 LYS 4 13.387 6.698 4.398 38 HZ2 LYS 4 HZ2 LYS 4 12.341 5.784 3.434 39 HZ3 LYS 4 HZ3 LYS 4 13.327 5.017 4.574 40 H LEU 5 H LEU 5 11.267 2.023 6.342 41 HA LEU 5 HA LEU 5 10.692 1.258 9.175 42 HB2 LEU 5 HB2 LEU 5 11.019 -0.784 8.015 43 HB3 LEU 5 HB3 LEU 5 12.395 -0.144 7.120 44 HG LEU 5 HG LEU 5 13.716 -0.121 9.190 45 HD11 LEU 5 HD11 LEU 5 11.134 -0.534 10.382 46 HD12 LEU 5 HD12 LEU 5 12.666 -0.109 11.143 47 HD13 LEU 5 HD13 LEU 5 12.255 -1.803 10.876 48 HD21 LEU 5 HD21 LEU 5 12.511 -2.852 8.900 49 HD22 LEU 5 HD22 LEU 5 14.189 -2.406 9.213 50 HD23 LEU 5 HD23 LEU 5 13.487 -2.137 7.617 51 H VAL 6 H VAL 6 12.268 1.719 10.707 52 HA VAL 6 HA VAL 6 14.557 3.363 9.708 53 HB VAL 6 HB VAL 6 12.831 3.972 12.123 54 HG11 VAL 6 HG11 VAL 6 15.247 5.416 11.038 55 HG12 VAL 6 HG12 VAL 6 14.233 5.962 12.375 56 HG13 VAL 6 HG13 VAL 6 15.180 4.482 12.532 57 HG21 VAL 6 HG21 VAL 6 11.975 5.807 10.955 58 HG22 VAL 6 HG22 VAL 6 13.233 5.726 9.721 59 HG23 VAL 6 HG23 VAL 6 11.963 4.503 9.767 60 H ILE 7 H ILE 7 16.275 2.109 10.078 61 HA ILE 7 HA ILE 7 16.370 0.476 12.539 62 HB ILE 7 HB ILE 7 18.334 0.708 10.244 63 HG12 ILE 7 HG12 ILE 7 16.800 -1.775 10.775 64 HG13 ILE 7 HG13 ILE 7 15.890 -0.418 10.122 65 HG21 ILE 7 HG21 ILE 7 19.466 0.061 12.284 66 HG22 ILE 7 HG22 ILE 7 18.265 -1.195 12.580 67 HG23 ILE 7 HG23 ILE 7 19.351 -1.322 11.196 68 HD11 ILE 7 HD11 ILE 7 18.349 -1.634 8.887 69 HD12 ILE 7 HD12 ILE 7 16.685 -1.904 8.367 70 HD13 ILE 7 HD13 ILE 7 17.403 -0.300 8.226 71 H ASN 8 H ASN 8 17.003 1.417 14.355 72 HA ASN 8 HA ASN 8 19.269 3.364 14.166 73 HB2 ASN 8 HB2 ASN 8 16.825 3.335 15.941 74 HB3 ASN 8 HB3 ASN 8 18.274 4.231 16.388 75 HD21 ASN 8 HD21 ASN 8 19.151 5.455 14.293 76 HD22 ASN 8 HD22 ASN 8 17.960 6.461 13.548 77 H GLY 9 H GLY 9 20.357 1.099 14.240 78 HA2 GLY 9 HA2 GLY 9 20.428 -0.093 16.915 79 HA3 GLY 9 HA3 GLY 9 21.372 -0.584 15.516 80 H LYS 10 H LYS 10 22.025 -0.024 18.425 81 HA LYS 10 HA LYS 10 23.506 2.326 18.733 82 HB2 LYS 10 HB2 LYS 10 23.038 0.235 20.315 83 HB3 LYS 10 HB3 LYS 10 24.657 -0.221 19.799 84 HG2 LYS 10 HG2 LYS 10 25.640 1.387 21.018 85 HG3 LYS 10 HG3 LYS 10 24.371 2.567 20.678 86 HD2 LYS 10 HD2 LYS 10 22.942 1.023 22.241 87 HD3 LYS 10 HD3 LYS 10 24.523 0.501 22.829 88 HE2 LYS 10 HE2 LYS 10 25.084 2.902 23.221 89 HE3 LYS 10 HE3 LYS 10 23.419 3.307 22.803 90 HZ1 LYS 10 HZ1 LYS 10 23.524 3.166 25.140 91 HZ2 LYS 10 HZ2 LYS 10 24.368 1.701 25.105 92 HZ3 LYS 10 HZ3 LYS 10 22.745 1.753 24.631 93 H THR 11 H THR 11 24.229 -0.504 16.825 94 HA THR 11 HA THR 11 26.900 0.692 16.188 95 HB THR 11 HB THR 11 27.591 -1.599 15.496 96 HG1 THR 11 HG1 THR 11 25.053 -2.283 16.594 97 HG21 THR 11 HG21 THR 11 28.483 -1.528 17.543 98 HG22 THR 11 HG22 THR 11 27.077 -2.434 18.102 99 HG23 THR 11 HG23 THR 11 27.085 -0.673 18.192 100 H LEU 12 H LEU 12 24.096 -1.103 14.890 101 HA LEU 12 HA LEU 12 24.923 -0.246 12.156 102 HB2 LEU 12 HB2 LEU 12 24.566 -2.559 12.186 103 HB3 LEU 12 HB3 LEU 12 23.137 -2.422 13.209 104 HG LEU 12 HG LEU 12 21.816 -1.637 11.378 105 HD11 LEU 12 HD11 LEU 12 23.177 -1.747 9.065 106 HD12 LEU 12 HD12 LEU 12 24.450 -1.171 10.140 107 HD13 LEU 12 HD13 LEU 12 22.945 -0.264 9.992 108 HD21 LEU 12 HD21 LEU 12 21.531 -3.760 10.804 109 HD22 LEU 12 HD22 LEU 12 23.153 -4.154 11.373 110 HD23 LEU 12 HD23 LEU 12 22.905 -3.637 9.704 111 H LYS 13 H LYS 13 24.028 1.525 11.376 112 HA LYS 13 HA LYS 13 21.181 2.069 12.108 113 HB2 LYS 13 HB2 LYS 13 23.521 3.690 12.615 114 HB3 LYS 13 HB3 LYS 13 22.417 4.541 11.542 115 HG2 LYS 13 HG2 LYS 13 20.667 4.465 13.118 116 HG3 LYS 13 HG3 LYS 13 21.514 3.278 14.113 117 HD2 LYS 13 HD2 LYS 13 23.218 5.519 13.843 118 HD3 LYS 13 HD3 LYS 13 21.611 6.128 14.247 119 HE2 LYS 13 HE2 LYS 13 21.688 4.187 16.022 120 HE3 LYS 13 HE3 LYS 13 23.430 4.358 15.811 121 HZ1 LYS 13 HZ1 LYS 13 21.534 6.490 16.634 122 HZ2 LYS 13 HZ2 LYS 13 23.180 6.735 16.331 123 HZ3 LYS 13 HZ3 LYS 13 22.694 5.741 17.611 124 H GLY 14 H GLY 14 19.837 2.436 10.456 125 HA2 GLY 14 HA2 GLY 14 20.687 3.672 7.999 126 HA3 GLY 14 HA3 GLY 14 20.580 1.929 7.801 127 H GLU 15 H GLU 15 18.965 2.683 6.153 128 HA GLU 15 HA GLU 15 16.303 2.501 7.410 129 HB2 GLU 15 HB2 GLU 15 17.238 5.005 6.795 130 HB3 GLU 15 HB3 GLU 15 16.397 4.571 5.313 131 HG2 GLU 15 HG2 GLU 15 14.347 4.262 6.467 132 HG3 GLU 15 HG3 GLU 15 15.142 4.375 8.036 133 H THR 16 H THR 16 14.577 2.101 5.825 134 HA THR 16 HA THR 16 15.176 1.538 3.083 135 HB THR 16 HB THR 16 16.484 -0.326 3.878 136 HG1 THR 16 HG1 THR 16 15.585 -1.395 2.298 137 HG21 THR 16 HG21 THR 16 15.252 -2.161 5.186 138 HG22 THR 16 HG22 THR 16 14.079 -0.906 5.584 139 HG23 THR 16 HG23 THR 16 15.764 -0.726 6.073 140 H THR 17 H THR 17 13.391 0.390 1.975 141 HA THR 17 HA THR 17 10.863 0.530 3.564 142 HB THR 17 HB THR 17 9.809 1.288 1.321 143 HG1 THR 17 HG1 THR 17 12.530 2.044 0.916 144 HG21 THR 17 HG21 THR 17 9.576 2.997 2.766 145 HG22 THR 17 HG22 THR 17 10.935 3.711 1.897 146 HG23 THR 17 HG23 THR 17 11.214 2.816 3.391 147 H THR 18 H THR 18 9.040 -0.649 2.554 148 HA THR 18 HA THR 18 9.774 -2.717 0.599 149 HB THR 18 HB THR 18 8.618 -3.788 3.142 150 HG1 THR 18 HG1 THR 18 10.973 -4.252 3.642 151 HG21 THR 18 HG21 THR 18 9.971 -4.784 0.719 152 HG22 THR 18 HG22 THR 18 8.721 -5.536 1.711 153 HG23 THR 18 HG23 THR 18 10.408 -5.596 2.221 154 H LYS 19 H LYS 19 8.006 -3.729 -0.363 155 HA LYS 19 HA LYS 19 5.376 -2.510 0.385 156 HB2 LYS 19 HB2 LYS 19 4.799 -2.355 -1.861 157 HB3 LYS 19 HB3 LYS 19 6.515 -1.971 -1.899 158 HG2 LYS 19 HG2 LYS 19 5.374 -4.698 -2.469 159 HG3 LYS 19 HG3 LYS 19 5.781 -3.503 -3.703 160 HD2 LYS 19 HD2 LYS 19 8.086 -3.568 -2.282 161 HD3 LYS 19 HD3 LYS 19 7.532 -5.232 -2.086 162 HE2 LYS 19 HE2 LYS 19 7.471 -4.011 -4.801 163 HE3 LYS 19 HE3 LYS 19 9.023 -4.515 -4.137 164 HZ1 LYS 19 HZ1 LYS 19 7.242 -6.587 -3.670 165 HZ2 LYS 19 HZ2 LYS 19 8.533 -6.567 -4.762 166 HZ3 LYS 19 HZ3 LYS 19 6.988 -6.105 -5.272 167 H ALA 20 H ALA 20 3.629 -3.794 0.676 168 HA ALA 20 HA ALA 20 3.691 -6.592 -0.196 169 HB1 ALA 20 HB1 ALA 20 3.056 -6.778 2.561 170 HB2 ALA 20 HB2 ALA 20 4.409 -7.508 1.696 171 HB3 ALA 20 HB3 ALA 20 4.589 -5.915 2.429 172 H VAL 21 H VAL 21 1.672 -7.588 -0.177 173 HA VAL 21 HA VAL 21 -0.558 -5.948 -0.579 174 HB VAL 21 HB VAL 21 -1.907 -8.069 -0.036 175 HG11 VAL 21 HG11 VAL 21 -1.148 -7.341 -2.295 176 HG12 VAL 21 HG12 VAL 21 0.289 -8.344 -2.082 177 HG13 VAL 21 HG13 VAL 21 -1.310 -9.088 -2.120 178 HG21 VAL 21 HG21 VAL 21 -0.846 -10.050 0.475 179 HG22 VAL 21 HG22 VAL 21 0.717 -9.493 -0.124 180 HG23 VAL 21 HG23 VAL 21 0.100 -8.897 1.417 181 H ASP 22 H ASP 22 0.714 -7.299 2.418 182 HA ASP 22 HA ASP 22 -1.245 -5.615 3.891 183 HB2 ASP 22 HB2 ASP 22 -1.220 -7.674 5.581 184 HB3 ASP 22 HB3 ASP 22 -2.381 -7.578 4.259 185 H ALA 23 H ALA 23 -0.647 -5.460 6.260 186 HA ALA 23 HA ALA 23 2.184 -4.765 6.386 187 HB1 ALA 23 HB1 ALA 23 0.421 -4.745 8.797 188 HB2 ALA 23 HB2 ALA 23 1.656 -3.593 8.288 189 HB3 ALA 23 HB3 ALA 23 0.087 -3.615 7.484 190 H GLU 24 H GLU 24 0.421 -7.596 6.902 191 HA GLU 24 HA GLU 24 2.087 -8.591 9.107 192 HB2 GLU 24 HB2 GLU 24 -0.172 -9.355 9.081 193 HB3 GLU 24 HB3 GLU 24 -0.073 -9.829 7.391 194 HG2 GLU 24 HG2 GLU 24 1.027 -11.771 7.851 195 HG3 GLU 24 HG3 GLU 24 1.770 -11.134 9.317 196 H THR 25 H THR 25 1.494 -9.579 5.704 197 HA THR 25 HA THR 25 3.550 -11.494 5.549 198 HB THR 25 HB THR 25 1.776 -11.071 3.817 199 HG1 THR 25 HG1 THR 25 3.492 -11.309 2.024 200 HG21 THR 25 HG21 THR 25 3.527 -9.148 2.414 201 HG22 THR 25 HG22 THR 25 2.623 -8.515 3.789 202 HG23 THR 25 HG23 THR 25 1.769 -9.268 2.443 203 H ALA 26 H ALA 26 3.694 -7.988 5.399 204 HA ALA 26 HA ALA 26 6.358 -7.857 4.280 205 HB1 ALA 26 HB1 ALA 26 6.144 -5.590 4.458 206 HB2 ALA 26 HB2 ALA 26 4.441 -6.044 4.531 207 HB3 ALA 26 HB3 ALA 26 5.318 -5.670 6.015 208 H GLU 27 H GLU 27 5.009 -8.005 7.553 209 HA GLU 27 HA GLU 27 7.249 -7.257 9.053 210 HB2 GLU 27 HB2 GLU 27 4.993 -7.830 9.955 211 HB3 GLU 27 HB3 GLU 27 5.351 -9.532 9.698 212 HG2 GLU 27 HG2 GLU 27 7.018 -9.542 11.350 213 HG3 GLU 27 HG3 GLU 27 7.084 -7.782 11.408 214 H LYS 28 H LYS 28 6.554 -10.336 7.438 215 HA LYS 28 HA LYS 28 8.717 -11.802 8.613 216 HB2 LYS 28 HB2 LYS 28 6.644 -12.294 6.775 217 HB3 LYS 28 HB3 LYS 28 8.131 -12.637 5.901 218 HG2 LYS 28 HG2 LYS 28 8.219 -14.613 6.886 219 HG3 LYS 28 HG3 LYS 28 8.408 -13.807 8.445 220 HD2 LYS 28 HD2 LYS 28 6.250 -14.151 9.032 221 HD3 LYS 28 HD3 LYS 28 5.657 -13.931 7.384 222 HE2 LYS 28 HE2 LYS 28 5.825 -16.129 6.892 223 HE3 LYS 28 HE3 LYS 28 7.293 -16.338 7.844 224 HZ1 LYS 28 HZ1 LYS 28 4.490 -16.333 8.790 225 HZ2 LYS 28 HZ2 LYS 28 5.793 -16.137 9.850 226 HZ3 LYS 28 HZ3 LYS 28 5.646 -17.559 8.946 227 H ALA 29 H ALA 29 8.429 -9.900 5.605 228 HA ALA 29 HA ALA 29 11.113 -10.486 4.722 229 HB1 ALA 29 HB1 ALA 29 9.753 -9.801 2.996 230 HB2 ALA 29 HB2 ALA 29 8.991 -8.526 3.947 231 HB3 ALA 29 HB3 ALA 29 10.632 -8.311 3.339 232 H PHE 30 H PHE 30 9.619 -7.808 6.541 233 HA PHE 30 HA PHE 30 11.966 -6.173 6.622 234 HB2 PHE 30 HB2 PHE 30 9.336 -6.257 7.952 235 HB3 PHE 30 HB3 PHE 30 10.613 -5.527 8.920 236 HD1 PHE 30 HD1 PHE 30 12.236 -4.067 7.105 237 HD2 PHE 30 HD2 PHE 30 8.017 -4.626 7.033 238 HE1 PHE 30 HE1 PHE 30 11.982 -1.963 5.854 239 HE2 PHE 30 HE2 PHE 30 7.756 -2.524 5.782 240 HZ PHE 30 HZ PHE 30 9.740 -1.190 5.190 241 H LYS 31 H LYS 31 10.666 -8.644 8.840 242 HA LYS 31 HA LYS 31 12.638 -8.293 10.875 243 HB2 LYS 31 HB2 LYS 31 10.402 -9.647 10.855 244 HB3 LYS 31 HB3 LYS 31 11.400 -10.965 10.257 245 HG2 LYS 31 HG2 LYS 31 12.474 -11.240 12.238 246 HG3 LYS 31 HG3 LYS 31 12.337 -9.536 12.677 247 HD2 LYS 31 HD2 LYS 31 9.992 -11.426 12.612 248 HD3 LYS 31 HD3 LYS 31 10.957 -11.126 14.059 249 HE2 LYS 31 HE2 LYS 31 10.434 -8.702 13.820 250 HE3 LYS 31 HE3 LYS 31 9.352 -9.111 12.490 251 HZ1 LYS 31 HZ1 LYS 31 8.504 -8.892 14.961 252 HZ2 LYS 31 HZ2 LYS 31 8.966 -10.518 15.020 253 HZ3 LYS 31 HZ3 LYS 31 7.823 -10.004 13.883 254 H GLN 32 H GLN 32 12.639 -10.039 7.824 255 HA GLN 32 HA GLN 32 14.859 -11.748 8.345 256 HB2 GLN 32 HB2 GLN 32 13.454 -12.126 6.428 257 HB3 GLN 32 HB3 GLN 32 13.818 -10.534 5.774 258 HG2 GLN 32 HG2 GLN 32 15.546 -11.346 4.668 259 HG3 GLN 32 HG3 GLN 32 16.259 -11.949 6.163 260 HE21 GLN 32 HE21 GLN 32 17.064 -13.756 5.054 261 HE22 GLN 32 HE22 GLN 32 16.037 -15.072 4.608 262 H TYR 33 H TYR 33 14.653 -8.426 7.071 263 HA TYR 33 HA TYR 33 17.360 -8.102 6.355 264 HB2 TYR 33 HB2 TYR 33 15.384 -6.508 5.997 265 HB3 TYR 33 HB3 TYR 33 15.691 -5.925 7.629 266 HD1 TYR 33 HD2 TYR 33 17.442 -6.482 4.380 267 HD2 TYR 33 HD1 TYR 33 17.172 -4.169 7.941 268 HE1 TYR 33 HE2 TYR 33 19.149 -4.944 3.503 269 HE2 TYR 33 HE1 TYR 33 18.878 -2.623 7.073 270 HH TYR 33 HH TYR 33 20.199 -2.108 5.368 271 H ALA 34 H ALA 34 15.811 -7.023 9.415 272 HA ALA 34 HA ALA 34 18.147 -6.273 10.758 273 HB1 ALA 34 HB1 ALA 34 16.694 -5.857 12.388 274 HB2 ALA 34 HB2 ALA 34 15.441 -6.616 11.404 275 HB3 ALA 34 HB3 ALA 34 16.335 -7.573 12.586 276 H ASN 35 H ASN 35 16.525 -9.477 10.853 277 HA ASN 35 HA ASN 35 18.378 -10.757 12.539 278 HB2 ASN 35 HB2 ASN 35 16.433 -11.644 10.461 279 HB3 ASN 35 HB3 ASN 35 17.646 -12.814 10.971 280 HD21 ASN 35 HD21 ASN 35 15.896 -14.054 11.813 281 HD22 ASN 35 HD22 ASN 35 15.209 -13.662 13.348 282 H ASP 36 H ASP 36 18.296 -10.822 8.947 283 HA ASP 36 HA ASP 36 20.739 -12.215 8.627 284 HB2 ASP 36 HB2 ASP 36 18.825 -11.322 6.935 285 HB3 ASP 36 HB3 ASP 36 20.085 -10.135 6.608 286 H ASN 37 H ASN 37 20.093 -8.911 9.489 287 HA ASN 37 HA ASN 37 22.854 -8.076 8.842 288 HB2 ASN 37 HB2 ASN 37 20.345 -6.693 9.726 289 HB3 ASN 37 HB3 ASN 37 21.893 -5.915 10.043 290 HD21 ASN 37 HD21 ASN 37 19.437 -6.308 7.843 291 HD22 ASN 37 HD22 ASN 37 20.238 -5.710 6.433 292 H GLY 38 H GLY 38 21.185 -9.556 11.387 293 HA2 GLY 38 HA2 GLY 38 22.229 -10.293 13.378 294 HA3 GLY 38 HA3 GLY 38 23.506 -9.108 13.151 295 H VAL 39 H VAL 39 20.752 -7.433 12.605 296 HA VAL 39 HA VAL 39 20.808 -6.354 15.362 297 HB VAL 39 HB VAL 39 19.512 -5.342 12.820 298 HG11 VAL 39 HG11 VAL 39 19.226 -4.494 15.648 299 HG12 VAL 39 HG12 VAL 39 19.360 -3.230 14.425 300 HG13 VAL 39 HG13 VAL 39 18.067 -4.425 14.321 301 HG21 VAL 39 HG21 VAL 39 21.833 -4.297 14.440 302 HG22 VAL 39 HG22 VAL 39 21.952 -5.146 12.899 303 HG23 VAL 39 HG23 VAL 39 21.177 -3.564 12.976 304 H ASP 40 H ASP 40 19.201 -6.517 16.808 305 HA ASP 40 HA ASP 40 16.496 -7.245 15.959 306 HB2 ASP 40 HB2 ASP 40 17.550 -9.455 16.012 307 HB3 ASP 40 HB3 ASP 40 18.133 -9.163 17.648 308 H GLY 41 H GLY 41 14.940 -7.172 17.705 309 HA2 GLY 41 HA2 GLY 41 15.457 -6.644 20.381 310 HA3 GLY 41 HA3 GLY 41 15.625 -5.082 19.593 311 H VAL 42 H VAL 42 13.879 -3.968 20.220 312 HA VAL 42 HA VAL 42 11.250 -5.331 20.192 313 HB VAL 42 HB VAL 42 11.772 -3.934 22.125 314 HG11 VAL 42 HG11 VAL 42 12.719 -1.917 22.015 315 HG12 VAL 42 HG12 VAL 42 12.988 -2.252 20.304 316 HG13 VAL 42 HG13 VAL 42 11.560 -1.351 20.813 317 HG21 VAL 42 HG21 VAL 42 9.657 -2.621 20.422 318 HG22 VAL 42 HG22 VAL 42 9.436 -4.124 21.320 319 HG23 VAL 42 HG23 VAL 42 9.751 -2.619 22.183 320 H TRP 43 H TRP 43 9.821 -5.159 18.605 321 HA TRP 43 HA TRP 43 10.326 -3.048 16.547 322 HB2 TRP 43 HB2 TRP 43 9.296 -5.866 16.382 323 HB3 TRP 43 HB3 TRP 43 8.805 -4.691 15.165 324 HD1 TRP 43 HD1 TRP 43 12.074 -6.177 16.626 325 HE1 TRP 43 HE1 TRP 43 13.840 -6.197 14.753 326 HE3 TRP 43 HE3 TRP 43 9.392 -3.839 12.954 327 HZ2 TRP 43 HZ2 TRP 43 14.067 -5.336 12.075 328 HZ3 TRP 43 HZ3 TRP 43 10.457 -3.475 10.766 329 HH2 TRP 43 HH2 TRP 43 12.746 -4.209 10.337 330 H THR 44 H THR 44 8.531 -1.994 15.571 331 HA THR 44 HA THR 44 5.960 -2.256 17.049 332 HB THR 44 HB THR 44 5.766 0.225 17.169 333 HG1 THR 44 HG1 THR 44 7.371 0.704 15.564 334 HG21 THR 44 HG21 THR 44 7.098 0.495 19.136 335 HG22 THR 44 HG22 THR 44 8.220 -0.763 18.618 336 HG23 THR 44 HG23 THR 44 6.573 -1.187 19.083 337 H TYR 45 H TYR 45 4.161 -1.102 15.970 338 HA TYR 45 HA TYR 45 4.636 -0.560 13.095 339 HB2 TYR 45 HB2 TYR 45 4.077 -2.829 12.886 340 HB3 TYR 45 HB3 TYR 45 2.898 -2.764 14.192 341 HD1 TYR 45 HD2 TYR 45 3.374 -0.819 11.030 342 HD2 TYR 45 HD1 TYR 45 0.775 -3.198 13.415 343 HE1 TYR 45 HE2 TYR 45 1.576 -0.494 9.384 344 HE2 TYR 45 HE1 TYR 45 -1.030 -2.880 11.774 345 HH TYR 45 HH TYR 45 -0.593 -0.798 8.941 346 H ASP 46 H ASP 46 3.401 1.037 12.305 347 HA ASP 46 HA ASP 46 1.044 1.870 13.942 348 HB2 ASP 46 HB2 ASP 46 3.036 3.332 14.376 349 HB3 ASP 46 HB3 ASP 46 3.035 3.771 12.670 350 H ASP 47 H ASP 47 -0.399 0.933 12.509 351 HA ASP 47 HA ASP 47 -0.351 1.054 9.721 352 HB2 ASP 47 HB2 ASP 47 -2.604 0.443 9.777 353 HB3 ASP 47 HB3 ASP 47 -2.026 -0.089 11.354 354 H ALA 48 H ALA 48 -1.170 3.567 12.032 355 HA ALA 48 HA ALA 48 -2.627 5.348 10.458 356 HB1 ALA 48 HB1 ALA 48 -0.532 6.661 12.030 357 HB2 ALA 48 HB2 ALA 48 -2.288 6.774 12.153 358 HB3 ALA 48 HB3 ALA 48 -1.435 5.437 12.923 359 H THR 49 H THR 49 0.871 4.737 10.458 360 HA THR 49 HA THR 49 1.021 6.344 7.943 361 HB THR 49 HB THR 49 3.505 6.739 8.845 362 HG1 THR 49 HG1 THR 49 3.505 7.042 11.078 363 HG21 THR 49 HG21 THR 49 2.760 8.944 9.673 364 HG22 THR 49 HG22 THR 49 1.093 8.366 9.659 365 HG23 THR 49 HG23 THR 49 1.992 8.506 8.148 366 H LYS 50 H LYS 50 0.778 3.423 8.596 367 HA LYS 50 HA LYS 50 1.947 1.426 8.218 368 HB2 LYS 50 HB2 LYS 50 2.747 1.484 5.720 369 HB3 LYS 50 HB3 LYS 50 1.036 1.622 6.100 370 HG2 LYS 50 HG2 LYS 50 1.191 4.057 5.875 371 HG3 LYS 50 HG3 LYS 50 2.901 3.901 5.466 372 HD2 LYS 50 HD2 LYS 50 2.466 3.166 3.370 373 HD3 LYS 50 HD3 LYS 50 1.036 2.261 3.871 374 HE2 LYS 50 HE2 LYS 50 0.451 4.126 2.399 375 HE3 LYS 50 HE3 LYS 50 -0.242 4.329 4.007 376 HZ1 LYS 50 HZ1 LYS 50 1.462 6.067 2.607 377 HZ2 LYS 50 HZ2 LYS 50 2.264 5.550 4.004 378 HZ3 LYS 50 HZ3 LYS 50 0.747 6.290 4.125 379 H THR 51 H THR 51 3.612 2.920 9.771 380 HA THR 51 HA THR 51 6.262 2.351 8.507 381 HB THR 51 HB THR 51 5.529 4.713 10.260 382 HG1 THR 51 HG1 THR 51 5.354 4.531 7.746 383 HG21 THR 51 HG21 THR 51 7.671 3.900 10.999 384 HG22 THR 51 HG22 THR 51 7.930 5.342 10.017 385 HG23 THR 51 HG23 THR 51 8.234 3.744 9.336 386 H PHE 52 H PHE 52 7.633 1.140 9.664 387 HA PHE 52 HA PHE 52 6.730 0.379 12.401 388 HB2 PHE 52 HB2 PHE 52 8.744 -1.031 10.629 389 HB3 PHE 52 HB3 PHE 52 8.019 -1.645 12.111 390 HD1 PHE 52 HD1 PHE 52 7.317 -0.721 8.605 391 HD2 PHE 52 HD2 PHE 52 5.939 -2.745 12.086 392 HE1 PHE 52 HE1 PHE 52 5.512 -1.750 7.287 393 HE2 PHE 52 HE2 PHE 52 4.132 -3.779 10.774 394 HZ PHE 52 HZ PHE 52 3.918 -3.282 8.371 395 H THR 53 H THR 53 8.644 -0.340 13.850 396 HA THR 53 HA THR 53 10.976 1.466 13.508 397 HB THR 53 HB THR 53 9.799 1.405 16.242 398 HG1 THR 53 HG1 THR 53 8.469 3.256 15.602 399 HG21 THR 53 HG21 THR 53 11.478 3.192 14.560 400 HG22 THR 53 HG22 THR 53 11.694 2.686 16.236 401 HG23 THR 53 HG23 THR 53 10.510 3.930 15.834 402 H VAL 54 H VAL 54 12.773 0.359 13.836 403 HA VAL 54 HA VAL 54 12.616 -2.013 15.656 404 HB VAL 54 HB VAL 54 13.057 -2.711 13.383 405 HG11 VAL 54 HG11 VAL 54 14.207 -1.487 11.930 406 HG12 VAL 54 HG12 VAL 54 14.471 -0.290 13.200 407 HG13 VAL 54 HG13 VAL 54 15.651 -1.576 12.938 408 HG21 VAL 54 HG21 VAL 54 14.997 -4.011 13.738 409 HG22 VAL 54 HG22 VAL 54 15.700 -2.807 14.817 410 HG23 VAL 54 HG23 VAL 54 14.300 -3.745 15.336 411 H THR 55 H THR 55 13.990 -2.175 17.324 412 HA THR 55 HA THR 55 16.095 -0.054 17.523 413 HB THR 55 HB THR 55 15.220 -1.245 20.061 414 HG1 THR 55 HG1 THR 55 13.398 0.430 18.646 415 HG21 THR 55 HG21 THR 55 16.517 1.034 19.213 416 HG22 THR 55 HG22 THR 55 15.900 0.744 20.840 417 HG23 THR 55 HG23 THR 55 14.922 1.630 19.670 418 H GLU 56 H GLU 56 17.486 -0.883 19.691 419 HA GLU 56 HA GLU 56 18.593 -3.485 18.728 420 HB2 GLU 56 HB2 GLU 56 19.795 -0.961 19.530 421 HB3 GLU 56 HB3 GLU 56 20.448 -2.302 20.460 422 HG2 GLU 56 HG2 GLU 56 20.403 -2.036 17.465 423 HG3 GLU 56 HG3 GLU 56 21.810 -1.930 18.521 Start of MODEL 39 1 H1 MET 1 H MET 1 0.532 -1.027 0.042 2 HA MET 1 HA MET 1 1.560 -0.482 -1.914 3 HB2 MET 1 HB2 MET 1 0.919 2.153 -0.739 4 HB3 MET 1 HB3 MET 1 2.176 2.155 -1.969 5 HG2 MET 1 HG2 MET 1 0.490 2.342 -3.411 6 HG3 MET 1 HG3 MET 1 0.272 0.614 -3.144 7 HE1 MET 1 HE1 MET 1 -2.296 1.922 -4.241 8 HE2 MET 1 HE2 MET 1 -2.082 0.277 -3.641 9 HE3 MET 1 HE3 MET 1 -3.440 1.252 -3.078 10 H GLN 2 H GLN 2 3.040 1.797 0.423 11 HA GLN 2 HA GLN 2 5.601 0.321 0.081 12 HB2 GLN 2 HB2 GLN 2 5.195 3.298 -0.295 13 HB3 GLN 2 HB3 GLN 2 6.771 2.555 -0.057 14 HG2 GLN 2 HG2 GLN 2 6.362 1.177 -2.081 15 HG3 GLN 2 HG3 GLN 2 4.873 2.084 -2.342 16 HE21 GLN 2 HE21 GLN 2 4.978 4.198 -3.044 17 HE22 GLN 2 HE22 GLN 2 6.430 4.908 -3.654 18 H TYR 3 H TYR 3 6.382 -0.216 1.991 19 HA TYR 3 HA TYR 3 5.444 1.297 4.364 20 HB2 TYR 3 HB2 TYR 3 6.797 -1.381 3.995 21 HB3 TYR 3 HB3 TYR 3 6.615 -0.636 5.580 22 HD1 TYR 3 HD1 TYR 3 4.493 -1.379 2.586 23 HD2 TYR 3 HD2 TYR 3 4.805 -1.312 6.829 24 HE1 TYR 3 HE1 TYR 3 2.228 -2.321 2.761 25 HE2 TYR 3 HE2 TYR 3 2.541 -2.256 7.016 26 HH TYR 3 HH TYR 3 0.416 -2.259 5.476 27 H LYS 4 H LYS 4 6.806 2.210 5.891 28 HA LYS 4 HA LYS 4 9.578 2.701 4.879 29 HB2 LYS 4 HB2 LYS 4 8.163 4.710 5.011 30 HB3 LYS 4 HB3 LYS 4 7.855 4.395 6.713 31 HG2 LYS 4 HG2 LYS 4 9.543 6.143 6.356 32 HG3 LYS 4 HG3 LYS 4 10.177 4.757 7.247 33 HD2 LYS 4 HD2 LYS 4 11.447 4.021 5.448 34 HD3 LYS 4 HD3 LYS 4 10.470 4.902 4.271 35 HE2 LYS 4 HE2 LYS 4 12.218 6.235 6.330 36 HE3 LYS 4 HE3 LYS 4 12.753 5.855 4.694 37 HZ1 LYS 4 HZ1 LYS 4 10.880 7.220 3.872 38 HZ2 LYS 4 HZ2 LYS 4 12.017 8.108 4.754 39 HZ3 LYS 4 HZ3 LYS 4 10.543 7.680 5.465 40 H LEU 5 H LEU 5 11.058 1.535 5.891 41 HA LEU 5 HA LEU 5 10.605 0.925 8.779 42 HB2 LEU 5 HB2 LEU 5 10.816 -1.038 7.380 43 HB3 LEU 5 HB3 LEU 5 12.327 -0.436 6.701 44 HG LEU 5 HG LEU 5 13.057 -0.528 9.259 45 HD11 LEU 5 HD11 LEU 5 10.640 -2.219 9.058 46 HD12 LEU 5 HD12 LEU 5 11.316 -1.361 10.442 47 HD13 LEU 5 HD13 LEU 5 12.018 -2.894 9.927 48 HD21 LEU 5 HD21 LEU 5 13.398 -3.169 8.489 49 HD22 LEU 5 HD22 LEU 5 14.491 -1.825 8.156 50 HD23 LEU 5 HD23 LEU 5 13.271 -2.286 6.967 51 H VAL 6 H VAL 6 11.783 1.952 10.234 52 HA VAL 6 HA VAL 6 14.373 3.141 9.315 53 HB VAL 6 HB VAL 6 12.499 4.137 11.478 54 HG11 VAL 6 HG11 VAL 6 15.127 5.246 10.498 55 HG12 VAL 6 HG12 VAL 6 14.038 6.049 11.631 56 HG13 VAL 6 HG13 VAL 6 14.817 4.531 12.080 57 HG21 VAL 6 HG21 VAL 6 12.890 4.814 8.630 58 HG22 VAL 6 HG22 VAL 6 11.451 4.945 9.641 59 HG23 VAL 6 HG23 VAL 6 12.713 6.172 9.742 60 H ILE 7 H ILE 7 15.974 1.870 9.988 61 HA ILE 7 HA ILE 7 15.734 0.583 12.656 62 HB ILE 7 HB ILE 7 17.791 0.180 10.469 63 HG12 ILE 7 HG12 ILE 7 15.719 -1.814 11.337 64 HG13 ILE 7 HG13 ILE 7 15.321 -0.576 10.151 65 HG21 ILE 7 HG21 ILE 7 17.703 -1.993 12.266 66 HG22 ILE 7 HG22 ILE 7 19.024 -0.860 11.990 67 HG23 ILE 7 HG23 ILE 7 17.820 -0.523 13.233 68 HD11 ILE 7 HD11 ILE 7 17.677 -2.395 9.808 69 HD12 ILE 7 HD12 ILE 7 16.054 -2.844 9.280 70 HD13 ILE 7 HD13 ILE 7 16.844 -1.424 8.594 71 H ASN 8 H ASN 8 16.643 1.449 14.384 72 HA ASN 8 HA ASN 8 18.977 3.269 13.942 73 HB2 ASN 8 HB2 ASN 8 16.530 3.546 15.612 74 HB3 ASN 8 HB3 ASN 8 18.038 4.101 16.331 75 HD21 ASN 8 HD21 ASN 8 19.409 5.394 14.662 76 HD22 ASN 8 HD22 ASN 8 18.542 6.635 13.828 77 H GLY 9 H GLY 9 20.240 1.250 14.101 78 HA2 GLY 9 HA2 GLY 9 20.288 -0.049 16.727 79 HA3 GLY 9 HA3 GLY 9 21.316 -0.417 15.350 80 H LYS 10 H LYS 10 21.777 0.115 18.323 81 HA LYS 10 HA LYS 10 23.106 2.546 18.726 82 HB2 LYS 10 HB2 LYS 10 22.663 0.919 20.508 83 HB3 LYS 10 HB3 LYS 10 23.837 -0.191 19.812 84 HG2 LYS 10 HG2 LYS 10 25.031 2.385 20.283 85 HG3 LYS 10 HG3 LYS 10 24.286 1.755 21.755 86 HD2 LYS 10 HD2 LYS 10 25.522 -0.343 21.475 87 HD3 LYS 10 HD3 LYS 10 26.268 0.294 20.007 88 HE2 LYS 10 HE2 LYS 10 26.533 2.004 22.382 89 HE3 LYS 10 HE3 LYS 10 27.358 0.450 22.490 90 HZ1 LYS 10 HZ1 LYS 10 28.918 1.868 21.548 91 HZ2 LYS 10 HZ2 LYS 10 27.789 2.629 20.545 92 HZ3 LYS 10 HZ3 LYS 10 28.289 1.048 20.208 93 H THR 11 H THR 11 24.096 -0.251 16.882 94 HA THR 11 HA THR 11 26.753 1.052 16.441 95 HB THR 11 HB THR 11 27.547 -1.193 15.716 96 HG1 THR 11 HG1 THR 11 25.855 -2.423 15.202 97 HG21 THR 11 HG21 THR 11 27.179 -0.242 18.290 98 HG22 THR 11 HG22 THR 11 28.221 -1.584 17.814 99 HG23 THR 11 HG23 THR 11 26.575 -1.897 18.365 100 H LEU 12 H LEU 12 24.090 -0.751 14.885 101 HA LEU 12 HA LEU 12 25.049 0.309 12.262 102 HB2 LEU 12 HB2 LEU 12 24.932 -2.020 12.113 103 HB3 LEU 12 HB3 LEU 12 23.442 -2.103 13.051 104 HG LEU 12 HG LEU 12 22.142 -1.359 11.200 105 HD11 LEU 12 HD11 LEU 12 24.711 -0.360 10.244 106 HD12 LEU 12 HD12 LEU 12 23.074 0.204 9.906 107 HD13 LEU 12 HD13 LEU 12 23.747 -1.148 8.995 108 HD21 LEU 12 HD21 LEU 12 23.084 -3.754 11.271 109 HD22 LEU 12 HD22 LEU 12 24.101 -3.236 9.927 110 HD23 LEU 12 HD23 LEU 12 22.344 -3.187 9.774 111 H LYS 13 H LYS 13 23.983 1.935 11.384 112 HA LYS 13 HA LYS 13 21.086 2.218 12.065 113 HB2 LYS 13 HB2 LYS 13 23.273 4.071 12.545 114 HB3 LYS 13 HB3 LYS 13 22.049 4.792 11.508 115 HG2 LYS 13 HG2 LYS 13 20.406 4.656 13.130 116 HG3 LYS 13 HG3 LYS 13 21.254 3.392 14.026 117 HD2 LYS 13 HD2 LYS 13 22.247 6.227 13.758 118 HD3 LYS 13 HD3 LYS 13 21.287 5.642 15.119 119 HE2 LYS 13 HE2 LYS 13 23.505 3.879 14.612 120 HE3 LYS 13 HE3 LYS 13 24.070 5.537 14.818 121 HZ1 LYS 13 HZ1 LYS 13 22.317 4.071 16.716 122 HZ2 LYS 13 HZ2 LYS 13 22.891 5.649 16.916 123 HZ3 LYS 13 HZ3 LYS 13 23.973 4.349 16.925 124 H GLY 14 H GLY 14 19.837 2.086 10.334 125 HA2 GLY 14 HA2 GLY 14 20.657 3.448 7.862 126 HA3 GLY 14 HA3 GLY 14 20.548 1.698 7.745 127 H GLU 15 H GLU 15 18.941 2.297 6.061 128 HA GLU 15 HA GLU 15 16.273 2.188 7.292 129 HB2 GLU 15 HB2 GLU 15 17.075 4.674 6.791 130 HB3 GLU 15 HB3 GLU 15 16.585 4.257 5.155 131 HG2 GLU 15 HG2 GLU 15 14.352 3.875 5.816 132 HG3 GLU 15 HG3 GLU 15 14.779 3.900 7.526 133 H THR 16 H THR 16 14.549 1.877 5.608 134 HA THR 16 HA THR 16 15.204 1.179 2.928 135 HB THR 16 HB THR 16 16.468 -0.673 3.906 136 HG1 THR 16 HG1 THR 16 14.099 -1.842 2.900 137 HG21 THR 16 HG21 THR 16 14.073 -0.921 5.570 138 HG22 THR 16 HG22 THR 16 15.728 -1.443 5.882 139 HG23 THR 16 HG23 THR 16 14.650 -2.455 4.920 140 H THR 17 H THR 17 13.431 -0.127 1.868 141 HA THR 17 HA THR 17 10.879 0.029 3.388 142 HB THR 17 HB THR 17 9.759 1.057 1.403 143 HG1 THR 17 HG1 THR 17 11.488 2.289 0.092 144 HG21 THR 17 HG21 THR 17 11.176 2.287 3.439 145 HG22 THR 17 HG22 THR 17 9.983 3.053 2.390 146 HG23 THR 17 HG23 THR 17 11.698 3.142 1.989 147 H THR 18 H THR 18 9.079 -1.085 2.280 148 HA THR 18 HA THR 18 9.904 -3.021 0.207 149 HB THR 18 HB THR 18 10.411 -4.069 2.459 150 HG1 THR 18 HG1 THR 18 9.458 -6.050 1.812 151 HG21 THR 18 HG21 THR 18 8.732 -4.650 3.954 152 HG22 THR 18 HG22 THR 18 7.457 -4.463 2.750 153 HG23 THR 18 HG23 THR 18 8.234 -3.039 3.440 154 H LYS 19 H LYS 19 8.194 -3.930 -0.946 155 HA LYS 19 HA LYS 19 5.589 -2.557 -0.451 156 HB2 LYS 19 HB2 LYS 19 6.345 -1.992 -2.609 157 HB3 LYS 19 HB3 LYS 19 6.926 -3.619 -2.936 158 HG2 LYS 19 HG2 LYS 19 4.058 -3.497 -2.428 159 HG3 LYS 19 HG3 LYS 19 4.572 -2.552 -3.828 160 HD2 LYS 19 HD2 LYS 19 5.817 -5.192 -3.672 161 HD3 LYS 19 HD3 LYS 19 4.059 -5.247 -3.822 162 HE2 LYS 19 HE2 LYS 19 4.658 -3.362 -5.664 163 HE3 LYS 19 HE3 LYS 19 6.105 -4.366 -5.750 164 HZ1 LYS 19 HZ1 LYS 19 3.300 -5.150 -6.260 165 HZ2 LYS 19 HZ2 LYS 19 4.500 -6.301 -5.950 166 HZ3 LYS 19 HZ3 LYS 19 4.633 -5.281 -7.293 167 H ALA 20 H ALA 20 4.313 -3.808 0.757 168 HA ALA 20 HA ALA 20 3.894 -6.603 -0.213 169 HB1 ALA 20 HB1 ALA 20 4.474 -5.670 2.576 170 HB2 ALA 20 HB2 ALA 20 3.483 -7.105 2.308 171 HB3 ALA 20 HB3 ALA 20 5.134 -7.046 1.691 172 H VAL 21 H VAL 21 1.811 -7.475 0.130 173 HA VAL 21 HA VAL 21 -0.327 -5.744 -0.354 174 HB VAL 21 HB VAL 21 -1.776 -7.644 0.570 175 HG11 VAL 21 HG11 VAL 21 -1.208 -9.129 -1.319 176 HG12 VAL 21 HG12 VAL 21 -1.283 -7.429 -1.787 177 HG13 VAL 21 HG13 VAL 21 0.280 -8.215 -1.561 178 HG21 VAL 21 HG21 VAL 21 0.885 -9.051 0.747 179 HG22 VAL 21 HG22 VAL 21 -0.040 -8.490 2.140 180 HG23 VAL 21 HG23 VAL 21 -0.707 -9.733 1.082 181 H ASP 22 H ASP 22 1.023 -6.817 2.735 182 HA ASP 22 HA ASP 22 -0.416 -4.630 4.071 183 HB2 ASP 22 HB2 ASP 22 -1.160 -6.329 5.894 184 HB3 ASP 22 HB3 ASP 22 -2.126 -6.185 4.428 185 H ALA 23 H ALA 23 0.065 -5.006 6.637 186 HA ALA 23 HA ALA 23 2.943 -4.733 6.794 187 HB1 ALA 23 HB1 ALA 23 0.692 -4.094 8.406 188 HB2 ALA 23 HB2 ALA 23 1.804 -5.052 9.385 189 HB3 ALA 23 HB3 ALA 23 2.367 -3.577 8.599 190 H GLU 24 H GLU 24 0.593 -7.163 7.973 191 HA GLU 24 HA GLU 24 2.350 -8.828 9.369 192 HB2 GLU 24 HB2 GLU 24 0.740 -10.551 9.110 193 HB3 GLU 24 HB3 GLU 24 -0.168 -9.046 9.112 194 HG2 GLU 24 HG2 GLU 24 -0.171 -9.145 6.613 195 HG3 GLU 24 HG3 GLU 24 0.528 -10.759 6.742 196 H THR 25 H THR 25 1.959 -8.413 5.904 197 HA THR 25 HA THR 25 3.553 -10.789 5.268 198 HB THR 25 HB THR 25 2.459 -8.530 3.577 199 HG1 THR 25 HG1 THR 25 1.857 -11.273 3.315 200 HG21 THR 25 HG21 THR 25 3.177 -9.984 1.637 201 HG22 THR 25 HG22 THR 25 4.190 -10.865 2.780 202 HG23 THR 25 HG23 THR 25 4.478 -9.151 2.486 203 H ALA 26 H ALA 26 3.980 -7.237 5.125 204 HA ALA 26 HA ALA 26 6.633 -7.287 4.100 205 HB1 ALA 26 HB1 ALA 26 6.540 -5.023 5.659 206 HB2 ALA 26 HB2 ALA 26 5.986 -5.149 3.989 207 HB3 ALA 26 HB3 ALA 26 4.837 -5.329 5.316 208 H GLU 27 H GLU 27 5.358 -7.509 7.402 209 HA GLU 27 HA GLU 27 7.705 -7.084 8.864 210 HB2 GLU 27 HB2 GLU 27 5.423 -7.470 9.804 211 HB3 GLU 27 HB3 GLU 27 5.600 -9.183 9.452 212 HG2 GLU 27 HG2 GLU 27 7.787 -8.913 10.884 213 HG3 GLU 27 HG3 GLU 27 6.915 -7.528 11.537 214 H LYS 28 H LYS 28 6.565 -10.069 7.280 215 HA LYS 28 HA LYS 28 8.620 -11.776 8.246 216 HB2 LYS 28 HB2 LYS 28 6.715 -11.789 5.958 217 HB3 LYS 28 HB3 LYS 28 8.099 -12.868 5.840 218 HG2 LYS 28 HG2 LYS 28 6.353 -14.130 6.788 219 HG3 LYS 28 HG3 LYS 28 7.458 -13.751 8.111 220 HD2 LYS 28 HD2 LYS 28 5.606 -11.635 7.988 221 HD3 LYS 28 HD3 LYS 28 4.672 -13.126 7.839 222 HE2 LYS 28 HE2 LYS 28 6.740 -12.652 9.979 223 HE3 LYS 28 HE3 LYS 28 5.023 -12.311 10.188 224 HZ1 LYS 28 HZ1 LYS 28 4.957 -14.828 9.292 225 HZ2 LYS 28 HZ2 LYS 28 4.973 -14.411 10.931 226 HZ3 LYS 28 HZ3 LYS 28 6.411 -14.850 10.156 227 H ALA 29 H ALA 29 8.466 -9.658 5.385 228 HA ALA 29 HA ALA 29 11.049 -10.510 4.381 229 HB1 ALA 29 HB1 ALA 29 9.020 -9.328 3.187 230 HB2 ALA 29 HB2 ALA 29 9.874 -7.860 3.665 231 HB3 ALA 29 HB3 ALA 29 10.677 -9.056 2.647 232 H PHE 30 H PHE 30 9.879 -7.963 6.527 233 HA PHE 30 HA PHE 30 12.349 -6.462 6.523 234 HB2 PHE 30 HB2 PHE 30 9.849 -6.494 8.172 235 HB3 PHE 30 HB3 PHE 30 11.265 -5.665 8.811 236 HD1 PHE 30 HD2 PHE 30 12.466 -4.401 6.539 237 HD2 PHE 30 HD1 PHE 30 8.340 -4.928 7.442 238 HE1 PHE 30 HE2 PHE 30 11.919 -2.423 5.181 239 HE2 PHE 30 HE1 PHE 30 7.786 -2.952 6.085 240 HZ PHE 30 HZ PHE 30 9.577 -1.696 4.953 241 H LYS 31 H LYS 31 10.917 -8.902 8.704 242 HA LYS 31 HA LYS 31 12.844 -8.872 10.731 243 HB2 LYS 31 HB2 LYS 31 11.117 -11.032 9.558 244 HB3 LYS 31 HB3 LYS 31 12.301 -11.443 10.792 245 HG2 LYS 31 HG2 LYS 31 10.211 -9.311 11.149 246 HG3 LYS 31 HG3 LYS 31 9.984 -10.995 11.628 247 HD2 LYS 31 HD2 LYS 31 11.587 -10.866 13.302 248 HD3 LYS 31 HD3 LYS 31 12.376 -9.464 12.576 249 HE2 LYS 31 HE2 LYS 31 11.176 -8.798 14.570 250 HE3 LYS 31 HE3 LYS 31 10.415 -8.092 13.145 251 HZ1 LYS 31 HZ1 LYS 31 9.167 -10.520 13.552 252 HZ2 LYS 31 HZ2 LYS 31 8.525 -8.982 13.840 253 HZ3 LYS 31 HZ3 LYS 31 9.296 -9.823 15.089 254 H GLN 32 H GLN 32 12.905 -10.648 7.630 255 HA GLN 32 HA GLN 32 15.265 -12.113 8.044 256 HB2 GLN 32 HB2 GLN 32 13.796 -12.407 6.101 257 HB3 GLN 32 HB3 GLN 32 14.274 -10.833 5.480 258 HG2 GLN 32 HG2 GLN 32 15.991 -11.739 4.431 259 HG3 GLN 32 HG3 GLN 32 16.620 -12.368 5.953 260 HE21 GLN 32 HE21 GLN 32 17.365 -14.250 4.997 261 HE22 GLN 32 HE22 GLN 32 16.301 -15.505 4.471 262 H TYR 33 H TYR 33 14.828 -8.734 7.060 263 HA TYR 33 HA TYR 33 17.570 -8.255 6.384 264 HB2 TYR 33 HB2 TYR 33 15.463 -6.824 5.905 265 HB3 TYR 33 HB3 TYR 33 15.724 -6.151 7.510 266 HD1 TYR 33 HD2 TYR 33 17.734 -6.891 4.439 267 HD2 TYR 33 HD1 TYR 33 16.904 -4.178 7.610 268 HE1 TYR 33 HE2 TYR 33 19.365 -5.307 3.503 269 HE2 TYR 33 HE1 TYR 33 18.532 -2.585 6.681 270 HH TYR 33 HH TYR 33 19.536 -2.108 4.386 271 H ALA 34 H ALA 34 15.709 -7.423 9.343 272 HA ALA 34 HA ALA 34 17.830 -6.378 10.842 273 HB1 ALA 34 HB1 ALA 34 16.221 -7.840 12.641 274 HB2 ALA 34 HB2 ALA 34 16.121 -6.125 12.237 275 HB3 ALA 34 HB3 ALA 34 15.161 -7.300 11.338 276 H ASN 35 H ASN 35 16.925 -9.757 10.270 277 HA ASN 35 HA ASN 35 18.663 -10.890 12.243 278 HB2 ASN 35 HB2 ASN 35 17.267 -11.896 9.788 279 HB3 ASN 35 HB3 ASN 35 18.510 -12.903 10.526 280 HD21 ASN 35 HD21 ASN 35 16.874 -14.436 10.987 281 HD22 ASN 35 HD22 ASN 35 15.813 -14.218 12.332 282 H ASP 36 H ASP 36 19.060 -10.635 8.680 283 HA ASP 36 HA ASP 36 21.726 -11.565 8.605 284 HB2 ASP 36 HB2 ASP 36 20.626 -9.435 6.760 285 HB3 ASP 36 HB3 ASP 36 21.823 -10.677 6.399 286 H ASN 37 H ASN 37 20.413 -8.477 9.566 287 HA ASN 37 HA ASN 37 23.083 -7.205 9.463 288 HB2 ASN 37 HB2 ASN 37 20.311 -6.203 10.144 289 HB3 ASN 37 HB3 ASN 37 21.753 -5.224 10.400 290 HD21 ASN 37 HD21 ASN 37 19.332 -5.957 8.280 291 HD22 ASN 37 HD22 ASN 37 20.047 -5.367 6.822 292 H GLY 38 H GLY 38 21.206 -9.061 11.597 293 HA2 GLY 38 HA2 GLY 38 21.645 -9.680 13.788 294 HA3 GLY 38 HA3 GLY 38 23.154 -8.782 13.700 295 H VAL 39 H VAL 39 20.144 -7.184 12.984 296 HA VAL 39 HA VAL 39 20.420 -5.722 15.580 297 HB VAL 39 HB VAL 39 19.230 -4.787 12.955 298 HG11 VAL 39 HG11 VAL 39 19.105 -2.577 14.139 299 HG12 VAL 39 HG12 VAL 39 17.967 -3.798 14.715 300 HG13 VAL 39 HG13 VAL 39 19.425 -3.441 15.643 301 HG21 VAL 39 HG21 VAL 39 21.192 -3.038 13.531 302 HG22 VAL 39 HG22 VAL 39 21.872 -4.503 14.240 303 HG23 VAL 39 HG23 VAL 39 21.429 -4.473 12.534 304 H ASP 40 H ASP 40 18.994 -6.377 17.037 305 HA ASP 40 HA ASP 40 16.160 -6.620 16.166 306 HB2 ASP 40 HB2 ASP 40 17.260 -8.906 16.277 307 HB3 ASP 40 HB3 ASP 40 17.457 -8.644 18.008 308 H GLY 41 H GLY 41 14.611 -6.449 17.918 309 HA2 GLY 41 HA2 GLY 41 15.185 -5.965 20.596 310 HA3 GLY 41 HA3 GLY 41 15.439 -4.416 19.805 311 H VAL 42 H VAL 42 13.774 -3.121 20.150 312 HA VAL 42 HA VAL 42 11.067 -4.338 20.316 313 HB VAL 42 HB VAL 42 12.019 -1.543 20.997 314 HG11 VAL 42 HG11 VAL 42 9.387 -2.579 20.519 315 HG12 VAL 42 HG12 VAL 42 9.547 -2.086 22.206 316 HG13 VAL 42 HG13 VAL 42 9.885 -0.934 20.913 317 HG21 VAL 42 HG21 VAL 42 12.669 -3.620 22.429 318 HG22 VAL 42 HG22 VAL 42 12.065 -2.164 23.221 319 HG23 VAL 42 HG23 VAL 42 10.991 -3.540 22.967 320 H TRP 43 H TRP 43 9.598 -4.150 18.762 321 HA TRP 43 HA TRP 43 10.247 -2.299 16.509 322 HB2 TRP 43 HB2 TRP 43 8.484 -4.770 16.546 323 HB3 TRP 43 HB3 TRP 43 8.814 -3.765 15.137 324 HD1 TRP 43 HD1 TRP 43 10.988 -5.709 17.718 325 HE1 TRP 43 HE1 TRP 43 12.890 -6.863 16.425 326 HE3 TRP 43 HE3 TRP 43 9.877 -4.070 13.004 327 HZ2 TRP 43 HZ2 TRP 43 13.801 -7.053 13.760 328 HZ3 TRP 43 HZ3 TRP 43 11.314 -4.783 11.139 329 HH2 TRP 43 HH2 TRP 43 13.235 -6.244 11.511 330 H THR 44 H THR 44 8.601 -1.056 15.536 331 HA THR 44 HA THR 44 6.088 -0.829 17.124 332 HB THR 44 HB THR 44 6.570 1.782 16.404 333 HG1 THR 44 HG1 THR 44 8.811 1.941 17.464 334 HG21 THR 44 HG21 THR 44 5.679 1.020 18.544 335 HG22 THR 44 HG22 THR 44 7.010 2.150 18.796 336 HG23 THR 44 HG23 THR 44 7.270 0.419 19.007 337 H TYR 45 H TYR 45 4.435 -1.135 15.808 338 HA TYR 45 HA TYR 45 4.757 -0.290 12.960 339 HB2 TYR 45 HB2 TYR 45 4.314 -2.604 12.992 340 HB3 TYR 45 HB3 TYR 45 3.126 -2.457 14.282 341 HD1 TYR 45 HD2 TYR 45 3.403 -0.525 11.110 342 HD2 TYR 45 HD1 TYR 45 1.169 -3.346 13.380 343 HE1 TYR 45 HE2 TYR 45 1.603 -0.438 9.436 344 HE2 TYR 45 HE1 TYR 45 -0.636 -3.268 11.711 345 HH TYR 45 HH TYR 45 -0.725 -2.664 9.124 346 H ASP 46 H ASP 46 3.629 1.375 12.238 347 HA ASP 46 HA ASP 46 1.165 2.134 13.757 348 HB2 ASP 46 HB2 ASP 46 3.252 3.640 14.029 349 HB3 ASP 46 HB3 ASP 46 2.939 4.143 12.370 350 H ASP 47 H ASP 47 -0.183 1.040 12.318 351 HA ASP 47 HA ASP 47 -0.104 1.079 9.537 352 HB2 ASP 47 HB2 ASP 47 -2.328 0.368 9.582 353 HB3 ASP 47 HB3 ASP 47 -1.760 -0.071 11.190 354 H ALA 48 H ALA 48 -1.128 3.624 11.743 355 HA ALA 48 HA ALA 48 -2.596 5.276 10.037 356 HB1 ALA 48 HB1 ALA 48 -2.541 6.124 12.146 357 HB2 ALA 48 HB2 ALA 48 -0.837 5.733 12.388 358 HB3 ALA 48 HB3 ALA 48 -1.291 7.141 11.427 359 H THR 49 H THR 49 0.865 4.656 10.094 360 HA THR 49 HA THR 49 1.096 6.208 7.573 361 HB THR 49 HB THR 49 3.235 6.521 9.672 362 HG1 THR 49 HG1 THR 49 1.132 7.295 10.455 363 HG21 THR 49 HG21 THR 49 2.583 7.653 7.026 364 HG22 THR 49 HG22 THR 49 4.149 7.398 7.797 365 HG23 THR 49 HG23 THR 49 3.173 8.803 8.226 366 H LYS 50 H LYS 50 1.038 3.345 8.359 367 HA LYS 50 HA LYS 50 2.406 1.438 8.248 368 HB2 LYS 50 HB2 LYS 50 2.375 2.920 5.668 369 HB3 LYS 50 HB3 LYS 50 3.502 1.575 5.788 370 HG2 LYS 50 HG2 LYS 50 1.852 0.175 5.346 371 HG3 LYS 50 HG3 LYS 50 1.035 0.682 6.827 372 HD2 LYS 50 HD2 LYS 50 0.811 2.198 4.236 373 HD3 LYS 50 HD3 LYS 50 -0.296 0.897 4.682 374 HE2 LYS 50 HE2 LYS 50 -1.026 2.098 6.619 375 HE3 LYS 50 HE3 LYS 50 0.220 3.325 6.392 376 HZ1 LYS 50 HZ1 LYS 50 -1.249 4.459 5.209 377 HZ2 LYS 50 HZ2 LYS 50 -2.376 3.199 5.274 378 HZ3 LYS 50 HZ3 LYS 50 -1.223 3.240 4.036 379 H THR 51 H THR 51 3.800 3.024 9.880 380 HA THR 51 HA THR 51 6.564 3.072 8.742 381 HB THR 51 HB THR 51 5.366 4.556 11.095 382 HG1 THR 51 HG1 THR 51 6.351 5.302 8.538 383 HG21 THR 51 HG21 THR 51 7.597 3.897 11.725 384 HG22 THR 51 HG22 THR 51 7.615 5.608 11.298 385 HG23 THR 51 HG23 THR 51 8.233 4.409 10.163 386 H PHE 52 H PHE 52 8.108 1.778 9.522 387 HA PHE 52 HA PHE 52 7.440 0.234 11.998 388 HB2 PHE 52 HB2 PHE 52 8.602 -0.649 9.372 389 HB3 PHE 52 HB3 PHE 52 9.045 -1.504 10.846 390 HD1 PHE 52 HD2 PHE 52 6.156 -0.470 8.772 391 HD2 PHE 52 HD1 PHE 52 7.618 -3.099 11.784 392 HE1 PHE 52 HE2 PHE 52 4.084 -1.788 8.623 393 HE2 PHE 52 HE1 PHE 52 5.548 -4.421 11.639 394 HZ PHE 52 HZ PHE 52 3.777 -3.765 10.058 395 H THR 53 H THR 53 8.853 0.319 13.616 396 HA THR 53 HA THR 53 11.504 1.569 13.020 397 HB THR 53 HB THR 53 10.591 1.447 15.834 398 HG1 THR 53 HG1 THR 53 9.444 3.474 14.258 399 HG21 THR 53 HG21 THR 53 11.844 3.524 14.043 400 HG22 THR 53 HG22 THR 53 12.614 2.607 15.339 401 HG23 THR 53 HG23 THR 53 11.402 3.830 15.722 402 H VAL 54 H VAL 54 13.373 0.796 14.097 403 HA VAL 54 HA VAL 54 13.079 -1.869 15.391 404 HB VAL 54 HB VAL 54 14.966 -1.254 13.102 405 HG11 VAL 54 HG11 VAL 54 16.273 -2.577 14.475 406 HG12 VAL 54 HG12 VAL 54 14.891 -3.483 15.094 407 HG13 VAL 54 HG13 VAL 54 15.478 -3.776 13.456 408 HG21 VAL 54 HG21 VAL 54 12.430 -2.754 13.364 409 HG22 VAL 54 HG22 VAL 54 13.089 -1.872 11.987 410 HG23 VAL 54 HG23 VAL 54 13.689 -3.486 12.369 411 H THR 55 H THR 55 14.116 -1.913 17.256 412 HA THR 55 HA THR 55 16.405 -0.017 17.603 413 HB THR 55 HB THR 55 15.173 -1.135 20.040 414 HG1 THR 55 HG1 THR 55 13.735 0.824 18.559 415 HG21 THR 55 HG21 THR 55 15.898 0.805 20.949 416 HG22 THR 55 HG22 THR 55 15.354 1.771 19.577 417 HG23 THR 55 HG23 THR 55 16.879 0.890 19.487 418 H GLU 56 H GLU 56 17.739 -0.830 19.677 419 HA GLU 56 HA GLU 56 18.515 -3.633 18.988 420 HB2 GLU 56 HB2 GLU 56 20.044 -1.182 19.654 421 HB3 GLU 56 HB3 GLU 56 20.641 -2.669 20.377 422 HG2 GLU 56 HG2 GLU 56 20.108 -2.337 17.437 423 HG3 GLU 56 HG3 GLU 56 21.678 -2.065 18.192 Start of MODEL 40 1 H1 MET 1 H MET 1 0.577 1.463 0.083 2 HA MET 1 HA MET 1 0.824 -1.386 -0.453 3 HB2 MET 1 HB2 MET 1 0.536 0.979 -2.038 4 HB3 MET 1 HB3 MET 1 2.007 0.148 -2.525 5 HG2 MET 1 HG2 MET 1 0.487 -1.958 -2.561 6 HG3 MET 1 HG3 MET 1 -0.822 -0.783 -2.652 7 HE1 MET 1 HE1 MET 1 0.153 1.553 -4.367 8 HE2 MET 1 HE2 MET 1 -0.226 1.018 -6.004 9 HE3 MET 1 HE3 MET 1 -1.358 0.701 -4.688 10 H GLN 2 H GLN 2 2.852 1.476 0.049 11 HA GLN 2 HA GLN 2 5.227 -0.340 0.079 12 HB2 GLN 2 HB2 GLN 2 6.482 1.906 -0.155 13 HB3 GLN 2 HB3 GLN 2 5.653 1.265 -1.568 14 HG2 GLN 2 HG2 GLN 2 3.782 2.771 -1.167 15 HG3 GLN 2 HG3 GLN 2 4.592 3.404 0.266 16 HE21 GLN 2 HE21 GLN 2 5.801 2.626 -2.971 17 HE22 GLN 2 HE22 GLN 2 6.409 4.206 -3.313 18 H TYR 3 H TYR 3 6.278 -0.661 1.923 19 HA TYR 3 HA TYR 3 5.473 1.037 4.242 20 HB2 TYR 3 HB2 TYR 3 6.688 -1.741 4.134 21 HB3 TYR 3 HB3 TYR 3 6.348 -0.856 5.617 22 HD1 TYR 3 HD1 TYR 3 3.936 -0.226 6.111 23 HD2 TYR 3 HD2 TYR 3 5.016 -3.009 3.079 24 HE1 TYR 3 HE1 TYR 3 1.644 -1.118 6.121 25 HE2 TYR 3 HE2 TYR 3 2.726 -3.908 3.080 26 HH TYR 3 HH TYR 3 0.282 -2.716 3.854 27 H LYS 4 H LYS 4 7.106 1.550 5.858 28 HA LYS 4 HA LYS 4 9.851 1.709 4.690 29 HB2 LYS 4 HB2 LYS 4 9.255 3.912 4.404 30 HB3 LYS 4 HB3 LYS 4 8.104 3.893 5.733 31 HG2 LYS 4 HG2 LYS 4 9.805 4.145 7.344 32 HG3 LYS 4 HG3 LYS 4 11.073 3.782 6.171 33 HD2 LYS 4 HD2 LYS 4 9.254 6.154 5.862 34 HD3 LYS 4 HD3 LYS 4 10.732 6.231 6.823 35 HE2 LYS 4 HE2 LYS 4 11.785 6.733 4.922 36 HE3 LYS 4 HE3 LYS 4 11.549 5.046 4.466 37 HZ1 LYS 4 HZ1 LYS 4 10.771 6.562 2.748 38 HZ2 LYS 4 HZ2 LYS 4 9.689 7.275 3.835 39 HZ3 LYS 4 HZ3 LYS 4 9.487 5.659 3.378 40 H LEU 5 H LEU 5 11.557 1.501 6.101 41 HA LEU 5 HA LEU 5 10.825 1.019 8.956 42 HB2 LEU 5 HB2 LEU 5 11.078 -1.147 7.992 43 HB3 LEU 5 HB3 LEU 5 12.556 -0.674 7.156 44 HG LEU 5 HG LEU 5 13.733 -0.548 9.293 45 HD11 LEU 5 HD11 LEU 5 11.070 -0.570 10.343 46 HD12 LEU 5 HD12 LEU 5 12.594 -0.250 11.170 47 HD13 LEU 5 HD13 LEU 5 11.996 -1.903 11.032 48 HD21 LEU 5 HD21 LEU 5 12.260 -3.164 9.016 49 HD22 LEU 5 HD22 LEU 5 13.844 -2.905 9.747 50 HD23 LEU 5 HD23 LEU 5 13.624 -2.672 8.012 51 H VAL 6 H VAL 6 12.383 1.534 10.498 52 HA VAL 6 HA VAL 6 14.736 3.036 9.416 53 HB VAL 6 HB VAL 6 13.061 3.751 11.838 54 HG11 VAL 6 HG11 VAL 6 14.655 5.884 11.419 55 HG12 VAL 6 HG12 VAL 6 15.037 4.579 12.545 56 HG13 VAL 6 HG13 VAL 6 15.737 4.582 10.925 57 HG21 VAL 6 HG21 VAL 6 12.940 4.518 9.042 58 HG22 VAL 6 HG22 VAL 6 11.784 4.807 10.342 59 HG23 VAL 6 HG23 VAL 6 13.141 5.908 10.108 60 H ILE 7 H ILE 7 16.436 1.762 9.797 61 HA ILE 7 HA ILE 7 16.530 0.130 12.245 62 HB ILE 7 HB ILE 7 18.544 0.465 10.008 63 HG12 ILE 7 HG12 ILE 7 17.013 -2.045 10.491 64 HG13 ILE 7 HG13 ILE 7 16.159 -0.698 9.745 65 HG21 ILE 7 HG21 ILE 7 19.950 -0.379 11.545 66 HG22 ILE 7 HG22 ILE 7 18.641 -0.943 12.582 67 HG23 ILE 7 HG23 ILE 7 19.134 -1.901 11.186 68 HD11 ILE 7 HD11 ILE 7 18.426 -2.318 8.699 69 HD12 ILE 7 HD12 ILE 7 16.920 -1.843 7.914 70 HD13 ILE 7 HD13 ILE 7 18.207 -0.660 8.139 71 H ASN 8 H ASN 8 17.039 1.098 14.093 72 HA ASN 8 HA ASN 8 19.262 3.099 14.015 73 HB2 ASN 8 HB2 ASN 8 16.683 3.008 15.502 74 HB3 ASN 8 HB3 ASN 8 18.079 3.634 16.375 75 HD21 ASN 8 HD21 ASN 8 19.450 5.121 14.794 76 HD22 ASN 8 HD22 ASN 8 18.518 6.370 14.048 77 H GLY 9 H GLY 9 20.490 0.936 14.044 78 HA2 GLY 9 HA2 GLY 9 20.545 -0.365 16.674 79 HA3 GLY 9 HA3 GLY 9 21.535 -0.767 15.279 80 H LYS 10 H LYS 10 22.114 -0.283 18.216 81 HA LYS 10 HA LYS 10 23.485 2.120 18.628 82 HB2 LYS 10 HB2 LYS 10 23.110 0.466 20.388 83 HB3 LYS 10 HB3 LYS 10 24.215 -0.657 19.606 84 HG2 LYS 10 HG2 LYS 10 26.066 0.883 19.992 85 HG3 LYS 10 HG3 LYS 10 24.960 2.021 20.764 86 HD2 LYS 10 HD2 LYS 10 24.609 0.610 22.600 87 HD3 LYS 10 HD3 LYS 10 25.239 -0.801 21.748 88 HE2 LYS 10 HE2 LYS 10 27.365 -0.323 22.289 89 HE3 LYS 10 HE3 LYS 10 27.151 1.402 21.999 90 HZ1 LYS 10 HZ1 LYS 10 27.641 0.765 24.350 91 HZ2 LYS 10 HZ2 LYS 10 26.121 0.026 24.415 92 HZ3 LYS 10 HZ3 LYS 10 26.241 1.692 24.147 93 H THR 11 H THR 11 24.370 -0.628 16.661 94 HA THR 11 HA THR 11 27.010 0.683 16.131 95 HB THR 11 HB THR 11 27.786 -1.549 15.355 96 HG1 THR 11 HG1 THR 11 26.449 -3.204 15.291 97 HG21 THR 11 HG21 THR 11 27.045 -2.421 17.970 98 HG22 THR 11 HG22 THR 11 27.345 -0.683 18.014 99 HG23 THR 11 HG23 THR 11 28.591 -1.779 17.417 100 H LEU 12 H LEU 12 24.299 -1.135 14.673 101 HA LEU 12 HA LEU 12 25.150 -0.082 12.014 102 HB2 LEU 12 HB2 LEU 12 24.938 -2.398 11.866 103 HB3 LEU 12 HB3 LEU 12 23.508 -2.435 12.896 104 HG LEU 12 HG LEU 12 22.124 -1.627 11.124 105 HD11 LEU 12 HD11 LEU 12 23.668 -1.554 8.834 106 HD12 LEU 12 HD12 LEU 12 24.651 -0.716 10.034 107 HD13 LEU 12 HD13 LEU 12 23.009 -0.166 9.699 108 HD21 LEU 12 HD21 LEU 12 22.054 -3.534 9.881 109 HD22 LEU 12 HD22 LEU 12 23.137 -4.077 11.164 110 HD23 LEU 12 HD23 LEU 12 23.797 -3.558 9.612 111 H LYS 13 H LYS 13 24.148 1.650 11.278 112 HA LYS 13 HA LYS 13 21.270 1.999 12.014 113 HB2 LYS 13 HB2 LYS 13 23.501 3.721 12.602 114 HB3 LYS 13 HB3 LYS 13 22.406 4.547 11.501 115 HG2 LYS 13 HG2 LYS 13 20.615 4.417 13.007 116 HG3 LYS 13 HG3 LYS 13 21.424 3.197 13.993 117 HD2 LYS 13 HD2 LYS 13 23.170 5.364 13.977 118 HD3 LYS 13 HD3 LYS 13 21.567 6.085 14.138 119 HE2 LYS 13 HE2 LYS 13 21.264 4.165 15.920 120 HE3 LYS 13 HE3 LYS 13 23.024 4.243 15.970 121 HZ1 LYS 13 HZ1 LYS 13 22.206 6.853 16.080 122 HZ2 LYS 13 HZ2 LYS 13 22.766 5.923 17.377 123 HZ3 LYS 13 HZ3 LYS 13 21.106 6.040 17.075 124 H GLY 14 H GLY 14 19.912 2.278 10.364 125 HA2 GLY 14 HA2 GLY 14 20.680 3.644 7.942 126 HA3 GLY 14 HA3 GLY 14 20.671 1.903 7.701 127 H GLU 15 H GLU 15 19.016 2.816 6.070 128 HA GLU 15 HA GLU 15 16.365 2.394 7.333 129 HB2 GLU 15 HB2 GLU 15 17.136 4.941 6.837 130 HB3 GLU 15 HB3 GLU 15 16.455 4.527 5.270 131 HG2 GLU 15 HG2 GLU 15 14.349 3.924 6.326 132 HG3 GLU 15 HG3 GLU 15 15.028 4.297 7.909 133 H THR 16 H THR 16 14.634 2.067 5.670 134 HA THR 16 HA THR 16 15.330 1.490 2.952 135 HB THR 16 HB THR 16 16.553 -0.399 4.029 136 HG1 THR 16 HG1 THR 16 15.822 -1.849 2.527 137 HG21 THR 16 HG21 THR 16 13.792 -1.297 4.866 138 HG22 THR 16 HG22 THR 16 15.070 -0.746 5.949 139 HG23 THR 16 HG23 THR 16 15.277 -2.234 5.026 140 H THR 17 H THR 17 13.569 0.020 1.915 141 HA THR 17 HA THR 17 10.981 0.413 3.345 142 HB THR 17 HB THR 17 9.994 1.054 1.072 143 HG1 THR 17 HG1 THR 17 11.460 0.893 -0.467 144 HG21 THR 17 HG21 THR 17 9.898 2.943 2.275 145 HG22 THR 17 HG22 THR 17 11.346 3.434 1.397 146 HG23 THR 17 HG23 THR 17 11.490 2.673 2.981 147 H THR 18 H THR 18 9.217 -0.883 2.513 148 HA THR 18 HA THR 18 9.980 -3.091 0.703 149 HB THR 18 HB THR 18 8.844 -3.743 3.430 150 HG1 THR 18 HG1 THR 18 11.503 -4.340 2.739 151 HG21 THR 18 HG21 THR 18 10.319 -5.611 1.615 152 HG22 THR 18 HG22 THR 18 8.619 -5.253 1.316 153 HG23 THR 18 HG23 THR 18 9.112 -5.970 2.849 154 H LYS 19 H LYS 19 8.344 -3.672 -0.575 155 HA LYS 19 HA LYS 19 5.666 -2.551 0.093 156 HB2 LYS 19 HB2 LYS 19 6.283 -1.803 -2.035 157 HB3 LYS 19 HB3 LYS 19 7.035 -3.332 -2.469 158 HG2 LYS 19 HG2 LYS 19 4.145 -3.457 -1.943 159 HG3 LYS 19 HG3 LYS 19 4.625 -2.516 -3.357 160 HD2 LYS 19 HD2 LYS 19 6.074 -5.020 -3.186 161 HD3 LYS 19 HD3 LYS 19 4.327 -5.274 -3.219 162 HE2 LYS 19 HE2 LYS 19 4.204 -3.818 -5.222 163 HE3 LYS 19 HE3 LYS 19 5.963 -3.704 -5.209 164 HZ1 LYS 19 HZ1 LYS 19 6.185 -5.758 -6.048 165 HZ2 LYS 19 HZ2 LYS 19 4.595 -5.540 -6.580 166 HZ3 LYS 19 HZ3 LYS 19 4.898 -6.397 -5.154 167 H ALA 20 H ALA 20 4.229 -3.865 0.970 168 HA ALA 20 HA ALA 20 4.147 -6.681 -0.011 169 HB1 ALA 20 HB1 ALA 20 5.167 -7.144 1.983 170 HB2 ALA 20 HB2 ALA 20 4.481 -5.737 2.798 171 HB3 ALA 20 HB3 ALA 20 3.481 -7.159 2.503 172 H VAL 21 H VAL 21 2.114 -7.683 0.050 173 HA VAL 21 HA VAL 21 -0.087 -5.971 -0.475 174 HB VAL 21 HB VAL 21 -0.289 -8.846 0.444 175 HG11 VAL 21 HG11 VAL 21 -2.022 -7.164 -1.363 176 HG12 VAL 21 HG12 VAL 21 -2.271 -8.873 -1.002 177 HG13 VAL 21 HG13 VAL 21 -2.411 -7.671 0.281 178 HG21 VAL 21 HG21 VAL 21 -0.193 -9.322 -2.054 179 HG22 VAL 21 HG22 VAL 21 0.488 -7.704 -2.227 180 HG23 VAL 21 HG23 VAL 21 1.331 -8.917 -1.263 181 H ASP 22 H ASP 22 1.216 -7.183 2.504 182 HA ASP 22 HA ASP 22 -0.828 -5.655 3.976 183 HB2 ASP 22 HB2 ASP 22 -1.752 -7.977 3.751 184 HB3 ASP 22 HB3 ASP 22 -0.344 -8.577 4.623 185 H ALA 23 H ALA 23 -0.312 -5.549 6.340 186 HA ALA 23 HA ALA 23 2.473 -4.873 6.639 187 HB1 ALA 23 HB1 ALA 23 0.829 -3.628 7.851 188 HB2 ALA 23 HB2 ALA 23 0.220 -5.084 8.639 189 HB3 ALA 23 HB3 ALA 23 1.831 -4.481 9.026 190 H GLU 24 H GLU 24 0.462 -7.618 7.652 191 HA GLU 24 HA GLU 24 2.474 -8.814 9.327 192 HB2 GLU 24 HB2 GLU 24 1.034 -10.687 9.442 193 HB3 GLU 24 HB3 GLU 24 -0.028 -9.293 9.307 194 HG2 GLU 24 HG2 GLU 24 -0.089 -9.777 6.813 195 HG3 GLU 24 HG3 GLU 24 0.645 -11.329 7.213 196 H THR 25 H THR 25 1.739 -8.936 5.887 197 HA THR 25 HA THR 25 3.468 -11.220 5.373 198 HB THR 25 HB THR 25 2.247 -9.163 3.512 199 HG1 THR 25 HG1 THR 25 1.480 -11.660 4.517 200 HG21 THR 25 HG21 THR 25 4.138 -11.393 3.025 201 HG22 THR 25 HG22 THR 25 3.914 -9.884 2.140 202 HG23 THR 25 HG23 THR 25 2.794 -11.224 1.897 203 H ALA 26 H ALA 26 3.873 -7.781 5.684 204 HA ALA 26 HA ALA 26 6.401 -7.713 4.213 205 HB1 ALA 26 HB1 ALA 26 6.140 -5.459 5.925 206 HB2 ALA 26 HB2 ALA 26 5.922 -5.546 4.176 207 HB3 ALA 26 HB3 ALA 26 4.549 -5.813 5.250 208 H GLU 27 H GLU 27 5.330 -7.933 7.585 209 HA GLU 27 HA GLU 27 7.722 -7.390 8.918 210 HB2 GLU 27 HB2 GLU 27 5.393 -9.182 9.466 211 HB3 GLU 27 HB3 GLU 27 6.815 -9.339 10.487 212 HG2 GLU 27 HG2 GLU 27 6.349 -6.605 10.349 213 HG3 GLU 27 HG3 GLU 27 4.749 -7.329 10.499 214 H LYS 28 H LYS 28 6.663 -10.456 7.428 215 HA LYS 28 HA LYS 28 8.793 -12.084 8.274 216 HB2 LYS 28 HB2 LYS 28 6.793 -12.114 6.136 217 HB3 LYS 28 HB3 LYS 28 8.284 -12.927 5.680 218 HG2 LYS 28 HG2 LYS 28 7.676 -14.712 6.833 219 HG3 LYS 28 HG3 LYS 28 7.595 -13.749 8.310 220 HD2 LYS 28 HD2 LYS 28 5.282 -13.002 7.353 221 HD3 LYS 28 HD3 LYS 28 5.420 -14.478 6.394 222 HE2 LYS 28 HE2 LYS 28 5.634 -14.342 9.400 223 HE3 LYS 28 HE3 LYS 28 4.180 -14.798 8.514 224 HZ1 LYS 28 HZ1 LYS 28 6.009 -16.448 7.456 225 HZ2 LYS 28 HZ2 LYS 28 4.992 -16.856 8.744 226 HZ3 LYS 28 HZ3 LYS 28 6.571 -16.330 9.048 227 H ALA 29 H ALA 29 8.637 -9.711 5.654 228 HA ALA 29 HA ALA 29 11.293 -10.462 4.654 229 HB1 ALA 29 HB1 ALA 29 9.577 -8.072 3.953 230 HB2 ALA 29 HB2 ALA 29 10.974 -8.673 3.057 231 HB3 ALA 29 HB3 ALA 29 9.504 -9.643 3.154 232 H PHE 30 H PHE 30 9.822 -7.639 6.307 233 HA PHE 30 HA PHE 30 12.156 -6.086 6.531 234 HB2 PHE 30 HB2 PHE 30 9.586 -6.285 8.017 235 HB3 PHE 30 HB3 PHE 30 10.898 -5.432 8.824 236 HD1 PHE 30 HD1 PHE 30 12.247 -3.978 6.789 237 HD2 PHE 30 HD2 PHE 30 8.084 -4.779 7.165 238 HE1 PHE 30 HE1 PHE 30 11.744 -1.959 5.475 239 HE2 PHE 30 HE2 PHE 30 7.574 -2.763 5.851 240 HZ PHE 30 HZ PHE 30 9.405 -1.350 5.003 241 H LYS 31 H LYS 31 10.913 -8.644 8.682 242 HA LYS 31 HA LYS 31 12.896 -8.354 10.705 243 HB2 LYS 31 HB2 LYS 31 11.190 -10.678 9.805 244 HB3 LYS 31 HB3 LYS 31 12.326 -10.827 11.139 245 HG2 LYS 31 HG2 LYS 31 10.298 -8.634 11.134 246 HG3 LYS 31 HG3 LYS 31 9.849 -10.269 11.625 247 HD2 LYS 31 HD2 LYS 31 12.246 -9.728 12.956 248 HD3 LYS 31 HD3 LYS 31 11.297 -8.245 13.084 249 HE2 LYS 31 HE2 LYS 31 9.461 -10.256 13.579 250 HE3 LYS 31 HE3 LYS 31 10.925 -10.816 14.386 251 HZ1 LYS 31 HZ1 LYS 31 11.020 -8.844 15.666 252 HZ2 LYS 31 HZ2 LYS 31 9.427 -9.403 15.769 253 HZ3 LYS 31 HZ3 LYS 31 9.802 -8.098 14.760 254 H GLN 32 H GLN 32 12.846 -10.167 7.658 255 HA GLN 32 HA GLN 32 15.081 -11.807 8.020 256 HB2 GLN 32 HB2 GLN 32 13.446 -11.434 5.980 257 HB3 GLN 32 HB3 GLN 32 14.727 -10.373 5.411 258 HG2 GLN 32 HG2 GLN 32 15.754 -12.138 4.574 259 HG3 GLN 32 HG3 GLN 32 15.992 -12.736 6.215 260 HE21 GLN 32 HE21 GLN 32 14.121 -12.985 3.314 261 HE22 GLN 32 HE22 GLN 32 13.272 -14.429 3.736 262 H TYR 33 H TYR 33 14.991 -8.413 6.891 263 HA TYR 33 HA TYR 33 17.812 -8.182 6.508 264 HB2 TYR 33 HB2 TYR 33 15.683 -6.594 5.971 265 HB3 TYR 33 HB3 TYR 33 16.325 -5.766 7.386 266 HD1 TYR 33 HD2 TYR 33 17.796 -7.398 4.353 267 HD2 TYR 33 HD1 TYR 33 17.645 -3.961 6.857 268 HE1 TYR 33 HE2 TYR 33 19.484 -6.301 2.939 269 HE2 TYR 33 HE1 TYR 33 19.331 -2.854 5.449 270 HH TYR 33 HH TYR 33 20.119 -3.043 3.029 271 H ALA 34 H ALA 34 15.832 -8.200 9.352 272 HA ALA 34 HA ALA 34 17.698 -6.757 11.045 273 HB1 ALA 34 HB1 ALA 34 15.075 -7.668 11.265 274 HB2 ALA 34 HB2 ALA 34 15.969 -8.601 12.465 275 HB3 ALA 34 HB3 ALA 34 16.017 -6.838 12.504 276 H ASN 35 H ASN 35 16.766 -10.225 10.832 277 HA ASN 35 HA ASN 35 18.769 -11.151 12.614 278 HB2 ASN 35 HB2 ASN 35 17.009 -12.355 10.545 279 HB3 ASN 35 HB3 ASN 35 18.435 -13.290 10.987 280 HD21 ASN 35 HD21 ASN 35 16.822 -14.819 11.760 281 HD22 ASN 35 HD22 ASN 35 16.178 -14.621 13.351 282 H ASP 36 H ASP 36 18.769 -10.920 9.040 283 HA ASP 36 HA ASP 36 21.313 -12.034 8.588 284 HB2 ASP 36 HB2 ASP 36 20.012 -9.744 7.081 285 HB3 ASP 36 HB3 ASP 36 21.298 -10.785 6.477 286 H ASN 37 H ASN 37 20.390 -8.796 9.655 287 HA ASN 37 HA ASN 37 23.214 -7.909 9.504 288 HB2 ASN 37 HB2 ASN 37 20.570 -6.560 9.940 289 HB3 ASN 37 HB3 ASN 37 22.031 -5.774 10.531 290 HD21 ASN 37 HD21 ASN 37 20.228 -6.756 7.751 291 HD22 ASN 37 HD22 ASN 37 21.170 -5.904 6.579 292 H GLY 38 H GLY 38 21.363 -9.662 11.601 293 HA2 GLY 38 HA2 GLY 38 21.814 -10.301 13.787 294 HA3 GLY 38 HA3 GLY 38 23.249 -9.286 13.759 295 H VAL 39 H VAL 39 20.589 -7.480 12.819 296 HA VAL 39 HA VAL 39 20.518 -6.208 15.496 297 HB VAL 39 HB VAL 39 19.470 -5.321 12.800 298 HG11 VAL 39 HG11 VAL 39 19.144 -4.102 15.524 299 HG12 VAL 39 HG12 VAL 39 19.075 -3.130 14.052 300 HG13 VAL 39 HG13 VAL 39 17.911 -4.431 14.307 301 HG21 VAL 39 HG21 VAL 39 21.180 -3.407 13.666 302 HG22 VAL 39 HG22 VAL 39 21.917 -4.851 14.360 303 HG23 VAL 39 HG23 VAL 39 21.641 -4.751 12.621 304 H ASP 40 H ASP 40 19.106 -7.053 16.880 305 HA ASP 40 HA ASP 40 16.303 -7.358 15.924 306 HB2 ASP 40 HB2 ASP 40 17.367 -9.604 15.942 307 HB3 ASP 40 HB3 ASP 40 17.742 -9.395 17.651 308 H GLY 41 H GLY 41 14.713 -7.419 17.695 309 HA2 GLY 41 HA2 GLY 41 15.177 -6.971 20.377 310 HA3 GLY 41 HA3 GLY 41 15.402 -5.383 19.658 311 H VAL 42 H VAL 42 13.678 -4.195 20.135 312 HA VAL 42 HA VAL 42 11.011 -5.506 20.036 313 HB VAL 42 HB VAL 42 10.187 -3.463 21.134 314 HG11 VAL 42 HG11 VAL 42 12.592 -4.262 22.709 315 HG12 VAL 42 HG12 VAL 42 10.925 -4.028 23.240 316 HG13 VAL 42 HG13 VAL 42 11.366 -5.470 22.324 317 HG21 VAL 42 HG21 VAL 42 12.392 -2.120 22.049 318 HG22 VAL 42 HG22 VAL 42 12.831 -2.477 20.379 319 HG23 VAL 42 HG23 VAL 42 11.348 -1.591 20.730 320 H TRP 43 H TRP 43 9.633 -5.211 18.420 321 HA TRP 43 HA TRP 43 10.255 -3.005 16.496 322 HB2 TRP 43 HB2 TRP 43 9.078 -5.758 16.108 323 HB3 TRP 43 HB3 TRP 43 8.858 -4.488 14.908 324 HD1 TRP 43 HD1 TRP 43 11.896 -6.037 16.788 325 HE1 TRP 43 HE1 TRP 43 13.820 -6.282 15.096 326 HE3 TRP 43 HE3 TRP 43 9.610 -4.054 12.667 327 HZ2 TRP 43 HZ2 TRP 43 14.304 -5.710 12.374 328 HZ3 TRP 43 HZ3 TRP 43 10.873 -3.939 10.559 329 HH2 TRP 43 HH2 TRP 43 13.172 -4.750 10.417 330 H THR 44 H THR 44 8.531 -1.839 15.547 331 HA THR 44 HA THR 44 5.933 -2.100 17.000 332 HB THR 44 HB THR 44 5.850 0.489 16.774 333 HG1 THR 44 HG1 THR 44 8.639 0.358 17.075 334 HG21 THR 44 HG21 THR 44 5.897 0.113 18.979 335 HG22 THR 44 HG22 THR 44 7.637 0.385 18.888 336 HG23 THR 44 HG23 THR 44 6.995 -1.254 18.798 337 H TYR 45 H TYR 45 4.079 -1.436 15.870 338 HA TYR 45 HA TYR 45 4.513 -0.818 12.984 339 HB2 TYR 45 HB2 TYR 45 4.066 -3.121 12.865 340 HB3 TYR 45 HB3 TYR 45 2.889 -3.063 14.172 341 HD1 TYR 45 HD1 TYR 45 3.165 -1.003 11.072 342 HD2 TYR 45 HD2 TYR 45 0.888 -3.835 13.285 343 HE1 TYR 45 HE1 TYR 45 1.351 -0.825 9.422 344 HE2 TYR 45 HE2 TYR 45 -0.933 -3.665 11.640 345 HH TYR 45 HH TYR 45 -0.888 -2.892 8.918 346 H ASP 46 H ASP 46 3.342 0.833 12.284 347 HA ASP 46 HA ASP 46 0.874 1.523 13.828 348 HB2 ASP 46 HB2 ASP 46 2.826 3.044 14.326 349 HB3 ASP 46 HB3 ASP 46 2.802 3.535 12.634 350 H ASP 47 H ASP 47 -0.463 0.530 12.319 351 HA ASP 47 HA ASP 47 -0.330 0.720 9.540 352 HB2 ASP 47 HB2 ASP 47 -2.547 -0.010 9.506 353 HB3 ASP 47 HB3 ASP 47 -2.002 -0.537 11.096 354 H ALA 48 H ALA 48 -1.411 3.121 11.876 355 HA ALA 48 HA ALA 48 -2.866 4.861 10.248 356 HB1 ALA 48 HB1 ALA 48 -0.860 5.660 12.365 357 HB2 ALA 48 HB2 ALA 48 -2.213 6.627 11.778 358 HB3 ALA 48 HB3 ALA 48 -2.516 5.139 12.675 359 H THR 49 H THR 49 0.634 4.381 10.428 360 HA THR 49 HA THR 49 0.878 6.129 8.020 361 HB THR 49 HB THR 49 3.262 6.622 9.054 362 HG1 THR 49 HG1 THR 49 2.412 5.256 10.983 363 HG21 THR 49 HG21 THR 49 2.192 8.629 10.254 364 HG22 THR 49 HG22 THR 49 0.654 7.963 9.705 365 HG23 THR 49 HG23 THR 49 1.878 8.439 8.529 366 H LYS 50 H LYS 50 0.690 3.189 8.449 367 HA LYS 50 HA LYS 50 2.020 1.260 8.124 368 HB2 LYS 50 HB2 LYS 50 2.830 1.414 5.636 369 HB3 LYS 50 HB3 LYS 50 1.110 1.446 6.003 370 HG2 LYS 50 HG2 LYS 50 2.398 4.080 5.936 371 HG3 LYS 50 HG3 LYS 50 2.381 3.216 4.397 372 HD2 LYS 50 HD2 LYS 50 0.248 3.770 4.110 373 HD3 LYS 50 HD3 LYS 50 -0.176 2.923 5.599 374 HE2 LYS 50 HE2 LYS 50 -0.244 4.832 6.825 375 HE3 LYS 50 HE3 LYS 50 1.037 5.605 5.893 376 HZ1 LYS 50 HZ1 LYS 50 -1.053 5.345 4.140 377 HZ2 LYS 50 HZ2 LYS 50 -0.562 6.766 4.915 378 HZ3 LYS 50 HZ3 LYS 50 -1.787 5.815 5.591 379 H THR 51 H THR 51 3.588 2.621 9.769 380 HA THR 51 HA THR 51 6.272 2.319 8.498 381 HB THR 51 HB THR 51 5.370 4.597 10.279 382 HG1 THR 51 HG1 THR 51 5.209 4.550 7.822 383 HG21 THR 51 HG21 THR 51 7.930 5.200 9.711 384 HG22 THR 51 HG22 THR 51 8.053 3.444 9.817 385 HG23 THR 51 HG23 THR 51 7.436 4.369 11.186 386 H PHE 52 H PHE 52 7.689 1.141 9.630 387 HA PHE 52 HA PHE 52 6.836 0.326 12.373 388 HB2 PHE 52 HB2 PHE 52 8.797 -1.089 10.547 389 HB3 PHE 52 HB3 PHE 52 8.085 -1.707 12.033 390 HD1 PHE 52 HD1 PHE 52 7.337 -0.734 8.549 391 HD2 PHE 52 HD2 PHE 52 6.002 -2.797 12.024 392 HE1 PHE 52 HE1 PHE 52 5.502 -1.732 7.247 393 HE2 PHE 52 HE2 PHE 52 4.166 -3.799 10.728 394 HZ PHE 52 HZ PHE 52 3.915 -3.268 8.337 395 H THR 53 H THR 53 8.776 -0.388 13.773 396 HA THR 53 HA THR 53 11.135 1.354 13.346 397 HB THR 53 HB THR 53 10.005 1.433 16.099 398 HG1 THR 53 HG1 THR 53 8.851 3.447 15.178 399 HG21 THR 53 HG21 THR 53 12.011 2.597 15.875 400 HG22 THR 53 HG22 THR 53 10.800 3.871 15.733 401 HG23 THR 53 HG23 THR 53 11.580 3.230 14.287 402 H VAL 54 H VAL 54 12.880 0.159 13.635 403 HA VAL 54 HA VAL 54 12.680 -2.142 15.536 404 HB VAL 54 HB VAL 54 13.136 -2.931 13.320 405 HG11 VAL 54 HG11 VAL 54 15.666 -1.816 12.694 406 HG12 VAL 54 HG12 VAL 54 14.148 -1.659 11.809 407 HG13 VAL 54 HG13 VAL 54 14.566 -0.488 13.060 408 HG21 VAL 54 HG21 VAL 54 14.402 -3.951 15.191 409 HG22 VAL 54 HG22 VAL 54 15.228 -4.084 13.639 410 HG23 VAL 54 HG23 VAL 54 15.754 -2.881 14.817 411 H THR 55 H THR 55 13.989 -2.259 17.250 412 HA THR 55 HA THR 55 16.138 -0.182 17.433 413 HB THR 55 HB THR 55 15.285 -1.310 19.988 414 HG1 THR 55 HG1 THR 55 13.364 -0.334 18.209 415 HG21 THR 55 HG21 THR 55 15.753 1.380 18.773 416 HG22 THR 55 HG22 THR 55 16.537 0.623 20.160 417 HG23 THR 55 HG23 THR 55 14.900 1.261 20.311 418 H GLU 56 H GLU 56 17.514 -0.996 19.607 419 HA GLU 56 HA GLU 56 18.560 -3.651 18.714 420 HB2 GLU 56 HB2 GLU 56 19.843 -1.131 19.248 421 HB3 GLU 56 HB3 GLU 56 20.450 -2.339 20.372 422 HG2 GLU 56 HG2 GLU 56 20.315 -3.431 17.722 423 HG3 GLU 56 HG3 GLU 56 21.226 -1.923 17.721 Start of MODEL 41 1 H1 MET 1 H MET 1 0.071 -0.157 0.699 2 HA MET 1 HA MET 1 1.367 -1.480 -1.333 3 HB2 MET 1 HB2 MET 1 -0.275 0.253 -1.768 4 HB3 MET 1 HB3 MET 1 0.792 1.478 -1.094 5 HG2 MET 1 HG2 MET 1 1.989 -0.055 -3.269 6 HG3 MET 1 HG3 MET 1 0.554 0.854 -3.738 7 HE1 MET 1 HE1 MET 1 0.734 2.636 -4.821 8 HE2 MET 1 HE2 MET 1 0.718 3.947 -3.642 9 HE3 MET 1 HE3 MET 1 1.999 3.865 -4.852 10 H GLN 2 H GLN 2 2.680 0.645 1.081 11 HA GLN 2 HA GLN 2 5.383 -0.022 0.205 12 HB2 GLN 2 HB2 GLN 2 4.294 2.260 -0.916 13 HB3 GLN 2 HB3 GLN 2 5.174 2.890 0.471 14 HG2 GLN 2 HG2 GLN 2 7.208 2.279 -0.361 15 HG3 GLN 2 HG3 GLN 2 6.546 0.941 -1.300 16 HE21 GLN 2 HE21 GLN 2 6.223 4.474 -1.122 17 HE22 GLN 2 HE22 GLN 2 6.289 4.736 -2.828 18 H TYR 3 H TYR 3 6.533 -0.379 1.970 19 HA TYR 3 HA TYR 3 5.815 1.188 4.416 20 HB2 TYR 3 HB2 TYR 3 6.637 -1.726 4.229 21 HB3 TYR 3 HB3 TYR 3 6.432 -0.834 5.732 22 HD1 TYR 3 HD2 TYR 3 4.577 -1.848 2.663 23 HD2 TYR 3 HD1 TYR 3 4.354 -0.795 6.780 24 HE1 TYR 3 HE2 TYR 3 2.188 -2.434 2.678 25 HE2 TYR 3 HE1 TYR 3 1.965 -1.378 6.806 26 HH TYR 3 HH TYR 3 0.071 -1.471 4.848 27 H LYS 4 H LYS 4 7.476 1.816 5.785 28 HA LYS 4 HA LYS 4 10.205 1.517 4.591 29 HB2 LYS 4 HB2 LYS 4 9.845 3.787 4.430 30 HB3 LYS 4 HB3 LYS 4 8.779 3.834 5.827 31 HG2 LYS 4 HG2 LYS 4 10.588 3.810 7.336 32 HG3 LYS 4 HG3 LYS 4 11.734 3.360 6.071 33 HD2 LYS 4 HD2 LYS 4 10.208 5.899 5.769 34 HD3 LYS 4 HD3 LYS 4 11.536 5.849 6.931 35 HE2 LYS 4 HE2 LYS 4 13.107 5.746 5.319 36 HE3 LYS 4 HE3 LYS 4 12.136 4.687 4.298 37 HZ1 LYS 4 HZ1 LYS 4 11.794 7.623 4.586 38 HZ2 LYS 4 HZ2 LYS 4 10.823 6.618 3.634 39 HZ3 LYS 4 HZ3 LYS 4 12.457 6.826 3.250 40 H LEU 5 H LEU 5 11.778 0.659 5.791 41 HA LEU 5 HA LEU 5 11.099 0.056 8.635 42 HB2 LEU 5 HB2 LEU 5 11.502 -1.905 7.289 43 HB3 LEU 5 HB3 LEU 5 13.030 -1.246 6.710 44 HG LEU 5 HG LEU 5 13.813 -1.347 9.130 45 HD11 LEU 5 HD11 LEU 5 11.964 -1.632 10.457 46 HD12 LEU 5 HD12 LEU 5 12.528 -3.296 10.310 47 HD13 LEU 5 HD13 LEU 5 11.181 -2.731 9.322 48 HD21 LEU 5 HD21 LEU 5 13.708 -4.072 8.806 49 HD22 LEU 5 HD22 LEU 5 14.911 -2.995 8.098 50 HD23 LEU 5 HD23 LEU 5 13.494 -3.472 7.162 51 H VAL 6 H VAL 6 11.860 1.623 9.911 52 HA VAL 6 HA VAL 6 14.553 2.738 9.316 53 HB VAL 6 HB VAL 6 12.474 3.644 11.327 54 HG11 VAL 6 HG11 VAL 6 13.902 5.728 11.333 55 HG12 VAL 6 HG12 VAL 6 14.601 4.313 12.123 56 HG13 VAL 6 HG13 VAL 6 15.137 4.779 10.508 57 HG21 VAL 6 HG21 VAL 6 11.447 4.421 9.492 58 HG22 VAL 6 HG22 VAL 6 12.726 5.635 9.476 59 HG23 VAL 6 HG23 VAL 6 12.871 4.188 8.478 60 H ILE 7 H ILE 7 16.235 1.788 10.227 61 HA ILE 7 HA ILE 7 15.826 0.407 12.835 62 HB ILE 7 HB ILE 7 18.128 0.227 10.873 63 HG12 ILE 7 HG12 ILE 7 16.239 -2.003 11.536 64 HG13 ILE 7 HG13 ILE 7 15.763 -0.785 10.358 65 HG21 ILE 7 HG21 ILE 7 17.755 -0.736 13.623 66 HG22 ILE 7 HG22 ILE 7 18.345 -1.942 12.480 67 HG23 ILE 7 HG23 ILE 7 19.236 -0.438 12.714 68 HD11 ILE 7 HD11 ILE 7 17.380 -3.072 9.983 69 HD12 ILE 7 HD12 ILE 7 16.897 -1.858 8.799 70 HD13 ILE 7 HD13 ILE 7 18.386 -1.648 9.720 71 H ASN 8 H ASN 8 16.970 0.897 14.654 72 HA ASN 8 HA ASN 8 18.782 3.269 14.440 73 HB2 ASN 8 HB2 ASN 8 16.425 2.786 16.163 74 HB3 ASN 8 HB3 ASN 8 17.838 3.427 16.997 75 HD21 ASN 8 HD21 ASN 8 18.950 5.195 15.497 76 HD22 ASN 8 HD22 ASN 8 17.862 6.436 14.984 77 H GLY 9 H GLY 9 20.368 1.444 14.181 78 HA2 GLY 9 HA2 GLY 9 20.970 0.119 16.774 79 HA3 GLY 9 HA3 GLY 9 21.632 -0.323 15.207 80 H LYS 10 H LYS 10 23.167 -0.000 17.557 81 HA LYS 10 HA LYS 10 24.384 2.627 17.574 82 HB2 LYS 10 HB2 LYS 10 25.455 -0.005 18.634 83 HB3 LYS 10 HB3 LYS 10 26.046 1.599 19.051 84 HG2 LYS 10 HG2 LYS 10 23.550 1.971 19.785 85 HG3 LYS 10 HG3 LYS 10 23.558 0.209 19.900 86 HD2 LYS 10 HD2 LYS 10 24.910 0.208 21.706 87 HD3 LYS 10 HD3 LYS 10 25.877 1.559 21.111 88 HE2 LYS 10 HE2 LYS 10 23.444 2.726 21.635 89 HE3 LYS 10 HE3 LYS 10 23.593 1.538 22.929 90 HZ1 LYS 10 HZ1 LYS 10 25.715 3.497 22.255 91 HZ2 LYS 10 HZ2 LYS 10 25.642 2.489 23.611 92 HZ3 LYS 10 HZ3 LYS 10 24.542 3.764 23.444 93 H THR 11 H THR 11 24.868 -0.329 15.775 94 HA THR 11 HA THR 11 27.231 0.959 14.461 95 HB THR 11 HB THR 11 27.148 -1.912 14.071 96 HG1 THR 11 HG1 THR 11 26.179 -1.763 16.218 97 HG21 THR 11 HG21 THR 11 29.059 -0.235 13.800 98 HG22 THR 11 HG22 THR 11 29.443 -1.771 14.577 99 HG23 THR 11 HG23 THR 11 29.224 -0.319 15.553 100 H LEU 12 H LEU 12 24.113 0.585 14.023 101 HA LEU 12 HA LEU 12 24.428 0.268 11.099 102 HB2 LEU 12 HB2 LEU 12 23.454 -1.818 12.712 103 HB3 LEU 12 HB3 LEU 12 22.037 -1.104 11.945 104 HG LEU 12 HG LEU 12 22.948 -1.536 9.754 105 HD11 LEU 12 HD11 LEU 12 25.084 -2.933 9.646 106 HD12 LEU 12 HD12 LEU 12 25.391 -2.361 11.285 107 HD13 LEU 12 HD13 LEU 12 25.252 -1.206 9.961 108 HD21 LEU 12 HD21 LEU 12 22.355 -3.570 11.684 109 HD22 LEU 12 HD22 LEU 12 23.529 -4.177 10.516 110 HD23 LEU 12 HD23 LEU 12 21.986 -3.525 9.960 111 H LYS 13 H LYS 13 23.441 1.896 10.134 112 HA LYS 13 HA LYS 13 20.849 2.835 11.218 113 HB2 LYS 13 HB2 LYS 13 23.336 4.519 10.946 114 HB3 LYS 13 HB3 LYS 13 21.736 5.241 10.836 115 HG2 LYS 13 HG2 LYS 13 21.658 5.364 13.041 116 HG3 LYS 13 HG3 LYS 13 21.751 3.603 13.135 117 HD2 LYS 13 HD2 LYS 13 23.969 3.612 13.629 118 HD3 LYS 13 HD3 LYS 13 24.290 5.050 12.656 119 HE2 LYS 13 HE2 LYS 13 23.437 6.484 14.356 120 HE3 LYS 13 HE3 LYS 13 22.798 5.119 15.271 121 HZ1 LYS 13 HZ1 LYS 13 25.640 5.007 14.761 122 HZ2 LYS 13 HZ2 LYS 13 24.783 4.702 16.186 123 HZ3 LYS 13 HZ3 LYS 13 25.159 6.293 15.750 124 H GLY 14 H GLY 14 19.988 1.835 9.341 125 HA2 GLY 14 HA2 GLY 14 20.419 3.516 6.914 126 HA3 GLY 14 HA3 GLY 14 20.429 1.763 6.792 127 H GLU 15 H GLU 15 18.711 2.542 5.157 128 HA GLU 15 HA GLU 15 16.094 2.402 6.592 129 HB2 GLU 15 HB2 GLU 15 16.999 4.318 4.481 130 HB3 GLU 15 HB3 GLU 15 15.329 3.770 4.443 131 HG2 GLU 15 HG2 GLU 15 14.778 4.851 6.369 132 HG3 GLU 15 HG3 GLU 15 16.411 4.749 7.025 133 H THR 16 H THR 16 14.783 0.833 5.934 134 HA THR 16 HA THR 16 15.426 -0.459 3.310 135 HB THR 16 HB THR 16 13.999 -2.257 5.027 136 HG1 THR 16 HG1 THR 16 15.005 -0.940 6.703 137 HG21 THR 16 HG21 THR 16 16.898 -2.412 4.227 138 HG22 THR 16 HG22 THR 16 15.583 -2.704 3.088 139 HG23 THR 16 HG23 THR 16 15.769 -3.737 4.505 140 H THR 17 H THR 17 13.930 0.446 1.993 141 HA THR 17 HA THR 17 11.099 0.430 2.923 142 HB THR 17 HB THR 17 10.616 1.985 1.174 143 HG1 THR 17 HG1 THR 17 12.022 2.425 -0.480 144 HG21 THR 17 HG21 THR 17 11.579 3.750 2.174 145 HG22 THR 17 HG22 THR 17 13.208 3.187 1.798 146 HG23 THR 17 HG23 THR 17 12.361 2.559 3.212 147 H THR 18 H THR 18 9.479 -0.631 1.845 148 HA THR 18 HA THR 18 10.067 -2.041 -0.658 149 HB THR 18 HB THR 18 10.962 -3.549 1.172 150 HG1 THR 18 HG1 THR 18 10.547 -4.877 -0.420 151 HG21 THR 18 HG21 THR 18 9.664 -4.368 2.833 152 HG22 THR 18 HG22 THR 18 8.229 -4.452 1.811 153 HG23 THR 18 HG23 THR 18 8.710 -2.916 2.531 154 H LYS 19 H LYS 19 8.066 -3.715 -0.974 155 HA LYS 19 HA LYS 19 5.629 -2.114 -0.297 156 HB2 LYS 19 HB2 LYS 19 4.752 -2.498 -2.444 157 HB3 LYS 19 HB3 LYS 19 6.441 -2.108 -2.736 158 HG2 LYS 19 HG2 LYS 19 6.426 -4.862 -2.446 159 HG3 LYS 19 HG3 LYS 19 4.960 -4.510 -3.363 160 HD2 LYS 19 HD2 LYS 19 7.698 -3.460 -4.069 161 HD3 LYS 19 HD3 LYS 19 6.978 -4.909 -4.775 162 HE2 LYS 19 HE2 LYS 19 6.099 -3.566 -6.321 163 HE3 LYS 19 HE3 LYS 19 5.010 -2.988 -5.061 164 HZ1 LYS 19 HZ1 LYS 19 6.903 -1.523 -6.451 165 HZ2 LYS 19 HZ2 LYS 19 7.498 -1.662 -4.874 166 HZ3 LYS 19 HZ3 LYS 19 5.962 -1.006 -5.143 167 H ALA 20 H ALA 20 3.651 -3.268 -0.039 168 HA ALA 20 HA ALA 20 3.552 -6.141 -0.087 169 HB1 ALA 20 HB1 ALA 20 4.180 -4.816 2.533 170 HB2 ALA 20 HB2 ALA 20 3.242 -6.310 2.480 171 HB3 ALA 20 HB3 ALA 20 4.876 -6.271 1.818 172 H VAL 21 H VAL 21 1.487 -6.918 0.168 173 HA VAL 21 HA VAL 21 -0.648 -5.122 -0.251 174 HB VAL 21 HB VAL 21 -2.129 -7.050 0.372 175 HG11 VAL 21 HG11 VAL 21 0.042 -7.160 -1.644 176 HG12 VAL 21 HG12 VAL 21 -0.910 -8.625 -1.392 177 HG13 VAL 21 HG13 VAL 21 -1.707 -7.123 -1.862 178 HG21 VAL 21 HG21 VAL 21 -0.862 -8.101 2.100 179 HG22 VAL 21 HG22 VAL 21 -0.978 -9.241 0.760 180 HG23 VAL 21 HG23 VAL 21 0.515 -8.340 1.024 181 H ASP 22 H ASP 22 0.573 -6.594 2.749 182 HA ASP 22 HA ASP 22 -0.817 -4.482 4.269 183 HB2 ASP 22 HB2 ASP 22 -1.894 -6.040 5.806 184 HB3 ASP 22 HB3 ASP 22 -2.457 -6.339 4.164 185 H ALA 23 H ALA 23 -0.090 -4.319 6.492 186 HA ALA 23 HA ALA 23 2.689 -4.432 6.760 187 HB1 ALA 23 HB1 ALA 23 1.278 -3.094 8.211 188 HB2 ALA 23 HB2 ALA 23 0.601 -4.548 8.945 189 HB3 ALA 23 HB3 ALA 23 2.303 -4.153 9.179 190 H GLU 24 H GLU 24 0.266 -6.896 7.547 191 HA GLU 24 HA GLU 24 1.796 -8.638 9.102 192 HB2 GLU 24 HB2 GLU 24 -0.512 -9.111 8.735 193 HB3 GLU 24 HB3 GLU 24 -0.296 -9.194 6.992 194 HG2 GLU 24 HG2 GLU 24 0.724 -11.278 7.089 195 HG3 GLU 24 HG3 GLU 24 1.108 -11.116 8.802 196 H THR 25 H THR 25 1.981 -7.989 5.657 197 HA THR 25 HA THR 25 3.787 -10.281 5.213 198 HB THR 25 HB THR 25 2.784 -8.100 3.363 199 HG1 THR 25 HG1 THR 25 1.605 -9.851 2.477 200 HG21 THR 25 HG21 THR 25 4.813 -8.611 2.375 201 HG22 THR 25 HG22 THR 25 3.747 -9.797 1.623 202 HG23 THR 25 HG23 THR 25 4.795 -10.275 2.957 203 H ALA 26 H ALA 26 3.915 -6.702 5.036 204 HA ALA 26 HA ALA 26 6.640 -6.471 4.349 205 HB1 ALA 26 HB1 ALA 26 6.409 -4.237 4.796 206 HB2 ALA 26 HB2 ALA 26 4.710 -4.696 4.664 207 HB3 ALA 26 HB3 ALA 26 5.451 -4.506 6.253 208 H GLU 27 H GLU 27 5.092 -6.953 7.506 209 HA GLU 27 HA GLU 27 7.232 -6.396 9.209 210 HB2 GLU 27 HB2 GLU 27 5.059 -6.975 10.077 211 HB3 GLU 27 HB3 GLU 27 5.148 -8.587 9.381 212 HG2 GLU 27 HG2 GLU 27 6.785 -9.277 10.925 213 HG3 GLU 27 HG3 GLU 27 7.093 -7.623 11.451 214 H LYS 28 H LYS 28 6.385 -9.748 8.254 215 HA LYS 28 HA LYS 28 8.788 -10.930 9.043 216 HB2 LYS 28 HB2 LYS 28 6.645 -11.598 7.097 217 HB3 LYS 28 HB3 LYS 28 8.163 -12.465 6.903 218 HG2 LYS 28 HG2 LYS 28 7.406 -13.883 8.432 219 HG3 LYS 28 HG3 LYS 28 7.673 -12.604 9.619 220 HD2 LYS 28 HD2 LYS 28 5.460 -13.159 9.997 221 HD3 LYS 28 HD3 LYS 28 5.310 -11.798 8.883 222 HE2 LYS 28 HE2 LYS 28 5.256 -13.544 7.026 223 HE3 LYS 28 HE3 LYS 28 5.012 -14.733 8.305 224 HZ1 LYS 28 HZ1 LYS 28 3.253 -12.460 8.475 225 HZ2 LYS 28 HZ2 LYS 28 2.899 -14.111 8.575 226 HZ3 LYS 28 HZ3 LYS 28 3.046 -13.368 7.062 227 H ALA 29 H ALA 29 8.021 -9.231 6.030 228 HA ALA 29 HA ALA 29 10.331 -9.982 4.560 229 HB1 ALA 29 HB1 ALA 29 8.223 -8.705 3.808 230 HB2 ALA 29 HB2 ALA 29 9.079 -7.259 4.344 231 HB3 ALA 29 HB3 ALA 29 9.768 -8.272 3.076 232 H PHE 30 H PHE 30 9.749 -7.208 6.744 233 HA PHE 30 HA PHE 30 12.442 -6.182 6.399 234 HB2 PHE 30 HB2 PHE 30 10.233 -5.594 8.384 235 HB3 PHE 30 HB3 PHE 30 11.793 -4.778 8.425 236 HD1 PHE 30 HD2 PHE 30 12.338 -4.388 5.569 237 HD2 PHE 30 HD1 PHE 30 8.716 -3.960 7.764 238 HE1 PHE 30 HE2 PHE 30 11.529 -2.759 3.911 239 HE2 PHE 30 HE1 PHE 30 7.902 -2.331 6.109 240 HZ PHE 30 HZ PHE 30 9.309 -1.728 4.180 241 H LYS 31 H LYS 31 10.758 -8.141 8.850 242 HA LYS 31 HA LYS 31 12.730 -8.212 10.831 243 HB2 LYS 31 HB2 LYS 31 10.738 -10.262 9.876 244 HB3 LYS 31 HB3 LYS 31 11.839 -10.622 11.200 245 HG2 LYS 31 HG2 LYS 31 10.591 -8.082 11.643 246 HG3 LYS 31 HG3 LYS 31 9.365 -9.313 11.325 247 HD2 LYS 31 HD2 LYS 31 10.271 -10.715 13.077 248 HD3 LYS 31 HD3 LYS 31 11.591 -9.575 13.347 249 HE2 LYS 31 HE2 LYS 31 10.223 -8.827 14.982 250 HE3 LYS 31 HE3 LYS 31 9.499 -7.923 13.653 251 HZ1 LYS 31 HZ1 LYS 31 7.673 -9.248 13.622 252 HZ2 LYS 31 HZ2 LYS 31 8.062 -9.405 15.260 253 HZ3 LYS 31 HZ3 LYS 31 8.497 -10.621 14.168 254 H GLN 32 H GLN 32 12.406 -10.352 7.976 255 HA GLN 32 HA GLN 32 14.692 -11.943 8.532 256 HB2 GLN 32 HB2 GLN 32 12.853 -12.337 6.806 257 HB3 GLN 32 HB3 GLN 32 13.720 -11.219 5.762 258 HG2 GLN 32 HG2 GLN 32 15.736 -12.842 6.351 259 HG3 GLN 32 HG3 GLN 32 14.407 -13.978 6.582 260 HE21 GLN 32 HE21 GLN 32 15.908 -11.781 4.287 261 HE22 GLN 32 HE22 GLN 32 15.332 -12.576 2.866 262 H TYR 33 H TYR 33 14.374 -8.706 7.311 263 HA TYR 33 HA TYR 33 17.014 -8.628 6.082 264 HB2 TYR 33 HB2 TYR 33 15.048 -7.155 5.461 265 HB3 TYR 33 HB3 TYR 33 15.310 -6.283 6.967 266 HD1 TYR 33 HD2 TYR 33 16.653 -6.985 3.625 267 HD2 TYR 33 HD1 TYR 33 17.196 -4.794 7.232 268 HE1 TYR 33 HE2 TYR 33 18.315 -5.561 2.503 269 HE2 TYR 33 HE1 TYR 33 18.858 -3.363 6.119 270 HH TYR 33 HH TYR 33 19.387 -3.486 2.690 271 H ALA 34 H ALA 34 15.563 -7.482 9.139 272 HA ALA 34 HA ALA 34 17.972 -6.271 10.124 273 HB1 ALA 34 HB1 ALA 34 16.464 -7.078 12.339 274 HB2 ALA 34 HB2 ALA 34 16.433 -5.507 11.537 275 HB3 ALA 34 HB3 ALA 34 15.287 -6.761 11.064 276 H ASN 35 H ASN 35 16.412 -9.422 10.858 277 HA ASN 35 HA ASN 35 18.392 -10.364 12.633 278 HB2 ASN 35 HB2 ASN 35 16.197 -11.447 12.281 279 HB3 ASN 35 HB3 ASN 35 16.716 -11.978 10.684 280 HD21 ASN 35 HD21 ASN 35 16.138 -14.088 11.602 281 HD22 ASN 35 HD22 ASN 35 17.338 -14.948 12.500 282 H ASP 36 H ASP 36 18.407 -10.069 9.160 283 HA ASP 36 HA ASP 36 20.664 -11.906 8.813 284 HB2 ASP 36 HB2 ASP 36 18.906 -10.278 7.075 285 HB3 ASP 36 HB3 ASP 36 20.555 -10.483 6.492 286 H ASN 37 H ASN 37 20.167 -8.550 9.528 287 HA ASN 37 HA ASN 37 23.029 -7.982 8.900 288 HB2 ASN 37 HB2 ASN 37 20.735 -6.521 8.344 289 HB3 ASN 37 HB3 ASN 37 21.389 -5.712 9.765 290 HD21 ASN 37 HD21 ASN 37 24.066 -5.973 9.414 291 HD22 ASN 37 HD22 ASN 37 24.565 -5.125 7.994 292 H GLY 38 H GLY 38 22.259 -9.575 11.177 293 HA2 GLY 38 HA2 GLY 38 22.623 -9.668 13.463 294 HA3 GLY 38 HA3 GLY 38 23.883 -8.481 13.161 295 H VAL 39 H VAL 39 20.342 -8.198 12.852 296 HA VAL 39 HA VAL 39 20.491 -6.031 14.913 297 HB VAL 39 HB VAL 39 18.597 -6.238 12.556 298 HG11 VAL 39 HG11 VAL 39 18.903 -4.076 14.638 299 HG12 VAL 39 HG12 VAL 39 17.832 -4.019 13.237 300 HG13 VAL 39 HG13 VAL 39 17.557 -5.207 14.511 301 HG21 VAL 39 HG21 VAL 39 20.083 -3.865 12.456 302 HG22 VAL 39 HG22 VAL 39 21.244 -5.145 12.808 303 HG23 VAL 39 HG23 VAL 39 20.212 -5.259 11.382 304 H ASP 40 H ASP 40 19.130 -6.089 16.605 305 HA ASP 40 HA ASP 40 16.672 -7.643 16.534 306 HB2 ASP 40 HB2 ASP 40 18.607 -9.326 16.917 307 HB3 ASP 40 HB3 ASP 40 18.719 -8.614 18.524 308 H GLY 41 H GLY 41 15.258 -6.558 17.718 309 HA2 GLY 41 HA2 GLY 41 15.840 -5.667 20.387 310 HA3 GLY 41 HA3 GLY 41 15.916 -4.313 19.270 311 H VAL 42 H VAL 42 14.138 -3.135 19.437 312 HA VAL 42 HA VAL 42 11.588 -4.479 20.078 313 HB VAL 42 HB VAL 42 11.897 -1.530 19.565 314 HG11 VAL 42 HG11 VAL 42 9.979 -3.322 20.957 315 HG12 VAL 42 HG12 VAL 42 10.214 -1.694 21.598 316 HG13 VAL 42 HG13 VAL 42 9.678 -1.918 19.933 317 HG21 VAL 42 HG21 VAL 42 12.661 -3.023 22.069 318 HG22 VAL 42 HG22 VAL 42 13.703 -2.016 21.064 319 HG23 VAL 42 HG23 VAL 42 12.398 -1.280 21.996 320 H TRP 43 H TRP 43 9.600 -3.842 18.898 321 HA TRP 43 HA TRP 43 10.120 -3.224 16.033 322 HB2 TRP 43 HB2 TRP 43 8.842 -5.700 17.152 323 HB3 TRP 43 HB3 TRP 43 8.280 -5.060 15.610 324 HD1 TRP 43 HD1 TRP 43 11.128 -6.976 17.180 325 HE1 TRP 43 HE1 TRP 43 12.779 -7.707 15.345 326 HE3 TRP 43 HE3 TRP 43 9.254 -4.261 13.274 327 HZ2 TRP 43 HZ2 TRP 43 13.228 -7.199 12.605 328 HZ3 TRP 43 HZ3 TRP 43 10.352 -4.440 11.079 329 HH2 TRP 43 HH2 TRP 43 12.298 -5.878 10.754 330 H THR 44 H THR 44 9.222 -1.183 16.347 331 HA THR 44 HA THR 44 6.366 -1.146 17.201 332 HB THR 44 HB THR 44 6.981 1.472 16.914 333 HG1 THR 44 HG1 THR 44 9.197 1.496 17.990 334 HG21 THR 44 HG21 THR 44 7.582 1.393 19.389 335 HG22 THR 44 HG22 THR 44 7.433 -0.360 19.259 336 HG23 THR 44 HG23 THR 44 6.041 0.671 18.927 337 H TYR 45 H TYR 45 5.087 -1.575 15.503 338 HA TYR 45 HA TYR 45 5.622 -0.020 13.002 339 HB2 TYR 45 HB2 TYR 45 5.279 -1.885 11.800 340 HB3 TYR 45 HB3 TYR 45 5.377 -2.778 13.313 341 HD1 TYR 45 HD1 TYR 45 3.091 -1.347 10.812 342 HD2 TYR 45 HD2 TYR 45 3.411 -3.711 14.335 343 HE1 TYR 45 HE1 TYR 45 0.772 -2.105 10.507 344 HE2 TYR 45 HE2 TYR 45 1.093 -4.476 14.039 345 HH TYR 45 HH TYR 45 -0.884 -3.978 12.943 346 H ASP 46 H ASP 46 3.987 1.116 12.047 347 HA ASP 46 HA ASP 46 1.438 1.224 13.614 348 HB2 ASP 46 HB2 ASP 46 2.796 3.275 13.840 349 HB3 ASP 46 HB3 ASP 46 2.803 3.465 12.089 350 H ASP 47 H ASP 47 -0.372 0.738 12.575 351 HA ASP 47 HA ASP 47 -0.217 0.132 9.711 352 HB2 ASP 47 HB2 ASP 47 -2.315 -0.908 9.979 353 HB3 ASP 47 HB3 ASP 47 -1.492 -1.199 11.510 354 H ALA 48 H ALA 48 -0.520 2.945 11.336 355 HA ALA 48 HA ALA 48 -2.631 4.059 9.562 356 HB1 ALA 48 HB1 ALA 48 -2.528 4.481 12.087 357 HB2 ALA 48 HB2 ALA 48 -1.176 5.557 11.729 358 HB3 ALA 48 HB3 ALA 48 -2.765 5.877 11.035 359 H THR 49 H THR 49 0.624 5.047 10.730 360 HA THR 49 HA THR 49 0.978 6.518 8.166 361 HB THR 49 HB THR 49 2.983 6.641 10.389 362 HG1 THR 49 HG1 THR 49 1.342 7.153 11.668 363 HG21 THR 49 HG21 THR 49 2.259 8.150 8.012 364 HG22 THR 49 HG22 THR 49 3.756 8.166 8.945 365 HG23 THR 49 HG23 THR 49 2.397 9.176 9.439 366 H LYS 50 H LYS 50 1.109 3.612 8.272 367 HA LYS 50 HA LYS 50 2.701 1.867 8.033 368 HB2 LYS 50 HB2 LYS 50 2.577 3.738 5.737 369 HB3 LYS 50 HB3 LYS 50 3.901 2.581 5.701 370 HG2 LYS 50 HG2 LYS 50 2.407 1.247 4.709 371 HG3 LYS 50 HG3 LYS 50 1.823 0.967 6.352 372 HD2 LYS 50 HD2 LYS 50 -0.159 1.623 5.517 373 HD3 LYS 50 HD3 LYS 50 0.500 3.251 5.697 374 HE2 LYS 50 HE2 LYS 50 0.934 1.652 3.196 375 HE3 LYS 50 HE3 LYS 50 -0.536 2.595 3.437 376 HZ1 LYS 50 HZ1 LYS 50 2.227 3.523 3.085 377 HZ2 LYS 50 HZ2 LYS 50 1.154 4.473 3.983 378 HZ3 LYS 50 HZ3 LYS 50 0.803 4.095 2.372 379 H THR 51 H THR 51 3.908 2.916 10.004 380 HA THR 51 HA THR 51 6.680 3.544 9.062 381 HB THR 51 HB THR 51 5.256 4.490 11.564 382 HG1 THR 51 HG1 THR 51 4.795 5.776 9.786 383 HG21 THR 51 HG21 THR 51 7.502 3.977 12.208 384 HG22 THR 51 HG22 THR 51 7.399 5.725 11.996 385 HG23 THR 51 HG23 THR 51 8.150 4.728 10.750 386 H PHE 52 H PHE 52 8.039 1.925 9.372 387 HA PHE 52 HA PHE 52 7.510 0.098 11.678 388 HB2 PHE 52 HB2 PHE 52 8.500 -0.331 8.907 389 HB3 PHE 52 HB3 PHE 52 9.265 -1.293 10.167 390 HD1 PHE 52 HD2 PHE 52 5.929 -0.356 8.822 391 HD2 PHE 52 HD1 PHE 52 8.259 -3.242 10.910 392 HE1 PHE 52 HE2 PHE 52 4.031 -1.921 8.770 393 HE2 PHE 52 HE1 PHE 52 6.365 -4.812 10.860 394 HZ PHE 52 HZ PHE 52 4.248 -4.152 9.791 395 H THR 53 H THR 53 8.669 0.803 13.360 396 HA THR 53 HA THR 53 11.464 1.696 12.855 397 HB THR 53 HB THR 53 10.082 1.844 15.527 398 HG1 THR 53 HG1 THR 53 9.916 3.843 13.506 399 HG21 THR 53 HG21 THR 53 12.598 2.395 14.926 400 HG22 THR 53 HG22 THR 53 11.691 3.387 16.068 401 HG23 THR 53 HG23 THR 53 11.892 3.923 14.400 402 H VAL 54 H VAL 54 13.232 0.729 13.760 403 HA VAL 54 HA VAL 54 12.730 -1.669 15.460 404 HB VAL 54 HB VAL 54 14.499 -1.589 13.003 405 HG11 VAL 54 HG11 VAL 54 15.793 -2.868 14.394 406 HG12 VAL 54 HG12 VAL 54 14.414 -3.436 15.337 407 HG13 VAL 54 HG13 VAL 54 14.725 -4.106 13.735 408 HG21 VAL 54 HG21 VAL 54 12.161 -1.965 12.489 409 HG22 VAL 54 HG22 VAL 54 13.074 -3.456 12.257 410 HG23 VAL 54 HG23 VAL 54 12.076 -3.247 13.697 411 H THR 55 H THR 55 13.470 -0.614 17.284 412 HA THR 55 HA THR 55 16.206 0.529 17.180 413 HB THR 55 HB THR 55 14.363 1.766 18.341 414 HG1 THR 55 HG1 THR 55 15.904 2.550 19.560 415 HG21 THR 55 HG21 THR 55 13.137 0.893 20.010 416 HG22 THR 55 HG22 THR 55 14.536 0.121 20.757 417 HG23 THR 55 HG23 THR 55 13.706 -0.666 19.415 418 H GLU 56 H GLU 56 17.957 -0.316 18.183 419 HA GLU 56 HA GLU 56 17.602 -3.066 19.255 420 HB2 GLU 56 HB2 GLU 56 19.351 -2.183 17.418 421 HB3 GLU 56 HB3 GLU 56 20.308 -1.882 18.861 422 HG2 GLU 56 HG2 GLU 56 19.617 -4.352 19.434 423 HG3 GLU 56 HG3 GLU 56 19.399 -4.455 17.688 Start of MODEL 42 1 H1 MET 1 H MET 1 -0.399 1.084 -0.989 2 HA MET 1 HA MET 1 0.817 -0.531 0.509 3 HB2 MET 1 HB2 MET 1 1.347 -1.036 -2.418 4 HB3 MET 1 HB3 MET 1 1.137 -2.232 -1.147 5 HG2 MET 1 HG2 MET 1 -0.953 -2.360 -1.917 6 HG3 MET 1 HG3 MET 1 -1.206 -0.890 -0.980 7 HE1 MET 1 HE1 MET 1 -2.632 -2.124 -4.019 8 HE2 MET 1 HE2 MET 1 -1.724 -1.457 -5.375 9 HE3 MET 1 HE3 MET 1 -0.957 -2.610 -4.282 10 H GLN 2 H GLN 2 2.497 1.340 1.084 11 HA GLN 2 HA GLN 2 5.118 0.158 0.368 12 HB2 GLN 2 HB2 GLN 2 4.340 2.360 -0.987 13 HB3 GLN 2 HB3 GLN 2 5.045 3.127 0.430 14 HG2 GLN 2 HG2 GLN 2 7.129 2.652 -0.201 15 HG3 GLN 2 HG3 GLN 2 6.707 1.013 -0.697 16 HE21 GLN 2 HE21 GLN 2 8.237 1.530 -2.437 17 HE22 GLN 2 HE22 GLN 2 7.639 2.331 -3.846 18 H TYR 3 H TYR 3 6.382 -0.088 2.089 19 HA TYR 3 HA TYR 3 5.762 1.596 4.484 20 HB2 TYR 3 HB2 TYR 3 6.704 -1.276 4.610 21 HB3 TYR 3 HB3 TYR 3 6.065 -0.284 5.916 22 HD1 TYR 3 HD2 TYR 3 5.172 -2.109 2.832 23 HD2 TYR 3 HD1 TYR 3 3.723 -0.115 6.300 24 HE1 TYR 3 HE2 TYR 3 2.920 -2.996 2.393 25 HE2 TYR 3 HE1 TYR 3 1.467 -0.997 5.872 26 HH TYR 3 HH TYR 3 0.276 -1.884 3.403 27 H LYS 4 H LYS 4 7.552 1.771 6.042 28 HA LYS 4 HA LYS 4 10.211 1.493 4.707 29 HB2 LYS 4 HB2 LYS 4 9.499 3.832 4.552 30 HB3 LYS 4 HB3 LYS 4 9.207 3.880 6.286 31 HG2 LYS 4 HG2 LYS 4 11.732 3.184 6.412 32 HG3 LYS 4 HG3 LYS 4 11.779 3.884 4.792 33 HD2 LYS 4 HD2 LYS 4 10.402 5.482 6.858 34 HD3 LYS 4 HD3 LYS 4 12.149 5.310 7.047 35 HE2 LYS 4 HE2 LYS 4 11.495 7.309 5.739 36 HE3 LYS 4 HE3 LYS 4 12.526 6.196 4.843 37 HZ1 LYS 4 HZ1 LYS 4 9.653 5.819 4.563 38 HZ2 LYS 4 HZ2 LYS 4 10.881 5.682 3.408 39 HZ3 LYS 4 HZ3 LYS 4 10.299 7.209 3.846 40 H LEU 5 H LEU 5 11.775 0.614 5.911 41 HA LEU 5 HA LEU 5 11.167 0.246 8.819 42 HB2 LEU 5 HB2 LEU 5 11.124 -1.862 7.685 43 HB3 LEU 5 HB3 LEU 5 12.647 -1.520 6.867 44 HG LEU 5 HG LEU 5 13.553 -1.440 9.351 45 HD11 LEU 5 HD11 LEU 5 10.943 -2.856 9.529 46 HD12 LEU 5 HD12 LEU 5 11.741 -1.804 10.697 47 HD13 LEU 5 HD13 LEU 5 12.304 -3.460 10.473 48 HD21 LEU 5 HD21 LEU 5 13.320 -3.477 7.308 49 HD22 LEU 5 HD22 LEU 5 13.444 -4.179 8.921 50 HD23 LEU 5 HD23 LEU 5 14.687 -3.068 8.344 51 H VAL 6 H VAL 6 12.349 1.542 10.041 52 HA VAL 6 HA VAL 6 15.044 2.338 9.072 53 HB VAL 6 HB VAL 6 13.489 3.388 11.451 54 HG11 VAL 6 HG11 VAL 6 15.535 4.173 11.960 55 HG12 VAL 6 HG12 VAL 6 16.151 3.925 10.325 56 HG13 VAL 6 HG13 VAL 6 15.191 5.357 10.700 57 HG21 VAL 6 HG21 VAL 6 12.195 3.964 9.577 58 HG22 VAL 6 HG22 VAL 6 13.176 5.393 9.906 59 HG23 VAL 6 HG23 VAL 6 13.619 4.303 8.592 60 H ILE 7 H ILE 7 16.911 2.138 10.329 61 HA ILE 7 HA ILE 7 16.677 0.042 12.452 62 HB ILE 7 HB ILE 7 19.080 0.703 10.730 63 HG12 ILE 7 HG12 ILE 7 17.200 -1.666 10.613 64 HG13 ILE 7 HG13 ILE 7 17.234 -0.340 9.456 65 HG21 ILE 7 HG21 ILE 7 19.600 -0.162 12.987 66 HG22 ILE 7 HG22 ILE 7 18.633 -1.593 12.631 67 HG23 ILE 7 HG23 ILE 7 20.092 -1.260 11.698 68 HD11 ILE 7 HD11 ILE 7 18.382 -2.252 8.557 69 HD12 ILE 7 HD12 ILE 7 19.540 -0.957 8.864 70 HD13 ILE 7 HD13 ILE 7 19.433 -2.326 9.971 71 H ASN 8 H ASN 8 16.494 1.214 14.297 72 HA ASN 8 HA ASN 8 18.541 3.332 14.759 73 HB2 ASN 8 HB2 ASN 8 15.851 3.442 15.146 74 HB3 ASN 8 HB3 ASN 8 16.378 2.925 16.745 75 HD21 ASN 8 HD21 ASN 8 18.517 4.196 17.369 76 HD22 ASN 8 HD22 ASN 8 18.357 5.912 17.245 77 H GLY 9 H GLY 9 19.699 0.933 14.833 78 HA2 GLY 9 HA2 GLY 9 19.576 -0.193 17.533 79 HA3 GLY 9 HA3 GLY 9 20.641 -0.696 16.228 80 H LYS 10 H LYS 10 22.347 -0.852 17.775 81 HA LYS 10 HA LYS 10 23.209 1.596 19.127 82 HB2 LYS 10 HB2 LYS 10 23.539 -1.036 19.676 83 HB3 LYS 10 HB3 LYS 10 25.072 -0.703 18.880 84 HG2 LYS 10 HG2 LYS 10 25.727 -0.144 20.951 85 HG3 LYS 10 HG3 LYS 10 24.947 1.393 20.569 86 HD2 LYS 10 HD2 LYS 10 22.813 0.149 21.489 87 HD3 LYS 10 HD3 LYS 10 24.021 -0.831 22.323 88 HE2 LYS 10 HE2 LYS 10 23.889 0.768 23.897 89 HE3 LYS 10 HE3 LYS 10 24.954 1.665 22.815 90 HZ1 LYS 10 HZ1 LYS 10 22.976 2.923 23.590 91 HZ2 LYS 10 HZ2 LYS 10 21.993 1.846 22.733 92 HZ3 LYS 10 HZ3 LYS 10 23.101 2.820 21.906 93 H THR 11 H THR 11 24.849 -0.601 16.803 94 HA THR 11 HA THR 11 26.176 1.837 15.679 95 HB THR 11 HB THR 11 27.516 -0.781 15.301 96 HG1 THR 11 HG1 THR 11 28.491 -0.276 17.526 97 HG21 THR 11 HG21 THR 11 28.209 2.082 15.609 98 HG22 THR 11 HG22 THR 11 28.855 0.872 14.500 99 HG23 THR 11 HG23 THR 11 29.399 0.911 16.177 100 H LEU 12 H LEU 12 23.681 0.923 14.761 101 HA LEU 12 HA LEU 12 24.446 0.264 11.983 102 HB2 LEU 12 HB2 LEU 12 23.931 -1.878 13.227 103 HB3 LEU 12 HB3 LEU 12 22.277 -1.291 13.392 104 HG LEU 12 HG LEU 12 21.964 -1.356 11.004 105 HD11 LEU 12 HD11 LEU 12 24.905 -1.883 10.980 106 HD12 LEU 12 HD12 LEU 12 23.959 -0.752 10.013 107 HD13 LEU 12 HD13 LEU 12 23.886 -2.480 9.670 108 HD21 LEU 12 HD21 LEU 12 22.338 -3.579 12.634 109 HD22 LEU 12 HD22 LEU 12 23.190 -3.969 11.140 110 HD23 LEU 12 HD23 LEU 12 21.483 -3.525 11.092 111 H LYS 13 H LYS 13 23.605 1.863 10.843 112 HA LYS 13 HA LYS 13 20.782 2.634 11.440 113 HB2 LYS 13 HB2 LYS 13 22.809 4.656 10.510 114 HB3 LYS 13 HB3 LYS 13 21.251 4.927 11.281 115 HG2 LYS 13 HG2 LYS 13 22.541 3.565 13.227 116 HG3 LYS 13 HG3 LYS 13 23.887 4.417 12.467 117 HD2 LYS 13 HD2 LYS 13 23.307 6.230 13.619 118 HD3 LYS 13 HD3 LYS 13 21.815 6.294 12.677 119 HE2 LYS 13 HE2 LYS 13 20.798 6.091 14.666 120 HE3 LYS 13 HE3 LYS 13 21.216 4.384 14.524 121 HZ1 LYS 13 HZ1 LYS 13 23.240 4.818 15.777 122 HZ2 LYS 13 HZ2 LYS 13 21.874 5.268 16.666 123 HZ3 LYS 13 HZ3 LYS 13 22.826 6.452 15.922 124 H GLY 14 H GLY 14 19.477 3.080 9.697 125 HA2 GLY 14 HA2 GLY 14 20.295 3.661 7.084 126 HA3 GLY 14 HA3 GLY 14 20.294 1.907 7.196 127 H GLU 15 H GLU 15 18.672 2.844 5.356 128 HA GLU 15 HA GLU 15 15.984 2.692 6.659 129 HB2 GLU 15 HB2 GLU 15 17.039 4.549 4.593 130 HB3 GLU 15 HB3 GLU 15 15.411 3.939 4.334 131 HG2 GLU 15 HG2 GLU 15 14.558 5.249 5.911 132 HG3 GLU 15 HG3 GLU 15 15.829 4.833 7.060 133 H THR 16 H THR 16 14.564 1.239 5.880 134 HA THR 16 HA THR 16 15.357 -0.207 3.385 135 HB THR 16 HB THR 16 14.409 -1.398 6.001 136 HG1 THR 16 HG1 THR 16 16.704 -1.808 4.357 137 HG21 THR 16 HG21 THR 16 14.633 -3.580 4.592 138 HG22 THR 16 HG22 THR 16 14.342 -2.508 3.222 139 HG23 THR 16 HG23 THR 16 13.144 -2.640 4.509 140 H THR 17 H THR 17 13.882 0.789 2.065 141 HA THR 17 HA THR 17 11.041 0.788 2.914 142 HB THR 17 HB THR 17 10.611 2.285 1.162 143 HG1 THR 17 HG1 THR 17 11.505 1.337 -0.611 144 HG21 THR 17 HG21 THR 17 12.325 4.022 1.322 145 HG22 THR 17 HG22 THR 17 13.461 2.850 1.991 146 HG23 THR 17 HG23 THR 17 12.016 3.296 2.899 147 H THR 18 H THR 18 9.395 -0.270 1.834 148 HA THR 18 HA THR 18 10.010 -1.919 -0.506 149 HB THR 18 HB THR 18 10.801 -3.298 1.462 150 HG1 THR 18 HG1 THR 18 10.268 -4.952 0.252 151 HG21 THR 18 HG21 THR 18 8.681 -2.465 2.807 152 HG22 THR 18 HG22 THR 18 9.383 -4.057 3.098 153 HG23 THR 18 HG23 THR 18 7.950 -3.897 2.083 154 H LYS 19 H LYS 19 7.963 -3.545 -0.748 155 HA LYS 19 HA LYS 19 5.543 -1.881 -0.184 156 HB2 LYS 19 HB2 LYS 19 4.750 -2.131 -2.366 157 HB3 LYS 19 HB3 LYS 19 6.470 -1.848 -2.606 158 HG2 LYS 19 HG2 LYS 19 6.364 -4.569 -2.422 159 HG3 LYS 19 HG3 LYS 19 4.843 -4.190 -3.232 160 HD2 LYS 19 HD2 LYS 19 7.560 -3.208 -4.104 161 HD3 LYS 19 HD3 LYS 19 6.706 -4.583 -4.810 162 HE2 LYS 19 HE2 LYS 19 4.800 -2.969 -5.269 163 HE3 LYS 19 HE3 LYS 19 5.928 -1.677 -4.863 164 HZ1 LYS 19 HZ1 LYS 19 5.725 -3.229 -7.260 165 HZ2 LYS 19 HZ2 LYS 19 7.300 -3.212 -6.644 166 HZ3 LYS 19 HZ3 LYS 19 6.513 -1.756 -6.994 167 H ALA 20 H ALA 20 3.588 -2.984 0.125 168 HA ALA 20 HA ALA 20 3.493 -5.887 -0.031 169 HB1 ALA 20 HB1 ALA 20 2.885 -5.454 2.696 170 HB2 ALA 20 HB2 ALA 20 4.198 -6.411 2.008 171 HB3 ALA 20 HB3 ALA 20 4.455 -4.709 2.393 172 H VAL 21 H VAL 21 1.406 -6.753 0.432 173 HA VAL 21 HA VAL 21 -0.703 -4.753 -0.023 174 HB VAL 21 HB VAL 21 -2.189 -6.759 -0.196 175 HG11 VAL 21 HG11 VAL 21 -1.558 -6.201 -2.295 176 HG12 VAL 21 HG12 VAL 21 0.163 -6.229 -1.903 177 HG13 VAL 21 HG13 VAL 21 -0.700 -7.739 -2.200 178 HG21 VAL 21 HG21 VAL 21 -1.536 -8.681 0.707 179 HG22 VAL 21 HG22 VAL 21 -0.283 -8.800 -0.529 180 HG23 VAL 21 HG23 VAL 21 0.074 -8.031 1.018 181 H ASP 22 H ASP 22 0.838 -5.833 2.662 182 HA ASP 22 HA ASP 22 -1.118 -4.798 4.453 183 HB2 ASP 22 HB2 ASP 22 -1.808 -6.865 5.610 184 HB3 ASP 22 HB3 ASP 22 -2.369 -6.843 3.940 185 H ALA 23 H ALA 23 -0.210 -4.336 6.381 186 HA ALA 23 HA ALA 23 2.562 -4.453 6.715 187 HB1 ALA 23 HB1 ALA 23 2.148 -3.312 8.595 188 HB2 ALA 23 HB2 ALA 23 0.452 -3.390 8.116 189 HB3 ALA 23 HB3 ALA 23 1.103 -4.574 9.249 190 H GLU 24 H GLU 24 0.081 -6.710 7.952 191 HA GLU 24 HA GLU 24 1.705 -8.340 9.536 192 HB2 GLU 24 HB2 GLU 24 -0.634 -8.736 9.525 193 HB3 GLU 24 HB3 GLU 24 -0.669 -8.986 7.785 194 HG2 GLU 24 HG2 GLU 24 0.459 -11.085 7.999 195 HG3 GLU 24 HG3 GLU 24 0.729 -10.815 9.720 196 H THR 25 H THR 25 1.483 -8.147 6.034 197 HA THR 25 HA THR 25 3.076 -10.592 5.663 198 HB THR 25 HB THR 25 2.021 -8.517 3.726 199 HG1 THR 25 HG1 THR 25 1.406 -11.285 3.995 200 HG21 THR 25 HG21 THR 25 3.968 -10.731 3.334 201 HG22 THR 25 HG22 THR 25 3.848 -9.173 2.516 202 HG23 THR 25 HG23 THR 25 2.744 -10.480 2.091 203 H ALA 26 H ALA 26 3.476 -7.080 5.036 204 HA ALA 26 HA ALA 26 6.157 -7.219 4.138 205 HB1 ALA 26 HB1 ALA 26 4.279 -5.219 4.630 206 HB2 ALA 26 HB2 ALA 26 5.646 -4.815 5.670 207 HB3 ALA 26 HB3 ALA 26 5.888 -5.018 3.935 208 H GLU 27 H GLU 27 4.789 -7.311 7.371 209 HA GLU 27 HA GLU 27 6.988 -6.561 8.925 210 HB2 GLU 27 HB2 GLU 27 4.888 -7.052 9.966 211 HB3 GLU 27 HB3 GLU 27 4.907 -8.709 9.379 212 HG2 GLU 27 HG2 GLU 27 6.498 -9.377 10.921 213 HG3 GLU 27 HG3 GLU 27 7.059 -7.730 11.204 214 H LYS 28 H LYS 28 6.270 -9.749 7.483 215 HA LYS 28 HA LYS 28 8.537 -11.083 8.604 216 HB2 LYS 28 HB2 LYS 28 6.389 -11.706 6.854 217 HB3 LYS 28 HB3 LYS 28 7.870 -12.152 6.018 218 HG2 LYS 28 HG2 LYS 28 8.238 -13.898 7.358 219 HG3 LYS 28 HG3 LYS 28 7.808 -12.994 8.812 220 HD2 LYS 28 HD2 LYS 28 6.247 -14.812 8.501 221 HD3 LYS 28 HD3 LYS 28 5.420 -13.275 8.237 222 HE2 LYS 28 HE2 LYS 28 6.620 -14.618 5.878 223 HE3 LYS 28 HE3 LYS 28 5.168 -15.337 6.574 224 HZ1 LYS 28 HZ1 LYS 28 4.402 -12.819 6.468 225 HZ2 LYS 28 HZ2 LYS 28 4.197 -13.880 5.167 226 HZ3 LYS 28 HZ3 LYS 28 5.498 -12.798 5.180 227 H ALA 29 H ALA 29 8.096 -9.086 5.729 228 HA ALA 29 HA ALA 29 10.541 -9.793 4.424 229 HB1 ALA 29 HB1 ALA 29 8.615 -8.562 3.404 230 HB2 ALA 29 HB2 ALA 29 9.127 -7.126 4.292 231 HB3 ALA 29 HB3 ALA 29 10.193 -7.842 3.084 232 H PHE 30 H PHE 30 9.714 -7.208 6.750 233 HA PHE 30 HA PHE 30 12.386 -6.092 6.728 234 HB2 PHE 30 HB2 PHE 30 10.079 -5.791 8.674 235 HB3 PHE 30 HB3 PHE 30 11.574 -4.866 8.764 236 HD1 PHE 30 HD2 PHE 30 12.072 -4.275 5.930 237 HD2 PHE 30 HD1 PHE 30 8.447 -4.232 8.161 238 HE1 PHE 30 HE2 PHE 30 11.137 -2.615 4.373 239 HE2 PHE 30 HE1 PHE 30 7.507 -2.572 6.607 240 HZ PHE 30 HZ PHE 30 8.852 -1.760 4.711 241 H LYS 31 H LYS 31 10.614 -8.368 8.811 242 HA LYS 31 HA LYS 31 12.570 -8.572 10.862 243 HB2 LYS 31 HB2 LYS 31 10.152 -9.512 10.723 244 HB3 LYS 31 HB3 LYS 31 10.894 -10.908 9.952 245 HG2 LYS 31 HG2 LYS 31 11.717 -11.688 11.879 246 HG3 LYS 31 HG3 LYS 31 12.202 -10.084 12.435 247 HD2 LYS 31 HD2 LYS 31 9.334 -10.294 12.377 248 HD3 LYS 31 HD3 LYS 31 10.025 -11.619 13.317 249 HE2 LYS 31 HE2 LYS 31 11.153 -10.115 14.766 250 HE3 LYS 31 HE3 LYS 31 10.815 -8.742 13.713 251 HZ1 LYS 31 HZ1 LYS 31 9.388 -8.908 15.737 252 HZ2 LYS 31 HZ2 LYS 31 8.695 -10.302 15.076 253 HZ3 LYS 31 HZ3 LYS 31 8.533 -8.819 14.279 254 H GLN 32 H GLN 32 12.611 -9.642 7.596 255 HA GLN 32 HA GLN 32 14.567 -11.780 8.090 256 HB2 GLN 32 HB2 GLN 32 12.731 -11.455 6.156 257 HB3 GLN 32 HB3 GLN 32 14.104 -10.708 5.349 258 HG2 GLN 32 HG2 GLN 32 14.449 -13.378 6.620 259 HG3 GLN 32 HG3 GLN 32 13.606 -13.257 5.076 260 HE21 GLN 32 HE21 GLN 32 15.960 -14.660 5.339 261 HE22 GLN 32 HE22 GLN 32 17.212 -13.845 4.470 262 H TYR 33 H TYR 33 14.554 -8.383 7.533 263 HA TYR 33 HA TYR 33 17.285 -8.342 6.438 264 HB2 TYR 33 HB2 TYR 33 15.420 -6.694 5.846 265 HB3 TYR 33 HB3 TYR 33 15.682 -5.976 7.431 266 HD1 TYR 33 HD2 TYR 33 17.602 -6.959 4.379 267 HD2 TYR 33 HD1 TYR 33 17.178 -4.223 7.610 268 HE1 TYR 33 HE2 TYR 33 19.421 -5.589 3.450 269 HE2 TYR 33 HE1 TYR 33 18.996 -2.845 6.689 270 HH TYR 33 HH TYR 33 20.044 -2.961 3.675 271 H ALA 34 H ALA 34 15.714 -6.843 9.304 272 HA ALA 34 HA ALA 34 18.031 -6.097 10.659 273 HB1 ALA 34 HB1 ALA 34 16.323 -5.325 11.880 274 HB2 ALA 34 HB2 ALA 34 15.246 -6.628 11.375 275 HB3 ALA 34 HB3 ALA 34 16.373 -6.882 12.708 276 H ASN 35 H ASN 35 16.293 -9.225 10.890 277 HA ASN 35 HA ASN 35 17.988 -10.421 12.805 278 HB2 ASN 35 HB2 ASN 35 15.843 -11.386 12.084 279 HB3 ASN 35 HB3 ASN 35 16.521 -11.739 10.497 280 HD21 ASN 35 HD21 ASN 35 15.746 -13.913 11.137 281 HD22 ASN 35 HD22 ASN 35 16.833 -14.926 12.018 282 H ASP 36 H ASP 36 18.386 -9.960 9.338 283 HA ASP 36 HA ASP 36 20.767 -11.698 9.282 284 HB2 ASP 36 HB2 ASP 36 18.911 -11.080 7.391 285 HB3 ASP 36 HB3 ASP 36 20.182 -9.935 6.973 286 H ASN 37 H ASN 37 20.088 -8.588 10.266 287 HA ASN 37 HA ASN 37 22.852 -7.683 9.560 288 HB2 ASN 37 HB2 ASN 37 20.281 -6.142 9.945 289 HB3 ASN 37 HB3 ASN 37 21.854 -5.356 10.052 290 HD21 ASN 37 HD21 ASN 37 19.364 -6.154 8.033 291 HD22 ASN 37 HD22 ASN 37 20.171 -5.987 6.514 292 H GLY 38 H GLY 38 21.964 -9.389 11.822 293 HA2 GLY 38 HA2 GLY 38 22.298 -9.514 14.110 294 HA3 GLY 38 HA3 GLY 38 23.570 -8.328 13.851 295 H VAL 39 H VAL 39 20.011 -8.127 13.575 296 HA VAL 39 HA VAL 39 20.117 -6.000 15.678 297 HB VAL 39 HB VAL 39 18.269 -5.988 13.280 298 HG11 VAL 39 HG11 VAL 39 18.870 -3.898 15.370 299 HG12 VAL 39 HG12 VAL 39 17.796 -3.693 13.986 300 HG13 VAL 39 HG13 VAL 39 17.393 -4.853 15.252 301 HG21 VAL 39 HG21 VAL 39 20.290 -5.535 12.268 302 HG22 VAL 39 HG22 VAL 39 19.763 -3.916 12.730 303 HG23 VAL 39 HG23 VAL 39 20.961 -4.767 13.706 304 H ASP 40 H ASP 40 18.646 -6.106 17.273 305 HA ASP 40 HA ASP 40 16.157 -7.582 16.951 306 HB2 ASP 40 HB2 ASP 40 17.886 -9.392 17.338 307 HB3 ASP 40 HB3 ASP 40 18.160 -8.696 18.933 308 H GLY 41 H GLY 41 14.638 -6.954 18.405 309 HA2 GLY 41 HA2 GLY 41 15.008 -6.100 21.022 310 HA3 GLY 41 HA3 GLY 41 15.300 -4.665 20.052 311 H VAL 42 H VAL 42 13.607 -3.369 20.005 312 HA VAL 42 HA VAL 42 10.912 -4.551 20.313 313 HB VAL 42 HB VAL 42 11.476 -1.610 20.017 314 HG11 VAL 42 HG11 VAL 42 9.274 -3.326 20.960 315 HG12 VAL 42 HG12 VAL 42 9.579 -1.872 21.914 316 HG13 VAL 42 HG13 VAL 42 9.230 -1.740 20.190 317 HG21 VAL 42 HG21 VAL 42 11.475 -1.844 22.672 318 HG22 VAL 42 HG22 VAL 42 12.220 -3.390 22.266 319 HG23 VAL 42 HG23 VAL 42 12.958 -1.885 21.718 320 H TRP 43 H TRP 43 9.117 -3.724 18.965 321 HA TRP 43 HA TRP 43 9.959 -2.901 16.241 322 HB2 TRP 43 HB2 TRP 43 8.555 -5.469 16.950 323 HB3 TRP 43 HB3 TRP 43 8.254 -4.693 15.398 324 HD1 TRP 43 HD1 TRP 43 11.286 -6.007 17.434 325 HE1 TRP 43 HE1 TRP 43 13.031 -6.898 15.765 326 HE3 TRP 43 HE3 TRP 43 8.934 -4.774 13.065 327 HZ2 TRP 43 HZ2 TRP 43 13.366 -7.057 12.967 328 HZ3 TRP 43 HZ3 TRP 43 10.035 -5.330 10.936 329 HH2 TRP 43 HH2 TRP 43 12.205 -6.447 10.890 330 H THR 44 H THR 44 8.978 -0.926 16.495 331 HA THR 44 HA THR 44 6.151 -0.846 17.336 332 HB THR 44 HB THR 44 6.525 1.678 16.781 333 HG1 THR 44 HG1 THR 44 8.689 0.932 15.778 334 HG21 THR 44 HG21 THR 44 7.790 1.939 18.983 335 HG22 THR 44 HG22 THR 44 7.811 0.177 19.049 336 HG23 THR 44 HG23 THR 44 6.274 1.040 19.037 337 H TYR 45 H TYR 45 4.597 -1.250 15.925 338 HA TYR 45 HA TYR 45 5.013 -0.298 13.117 339 HB2 TYR 45 HB2 TYR 45 4.881 -2.535 12.702 340 HB3 TYR 45 HB3 TYR 45 4.029 -2.880 14.203 341 HD1 TYR 45 HD1 TYR 45 3.377 -1.027 11.015 342 HD2 TYR 45 HD2 TYR 45 1.890 -3.695 13.977 343 HE1 TYR 45 HE1 TYR 45 1.269 -1.233 9.763 344 HE2 TYR 45 HE2 TYR 45 -0.221 -3.909 12.733 345 HH TYR 45 HH TYR 45 -1.504 -2.858 11.090 346 H ASP 46 H ASP 46 3.538 1.028 12.270 347 HA ASP 46 HA ASP 46 0.988 1.366 13.799 348 HB2 ASP 46 HB2 ASP 46 2.481 3.278 14.182 349 HB3 ASP 46 HB3 ASP 46 2.641 3.520 12.445 350 H ASP 47 H ASP 47 -0.761 0.912 12.665 351 HA ASP 47 HA ASP 47 -0.553 0.497 9.783 352 HB2 ASP 47 HB2 ASP 47 -2.802 -0.320 9.924 353 HB3 ASP 47 HB3 ASP 47 -1.951 -0.903 11.352 354 H ALA 48 H ALA 48 -0.773 3.233 11.566 355 HA ALA 48 HA ALA 48 -2.732 4.567 9.772 356 HB1 ALA 48 HB1 ALA 48 -1.690 6.440 11.577 357 HB2 ALA 48 HB2 ALA 48 -3.255 5.628 11.656 358 HB3 ALA 48 HB3 ALA 48 -1.864 4.945 12.498 359 H THR 49 H THR 49 0.507 5.338 11.134 360 HA THR 49 HA THR 49 1.059 6.883 8.650 361 HB THR 49 HB THR 49 2.957 6.837 10.965 362 HG1 THR 49 HG1 THR 49 0.399 8.068 10.931 363 HG21 THR 49 HG21 THR 49 3.420 8.100 8.874 364 HG22 THR 49 HG22 THR 49 3.338 9.129 10.305 365 HG23 THR 49 HG23 THR 49 1.980 9.069 9.182 366 H LYS 50 H LYS 50 1.058 3.973 8.649 367 HA LYS 50 HA LYS 50 2.625 2.173 8.483 368 HB2 LYS 50 HB2 LYS 50 2.529 4.029 6.179 369 HB3 LYS 50 HB3 LYS 50 3.852 2.871 6.152 370 HG2 LYS 50 HG2 LYS 50 2.362 1.531 5.164 371 HG3 LYS 50 HG3 LYS 50 1.767 1.264 6.804 372 HD2 LYS 50 HD2 LYS 50 -0.210 1.928 5.969 373 HD3 LYS 50 HD3 LYS 50 0.461 3.554 6.110 374 HE2 LYS 50 HE2 LYS 50 1.109 2.046 3.647 375 HE3 LYS 50 HE3 LYS 50 -0.560 2.582 3.834 376 HZ1 LYS 50 HZ1 LYS 50 0.634 4.821 4.447 377 HZ2 LYS 50 HZ2 LYS 50 0.336 4.400 2.836 378 HZ3 LYS 50 HZ3 LYS 50 1.875 4.169 3.500 379 H THR 51 H THR 51 3.891 2.981 10.433 380 HA THR 51 HA THR 51 6.635 3.760 9.521 381 HB THR 51 HB THR 51 5.238 4.365 12.141 382 HG1 THR 51 HG1 THR 51 4.967 6.270 11.265 383 HG21 THR 51 HG21 THR 51 7.290 4.209 13.049 384 HG22 THR 51 HG22 THR 51 7.612 5.722 12.202 385 HG23 THR 51 HG23 THR 51 8.086 4.186 11.476 386 H PHE 52 H PHE 52 8.116 2.232 9.702 387 HA PHE 52 HA PHE 52 7.708 0.164 11.826 388 HB2 PHE 52 HB2 PHE 52 8.228 -0.101 8.937 389 HB3 PHE 52 HB3 PHE 52 9.285 -1.078 9.951 390 HD1 PHE 52 HD2 PHE 52 8.367 -2.837 11.372 391 HD2 PHE 52 HD1 PHE 52 5.887 -0.568 8.762 392 HE1 PHE 52 HE2 PHE 52 6.585 -4.516 11.611 393 HE2 PHE 52 HE1 PHE 52 4.100 -2.243 8.997 394 HZ PHE 52 HZ PHE 52 4.449 -4.221 10.422 395 H THR 53 H THR 53 9.219 0.157 13.332 396 HA THR 53 HA THR 53 11.970 1.018 12.539 397 HB THR 53 HB THR 53 10.715 1.640 15.222 398 HG1 THR 53 HG1 THR 53 9.868 2.744 13.165 399 HG21 THR 53 HG21 THR 53 12.686 3.433 14.881 400 HG22 THR 53 HG22 THR 53 13.343 2.092 13.942 401 HG23 THR 53 HG23 THR 53 12.934 1.863 15.642 402 H VAL 54 H VAL 54 13.703 0.124 13.764 403 HA VAL 54 HA VAL 54 12.941 -2.243 15.416 404 HB VAL 54 HB VAL 54 15.019 -2.231 13.211 405 HG11 VAL 54 HG11 VAL 54 15.803 -3.497 15.130 406 HG12 VAL 54 HG12 VAL 54 14.284 -4.392 15.184 407 HG13 VAL 54 HG13 VAL 54 15.375 -4.586 13.811 408 HG21 VAL 54 HG21 VAL 54 12.678 -2.436 12.449 409 HG22 VAL 54 HG22 VAL 54 13.624 -3.892 12.142 410 HG23 VAL 54 HG23 VAL 54 12.486 -3.847 13.489 411 H THR 55 H THR 55 13.475 -1.072 17.279 412 HA THR 55 HA THR 55 16.294 -0.154 17.493 413 HB THR 55 HB THR 55 14.116 0.131 19.575 414 HG1 THR 55 HG1 THR 55 13.267 1.351 18.023 415 HG21 THR 55 HG21 THR 55 16.835 0.617 19.690 416 HG22 THR 55 HG22 THR 55 15.613 1.298 20.764 417 HG23 THR 55 HG23 THR 55 16.147 2.204 19.349 418 H GLU 56 H GLU 56 17.800 -1.094 18.758 419 HA GLU 56 HA GLU 56 17.109 -3.743 19.847 420 HB2 GLU 56 HB2 GLU 56 19.732 -2.251 19.578 421 HB3 GLU 56 HB3 GLU 56 19.588 -3.854 20.286 422 HG2 GLU 56 HG2 GLU 56 18.367 -4.348 17.987 423 HG3 GLU 56 HG3 GLU 56 19.371 -2.998 17.460 Start of MODEL 43 1 H1 MET 1 H MET 1 0.083 -1.266 1.410 2 HA MET 1 HA MET 1 0.951 -1.587 -0.667 3 HB2 MET 1 HB2 MET 1 -0.570 0.124 -1.382 4 HB3 MET 1 HB3 MET 1 0.488 1.394 -0.782 5 HG2 MET 1 HG2 MET 1 2.163 0.763 -2.468 6 HG3 MET 1 HG3 MET 1 1.050 -0.454 -3.089 7 HE1 MET 1 HE1 MET 1 2.109 0.897 -5.032 8 HE2 MET 1 HE2 MET 1 0.545 0.815 -5.844 9 HE3 MET 1 HE3 MET 1 1.395 2.356 -5.719 10 H GLN 2 H GLN 2 2.417 0.802 1.403 11 HA GLN 2 HA GLN 2 5.068 -0.122 0.522 12 HB2 GLN 2 HB2 GLN 2 4.035 2.184 -0.632 13 HB3 GLN 2 HB3 GLN 2 5.033 2.799 0.679 14 HG2 GLN 2 HG2 GLN 2 6.977 1.828 -0.192 15 HG3 GLN 2 HG3 GLN 2 6.066 0.773 -1.273 16 HE21 GLN 2 HE21 GLN 2 7.093 4.065 -0.680 17 HE22 GLN 2 HE22 GLN 2 6.884 4.626 -2.300 18 H TYR 3 H TYR 3 6.231 -0.493 2.272 19 HA TYR 3 HA TYR 3 5.711 1.230 4.662 20 HB2 TYR 3 HB2 TYR 3 6.542 -1.669 4.831 21 HB3 TYR 3 HB3 TYR 3 5.883 -0.643 6.100 22 HD1 TYR 3 HD1 TYR 3 3.484 -0.142 6.175 23 HD2 TYR 3 HD2 TYR 3 5.102 -2.763 3.239 24 HE1 TYR 3 HE1 TYR 3 1.223 -0.977 5.682 25 HE2 TYR 3 HE2 TYR 3 2.845 -3.604 2.738 26 HH TYR 3 HH TYR 3 0.079 -2.714 4.680 27 H LYS 4 H LYS 4 7.449 1.891 5.867 28 HA LYS 4 HA LYS 4 10.112 1.258 4.657 29 HB2 LYS 4 HB2 LYS 4 9.454 3.606 4.393 30 HB3 LYS 4 HB3 LYS 4 9.198 3.748 6.128 31 HG2 LYS 4 HG2 LYS 4 11.683 3.040 6.303 32 HG3 LYS 4 HG3 LYS 4 11.759 3.528 4.608 33 HD2 LYS 4 HD2 LYS 4 10.475 5.402 6.518 34 HD3 LYS 4 HD3 LYS 4 12.229 5.225 6.606 35 HE2 LYS 4 HE2 LYS 4 12.030 5.508 3.987 36 HE3 LYS 4 HE3 LYS 4 10.528 6.321 4.423 37 HZ1 LYS 4 HZ1 LYS 4 11.876 8.090 4.606 38 HZ2 LYS 4 HZ2 LYS 4 13.272 7.162 4.829 39 HZ3 LYS 4 HZ3 LYS 4 12.232 7.451 6.132 40 H LEU 5 H LEU 5 11.661 0.390 5.887 41 HA LEU 5 HA LEU 5 10.998 0.003 8.769 42 HB2 LEU 5 HB2 LEU 5 11.321 -2.052 7.589 43 HB3 LEU 5 HB3 LEU 5 12.829 -1.477 6.879 44 HG LEU 5 HG LEU 5 13.646 -1.378 9.347 45 HD11 LEU 5 HD11 LEU 5 12.539 -3.370 10.572 46 HD12 LEU 5 HD12 LEU 5 11.163 -3.035 9.523 47 HD13 LEU 5 HD13 LEU 5 11.758 -1.789 10.620 48 HD21 LEU 5 HD21 LEU 5 14.888 -3.045 8.579 49 HD22 LEU 5 HD22 LEU 5 13.705 -3.347 7.307 50 HD23 LEU 5 HD23 LEU 5 13.563 -4.174 8.859 51 H VAL 6 H VAL 6 11.973 1.265 10.186 52 HA VAL 6 HA VAL 6 14.626 2.415 9.425 53 HB VAL 6 HB VAL 6 12.594 3.393 11.449 54 HG11 VAL 6 HG11 VAL 6 14.795 3.897 12.254 55 HG12 VAL 6 HG12 VAL 6 15.291 4.487 10.667 56 HG13 VAL 6 HG13 VAL 6 14.090 5.377 11.604 57 HG21 VAL 6 HG21 VAL 6 13.085 5.366 9.559 58 HG22 VAL 6 HG22 VAL 6 12.976 3.877 8.620 59 HG23 VAL 6 HG23 VAL 6 11.646 4.354 9.676 60 H ILE 7 H ILE 7 16.346 1.557 10.352 61 HA ILE 7 HA ILE 7 15.966 0.095 12.920 62 HB ILE 7 HB ILE 7 18.275 0.033 10.961 63 HG12 ILE 7 HG12 ILE 7 16.577 -2.339 11.541 64 HG13 ILE 7 HG13 ILE 7 15.872 -1.073 10.542 65 HG21 ILE 7 HG21 ILE 7 17.787 -1.447 13.535 66 HG22 ILE 7 HG22 ILE 7 18.964 -1.963 12.329 67 HG23 ILE 7 HG23 ILE 7 19.146 -0.400 13.126 68 HD11 ILE 7 HD11 ILE 7 17.603 -3.141 9.762 69 HD12 ILE 7 HD12 ILE 7 16.966 -1.823 8.778 70 HD13 ILE 7 HD13 ILE 7 18.507 -1.635 9.614 71 H ASN 8 H ASN 8 16.871 0.730 14.781 72 HA ASN 8 HA ASN 8 18.710 3.087 14.630 73 HB2 ASN 8 HB2 ASN 8 16.246 2.671 16.104 74 HB3 ASN 8 HB3 ASN 8 17.580 3.000 17.206 75 HD21 ASN 8 HD21 ASN 8 19.090 4.801 16.163 76 HD22 ASN 8 HD22 ASN 8 18.234 6.232 15.712 77 H GLY 9 H GLY 9 20.395 1.391 14.422 78 HA2 GLY 9 HA2 GLY 9 20.908 -0.074 16.949 79 HA3 GLY 9 HA3 GLY 9 21.737 -0.313 15.418 80 H LYS 10 H LYS 10 23.369 -0.282 17.452 81 HA LYS 10 HA LYS 10 24.219 2.425 18.146 82 HB2 LYS 10 HB2 LYS 10 25.054 -0.354 18.806 83 HB3 LYS 10 HB3 LYS 10 26.294 0.888 18.925 84 HG2 LYS 10 HG2 LYS 10 24.680 2.182 20.374 85 HG3 LYS 10 HG3 LYS 10 23.694 0.719 20.419 86 HD2 LYS 10 HD2 LYS 10 25.104 -0.336 21.824 87 HD3 LYS 10 HD3 LYS 10 26.540 0.313 21.028 88 HE2 LYS 10 HE2 LYS 10 25.843 2.550 22.120 89 HE3 LYS 10 HE3 LYS 10 24.842 1.546 23.168 90 HZ1 LYS 10 HZ1 LYS 10 27.531 0.579 22.919 91 HZ2 LYS 10 HZ2 LYS 10 26.613 0.870 24.310 92 HZ3 LYS 10 HZ3 LYS 10 27.458 2.138 23.575 93 H THR 11 H THR 11 25.032 -0.005 15.755 94 HA THR 11 HA THR 11 27.185 1.819 14.756 95 HB THR 11 HB THR 11 28.286 -0.117 13.772 96 HG1 THR 11 HG1 THR 11 26.757 -1.597 13.328 97 HG21 THR 11 HG21 THR 11 27.922 0.277 16.592 98 HG22 THR 11 HG22 THR 11 29.362 -0.246 15.719 99 HG23 THR 11 HG23 THR 11 28.176 -1.435 16.257 100 H LEU 12 H LEU 12 24.820 -0.674 13.715 101 HA LEU 12 HA LEU 12 24.869 0.322 10.972 102 HB2 LEU 12 HB2 LEU 12 24.457 -2.065 11.692 103 HB3 LEU 12 HB3 LEU 12 22.862 -1.547 12.234 104 HG LEU 12 HG LEU 12 22.234 -0.985 9.966 105 HD11 LEU 12 HD11 LEU 12 24.333 -0.201 9.098 106 HD12 LEU 12 HD12 LEU 12 23.754 -1.526 8.088 107 HD13 LEU 12 HD13 LEU 12 25.045 -1.807 9.257 108 HD21 LEU 12 HD21 LEU 12 21.670 -3.098 9.543 109 HD22 LEU 12 HD22 LEU 12 22.641 -3.535 10.948 110 HD23 LEU 12 HD23 LEU 12 23.351 -3.588 9.334 111 H LYS 13 H LYS 13 23.634 1.825 10.061 112 HA LYS 13 HA LYS 13 21.012 2.475 11.231 113 HB2 LYS 13 HB2 LYS 13 23.396 4.258 11.424 114 HB3 LYS 13 HB3 LYS 13 21.856 5.009 11.024 115 HG2 LYS 13 HG2 LYS 13 21.001 3.637 13.084 116 HG3 LYS 13 HG3 LYS 13 22.709 3.644 13.528 117 HD2 LYS 13 HD2 LYS 13 22.211 6.262 12.789 118 HD3 LYS 13 HD3 LYS 13 20.744 5.783 13.646 119 HE2 LYS 13 HE2 LYS 13 22.781 4.762 15.209 120 HE3 LYS 13 HE3 LYS 13 23.415 6.314 14.665 121 HZ1 LYS 13 HZ1 LYS 13 21.465 5.799 16.634 122 HZ2 LYS 13 HZ2 LYS 13 20.774 6.735 15.406 123 HZ3 LYS 13 HZ3 LYS 13 22.167 7.276 16.200 124 H GLY 14 H GLY 14 20.260 1.663 9.230 125 HA2 GLY 14 HA2 GLY 14 20.612 3.651 7.033 126 HA3 GLY 14 HA3 GLY 14 20.751 1.931 6.703 127 H GLU 15 H GLU 15 18.995 3.003 5.158 128 HA GLU 15 HA GLU 15 16.355 2.714 6.526 129 HB2 GLU 15 HB2 GLU 15 17.315 4.314 4.192 130 HB3 GLU 15 HB3 GLU 15 15.653 3.742 4.168 131 HG2 GLU 15 HG2 GLU 15 16.932 5.483 6.261 132 HG3 GLU 15 HG3 GLU 15 15.726 5.964 5.069 133 H THR 16 H THR 16 14.708 1.462 5.586 134 HA THR 16 HA THR 16 15.516 -0.298 3.336 135 HB THR 16 HB THR 16 14.614 -1.306 6.047 136 HG1 THR 16 HG1 THR 16 16.627 -2.007 6.206 137 HG21 THR 16 HG21 THR 16 15.040 -3.552 4.637 138 HG22 THR 16 HG22 THR 16 14.426 -2.512 3.351 139 HG23 THR 16 HG23 THR 16 13.453 -2.801 4.793 140 H THR 17 H THR 17 13.994 0.630 2.008 141 HA THR 17 HA THR 17 11.176 0.612 2.951 142 HB THR 17 HB THR 17 10.665 2.099 1.223 143 HG1 THR 17 HG1 THR 17 11.712 2.170 -0.686 144 HG21 THR 17 HG21 THR 17 13.480 3.007 1.425 145 HG22 THR 17 HG22 THR 17 12.598 2.796 2.938 146 HG23 THR 17 HG23 THR 17 11.981 3.893 1.703 147 H THR 18 H THR 18 9.556 -0.562 2.006 148 HA THR 18 HA THR 18 10.126 -2.186 -0.372 149 HB THR 18 HB THR 18 9.250 -3.731 2.052 150 HG1 THR 18 HG1 THR 18 11.934 -3.158 1.281 151 HG21 THR 18 HG21 THR 18 9.016 -5.133 0.276 152 HG22 THR 18 HG22 THR 18 10.732 -5.405 0.577 153 HG23 THR 18 HG23 THR 18 10.225 -4.288 -0.689 154 H LYS 19 H LYS 19 8.215 -3.492 -1.034 155 HA LYS 19 HA LYS 19 5.730 -2.057 -0.195 156 HB2 LYS 19 HB2 LYS 19 4.884 -2.351 -2.376 157 HB3 LYS 19 HB3 LYS 19 6.566 -1.892 -2.610 158 HG2 LYS 19 HG2 LYS 19 6.620 -4.663 -2.480 159 HG3 LYS 19 HG3 LYS 19 5.175 -4.287 -3.423 160 HD2 LYS 19 HD2 LYS 19 7.926 -3.171 -3.967 161 HD3 LYS 19 HD3 LYS 19 7.214 -4.549 -4.811 162 HE2 LYS 19 HE2 LYS 19 5.253 -2.888 -5.267 163 HE3 LYS 19 HE3 LYS 19 6.467 -1.656 -4.922 164 HZ1 LYS 19 HZ1 LYS 19 6.829 -3.801 -6.939 165 HZ2 LYS 19 HZ2 LYS 19 7.817 -2.451 -6.692 166 HZ3 LYS 19 HZ3 LYS 19 6.254 -2.254 -7.309 167 H ALA 20 H ALA 20 3.812 -3.208 0.134 168 HA ALA 20 HA ALA 20 3.734 -6.094 -0.121 169 HB1 ALA 20 HB1 ALA 20 3.304 -6.217 2.506 170 HB2 ALA 20 HB2 ALA 20 4.905 -6.439 1.800 171 HB3 ALA 20 HB3 ALA 20 4.456 -4.882 2.495 172 H VAL 21 H VAL 21 1.683 -7.006 0.492 173 HA VAL 21 HA VAL 21 -0.493 -5.211 -0.062 174 HB VAL 21 HB VAL 21 -1.940 -7.166 0.476 175 HG11 VAL 21 HG11 VAL 21 0.386 -7.439 -1.393 176 HG12 VAL 21 HG12 VAL 21 -0.837 -8.706 -1.275 177 HG13 VAL 21 HG13 VAL 21 -1.300 -7.074 -1.759 178 HG21 VAL 21 HG21 VAL 21 -0.341 -9.325 0.699 179 HG22 VAL 21 HG22 VAL 21 0.591 -8.147 1.624 180 HG23 VAL 21 HG23 VAL 21 -1.076 -8.503 2.077 181 H ASP 22 H ASP 22 0.757 -6.721 2.907 182 HA ASP 22 HA ASP 22 -0.595 -4.645 4.484 183 HB2 ASP 22 HB2 ASP 22 -1.528 -6.514 6.031 184 HB3 ASP 22 HB3 ASP 22 -2.418 -6.106 4.566 185 H ALA 23 H ALA 23 0.065 -4.654 6.751 186 HA ALA 23 HA ALA 23 2.849 -4.967 7.043 187 HB1 ALA 23 HB1 ALA 23 2.100 -5.015 9.604 188 HB2 ALA 23 HB2 ALA 23 2.027 -3.552 8.620 189 HB3 ALA 23 HB3 ALA 23 0.569 -4.507 8.889 190 H GLU 24 H GLU 24 0.268 -7.285 7.404 191 HA GLU 24 HA GLU 24 1.409 -9.157 9.143 192 HB2 GLU 24 HB2 GLU 24 -0.806 -9.521 8.372 193 HB3 GLU 24 HB3 GLU 24 -0.311 -9.500 6.685 194 HG2 GLU 24 HG2 GLU 24 0.175 -11.672 6.684 195 HG3 GLU 24 HG3 GLU 24 1.008 -11.580 8.234 196 H THR 25 H THR 25 1.758 -9.026 5.573 197 HA THR 25 HA THR 25 3.911 -11.033 5.714 198 HB THR 25 HB THR 25 2.224 -11.048 3.870 199 HG1 THR 25 HG1 THR 25 3.735 -11.685 2.410 200 HG21 THR 25 HG21 THR 25 2.447 -9.428 2.047 201 HG22 THR 25 HG22 THR 25 3.668 -8.552 2.969 202 HG23 THR 25 HG23 THR 25 2.007 -8.628 3.555 203 H ALA 26 H ALA 26 3.499 -7.567 5.346 204 HA ALA 26 HA ALA 26 6.064 -6.962 4.256 205 HB1 ALA 26 HB1 ALA 26 3.885 -5.504 4.765 206 HB2 ALA 26 HB2 ALA 26 4.842 -5.055 6.177 207 HB3 ALA 26 HB3 ALA 26 5.483 -4.786 4.556 208 H GLU 27 H GLU 27 4.913 -7.282 7.620 209 HA GLU 27 HA GLU 27 7.177 -6.375 8.978 210 HB2 GLU 27 HB2 GLU 27 5.188 -6.999 10.177 211 HB3 GLU 27 HB3 GLU 27 5.309 -8.666 9.632 212 HG2 GLU 27 HG2 GLU 27 7.366 -8.937 10.928 213 HG3 GLU 27 HG3 GLU 27 7.224 -7.271 11.488 214 H LYS 28 H LYS 28 6.503 -9.809 8.150 215 HA LYS 28 HA LYS 28 8.957 -10.877 8.926 216 HB2 LYS 28 HB2 LYS 28 6.990 -11.604 6.776 217 HB3 LYS 28 HB3 LYS 28 8.502 -12.493 6.902 218 HG2 LYS 28 HG2 LYS 28 7.279 -13.807 8.257 219 HG3 LYS 28 HG3 LYS 28 7.715 -12.592 9.462 220 HD2 LYS 28 HD2 LYS 28 5.600 -11.892 9.669 221 HD3 LYS 28 HD3 LYS 28 5.350 -11.868 7.922 222 HE2 LYS 28 HE2 LYS 28 4.572 -14.022 7.867 223 HE3 LYS 28 HE3 LYS 28 5.488 -14.504 9.294 224 HZ1 LYS 28 HZ1 LYS 28 2.832 -13.924 9.224 225 HZ2 LYS 28 HZ2 LYS 28 3.509 -12.515 9.869 226 HZ3 LYS 28 HZ3 LYS 28 3.788 -14.006 10.618 227 H ALA 29 H ALA 29 8.106 -9.315 5.837 228 HA ALA 29 HA ALA 29 10.483 -9.856 4.429 229 HB1 ALA 29 HB1 ALA 29 9.048 -7.218 4.233 230 HB2 ALA 29 HB2 ALA 29 9.853 -8.140 2.963 231 HB3 ALA 29 HB3 ALA 29 8.329 -8.714 3.637 232 H PHE 30 H PHE 30 9.756 -7.326 6.817 233 HA PHE 30 HA PHE 30 12.377 -6.073 6.454 234 HB2 PHE 30 HB2 PHE 30 10.213 -5.642 8.536 235 HB3 PHE 30 HB3 PHE 30 11.659 -4.653 8.366 236 HD1 PHE 30 HD2 PHE 30 11.968 -4.054 5.648 237 HD2 PHE 30 HD1 PHE 30 8.340 -4.550 7.817 238 HE1 PHE 30 HE2 PHE 30 10.803 -2.629 4.016 239 HE2 PHE 30 HE1 PHE 30 7.168 -3.126 6.188 240 HZ PHE 30 HZ PHE 30 8.399 -2.162 4.285 241 H LYS 31 H LYS 31 10.773 -8.198 8.810 242 HA LYS 31 HA LYS 31 12.785 -8.186 10.795 243 HB2 LYS 31 HB2 LYS 31 10.787 -10.274 9.921 244 HB3 LYS 31 HB3 LYS 31 11.892 -10.558 11.259 245 HG2 LYS 31 HG2 LYS 31 10.624 -8.022 11.607 246 HG3 LYS 31 HG3 LYS 31 9.401 -9.260 11.311 247 HD2 LYS 31 HD2 LYS 31 11.037 -10.544 13.057 248 HD3 LYS 31 HD3 LYS 31 11.192 -8.876 13.612 249 HE2 LYS 31 HE2 LYS 31 9.387 -9.952 14.797 250 HE3 LYS 31 HE3 LYS 31 8.729 -8.722 13.720 251 HZ1 LYS 31 HZ1 LYS 31 7.762 -11.173 13.849 252 HZ2 LYS 31 HZ2 LYS 31 8.931 -11.425 12.653 253 HZ3 LYS 31 HZ3 LYS 31 7.727 -10.259 12.426 254 H GLN 32 H GLN 32 12.407 -10.259 7.908 255 HA GLN 32 HA GLN 32 14.609 -11.962 8.399 256 HB2 GLN 32 HB2 GLN 32 13.055 -12.498 6.660 257 HB3 GLN 32 HB3 GLN 32 13.366 -10.985 5.820 258 HG2 GLN 32 HG2 GLN 32 15.184 -11.782 4.787 259 HG3 GLN 32 HG3 GLN 32 15.728 -12.672 6.208 260 HE21 GLN 32 HE21 GLN 32 16.233 -14.493 5.003 261 HE22 GLN 32 HE22 GLN 32 15.020 -15.529 4.341 262 H TYR 33 H TYR 33 14.497 -8.631 7.460 263 HA TYR 33 HA TYR 33 17.178 -8.597 6.304 264 HB2 TYR 33 HB2 TYR 33 15.168 -6.976 5.886 265 HB3 TYR 33 HB3 TYR 33 15.748 -6.156 7.331 266 HD1 TYR 33 HD2 TYR 33 17.313 -7.629 4.264 267 HD2 TYR 33 HD1 TYR 33 17.022 -4.294 6.891 268 HE1 TYR 33 HE2 TYR 33 18.972 -6.422 2.907 269 HE2 TYR 33 HE1 TYR 33 18.678 -3.078 5.540 270 HH TYR 33 HH TYR 33 20.625 -3.806 3.920 271 H ALA 34 H ALA 34 15.746 -7.101 9.243 272 HA ALA 34 HA ALA 34 18.151 -6.269 10.418 273 HB1 ALA 34 HB1 ALA 34 16.737 -5.559 11.977 274 HB2 ALA 34 HB2 ALA 34 15.441 -6.446 11.174 275 HB3 ALA 34 HB3 ALA 34 16.370 -7.215 12.461 276 H ASN 35 H ASN 35 16.444 -9.394 10.824 277 HA ASN 35 HA ASN 35 18.222 -10.536 12.691 278 HB2 ASN 35 HB2 ASN 35 16.040 -11.510 12.015 279 HB3 ASN 35 HB3 ASN 35 16.734 -11.958 10.459 280 HD21 ASN 35 HD21 ASN 35 15.791 -14.029 11.502 281 HD22 ASN 35 HD22 ASN 35 16.938 -15.005 12.348 282 H ASP 36 H ASP 36 18.456 -10.222 9.180 283 HA ASP 36 HA ASP 36 20.933 -11.842 9.158 284 HB2 ASP 36 HB2 ASP 36 19.482 -10.431 6.896 285 HB3 ASP 36 HB3 ASP 36 20.837 -11.543 6.721 286 H ASN 37 H ASN 37 20.138 -8.747 9.944 287 HA ASN 37 HA ASN 37 22.714 -7.687 8.848 288 HB2 ASN 37 HB2 ASN 37 20.046 -6.402 9.342 289 HB3 ASN 37 HB3 ASN 37 21.504 -5.422 9.457 290 HD21 ASN 37 HD21 ASN 37 19.133 -6.486 7.432 291 HD22 ASN 37 HD22 ASN 37 19.915 -6.217 5.914 292 H GLY 38 H GLY 38 22.020 -9.257 11.376 293 HA2 GLY 38 HA2 GLY 38 22.739 -9.222 13.573 294 HA3 GLY 38 HA3 GLY 38 23.845 -7.940 13.102 295 H VAL 39 H VAL 39 20.283 -7.972 13.091 296 HA VAL 39 HA VAL 39 20.376 -5.882 15.227 297 HB VAL 39 HB VAL 39 18.652 -5.808 12.736 298 HG11 VAL 39 HG11 VAL 39 18.046 -3.525 13.669 299 HG12 VAL 39 HG12 VAL 39 17.350 -4.923 14.491 300 HG13 VAL 39 HG13 VAL 39 18.730 -4.081 15.196 301 HG21 VAL 39 HG21 VAL 39 20.163 -4.466 11.795 302 HG22 VAL 39 HG22 VAL 39 20.345 -3.512 13.267 303 HG23 VAL 39 HG23 VAL 39 21.278 -4.993 13.056 304 H ASP 40 H ASP 40 18.898 -6.060 16.812 305 HA ASP 40 HA ASP 40 16.421 -7.532 16.438 306 HB2 ASP 40 HB2 ASP 40 18.254 -9.319 16.743 307 HB3 ASP 40 HB3 ASP 40 18.352 -8.759 18.410 308 H GLY 41 H GLY 41 14.967 -6.513 17.630 309 HA2 GLY 41 HA2 GLY 41 15.415 -5.914 20.412 310 HA3 GLY 41 HA3 GLY 41 15.568 -4.460 19.437 311 H VAL 42 H VAL 42 13.801 -3.266 19.432 312 HA VAL 42 HA VAL 42 11.201 -4.599 19.918 313 HB VAL 42 HB VAL 42 11.567 -1.634 19.556 314 HG11 VAL 42 HG11 VAL 42 9.808 -1.936 21.548 315 HG12 VAL 42 HG12 VAL 42 9.341 -1.947 19.847 316 HG13 VAL 42 HG13 VAL 42 9.556 -3.469 20.714 317 HG21 VAL 42 HG21 VAL 42 12.603 -3.327 21.742 318 HG22 VAL 42 HG22 VAL 42 13.144 -1.747 21.176 319 HG23 VAL 42 HG23 VAL 42 11.733 -1.872 22.227 320 H TRP 43 H TRP 43 9.287 -3.881 18.667 321 HA TRP 43 HA TRP 43 9.952 -3.111 15.873 322 HB2 TRP 43 HB2 TRP 43 8.589 -5.645 16.763 323 HB3 TRP 43 HB3 TRP 43 8.204 -4.928 15.200 324 HD1 TRP 43 HD1 TRP 43 10.985 -6.764 17.050 325 HE1 TRP 43 HE1 TRP 43 12.769 -7.502 15.348 326 HE3 TRP 43 HE3 TRP 43 9.245 -4.291 12.928 327 HZ2 TRP 43 HZ2 TRP 43 13.360 -7.090 12.619 328 HZ3 TRP 43 HZ3 TRP 43 10.478 -4.515 10.811 329 HH2 TRP 43 HH2 TRP 43 12.493 -5.886 10.661 330 H THR 44 H THR 44 9.007 -1.109 16.208 331 HA THR 44 HA THR 44 6.144 -1.107 17.014 332 HB THR 44 HB THR 44 6.623 1.490 16.764 333 HG1 THR 44 HG1 THR 44 8.963 1.622 17.610 334 HG21 THR 44 HG21 THR 44 6.356 1.370 18.973 335 HG22 THR 44 HG22 THR 44 7.989 0.732 19.167 336 HG23 THR 44 HG23 THR 44 6.640 -0.368 18.884 337 H TYR 45 H TYR 45 4.799 -1.494 15.375 338 HA TYR 45 HA TYR 45 5.327 -0.024 12.822 339 HB2 TYR 45 HB2 TYR 45 5.084 -1.956 11.720 340 HB3 TYR 45 HB3 TYR 45 4.966 -2.799 13.260 341 HD1 TYR 45 HD1 TYR 45 3.009 -1.209 10.560 342 HD2 TYR 45 HD2 TYR 45 2.888 -3.667 14.031 343 HE1 TYR 45 HE1 TYR 45 0.686 -1.824 10.036 344 HE2 TYR 45 HE2 TYR 45 0.565 -4.290 13.516 345 HH TYR 45 HH TYR 45 -1.072 -3.045 10.619 346 H ASP 46 H ASP 46 3.690 1.105 11.871 347 HA ASP 46 HA ASP 46 1.149 1.233 13.450 348 HB2 ASP 46 HB2 ASP 46 2.526 3.281 13.654 349 HB3 ASP 46 HB3 ASP 46 2.500 3.467 11.903 350 H ASP 47 H ASP 47 -0.689 0.822 12.416 351 HA ASP 47 HA ASP 47 -0.549 0.122 9.576 352 HB2 ASP 47 HB2 ASP 47 -2.758 -0.730 9.857 353 HB3 ASP 47 HB3 ASP 47 -1.890 -1.125 11.338 354 H ALA 48 H ALA 48 -0.734 3.003 11.107 355 HA ALA 48 HA ALA 48 -2.787 4.164 9.305 356 HB1 ALA 48 HB1 ALA 48 -3.076 5.733 10.871 357 HB2 ALA 48 HB2 ALA 48 -2.121 4.686 11.922 358 HB3 ALA 48 HB3 ALA 48 -1.343 6.009 11.052 359 H THR 49 H THR 49 0.509 5.122 10.376 360 HA THR 49 HA THR 49 0.909 6.305 7.670 361 HB THR 49 HB THR 49 2.617 7.662 8.605 362 HG1 THR 49 HG1 THR 49 3.068 7.256 10.995 363 HG21 THR 49 HG21 THR 49 0.434 7.430 10.680 364 HG22 THR 49 HG22 THR 49 0.341 8.369 9.191 365 HG23 THR 49 HG23 THR 49 1.497 8.816 10.445 366 H LYS 50 H LYS 50 1.021 3.447 8.063 367 HA LYS 50 HA LYS 50 2.610 1.677 8.080 368 HB2 LYS 50 HB2 LYS 50 3.799 1.876 5.761 369 HB3 LYS 50 HB3 LYS 50 2.047 1.736 5.830 370 HG2 LYS 50 HG2 LYS 50 3.037 4.490 5.897 371 HG3 LYS 50 HG3 LYS 50 3.411 3.610 4.413 372 HD2 LYS 50 HD2 LYS 50 1.294 3.724 3.718 373 HD3 LYS 50 HD3 LYS 50 0.684 3.146 5.270 374 HE2 LYS 50 HE2 LYS 50 -0.174 5.199 5.497 375 HE3 LYS 50 HE3 LYS 50 1.476 5.700 5.863 376 HZ1 LYS 50 HZ1 LYS 50 1.593 6.852 3.983 377 HZ2 LYS 50 HZ2 LYS 50 -0.079 6.646 3.832 378 HZ3 LYS 50 HZ3 LYS 50 0.978 5.580 3.051 379 H THR 51 H THR 51 3.769 2.904 9.963 380 HA THR 51 HA THR 51 6.546 3.534 9.041 381 HB THR 51 HB THR 51 5.150 4.410 11.588 382 HG1 THR 51 HG1 THR 51 4.711 6.200 10.531 383 HG21 THR 51 HG21 THR 51 7.948 4.802 10.556 384 HG22 THR 51 HG22 THR 51 7.429 4.206 12.133 385 HG23 THR 51 HG23 THR 51 7.220 5.908 11.721 386 H PHE 52 H PHE 52 7.767 1.771 9.223 387 HA PHE 52 HA PHE 52 7.348 0.026 11.602 388 HB2 PHE 52 HB2 PHE 52 8.352 -0.403 8.834 389 HB3 PHE 52 HB3 PHE 52 9.116 -1.353 10.104 390 HD1 PHE 52 HD2 PHE 52 5.810 -0.482 8.662 391 HD2 PHE 52 HD1 PHE 52 8.095 -3.277 10.917 392 HE1 PHE 52 HE2 PHE 52 3.927 -2.064 8.604 393 HE2 PHE 52 HE1 PHE 52 6.216 -4.863 10.862 394 HZ PHE 52 HZ PHE 52 4.127 -4.258 9.705 395 H THR 53 H THR 53 8.538 0.603 13.292 396 HA THR 53 HA THR 53 11.331 1.528 12.763 397 HB THR 53 HB THR 53 10.313 1.868 15.498 398 HG1 THR 53 HG1 THR 53 9.183 3.602 13.578 399 HG21 THR 53 HG21 THR 53 12.378 2.891 14.720 400 HG22 THR 53 HG22 THR 53 11.208 4.140 15.146 401 HG23 THR 53 HG23 THR 53 11.500 3.746 13.452 402 H VAL 54 H VAL 54 13.062 0.678 13.913 403 HA VAL 54 HA VAL 54 12.464 -1.675 15.640 404 HB VAL 54 HB VAL 54 14.369 -1.676 13.285 405 HG11 VAL 54 HG11 VAL 54 15.591 -2.849 14.851 406 HG12 VAL 54 HG12 VAL 54 14.153 -3.471 15.663 407 HG13 VAL 54 HG13 VAL 54 14.643 -4.135 14.104 408 HG21 VAL 54 HG21 VAL 54 13.006 -3.620 12.576 409 HG22 VAL 54 HG22 VAL 54 11.917 -3.312 13.929 410 HG23 VAL 54 HG23 VAL 54 12.085 -2.117 12.643 411 H THR 55 H THR 55 13.187 -0.867 17.526 412 HA THR 55 HA THR 55 15.830 0.493 17.545 413 HB THR 55 HB THR 55 13.741 0.208 19.725 414 HG1 THR 55 HG1 THR 55 14.521 2.626 18.499 415 HG21 THR 55 HG21 THR 55 16.307 1.802 19.684 416 HG22 THR 55 HG22 THR 55 15.998 0.364 20.657 417 HG23 THR 55 HG23 THR 55 15.087 1.844 20.957 418 H GLU 56 H GLU 56 17.629 -0.388 18.354 419 HA GLU 56 HA GLU 56 17.401 -3.163 19.379 420 HB2 GLU 56 HB2 GLU 56 19.126 -2.012 17.580 421 HB3 GLU 56 HB3 GLU 56 20.085 -1.994 19.054 422 HG2 GLU 56 HG2 GLU 56 19.130 -4.513 19.128 423 HG3 GLU 56 HG3 GLU 56 19.214 -4.251 17.387 Start of MODEL 44 1 H1 MET 1 H MET 1 -0.189 -0.193 0.796 2 HA MET 1 HA MET 1 0.814 -1.005 -1.092 3 HB2 MET 1 HB2 MET 1 -0.345 0.934 -1.993 4 HB3 MET 1 HB3 MET 1 1.016 1.970 -1.583 5 HG2 MET 1 HG2 MET 1 1.844 -0.247 -3.233 6 HG3 MET 1 HG3 MET 1 0.554 0.682 -3.994 7 HE1 MET 1 HE1 MET 1 2.313 3.476 -5.570 8 HE2 MET 1 HE2 MET 1 1.865 1.830 -6.018 9 HE3 MET 1 HE3 MET 1 0.755 2.818 -5.068 10 H GLN 2 H GLN 2 2.626 1.208 0.865 11 HA GLN 2 HA GLN 2 5.076 -0.268 0.266 12 HB2 GLN 2 HB2 GLN 2 4.601 1.896 -1.354 13 HB3 GLN 2 HB3 GLN 2 5.542 2.622 -0.058 14 HG2 GLN 2 HG2 GLN 2 7.364 1.147 -0.444 15 HG3 GLN 2 HG3 GLN 2 6.409 0.165 -1.555 16 HE21 GLN 2 HE21 GLN 2 5.614 1.300 -3.511 17 HE22 GLN 2 HE22 GLN 2 6.663 2.455 -4.254 18 H TYR 3 H TYR 3 6.084 -0.549 2.127 19 HA TYR 3 HA TYR 3 5.658 1.522 4.243 20 HB2 TYR 3 HB2 TYR 3 6.395 -1.379 4.690 21 HB3 TYR 3 HB3 TYR 3 5.847 -0.209 5.885 22 HD1 TYR 3 HD2 TYR 3 4.796 -2.308 3.042 23 HD2 TYR 3 HD1 TYR 3 3.521 0.228 6.212 24 HE1 TYR 3 HE2 TYR 3 2.477 -3.052 2.697 25 HE2 TYR 3 HE1 TYR 3 1.199 -0.510 5.876 26 HH TYR 3 HH TYR 3 -0.200 -1.520 4.280 27 H LYS 4 H LYS 4 7.414 1.854 5.769 28 HA LYS 4 HA LYS 4 10.078 1.272 4.536 29 HB2 LYS 4 HB2 LYS 4 9.506 3.622 4.189 30 HB3 LYS 4 HB3 LYS 4 9.168 3.821 5.903 31 HG2 LYS 4 HG2 LYS 4 11.627 3.065 6.218 32 HG3 LYS 4 HG3 LYS 4 11.794 3.507 4.518 33 HD2 LYS 4 HD2 LYS 4 10.534 5.412 6.452 34 HD3 LYS 4 HD3 LYS 4 12.292 5.275 6.359 35 HE2 LYS 4 HE2 LYS 4 12.011 5.617 3.846 36 HE3 LYS 4 HE3 LYS 4 10.362 6.120 4.215 37 HZ1 LYS 4 HZ1 LYS 4 11.793 7.583 5.951 38 HZ2 LYS 4 HZ2 LYS 4 11.288 8.130 4.432 39 HZ3 LYS 4 HZ3 LYS 4 12.853 7.520 4.633 40 H LEU 5 H LEU 5 11.636 0.501 5.843 41 HA LEU 5 HA LEU 5 10.883 0.190 8.717 42 HB2 LEU 5 HB2 LEU 5 11.157 -1.911 7.562 43 HB3 LEU 5 HB3 LEU 5 12.733 -1.417 6.947 44 HG LEU 5 HG LEU 5 13.306 -1.269 9.521 45 HD11 LEU 5 HD11 LEU 5 10.831 -2.915 9.385 46 HD12 LEU 5 HD12 LEU 5 11.376 -1.794 10.632 47 HD13 LEU 5 HD13 LEU 5 12.110 -3.392 10.501 48 HD21 LEU 5 HD21 LEU 5 13.545 -3.282 7.475 49 HD22 LEU 5 HD22 LEU 5 13.461 -4.020 9.075 50 HD23 LEU 5 HD23 LEU 5 14.696 -2.808 8.725 51 H VAL 6 H VAL 6 11.786 1.697 9.947 52 HA VAL 6 HA VAL 6 14.516 2.649 9.236 53 HB VAL 6 HB VAL 6 12.503 3.762 11.210 54 HG11 VAL 6 HG11 VAL 6 15.208 4.775 10.347 55 HG12 VAL 6 HG12 VAL 6 14.033 5.722 11.261 56 HG13 VAL 6 HG13 VAL 6 14.728 4.261 11.964 57 HG21 VAL 6 HG21 VAL 6 12.008 3.931 8.719 58 HG22 VAL 6 HG22 VAL 6 12.021 5.439 9.632 59 HG23 VAL 6 HG23 VAL 6 13.403 5.005 8.626 60 H ILE 7 H ILE 7 16.227 1.881 10.257 61 HA ILE 7 HA ILE 7 15.779 0.519 12.874 62 HB ILE 7 HB ILE 7 18.106 0.292 10.946 63 HG12 ILE 7 HG12 ILE 7 16.158 -1.889 11.634 64 HG13 ILE 7 HG13 ILE 7 15.778 -0.721 10.373 65 HG21 ILE 7 HG21 ILE 7 17.575 -0.865 13.650 66 HG22 ILE 7 HG22 ILE 7 18.537 -1.763 12.477 67 HG23 ILE 7 HG23 ILE 7 19.057 -0.162 13.003 68 HD11 ILE 7 HD11 ILE 7 17.933 -1.360 9.271 69 HD12 ILE 7 HD12 ILE 7 18.064 -2.667 10.448 70 HD13 ILE 7 HD13 ILE 7 16.706 -2.626 9.323 71 H ASN 8 H ASN 8 17.003 0.985 14.675 72 HA ASN 8 HA ASN 8 18.750 3.400 14.429 73 HB2 ASN 8 HB2 ASN 8 16.438 2.870 16.201 74 HB3 ASN 8 HB3 ASN 8 17.852 3.553 16.998 75 HD21 ASN 8 HD21 ASN 8 18.885 5.341 15.473 76 HD22 ASN 8 HD22 ASN 8 17.757 6.549 14.971 77 H GLY 9 H GLY 9 20.389 1.641 14.153 78 HA2 GLY 9 HA2 GLY 9 21.057 0.330 16.740 79 HA3 GLY 9 HA3 GLY 9 21.690 -0.118 15.163 80 H LYS 10 H LYS 10 23.216 0.314 17.548 81 HA LYS 10 HA LYS 10 24.424 2.948 17.401 82 HB2 LYS 10 HB2 LYS 10 25.307 0.372 18.732 83 HB3 LYS 10 HB3 LYS 10 26.149 1.906 18.908 84 HG2 LYS 10 HG2 LYS 10 24.492 2.826 20.201 85 HG3 LYS 10 HG3 LYS 10 23.241 1.772 19.539 86 HD2 LYS 10 HD2 LYS 10 24.108 -0.109 20.775 87 HD3 LYS 10 HD3 LYS 10 25.479 0.849 21.341 88 HE2 LYS 10 HE2 LYS 10 23.982 0.832 23.143 89 HE3 LYS 10 HE3 LYS 10 23.742 2.403 22.380 90 HZ1 LYS 10 HZ1 LYS 10 21.856 1.304 21.139 91 HZ2 LYS 10 HZ2 LYS 10 21.610 1.563 22.792 92 HZ3 LYS 10 HZ3 LYS 10 21.999 0.016 22.228 93 H THR 11 H THR 11 24.849 -0.061 15.735 94 HA THR 11 HA THR 11 27.324 1.058 14.473 95 HB THR 11 HB THR 11 27.062 -1.808 14.119 96 HG1 THR 11 HG1 THR 11 27.445 -0.966 16.809 97 HG21 THR 11 HG21 THR 11 29.061 0.038 14.168 98 HG22 THR 11 HG22 THR 11 29.309 -1.705 14.271 99 HG23 THR 11 HG23 THR 11 29.264 -0.732 15.741 100 H LEU 12 H LEU 12 24.176 0.795 13.962 101 HA LEU 12 HA LEU 12 24.560 0.492 11.046 102 HB2 LEU 12 HB2 LEU 12 23.535 -1.600 12.588 103 HB3 LEU 12 HB3 LEU 12 22.118 -0.834 11.872 104 HG LEU 12 HG LEU 12 22.995 -1.208 9.648 105 HD11 LEU 12 HD11 LEU 12 25.075 -2.692 9.483 106 HD12 LEU 12 HD12 LEU 12 25.419 -2.164 11.130 107 HD13 LEU 12 HD13 LEU 12 25.309 -0.978 9.830 108 HD21 LEU 12 HD21 LEU 12 23.029 -3.698 9.657 109 HD22 LEU 12 HD22 LEU 12 21.679 -2.995 10.548 110 HD23 LEU 12 HD23 LEU 12 23.069 -3.645 11.419 111 H LYS 13 H LYS 13 23.624 2.135 10.057 112 HA LYS 13 HA LYS 13 21.050 3.156 11.123 113 HB2 LYS 13 HB2 LYS 13 23.584 4.755 10.799 114 HB3 LYS 13 HB3 LYS 13 22.008 5.525 10.671 115 HG2 LYS 13 HG2 LYS 13 22.048 5.768 12.871 116 HG3 LYS 13 HG3 LYS 13 21.868 4.017 13.003 117 HD2 LYS 13 HD2 LYS 13 24.049 3.700 13.537 118 HD3 LYS 13 HD3 LYS 13 24.604 5.022 12.509 119 HE2 LYS 13 HE2 LYS 13 24.372 6.578 14.151 120 HE3 LYS 13 HE3 LYS 13 23.005 5.748 14.894 121 HZ1 LYS 13 HZ1 LYS 13 25.860 4.961 15.107 122 HZ2 LYS 13 HZ2 LYS 13 24.566 4.092 15.763 123 HZ3 LYS 13 HZ3 LYS 13 24.915 5.646 16.332 124 H GLY 14 H GLY 14 20.209 2.070 9.255 125 HA2 GLY 14 HA2 GLY 14 20.577 3.743 6.814 126 HA3 GLY 14 HA3 GLY 14 20.671 1.992 6.697 127 H GLU 15 H GLU 15 18.911 2.794 5.060 128 HA GLU 15 HA GLU 15 16.298 2.617 6.513 129 HB2 GLU 15 HB2 GLU 15 17.219 4.387 4.328 130 HB3 GLU 15 HB3 GLU 15 15.629 3.676 4.090 131 HG2 GLU 15 HG2 GLU 15 15.091 5.617 5.170 132 HG3 GLU 15 HG3 GLU 15 15.204 4.496 6.525 133 H THR 16 H THR 16 14.619 1.415 5.526 134 HA THR 16 HA THR 16 15.437 -0.316 3.254 135 HB THR 16 HB THR 16 14.415 -1.367 5.908 136 HG1 THR 16 HG1 THR 16 16.499 -1.558 6.213 137 HG21 THR 16 HG21 THR 16 14.637 -3.602 4.780 138 HG22 THR 16 HG22 THR 16 14.796 -2.740 3.250 139 HG23 THR 16 HG23 THR 16 13.310 -2.604 4.189 140 H THR 17 H THR 17 13.959 0.441 1.835 141 HA THR 17 HA THR 17 11.111 0.464 2.739 142 HB THR 17 HB THR 17 10.630 2.059 1.100 143 HG1 THR 17 HG1 THR 17 12.473 2.518 -0.504 144 HG21 THR 17 HG21 THR 17 12.559 2.628 2.910 145 HG22 THR 17 HG22 THR 17 11.856 3.819 1.815 146 HG23 THR 17 HG23 THR 17 13.389 3.047 1.412 147 H THR 18 H THR 18 9.557 -0.706 1.709 148 HA THR 18 HA THR 18 10.217 -2.135 -0.774 149 HB THR 18 HB THR 18 11.105 -3.581 1.110 150 HG1 THR 18 HG1 THR 18 10.711 -5.117 -0.281 151 HG21 THR 18 HG21 THR 18 9.791 -4.388 2.763 152 HG22 THR 18 HG22 THR 18 8.380 -4.530 1.714 153 HG23 THR 18 HG23 THR 18 8.811 -2.966 2.406 154 H LYS 19 H LYS 19 8.253 -3.883 -1.054 155 HA LYS 19 HA LYS 19 5.772 -2.306 -0.486 156 HB2 LYS 19 HB2 LYS 19 4.902 -2.999 -2.638 157 HB3 LYS 19 HB3 LYS 19 6.462 -2.221 -2.871 158 HG2 LYS 19 HG2 LYS 19 6.546 -5.143 -2.556 159 HG3 LYS 19 HG3 LYS 19 5.742 -4.553 -4.012 160 HD2 LYS 19 HD2 LYS 19 7.698 -4.064 -4.954 161 HD3 LYS 19 HD3 LYS 19 8.174 -3.090 -3.561 162 HE2 LYS 19 HE2 LYS 19 8.546 -5.525 -2.525 163 HE3 LYS 19 HE3 LYS 19 8.807 -5.906 -4.227 164 HZ1 LYS 19 HZ1 LYS 19 10.612 -4.471 -4.350 165 HZ2 LYS 19 HZ2 LYS 19 10.808 -5.200 -2.837 166 HZ3 LYS 19 HZ3 LYS 19 10.185 -3.631 -2.945 167 H ALA 20 H ALA 20 3.860 -3.447 -0.073 168 HA ALA 20 HA ALA 20 3.811 -6.343 -0.070 169 HB1 ALA 20 HB1 ALA 20 5.085 -6.374 1.865 170 HB2 ALA 20 HB2 ALA 20 4.366 -4.892 2.495 171 HB3 ALA 20 HB3 ALA 20 3.440 -6.393 2.501 172 H VAL 21 H VAL 21 1.764 -7.209 0.471 173 HA VAL 21 HA VAL 21 -0.423 -5.507 -0.197 174 HB VAL 21 HB VAL 21 -0.615 -8.135 1.290 175 HG11 VAL 21 HG11 VAL 21 -2.718 -8.275 -0.148 176 HG12 VAL 21 HG12 VAL 21 -2.739 -7.141 1.203 177 HG13 VAL 21 HG13 VAL 21 -2.490 -6.552 -0.441 178 HG21 VAL 21 HG21 VAL 21 0.407 -9.085 -0.446 179 HG22 VAL 21 HG22 VAL 21 -0.988 -8.622 -1.422 180 HG23 VAL 21 HG23 VAL 21 0.426 -7.570 -1.349 181 H ASP 22 H ASP 22 0.671 -6.834 2.938 182 HA ASP 22 HA ASP 22 -0.589 -4.542 4.289 183 HB2 ASP 22 HB2 ASP 22 -1.831 -5.992 5.881 184 HB3 ASP 22 HB3 ASP 22 -2.446 -6.113 4.235 185 H ALA 23 H ALA 23 -0.091 -4.532 6.654 186 HA ALA 23 HA ALA 23 2.676 -4.808 7.075 187 HB1 ALA 23 HB1 ALA 23 0.329 -4.178 8.687 188 HB2 ALA 23 HB2 ALA 23 1.598 -4.981 9.612 189 HB3 ALA 23 HB3 ALA 23 1.954 -3.495 8.732 190 H GLU 24 H GLU 24 0.107 -7.160 7.367 191 HA GLU 24 HA GLU 24 1.235 -9.010 9.141 192 HB2 GLU 24 HB2 GLU 24 -0.968 -9.383 8.319 193 HB3 GLU 24 HB3 GLU 24 -0.426 -9.401 6.647 194 HG2 GLU 24 HG2 GLU 24 0.740 -11.497 7.026 195 HG3 GLU 24 HG3 GLU 24 0.254 -11.474 8.720 196 H THR 25 H THR 25 1.564 -9.033 5.562 197 HA THR 25 HA THR 25 3.776 -10.954 5.774 198 HB THR 25 HB THR 25 2.085 -11.035 3.923 199 HG1 THR 25 HG1 THR 25 3.647 -11.575 2.388 200 HG21 THR 25 HG21 THR 25 2.098 -8.492 3.638 201 HG22 THR 25 HG22 THR 25 2.072 -9.466 2.168 202 HG23 THR 25 HG23 THR 25 3.578 -8.724 2.708 203 H ALA 26 H ALA 26 3.309 -7.510 5.374 204 HA ALA 26 HA ALA 26 5.860 -6.881 4.248 205 HB1 ALA 26 HB1 ALA 26 4.508 -5.008 6.145 206 HB2 ALA 26 HB2 ALA 26 5.297 -4.681 4.602 207 HB3 ALA 26 HB3 ALA 26 3.702 -5.433 4.635 208 H GLU 27 H GLU 27 4.716 -7.112 7.626 209 HA GLU 27 HA GLU 27 7.042 -6.182 8.904 210 HB2 GLU 27 HB2 GLU 27 5.053 -6.590 10.176 211 HB3 GLU 27 HB3 GLU 27 5.033 -8.290 9.728 212 HG2 GLU 27 HG2 GLU 27 6.670 -8.850 11.218 213 HG3 GLU 27 HG3 GLU 27 7.392 -7.242 11.198 214 H LYS 28 H LYS 28 6.163 -9.604 8.244 215 HA LYS 28 HA LYS 28 8.534 -10.789 9.114 216 HB2 LYS 28 HB2 LYS 28 6.484 -11.482 7.055 217 HB3 LYS 28 HB3 LYS 28 7.977 -12.412 7.066 218 HG2 LYS 28 HG2 LYS 28 6.815 -13.701 8.499 219 HG3 LYS 28 HG3 LYS 28 7.381 -12.512 9.675 220 HD2 LYS 28 HD2 LYS 28 5.212 -12.281 10.197 221 HD3 LYS 28 HD3 LYS 28 5.109 -11.331 8.712 222 HE2 LYS 28 HE2 LYS 28 4.568 -13.442 7.493 223 HE3 LYS 28 HE3 LYS 28 4.501 -14.265 9.051 224 HZ1 LYS 28 HZ1 LYS 28 2.336 -13.718 8.881 225 HZ2 LYS 28 HZ2 LYS 28 2.615 -12.403 7.854 226 HZ3 LYS 28 HZ3 LYS 28 2.859 -12.242 9.520 227 H ALA 29 H ALA 29 7.852 -9.185 6.025 228 HA ALA 29 HA ALA 29 10.212 -9.982 4.656 229 HB1 ALA 29 HB1 ALA 29 9.014 -7.262 4.265 230 HB2 ALA 29 HB2 ALA 29 9.652 -8.392 3.071 231 HB3 ALA 29 HB3 ALA 29 8.094 -8.705 3.836 232 H PHE 30 H PHE 30 9.559 -7.238 6.836 233 HA PHE 30 HA PHE 30 12.226 -6.129 6.487 234 HB2 PHE 30 HB2 PHE 30 10.100 -5.595 8.584 235 HB3 PHE 30 HB3 PHE 30 11.568 -4.647 8.369 236 HD1 PHE 30 HD2 PHE 30 11.892 -3.945 5.752 237 HD2 PHE 30 HD1 PHE 30 8.199 -4.648 7.749 238 HE1 PHE 30 HE2 PHE 30 10.736 -2.530 4.105 239 HE2 PHE 30 HE1 PHE 30 7.037 -3.234 6.104 240 HZ PHE 30 HZ PHE 30 8.306 -2.171 4.280 241 H LYS 31 H LYS 31 10.600 -8.231 8.833 242 HA LYS 31 HA LYS 31 12.659 -8.219 10.805 243 HB2 LYS 31 HB2 LYS 31 10.554 -10.258 10.061 244 HB3 LYS 31 HB3 LYS 31 11.649 -10.483 11.419 245 HG2 LYS 31 HG2 LYS 31 10.436 -7.886 11.551 246 HG3 LYS 31 HG3 LYS 31 9.199 -9.137 11.401 247 HD2 LYS 31 HD2 LYS 31 10.301 -10.355 13.276 248 HD3 LYS 31 HD3 LYS 31 11.387 -8.978 13.472 249 HE2 LYS 31 HE2 LYS 31 9.768 -8.471 15.017 250 HE3 LYS 31 HE3 LYS 31 9.146 -7.626 13.601 251 HZ1 LYS 31 HZ1 LYS 31 8.304 -10.396 14.022 252 HZ2 LYS 31 HZ2 LYS 31 7.452 -9.100 13.348 253 HZ3 LYS 31 HZ3 LYS 31 7.635 -9.210 15.026 254 H GLN 32 H GLN 32 12.546 -9.566 7.652 255 HA GLN 32 HA GLN 32 14.488 -11.689 8.211 256 HB2 GLN 32 HB2 GLN 32 12.783 -11.943 6.448 257 HB3 GLN 32 HB3 GLN 32 13.470 -10.577 5.580 258 HG2 GLN 32 HG2 GLN 32 15.199 -11.777 4.776 259 HG3 GLN 32 HG3 GLN 32 15.329 -12.768 6.228 260 HE21 GLN 32 HE21 GLN 32 13.126 -12.186 3.511 261 HE22 GLN 32 HE22 GLN 32 12.692 -13.843 3.284 262 H TYR 33 H TYR 33 14.610 -8.343 7.762 263 HA TYR 33 HA TYR 33 17.280 -8.396 6.487 264 HB2 TYR 33 HB2 TYR 33 15.306 -6.681 6.095 265 HB3 TYR 33 HB3 TYR 33 15.989 -5.890 7.511 266 HD1 TYR 33 HD2 TYR 33 17.485 -7.562 4.516 267 HD2 TYR 33 HD1 TYR 33 17.226 -4.046 6.898 268 HE1 TYR 33 HE2 TYR 33 19.171 -6.479 3.091 269 HE2 TYR 33 HE1 TYR 33 18.910 -2.953 5.479 270 HH TYR 33 HH TYR 33 20.877 -4.584 3.372 271 H ALA 34 H ALA 34 15.834 -6.840 9.389 272 HA ALA 34 HA ALA 34 18.199 -6.109 10.661 273 HB1 ALA 34 HB1 ALA 34 15.509 -6.160 11.320 274 HB2 ALA 34 HB2 ALA 34 16.262 -7.164 12.559 275 HB3 ALA 34 HB3 ALA 34 16.817 -5.509 12.307 276 H ASN 35 H ASN 35 16.473 -9.238 10.916 277 HA ASN 35 HA ASN 35 18.263 -10.424 12.777 278 HB2 ASN 35 HB2 ASN 35 16.091 -11.402 12.289 279 HB3 ASN 35 HB3 ASN 35 16.553 -11.693 10.614 280 HD21 ASN 35 HD21 ASN 35 15.930 -13.896 11.107 281 HD22 ASN 35 HD22 ASN 35 17.077 -14.948 11.858 282 H ASP 36 H ASP 36 18.382 -10.092 9.262 283 HA ASP 36 HA ASP 36 20.750 -11.835 9.085 284 HB2 ASP 36 HB2 ASP 36 18.748 -11.218 7.322 285 HB3 ASP 36 HB3 ASP 36 20.041 -10.164 6.757 286 H ASN 37 H ASN 37 20.131 -8.649 9.933 287 HA ASN 37 HA ASN 37 22.784 -7.738 8.912 288 HB2 ASN 37 HB2 ASN 37 20.253 -6.321 9.685 289 HB3 ASN 37 HB3 ASN 37 21.787 -5.465 9.812 290 HD21 ASN 37 HD21 ASN 37 19.269 -6.339 7.791 291 HD22 ASN 37 HD22 ASN 37 19.982 -5.896 6.281 292 H GLY 38 H GLY 38 21.212 -8.921 11.666 293 HA2 GLY 38 HA2 GLY 38 22.305 -9.348 13.718 294 HA3 GLY 38 HA3 GLY 38 23.549 -8.178 13.304 295 H VAL 39 H VAL 39 20.251 -7.225 12.887 296 HA VAL 39 HA VAL 39 20.542 -5.479 15.294 297 HB VAL 39 HB VAL 39 18.726 -5.088 12.901 298 HG11 VAL 39 HG11 VAL 39 19.268 -2.692 14.310 299 HG12 VAL 39 HG12 VAL 39 17.726 -3.530 14.125 300 HG13 VAL 39 HG13 VAL 39 18.778 -3.908 15.490 301 HG21 VAL 39 HG21 VAL 39 21.424 -3.918 13.553 302 HG22 VAL 39 HG22 VAL 39 20.968 -4.856 12.131 303 HG23 VAL 39 HG23 VAL 39 20.327 -3.229 12.356 304 H ASP 40 H ASP 40 19.297 -5.841 16.993 305 HA ASP 40 HA ASP 40 16.584 -6.950 16.574 306 HB2 ASP 40 HB2 ASP 40 18.160 -8.885 16.936 307 HB3 ASP 40 HB3 ASP 40 18.514 -8.227 18.531 308 H GLY 41 H GLY 41 15.137 -6.574 18.293 309 HA2 GLY 41 HA2 GLY 41 15.615 -5.644 20.825 310 HA3 GLY 41 HA3 GLY 41 15.858 -4.205 19.846 311 H VAL 42 H VAL 42 14.163 -2.941 19.530 312 HA VAL 42 HA VAL 42 11.504 -4.003 20.260 313 HB VAL 42 HB VAL 42 12.379 -1.199 19.515 314 HG11 VAL 42 HG11 VAL 42 10.132 -0.687 20.698 315 HG12 VAL 42 HG12 VAL 42 10.114 -1.220 19.016 316 HG13 VAL 42 HG13 VAL 42 9.737 -2.361 20.308 317 HG21 VAL 42 HG21 VAL 42 12.432 -0.702 21.807 318 HG22 VAL 42 HG22 VAL 42 11.586 -2.188 22.239 319 HG23 VAL 42 HG23 VAL 42 13.254 -2.256 21.671 320 H TRP 43 H TRP 43 9.694 -3.994 18.933 321 HA TRP 43 HA TRP 43 10.235 -3.484 16.040 322 HB2 TRP 43 HB2 TRP 43 9.306 -5.988 17.360 323 HB3 TRP 43 HB3 TRP 43 8.509 -5.542 15.854 324 HD1 TRP 43 HD1 TRP 43 11.584 -7.182 17.159 325 HE1 TRP 43 HE1 TRP 43 13.189 -7.726 15.222 326 HE3 TRP 43 HE3 TRP 43 9.338 -4.464 13.457 327 HZ2 TRP 43 HZ2 TRP 43 13.466 -7.088 12.486 328 HZ3 TRP 43 HZ3 TRP 43 10.337 -4.484 11.208 329 HH2 TRP 43 HH2 TRP 43 12.359 -5.769 10.735 330 H THR 44 H THR 44 9.148 -1.492 16.264 331 HA THR 44 HA THR 44 6.245 -1.715 16.915 332 HB THR 44 HB THR 44 6.360 0.828 16.900 333 HG1 THR 44 HG1 THR 44 8.697 1.457 17.387 334 HG21 THR 44 HG21 THR 44 7.283 -1.065 18.871 335 HG22 THR 44 HG22 THR 44 6.346 0.413 19.092 336 HG23 THR 44 HG23 THR 44 8.108 0.482 19.058 337 H TYR 45 H TYR 45 4.700 -0.553 15.586 338 HA TYR 45 HA TYR 45 5.496 0.348 12.942 339 HB2 TYR 45 HB2 TYR 45 5.100 -1.468 11.675 340 HB3 TYR 45 HB3 TYR 45 5.208 -2.396 13.166 341 HD1 TYR 45 HD1 TYR 45 2.909 -0.907 10.712 342 HD2 TYR 45 HD2 TYR 45 3.245 -3.342 14.184 343 HE1 TYR 45 HE1 TYR 45 0.586 -1.653 10.406 344 HE2 TYR 45 HE2 TYR 45 0.923 -4.096 13.888 345 HH TYR 45 HH TYR 45 -0.722 -4.001 11.267 346 H ASP 46 H ASP 46 3.910 1.516 11.926 347 HA ASP 46 HA ASP 46 1.350 1.733 13.460 348 HB2 ASP 46 HB2 ASP 46 2.715 3.763 13.610 349 HB3 ASP 46 HB3 ASP 46 2.814 3.850 11.853 350 H ASP 47 H ASP 47 -0.403 1.056 12.451 351 HA ASP 47 HA ASP 47 -0.286 0.403 9.609 352 HB2 ASP 47 HB2 ASP 47 -2.450 -0.562 9.924 353 HB3 ASP 47 HB3 ASP 47 -1.518 -0.932 11.373 354 H ALA 48 H ALA 48 -0.635 3.264 11.166 355 HA ALA 48 HA ALA 48 -2.759 4.302 9.369 356 HB1 ALA 48 HB1 ALA 48 -2.429 6.404 10.731 357 HB2 ALA 48 HB2 ALA 48 -3.020 5.000 11.621 358 HB3 ALA 48 HB3 ALA 48 -1.327 5.478 11.750 359 H THR 49 H THR 49 0.587 5.146 10.370 360 HA THR 49 HA THR 49 0.863 6.608 7.783 361 HB THR 49 HB THR 49 2.980 6.790 9.874 362 HG1 THR 49 HG1 THR 49 1.136 7.013 11.151 363 HG21 THR 49 HG21 THR 49 3.576 8.406 8.456 364 HG22 THR 49 HG22 THR 49 2.150 9.307 8.972 365 HG23 THR 49 HG23 THR 49 2.064 8.249 7.563 366 H LYS 50 H LYS 50 0.962 3.703 7.982 367 HA LYS 50 HA LYS 50 2.513 1.927 7.737 368 HB2 LYS 50 HB2 LYS 50 3.575 2.266 5.399 369 HB3 LYS 50 HB3 LYS 50 1.821 2.247 5.529 370 HG2 LYS 50 HG2 LYS 50 3.031 4.904 5.782 371 HG3 LYS 50 HG3 LYS 50 3.260 4.130 4.212 372 HD2 LYS 50 HD2 LYS 50 1.152 4.558 3.643 373 HD3 LYS 50 HD3 LYS 50 0.555 3.759 5.100 374 HE2 LYS 50 HE2 LYS 50 -0.114 5.755 5.818 375 HE3 LYS 50 HE3 LYS 50 1.585 6.195 5.980 376 HZ1 LYS 50 HZ1 LYS 50 1.269 6.668 3.415 377 HZ2 LYS 50 HZ2 LYS 50 0.916 7.832 4.590 378 HZ3 LYS 50 HZ3 LYS 50 -0.331 6.919 3.903 379 H THR 51 H THR 51 3.748 3.106 9.669 380 HA THR 51 HA THR 51 6.537 3.550 8.674 381 HB THR 51 HB THR 51 5.188 4.753 11.108 382 HG1 THR 51 HG1 THR 51 6.226 5.885 8.705 383 HG21 THR 51 HG21 THR 51 8.053 4.598 10.271 384 HG22 THR 51 HG22 THR 51 7.344 4.454 11.880 385 HG23 THR 51 HG23 THR 51 7.471 6.035 11.110 386 H PHE 52 H PHE 52 8.044 2.175 9.347 387 HA PHE 52 HA PHE 52 7.357 0.458 11.700 388 HB2 PHE 52 HB2 PHE 52 8.595 -0.198 9.047 389 HB3 PHE 52 HB3 PHE 52 9.061 -1.137 10.462 390 HD1 PHE 52 HD2 PHE 52 5.937 0.149 8.871 391 HD2 PHE 52 HD1 PHE 52 7.904 -3.074 10.835 392 HE1 PHE 52 HE2 PHE 52 3.921 -1.237 8.609 393 HE2 PHE 52 HE1 PHE 52 5.892 -4.466 10.576 394 HZ PHE 52 HZ PHE 52 3.896 -3.547 9.463 395 H THR 53 H THR 53 8.672 0.575 13.385 396 HA THR 53 HA THR 53 11.370 1.785 12.928 397 HB THR 53 HB THR 53 10.218 1.760 15.669 398 HG1 THR 53 HG1 THR 53 9.068 3.762 15.072 399 HG21 THR 53 HG21 THR 53 12.001 3.467 13.999 400 HG22 THR 53 HG22 THR 53 12.236 2.855 15.636 401 HG23 THR 53 HG23 THR 53 11.146 4.211 15.349 402 H VAL 54 H VAL 54 13.172 0.884 13.878 403 HA VAL 54 HA VAL 54 12.751 -1.624 15.428 404 HB VAL 54 HB VAL 54 14.500 -1.357 12.972 405 HG11 VAL 54 HG11 VAL 54 14.534 -3.337 15.211 406 HG12 VAL 54 HG12 VAL 54 14.961 -3.845 13.576 407 HG13 VAL 54 HG13 VAL 54 15.882 -2.569 14.372 408 HG21 VAL 54 HG21 VAL 54 12.197 -3.184 13.648 409 HG22 VAL 54 HG22 VAL 54 12.188 -1.870 12.471 410 HG23 VAL 54 HG23 VAL 54 13.186 -3.297 12.193 411 H THR 55 H THR 55 13.443 -0.645 17.307 412 HA THR 55 HA THR 55 16.106 0.651 17.289 413 HB THR 55 HB THR 55 14.344 0.241 19.707 414 HG1 THR 55 HG1 THR 55 13.063 1.301 18.182 415 HG21 THR 55 HG21 THR 55 15.968 2.676 19.273 416 HG22 THR 55 HG22 THR 55 16.856 1.181 19.566 417 HG23 THR 55 HG23 THR 55 15.680 1.753 20.748 418 H GLU 56 H GLU 56 17.907 -0.113 18.308 419 HA GLU 56 HA GLU 56 17.774 -2.982 19.071 420 HB2 GLU 56 HB2 GLU 56 19.498 -1.731 17.425 421 HB3 GLU 56 HB3 GLU 56 20.373 -1.539 18.938 422 HG2 GLU 56 HG2 GLU 56 19.883 -4.106 19.176 423 HG3 GLU 56 HG3 GLU 56 19.723 -4.011 17.423 Start of MODEL 45 1 H1 MET 1 H MET 1 -0.021 2.137 0.381 2 HA MET 1 HA MET 1 0.850 -0.674 0.407 3 HB2 MET 1 HB2 MET 1 1.584 -0.251 -2.008 4 HB3 MET 1 HB3 MET 1 -0.136 -0.473 -1.717 5 HG2 MET 1 HG2 MET 1 0.855 2.303 -1.637 6 HG3 MET 1 HG3 MET 1 0.876 1.504 -3.208 7 HE1 MET 1 HE1 MET 1 -2.218 2.132 -4.606 8 HE2 MET 1 HE2 MET 1 -1.509 3.618 -3.974 9 HE3 MET 1 HE3 MET 1 -0.465 2.326 -4.568 10 H GLN 2 H GLN 2 3.122 -1.017 -0.143 11 HA GLN 2 HA GLN 2 5.356 -0.532 0.081 12 HB2 GLN 2 HB2 GLN 2 4.429 1.543 -1.396 13 HB3 GLN 2 HB3 GLN 2 5.031 2.416 0.007 14 HG2 GLN 2 HG2 GLN 2 7.225 1.445 -0.289 15 HG3 GLN 2 HG3 GLN 2 6.638 0.476 -1.640 16 HE21 GLN 2 HE21 GLN 2 7.809 3.521 -0.619 17 HE22 GLN 2 HE22 GLN 2 7.777 4.305 -2.158 18 H TYR 3 H TYR 3 6.526 -0.611 1.876 19 HA TYR 3 HA TYR 3 5.695 1.163 4.135 20 HB2 TYR 3 HB2 TYR 3 6.660 -1.693 4.439 21 HB3 TYR 3 HB3 TYR 3 6.033 -0.636 5.699 22 HD1 TYR 3 HD2 TYR 3 3.612 -0.064 5.734 23 HD2 TYR 3 HD1 TYR 3 5.199 -2.947 3.037 24 HE1 TYR 3 HE2 TYR 3 1.347 -0.939 5.346 25 HE2 TYR 3 HE1 TYR 3 2.937 -3.829 2.640 26 HH TYR 3 HH TYR 3 0.106 -2.420 4.262 27 H LYS 4 H LYS 4 7.375 1.545 5.749 28 HA LYS 4 HA LYS 4 10.114 1.278 4.575 29 HB2 LYS 4 HB2 LYS 4 9.773 3.543 4.283 30 HB3 LYS 4 HB3 LYS 4 8.696 3.675 5.668 31 HG2 LYS 4 HG2 LYS 4 10.402 3.964 7.147 32 HG3 LYS 4 HG3 LYS 4 11.544 3.023 6.185 33 HD2 LYS 4 HD2 LYS 4 12.183 5.355 6.155 34 HD3 LYS 4 HD3 LYS 4 11.638 4.870 4.548 35 HE2 LYS 4 HE2 LYS 4 10.750 7.060 5.164 36 HE3 LYS 4 HE3 LYS 4 9.457 5.876 4.976 37 HZ1 LYS 4 HZ1 LYS 4 9.339 7.391 6.979 38 HZ2 LYS 4 HZ2 LYS 4 10.632 6.507 7.617 39 HZ3 LYS 4 HZ3 LYS 4 9.165 5.735 7.279 40 H LEU 5 H LEU 5 11.655 0.499 5.876 41 HA LEU 5 HA LEU 5 10.877 0.061 8.728 42 HB2 LEU 5 HB2 LEU 5 11.236 -1.998 7.552 43 HB3 LEU 5 HB3 LEU 5 12.774 -1.427 6.909 44 HG LEU 5 HG LEU 5 13.431 -1.312 9.451 45 HD11 LEU 5 HD11 LEU 5 11.549 -1.873 10.628 46 HD12 LEU 5 HD12 LEU 5 12.312 -3.455 10.470 47 HD13 LEU 5 HD13 LEU 5 10.983 -3.006 9.401 48 HD21 LEU 5 HD21 LEU 5 14.736 -2.693 8.161 49 HD22 LEU 5 HD22 LEU 5 13.361 -3.632 7.578 50 HD23 LEU 5 HD23 LEU 5 13.957 -3.867 9.222 51 H VAL 6 H VAL 6 11.722 1.532 10.036 52 HA VAL 6 HA VAL 6 14.409 2.631 9.376 53 HB VAL 6 HB VAL 6 12.352 3.566 11.395 54 HG11 VAL 6 HG11 VAL 6 15.072 4.599 10.650 55 HG12 VAL 6 HG12 VAL 6 13.846 5.632 11.387 56 HG13 VAL 6 HG13 VAL 6 14.440 4.213 12.251 57 HG21 VAL 6 HG21 VAL 6 12.795 5.534 9.475 58 HG22 VAL 6 HG22 VAL 6 12.678 4.029 8.562 59 HG23 VAL 6 HG23 VAL 6 11.366 4.513 9.637 60 H ILE 7 H ILE 7 16.127 1.773 10.307 61 HA ILE 7 HA ILE 7 15.744 0.330 12.887 62 HB ILE 7 HB ILE 7 18.072 0.247 10.950 63 HG12 ILE 7 HG12 ILE 7 16.096 -1.956 11.518 64 HG13 ILE 7 HG13 ILE 7 15.819 -0.771 10.247 65 HG21 ILE 7 HG21 ILE 7 18.961 -0.250 13.057 66 HG22 ILE 7 HG22 ILE 7 17.527 -1.149 13.548 67 HG23 ILE 7 HG23 ILE 7 18.622 -1.826 12.343 68 HD11 ILE 7 HD11 ILE 7 17.359 -1.681 8.887 69 HD12 ILE 7 HD12 ILE 7 18.443 -2.102 10.214 70 HD13 ILE 7 HD13 ILE 7 17.046 -3.119 9.859 71 H ASN 8 H ASN 8 16.968 0.756 14.698 72 HA ASN 8 HA ASN 8 18.666 3.212 14.537 73 HB2 ASN 8 HB2 ASN 8 16.356 2.591 16.285 74 HB3 ASN 8 HB3 ASN 8 17.756 3.277 17.104 75 HD21 ASN 8 HD21 ASN 8 18.761 5.121 15.619 76 HD22 ASN 8 HD22 ASN 8 17.611 6.324 15.154 77 H GLY 9 H GLY 9 20.330 1.482 14.214 78 HA2 GLY 9 HA2 GLY 9 21.004 0.096 16.758 79 HA3 GLY 9 HA3 GLY 9 21.660 -0.280 15.171 80 H LYS 10 H LYS 10 23.104 0.140 17.648 81 HA LYS 10 HA LYS 10 24.284 2.785 17.563 82 HB2 LYS 10 HB2 LYS 10 25.394 0.260 18.821 83 HB3 LYS 10 HB3 LYS 10 25.844 1.915 19.207 84 HG2 LYS 10 HG2 LYS 10 23.054 1.737 19.540 85 HG3 LYS 10 HG3 LYS 10 23.758 0.312 20.308 86 HD2 LYS 10 HD2 LYS 10 25.028 1.586 21.787 87 HD3 LYS 10 HD3 LYS 10 24.912 3.036 20.788 88 HE2 LYS 10 HE2 LYS 10 22.492 1.805 22.069 89 HE3 LYS 10 HE3 LYS 10 23.521 2.940 22.941 90 HZ1 LYS 10 HZ1 LYS 10 21.919 4.296 22.019 91 HZ2 LYS 10 HZ2 LYS 10 21.828 3.416 20.578 92 HZ3 LYS 10 HZ3 LYS 10 23.161 4.414 20.877 93 H THR 11 H THR 11 24.782 -0.175 15.845 94 HA THR 11 HA THR 11 27.286 0.988 14.685 95 HB THR 11 HB THR 11 27.057 -1.873 14.258 96 HG1 THR 11 HG1 THR 11 27.645 -2.177 16.650 97 HG21 THR 11 HG21 THR 11 29.204 -1.208 13.995 98 HG22 THR 11 HG22 THR 11 29.297 -1.511 15.730 99 HG23 THR 11 HG23 THR 11 29.039 0.128 15.133 100 H LEU 12 H LEU 12 24.136 0.634 14.093 101 HA LEU 12 HA LEU 12 24.610 0.452 11.178 102 HB2 LEU 12 HB2 LEU 12 23.606 -1.719 12.626 103 HB3 LEU 12 HB3 LEU 12 22.189 -0.973 11.889 104 HG LEU 12 HG LEU 12 23.143 -1.252 9.683 105 HD11 LEU 12 HD11 LEU 12 25.560 -2.072 11.230 106 HD12 LEU 12 HD12 LEU 12 25.425 -0.996 9.840 107 HD13 LEU 12 HD13 LEU 12 25.280 -2.740 9.622 108 HD21 LEU 12 HD21 LEU 12 22.615 -3.455 11.499 109 HD22 LEU 12 HD22 LEU 12 23.657 -3.926 10.156 110 HD23 LEU 12 HD23 LEU 12 22.079 -3.204 9.837 111 H LYS 13 H LYS 13 23.612 2.059 10.183 112 HA LYS 13 HA LYS 13 21.000 2.988 11.241 113 HB2 LYS 13 HB2 LYS 13 23.433 4.746 10.845 114 HB3 LYS 13 HB3 LYS 13 21.795 5.377 10.967 115 HG2 LYS 13 HG2 LYS 13 22.044 3.723 13.173 116 HG3 LYS 13 HG3 LYS 13 23.613 4.521 13.048 117 HD2 LYS 13 HD2 LYS 13 22.167 6.671 12.711 118 HD3 LYS 13 HD3 LYS 13 20.904 5.709 13.482 119 HE2 LYS 13 HE2 LYS 13 22.002 5.631 15.492 120 HE3 LYS 13 HE3 LYS 13 23.593 5.802 14.753 121 HZ1 LYS 13 HZ1 LYS 13 23.382 8.071 14.610 122 HZ2 LYS 13 HZ2 LYS 13 22.571 7.765 16.062 123 HZ3 LYS 13 HZ3 LYS 13 21.691 8.042 14.644 124 H GLY 14 H GLY 14 20.193 1.928 9.352 125 HA2 GLY 14 HA2 GLY 14 20.573 3.632 6.933 126 HA3 GLY 14 HA3 GLY 14 20.664 1.881 6.803 127 H GLU 15 H GLU 15 18.918 2.728 5.159 128 HA GLU 15 HA GLU 15 16.295 2.515 6.586 129 HB2 GLU 15 HB2 GLU 15 17.201 4.280 4.359 130 HB3 GLU 15 HB3 GLU 15 15.559 3.657 4.273 131 HG2 GLU 15 HG2 GLU 15 14.865 4.828 6.110 132 HG3 GLU 15 HG3 GLU 15 16.480 4.896 6.813 133 H THR 16 H THR 16 14.807 1.077 5.851 134 HA THR 16 HA THR 16 15.579 -0.507 3.434 135 HB THR 16 HB THR 16 14.553 -1.604 6.068 136 HG1 THR 16 HG1 THR 16 16.590 -2.050 6.407 137 HG21 THR 16 HG21 THR 16 14.642 -2.737 3.329 138 HG22 THR 16 HG22 THR 16 13.529 -3.069 4.657 139 HG23 THR 16 HG23 THR 16 15.137 -3.793 4.651 140 H THR 17 H THR 17 14.097 0.203 2.006 141 HA THR 17 HA THR 17 11.245 0.189 2.901 142 HB THR 17 HB THR 17 10.742 1.759 1.214 143 HG1 THR 17 HG1 THR 17 13.322 1.735 0.096 144 HG21 THR 17 HG21 THR 17 12.471 2.406 3.169 145 HG22 THR 17 HG22 THR 17 11.846 3.576 2.007 146 HG23 THR 17 HG23 THR 17 13.435 2.851 1.762 147 H THR 18 H THR 18 9.677 -0.894 1.745 148 HA THR 18 HA THR 18 10.404 -2.326 -0.707 149 HB THR 18 HB THR 18 11.242 -3.786 1.198 150 HG1 THR 18 HG1 THR 18 10.872 -4.810 -0.722 151 HG21 THR 18 HG21 THR 18 8.532 -4.804 1.690 152 HG22 THR 18 HG22 THR 18 8.854 -3.213 2.378 153 HG23 THR 18 HG23 THR 18 9.879 -4.582 2.805 154 H LYS 19 H LYS 19 8.439 -4.091 -1.014 155 HA LYS 19 HA LYS 19 5.950 -2.509 -0.504 156 HB2 LYS 19 HB2 LYS 19 5.160 -3.001 -2.672 157 HB3 LYS 19 HB3 LYS 19 6.841 -2.536 -2.903 158 HG2 LYS 19 HG2 LYS 19 6.932 -5.285 -2.540 159 HG3 LYS 19 HG3 LYS 19 5.504 -5.014 -3.542 160 HD2 LYS 19 HD2 LYS 19 8.192 -3.796 -4.144 161 HD3 LYS 19 HD3 LYS 19 7.675 -5.356 -4.787 162 HE2 LYS 19 HE2 LYS 19 6.522 -4.350 -6.397 163 HE3 LYS 19 HE3 LYS 19 5.608 -3.424 -5.207 164 HZ1 LYS 19 HZ1 LYS 19 8.275 -2.439 -5.622 165 HZ2 LYS 19 HZ2 LYS 19 6.805 -1.603 -5.608 166 HZ3 LYS 19 HZ3 LYS 19 7.323 -2.381 -7.019 167 H ALA 20 H ALA 20 4.043 -3.639 -0.095 168 HA ALA 20 HA ALA 20 4.030 -6.552 -0.087 169 HB1 ALA 20 HB1 ALA 20 4.568 -5.042 2.414 170 HB2 ALA 20 HB2 ALA 20 3.434 -6.389 2.511 171 HB3 ALA 20 HB3 ALA 20 5.076 -6.660 1.929 172 H VAL 21 H VAL 21 1.979 -7.425 0.151 173 HA VAL 21 HA VAL 21 -0.189 -5.825 -0.651 174 HB VAL 21 HB VAL 21 -0.403 -8.373 0.972 175 HG11 VAL 21 HG11 VAL 21 -2.400 -6.724 0.190 176 HG12 VAL 21 HG12 VAL 21 -2.287 -7.792 -1.210 177 HG13 VAL 21 HG13 VAL 21 -2.577 -8.467 0.394 178 HG21 VAL 21 HG21 VAL 21 1.088 -8.861 -0.804 179 HG22 VAL 21 HG22 VAL 21 -0.492 -9.464 -1.304 180 HG23 VAL 21 HG23 VAL 21 0.121 -7.947 -1.961 181 H ASP 22 H ASP 22 0.717 -6.919 2.631 182 HA ASP 22 HA ASP 22 -0.813 -4.622 3.712 183 HB2 ASP 22 HB2 ASP 22 -1.997 -5.965 5.334 184 HB3 ASP 22 HB3 ASP 22 -2.339 -6.607 3.729 185 H ALA 23 H ALA 23 -0.396 -4.334 6.091 186 HA ALA 23 HA ALA 23 2.382 -4.147 6.553 187 HB1 ALA 23 HB1 ALA 23 -0.074 -3.728 8.093 188 HB2 ALA 23 HB2 ALA 23 1.318 -4.171 9.081 189 HB3 ALA 23 HB3 ALA 23 1.402 -2.765 8.019 190 H GLU 24 H GLU 24 0.028 -6.595 7.670 191 HA GLU 24 HA GLU 24 1.662 -8.072 9.376 192 HB2 GLU 24 HB2 GLU 24 -0.623 -8.680 9.178 193 HB3 GLU 24 HB3 GLU 24 -0.489 -8.943 7.445 194 HG2 GLU 24 HG2 GLU 24 0.460 -11.003 7.684 195 HG3 GLU 24 HG3 GLU 24 1.164 -10.619 9.253 196 H THR 25 H THR 25 1.712 -7.908 5.867 197 HA THR 25 HA THR 25 3.458 -10.228 5.576 198 HB THR 25 HB THR 25 2.618 -8.043 3.657 199 HG1 THR 25 HG1 THR 25 1.115 -9.760 4.326 200 HG21 THR 25 HG21 THR 25 4.530 -8.566 2.565 201 HG22 THR 25 HG22 THR 25 3.609 -9.983 2.060 202 HG23 THR 25 HG23 THR 25 4.724 -10.095 3.422 203 H ALA 26 H ALA 26 3.867 -6.680 5.211 204 HA ALA 26 HA ALA 26 6.658 -6.754 4.701 205 HB1 ALA 26 HB1 ALA 26 5.859 -4.413 6.217 206 HB2 ALA 26 HB2 ALA 26 6.395 -4.547 4.542 207 HB3 ALA 26 HB3 ALA 26 4.697 -4.798 4.947 208 H GLU 27 H GLU 27 4.819 -6.685 7.738 209 HA GLU 27 HA GLU 27 6.864 -6.094 9.545 210 HB2 GLU 27 HB2 GLU 27 4.450 -6.453 10.093 211 HB3 GLU 27 HB3 GLU 27 4.708 -8.186 9.944 212 HG2 GLU 27 HG2 GLU 27 5.846 -8.331 11.904 213 HG3 GLU 27 HG3 GLU 27 6.478 -6.690 11.789 214 H LYS 28 H LYS 28 6.201 -9.111 7.831 215 HA LYS 28 HA LYS 28 8.271 -10.547 9.351 216 HB2 LYS 28 HB2 LYS 28 6.005 -11.289 7.878 217 HB3 LYS 28 HB3 LYS 28 7.365 -11.863 6.922 218 HG2 LYS 28 HG2 LYS 28 8.067 -13.328 8.550 219 HG3 LYS 28 HG3 LYS 28 7.291 -12.422 9.851 220 HD2 LYS 28 HD2 LYS 28 5.230 -13.220 8.118 221 HD3 LYS 28 HD3 LYS 28 6.279 -14.627 8.309 222 HE2 LYS 28 HE2 LYS 28 6.099 -13.679 10.870 223 HE3 LYS 28 HE3 LYS 28 4.494 -13.330 10.231 224 HZ1 LYS 28 HZ1 LYS 28 5.146 -15.665 11.280 225 HZ2 LYS 28 HZ2 LYS 28 5.570 -15.977 9.672 226 HZ3 LYS 28 HZ3 LYS 28 3.990 -15.509 10.055 227 H ALA 29 H ALA 29 7.792 -9.170 6.107 228 HA ALA 29 HA ALA 29 10.150 -10.164 4.903 229 HB1 ALA 29 HB1 ALA 29 9.946 -7.944 3.552 230 HB2 ALA 29 HB2 ALA 29 8.675 -9.162 3.430 231 HB3 ALA 29 HB3 ALA 29 8.442 -7.743 4.452 232 H PHE 30 H PHE 30 9.603 -7.113 6.702 233 HA PHE 30 HA PHE 30 12.304 -6.192 6.437 234 HB2 PHE 30 HB2 PHE 30 10.193 -5.558 8.522 235 HB3 PHE 30 HB3 PHE 30 11.703 -4.673 8.324 236 HD1 PHE 30 HD2 PHE 30 12.074 -4.076 5.655 237 HD2 PHE 30 HD1 PHE 30 8.366 -4.460 7.708 238 HE1 PHE 30 HE2 PHE 30 11.003 -2.623 3.984 239 HE2 PHE 30 HE1 PHE 30 7.288 -3.007 6.040 240 HZ PHE 30 HZ PHE 30 8.607 -2.086 4.176 241 H LYS 31 H LYS 31 10.656 -8.254 8.791 242 HA LYS 31 HA LYS 31 12.752 -8.252 10.746 243 HB2 LYS 31 HB2 LYS 31 10.291 -9.094 10.893 244 HB3 LYS 31 HB3 LYS 31 10.934 -10.605 10.264 245 HG2 LYS 31 HG2 LYS 31 12.053 -11.091 12.182 246 HG3 LYS 31 HG3 LYS 31 12.305 -9.395 12.598 247 HD2 LYS 31 HD2 LYS 31 9.616 -10.750 12.702 248 HD3 LYS 31 HD3 LYS 31 10.706 -10.646 14.086 249 HE2 LYS 31 HE2 LYS 31 10.316 -8.437 14.396 250 HE3 LYS 31 HE3 LYS 31 10.150 -8.115 12.671 251 HZ1 LYS 31 HZ1 LYS 31 8.129 -8.672 14.621 252 HZ2 LYS 31 HZ2 LYS 31 7.990 -9.661 13.256 253 HZ3 LYS 31 HZ3 LYS 31 7.982 -7.978 13.085 254 H GLN 32 H GLN 32 12.585 -9.564 7.614 255 HA GLN 32 HA GLN 32 14.403 -11.806 8.180 256 HB2 GLN 32 HB2 GLN 32 12.669 -12.009 6.445 257 HB3 GLN 32 HB3 GLN 32 13.394 -10.678 5.553 258 HG2 GLN 32 HG2 GLN 32 14.878 -12.012 4.587 259 HG3 GLN 32 HG3 GLN 32 15.322 -12.753 6.124 260 HE21 GLN 32 HE21 GLN 32 15.500 -14.727 4.919 261 HE22 GLN 32 HE22 GLN 32 14.086 -15.653 4.565 262 H TYR 33 H TYR 33 14.671 -8.474 7.666 263 HA TYR 33 HA TYR 33 17.344 -8.694 6.404 264 HB2 TYR 33 HB2 TYR 33 15.510 -6.948 5.805 265 HB3 TYR 33 HB3 TYR 33 16.036 -6.120 7.266 266 HD1 TYR 33 HD2 TYR 33 17.773 -7.823 4.419 267 HD2 TYR 33 HD1 TYR 33 17.405 -4.328 6.818 268 HE1 TYR 33 HE2 TYR 33 19.603 -6.770 3.157 269 HE2 TYR 33 HE1 TYR 33 19.233 -3.265 5.562 270 HH TYR 33 HH TYR 33 20.206 -3.620 3.076 271 H ALA 34 H ALA 34 15.889 -7.014 9.229 272 HA ALA 34 HA ALA 34 18.228 -6.228 10.502 273 HB1 ALA 34 HB1 ALA 34 16.484 -5.444 11.689 274 HB2 ALA 34 HB2 ALA 34 15.484 -6.861 11.366 275 HB3 ALA 34 HB3 ALA 34 16.702 -6.914 12.639 276 H ASN 35 H ASN 35 16.493 -9.332 11.021 277 HA ASN 35 HA ASN 35 18.359 -10.442 12.826 278 HB2 ASN 35 HB2 ASN 35 16.214 -11.481 12.508 279 HB3 ASN 35 HB3 ASN 35 16.534 -11.761 10.799 280 HD21 ASN 35 HD21 ASN 35 16.127 -13.968 11.063 281 HD22 ASN 35 HD22 ASN 35 17.276 -15.018 11.813 282 H ASP 36 H ASP 36 18.413 -10.187 9.318 283 HA ASP 36 HA ASP 36 20.662 -12.039 9.044 284 HB2 ASP 36 HB2 ASP 36 18.739 -11.045 7.325 285 HB3 ASP 36 HB3 ASP 36 20.188 -10.179 6.824 286 H ASN 37 H ASN 37 20.248 -8.758 9.901 287 HA ASN 37 HA ASN 37 23.068 -8.145 9.133 288 HB2 ASN 37 HB2 ASN 37 20.684 -6.392 9.751 289 HB3 ASN 37 HB3 ASN 37 22.326 -5.756 9.731 290 HD21 ASN 37 HD21 ASN 37 19.609 -6.450 7.909 291 HD22 ASN 37 HD22 ASN 37 20.295 -6.259 6.335 292 H GLY 38 H GLY 38 21.575 -9.535 11.604 293 HA2 GLY 38 HA2 GLY 38 22.294 -9.858 13.790 294 HA3 GLY 38 HA3 GLY 38 23.626 -8.751 13.491 295 H VAL 39 H VAL 39 20.167 -8.063 13.131 296 HA VAL 39 HA VAL 39 20.477 -6.075 15.349 297 HB VAL 39 HB VAL 39 18.373 -5.821 13.221 298 HG11 VAL 39 HG11 VAL 39 17.979 -4.230 14.818 299 HG12 VAL 39 HG12 VAL 39 19.685 -4.078 15.245 300 HG13 VAL 39 HG13 VAL 39 19.077 -3.339 13.764 301 HG21 VAL 39 HG21 VAL 39 21.257 -4.984 12.975 302 HG22 VAL 39 HG22 VAL 39 20.365 -6.078 11.918 303 HG23 VAL 39 HG23 VAL 39 19.958 -4.363 11.956 304 H ASP 40 H ASP 40 19.210 -6.268 17.071 305 HA ASP 40 HA ASP 40 16.583 -7.584 16.805 306 HB2 ASP 40 HB2 ASP 40 18.390 -9.351 17.309 307 HB3 ASP 40 HB3 ASP 40 18.503 -8.605 18.901 308 H GLY 41 H GLY 41 15.102 -6.964 18.340 309 HA2 GLY 41 HA2 GLY 41 15.532 -5.918 20.858 310 HA3 GLY 41 HA3 GLY 41 15.796 -4.543 19.796 311 H VAL 42 H VAL 42 14.099 -3.253 19.716 312 HA VAL 42 HA VAL 42 11.423 -4.368 20.239 313 HB VAL 42 HB VAL 42 12.302 -1.522 19.682 314 HG11 VAL 42 HG11 VAL 42 9.649 -2.671 20.523 315 HG12 VAL 42 HG12 VAL 42 10.063 -0.962 20.664 316 HG13 VAL 42 HG13 VAL 42 10.008 -1.729 19.077 317 HG21 VAL 42 HG21 VAL 42 12.424 -3.178 22.035 318 HG22 VAL 42 HG22 VAL 42 13.044 -1.547 21.780 319 HG23 VAL 42 HG23 VAL 42 11.377 -1.784 22.305 320 H TRP 43 H TRP 43 9.657 -4.275 18.853 321 HA TRP 43 HA TRP 43 10.279 -3.572 16.022 322 HB2 TRP 43 HB2 TRP 43 9.389 -6.198 17.121 323 HB3 TRP 43 HB3 TRP 43 8.656 -5.669 15.610 324 HD1 TRP 43 HD1 TRP 43 11.850 -7.080 17.036 325 HE1 TRP 43 HE1 TRP 43 13.519 -7.519 15.127 326 HE3 TRP 43 HE3 TRP 43 9.384 -4.705 13.240 327 HZ2 TRP 43 HZ2 TRP 43 13.759 -6.936 12.375 328 HZ3 TRP 43 HZ3 TRP 43 10.401 -4.691 10.999 329 HH2 TRP 43 HH2 TRP 43 12.543 -5.784 10.578 330 H THR 44 H THR 44 9.103 -1.654 16.298 331 HA THR 44 HA THR 44 6.201 -2.015 16.882 332 HB THR 44 HB THR 44 6.208 0.520 16.990 333 HG1 THR 44 HG1 THR 44 8.104 1.579 16.909 334 HG21 THR 44 HG21 THR 44 7.418 0.559 19.217 335 HG22 THR 44 HG22 THR 44 7.856 -1.121 18.905 336 HG23 THR 44 HG23 THR 44 6.159 -0.663 19.044 337 H TYR 45 H TYR 45 4.643 -0.808 15.585 338 HA TYR 45 HA TYR 45 5.466 0.171 12.973 339 HB2 TYR 45 HB2 TYR 45 5.090 -1.621 11.672 340 HB3 TYR 45 HB3 TYR 45 5.120 -2.582 13.145 341 HD1 TYR 45 HD1 TYR 45 2.948 -0.970 10.652 342 HD2 TYR 45 HD2 TYR 45 3.100 -3.499 14.070 343 HE1 TYR 45 HE1 TYR 45 0.616 -1.641 10.251 344 HE2 TYR 45 HE2 TYR 45 0.768 -4.178 13.678 345 HH TYR 45 HH TYR 45 -0.771 -4.198 11.316 346 H ASP 46 H ASP 46 3.897 1.378 11.974 347 HA ASP 46 HA ASP 46 1.341 1.601 13.513 348 HB2 ASP 46 HB2 ASP 46 2.707 3.619 13.678 349 HB3 ASP 46 HB3 ASP 46 2.839 3.708 11.923 350 H ASP 47 H ASP 47 -0.415 0.927 12.509 351 HA ASP 47 HA ASP 47 -0.328 0.270 9.675 352 HB2 ASP 47 HB2 ASP 47 -1.593 -1.105 11.265 353 HB3 ASP 47 HB3 ASP 47 -2.634 0.263 11.649 354 H ALA 48 H ALA 48 -0.674 3.148 11.265 355 HA ALA 48 HA ALA 48 -2.741 4.236 9.445 356 HB1 ALA 48 HB1 ALA 48 -1.772 4.885 12.054 357 HB2 ALA 48 HB2 ALA 48 -1.563 6.287 11.003 358 HB3 ALA 48 HB3 ALA 48 -3.155 5.551 11.185 359 H THR 49 H THR 49 0.635 5.023 10.396 360 HA THR 49 HA THR 49 0.923 6.412 7.772 361 HB THR 49 HB THR 49 3.085 6.583 9.810 362 HG1 THR 49 HG1 THR 49 1.649 8.413 10.690 363 HG21 THR 49 HG21 THR 49 1.694 8.663 8.117 364 HG22 THR 49 HG22 THR 49 3.151 7.786 7.649 365 HG23 THR 49 HG23 THR 49 3.185 8.878 9.033 366 H LYS 50 H LYS 50 0.953 3.499 8.068 367 HA LYS 50 HA LYS 50 2.459 1.683 7.843 368 HB2 LYS 50 HB2 LYS 50 3.467 1.916 5.472 369 HB3 LYS 50 HB3 LYS 50 1.717 1.954 5.642 370 HG2 LYS 50 HG2 LYS 50 3.012 4.580 5.778 371 HG3 LYS 50 HG3 LYS 50 3.177 3.748 4.230 372 HD2 LYS 50 HD2 LYS 50 1.066 4.212 3.700 373 HD3 LYS 50 HD3 LYS 50 0.485 3.497 5.206 374 HE2 LYS 50 HE2 LYS 50 -0.106 5.546 5.839 375 HE3 LYS 50 HE3 LYS 50 1.611 5.925 5.965 376 HZ1 LYS 50 HZ1 LYS 50 1.541 6.584 3.599 377 HZ2 LYS 50 HZ2 LYS 50 0.560 7.547 4.585 378 HZ3 LYS 50 HZ3 LYS 50 -0.136 6.357 3.604 379 H THR 51 H THR 51 3.763 2.905 9.706 380 HA THR 51 HA THR 51 6.539 3.241 8.633 381 HB THR 51 HB THR 51 5.277 4.577 11.045 382 HG1 THR 51 HG1 THR 51 6.417 5.737 8.707 383 HG21 THR 51 HG21 THR 51 8.073 4.076 10.325 384 HG22 THR 51 HG22 THR 51 7.367 4.540 11.873 385 HG23 THR 51 HG23 THR 51 7.708 5.769 10.656 386 H PHE 52 H PHE 52 8.072 1.928 9.393 387 HA PHE 52 HA PHE 52 7.360 0.273 11.782 388 HB2 PHE 52 HB2 PHE 52 8.679 -0.454 9.180 389 HB3 PHE 52 HB3 PHE 52 9.054 -1.371 10.635 390 HD1 PHE 52 HD1 PHE 52 6.023 -0.037 8.908 391 HD2 PHE 52 HD2 PHE 52 7.856 -3.293 10.947 392 HE1 PHE 52 HE1 PHE 52 3.992 -1.386 8.575 393 HE2 PHE 52 HE2 PHE 52 5.829 -4.646 10.617 394 HZ PHE 52 HZ PHE 52 3.893 -3.694 9.429 395 H THR 53 H THR 53 8.768 0.165 13.428 396 HA THR 53 HA THR 53 11.415 1.499 12.999 397 HB THR 53 HB THR 53 10.110 1.431 15.701 398 HG1 THR 53 HG1 THR 53 8.911 3.220 15.230 399 HG21 THR 53 HG21 THR 53 11.772 3.594 14.430 400 HG22 THR 53 HG22 THR 53 12.498 2.196 15.224 401 HG23 THR 53 HG23 THR 53 11.476 3.301 16.143 402 H VAL 54 H VAL 54 13.226 0.616 13.953 403 HA VAL 54 HA VAL 54 12.826 -1.936 15.440 404 HB VAL 54 HB VAL 54 14.650 -1.551 13.055 405 HG11 VAL 54 HG11 VAL 54 14.982 -4.131 13.690 406 HG12 VAL 54 HG12 VAL 54 16.042 -2.850 14.282 407 HG13 VAL 54 HG13 VAL 54 14.743 -3.466 15.305 408 HG21 VAL 54 HG21 VAL 54 12.345 -3.422 13.584 409 HG22 VAL 54 HG22 VAL 54 12.379 -2.085 12.435 410 HG23 VAL 54 HG23 VAL 54 13.400 -3.498 12.173 411 H THR 55 H THR 55 13.416 -0.932 17.359 412 HA THR 55 HA THR 55 16.058 0.396 17.457 413 HB THR 55 HB THR 55 13.962 -0.018 19.609 414 HG1 THR 55 HG1 THR 55 14.599 2.092 17.841 415 HG21 THR 55 HG21 THR 55 16.667 1.266 19.635 416 HG22 THR 55 HG22 THR 55 15.925 0.200 20.828 417 HG23 THR 55 HG23 THR 55 15.387 1.873 20.684 418 H GLU 56 H GLU 56 17.864 -0.430 18.343 419 HA GLU 56 HA GLU 56 17.693 -3.266 19.228 420 HB2 GLU 56 HB2 GLU 56 19.358 -2.136 17.432 421 HB3 GLU 56 HB3 GLU 56 20.324 -1.923 18.885 422 HG2 GLU 56 HG2 GLU 56 19.780 -4.453 19.256 423 HG3 GLU 56 HG3 GLU 56 19.483 -4.428 17.519 Start of MODEL 46 1 H1 MET 1 H MET 1 0.368 1.809 -0.511 2 HA MET 1 HA MET 1 0.767 -0.888 -0.195 3 HB2 MET 1 HB2 MET 1 0.766 0.976 -2.381 4 HB3 MET 1 HB3 MET 1 2.045 -0.207 -2.620 5 HG2 MET 1 HG2 MET 1 0.498 -2.013 -2.514 6 HG3 MET 1 HG3 MET 1 -0.804 -0.938 -2.007 7 HE1 MET 1 HE1 MET 1 1.358 -1.732 -5.660 8 HE2 MET 1 HE2 MET 1 0.824 -2.817 -4.376 9 HE3 MET 1 HE3 MET 1 -0.164 -2.608 -5.823 10 H GLN 2 H GLN 2 3.082 1.685 -0.001 11 HA GLN 2 HA GLN 2 5.283 -0.336 0.065 12 HB2 GLN 2 HB2 GLN 2 6.744 1.763 -0.192 13 HB3 GLN 2 HB3 GLN 2 5.826 1.234 -1.596 14 HG2 GLN 2 HG2 GLN 2 4.111 2.920 -1.081 15 HG3 GLN 2 HG3 GLN 2 5.095 3.476 0.273 16 HE21 GLN 2 HE21 GLN 2 4.495 5.356 -1.429 17 HE22 GLN 2 HE22 GLN 2 5.814 5.755 -2.470 18 H TYR 3 H TYR 3 6.330 -0.719 1.904 19 HA TYR 3 HA TYR 3 5.714 1.098 4.198 20 HB2 TYR 3 HB2 TYR 3 6.634 -1.786 4.330 21 HB3 TYR 3 HB3 TYR 3 6.029 -0.795 5.654 22 HD1 TYR 3 HD1 TYR 3 3.596 -0.006 5.523 23 HD2 TYR 3 HD2 TYR 3 5.170 -3.109 3.075 24 HE1 TYR 3 HE1 TYR 3 1.313 -0.815 5.092 25 HE2 TYR 3 HE2 TYR 3 2.892 -3.926 2.636 26 HH TYR 3 HH TYR 3 0.182 -2.856 4.410 27 H LYS 4 H LYS 4 7.361 1.587 5.712 28 HA LYS 4 HA LYS 4 10.128 1.114 4.690 29 HB2 LYS 4 HB2 LYS 4 9.469 3.392 4.097 30 HB3 LYS 4 HB3 LYS 4 8.998 3.716 5.761 31 HG2 LYS 4 HG2 LYS 4 11.520 3.012 6.203 32 HG3 LYS 4 HG3 LYS 4 11.691 3.578 4.540 33 HD2 LYS 4 HD2 LYS 4 10.251 5.238 6.577 34 HD3 LYS 4 HD3 LYS 4 12.014 5.259 6.484 35 HE2 LYS 4 HE2 LYS 4 11.717 5.754 4.006 36 HE3 LYS 4 HE3 LYS 4 10.022 6.063 4.380 37 HZ1 LYS 4 HZ1 LYS 4 12.339 7.688 4.896 38 HZ2 LYS 4 HZ2 LYS 4 11.322 7.529 6.237 39 HZ3 LYS 4 HZ3 LYS 4 10.711 8.133 4.780 40 H LEU 5 H LEU 5 11.550 0.418 6.156 41 HA LEU 5 HA LEU 5 10.649 0.456 9.006 42 HB2 LEU 5 HB2 LEU 5 10.869 -1.770 8.572 43 HB3 LEU 5 HB3 LEU 5 12.087 -1.524 7.322 44 HG LEU 5 HG LEU 5 13.777 -1.142 9.070 45 HD11 LEU 5 HD11 LEU 5 13.344 -1.337 11.351 46 HD12 LEU 5 HD12 LEU 5 11.770 -2.085 11.086 47 HD13 LEU 5 HD13 LEU 5 11.998 -0.370 10.749 48 HD21 LEU 5 HD21 LEU 5 12.886 -3.486 8.152 49 HD22 LEU 5 HD22 LEU 5 12.549 -3.715 9.868 50 HD23 LEU 5 HD23 LEU 5 14.191 -3.355 9.332 51 H VAL 6 H VAL 6 11.665 1.821 10.291 52 HA VAL 6 HA VAL 6 14.401 2.709 9.499 53 HB VAL 6 HB VAL 6 12.426 3.961 11.426 54 HG11 VAL 6 HG11 VAL 6 15.268 4.511 10.800 55 HG12 VAL 6 HG12 VAL 6 14.197 5.903 10.978 56 HG13 VAL 6 HG13 VAL 6 14.370 4.746 12.299 57 HG21 VAL 6 HG21 VAL 6 11.504 4.817 9.590 58 HG22 VAL 6 HG22 VAL 6 12.999 5.722 9.348 59 HG23 VAL 6 HG23 VAL 6 12.779 4.156 8.565 60 H ILE 7 H ILE 7 15.974 1.584 10.423 61 HA ILE 7 HA ILE 7 15.535 0.466 13.134 62 HB ILE 7 HB ILE 7 17.845 0.095 11.209 63 HG12 ILE 7 HG12 ILE 7 15.826 -1.997 11.956 64 HG13 ILE 7 HG13 ILE 7 15.469 -0.840 10.678 65 HG21 ILE 7 HG21 ILE 7 18.219 -1.924 12.784 66 HG22 ILE 7 HG22 ILE 7 18.770 -0.328 13.290 67 HG23 ILE 7 HG23 ILE 7 17.268 -0.987 13.937 68 HD11 ILE 7 HD11 ILE 7 16.682 -3.225 10.305 69 HD12 ILE 7 HD12 ILE 7 16.847 -1.839 9.227 70 HD13 ILE 7 HD13 ILE 7 18.077 -2.156 10.451 71 H ASN 8 H ASN 8 16.640 1.046 14.937 72 HA ASN 8 HA ASN 8 18.549 3.328 14.613 73 HB2 ASN 8 HB2 ASN 8 16.178 2.996 16.351 74 HB3 ASN 8 HB3 ASN 8 17.609 3.629 17.159 75 HD21 ASN 8 HD21 ASN 8 18.779 5.288 15.573 76 HD22 ASN 8 HD22 ASN 8 17.732 6.541 15.007 77 H GLY 9 H GLY 9 20.024 1.361 14.429 78 HA2 GLY 9 HA2 GLY 9 20.575 0.086 17.035 79 HA3 GLY 9 HA3 GLY 9 21.331 -0.301 15.496 80 H LYS 10 H LYS 10 22.574 0.120 18.103 81 HA LYS 10 HA LYS 10 23.797 2.716 18.172 82 HB2 LYS 10 HB2 LYS 10 25.009 0.178 19.277 83 HB3 LYS 10 HB3 LYS 10 25.205 1.822 19.868 84 HG2 LYS 10 HG2 LYS 10 23.594 1.412 21.328 85 HG3 LYS 10 HG3 LYS 10 22.462 1.330 19.976 86 HD2 LYS 10 HD2 LYS 10 22.080 -0.776 20.621 87 HD3 LYS 10 HD3 LYS 10 23.665 -1.149 19.940 88 HE2 LYS 10 HE2 LYS 10 23.904 -1.998 22.056 89 HE3 LYS 10 HE3 LYS 10 24.512 -0.360 22.294 90 HZ1 LYS 10 HZ1 LYS 10 23.008 -0.162 23.891 91 HZ2 LYS 10 HZ2 LYS 10 22.271 -1.630 23.490 92 HZ3 LYS 10 HZ3 LYS 10 21.798 -0.205 22.710 93 H THR 11 H THR 11 24.440 -0.199 16.374 94 HA THR 11 HA THR 11 26.900 1.114 15.282 95 HB THR 11 HB THR 11 26.878 -1.742 14.826 96 HG1 THR 11 HG1 THR 11 26.339 -0.836 17.426 97 HG21 THR 11 HG21 THR 11 29.111 -1.598 15.540 98 HG22 THR 11 HG22 THR 11 28.787 -0.196 16.559 99 HG23 THR 11 HG23 THR 11 28.786 -0.030 14.804 100 H LEU 12 H LEU 12 23.821 0.709 14.592 101 HA LEU 12 HA LEU 12 24.367 0.499 11.698 102 HB2 LEU 12 HB2 LEU 12 23.364 -1.689 13.153 103 HB3 LEU 12 HB3 LEU 12 21.982 -1.005 12.300 104 HG LEU 12 HG LEU 12 23.078 -1.316 10.176 105 HD11 LEU 12 HD11 LEU 12 25.281 -2.580 10.161 106 HD12 LEU 12 HD12 LEU 12 25.433 -2.123 11.857 107 HD13 LEU 12 HD13 LEU 12 25.343 -0.876 10.612 108 HD21 LEU 12 HD21 LEU 12 21.912 -3.239 10.654 109 HD22 LEU 12 HD22 LEU 12 22.919 -3.636 12.046 110 HD23 LEU 12 HD23 LEU 12 23.538 -3.879 10.412 111 H LYS 13 H LYS 13 23.346 2.078 10.684 112 HA LYS 13 HA LYS 13 20.670 2.904 11.660 113 HB2 LYS 13 HB2 LYS 13 23.117 4.644 11.541 114 HB3 LYS 13 HB3 LYS 13 21.533 5.347 11.244 115 HG2 LYS 13 HG2 LYS 13 21.174 5.496 13.419 116 HG3 LYS 13 HG3 LYS 13 21.374 3.750 13.590 117 HD2 LYS 13 HD2 LYS 13 23.478 3.943 14.379 118 HD3 LYS 13 HD3 LYS 13 23.874 5.272 13.286 119 HE2 LYS 13 HE2 LYS 13 21.962 5.778 15.511 120 HE3 LYS 13 HE3 LYS 13 23.677 5.638 15.893 121 HZ1 LYS 13 HZ1 LYS 13 24.097 7.625 15.012 122 HZ2 LYS 13 HZ2 LYS 13 22.427 7.892 15.055 123 HZ3 LYS 13 HZ3 LYS 13 23.157 7.332 13.636 124 H GLY 14 H GLY 14 19.986 1.806 9.735 125 HA2 GLY 14 HA2 GLY 14 20.403 3.527 7.329 126 HA3 GLY 14 HA3 GLY 14 20.506 1.776 7.212 127 H GLU 15 H GLU 15 18.808 2.628 5.510 128 HA GLU 15 HA GLU 15 16.143 2.385 6.853 129 HB2 GLU 15 HB2 GLU 15 17.121 4.223 4.738 130 HB3 GLU 15 HB3 GLU 15 15.522 3.539 4.481 131 HG2 GLU 15 HG2 GLU 15 14.786 5.234 5.716 132 HG3 GLU 15 HG3 GLU 15 15.399 4.323 7.095 133 H THR 16 H THR 16 14.499 1.237 5.725 134 HA THR 16 HA THR 16 15.388 -0.370 3.400 135 HB THR 16 HB THR 16 16.012 -1.929 5.029 136 HG1 THR 16 HG1 THR 16 14.795 -3.311 3.986 137 HG21 THR 16 HG21 THR 16 15.396 -1.221 7.108 138 HG22 THR 16 HG22 THR 16 14.163 -2.461 6.878 139 HG23 THR 16 HG23 THR 16 13.773 -0.765 6.591 140 H THR 17 H THR 17 13.874 0.384 2.025 141 HA THR 17 HA THR 17 11.038 0.327 2.951 142 HB THR 17 HB THR 17 10.515 1.916 1.325 143 HG1 THR 17 HG1 THR 17 12.292 2.387 -0.332 144 HG21 THR 17 HG21 THR 17 12.503 2.498 3.081 145 HG22 THR 17 HG22 THR 17 11.732 3.683 2.027 146 HG23 THR 17 HG23 THR 17 13.263 2.945 1.555 147 H THR 18 H THR 18 9.491 -0.875 1.950 148 HA THR 18 HA THR 18 10.176 -2.328 -0.523 149 HB THR 18 HB THR 18 11.004 -3.754 1.397 150 HG1 THR 18 HG1 THR 18 10.594 -5.319 0.042 151 HG21 THR 18 HG21 THR 18 8.297 -4.699 2.005 152 HG22 THR 18 HG22 THR 18 8.647 -3.078 2.605 153 HG23 THR 18 HG23 THR 18 9.672 -4.433 3.076 154 H LYS 19 H LYS 19 8.204 -4.031 -0.854 155 HA LYS 19 HA LYS 19 5.710 -2.490 -0.264 156 HB2 LYS 19 HB2 LYS 19 4.922 -2.804 -2.472 157 HB3 LYS 19 HB3 LYS 19 6.589 -2.273 -2.650 158 HG2 LYS 19 HG2 LYS 19 6.725 -5.054 -2.541 159 HG3 LYS 19 HG3 LYS 19 5.327 -4.694 -3.558 160 HD2 LYS 19 HD2 LYS 19 8.004 -3.375 -3.946 161 HD3 LYS 19 HD3 LYS 19 7.565 -4.890 -4.738 162 HE2 LYS 19 HE2 LYS 19 6.499 -3.757 -6.321 163 HE3 LYS 19 HE3 LYS 19 5.432 -3.054 -5.107 164 HZ1 LYS 19 HZ1 LYS 19 6.367 -1.186 -5.983 165 HZ2 LYS 19 HZ2 LYS 19 7.843 -1.931 -6.336 166 HZ3 LYS 19 HZ3 LYS 19 7.478 -1.488 -4.745 167 H ALA 20 H ALA 20 3.809 -3.673 0.021 168 HA ALA 20 HA ALA 20 3.853 -6.582 -0.216 169 HB1 ALA 20 HB1 ALA 20 4.805 -6.874 1.813 170 HB2 ALA 20 HB2 ALA 20 4.352 -5.269 2.387 171 HB3 ALA 20 HB3 ALA 20 3.166 -6.574 2.389 172 H VAL 21 H VAL 21 1.830 -7.457 -0.286 173 HA VAL 21 HA VAL 21 -0.347 -5.828 -0.935 174 HB VAL 21 HB VAL 21 -1.777 -7.831 -0.384 175 HG11 VAL 21 HG11 VAL 21 0.551 -8.825 -1.945 176 HG12 VAL 21 HG12 VAL 21 -1.172 -8.887 -2.319 177 HG13 VAL 21 HG13 VAL 21 -0.280 -7.378 -2.513 178 HG21 VAL 21 HG21 VAL 21 -0.515 -9.934 0.141 179 HG22 VAL 21 HG22 VAL 21 0.878 -8.925 0.529 180 HG23 VAL 21 HG23 VAL 21 -0.608 -8.774 1.467 181 H ASP 22 H ASP 22 0.568 -7.175 2.233 182 HA ASP 22 HA ASP 22 -1.242 -5.168 3.477 183 HB2 ASP 22 HB2 ASP 22 -2.155 -6.775 5.024 184 HB3 ASP 22 HB3 ASP 22 -2.406 -7.390 3.392 185 H ALA 23 H ALA 23 -0.879 -5.386 6.032 186 HA ALA 23 HA ALA 23 1.877 -4.622 6.414 187 HB1 ALA 23 HB1 ALA 23 0.841 -5.009 8.941 188 HB2 ALA 23 HB2 ALA 23 0.761 -3.516 8.005 189 HB3 ALA 23 HB3 ALA 23 -0.590 -4.649 7.974 190 H GLU 24 H GLU 24 -0.065 -7.465 7.383 191 HA GLU 24 HA GLU 24 1.820 -8.789 8.957 192 HB2 GLU 24 HB2 GLU 24 -0.373 -9.695 8.761 193 HB3 GLU 24 HB3 GLU 24 -0.237 -9.854 7.016 194 HG2 GLU 24 HG2 GLU 24 1.357 -11.634 7.247 195 HG3 GLU 24 HG3 GLU 24 1.404 -11.415 8.995 196 H THR 25 H THR 25 1.568 -8.674 5.412 197 HA THR 25 HA THR 25 3.629 -10.614 4.923 198 HB THR 25 HB THR 25 2.518 -8.375 3.215 199 HG1 THR 25 HG1 THR 25 2.077 -11.161 3.455 200 HG21 THR 25 HG21 THR 25 4.518 -10.519 2.497 201 HG22 THR 25 HG22 THR 25 4.760 -8.772 2.439 202 HG23 THR 25 HG23 THR 25 3.639 -9.545 1.319 203 H ALA 26 H ALA 26 3.633 -7.042 5.098 204 HA ALA 26 HA ALA 26 6.409 -6.752 4.449 205 HB1 ALA 26 HB1 ALA 26 5.111 -4.767 6.242 206 HB2 ALA 26 HB2 ALA 26 6.075 -4.525 4.784 207 HB3 ALA 26 HB3 ALA 26 4.389 -5.025 4.653 208 H GLU 27 H GLU 27 4.654 -7.141 7.519 209 HA GLU 27 HA GLU 27 6.710 -6.550 9.321 210 HB2 GLU 27 HB2 GLU 27 4.348 -7.126 9.901 211 HB3 GLU 27 HB3 GLU 27 4.715 -8.816 9.587 212 HG2 GLU 27 HG2 GLU 27 6.041 -9.019 11.460 213 HG3 GLU 27 HG3 GLU 27 6.357 -7.287 11.551 214 H LYS 28 H LYS 28 5.899 -9.799 8.017 215 HA LYS 28 HA LYS 28 8.178 -11.085 9.144 216 HB2 LYS 28 HB2 LYS 28 5.949 -11.851 7.675 217 HB3 LYS 28 HB3 LYS 28 7.289 -12.215 6.594 218 HG2 LYS 28 HG2 LYS 28 7.763 -14.046 7.738 219 HG3 LYS 28 HG3 LYS 28 7.937 -13.113 9.227 220 HD2 LYS 28 HD2 LYS 28 5.865 -13.649 9.957 221 HD3 LYS 28 HD3 LYS 28 5.168 -13.600 8.336 222 HE2 LYS 28 HE2 LYS 28 6.467 -15.768 7.920 223 HE3 LYS 28 HE3 LYS 28 6.667 -15.834 9.670 224 HZ1 LYS 28 HZ1 LYS 28 4.086 -15.776 8.202 225 HZ2 LYS 28 HZ2 LYS 28 4.242 -15.758 9.886 226 HZ3 LYS 28 HZ3 LYS 28 4.752 -17.108 9.005 227 H ALA 29 H ALA 29 7.674 -9.364 6.094 228 HA ALA 29 HA ALA 29 10.076 -10.194 4.802 229 HB1 ALA 29 HB1 ALA 29 8.153 -9.020 3.727 230 HB2 ALA 29 HB2 ALA 29 8.689 -7.527 4.498 231 HB3 ALA 29 HB3 ALA 29 9.729 -8.336 3.326 232 H PHE 30 H PHE 30 9.369 -7.209 6.672 233 HA PHE 30 HA PHE 30 12.041 -6.217 6.565 234 HB2 PHE 30 HB2 PHE 30 9.751 -5.728 8.482 235 HB3 PHE 30 HB3 PHE 30 11.291 -4.886 8.615 236 HD1 PHE 30 HD2 PHE 30 12.053 -4.150 6.003 237 HD2 PHE 30 HD1 PHE 30 8.129 -4.355 7.639 238 HE1 PHE 30 HE2 PHE 30 11.284 -2.488 4.360 239 HE2 PHE 30 HE1 PHE 30 7.354 -2.694 5.998 240 HZ PHE 30 HZ PHE 30 8.933 -1.757 4.356 241 H LYS 31 H LYS 31 10.375 -8.376 8.831 242 HA LYS 31 HA LYS 31 12.353 -8.400 10.867 243 HB2 LYS 31 HB2 LYS 31 9.968 -9.443 10.786 244 HB3 LYS 31 HB3 LYS 31 10.775 -10.851 10.109 245 HG2 LYS 31 HG2 LYS 31 11.872 -11.336 12.063 246 HG3 LYS 31 HG3 LYS 31 11.815 -9.667 12.636 247 HD2 LYS 31 HD2 LYS 31 9.234 -11.092 12.280 248 HD3 LYS 31 HD3 LYS 31 10.251 -11.570 13.641 249 HE2 LYS 31 HE2 LYS 31 9.402 -9.848 14.765 250 HE3 LYS 31 HE3 LYS 31 10.282 -8.785 13.667 251 HZ1 LYS 31 HZ1 LYS 31 8.407 -8.164 12.666 252 HZ2 LYS 31 HZ2 LYS 31 7.594 -8.835 13.989 253 HZ3 LYS 31 HZ3 LYS 31 7.804 -9.742 12.577 254 H GLN 32 H GLN 32 12.408 -9.650 7.666 255 HA GLN 32 HA GLN 32 14.450 -11.680 8.254 256 HB2 GLN 32 HB2 GLN 32 12.587 -11.507 6.313 257 HB3 GLN 32 HB3 GLN 32 13.948 -10.788 5.462 258 HG2 GLN 32 HG2 GLN 32 15.086 -13.003 6.571 259 HG3 GLN 32 HG3 GLN 32 13.453 -13.564 6.215 260 HE21 GLN 32 HE21 GLN 32 16.176 -11.838 4.757 261 HE22 GLN 32 HE22 GLN 32 15.948 -12.466 3.164 262 H TYR 33 H TYR 33 14.356 -8.328 7.746 263 HA TYR 33 HA TYR 33 17.030 -8.210 6.502 264 HB2 TYR 33 HB2 TYR 33 15.015 -6.611 6.075 265 HB3 TYR 33 HB3 TYR 33 15.515 -5.837 7.575 266 HD1 TYR 33 HD1 TYR 33 17.231 -7.142 4.511 267 HD2 TYR 33 HD2 TYR 33 16.770 -3.936 7.271 268 HE1 TYR 33 HE1 TYR 33 18.912 -5.842 3.273 269 HE2 TYR 33 HE2 TYR 33 18.449 -2.627 6.040 270 HH TYR 33 HH TYR 33 19.933 -3.873 3.069 271 H ALA 34 H ALA 34 15.507 -6.829 9.452 272 HA ALA 34 HA ALA 34 17.848 -5.981 10.718 273 HB1 ALA 34 HB1 ALA 34 16.237 -6.943 12.785 274 HB2 ALA 34 HB2 ALA 34 16.233 -5.317 12.099 275 HB3 ALA 34 HB3 ALA 34 15.113 -6.535 11.488 276 H ASN 35 H ASN 35 16.237 -9.174 11.029 277 HA ASN 35 HA ASN 35 18.081 -10.310 12.837 278 HB2 ASN 35 HB2 ASN 35 15.950 -11.369 12.270 279 HB3 ASN 35 HB3 ASN 35 16.499 -11.652 10.621 280 HD21 ASN 35 HD21 ASN 35 15.928 -13.877 11.160 281 HD22 ASN 35 HD22 ASN 35 17.102 -14.866 11.953 282 H ASP 36 H ASP 36 18.256 -9.850 9.348 283 HA ASP 36 HA ASP 36 20.706 -11.486 9.170 284 HB2 ASP 36 HB2 ASP 36 18.704 -10.970 7.388 285 HB3 ASP 36 HB3 ASP 36 19.918 -9.805 6.868 286 H ASN 37 H ASN 37 19.947 -8.402 10.158 287 HA ASN 37 HA ASN 37 22.578 -7.344 9.207 288 HB2 ASN 37 HB2 ASN 37 19.957 -6.010 9.851 289 HB3 ASN 37 HB3 ASN 37 21.461 -5.100 9.963 290 HD21 ASN 37 HD21 ASN 37 18.968 -5.928 7.980 291 HD22 ASN 37 HD22 ASN 37 19.702 -5.605 6.449 292 H GLY 38 H GLY 38 21.375 -8.934 11.730 293 HA2 GLY 38 HA2 GLY 38 22.193 -9.160 13.891 294 HA3 GLY 38 HA3 GLY 38 23.395 -7.930 13.534 295 H VAL 39 H VAL 39 19.841 -7.716 13.442 296 HA VAL 39 HA VAL 39 20.048 -5.690 15.637 297 HB VAL 39 HB VAL 39 18.174 -5.616 13.256 298 HG11 VAL 39 HG11 VAL 39 17.457 -3.461 14.127 299 HG12 VAL 39 HG12 VAL 39 17.171 -4.734 15.316 300 HG13 VAL 39 HG13 VAL 39 18.542 -3.640 15.506 301 HG21 VAL 39 HG21 VAL 39 20.396 -5.028 12.564 302 HG22 VAL 39 HG22 VAL 39 19.440 -3.551 12.677 303 HG23 VAL 39 HG23 VAL 39 20.593 -3.954 13.949 304 H ASP 40 H ASP 40 18.519 -5.718 17.227 305 HA ASP 40 HA ASP 40 16.091 -7.283 16.989 306 HB2 ASP 40 HB2 ASP 40 18.030 -8.975 17.395 307 HB3 ASP 40 HB3 ASP 40 18.022 -8.349 19.042 308 H GLY 41 H GLY 41 14.610 -6.324 18.207 309 HA2 GLY 41 HA2 GLY 41 15.012 -5.568 20.918 310 HA3 GLY 41 HA3 GLY 41 15.258 -4.146 19.913 311 H VAL 42 H VAL 42 13.545 -2.887 19.764 312 HA VAL 42 HA VAL 42 10.885 -4.039 20.304 313 HB VAL 42 HB VAL 42 11.720 -1.180 19.746 314 HG11 VAL 42 HG11 VAL 42 9.419 -0.839 20.951 315 HG12 VAL 42 HG12 VAL 42 9.483 -1.152 19.216 316 HG13 VAL 42 HG13 VAL 42 9.091 -2.458 20.334 317 HG21 VAL 42 HG21 VAL 42 12.641 -2.173 21.829 318 HG22 VAL 42 HG22 VAL 42 11.539 -0.827 22.119 319 HG23 VAL 42 HG23 VAL 42 10.990 -2.484 22.365 320 H TRP 43 H TRP 43 9.118 -3.975 18.919 321 HA TRP 43 HA TRP 43 9.742 -3.282 16.083 322 HB2 TRP 43 HB2 TRP 43 8.765 -5.879 17.204 323 HB3 TRP 43 HB3 TRP 43 8.129 -5.353 15.647 324 HD1 TRP 43 HD1 TRP 43 11.372 -6.505 17.323 325 HE1 TRP 43 HE1 TRP 43 13.061 -7.147 15.490 326 HE3 TRP 43 HE3 TRP 43 8.773 -4.896 13.225 327 HZ2 TRP 43 HZ2 TRP 43 13.265 -6.990 12.679 328 HZ3 TRP 43 HZ3 TRP 43 9.785 -5.178 11.001 329 HH2 TRP 43 HH2 TRP 43 11.985 -6.204 10.735 330 H THR 44 H THR 44 8.590 -1.345 16.345 331 HA THR 44 HA THR 44 5.755 -1.536 17.142 332 HB THR 44 HB THR 44 5.911 1.007 16.462 333 HG1 THR 44 HG1 THR 44 8.273 1.537 17.076 334 HG21 THR 44 HG21 THR 44 6.157 1.472 18.681 335 HG22 THR 44 HG22 THR 44 7.554 0.411 18.861 336 HG23 THR 44 HG23 THR 44 5.929 -0.272 18.801 337 H TYR 45 H TYR 45 4.110 -0.365 15.787 338 HA TYR 45 HA TYR 45 4.632 -0.237 12.919 339 HB2 TYR 45 HB2 TYR 45 4.330 -2.564 12.876 340 HB3 TYR 45 HB3 TYR 45 3.080 -2.527 14.114 341 HD1 TYR 45 HD2 TYR 45 3.804 -1.951 10.556 342 HD2 TYR 45 HD1 TYR 45 0.782 -2.097 13.547 343 HE1 TYR 45 HE2 TYR 45 2.079 -1.959 8.804 344 HE2 TYR 45 HE1 TYR 45 -0.952 -2.106 11.803 345 HH TYR 45 HH TYR 45 -1.376 -1.981 9.627 346 H ASP 46 H ASP 46 3.175 1.017 11.860 347 HA ASP 46 HA ASP 46 0.740 1.810 13.399 348 HB2 ASP 46 HB2 ASP 46 2.422 3.578 13.645 349 HB3 ASP 46 HB3 ASP 46 2.614 3.664 11.896 350 H ASP 47 H ASP 47 -1.053 1.463 12.296 351 HA ASP 47 HA ASP 47 -0.908 0.812 9.454 352 HB2 ASP 47 HB2 ASP 47 -2.433 -0.370 11.008 353 HB3 ASP 47 HB3 ASP 47 -3.320 1.130 11.268 354 H ALA 48 H ALA 48 -0.794 3.681 11.004 355 HA ALA 48 HA ALA 48 -2.644 5.089 9.158 356 HB1 ALA 48 HB1 ALA 48 -2.495 5.598 11.645 357 HB2 ALA 48 HB2 ALA 48 -0.935 6.344 11.300 358 HB3 ALA 48 HB3 ALA 48 -2.400 6.977 10.549 359 H THR 49 H THR 49 0.735 5.543 10.307 360 HA THR 49 HA THR 49 1.342 6.770 7.659 361 HB THR 49 HB THR 49 3.439 6.796 9.739 362 HG1 THR 49 HG1 THR 49 1.810 7.184 11.166 363 HG21 THR 49 HG21 THR 49 3.513 8.043 7.582 364 HG22 THR 49 HG22 THR 49 3.699 9.074 9.000 365 HG23 THR 49 HG23 THR 49 2.157 9.018 8.147 366 H LYS 50 H LYS 50 1.023 3.898 7.972 367 HA LYS 50 HA LYS 50 2.318 1.915 7.892 368 HB2 LYS 50 HB2 LYS 50 3.539 1.990 5.609 369 HB3 LYS 50 HB3 LYS 50 1.796 2.223 5.635 370 HG2 LYS 50 HG2 LYS 50 3.362 4.692 5.854 371 HG3 LYS 50 HG3 LYS 50 3.552 3.820 4.330 372 HD2 LYS 50 HD2 LYS 50 1.556 4.512 3.631 373 HD3 LYS 50 HD3 LYS 50 0.782 3.885 5.089 374 HE2 LYS 50 HE2 LYS 50 0.375 5.994 5.668 375 HE3 LYS 50 HE3 LYS 50 2.109 6.185 5.921 376 HZ1 LYS 50 HZ1 LYS 50 1.546 7.883 4.458 377 HZ2 LYS 50 HZ2 LYS 50 0.509 6.906 3.546 378 HZ3 LYS 50 HZ3 LYS 50 2.184 6.692 3.439 379 H THR 51 H THR 51 3.603 3.007 9.845 380 HA THR 51 HA THR 51 6.477 2.949 9.008 381 HB THR 51 HB THR 51 5.197 4.601 11.204 382 HG1 THR 51 HG1 THR 51 6.510 5.225 8.758 383 HG21 THR 51 HG21 THR 51 8.031 3.837 10.681 384 HG22 THR 51 HG22 THR 51 7.191 4.069 12.214 385 HG23 THR 51 HG23 THR 51 7.687 5.466 11.260 386 H PHE 52 H PHE 52 7.732 1.473 9.948 387 HA PHE 52 HA PHE 52 6.496 -0.167 12.093 388 HB2 PHE 52 HB2 PHE 52 8.630 -0.613 10.043 389 HB3 PHE 52 HB3 PHE 52 8.695 -1.549 11.533 390 HD1 PHE 52 HD2 PHE 52 6.809 -0.903 8.464 391 HD2 PHE 52 HD1 PHE 52 7.047 -3.231 12.020 392 HE1 PHE 52 HE2 PHE 52 5.156 -2.475 7.542 393 HE2 PHE 52 HE1 PHE 52 5.395 -4.807 11.103 394 HZ PHE 52 HZ PHE 52 4.446 -4.429 8.862 395 H THR 53 H THR 53 9.808 0.991 11.320 396 HA THR 53 HA THR 53 11.441 1.870 12.679 397 HB THR 53 HB THR 53 9.356 2.292 14.831 398 HG1 THR 53 HG1 THR 53 9.991 4.037 12.667 399 HG21 THR 53 HG21 THR 53 10.799 3.853 15.727 400 HG22 THR 53 HG22 THR 53 11.615 4.139 14.190 401 HG23 THR 53 HG23 THR 53 11.939 2.664 15.100 402 H VAL 54 H VAL 54 12.979 0.763 13.680 403 HA VAL 54 HA VAL 54 12.127 -1.244 15.728 404 HB VAL 54 HB VAL 54 14.149 -1.600 13.507 405 HG11 VAL 54 HG11 VAL 54 15.252 -2.475 15.392 406 HG12 VAL 54 HG12 VAL 54 13.765 -3.168 16.043 407 HG13 VAL 54 HG13 VAL 54 14.509 -3.866 14.603 408 HG21 VAL 54 HG21 VAL 54 11.932 -3.471 14.253 409 HG22 VAL 54 HG22 VAL 54 11.623 -2.069 13.228 410 HG23 VAL 54 HG23 VAL 54 12.776 -3.301 12.713 411 H THR 55 H THR 55 12.899 -0.666 17.632 412 HA THR 55 HA THR 55 15.464 0.848 17.712 413 HB THR 55 HB THR 55 13.587 0.409 20.039 414 HG1 THR 55 HG1 THR 55 12.233 1.531 18.820 415 HG21 THR 55 HG21 THR 55 16.096 1.525 19.886 416 HG22 THR 55 HG22 THR 55 14.911 1.835 21.155 417 HG23 THR 55 HG23 THR 55 15.037 2.930 19.779 418 H GLU 56 H GLU 56 17.263 0.105 18.692 419 HA GLU 56 HA GLU 56 17.277 -2.745 19.398 420 HB2 GLU 56 HB2 GLU 56 19.255 -0.682 18.702 421 HB3 GLU 56 HB3 GLU 56 19.798 -1.788 19.956 422 HG2 GLU 56 HG2 GLU 56 18.532 -3.162 17.735 423 HG3 GLU 56 HG3 GLU 56 19.928 -2.206 17.241 Start of MODEL 47 1 H1 MET 1 H MET 1 0.631 2.135 -0.122 2 HA MET 1 HA MET 1 1.351 -0.545 -0.895 3 HB2 MET 1 HB2 MET 1 1.103 2.087 -2.278 4 HB3 MET 1 HB3 MET 1 2.077 0.834 -3.038 5 HG2 MET 1 HG2 MET 1 -0.188 -0.533 -2.379 6 HG3 MET 1 HG3 MET 1 -0.820 1.065 -2.770 7 HE1 MET 1 HE1 MET 1 -2.103 0.787 -4.655 8 HE2 MET 1 HE2 MET 1 -1.013 1.951 -5.411 9 HE3 MET 1 HE3 MET 1 -1.519 0.511 -6.296 10 H GLN 2 H GLN 2 2.918 0.964 1.189 11 HA GLN 2 HA GLN 2 5.485 -0.018 0.510 12 HB2 GLN 2 HB2 GLN 2 4.960 2.347 -0.862 13 HB3 GLN 2 HB3 GLN 2 5.907 2.872 0.524 14 HG2 GLN 2 HG2 GLN 2 7.777 1.752 -0.147 15 HG3 GLN 2 HG3 GLN 2 6.863 0.526 -1.024 16 HE21 GLN 2 HE21 GLN 2 8.999 1.519 -2.251 17 HE22 GLN 2 HE22 GLN 2 8.552 2.597 -3.525 18 H TYR 3 H TYR 3 6.595 -0.270 2.339 19 HA TYR 3 HA TYR 3 5.768 1.440 4.651 20 HB2 TYR 3 HB2 TYR 3 6.929 -1.343 4.865 21 HB3 TYR 3 HB3 TYR 3 6.083 -0.416 6.100 22 HD1 TYR 3 HD1 TYR 3 5.677 -2.392 3.022 23 HD2 TYR 3 HD2 TYR 3 3.685 -0.369 6.190 24 HE1 TYR 3 HE1 TYR 3 3.566 -3.478 2.379 25 HE2 TYR 3 HE2 TYR 3 1.568 -1.449 5.557 26 HH TYR 3 HH TYR 3 0.520 -2.645 3.948 27 H LYS 4 H LYS 4 7.371 1.978 6.219 28 HA LYS 4 HA LYS 4 10.114 2.011 5.027 29 HB2 LYS 4 HB2 LYS 4 9.080 4.232 5.299 30 HB3 LYS 4 HB3 LYS 4 8.847 3.921 7.015 31 HG2 LYS 4 HG2 LYS 4 10.771 5.343 6.659 32 HG3 LYS 4 HG3 LYS 4 11.272 3.783 7.316 33 HD2 LYS 4 HD2 LYS 4 12.610 3.444 5.574 34 HD3 LYS 4 HD3 LYS 4 11.255 3.642 4.460 35 HE2 LYS 4 HE2 LYS 4 12.251 6.152 5.585 36 HE3 LYS 4 HE3 LYS 4 13.439 5.284 4.614 37 HZ1 LYS 4 HZ1 LYS 4 11.086 6.696 3.784 38 HZ2 LYS 4 HZ2 LYS 4 11.172 5.139 3.128 39 HZ3 LYS 4 HZ3 LYS 4 12.440 6.232 2.882 40 H LEU 5 H LEU 5 11.682 0.943 6.023 41 HA LEU 5 HA LEU 5 11.132 0.001 8.802 42 HB2 LEU 5 HB2 LEU 5 11.478 -1.685 6.972 43 HB3 LEU 5 HB3 LEU 5 13.133 -1.096 6.823 44 HG LEU 5 HG LEU 5 13.467 -1.750 9.232 45 HD11 LEU 5 HD11 LEU 5 10.704 -2.802 8.792 46 HD12 LEU 5 HD12 LEU 5 11.365 -1.930 10.175 47 HD13 LEU 5 HD13 LEU 5 11.803 -3.616 9.905 48 HD21 LEU 5 HD21 LEU 5 13.525 -4.228 8.673 49 HD22 LEU 5 HD22 LEU 5 14.423 -3.152 7.603 50 HD23 LEU 5 HD23 LEU 5 12.853 -3.782 7.104 51 H VAL 6 H VAL 6 11.889 1.703 10.007 52 HA VAL 6 HA VAL 6 14.663 2.625 9.491 53 HB VAL 6 HB VAL 6 12.637 3.626 11.510 54 HG11 VAL 6 HG11 VAL 6 14.300 4.808 12.381 55 HG12 VAL 6 HG12 VAL 6 15.432 4.081 11.239 56 HG13 VAL 6 HG13 VAL 6 14.580 5.567 10.814 57 HG21 VAL 6 HG21 VAL 6 12.511 5.580 9.911 58 HG22 VAL 6 HG22 VAL 6 13.339 4.558 8.735 59 HG23 VAL 6 HG23 VAL 6 11.759 4.083 9.358 60 H ILE 7 H ILE 7 16.361 1.953 10.615 61 HA ILE 7 HA ILE 7 15.811 0.357 13.082 62 HB ILE 7 HB ILE 7 18.214 0.293 11.238 63 HG12 ILE 7 HG12 ILE 7 16.494 -2.082 11.708 64 HG13 ILE 7 HG13 ILE 7 15.809 -0.795 10.721 65 HG21 ILE 7 HG21 ILE 7 17.623 -1.047 13.847 66 HG22 ILE 7 HG22 ILE 7 18.676 -1.816 12.662 67 HG23 ILE 7 HG23 ILE 7 19.095 -0.233 13.318 68 HD11 ILE 7 HD11 ILE 7 16.993 -2.643 9.491 69 HD12 ILE 7 HD12 ILE 7 17.511 -1.002 9.107 70 HD13 ILE 7 HD13 ILE 7 18.495 -2.012 10.165 71 H ASN 8 H ASN 8 16.750 0.853 14.991 72 HA ASN 8 HA ASN 8 18.538 3.255 14.979 73 HB2 ASN 8 HB2 ASN 8 16.142 2.577 16.593 74 HB3 ASN 8 HB3 ASN 8 17.492 3.273 17.485 75 HD21 ASN 8 HD21 ASN 8 18.538 5.147 16.062 76 HD22 ASN 8 HD22 ASN 8 17.392 6.340 15.561 77 H GLY 9 H GLY 9 20.114 1.356 14.661 78 HA2 GLY 9 HA2 GLY 9 20.645 -0.165 17.116 79 HA3 GLY 9 HA3 GLY 9 21.542 -0.252 15.607 80 H LYS 10 H LYS 10 22.973 -0.322 17.874 81 HA LYS 10 HA LYS 10 23.756 2.344 18.733 82 HB2 LYS 10 HB2 LYS 10 24.439 -0.438 19.382 83 HB3 LYS 10 HB3 LYS 10 25.818 0.651 19.457 84 HG2 LYS 10 HG2 LYS 10 24.546 2.114 20.977 85 HG3 LYS 10 HG3 LYS 10 23.217 0.953 20.944 86 HD2 LYS 10 HD2 LYS 10 24.195 -0.067 22.667 87 HD3 LYS 10 HD3 LYS 10 25.468 -0.568 21.551 88 HE2 LYS 10 HE2 LYS 10 26.767 0.500 23.074 89 HE3 LYS 10 HE3 LYS 10 26.339 1.894 22.085 90 HZ1 LYS 10 HZ1 LYS 10 25.317 1.120 24.735 91 HZ2 LYS 10 HZ2 LYS 10 24.364 2.074 23.715 92 HZ3 LYS 10 HZ3 LYS 10 25.886 2.623 24.207 93 H THR 11 H THR 11 24.831 0.023 16.316 94 HA THR 11 HA THR 11 26.964 1.974 15.532 95 HB THR 11 HB THR 11 28.241 0.124 14.606 96 HG1 THR 11 HG1 THR 11 27.024 -1.525 14.026 97 HG21 THR 11 HG21 THR 11 28.043 0.682 17.226 98 HG22 THR 11 HG22 THR 11 29.138 -0.542 16.583 99 HG23 THR 11 HG23 THR 11 27.577 -1.018 17.253 100 H LEU 12 H LEU 12 24.796 -0.595 14.268 101 HA LEU 12 HA LEU 12 25.000 0.500 11.560 102 HB2 LEU 12 HB2 LEU 12 24.791 -1.902 11.935 103 HB3 LEU 12 HB3 LEU 12 23.234 -1.660 12.725 104 HG LEU 12 HG LEU 12 22.213 -1.015 10.655 105 HD11 LEU 12 HD11 LEU 12 23.479 0.107 9.205 106 HD12 LEU 12 HD12 LEU 12 24.031 -1.470 8.642 107 HD13 LEU 12 HD13 LEU 12 24.972 -0.584 9.842 108 HD21 LEU 12 HD21 LEU 12 23.901 -3.368 9.894 109 HD22 LEU 12 HD22 LEU 12 22.189 -3.076 9.587 110 HD23 LEU 12 HD23 LEU 12 22.737 -3.483 11.214 111 H LYS 13 H LYS 13 23.648 1.847 10.545 112 HA LYS 13 HA LYS 13 20.941 2.285 11.621 113 HB2 LYS 13 HB2 LYS 13 23.164 4.240 11.901 114 HB3 LYS 13 HB3 LYS 13 21.615 4.884 11.373 115 HG2 LYS 13 HG2 LYS 13 20.739 4.717 13.410 116 HG3 LYS 13 HG3 LYS 13 21.349 3.075 13.627 117 HD2 LYS 13 HD2 LYS 13 23.150 3.771 14.779 118 HD3 LYS 13 HD3 LYS 13 23.416 5.153 13.714 119 HE2 LYS 13 HE2 LYS 13 21.338 4.985 15.895 120 HE3 LYS 13 HE3 LYS 13 22.873 5.845 16.006 121 HZ1 LYS 13 HZ1 LYS 13 21.542 7.546 15.372 122 HZ2 LYS 13 HZ2 LYS 13 20.446 6.556 14.548 123 HZ3 LYS 13 HZ3 LYS 13 21.922 6.965 13.829 124 H GLY 14 H GLY 14 20.266 1.426 9.631 125 HA2 GLY 14 HA2 GLY 14 20.640 3.353 7.377 126 HA3 GLY 14 HA3 GLY 14 20.747 1.618 7.121 127 H GLU 15 H GLU 15 19.039 2.589 5.498 128 HA GLU 15 HA GLU 15 16.375 2.354 6.842 129 HB2 GLU 15 HB2 GLU 15 17.384 4.076 4.635 130 HB3 GLU 15 HB3 GLU 15 15.751 3.450 4.461 131 HG2 GLU 15 HG2 GLU 15 16.016 5.725 5.548 132 HG3 GLU 15 HG3 GLU 15 14.998 4.550 6.378 133 H THR 16 H THR 16 14.725 1.166 5.806 134 HA THR 16 HA THR 16 15.588 -0.546 3.537 135 HB THR 16 HB THR 16 14.079 -2.143 5.412 136 HG1 THR 16 HG1 THR 16 16.122 -2.244 6.834 137 HG21 THR 16 HG21 THR 16 16.935 -2.506 4.524 138 HG22 THR 16 HG22 THR 16 15.558 -2.848 3.477 139 HG23 THR 16 HG23 THR 16 15.769 -3.748 4.978 140 H THR 17 H THR 17 14.140 0.095 2.061 141 HA THR 17 HA THR 17 11.273 0.164 2.915 142 HB THR 17 HB THR 17 10.829 1.788 1.311 143 HG1 THR 17 HG1 THR 17 11.655 1.076 -0.564 144 HG21 THR 17 HG21 THR 17 12.452 3.551 1.596 145 HG22 THR 17 HG22 THR 17 13.702 2.382 2.026 146 HG23 THR 17 HG23 THR 17 12.329 2.642 3.102 147 H THR 18 H THR 18 9.736 -0.977 1.815 148 HA THR 18 HA THR 18 10.474 -2.407 -0.646 149 HB THR 18 HB THR 18 11.287 -3.881 1.227 150 HG1 THR 18 HG1 THR 18 10.799 -5.492 -0.062 151 HG21 THR 18 HG21 THR 18 9.950 -4.646 2.883 152 HG22 THR 18 HG22 THR 18 8.533 -4.743 1.837 153 HG23 THR 18 HG23 THR 18 9.018 -3.193 2.525 154 H LYS 19 H LYS 19 8.529 -4.060 -1.116 155 HA LYS 19 HA LYS 19 6.030 -2.502 -0.572 156 HB2 LYS 19 HB2 LYS 19 6.580 -2.219 -2.880 157 HB3 LYS 19 HB3 LYS 19 6.949 -3.927 -3.078 158 HG2 LYS 19 HG2 LYS 19 4.801 -3.269 -4.089 159 HG3 LYS 19 HG3 LYS 19 4.630 -4.511 -2.846 160 HD2 LYS 19 HD2 LYS 19 3.321 -3.200 -1.600 161 HD3 LYS 19 HD3 LYS 19 4.435 -1.838 -1.738 162 HE2 LYS 19 HE2 LYS 19 2.159 -1.409 -2.668 163 HE3 LYS 19 HE3 LYS 19 3.473 -1.171 -3.819 164 HZ1 LYS 19 HZ1 LYS 19 2.421 -3.843 -3.832 165 HZ2 LYS 19 HZ2 LYS 19 2.707 -2.789 -5.123 166 HZ3 LYS 19 HZ3 LYS 19 1.265 -2.679 -4.245 167 H ALA 20 H ALA 20 4.233 -3.576 0.068 168 HA ALA 20 HA ALA 20 4.086 -6.492 -0.169 169 HB1 ALA 20 HB1 ALA 20 5.137 -6.861 1.782 170 HB2 ALA 20 HB2 ALA 20 4.937 -5.196 2.330 171 HB3 ALA 20 HB3 ALA 20 3.613 -6.349 2.508 172 H VAL 21 H VAL 21 2.021 -7.343 0.312 173 HA VAL 21 HA VAL 21 -0.131 -5.563 -0.284 174 HB VAL 21 HB VAL 21 -0.391 -8.270 1.043 175 HG11 VAL 21 HG11 VAL 21 -2.561 -8.304 0.303 176 HG12 VAL 21 HG12 VAL 21 -2.360 -6.580 0.620 177 HG13 VAL 21 HG13 VAL 21 -2.241 -7.194 -1.029 178 HG21 VAL 21 HG21 VAL 21 -0.646 -8.963 -1.465 179 HG22 VAL 21 HG22 VAL 21 0.336 -7.527 -1.757 180 HG23 VAL 21 HG23 VAL 21 0.957 -8.828 -0.741 181 H ASP 22 H ASP 22 0.902 -7.108 2.774 182 HA ASP 22 HA ASP 22 -0.329 -4.879 4.252 183 HB2 ASP 22 HB2 ASP 22 -1.631 -6.376 5.728 184 HB3 ASP 22 HB3 ASP 22 -2.204 -6.436 4.063 185 H ALA 23 H ALA 23 0.154 -5.009 6.612 186 HA ALA 23 HA ALA 23 2.915 -5.389 7.031 187 HB1 ALA 23 HB1 ALA 23 2.432 -5.097 9.396 188 HB2 ALA 23 HB2 ALA 23 1.464 -3.980 8.434 189 HB3 ALA 23 HB3 ALA 23 0.722 -5.427 9.115 190 H GLU 24 H GLU 24 0.277 -7.667 7.159 191 HA GLU 24 HA GLU 24 1.326 -9.630 8.874 192 HB2 GLU 24 HB2 GLU 24 -0.890 -9.876 8.026 193 HB3 GLU 24 HB3 GLU 24 -0.335 -9.859 6.358 194 HG2 GLU 24 HG2 GLU 24 0.442 -12.028 6.452 195 HG3 GLU 24 HG3 GLU 24 0.587 -12.010 8.209 196 H THR 25 H THR 25 1.716 -9.417 5.309 197 HA THR 25 HA THR 25 3.855 -11.444 5.441 198 HB THR 25 HB THR 25 2.164 -11.440 3.597 199 HG1 THR 25 HG1 THR 25 3.764 -11.801 1.965 200 HG21 THR 25 HG21 THR 25 2.457 -8.790 3.463 201 HG22 THR 25 HG22 THR 25 1.935 -9.754 2.081 202 HG23 THR 25 HG23 THR 25 3.619 -9.252 2.220 203 H ALA 26 H ALA 26 3.476 -7.990 5.275 204 HA ALA 26 HA ALA 26 6.043 -7.381 4.127 205 HB1 ALA 26 HB1 ALA 26 5.559 -5.164 4.601 206 HB2 ALA 26 HB2 ALA 26 3.953 -5.880 4.459 207 HB3 ALA 26 HB3 ALA 26 4.638 -5.561 6.053 208 H GLU 27 H GLU 27 4.857 -7.494 7.509 209 HA GLU 27 HA GLU 27 7.200 -6.712 8.810 210 HB2 GLU 27 HB2 GLU 27 5.032 -7.165 9.919 211 HB3 GLU 27 HB3 GLU 27 5.282 -8.890 9.690 212 HG2 GLU 27 HG2 GLU 27 7.329 -8.731 11.072 213 HG3 GLU 27 HG3 GLU 27 6.947 -7.038 11.377 214 H LYS 28 H LYS 28 6.234 -10.057 7.936 215 HA LYS 28 HA LYS 28 8.504 -11.388 8.886 216 HB2 LYS 28 HB2 LYS 28 6.280 -12.024 7.317 217 HB3 LYS 28 HB3 LYS 28 7.657 -12.431 6.301 218 HG2 LYS 28 HG2 LYS 28 8.359 -14.104 7.677 219 HG3 LYS 28 HG3 LYS 28 7.695 -13.344 9.125 220 HD2 LYS 28 HD2 LYS 28 5.489 -13.901 7.502 221 HD3 LYS 28 HD3 LYS 28 6.522 -15.328 7.391 222 HE2 LYS 28 HE2 LYS 28 5.665 -14.035 9.977 223 HE3 LYS 28 HE3 LYS 28 4.859 -15.420 9.241 224 HZ1 LYS 28 HZ1 LYS 28 7.641 -15.299 10.264 225 HZ2 LYS 28 HZ2 LYS 28 7.033 -16.594 9.362 226 HZ3 LYS 28 HZ3 LYS 28 6.364 -16.227 10.872 227 H ALA 29 H ALA 29 8.124 -9.393 6.020 228 HA ALA 29 HA ALA 29 10.504 -10.273 4.673 229 HB1 ALA 29 HB1 ALA 29 9.390 -7.495 4.425 230 HB2 ALA 29 HB2 ALA 29 10.130 -8.517 3.192 231 HB3 ALA 29 HB3 ALA 29 8.511 -8.885 3.788 232 H PHE 30 H PHE 30 9.835 -7.783 7.109 233 HA PHE 30 HA PHE 30 12.508 -6.648 6.953 234 HB2 PHE 30 HB2 PHE 30 10.529 -6.391 9.231 235 HB3 PHE 30 HB3 PHE 30 11.837 -5.289 8.813 236 HD1 PHE 30 HD1 PHE 30 11.538 -4.886 5.976 237 HD2 PHE 30 HD2 PHE 30 8.543 -5.259 8.978 238 HE1 PHE 30 HE1 PHE 30 9.987 -3.573 4.589 239 HE2 PHE 30 HE2 PHE 30 6.988 -3.947 7.595 240 HZ PHE 30 HZ PHE 30 7.709 -3.103 5.397 241 H LYS 31 H LYS 31 10.838 -9.011 9.009 242 HA LYS 31 HA LYS 31 12.786 -9.283 11.027 243 HB2 LYS 31 HB2 LYS 31 10.767 -11.155 9.819 244 HB3 LYS 31 HB3 LYS 31 11.902 -11.749 11.024 245 HG2 LYS 31 HG2 LYS 31 10.168 -9.347 11.502 246 HG3 LYS 31 HG3 LYS 31 9.634 -10.992 11.856 247 HD2 LYS 31 HD2 LYS 31 11.546 -11.287 13.356 248 HD3 LYS 31 HD3 LYS 31 12.084 -9.645 12.997 249 HE2 LYS 31 HE2 LYS 31 9.959 -8.784 13.910 250 HE3 LYS 31 HE3 LYS 31 9.491 -10.433 14.325 251 HZ1 LYS 31 HZ1 LYS 31 11.273 -10.583 15.867 252 HZ2 LYS 31 HZ2 LYS 31 10.464 -9.132 16.187 253 HZ3 LYS 31 HZ3 LYS 31 11.939 -9.113 15.358 254 H GLN 32 H GLN 32 12.854 -10.260 7.694 255 HA GLN 32 HA GLN 32 15.019 -12.198 8.104 256 HB2 GLN 32 HB2 GLN 32 13.116 -11.822 6.144 257 HB3 GLN 32 HB3 GLN 32 14.573 -11.209 5.373 258 HG2 GLN 32 HG2 GLN 32 15.320 -13.608 6.599 259 HG3 GLN 32 HG3 GLN 32 13.757 -13.917 5.845 260 HE21 GLN 32 HE21 GLN 32 16.574 -11.946 4.966 261 HE22 GLN 32 HE22 GLN 32 16.777 -12.631 3.393 262 H TYR 33 H TYR 33 14.641 -8.806 7.384 263 HA TYR 33 HA TYR 33 17.347 -8.495 6.331 264 HB2 TYR 33 HB2 TYR 33 15.368 -7.017 5.764 265 HB3 TYR 33 HB3 TYR 33 15.503 -6.331 7.379 266 HD1 TYR 33 HD2 TYR 33 17.507 -6.913 4.289 267 HD2 TYR 33 HD1 TYR 33 16.880 -4.493 7.731 268 HE1 TYR 33 HE2 TYR 33 19.182 -5.313 3.462 269 HE2 TYR 33 HE1 TYR 33 18.552 -2.885 6.913 270 HH TYR 33 HH TYR 33 20.777 -3.372 4.973 271 H ALA 34 H ALA 34 15.748 -7.052 9.208 272 HA ALA 34 HA ALA 34 18.049 -6.194 10.516 273 HB1 ALA 34 HB1 ALA 34 16.233 -5.465 11.643 274 HB2 ALA 34 HB2 ALA 34 15.318 -6.946 11.359 275 HB3 ALA 34 HB3 ALA 34 16.535 -6.892 12.634 276 H ASN 35 H ASN 35 16.468 -9.397 10.775 277 HA ASN 35 HA ASN 35 18.197 -10.499 12.712 278 HB2 ASN 35 HB2 ASN 35 16.091 -11.544 11.887 279 HB3 ASN 35 HB3 ASN 35 16.906 -11.950 10.379 280 HD21 ASN 35 HD21 ASN 35 15.953 -14.054 11.397 281 HD22 ASN 35 HD22 ASN 35 17.093 -14.993 12.293 282 H ASP 36 H ASP 36 18.596 -10.093 9.227 283 HA ASP 36 HA ASP 36 21.102 -11.648 9.253 284 HB2 ASP 36 HB2 ASP 36 19.244 -11.332 7.334 285 HB3 ASP 36 HB3 ASP 36 20.324 -10.014 6.886 286 H ASN 37 H ASN 37 20.203 -8.588 10.155 287 HA ASN 37 HA ASN 37 22.862 -7.468 9.364 288 HB2 ASN 37 HB2 ASN 37 20.169 -6.180 9.769 289 HB3 ASN 37 HB3 ASN 37 21.646 -5.234 9.933 290 HD21 ASN 37 HD21 ASN 37 19.295 -6.198 7.840 291 HD22 ASN 37 HD22 ASN 37 20.116 -5.925 6.344 292 H GLY 38 H GLY 38 21.791 -9.141 11.763 293 HA2 GLY 38 HA2 GLY 38 22.299 -9.231 14.017 294 HA3 GLY 38 HA3 GLY 38 23.529 -8.015 13.706 295 H VAL 39 H VAL 39 19.986 -7.819 13.373 296 HA VAL 39 HA VAL 39 20.039 -5.729 15.516 297 HB VAL 39 HB VAL 39 18.267 -5.662 13.063 298 HG11 VAL 39 HG11 VAL 39 17.196 -3.981 14.049 299 HG12 VAL 39 HG12 VAL 39 18.065 -4.381 15.532 300 HG13 VAL 39 HG13 VAL 39 18.711 -3.164 14.431 301 HG21 VAL 39 HG21 VAL 39 20.564 -5.347 12.367 302 HG22 VAL 39 HG22 VAL 39 19.705 -3.809 12.295 303 HG23 VAL 39 HG23 VAL 39 20.810 -4.140 13.629 304 H ASP 40 H ASP 40 18.535 -5.871 17.072 305 HA ASP 40 HA ASP 40 16.033 -7.298 16.647 306 HB2 ASP 40 HB2 ASP 40 17.699 -9.156 17.016 307 HB3 ASP 40 HB3 ASP 40 17.990 -8.501 18.625 308 H GLY 41 H GLY 41 14.494 -6.794 18.160 309 HA2 GLY 41 HA2 GLY 41 14.837 -5.974 20.780 310 HA3 GLY 41 HA3 GLY 41 15.123 -4.513 19.845 311 H VAL 42 H VAL 42 13.423 -3.232 19.726 312 HA VAL 42 HA VAL 42 10.734 -4.443 20.024 313 HB VAL 42 HB VAL 42 11.362 -1.496 19.825 314 HG11 VAL 42 HG11 VAL 42 9.073 -3.122 20.896 315 HG12 VAL 42 HG12 VAL 42 9.303 -1.423 21.315 316 HG13 VAL 42 HG13 VAL 42 9.050 -1.892 19.633 317 HG21 VAL 42 HG21 VAL 42 11.609 -3.336 22.181 318 HG22 VAL 42 HG22 VAL 42 12.757 -2.134 21.592 319 HG23 VAL 42 HG23 VAL 42 11.268 -1.618 22.384 320 H TRP 43 H TRP 43 8.959 -3.761 18.648 321 HA TRP 43 HA TRP 43 9.803 -2.812 15.960 322 HB2 TRP 43 HB2 TRP 43 8.314 -5.384 16.542 323 HB3 TRP 43 HB3 TRP 43 8.313 -4.613 14.958 324 HD1 TRP 43 HD1 TRP 43 10.843 -6.126 17.472 325 HE1 TRP 43 HE1 TRP 43 12.827 -7.070 16.130 326 HE3 TRP 43 HE3 TRP 43 9.450 -4.614 12.791 327 HZ2 TRP 43 HZ2 TRP 43 13.687 -7.160 13.444 328 HZ3 TRP 43 HZ3 TRP 43 10.910 -5.169 10.889 329 HH2 TRP 43 HH2 TRP 43 12.984 -6.415 11.211 330 H THR 44 H THR 44 8.750 -0.882 16.177 331 HA THR 44 HA THR 44 5.908 -0.912 16.995 332 HB THR 44 HB THR 44 6.264 1.652 16.438 333 HG1 THR 44 HG1 THR 44 8.304 2.262 16.248 334 HG21 THR 44 HG21 THR 44 7.555 0.341 18.835 335 HG22 THR 44 HG22 THR 44 5.835 0.693 18.668 336 HG23 THR 44 HG23 THR 44 7.003 2.012 18.730 337 H TYR 45 H TYR 45 4.449 -1.427 15.511 338 HA TYR 45 HA TYR 45 4.903 -0.421 12.732 339 HB2 TYR 45 HB2 TYR 45 4.767 -2.698 12.425 340 HB3 TYR 45 HB3 TYR 45 3.723 -2.940 13.821 341 HD1 TYR 45 HD1 TYR 45 3.488 -1.010 10.621 342 HD2 TYR 45 HD2 TYR 45 1.662 -3.795 13.268 343 HE1 TYR 45 HE1 TYR 45 1.536 -1.137 9.130 344 HE2 TYR 45 HE2 TYR 45 -0.295 -3.931 11.784 345 HH TYR 45 HH TYR 45 -1.380 -2.780 10.058 346 H ASP 46 H ASP 46 3.521 0.990 11.886 347 HA ASP 46 HA ASP 46 0.960 1.429 13.373 348 HB2 ASP 46 HB2 ASP 46 2.551 3.305 13.616 349 HB3 ASP 46 HB3 ASP 46 2.627 3.467 11.863 350 H ASP 47 H ASP 47 -0.856 1.119 12.284 351 HA ASP 47 HA ASP 47 -0.702 0.441 9.443 352 HB2 ASP 47 HB2 ASP 47 -3.029 -0.147 9.656 353 HB3 ASP 47 HB3 ASP 47 -2.189 -0.735 11.088 354 H ALA 48 H ALA 48 -0.672 3.319 10.989 355 HA ALA 48 HA ALA 48 -2.563 4.665 9.138 356 HB1 ALA 48 HB1 ALA 48 -0.962 6.278 11.024 357 HB2 ALA 48 HB2 ALA 48 -2.685 6.336 10.650 358 HB3 ALA 48 HB3 ALA 48 -2.063 5.110 11.755 359 H THR 49 H THR 49 0.797 5.234 10.291 360 HA THR 49 HA THR 49 1.374 6.410 7.609 361 HB THR 49 HB THR 49 1.811 7.896 9.514 362 HG1 THR 49 HG1 THR 49 4.378 7.142 8.652 363 HG21 THR 49 HG21 THR 49 2.457 6.901 11.421 364 HG22 THR 49 HG22 THR 49 4.082 6.969 10.740 365 HG23 THR 49 HG23 THR 49 3.117 5.503 10.574 366 H LYS 50 H LYS 50 1.233 3.555 8.020 367 HA LYS 50 HA LYS 50 2.692 1.667 8.136 368 HB2 LYS 50 HB2 LYS 50 3.891 1.688 5.823 369 HB3 LYS 50 HB3 LYS 50 2.133 1.718 5.879 370 HG2 LYS 50 HG2 LYS 50 3.308 4.379 5.890 371 HG3 LYS 50 HG3 LYS 50 3.737 3.435 4.461 372 HD2 LYS 50 HD2 LYS 50 1.709 3.745 3.601 373 HD3 LYS 50 HD3 LYS 50 0.955 3.078 5.051 374 HE2 LYS 50 HE2 LYS 50 0.905 5.212 6.102 375 HE3 LYS 50 HE3 LYS 50 1.933 5.919 4.857 376 HZ1 LYS 50 HZ1 LYS 50 -0.395 6.524 4.564 377 HZ2 LYS 50 HZ2 LYS 50 -0.821 4.893 4.428 378 HZ3 LYS 50 HZ3 LYS 50 0.163 5.610 3.254 379 H THR 51 H THR 51 3.948 2.749 9.995 380 HA THR 51 HA THR 51 6.750 3.253 9.071 381 HB THR 51 HB THR 51 5.406 4.126 11.647 382 HG1 THR 51 HG1 THR 51 6.134 5.469 9.255 383 HG21 THR 51 HG21 THR 51 7.821 5.501 11.230 384 HG22 THR 51 HG22 THR 51 8.178 3.794 10.966 385 HG23 THR 51 HG23 THR 51 7.460 4.321 12.488 386 H PHE 52 H PHE 52 8.293 1.858 9.616 387 HA PHE 52 HA PHE 52 7.657 -0.090 11.797 388 HB2 PHE 52 HB2 PHE 52 8.567 -0.521 9.014 389 HB3 PHE 52 HB3 PHE 52 9.428 -1.453 10.235 390 HD1 PHE 52 HD1 PHE 52 6.197 -0.871 8.617 391 HD2 PHE 52 HD2 PHE 52 8.327 -3.189 11.482 392 HE1 PHE 52 HE1 PHE 52 4.351 -2.496 8.669 393 HE2 PHE 52 HE2 PHE 52 6.485 -4.819 11.537 394 HZ PHE 52 HZ PHE 52 4.494 -4.475 10.129 395 H THR 53 H THR 53 8.787 0.822 13.441 396 HA THR 53 HA THR 53 11.639 1.507 12.925 397 HB THR 53 HB THR 53 10.287 1.976 15.564 398 HG1 THR 53 HG1 THR 53 9.074 3.542 14.779 399 HG21 THR 53 HG21 THR 53 12.043 3.318 15.951 400 HG22 THR 53 HG22 THR 53 11.935 4.063 14.356 401 HG23 THR 53 HG23 THR 53 12.785 2.532 14.559 402 H VAL 54 H VAL 54 13.319 0.457 13.848 403 HA VAL 54 HA VAL 54 12.621 -1.787 15.701 404 HB VAL 54 HB VAL 54 14.669 -1.805 13.469 405 HG11 VAL 54 HG11 VAL 54 15.723 -3.043 15.109 406 HG12 VAL 54 HG12 VAL 54 14.204 -3.640 15.782 407 HG13 VAL 54 HG13 VAL 54 14.805 -4.282 14.252 408 HG21 VAL 54 HG21 VAL 54 12.533 -2.190 12.541 409 HG22 VAL 54 HG22 VAL 54 13.263 -3.784 12.732 410 HG23 VAL 54 HG23 VAL 54 12.050 -3.226 13.884 411 H THR 55 H THR 55 13.208 -0.832 17.596 412 HA THR 55 HA THR 55 15.893 0.421 17.749 413 HB THR 55 HB THR 55 13.913 1.554 18.780 414 HG1 THR 55 HG1 THR 55 16.285 1.480 19.622 415 HG21 THR 55 HG21 THR 55 13.945 -0.141 21.164 416 HG22 THR 55 HG22 THR 55 13.272 -0.933 19.739 417 HG23 THR 55 HG23 THR 55 12.585 0.587 20.311 418 H GLU 56 H GLU 56 17.595 -0.401 18.841 419 HA GLU 56 HA GLU 56 17.247 -3.175 19.855 420 HB2 GLU 56 HB2 GLU 56 19.433 -1.654 18.585 421 HB3 GLU 56 HB3 GLU 56 19.940 -2.693 19.909 422 HG2 GLU 56 HG2 GLU 56 19.260 -4.625 18.824 423 HG3 GLU 56 HG3 GLU 56 18.184 -3.752 17.735 Start of MODEL 48 1 H1 MET 1 H MET 1 1.303 -0.819 1.481 2 HA MET 1 HA MET 1 1.336 -1.561 -0.977 3 HB2 MET 1 HB2 MET 1 -0.150 0.741 -1.167 4 HB3 MET 1 HB3 MET 1 1.430 1.274 -1.726 5 HG2 MET 1 HG2 MET 1 1.338 -0.835 -3.222 6 HG3 MET 1 HG3 MET 1 -0.392 -0.780 -2.894 7 HE1 MET 1 HE1 MET 1 -1.984 0.924 -3.618 8 HE2 MET 1 HE2 MET 1 -1.769 1.776 -5.147 9 HE3 MET 1 HE3 MET 1 -1.657 0.016 -5.094 10 H GLN 2 H GLN 2 2.625 0.863 1.154 11 HA GLN 2 HA GLN 2 5.342 0.050 0.386 12 HB2 GLN 2 HB2 GLN 2 4.312 2.255 -0.894 13 HB3 GLN 2 HB3 GLN 2 5.116 2.983 0.490 14 HG2 GLN 2 HG2 GLN 2 7.208 2.017 -0.125 15 HG3 GLN 2 HG3 GLN 2 6.447 1.047 -1.385 16 HE21 GLN 2 HE21 GLN 2 6.347 1.853 -3.372 17 HE22 GLN 2 HE22 GLN 2 6.705 3.484 -3.811 18 H TYR 3 H TYR 3 6.522 -0.169 2.158 19 HA TYR 3 HA TYR 3 5.781 1.511 4.519 20 HB2 TYR 3 HB2 TYR 3 6.799 -1.328 4.721 21 HB3 TYR 3 HB3 TYR 3 6.064 -0.342 5.980 22 HD1 TYR 3 HD1 TYR 3 5.394 -2.272 2.907 23 HD2 TYR 3 HD2 TYR 3 3.692 -0.218 6.222 24 HE1 TYR 3 HE1 TYR 3 3.199 -3.246 2.376 25 HE2 TYR 3 HE2 TYR 3 1.492 -1.187 5.700 26 HH TYR 3 HH TYR 3 0.558 -2.295 3.028 27 H LYS 4 H LYS 4 7.508 1.794 6.107 28 HA LYS 4 HA LYS 4 10.210 1.595 4.835 29 HB2 LYS 4 HB2 LYS 4 9.405 3.914 4.758 30 HB3 LYS 4 HB3 LYS 4 9.107 3.886 6.491 31 HG2 LYS 4 HG2 LYS 4 11.620 3.333 6.684 32 HG3 LYS 4 HG3 LYS 4 11.713 3.935 5.027 33 HD2 LYS 4 HD2 LYS 4 10.368 5.542 7.171 34 HD3 LYS 4 HD3 LYS 4 12.123 5.579 6.981 35 HE2 LYS 4 HE2 LYS 4 11.988 6.514 4.844 36 HE3 LYS 4 HE3 LYS 4 10.298 6.051 4.649 37 HZ1 LYS 4 HZ1 LYS 4 11.380 8.443 5.715 38 HZ2 LYS 4 HZ2 LYS 4 10.385 7.697 6.862 39 HZ3 LYS 4 HZ3 LYS 4 9.773 8.078 5.331 40 H LEU 5 H LEU 5 11.746 0.662 6.019 41 HA LEU 5 HA LEU 5 11.048 0.001 8.839 42 HB2 LEU 5 HB2 LEU 5 11.533 -1.963 7.684 43 HB3 LEU 5 HB3 LEU 5 12.854 -1.226 6.780 44 HG LEU 5 HG LEU 5 14.298 -1.316 8.686 45 HD11 LEU 5 HD11 LEU 5 12.814 -0.763 10.465 46 HD12 LEU 5 HD12 LEU 5 13.495 -2.352 10.816 47 HD13 LEU 5 HD13 LEU 5 11.851 -2.216 10.192 48 HD21 LEU 5 HD21 LEU 5 13.403 -3.976 9.179 49 HD22 LEU 5 HD22 LEU 5 14.756 -3.428 8.189 50 HD23 LEU 5 HD23 LEU 5 13.152 -3.599 7.474 51 H VAL 6 H VAL 6 11.663 1.738 10.033 52 HA VAL 6 HA VAL 6 14.359 2.876 9.592 53 HB VAL 6 HB VAL 6 12.184 3.662 11.551 54 HG11 VAL 6 HG11 VAL 6 13.878 4.690 12.598 55 HG12 VAL 6 HG12 VAL 6 14.969 4.501 11.225 56 HG13 VAL 6 HG13 VAL 6 13.811 5.830 11.255 57 HG21 VAL 6 HG21 VAL 6 11.352 4.187 9.435 58 HG22 VAL 6 HG22 VAL 6 12.108 5.688 9.970 59 HG23 VAL 6 HG23 VAL 6 12.941 4.642 8.820 60 H ILE 7 H ILE 7 16.001 1.780 10.443 61 HA ILE 7 HA ILE 7 15.595 0.381 13.028 62 HB ILE 7 HB ILE 7 17.970 0.350 11.148 63 HG12 ILE 7 HG12 ILE 7 15.986 -1.870 11.615 64 HG13 ILE 7 HG13 ILE 7 15.747 -0.662 10.357 65 HG21 ILE 7 HG21 ILE 7 18.618 -0.121 13.439 66 HG22 ILE 7 HG22 ILE 7 17.346 -1.333 13.570 67 HG23 ILE 7 HG23 ILE 7 18.698 -1.590 12.467 68 HD11 ILE 7 HD11 ILE 7 16.931 -2.969 9.882 69 HD12 ILE 7 HD12 ILE 7 17.419 -1.486 9.061 70 HD13 ILE 7 HD13 ILE 7 18.348 -2.079 10.437 71 H ASN 8 H ASN 8 16.725 0.812 14.884 72 HA ASN 8 HA ASN 8 18.393 3.295 14.809 73 HB2 ASN 8 HB2 ASN 8 15.993 2.734 16.297 74 HB3 ASN 8 HB3 ASN 8 17.334 2.948 17.419 75 HD21 ASN 8 HD21 ASN 8 18.840 4.845 16.551 76 HD22 ASN 8 HD22 ASN 8 17.982 6.315 16.256 77 H GLY 9 H GLY 9 20.069 1.556 14.403 78 HA2 GLY 9 HA2 GLY 9 20.771 0.022 16.827 79 HA3 GLY 9 HA3 GLY 9 21.552 -0.083 15.256 80 H LYS 10 H LYS 10 22.943 0.020 17.700 81 HA LYS 10 HA LYS 10 23.828 2.741 18.190 82 HB2 LYS 10 HB2 LYS 10 23.970 1.136 19.975 83 HB3 LYS 10 HB3 LYS 10 24.932 0.039 18.994 84 HG2 LYS 10 HG2 LYS 10 26.849 1.139 19.405 85 HG3 LYS 10 HG3 LYS 10 26.072 2.724 19.374 86 HD2 LYS 10 HD2 LYS 10 25.837 2.757 21.597 87 HD3 LYS 10 HD3 LYS 10 25.218 1.104 21.634 88 HE2 LYS 10 HE2 LYS 10 27.290 0.190 21.957 89 HE3 LYS 10 HE3 LYS 10 28.118 1.503 21.122 90 HZ1 LYS 10 HZ1 LYS 10 26.818 2.410 23.491 91 HZ2 LYS 10 HZ2 LYS 10 28.437 2.566 23.029 92 HZ3 LYS 10 HZ3 LYS 10 27.917 1.170 23.831 93 H THR 11 H THR 11 24.770 0.133 16.056 94 HA THR 11 HA THR 11 27.026 1.853 15.096 95 HB THR 11 HB THR 11 28.235 -0.146 14.440 96 HG1 THR 11 HG1 THR 11 26.709 -1.650 13.967 97 HG21 THR 11 HG21 THR 11 27.278 -0.557 17.270 98 HG22 THR 11 HG22 THR 11 28.407 0.713 16.798 99 HG23 THR 11 HG23 THR 11 28.848 -0.981 16.590 100 H LEU 12 H LEU 12 24.744 -0.745 14.135 101 HA LEU 12 HA LEU 12 25.002 0.071 11.317 102 HB2 LEU 12 HB2 LEU 12 24.855 -2.305 11.964 103 HB3 LEU 12 HB3 LEU 12 23.242 -2.019 12.613 104 HG LEU 12 HG LEU 12 22.352 -1.635 10.432 105 HD11 LEU 12 HD11 LEU 12 25.189 -1.295 9.720 106 HD12 LEU 12 HD12 LEU 12 23.750 -0.505 9.077 107 HD13 LEU 12 HD13 LEU 12 24.189 -2.121 8.525 108 HD21 LEU 12 HD21 LEU 12 22.998 -3.788 9.281 109 HD22 LEU 12 HD22 LEU 12 22.440 -3.942 10.947 110 HD23 LEU 12 HD23 LEU 12 24.164 -4.033 10.582 111 H LYS 13 H LYS 13 23.811 1.587 10.406 112 HA LYS 13 HA LYS 13 21.009 1.929 11.342 113 HB2 LYS 13 HB2 LYS 13 22.738 4.342 10.818 114 HB3 LYS 13 HB3 LYS 13 21.192 4.254 11.653 115 HG2 LYS 13 HG2 LYS 13 22.390 2.905 13.432 116 HG3 LYS 13 HG3 LYS 13 23.893 3.399 12.648 117 HD2 LYS 13 HD2 LYS 13 23.169 5.772 12.922 118 HD3 LYS 13 HD3 LYS 13 21.792 5.192 13.861 119 HE2 LYS 13 HE2 LYS 13 23.054 5.108 15.685 120 HE3 LYS 13 HE3 LYS 13 24.155 3.985 14.889 121 HZ1 LYS 13 HZ1 LYS 13 25.397 5.828 14.011 122 HZ2 LYS 13 HZ2 LYS 13 25.265 6.006 15.688 123 HZ3 LYS 13 HZ3 LYS 13 24.301 6.942 14.660 124 H GLY 14 H GLY 14 19.569 2.714 9.798 125 HA2 GLY 14 HA2 GLY 14 20.188 3.868 7.336 126 HA3 GLY 14 HA3 GLY 14 20.333 2.137 7.072 127 H GLU 15 H GLU 15 18.570 2.939 5.484 128 HA GLU 15 HA GLU 15 15.951 2.592 6.889 129 HB2 GLU 15 HB2 GLU 15 16.810 4.530 4.799 130 HB3 GLU 15 HB3 GLU 15 15.200 3.844 4.627 131 HG2 GLU 15 HG2 GLU 15 14.387 4.933 6.430 132 HG3 GLU 15 HG3 GLU 15 15.917 4.863 7.302 133 H THR 16 H THR 16 14.456 1.218 5.998 134 HA THR 16 HA THR 16 15.309 -0.217 3.521 135 HB THR 16 HB THR 16 13.928 -2.096 5.095 136 HG1 THR 16 HG1 THR 16 16.094 -1.073 6.612 137 HG21 THR 16 HG21 THR 16 15.947 -2.226 3.449 138 HG22 THR 16 HG22 THR 16 15.805 -3.410 4.749 139 HG23 THR 16 HG23 THR 16 16.914 -2.049 4.912 140 H THR 17 H THR 17 13.818 0.731 2.194 141 HA THR 17 HA THR 17 10.971 0.628 3.042 142 HB THR 17 HB THR 17 10.493 2.185 1.344 143 HG1 THR 17 HG1 THR 17 13.077 1.819 0.213 144 HG21 THR 17 HG21 THR 17 12.254 2.835 3.255 145 HG22 THR 17 HG22 THR 17 11.679 3.992 2.054 146 HG23 THR 17 HG23 THR 17 13.235 3.193 1.835 147 H THR 18 H THR 18 9.383 -0.458 1.922 148 HA THR 18 HA THR 18 10.065 -1.937 -0.514 149 HB THR 18 HB THR 18 10.932 -3.399 1.343 150 HG1 THR 18 HG1 THR 18 10.046 -4.171 -0.742 151 HG21 THR 18 HG21 THR 18 8.862 -2.710 2.811 152 HG22 THR 18 HG22 THR 18 9.575 -4.316 2.962 153 HG23 THR 18 HG23 THR 18 8.106 -4.088 2.013 154 H LYS 19 H LYS 19 8.109 -3.586 -0.928 155 HA LYS 19 HA LYS 19 5.623 -2.041 -0.304 156 HB2 LYS 19 HB2 LYS 19 4.822 -2.410 -2.486 157 HB3 LYS 19 HB3 LYS 19 6.510 -1.971 -2.711 158 HG2 LYS 19 HG2 LYS 19 6.570 -4.725 -2.479 159 HG3 LYS 19 HG3 LYS 19 5.114 -4.404 -3.424 160 HD2 LYS 19 HD2 LYS 19 6.587 -4.404 -5.143 161 HD3 LYS 19 HD3 LYS 19 6.821 -2.727 -4.643 162 HE2 LYS 19 HE2 LYS 19 8.989 -3.584 -4.840 163 HE3 LYS 19 HE3 LYS 19 8.656 -3.632 -3.109 164 HZ1 LYS 19 HZ1 LYS 19 8.138 -5.973 -3.296 165 HZ2 LYS 19 HZ2 LYS 19 9.692 -5.677 -3.895 166 HZ3 LYS 19 HZ3 LYS 19 8.408 -5.937 -4.966 167 H ALA 20 H ALA 20 3.710 -3.189 0.048 168 HA ALA 20 HA ALA 20 3.630 -6.078 -0.119 169 HB1 ALA 20 HB1 ALA 20 4.666 -6.517 1.817 170 HB2 ALA 20 HB2 ALA 20 4.545 -4.849 2.378 171 HB3 ALA 20 HB3 ALA 20 3.182 -5.949 2.582 172 H VAL 21 H VAL 21 1.572 -6.933 0.272 173 HA VAL 21 HA VAL 21 -0.588 -5.143 -0.216 174 HB VAL 21 HB VAL 21 -2.048 -7.092 0.333 175 HG11 VAL 21 HG11 VAL 21 0.022 -8.329 -1.342 176 HG12 VAL 21 HG12 VAL 21 -1.668 -7.973 -1.701 177 HG13 VAL 21 HG13 VAL 21 -0.452 -6.701 -1.825 178 HG21 VAL 21 HG21 VAL 21 0.581 -8.340 1.105 179 HG22 VAL 21 HG22 VAL 21 -0.860 -8.148 2.103 180 HG23 VAL 21 HG23 VAL 21 -0.870 -9.276 0.747 181 H ASP 22 H ASP 22 0.616 -6.658 2.771 182 HA ASP 22 HA ASP 22 -0.737 -4.561 4.325 183 HB2 ASP 22 HB2 ASP 22 -1.886 -6.168 5.813 184 HB3 ASP 22 HB3 ASP 22 -2.506 -6.240 4.166 185 H ALA 23 H ALA 23 -0.119 -4.599 6.619 186 HA ALA 23 HA ALA 23 2.677 -4.923 6.922 187 HB1 ALA 23 HB1 ALA 23 1.885 -4.917 9.481 188 HB2 ALA 23 HB2 ALA 23 1.889 -3.468 8.474 189 HB3 ALA 23 HB3 ALA 23 0.391 -4.363 8.726 190 H GLU 24 H GLU 24 0.095 -7.216 7.183 191 HA GLU 24 HA GLU 24 1.196 -9.066 9.010 192 HB2 GLU 24 HB2 GLU 24 -1.045 -9.365 8.243 193 HB3 GLU 24 HB3 GLU 24 -0.537 -9.447 6.562 194 HG2 GLU 24 HG2 GLU 24 -0.049 -11.625 6.682 195 HG3 GLU 24 HG3 GLU 24 0.668 -11.481 8.286 196 H THR 25 H THR 25 1.462 -9.067 5.427 197 HA THR 25 HA THR 25 3.594 -11.086 5.584 198 HB THR 25 HB THR 25 1.870 -11.098 3.767 199 HG1 THR 25 HG1 THR 25 3.375 -12.137 2.716 200 HG21 THR 25 HG21 THR 25 1.880 -8.591 3.473 201 HG22 THR 25 HG22 THR 25 1.943 -9.526 1.979 202 HG23 THR 25 HG23 THR 25 3.408 -8.776 2.613 203 H ALA 26 H ALA 26 3.285 -7.643 5.420 204 HA ALA 26 HA ALA 26 5.856 -7.119 4.200 205 HB1 ALA 26 HB1 ALA 26 4.570 -5.155 6.043 206 HB2 ALA 26 HB2 ALA 26 5.359 -4.900 4.486 207 HB3 ALA 26 HB3 ALA 26 3.737 -5.588 4.550 208 H GLU 27 H GLU 27 4.654 -7.040 7.580 209 HA GLU 27 HA GLU 27 7.026 -6.265 8.840 210 HB2 GLU 27 HB2 GLU 27 4.949 -6.487 10.060 211 HB3 GLU 27 HB3 GLU 27 4.907 -8.220 9.768 212 HG2 GLU 27 HG2 GLU 27 6.787 -8.579 11.191 213 HG3 GLU 27 HG3 GLU 27 7.064 -6.845 11.347 214 H LYS 28 H LYS 28 5.931 -9.609 8.142 215 HA LYS 28 HA LYS 28 8.204 -10.929 9.169 216 HB2 LYS 28 HB2 LYS 28 7.340 -12.822 8.197 217 HB3 LYS 28 HB3 LYS 28 5.914 -11.795 8.152 218 HG2 LYS 28 HG2 LYS 28 5.862 -12.518 6.014 219 HG3 LYS 28 HG3 LYS 28 6.953 -11.150 5.785 220 HD2 LYS 28 HD2 LYS 28 8.709 -12.476 5.324 221 HD3 LYS 28 HD3 LYS 28 8.286 -13.635 6.587 222 HE2 LYS 28 HE2 LYS 28 6.512 -13.542 4.223 223 HE3 LYS 28 HE3 LYS 28 8.133 -14.184 3.965 224 HZ1 LYS 28 HZ1 LYS 28 6.979 -15.258 6.326 225 HZ2 LYS 28 HZ2 LYS 28 7.571 -16.066 4.963 226 HZ3 LYS 28 HZ3 LYS 28 5.967 -15.530 4.997 227 H ALA 29 H ALA 29 7.810 -9.038 6.288 228 HA ALA 29 HA ALA 29 10.044 -10.190 4.842 229 HB1 ALA 29 HB1 ALA 29 9.310 -8.894 3.182 230 HB2 ALA 29 HB2 ALA 29 7.982 -8.435 4.249 231 HB3 ALA 29 HB3 ALA 29 9.429 -7.431 4.160 232 H PHE 30 H PHE 30 9.591 -7.453 7.059 233 HA PHE 30 HA PHE 30 12.296 -6.461 6.678 234 HB2 PHE 30 HB2 PHE 30 10.241 -5.909 8.840 235 HB3 PHE 30 HB3 PHE 30 11.758 -5.036 8.652 236 HD1 PHE 30 HD2 PHE 30 12.026 -4.433 5.913 237 HD2 PHE 30 HD1 PHE 30 8.458 -4.615 8.227 238 HE1 PHE 30 HE2 PHE 30 10.936 -2.879 4.348 239 HE2 PHE 30 HE1 PHE 30 7.362 -3.062 6.665 240 HZ PHE 30 HZ PHE 30 8.601 -2.190 4.724 241 H LYS 31 H LYS 31 10.655 -8.623 8.943 242 HA LYS 31 HA LYS 31 12.717 -8.764 10.899 243 HB2 LYS 31 HB2 LYS 31 10.281 -9.712 10.883 244 HB3 LYS 31 HB3 LYS 31 11.020 -11.141 10.174 245 HG2 LYS 31 HG2 LYS 31 12.126 -11.694 12.093 246 HG3 LYS 31 HG3 LYS 31 12.212 -10.023 12.656 247 HD2 LYS 31 HD2 LYS 31 9.662 -11.626 12.523 248 HD3 LYS 31 HD3 LYS 31 10.665 -11.491 13.969 249 HE2 LYS 31 HE2 LYS 31 10.409 -8.994 13.774 250 HE3 LYS 31 HE3 LYS 31 9.208 -9.289 12.518 251 HZ1 LYS 31 HZ1 LYS 31 8.294 -10.863 14.455 252 HZ2 LYS 31 HZ2 LYS 31 7.813 -9.253 14.263 253 HZ3 LYS 31 HZ3 LYS 31 9.010 -9.650 15.391 254 H GLN 32 H GLN 32 12.591 -9.911 7.668 255 HA GLN 32 HA GLN 32 14.552 -12.055 8.112 256 HB2 GLN 32 HB2 GLN 32 12.627 -11.741 6.257 257 HB3 GLN 32 HB3 GLN 32 13.978 -11.047 5.372 258 HG2 GLN 32 HG2 GLN 32 14.977 -13.402 6.461 259 HG3 GLN 32 HG3 GLN 32 13.351 -13.806 5.910 260 HE21 GLN 32 HE21 GLN 32 15.998 -11.753 4.725 261 HE22 GLN 32 HE22 GLN 32 16.006 -12.398 3.122 262 H TYR 33 H TYR 33 14.543 -8.672 7.504 263 HA TYR 33 HA TYR 33 17.224 -8.683 6.283 264 HB2 TYR 33 HB2 TYR 33 15.299 -7.041 5.757 265 HB3 TYR 33 HB3 TYR 33 15.735 -6.249 7.267 266 HD1 TYR 33 HD1 TYR 33 17.392 -7.507 4.157 267 HD2 TYR 33 HD2 TYR 33 17.217 -4.488 7.150 268 HE1 TYR 33 HE1 TYR 33 19.148 -6.248 2.981 269 HE2 TYR 33 HE2 TYR 33 18.972 -3.220 5.982 270 HH TYR 33 HH TYR 33 20.991 -4.095 4.193 271 H ALA 34 H ALA 34 15.775 -7.068 9.150 272 HA ALA 34 HA ALA 34 18.155 -6.307 10.388 273 HB1 ALA 34 HB1 ALA 34 15.424 -6.433 11.081 274 HB2 ALA 34 HB2 ALA 34 16.314 -7.198 12.398 275 HB3 ALA 34 HB3 ALA 34 16.714 -5.554 11.902 276 H ASN 35 H ASN 35 16.369 -9.388 10.812 277 HA ASN 35 HA ASN 35 18.110 -10.540 12.711 278 HB2 ASN 35 HB2 ASN 35 15.926 -11.494 12.110 279 HB3 ASN 35 HB3 ASN 35 16.534 -11.914 10.511 280 HD21 ASN 35 HD21 ASN 35 15.752 -14.052 11.252 281 HD22 ASN 35 HD22 ASN 35 16.855 -15.053 12.129 282 H ASP 36 H ASP 36 18.385 -10.240 9.211 283 HA ASP 36 HA ASP 36 20.749 -12.006 9.161 284 HB2 ASP 36 HB2 ASP 36 18.819 -11.484 7.313 285 HB3 ASP 36 HB3 ASP 36 20.085 -10.384 6.774 286 H ASN 37 H ASN 37 20.131 -8.847 9.998 287 HA ASN 37 HA ASN 37 22.857 -7.991 9.107 288 HB2 ASN 37 HB2 ASN 37 20.295 -6.454 9.511 289 HB3 ASN 37 HB3 ASN 37 21.854 -5.639 9.594 290 HD21 ASN 37 HD21 ASN 37 19.367 -6.382 7.612 291 HD22 ASN 37 HD22 ASN 37 20.167 -6.288 6.083 292 H GLY 38 H GLY 38 22.081 -9.584 11.496 293 HA2 GLY 38 HA2 GLY 38 22.587 -9.617 13.753 294 HA3 GLY 38 HA3 GLY 38 23.795 -8.397 13.379 295 H VAL 39 H VAL 39 20.230 -8.281 13.234 296 HA VAL 39 HA VAL 39 20.355 -6.136 15.317 297 HB VAL 39 HB VAL 39 18.615 -6.165 12.835 298 HG11 VAL 39 HG11 VAL 39 17.287 -5.226 14.525 299 HG12 VAL 39 HG12 VAL 39 18.655 -4.379 15.249 300 HG13 VAL 39 HG13 VAL 39 18.005 -3.844 13.699 301 HG21 VAL 39 HG21 VAL 39 21.043 -4.606 13.643 302 HG22 VAL 39 HG22 VAL 39 20.712 -5.443 12.126 303 HG23 VAL 39 HG23 VAL 39 19.875 -3.937 12.503 304 H ASP 40 H ASP 40 18.886 -6.225 16.921 305 HA ASP 40 HA ASP 40 16.412 -7.728 16.643 306 HB2 ASP 40 HB2 ASP 40 18.298 -9.461 17.064 307 HB3 ASP 40 HB3 ASP 40 18.321 -8.821 18.705 308 H GLY 41 H GLY 41 14.937 -6.722 17.825 309 HA2 GLY 41 HA2 GLY 41 15.418 -5.915 20.544 310 HA3 GLY 41 HA3 GLY 41 15.511 -4.525 19.472 311 H VAL 42 H VAL 42 13.711 -3.377 19.616 312 HA VAL 42 HA VAL 42 11.152 -4.832 20.016 313 HB VAL 42 HB VAL 42 10.196 -2.631 20.516 314 HG11 VAL 42 HG11 VAL 42 12.505 -3.738 21.967 315 HG12 VAL 42 HG12 VAL 42 12.040 -2.096 22.414 316 HG13 VAL 42 HG13 VAL 42 10.865 -3.406 22.523 317 HG21 VAL 42 HG21 VAL 42 12.555 -1.699 19.181 318 HG22 VAL 42 HG22 VAL 42 11.119 -0.797 19.665 319 HG23 VAL 42 HG23 VAL 42 12.460 -0.991 20.794 320 H TRP 43 H TRP 43 9.490 -4.831 18.589 321 HA TRP 43 HA TRP 43 10.072 -3.539 15.954 322 HB2 TRP 43 HB2 TRP 43 8.628 -6.083 16.695 323 HB3 TRP 43 HB3 TRP 43 8.351 -5.298 15.143 324 HD1 TRP 43 HD1 TRP 43 11.080 -7.131 17.121 325 HE1 TRP 43 HE1 TRP 43 12.895 -7.915 15.472 326 HE3 TRP 43 HE3 TRP 43 9.388 -4.816 12.889 327 HZ2 TRP 43 HZ2 TRP 43 13.526 -7.594 12.740 328 HZ3 TRP 43 HZ3 TRP 43 10.655 -5.105 10.799 329 HH2 TRP 43 HH2 TRP 43 12.681 -6.465 10.728 330 H THR 44 H THR 44 9.149 -1.540 16.444 331 HA THR 44 HA THR 44 6.276 -1.549 17.195 332 HB THR 44 HB THR 44 6.930 1.088 16.936 333 HG1 THR 44 HG1 THR 44 9.036 1.315 17.814 334 HG21 THR 44 HG21 THR 44 6.006 0.728 18.957 335 HG22 THR 44 HG22 THR 44 7.674 0.606 19.516 336 HG23 THR 44 HG23 THR 44 6.765 -0.854 19.129 337 H TYR 45 H TYR 45 4.998 -1.936 15.486 338 HA TYR 45 HA TYR 45 5.525 -0.310 13.030 339 HB2 TYR 45 HB2 TYR 45 5.150 -2.125 11.751 340 HB3 TYR 45 HB3 TYR 45 5.368 -3.062 13.225 341 HD1 TYR 45 HD1 TYR 45 2.900 -1.674 10.882 342 HD2 TYR 45 HD2 TYR 45 3.495 -4.101 14.325 343 HE1 TYR 45 HE1 TYR 45 0.604 -2.529 10.668 344 HE2 TYR 45 HE2 TYR 45 1.200 -4.964 14.120 345 HH TYR 45 HH TYR 45 -0.562 -4.911 11.544 346 H ASP 46 H ASP 46 3.906 0.886 12.153 347 HA ASP 46 HA ASP 46 1.339 0.887 13.692 348 HB2 ASP 46 HB2 ASP 46 2.663 2.941 14.018 349 HB3 ASP 46 HB3 ASP 46 2.701 3.201 12.276 350 H ASP 47 H ASP 47 -0.446 0.394 12.618 351 HA ASP 47 HA ASP 47 -0.268 -0.066 9.729 352 HB2 ASP 47 HB2 ASP 47 -2.337 -1.170 9.937 353 HB3 ASP 47 HB3 ASP 47 -1.521 -1.508 11.461 354 H ALA 48 H ALA 48 -0.641 2.656 11.488 355 HA ALA 48 HA ALA 48 -2.785 3.807 9.784 356 HB1 ALA 48 HB1 ALA 48 -3.007 5.485 11.356 357 HB2 ALA 48 HB2 ALA 48 -2.527 4.119 12.363 358 HB3 ALA 48 HB3 ALA 48 -1.339 5.342 11.911 359 H THR 49 H THR 49 0.466 4.825 10.938 360 HA THR 49 HA THR 49 0.747 6.403 8.434 361 HB THR 49 HB THR 49 2.793 6.429 10.628 362 HG1 THR 49 HG1 THR 49 1.515 7.529 11.951 363 HG21 THR 49 HG21 THR 49 1.978 8.977 9.589 364 HG22 THR 49 HG22 THR 49 2.319 7.872 8.258 365 HG23 THR 49 HG23 THR 49 3.549 8.183 9.482 366 H LYS 50 H LYS 50 0.921 3.475 8.447 367 HA LYS 50 HA LYS 50 2.488 1.764 8.027 368 HB2 LYS 50 HB2 LYS 50 2.350 3.788 5.879 369 HB3 LYS 50 HB3 LYS 50 3.714 2.684 5.763 370 HG2 LYS 50 HG2 LYS 50 2.305 1.325 4.704 371 HG3 LYS 50 HG3 LYS 50 1.630 0.991 6.300 372 HD2 LYS 50 HD2 LYS 50 -0.165 1.550 4.800 373 HD3 LYS 50 HD3 LYS 50 0.037 2.867 5.959 374 HE2 LYS 50 HE2 LYS 50 0.356 4.311 4.303 375 HE3 LYS 50 HE3 LYS 50 1.709 3.355 3.699 376 HZ1 LYS 50 HZ1 LYS 50 -1.028 3.486 2.760 377 HZ2 LYS 50 HZ2 LYS 50 -0.371 1.929 2.821 378 HZ3 LYS 50 HZ3 LYS 50 0.393 3.134 1.912 379 H THR 51 H THR 51 3.649 2.877 10.092 380 HA THR 51 HA THR 51 6.447 3.464 9.208 381 HB THR 51 HB THR 51 5.004 4.264 11.751 382 HG1 THR 51 HG1 THR 51 5.853 6.385 10.783 383 HG21 THR 51 HG21 THR 51 7.103 3.953 12.611 384 HG22 THR 51 HG22 THR 51 7.299 5.580 11.958 385 HG23 THR 51 HG23 THR 51 7.895 4.188 11.053 386 H PHE 52 H PHE 52 7.958 2.007 9.630 387 HA PHE 52 HA PHE 52 7.353 -0.012 11.754 388 HB2 PHE 52 HB2 PHE 52 8.443 -0.299 8.988 389 HB3 PHE 52 HB3 PHE 52 9.086 -1.365 10.233 390 HD1 PHE 52 HD1 PHE 52 5.797 -0.131 8.976 391 HD2 PHE 52 HD2 PHE 52 8.042 -3.379 10.565 392 HE1 PHE 52 HE1 PHE 52 3.843 -1.604 8.717 393 HE2 PHE 52 HE2 PHE 52 6.092 -4.858 10.307 394 HZ PHE 52 HZ PHE 52 3.990 -3.971 9.381 395 H THR 53 H THR 53 8.496 0.605 13.480 396 HA THR 53 HA THR 53 11.298 1.523 13.038 397 HB THR 53 HB THR 53 9.881 1.594 15.695 398 HG1 THR 53 HG1 THR 53 8.460 2.837 14.693 399 HG21 THR 53 HG21 THR 53 11.727 2.669 16.323 400 HG22 THR 53 HG22 THR 53 11.479 3.878 15.063 401 HG23 THR 53 HG23 THR 53 12.402 2.417 14.714 402 H VAL 54 H VAL 54 13.040 0.461 13.821 403 HA VAL 54 HA VAL 54 12.528 -1.934 15.524 404 HB VAL 54 HB VAL 54 14.187 -1.883 12.993 405 HG11 VAL 54 HG11 VAL 54 14.287 -4.450 13.828 406 HG12 VAL 54 HG12 VAL 54 15.546 -3.257 14.154 407 HG13 VAL 54 HG13 VAL 54 14.322 -3.606 15.376 408 HG21 VAL 54 HG21 VAL 54 11.813 -2.228 12.615 409 HG22 VAL 54 HG22 VAL 54 12.701 -3.721 12.313 410 HG23 VAL 54 HG23 VAL 54 11.791 -3.524 13.810 411 H THR 55 H THR 55 13.333 -0.764 17.293 412 HA THR 55 HA THR 55 16.151 0.153 17.094 413 HB THR 55 HB THR 55 14.252 0.409 19.443 414 HG1 THR 55 HG1 THR 55 14.165 2.656 18.587 415 HG21 THR 55 HG21 THR 55 16.386 0.768 20.289 416 HG22 THR 55 HG22 THR 55 15.879 2.398 19.845 417 HG23 THR 55 HG23 THR 55 16.967 1.494 18.791 418 H GLU 56 H GLU 56 17.820 -0.657 18.318 419 HA GLU 56 HA GLU 56 17.407 -3.413 19.256 420 HB2 GLU 56 HB2 GLU 56 19.692 -1.712 18.485 421 HB3 GLU 56 HB3 GLU 56 20.022 -2.817 19.812 422 HG2 GLU 56 HG2 GLU 56 18.695 -4.388 17.972 423 HG3 GLU 56 HG3 GLU 56 19.719 -3.349 16.982 Start of MODEL 49 1 H1 MET 1 H MET 1 -0.360 0.919 0.578 2 HA MET 1 HA MET 1 0.871 -1.232 -0.559 3 HB2 MET 1 HB2 MET 1 0.922 -0.036 -2.605 4 HB3 MET 1 HB3 MET 1 -0.461 0.585 -1.716 5 HG2 MET 1 HG2 MET 1 1.013 2.472 -0.954 6 HG3 MET 1 HG3 MET 1 2.213 1.892 -2.106 7 HE1 MET 1 HE1 MET 1 1.336 1.215 -4.589 8 HE2 MET 1 HE2 MET 1 -0.379 0.899 -4.322 9 HE3 MET 1 HE3 MET 1 0.121 2.153 -5.459 10 H GLN 2 H GLN 2 2.352 1.488 0.984 11 HA GLN 2 HA GLN 2 5.009 0.302 0.351 12 HB2 GLN 2 HB2 GLN 2 4.135 2.655 -0.808 13 HB3 GLN 2 HB3 GLN 2 5.052 3.226 0.579 14 HG2 GLN 2 HG2 GLN 2 7.034 2.431 -0.222 15 HG3 GLN 2 HG3 GLN 2 6.268 1.143 -1.151 16 HE21 GLN 2 HE21 GLN 2 7.470 4.332 -1.181 17 HE22 GLN 2 HE22 GLN 2 7.103 4.704 -2.827 18 H TYR 3 H TYR 3 6.187 -0.057 2.105 19 HA TYR 3 HA TYR 3 5.340 1.329 4.612 20 HB2 TYR 3 HB2 TYR 3 6.715 -1.330 4.147 21 HB3 TYR 3 HB3 TYR 3 6.540 -0.596 5.737 22 HD1 TYR 3 HD1 TYR 3 4.496 -1.641 2.792 23 HD2 TYR 3 HD2 TYR 3 4.667 -1.095 7.009 24 HE1 TYR 3 HE1 TYR 3 2.268 -2.659 3.008 25 HE2 TYR 3 HE2 TYR 3 2.440 -2.113 7.236 26 HH TYR 3 HH TYR 3 0.394 -2.418 5.738 27 H LYS 4 H LYS 4 6.983 1.920 6.160 28 HA LYS 4 HA LYS 4 9.652 2.383 4.897 29 HB2 LYS 4 HB2 LYS 4 8.521 4.492 4.776 30 HB3 LYS 4 HB3 LYS 4 7.939 4.351 6.430 31 HG2 LYS 4 HG2 LYS 4 9.732 5.937 6.362 32 HG3 LYS 4 HG3 LYS 4 10.278 4.495 7.222 33 HD2 LYS 4 HD2 LYS 4 12.069 4.697 5.860 34 HD3 LYS 4 HD3 LYS 4 11.022 3.860 4.711 35 HE2 LYS 4 HE2 LYS 4 12.029 5.781 3.646 36 HE3 LYS 4 HE3 LYS 4 10.295 6.046 3.829 37 HZ1 LYS 4 HZ1 LYS 4 11.958 7.013 6.003 38 HZ2 LYS 4 HZ2 LYS 4 10.616 7.729 5.264 39 HZ3 LYS 4 HZ3 LYS 4 12.137 7.829 4.532 40 H LEU 5 H LEU 5 11.227 1.497 6.034 41 HA LEU 5 HA LEU 5 10.757 1.103 8.961 42 HB2 LEU 5 HB2 LEU 5 10.978 -0.986 7.791 43 HB3 LEU 5 HB3 LEU 5 12.451 -0.440 6.992 44 HG LEU 5 HG LEU 5 13.549 -0.382 9.242 45 HD11 LEU 5 HD11 LEU 5 12.452 -1.731 11.022 46 HD12 LEU 5 HD12 LEU 5 10.973 -1.713 10.061 47 HD13 LEU 5 HD13 LEU 5 11.642 -0.202 10.677 48 HD21 LEU 5 HD21 LEU 5 14.239 -2.525 9.004 49 HD22 LEU 5 HD22 LEU 5 13.333 -2.397 7.496 50 HD23 LEU 5 HD23 LEU 5 12.598 -3.162 8.906 51 H VAL 6 H VAL 6 12.401 1.543 10.437 52 HA VAL 6 HA VAL 6 14.779 2.967 9.337 53 HB VAL 6 HB VAL 6 13.010 4.004 11.568 54 HG11 VAL 6 HG11 VAL 6 15.633 5.030 10.491 55 HG12 VAL 6 HG12 VAL 6 14.578 5.925 11.587 56 HG13 VAL 6 HG13 VAL 6 15.319 4.413 12.113 57 HG21 VAL 6 HG21 VAL 6 13.086 6.022 9.866 58 HG22 VAL 6 HG22 VAL 6 13.374 4.726 8.705 59 HG23 VAL 6 HG23 VAL 6 11.912 4.717 9.692 60 H ILE 7 H ILE 7 16.599 2.192 10.151 61 HA ILE 7 HA ILE 7 16.419 0.602 12.662 62 HB ILE 7 HB ILE 7 18.604 0.705 10.567 63 HG12 ILE 7 HG12 ILE 7 16.666 -1.526 11.204 64 HG13 ILE 7 HG13 ILE 7 16.432 -0.373 9.894 65 HG21 ILE 7 HG21 ILE 7 19.867 -0.028 12.274 66 HG22 ILE 7 HG22 ILE 7 18.468 -0.459 13.256 67 HG23 ILE 7 HG23 ILE 7 19.035 -1.558 12.000 68 HD11 ILE 7 HD11 ILE 7 18.066 -2.750 9.998 69 HD12 ILE 7 HD12 ILE 7 17.537 -1.800 8.610 70 HD13 ILE 7 HD13 ILE 7 18.992 -1.337 9.492 71 H ASN 8 H ASN 8 17.142 1.400 14.507 72 HA ASN 8 HA ASN 8 19.207 3.561 14.356 73 HB2 ASN 8 HB2 ASN 8 16.684 4.033 15.144 74 HB3 ASN 8 HB3 ASN 8 17.340 3.475 16.680 75 HD21 ASN 8 HD21 ASN 8 19.673 4.465 17.015 76 HD22 ASN 8 HD22 ASN 8 19.726 6.184 16.847 77 H GLY 9 H GLY 9 20.515 1.448 14.458 78 HA2 GLY 9 HA2 GLY 9 20.628 0.296 17.168 79 HA3 GLY 9 HA3 GLY 9 21.558 -0.217 15.768 80 H LYS 10 H LYS 10 22.176 0.582 18.675 81 HA LYS 10 HA LYS 10 23.618 2.970 18.788 82 HB2 LYS 10 HB2 LYS 10 23.265 1.609 20.752 83 HB3 LYS 10 HB3 LYS 10 24.218 0.295 20.076 84 HG2 LYS 10 HG2 LYS 10 26.191 1.269 20.598 85 HG3 LYS 10 HG3 LYS 10 25.573 2.905 20.360 86 HD2 LYS 10 HD2 LYS 10 24.137 1.973 22.530 87 HD3 LYS 10 HD3 LYS 10 25.755 1.314 22.788 88 HE2 LYS 10 HE2 LYS 10 26.607 3.668 22.310 89 HE3 LYS 10 HE3 LYS 10 24.932 4.190 22.481 90 HZ1 LYS 10 HZ1 LYS 10 24.894 3.599 24.711 91 HZ2 LYS 10 HZ2 LYS 10 26.433 4.276 24.526 92 HZ3 LYS 10 HZ3 LYS 10 26.250 2.595 24.587 93 H THR 11 H THR 11 24.462 -0.060 17.226 94 HA THR 11 HA THR 11 27.073 1.173 16.433 95 HB THR 11 HB THR 11 27.884 -1.138 16.042 96 HG1 THR 11 HG1 THR 11 25.506 -1.978 17.366 97 HG21 THR 11 HG21 THR 11 27.653 0.185 18.437 98 HG22 THR 11 HG22 THR 11 28.628 -1.257 18.156 99 HG23 THR 11 HG23 THR 11 26.999 -1.408 18.815 100 H LEU 12 H LEU 12 24.272 -0.750 15.377 101 HA LEU 12 HA LEU 12 25.100 -0.236 12.554 102 HB2 LEU 12 HB2 LEU 12 24.836 -2.531 12.787 103 HB3 LEU 12 HB3 LEU 12 23.462 -2.369 13.878 104 HG LEU 12 HG LEU 12 21.994 -1.847 12.068 105 HD11 LEU 12 HD11 LEU 12 23.243 -2.106 9.696 106 HD12 LEU 12 HD12 LEU 12 24.517 -1.334 10.639 107 HD13 LEU 12 HD13 LEU 12 22.941 -0.557 10.484 108 HD21 LEU 12 HD21 LEU 12 21.903 -3.913 11.033 109 HD22 LEU 12 HD22 LEU 12 22.849 -4.261 12.481 110 HD23 LEU 12 HD23 LEU 12 23.658 -4.054 10.926 111 H LYS 13 H LYS 13 24.189 1.508 11.715 112 HA LYS 13 HA LYS 13 21.289 1.948 12.305 113 HB2 LYS 13 HB2 LYS 13 23.516 3.691 12.812 114 HB3 LYS 13 HB3 LYS 13 22.492 4.419 11.582 115 HG2 LYS 13 HG2 LYS 13 20.605 4.400 13.013 116 HG3 LYS 13 HG3 LYS 13 21.425 3.370 14.189 117 HD2 LYS 13 HD2 LYS 13 23.019 5.688 13.760 118 HD3 LYS 13 HD3 LYS 13 21.359 6.205 14.063 119 HE2 LYS 13 HE2 LYS 13 21.914 6.000 16.226 120 HE3 LYS 13 HE3 LYS 13 21.682 4.274 15.954 121 HZ1 LYS 13 HZ1 LYS 13 24.238 5.777 15.922 122 HZ2 LYS 13 HZ2 LYS 13 24.095 4.184 15.373 123 HZ3 LYS 13 HZ3 LYS 13 23.774 4.552 16.993 124 H GLY 14 H GLY 14 19.981 2.633 10.622 125 HA2 GLY 14 HA2 GLY 14 20.898 3.526 8.101 126 HA3 GLY 14 HA3 GLY 14 20.771 1.775 8.015 127 H GLU 15 H GLU 15 19.186 2.282 6.314 128 HA GLU 15 HA GLU 15 16.503 2.313 7.524 129 HB2 GLU 15 HB2 GLU 15 17.424 4.729 6.764 130 HB3 GLU 15 HB3 GLU 15 16.799 4.170 5.218 131 HG2 GLU 15 HG2 GLU 15 14.626 4.149 5.943 132 HG3 GLU 15 HG3 GLU 15 15.078 3.945 7.635 133 H THR 16 H THR 16 14.788 1.983 5.789 134 HA THR 16 HA THR 16 15.521 0.983 3.217 135 HB THR 16 HB THR 16 16.561 -0.865 4.407 136 HG1 THR 16 HG1 THR 16 15.743 -1.865 2.722 137 HG21 THR 16 HG21 THR 16 15.171 -0.632 6.484 138 HG22 THR 16 HG22 THR 16 15.389 -2.292 5.930 139 HG23 THR 16 HG23 THR 16 13.867 -1.455 5.629 140 H THR 17 H THR 17 13.705 -0.177 2.135 141 HA THR 17 HA THR 17 11.095 0.325 3.484 142 HB THR 17 HB THR 17 10.212 1.189 1.278 143 HG1 THR 17 HG1 THR 17 12.992 1.496 0.710 144 HG21 THR 17 HG21 THR 17 10.460 2.836 2.906 145 HG22 THR 17 HG22 THR 17 11.413 3.468 1.563 146 HG23 THR 17 HG23 THR 17 12.216 2.690 2.927 147 H THR 18 H THR 18 9.307 -0.855 2.602 148 HA THR 18 HA THR 18 9.920 -2.935 0.610 149 HB THR 18 HB THR 18 8.748 -3.981 3.151 150 HG1 THR 18 HG1 THR 18 11.152 -4.501 3.580 151 HG21 THR 18 HG21 THR 18 10.767 -5.249 1.316 152 HG22 THR 18 HG22 THR 18 9.041 -5.250 0.951 153 HG23 THR 18 HG23 THR 18 9.634 -6.034 2.415 154 H LYS 19 H LYS 19 8.115 -3.799 -0.379 155 HA LYS 19 HA LYS 19 5.569 -2.418 0.346 156 HB2 LYS 19 HB2 LYS 19 4.931 -2.557 -1.911 157 HB3 LYS 19 HB3 LYS 19 6.642 -2.157 -1.976 158 HG2 LYS 19 HG2 LYS 19 6.734 -4.869 -2.029 159 HG3 LYS 19 HG3 LYS 19 5.226 -4.552 -2.892 160 HD2 LYS 19 HD2 LYS 19 7.484 -2.833 -3.661 161 HD3 LYS 19 HD3 LYS 19 7.689 -4.545 -4.038 162 HE2 LYS 19 HE2 LYS 19 6.133 -4.493 -5.655 163 HE3 LYS 19 HE3 LYS 19 5.043 -3.486 -4.703 164 HZ1 LYS 19 HZ1 LYS 19 6.044 -1.555 -5.447 165 HZ2 LYS 19 HZ2 LYS 19 6.063 -2.524 -6.833 166 HZ3 LYS 19 HZ3 LYS 19 7.471 -2.333 -5.916 167 H ALA 20 H ALA 20 3.694 -3.529 0.692 168 HA ALA 20 HA ALA 20 3.476 -6.367 0.128 169 HB1 ALA 20 HB1 ALA 20 4.606 -5.585 2.657 170 HB2 ALA 20 HB2 ALA 20 3.059 -6.396 2.906 171 HB3 ALA 20 HB3 ALA 20 4.341 -7.199 1.999 172 H VAL 21 H VAL 21 1.384 -7.165 0.393 173 HA VAL 21 HA VAL 21 -0.718 -5.355 0.051 174 HB VAL 21 HB VAL 21 -2.223 -7.250 0.768 175 HG11 VAL 21 HG11 VAL 21 -1.404 -6.933 -1.548 176 HG12 VAL 21 HG12 VAL 21 -0.056 -8.013 -1.186 177 HG13 VAL 21 HG13 VAL 21 -1.711 -8.622 -1.145 178 HG21 VAL 21 HG21 VAL 21 0.432 -8.567 1.307 179 HG22 VAL 21 HG22 VAL 21 -0.901 -8.325 2.436 180 HG23 VAL 21 HG23 VAL 21 -1.075 -9.458 1.096 181 H ASP 22 H ASP 22 0.470 -6.848 3.063 182 HA ASP 22 HA ASP 22 -0.855 -4.668 4.563 183 HB2 ASP 22 HB2 ASP 22 -1.764 -6.324 6.220 184 HB3 ASP 22 HB3 ASP 22 -2.554 -6.372 4.646 185 H ALA 23 H ALA 23 -0.297 -4.968 7.016 186 HA ALA 23 HA ALA 23 2.597 -4.988 7.137 187 HB1 ALA 23 HB1 ALA 23 1.445 -5.054 9.747 188 HB2 ALA 23 HB2 ALA 23 2.180 -3.696 8.894 189 HB3 ALA 23 HB3 ALA 23 0.454 -4.017 8.721 190 H GLU 24 H GLU 24 0.045 -7.286 7.844 191 HA GLU 24 HA GLU 24 1.353 -9.010 9.629 192 HB2 GLU 24 HB2 GLU 24 -0.927 -9.420 9.117 193 HB3 GLU 24 HB3 GLU 24 -0.606 -9.542 7.393 194 HG2 GLU 24 HG2 GLU 24 -0.040 -11.703 7.518 195 HG3 GLU 24 HG3 GLU 24 0.829 -11.494 9.037 196 H THR 25 H THR 25 1.391 -9.101 6.043 197 HA THR 25 HA THR 25 3.331 -11.258 5.986 198 HB THR 25 HB THR 25 1.695 -10.794 4.149 199 HG1 THR 25 HG1 THR 25 3.139 -11.438 2.589 200 HG21 THR 25 HG21 THR 25 1.863 -8.361 4.087 201 HG22 THR 25 HG22 THR 25 2.248 -9.047 2.508 202 HG23 THR 25 HG23 THR 25 3.542 -8.477 3.562 203 H ALA 26 H ALA 26 3.458 -7.744 5.977 204 HA ALA 26 HA ALA 26 6.159 -7.504 5.030 205 HB1 ALA 26 HB1 ALA 26 5.780 -5.307 5.222 206 HB2 ALA 26 HB2 ALA 26 4.124 -5.761 5.627 207 HB3 ALA 26 HB3 ALA 26 5.289 -5.439 6.911 208 H GLU 27 H GLU 27 4.711 -7.893 8.252 209 HA GLU 27 HA GLU 27 6.933 -7.327 9.853 210 HB2 GLU 27 HB2 GLU 27 4.769 -7.814 10.814 211 HB3 GLU 27 HB3 GLU 27 4.806 -9.457 10.191 212 HG2 GLU 27 HG2 GLU 27 6.334 -10.165 11.763 213 HG3 GLU 27 HG3 GLU 27 6.941 -8.537 12.059 214 H LYS 28 H LYS 28 6.220 -10.221 7.949 215 HA LYS 28 HA LYS 28 8.404 -11.767 9.075 216 HB2 LYS 28 HB2 LYS 28 6.558 -12.954 8.118 217 HB3 LYS 28 HB3 LYS 28 6.697 -12.084 6.596 218 HG2 LYS 28 HG2 LYS 28 8.871 -13.167 6.202 219 HG3 LYS 28 HG3 LYS 28 8.665 -14.079 7.699 220 HD2 LYS 28 HD2 LYS 28 6.913 -15.342 6.834 221 HD3 LYS 28 HD3 LYS 28 6.567 -14.168 5.562 222 HE2 LYS 28 HE2 LYS 28 9.016 -14.797 4.804 223 HE3 LYS 28 HE3 LYS 28 8.664 -16.278 5.694 224 HZ1 LYS 28 HZ1 LYS 28 6.480 -15.606 4.034 225 HZ2 LYS 28 HZ2 LYS 28 7.438 -16.999 4.015 226 HZ3 LYS 28 HZ3 LYS 28 7.897 -15.645 3.110 227 H ALA 29 H ALA 29 7.888 -10.210 5.877 228 HA ALA 29 HA ALA 29 10.474 -10.701 4.862 229 HB1 ALA 29 HB1 ALA 29 8.302 -9.658 3.793 230 HB2 ALA 29 HB2 ALA 29 9.100 -8.137 4.193 231 HB3 ALA 29 HB3 ALA 29 9.900 -9.302 3.138 232 H PHE 30 H PHE 30 9.305 -8.233 7.088 233 HA PHE 30 HA PHE 30 11.769 -6.668 6.912 234 HB2 PHE 30 HB2 PHE 30 9.184 -6.494 8.356 235 HB3 PHE 30 HB3 PHE 30 10.568 -5.783 9.181 236 HD1 PHE 30 HD1 PHE 30 12.145 -4.512 7.240 237 HD2 PHE 30 HD2 PHE 30 7.907 -4.906 7.321 238 HE1 PHE 30 HE1 PHE 30 11.934 -2.491 5.853 239 HE2 PHE 30 HE2 PHE 30 7.690 -2.886 5.933 240 HZ PHE 30 HZ PHE 30 9.704 -1.676 5.197 241 H LYS 31 H LYS 31 10.245 -8.854 9.297 242 HA LYS 31 HA LYS 31 12.172 -8.682 11.322 243 HB2 LYS 31 HB2 LYS 31 10.289 -10.812 10.394 244 HB3 LYS 31 HB3 LYS 31 11.519 -11.254 11.571 245 HG2 LYS 31 HG2 LYS 31 9.623 -8.951 11.948 246 HG3 LYS 31 HG3 LYS 31 9.301 -10.588 12.525 247 HD2 LYS 31 HD2 LYS 31 11.572 -10.412 13.703 248 HD3 LYS 31 HD3 LYS 31 11.452 -8.679 13.391 249 HE2 LYS 31 HE2 LYS 31 9.322 -10.273 14.804 250 HE3 LYS 31 HE3 LYS 31 10.622 -9.427 15.642 251 HZ1 LYS 31 HZ1 LYS 31 8.193 -8.389 14.698 252 HZ2 LYS 31 HZ2 LYS 31 9.450 -7.633 13.856 253 HZ3 LYS 31 HZ3 LYS 31 9.418 -7.590 15.547 254 H GLN 32 H GLN 32 12.134 -10.844 8.470 255 HA GLN 32 HA GLN 32 14.469 -12.296 9.057 256 HB2 GLN 32 HB2 GLN 32 13.070 -12.963 7.233 257 HB3 GLN 32 HB3 GLN 32 13.287 -11.423 6.414 258 HG2 GLN 32 HG2 GLN 32 15.515 -11.928 5.838 259 HG3 GLN 32 HG3 GLN 32 15.563 -13.306 6.936 260 HE21 GLN 32 HE21 GLN 32 16.392 -14.163 4.772 261 HE22 GLN 32 HE22 GLN 32 15.210 -14.903 3.752 262 H TYR 33 H TYR 33 14.073 -9.020 7.876 263 HA TYR 33 HA TYR 33 16.733 -8.667 6.872 264 HB2 TYR 33 HB2 TYR 33 14.627 -7.177 6.587 265 HB3 TYR 33 HB3 TYR 33 15.106 -6.454 8.118 266 HD1 TYR 33 HD2 TYR 33 16.826 -7.457 4.946 267 HD2 TYR 33 HD1 TYR 33 16.229 -4.460 7.906 268 HE1 TYR 33 HE2 TYR 33 18.384 -5.976 3.752 269 HE2 TYR 33 HE1 TYR 33 17.785 -2.970 6.720 270 HH TYR 33 HH TYR 33 19.461 -2.952 5.124 271 H ALA 34 H ALA 34 15.267 -7.561 9.963 272 HA ALA 34 HA ALA 34 17.600 -6.596 11.161 273 HB1 ALA 34 HB1 ALA 34 15.067 -6.743 11.949 274 HB2 ALA 34 HB2 ALA 34 15.696 -8.099 12.886 275 HB3 ALA 34 HB3 ALA 34 16.388 -6.490 13.090 276 H ASN 35 H ASN 35 16.271 -9.922 11.316 277 HA ASN 35 HA ASN 35 18.215 -11.041 13.002 278 HB2 ASN 35 HB2 ASN 35 16.401 -12.084 10.879 279 HB3 ASN 35 HB3 ASN 35 17.715 -13.137 11.392 280 HD21 ASN 35 HD21 ASN 35 16.163 -14.580 12.232 281 HD22 ASN 35 HD22 ASN 35 15.386 -14.271 13.744 282 H ASP 36 H ASP 36 18.201 -11.104 9.407 283 HA ASP 36 HA ASP 36 20.833 -12.185 9.192 284 HB2 ASP 36 HB2 ASP 36 19.465 -10.399 7.164 285 HB3 ASP 36 HB3 ASP 36 20.688 -11.629 6.860 286 H ASN 37 H ASN 37 19.726 -9.060 10.054 287 HA ASN 37 HA ASN 37 22.314 -7.815 9.286 288 HB2 ASN 37 HB2 ASN 37 19.607 -6.776 10.052 289 HB3 ASN 37 HB3 ASN 37 21.015 -5.753 10.321 290 HD21 ASN 37 HD21 ASN 37 18.661 -6.586 8.164 291 HD22 ASN 37 HD22 ASN 37 19.391 -6.002 6.712 292 H GLY 38 H GLY 38 21.081 -9.559 11.803 293 HA2 GLY 38 HA2 GLY 38 21.885 -9.878 13.952 294 HA3 GLY 38 HA3 GLY 38 23.222 -8.806 13.563 295 H VAL 39 H VAL 39 19.762 -8.030 13.481 296 HA VAL 39 HA VAL 39 20.242 -6.196 15.797 297 HB VAL 39 HB VAL 39 18.445 -5.580 13.442 298 HG11 VAL 39 HG11 VAL 39 17.944 -4.560 15.690 299 HG12 VAL 39 HG12 VAL 39 19.496 -3.728 15.569 300 HG13 VAL 39 HG13 VAL 39 18.231 -3.413 14.382 301 HG21 VAL 39 HG21 VAL 39 20.410 -3.759 13.245 302 HG22 VAL 39 HG22 VAL 39 21.334 -5.132 13.854 303 HG23 VAL 39 HG23 VAL 39 20.409 -5.285 12.360 304 H ASP 40 H ASP 40 18.733 -6.149 17.370 305 HA ASP 40 HA ASP 40 16.053 -7.236 16.881 306 HB2 ASP 40 HB2 ASP 40 17.377 -9.280 17.314 307 HB3 ASP 40 HB3 ASP 40 17.913 -8.606 18.850 308 H GLY 41 H GLY 41 14.568 -6.816 18.587 309 HA2 GLY 41 HA2 GLY 41 15.030 -5.828 21.102 310 HA3 GLY 41 HA3 GLY 41 15.311 -4.422 20.086 311 H VAL 42 H VAL 42 13.633 -3.099 20.146 312 HA VAL 42 HA VAL 42 10.925 -4.288 20.427 313 HB VAL 42 HB VAL 42 11.867 -1.417 20.647 314 HG11 VAL 42 HG11 VAL 42 9.172 -2.638 20.565 315 HG12 VAL 42 HG12 VAL 42 9.443 -1.374 21.766 316 HG13 VAL 42 HG13 VAL 42 9.710 -1.038 20.055 317 HG21 VAL 42 HG21 VAL 42 10.725 -3.059 22.871 318 HG22 VAL 42 HG22 VAL 42 12.432 -3.200 22.450 319 HG23 VAL 42 HG23 VAL 42 11.773 -1.642 22.950 320 H TRP 43 H TRP 43 9.308 -4.058 18.954 321 HA TRP 43 HA TRP 43 9.981 -2.553 16.465 322 HB2 TRP 43 HB2 TRP 43 9.154 -5.421 16.762 323 HB3 TRP 43 HB3 TRP 43 8.604 -4.520 15.352 324 HD1 TRP 43 HD1 TRP 43 11.863 -5.707 17.034 325 HE1 TRP 43 HE1 TRP 43 13.705 -5.805 15.239 326 HE3 TRP 43 HE3 TRP 43 9.290 -3.666 13.115 327 HZ2 TRP 43 HZ2 TRP 43 14.026 -5.109 12.522 328 HZ3 TRP 43 HZ3 TRP 43 10.437 -3.416 10.953 329 HH2 TRP 43 HH2 TRP 43 12.756 -4.123 10.665 330 H THR 44 H THR 44 8.414 -1.269 15.716 331 HA THR 44 HA THR 44 5.683 -1.659 16.879 332 HB THR 44 HB THR 44 5.441 0.851 16.671 333 HG1 THR 44 HG1 THR 44 7.594 1.928 16.753 334 HG21 THR 44 HG21 THR 44 6.977 1.280 18.707 335 HG22 THR 44 HG22 THR 44 7.347 -0.441 18.594 336 HG23 THR 44 HG23 THR 44 5.686 0.090 18.862 337 H TYR 45 H TYR 45 3.957 -0.510 15.585 338 HA TYR 45 HA TYR 45 4.599 -0.276 12.710 339 HB2 TYR 45 HB2 TYR 45 4.079 -2.564 12.670 340 HB3 TYR 45 HB3 TYR 45 2.823 -2.405 13.893 341 HD1 TYR 45 HD1 TYR 45 3.561 -1.037 10.486 342 HD2 TYR 45 HD2 TYR 45 0.660 -2.645 13.150 343 HE1 TYR 45 HE1 TYR 45 1.863 -0.894 8.713 344 HE2 TYR 45 HE2 TYR 45 -1.046 -2.508 11.384 345 HH TYR 45 HH TYR 45 -0.274 -1.921 8.123 346 H ASP 46 H ASP 46 3.202 1.015 11.569 347 HA ASP 46 HA ASP 46 0.842 2.060 13.063 348 HB2 ASP 46 HB2 ASP 46 2.617 3.691 13.395 349 HB3 ASP 46 HB3 ASP 46 2.954 3.729 11.666 350 H ASP 47 H ASP 47 -0.917 1.749 11.900 351 HA ASP 47 HA ASP 47 -0.714 1.197 9.040 352 HB2 ASP 47 HB2 ASP 47 -3.139 0.848 9.173 353 HB3 ASP 47 HB3 ASP 47 -2.315 -0.006 10.474 354 H ALA 48 H ALA 48 -0.546 4.002 10.693 355 HA ALA 48 HA ALA 48 -2.339 5.547 8.915 356 HB1 ALA 48 HB1 ALA 48 -1.965 7.378 10.345 357 HB2 ALA 48 HB2 ALA 48 -2.066 5.978 11.414 358 HB3 ALA 48 HB3 ALA 48 -0.494 6.671 11.015 359 H THR 49 H THR 49 1.106 5.728 9.932 360 HA THR 49 HA THR 49 1.683 7.008 7.298 361 HB THR 49 HB THR 49 3.892 6.913 9.219 362 HG1 THR 49 HG1 THR 49 2.719 7.427 10.907 363 HG21 THR 49 HG21 THR 49 4.325 9.012 8.405 364 HG22 THR 49 HG22 THR 49 2.617 9.425 8.254 365 HG23 THR 49 HG23 THR 49 3.377 8.365 7.067 366 H LYS 50 H LYS 50 1.234 4.134 7.629 367 HA LYS 50 HA LYS 50 2.385 2.094 7.409 368 HB2 LYS 50 HB2 LYS 50 2.649 3.862 5.085 369 HB3 LYS 50 HB3 LYS 50 3.862 2.589 5.118 370 HG2 LYS 50 HG2 LYS 50 2.311 1.336 4.124 371 HG3 LYS 50 HG3 LYS 50 1.576 1.220 5.724 372 HD2 LYS 50 HD2 LYS 50 -0.120 1.867 4.154 373 HD3 LYS 50 HD3 LYS 50 0.239 3.252 5.187 374 HE2 LYS 50 HE2 LYS 50 2.006 3.566 3.107 375 HE3 LYS 50 HE3 LYS 50 0.576 2.917 2.306 376 HZ1 LYS 50 HZ1 LYS 50 -0.369 4.897 2.448 377 HZ2 LYS 50 HZ2 LYS 50 1.016 5.527 3.187 378 HZ3 LYS 50 HZ3 LYS 50 -0.231 4.886 4.134 379 H THR 51 H THR 51 3.732 3.260 9.393 380 HA THR 51 HA THR 51 6.597 2.893 8.597 381 HB THR 51 HB THR 51 5.467 4.675 10.777 382 HG1 THR 51 HG1 THR 51 6.257 6.334 9.462 383 HG21 THR 51 HG21 THR 51 8.326 4.092 9.997 384 HG22 THR 51 HG22 THR 51 7.546 3.685 11.526 385 HG23 THR 51 HG23 THR 51 7.822 5.374 11.099 386 H PHE 52 H PHE 52 7.919 1.660 9.894 387 HA PHE 52 HA PHE 52 6.465 0.083 11.976 388 HB2 PHE 52 HB2 PHE 52 8.249 -0.670 9.788 389 HB3 PHE 52 HB3 PHE 52 8.782 -1.320 11.335 390 HD1 PHE 52 HD1 PHE 52 6.088 -1.301 8.848 391 HD2 PHE 52 HD2 PHE 52 7.518 -3.002 12.478 392 HE1 PHE 52 HE1 PHE 52 4.414 -3.096 8.663 393 HE2 PHE 52 HE2 PHE 52 5.848 -4.800 12.298 394 HZ PHE 52 HZ PHE 52 4.294 -4.849 10.388 395 H THR 53 H THR 53 9.840 0.985 11.134 396 HA THR 53 HA THR 53 11.530 1.831 12.448 397 HB THR 53 HB THR 53 9.629 2.320 14.731 398 HG1 THR 53 HG1 THR 53 8.505 3.617 13.507 399 HG21 THR 53 HG21 THR 53 11.208 3.741 15.477 400 HG22 THR 53 HG22 THR 53 11.540 4.371 13.863 401 HG23 THR 53 HG23 THR 53 12.282 2.861 14.390 402 H VAL 54 H VAL 54 13.058 0.914 13.712 403 HA VAL 54 HA VAL 54 12.146 -1.233 15.581 404 HB VAL 54 HB VAL 54 12.905 -2.442 13.679 405 HG11 VAL 54 HG11 VAL 54 15.524 -1.840 13.151 406 HG12 VAL 54 HG12 VAL 54 14.138 -1.290 12.207 407 HG13 VAL 54 HG13 VAL 54 14.824 -0.250 13.456 408 HG21 VAL 54 HG21 VAL 54 15.328 -2.378 15.457 409 HG22 VAL 54 HG22 VAL 54 13.795 -3.077 15.979 410 HG23 VAL 54 HG23 VAL 54 14.641 -3.749 14.585 411 H THR 55 H THR 55 12.910 -0.997 17.564 412 HA THR 55 HA THR 55 15.277 0.791 17.918 413 HB THR 55 HB THR 55 13.522 -0.010 20.210 414 HG1 THR 55 HG1 THR 55 12.862 2.120 18.441 415 HG21 THR 55 HG21 THR 55 14.322 1.899 21.204 416 HG22 THR 55 HG22 THR 55 14.530 2.742 19.669 417 HG23 THR 55 HG23 THR 55 15.685 1.502 20.158 418 H GLU 56 H GLU 56 17.145 -0.058 18.523 419 HA GLU 56 HA GLU 56 17.111 -2.844 19.581 420 HB2 GLU 56 HB2 GLU 56 18.536 -1.864 17.523 421 HB3 GLU 56 HB3 GLU 56 19.662 -1.507 18.825 422 HG2 GLU 56 HG2 GLU 56 19.093 -4.045 19.436 423 HG3 GLU 56 HG3 GLU 56 18.827 -4.100 17.694 Start of MODEL 50 1 H1 MET 1 H MET 1 -0.460 -0.084 0.773 2 HA MET 1 HA MET 1 1.902 -1.453 -0.066 3 HB2 MET 1 HB2 MET 1 1.725 0.040 -2.072 4 HB3 MET 1 HB3 MET 1 0.277 -0.897 -1.732 5 HG2 MET 1 HG2 MET 1 0.158 1.642 -0.397 6 HG3 MET 1 HG3 MET 1 0.479 1.860 -2.116 7 HE1 MET 1 HE1 MET 1 -1.570 0.684 -4.104 8 HE2 MET 1 HE2 MET 1 -2.753 1.890 -3.598 9 HE3 MET 1 HE3 MET 1 -1.032 2.275 -3.565 10 H GLN 2 H GLN 2 3.988 -0.801 -0.169 11 HA GLN 2 HA GLN 2 5.852 0.473 0.246 12 HB2 GLN 2 HB2 GLN 2 3.882 2.371 -0.666 13 HB3 GLN 2 HB3 GLN 2 4.898 3.117 0.560 14 HG2 GLN 2 HG2 GLN 2 6.693 3.168 -0.774 15 HG3 GLN 2 HG3 GLN 2 6.359 1.578 -1.457 16 HE21 GLN 2 HE21 GLN 2 6.377 1.853 -3.580 17 HE22 GLN 2 HE22 GLN 2 5.474 3.042 -4.449 18 H TYR 3 H TYR 3 6.852 0.361 2.127 19 HA TYR 3 HA TYR 3 5.528 1.637 4.479 20 HB2 TYR 3 HB2 TYR 3 6.805 -1.107 4.353 21 HB3 TYR 3 HB3 TYR 3 6.435 -0.276 5.859 22 HD1 TYR 3 HD1 TYR 3 4.756 -1.288 2.676 23 HD2 TYR 3 HD2 TYR 3 4.412 -0.722 6.879 24 HE1 TYR 3 HE1 TYR 3 2.469 -2.190 2.604 25 HE2 TYR 3 HE2 TYR 3 2.125 -1.624 6.819 26 HH TYR 3 HH TYR 3 0.535 -2.530 5.565 27 H LYS 4 H LYS 4 6.901 2.467 6.074 28 HA LYS 4 HA LYS 4 9.679 2.911 5.078 29 HB2 LYS 4 HB2 LYS 4 8.370 4.940 5.414 30 HB3 LYS 4 HB3 LYS 4 8.001 4.466 7.067 31 HG2 LYS 4 HG2 LYS 4 9.750 6.182 6.942 32 HG3 LYS 4 HG3 LYS 4 10.320 4.691 7.694 33 HD2 LYS 4 HD2 LYS 4 11.915 4.463 6.159 34 HD3 LYS 4 HD3 LYS 4 10.739 4.597 4.850 35 HE2 LYS 4 HE2 LYS 4 10.895 7.175 5.618 36 HE3 LYS 4 HE3 LYS 4 12.524 6.634 6.022 37 HZ1 LYS 4 HZ1 LYS 4 11.243 6.885 3.409 38 HZ2 LYS 4 HZ2 LYS 4 12.334 5.609 3.615 39 HZ3 LYS 4 HZ3 LYS 4 12.841 7.203 3.865 40 H LEU 5 H LEU 5 11.223 1.737 5.972 41 HA LEU 5 HA LEU 5 10.771 0.701 8.729 42 HB2 LEU 5 HB2 LEU 5 11.306 -0.828 6.764 43 HB3 LEU 5 HB3 LEU 5 12.927 -0.137 6.795 44 HG LEU 5 HG LEU 5 13.137 -0.952 9.154 45 HD11 LEU 5 HD11 LEU 5 10.409 -1.937 8.524 46 HD12 LEU 5 HD12 LEU 5 11.074 -1.331 10.040 47 HD13 LEU 5 HD13 LEU 5 11.458 -2.965 9.500 48 HD21 LEU 5 HD21 LEU 5 12.735 -2.851 6.863 49 HD22 LEU 5 HD22 LEU 5 13.291 -3.400 8.444 50 HD23 LEU 5 HD23 LEU 5 14.244 -2.230 7.531 51 H VAL 6 H VAL 6 11.626 1.853 10.312 52 HA VAL 6 HA VAL 6 14.210 3.258 9.758 53 HB VAL 6 HB VAL 6 12.086 3.905 11.822 54 HG11 VAL 6 HG11 VAL 6 13.793 4.846 12.921 55 HG12 VAL 6 HG12 VAL 6 14.879 4.710 11.536 56 HG13 VAL 6 HG13 VAL 6 13.759 6.068 11.650 57 HG21 VAL 6 HG21 VAL 6 12.739 4.984 9.122 58 HG22 VAL 6 HG22 VAL 6 11.168 4.699 9.872 59 HG23 VAL 6 HG23 VAL 6 12.139 6.087 10.361 60 H ILE 7 H ILE 7 15.905 2.225 10.554 61 HA ILE 7 HA ILE 7 15.528 0.605 13.027 62 HB ILE 7 HB ILE 7 17.816 0.609 11.042 63 HG12 ILE 7 HG12 ILE 7 15.782 -1.570 11.501 64 HG13 ILE 7 HG13 ILE 7 15.544 -0.306 10.299 65 HG21 ILE 7 HG21 ILE 7 18.961 -0.341 12.702 66 HG22 ILE 7 HG22 ILE 7 17.521 -0.502 13.706 67 HG23 ILE 7 HG23 ILE 7 17.898 -1.734 12.502 68 HD11 ILE 7 HD11 ILE 7 17.433 -2.586 10.311 69 HD12 ILE 7 HD12 ILE 7 16.475 -1.909 8.994 70 HD13 ILE 7 HD13 ILE 7 17.943 -1.090 9.528 71 H ASN 8 H ASN 8 16.564 1.028 14.894 72 HA ASN 8 HA ASN 8 18.435 3.364 14.863 73 HB2 ASN 8 HB2 ASN 8 15.999 2.899 16.385 74 HB3 ASN 8 HB3 ASN 8 17.376 3.166 17.450 75 HD21 ASN 8 HD21 ASN 8 18.863 5.000 16.425 76 HD22 ASN 8 HD22 ASN 8 18.004 6.458 16.077 77 H GLY 9 H GLY 9 20.092 1.688 14.522 78 HA2 GLY 9 HA2 GLY 9 20.646 0.139 17.010 79 HA3 GLY 9 HA3 GLY 9 21.293 -0.225 15.417 80 H LYS 10 H LYS 10 22.864 -0.067 17.744 81 HA LYS 10 HA LYS 10 24.125 2.558 17.836 82 HB2 LYS 10 HB2 LYS 10 24.630 -0.121 19.091 83 HB3 LYS 10 HB3 LYS 10 25.898 1.096 19.129 84 HG2 LYS 10 HG2 LYS 10 24.024 2.636 20.064 85 HG3 LYS 10 HG3 LYS 10 23.220 1.111 20.443 86 HD2 LYS 10 HD2 LYS 10 24.433 1.034 22.309 87 HD3 LYS 10 HD3 LYS 10 25.857 0.777 21.297 88 HE2 LYS 10 HE2 LYS 10 26.231 3.175 21.180 89 HE3 LYS 10 HE3 LYS 10 24.769 3.468 22.121 90 HZ1 LYS 10 HZ1 LYS 10 25.836 3.058 24.016 91 HZ2 LYS 10 HZ2 LYS 10 27.271 3.196 23.132 92 HZ3 LYS 10 HZ3 LYS 10 26.595 1.671 23.412 93 H THR 11 H THR 11 24.526 -0.388 16.022 94 HA THR 11 HA THR 11 26.985 0.797 14.792 95 HB THR 11 HB THR 11 26.793 -2.053 14.343 96 HG1 THR 11 HG1 THR 11 27.184 -1.393 17.069 97 HG21 THR 11 HG21 THR 11 28.903 -1.209 14.042 98 HG22 THR 11 HG22 THR 11 29.050 -1.789 15.701 99 HG23 THR 11 HG23 THR 11 28.760 -0.078 15.387 100 H LEU 12 H LEU 12 23.859 0.562 14.269 101 HA LEU 12 HA LEU 12 24.237 0.287 11.349 102 HB2 LEU 12 HB2 LEU 12 23.153 -1.795 12.890 103 HB3 LEU 12 HB3 LEU 12 21.775 -1.009 12.121 104 HG LEU 12 HG LEU 12 22.708 -1.418 9.933 105 HD11 LEU 12 HD11 LEU 12 24.784 -2.908 9.828 106 HD12 LEU 12 HD12 LEU 12 25.084 -2.388 11.486 107 HD13 LEU 12 HD13 LEU 12 25.020 -1.197 10.187 108 HD21 LEU 12 HD21 LEU 12 21.384 -3.194 11.059 109 HD22 LEU 12 HD22 LEU 12 22.897 -3.936 11.581 110 HD23 LEU 12 HD23 LEU 12 22.523 -3.809 9.861 111 H LYS 13 H LYS 13 23.407 2.033 10.454 112 HA LYS 13 HA LYS 13 20.797 3.030 11.463 113 HB2 LYS 13 HB2 LYS 13 23.371 4.587 11.349 114 HB3 LYS 13 HB3 LYS 13 21.830 5.407 11.135 115 HG2 LYS 13 HG2 LYS 13 21.566 5.498 13.326 116 HG3 LYS 13 HG3 LYS 13 21.623 3.736 13.418 117 HD2 LYS 13 HD2 LYS 13 23.768 3.715 14.125 118 HD3 LYS 13 HD3 LYS 13 24.228 5.075 13.097 119 HE2 LYS 13 HE2 LYS 13 22.402 5.684 15.338 120 HE3 LYS 13 HE3 LYS 13 24.046 5.223 15.778 121 HZ1 LYS 13 HZ1 LYS 13 24.668 7.278 15.304 122 HZ2 LYS 13 HZ2 LYS 13 23.118 7.683 14.762 123 HZ3 LYS 13 HZ3 LYS 13 24.248 7.033 13.684 124 H GLY 14 H GLY 14 20.037 2.030 9.507 125 HA2 GLY 14 HA2 GLY 14 20.498 3.828 7.173 126 HA3 GLY 14 HA3 GLY 14 20.603 2.086 6.969 127 H GLU 15 H GLU 15 18.909 2.924 5.304 128 HA GLU 15 HA GLU 15 16.243 2.651 6.634 129 HB2 GLU 15 HB2 GLU 15 17.204 4.552 4.554 130 HB3 GLU 15 HB3 GLU 15 15.581 3.906 4.351 131 HG2 GLU 15 HG2 GLU 15 15.072 4.660 6.673 132 HG3 GLU 15 HG3 GLU 15 16.644 5.458 6.696 133 H THR 16 H THR 16 14.971 1.051 5.954 134 HA THR 16 HA THR 16 15.747 -0.302 3.398 135 HB THR 16 HB THR 16 14.430 -1.883 5.562 136 HG1 THR 16 HG1 THR 16 17.244 -1.526 5.554 137 HG21 THR 16 HG21 THR 16 15.532 -3.698 4.560 138 HG22 THR 16 HG22 THR 16 16.722 -2.657 3.778 139 HG23 THR 16 HG23 THR 16 15.054 -2.677 3.205 140 H THR 17 H THR 17 14.212 0.666 2.116 141 HA THR 17 HA THR 17 11.387 0.541 2.997 142 HB THR 17 HB THR 17 10.876 2.022 1.257 143 HG1 THR 17 HG1 THR 17 13.299 1.147 0.047 144 HG21 THR 17 HG21 THR 17 13.719 2.853 1.743 145 HG22 THR 17 HG22 THR 17 12.528 2.879 3.044 146 HG23 THR 17 HG23 THR 17 12.278 3.859 1.600 147 H THR 18 H THR 18 9.763 -0.564 1.921 148 HA THR 18 HA THR 18 10.426 -2.207 -0.413 149 HB THR 18 HB THR 18 9.421 -3.750 1.962 150 HG1 THR 18 HG1 THR 18 12.181 -3.529 1.316 151 HG21 THR 18 HG21 THR 18 9.288 -5.168 0.196 152 HG22 THR 18 HG22 THR 18 11.000 -5.410 0.546 153 HG23 THR 18 HG23 THR 18 10.509 -4.298 -0.731 154 H LYS 19 H LYS 19 8.529 -3.504 -1.149 155 HA LYS 19 HA LYS 19 6.038 -1.999 -0.478 156 HB2 LYS 19 HB2 LYS 19 5.285 -2.400 -2.668 157 HB3 LYS 19 HB3 LYS 19 6.993 -2.030 -2.863 158 HG2 LYS 19 HG2 LYS 19 6.957 -4.772 -2.553 159 HG3 LYS 19 HG3 LYS 19 5.525 -4.438 -3.528 160 HD2 LYS 19 HD2 LYS 19 8.011 -3.025 -4.289 161 HD3 LYS 19 HD3 LYS 19 7.970 -4.766 -4.577 162 HE2 LYS 19 HE2 LYS 19 5.676 -3.051 -5.436 163 HE3 LYS 19 HE3 LYS 19 7.139 -3.119 -6.418 164 HZ1 LYS 19 HZ1 LYS 19 6.890 -5.532 -6.526 165 HZ2 LYS 19 HZ2 LYS 19 5.539 -4.744 -7.168 166 HZ3 LYS 19 HZ3 LYS 19 5.460 -5.438 -5.627 167 H ALA 20 H ALA 20 4.088 -3.077 -0.133 168 HA ALA 20 HA ALA 20 3.933 -5.970 -0.217 169 HB1 ALA 20 HB1 ALA 20 4.189 -4.640 2.486 170 HB2 ALA 20 HB2 ALA 20 3.621 -6.291 2.230 171 HB3 ALA 20 HB3 ALA 20 5.268 -5.845 1.782 172 H VAL 21 H VAL 21 1.844 -6.732 -0.004 173 HA VAL 21 HA VAL 21 -0.234 -4.827 -0.493 174 HB VAL 21 HB VAL 21 -1.776 -6.753 -0.235 175 HG11 VAL 21 HG11 VAL 21 -0.424 -8.249 -1.949 176 HG12 VAL 21 HG12 VAL 21 -1.058 -6.665 -2.400 177 HG13 VAL 21 HG13 VAL 21 0.641 -6.844 -1.961 178 HG21 VAL 21 HG21 VAL 21 0.576 -7.896 1.094 179 HG22 VAL 21 HG22 VAL 21 -1.136 -8.274 1.291 180 HG23 VAL 21 HG23 VAL 21 -0.224 -8.980 -0.044 181 H ASP 22 H ASP 22 0.863 -6.522 2.417 182 HA ASP 22 HA ASP 22 -0.639 -4.588 4.049 183 HB2 ASP 22 HB2 ASP 22 -1.564 -6.541 5.452 184 HB3 ASP 22 HB3 ASP 22 -2.374 -6.177 3.931 185 H ALA 23 H ALA 23 0.141 -4.369 6.150 186 HA ALA 23 HA ALA 23 2.886 -4.822 6.523 187 HB1 ALA 23 HB1 ALA 23 2.074 -4.633 9.074 188 HB2 ALA 23 HB2 ALA 23 2.156 -3.250 7.982 189 HB3 ALA 23 HB3 ALA 23 0.615 -4.059 8.266 190 H GLU 24 H GLU 24 0.168 -6.948 7.085 191 HA GLU 24 HA GLU 24 1.200 -8.726 8.975 192 HB2 GLU 24 HB2 GLU 24 -1.027 -9.038 8.219 193 HB3 GLU 24 HB3 GLU 24 -0.527 -9.184 6.540 194 HG2 GLU 24 HG2 GLU 24 -1.207 -11.324 7.573 195 HG3 GLU 24 HG3 GLU 24 0.439 -11.330 6.941 196 H THR 25 H THR 25 1.728 -8.711 5.438 197 HA THR 25 HA THR 25 3.709 -10.893 5.752 198 HB THR 25 HB THR 25 2.044 -10.933 3.878 199 HG1 THR 25 HG1 THR 25 4.439 -11.720 3.871 200 HG21 THR 25 HG21 THR 25 2.022 -8.528 3.382 201 HG22 THR 25 HG22 THR 25 2.408 -9.479 1.948 202 HG23 THR 25 HG23 THR 25 3.689 -8.633 2.815 203 H ALA 26 H ALA 26 3.502 -7.446 5.274 204 HA ALA 26 HA ALA 26 6.109 -7.047 4.148 205 HB1 ALA 26 HB1 ALA 26 3.949 -5.455 4.685 206 HB2 ALA 26 HB2 ALA 26 5.119 -4.902 5.884 207 HB3 ALA 26 HB3 ALA 26 5.535 -4.880 4.170 208 H GLU 27 H GLU 27 4.884 -7.141 7.494 209 HA GLU 27 HA GLU 27 7.148 -6.248 8.858 210 HB2 GLU 27 HB2 GLU 27 5.067 -6.778 9.993 211 HB3 GLU 27 HB3 GLU 27 5.243 -8.484 9.604 212 HG2 GLU 27 HG2 GLU 27 7.070 -8.731 11.080 213 HG3 GLU 27 HG3 GLU 27 7.234 -6.987 11.280 214 H LYS 28 H LYS 28 6.378 -9.680 8.119 215 HA LYS 28 HA LYS 28 8.748 -10.826 9.024 216 HB2 LYS 28 HB2 LYS 28 6.651 -11.532 7.102 217 HB3 LYS 28 HB3 LYS 28 8.204 -12.262 6.716 218 HG2 LYS 28 HG2 LYS 28 8.170 -13.620 8.518 219 HG3 LYS 28 HG3 LYS 28 7.340 -12.437 9.532 220 HD2 LYS 28 HD2 LYS 28 5.292 -12.903 8.057 221 HD3 LYS 28 HD3 LYS 28 6.175 -14.331 7.513 222 HE2 LYS 28 HE2 LYS 28 5.774 -13.755 10.430 223 HE3 LYS 28 HE3 LYS 28 4.540 -14.581 9.482 224 HZ1 LYS 28 HZ1 LYS 28 6.451 -16.126 8.812 225 HZ2 LYS 28 HZ2 LYS 28 5.794 -16.297 10.361 226 HZ3 LYS 28 HZ3 LYS 28 7.265 -15.488 10.151 227 H ALA 29 H ALA 29 8.107 -9.323 5.852 228 HA ALA 29 HA ALA 29 10.537 -9.972 4.590 229 HB1 ALA 29 HB1 ALA 29 9.828 -8.587 2.963 230 HB2 ALA 29 HB2 ALA 29 8.340 -8.533 3.908 231 HB3 ALA 29 HB3 ALA 29 9.537 -7.249 4.074 232 H PHE 30 H PHE 30 9.761 -7.324 6.837 233 HA PHE 30 HA PHE 30 12.416 -6.143 6.581 234 HB2 PHE 30 HB2 PHE 30 10.389 -5.647 8.776 235 HB3 PHE 30 HB3 PHE 30 11.677 -4.576 8.235 236 HD1 PHE 30 HD2 PHE 30 11.452 -4.398 5.424 237 HD2 PHE 30 HD1 PHE 30 8.337 -4.752 8.303 238 HE1 PHE 30 HE2 PHE 30 9.891 -3.309 3.864 239 HE2 PHE 30 HE1 PHE 30 6.771 -3.665 6.748 240 HZ PHE 30 HZ PHE 30 7.547 -2.940 4.526 241 H LYS 31 H LYS 31 10.735 -8.295 8.845 242 HA LYS 31 HA LYS 31 12.731 -8.280 10.883 243 HB2 LYS 31 HB2 LYS 31 10.649 -10.310 10.058 244 HB3 LYS 31 HB3 LYS 31 11.720 -10.572 11.428 245 HG2 LYS 31 HG2 LYS 31 10.594 -7.989 11.703 246 HG3 LYS 31 HG3 LYS 31 9.288 -9.113 11.322 247 HD2 LYS 31 HD2 LYS 31 11.205 -10.129 13.290 248 HD3 LYS 31 HD3 LYS 31 10.328 -8.689 13.815 249 HE2 LYS 31 HE2 LYS 31 8.930 -10.391 14.514 250 HE3 LYS 31 HE3 LYS 31 8.239 -9.966 12.948 251 HZ1 LYS 31 HZ1 LYS 31 10.169 -11.888 12.460 252 HZ2 LYS 31 HZ2 LYS 31 8.490 -12.073 12.365 253 HZ3 LYS 31 HZ3 LYS 31 9.301 -12.440 13.804 254 H GLN 32 H GLN 32 12.242 -10.400 8.046 255 HA GLN 32 HA GLN 32 14.432 -12.141 8.611 256 HB2 GLN 32 HB2 GLN 32 12.643 -12.660 6.997 257 HB3 GLN 32 HB3 GLN 32 13.225 -11.386 5.934 258 HG2 GLN 32 HG2 GLN 32 15.468 -12.914 6.343 259 HG3 GLN 32 HG3 GLN 32 14.175 -14.110 6.284 260 HE21 GLN 32 HE21 GLN 32 14.782 -11.051 4.590 261 HE22 GLN 32 HE22 GLN 32 14.625 -11.704 2.998 262 H TYR 33 H TYR 33 14.190 -9.117 6.748 263 HA TYR 33 HA TYR 33 16.895 -9.214 5.770 264 HB2 TYR 33 HB2 TYR 33 15.295 -7.826 4.640 265 HB3 TYR 33 HB3 TYR 33 14.924 -6.940 6.115 266 HD1 TYR 33 HD1 TYR 33 16.505 -5.282 7.000 267 HD2 TYR 33 HD2 TYR 33 17.241 -7.300 3.327 268 HE1 TYR 33 HE1 TYR 33 18.210 -3.604 6.426 269 HE2 TYR 33 HE2 TYR 33 18.949 -5.629 2.744 270 HH TYR 33 HH TYR 33 20.502 -3.993 4.214 271 H ALA 34 H ALA 34 15.411 -8.156 8.757 272 HA ALA 34 HA ALA 34 17.660 -6.544 9.631 273 HB1 ALA 34 HB1 ALA 34 15.129 -6.643 10.421 274 HB2 ALA 34 HB2 ALA 34 15.794 -7.774 11.600 275 HB3 ALA 34 HB3 ALA 34 16.423 -6.129 11.504 276 H ASN 35 H ASN 35 16.390 -9.715 10.762 277 HA ASN 35 HA ASN 35 18.557 -10.343 12.441 278 HB2 ASN 35 HB2 ASN 35 16.534 -11.649 12.506 279 HB3 ASN 35 HB3 ASN 35 16.734 -12.150 10.829 280 HD21 ASN 35 HD21 ASN 35 16.698 -14.322 11.345 281 HD22 ASN 35 HD22 ASN 35 18.011 -15.107 12.147 282 H ASP 36 H ASP 36 18.307 -10.423 8.963 283 HA ASP 36 HA ASP 36 20.600 -12.175 8.579 284 HB2 ASP 36 HB2 ASP 36 18.658 -10.757 6.913 285 HB3 ASP 36 HB3 ASP 36 20.285 -10.708 6.238 286 H ASN 37 H ASN 37 20.102 -8.800 9.192 287 HA ASN 37 HA ASN 37 22.992 -8.316 8.580 288 HB2 ASN 37 HB2 ASN 37 20.958 -7.020 7.389 289 HB3 ASN 37 HB3 ASN 37 21.115 -6.013 8.826 290 HD21 ASN 37 HD21 ASN 37 23.472 -5.450 9.337 291 HD22 ASN 37 HD22 ASN 37 24.422 -4.924 7.993 292 H GLY 38 H GLY 38 21.644 -9.376 11.046 293 HA2 GLY 38 HA2 GLY 38 22.153 -9.135 13.305 294 HA3 GLY 38 HA3 GLY 38 23.123 -7.721 12.917 295 H VAL 39 H VAL 39 22.140 -7.061 15.043 296 HA VAL 39 HA VAL 39 20.755 -5.576 16.122 297 HB VAL 39 HB VAL 39 19.388 -5.063 13.472 298 HG11 VAL 39 HG11 VAL 39 18.483 -4.222 15.753 299 HG12 VAL 39 HG12 VAL 39 19.821 -3.075 15.665 300 HG13 VAL 39 HG13 VAL 39 18.592 -3.097 14.400 301 HG21 VAL 39 HG21 VAL 39 21.924 -3.877 14.587 302 HG22 VAL 39 HG22 VAL 39 21.730 -4.774 13.081 303 HG23 VAL 39 HG23 VAL 39 21.010 -3.173 13.253 304 H ASP 40 H ASP 40 19.016 -5.878 17.380 305 HA ASP 40 HA ASP 40 16.551 -7.012 16.390 306 HB2 ASP 40 HB2 ASP 40 18.207 -9.007 16.585 307 HB3 ASP 40 HB3 ASP 40 17.992 -8.821 18.323 308 H GLY 41 H GLY 41 15.144 -5.836 17.493 309 HA2 GLY 41 HA2 GLY 41 15.361 -5.818 20.441 310 HA3 GLY 41 HA3 GLY 41 15.411 -4.256 19.637 311 H VAL 42 H VAL 42 13.549 -3.219 19.678 312 HA VAL 42 HA VAL 42 11.064 -4.785 19.995 313 HB VAL 42 HB VAL 42 11.371 -1.776 19.882 314 HG11 VAL 42 HG11 VAL 42 9.111 -2.300 19.598 315 HG12 VAL 42 HG12 VAL 42 9.184 -3.643 20.740 316 HG13 VAL 42 HG13 VAL 42 9.263 -1.980 21.325 317 HG21 VAL 42 HG21 VAL 42 11.324 -1.888 22.366 318 HG22 VAL 42 HG22 VAL 42 11.515 -3.638 22.250 319 HG23 VAL 42 HG23 VAL 42 12.786 -2.570 21.654 320 H TRP 43 H TRP 43 9.191 -4.451 18.682 321 HA TRP 43 HA TRP 43 9.845 -3.445 15.943 322 HB2 TRP 43 HB2 TRP 43 8.538 -6.027 16.776 323 HB3 TRP 43 HB3 TRP 43 8.167 -5.303 15.214 324 HD1 TRP 43 HD1 TRP 43 10.882 -7.195 17.063 325 HE1 TRP 43 HE1 TRP 43 12.752 -7.818 15.408 326 HE3 TRP 43 HE3 TRP 43 9.345 -4.454 13.030 327 HZ2 TRP 43 HZ2 TRP 43 13.480 -7.226 12.746 328 HZ3 TRP 43 HZ3 TRP 43 10.685 -4.537 10.968 329 HH2 TRP 43 HH2 TRP 43 12.709 -5.894 10.831 330 H THR 44 H THR 44 8.836 -1.474 16.293 331 HA THR 44 HA THR 44 5.942 -1.588 16.992 332 HB THR 44 HB THR 44 6.423 1.052 16.852 333 HG1 THR 44 HG1 THR 44 8.913 -0.068 17.677 334 HG21 THR 44 HG21 THR 44 6.086 -0.856 18.869 335 HG22 THR 44 HG22 THR 44 5.930 0.894 19.023 336 HG23 THR 44 HG23 THR 44 7.472 0.112 19.371 337 H TYR 45 H TYR 45 4.630 -1.825 15.311 338 HA TYR 45 HA TYR 45 5.263 -0.229 12.858 339 HB2 TYR 45 HB2 TYR 45 5.034 -2.060 11.583 340 HB3 TYR 45 HB3 TYR 45 5.064 -3.009 13.065 341 HD1 TYR 45 HD2 TYR 45 2.880 -1.485 10.519 342 HD2 TYR 45 HD1 TYR 45 3.077 -4.043 13.914 343 HE1 TYR 45 HE2 TYR 45 0.593 -2.264 10.059 344 HE2 TYR 45 HE1 TYR 45 0.791 -4.829 13.462 345 HH TYR 45 HH TYR 45 -0.696 -4.940 11.167 346 H ASP 46 H ASP 46 3.674 0.981 11.966 347 HA ASP 46 HA ASP 46 1.091 1.005 13.470 348 HB2 ASP 46 HB2 ASP 46 2.430 3.091 13.578 349 HB3 ASP 46 HB3 ASP 46 2.364 3.212 11.822 350 H ASP 47 H ASP 47 -0.756 0.544 12.466 351 HA ASP 47 HA ASP 47 -0.619 -0.281 9.659 352 HB2 ASP 47 HB2 ASP 47 -2.703 -1.276 10.011 353 HB3 ASP 47 HB3 ASP 47 -1.963 -1.372 11.606 354 H ALA 48 H ALA 48 -0.851 2.658 11.075 355 HA ALA 48 HA ALA 48 -2.914 3.703 9.210 356 HB1 ALA 48 HB1 ALA 48 -2.079 4.394 11.830 357 HB2 ALA 48 HB2 ALA 48 -1.709 5.762 10.779 358 HB3 ALA 48 HB3 ALA 48 -3.353 5.128 10.856 359 H THR 49 H THR 49 0.318 4.820 10.318 360 HA THR 49 HA THR 49 0.740 5.936 7.593 361 HB THR 49 HB THR 49 1.081 7.472 9.481 362 HG1 THR 49 HG1 THR 49 2.571 7.260 7.474 363 HG21 THR 49 HG21 THR 49 2.619 5.224 10.522 364 HG22 THR 49 HG22 THR 49 1.907 6.596 11.371 365 HG23 THR 49 HG23 THR 49 3.491 6.754 10.613 366 H LYS 50 H LYS 50 0.891 3.083 8.038 367 HA LYS 50 HA LYS 50 2.516 1.343 8.104 368 HB2 LYS 50 HB2 LYS 50 3.696 1.516 5.772 369 HB3 LYS 50 HB3 LYS 50 1.950 1.322 5.858 370 HG2 LYS 50 HG2 LYS 50 2.856 4.107 5.845 371 HG3 LYS 50 HG3 LYS 50 3.242 3.199 4.381 372 HD2 LYS 50 HD2 LYS 50 1.116 3.233 3.705 373 HD3 LYS 50 HD3 LYS 50 0.538 2.678 5.278 374 HE2 LYS 50 HE2 LYS 50 -0.379 4.710 5.459 375 HE3 LYS 50 HE3 LYS 50 1.259 5.268 5.797 376 HZ1 LYS 50 HZ1 LYS 50 1.466 5.532 3.299 377 HZ2 LYS 50 HZ2 LYS 50 0.478 6.647 4.100 378 HZ3 LYS 50 HZ3 LYS 50 -0.217 5.370 3.236 379 H THR 51 H THR 51 3.666 2.614 9.950 380 HA THR 51 HA THR 51 6.433 3.247 8.998 381 HB THR 51 HB THR 51 5.022 4.258 11.486 382 HG1 THR 51 HG1 THR 51 5.488 6.311 10.239 383 HG21 THR 51 HG21 THR 51 7.821 4.626 10.444 384 HG22 THR 51 HG22 THR 51 7.310 4.075 12.039 385 HG23 THR 51 HG23 THR 51 7.079 5.760 11.572 386 H PHE 52 H PHE 52 7.753 1.597 9.344 387 HA PHE 52 HA PHE 52 7.285 -0.084 11.761 388 HB2 PHE 52 HB2 PHE 52 8.586 -0.568 9.098 389 HB3 PHE 52 HB3 PHE 52 9.064 -1.544 10.483 390 HD1 PHE 52 HD1 PHE 52 5.924 -0.332 8.868 391 HD2 PHE 52 HD2 PHE 52 7.982 -3.541 10.761 392 HE1 PHE 52 HE1 PHE 52 3.976 -1.791 8.505 393 HE2 PHE 52 HE2 PHE 52 6.038 -5.005 10.400 394 HZ PHE 52 HZ PHE 52 4.032 -4.131 9.270 395 H THR 53 H THR 53 8.428 0.439 13.487 396 HA THR 53 HA THR 53 11.145 1.605 13.055 397 HB THR 53 HB THR 53 9.771 1.662 15.720 398 HG1 THR 53 HG1 THR 53 9.101 3.210 13.441 399 HG21 THR 53 HG21 THR 53 11.011 4.102 14.907 400 HG22 THR 53 HG22 THR 53 12.109 2.764 14.566 401 HG23 THR 53 HG23 THR 53 11.485 2.999 16.198 402 H VAL 54 H VAL 54 12.940 0.709 13.938 403 HA VAL 54 HA VAL 54 12.529 -1.741 15.602 404 HB VAL 54 HB VAL 54 14.430 -1.418 13.267 405 HG11 VAL 54 HG11 VAL 54 15.803 -2.634 14.595 406 HG12 VAL 54 HG12 VAL 54 14.482 -3.235 15.599 407 HG13 VAL 54 HG13 VAL 54 14.793 -3.961 14.022 408 HG21 VAL 54 HG21 VAL 54 13.234 -3.556 12.565 409 HG22 VAL 54 HG22 VAL 54 12.038 -3.160 13.799 410 HG23 VAL 54 HG23 VAL 54 12.317 -2.054 12.453 411 H THR 55 H THR 55 13.091 -0.821 17.527 412 HA THR 55 HA THR 55 15.710 0.587 17.652 413 HB THR 55 HB THR 55 13.596 0.300 19.808 414 HG1 THR 55 HG1 THR 55 12.737 1.574 18.202 415 HG21 THR 55 HG21 THR 55 15.993 2.128 19.600 416 HG22 THR 55 HG22 THR 55 15.853 0.731 20.667 417 HG23 THR 55 HG23 THR 55 14.801 2.127 20.899 418 H GLU 56 H GLU 56 17.477 -0.398 18.352 419 HA GLU 56 HA GLU 56 17.206 -3.097 19.514 420 HB2 GLU 56 HB2 GLU 56 18.937 -2.144 17.704 421 HB3 GLU 56 HB3 GLU 56 19.867 -1.803 19.156 422 HG2 GLU 56 HG2 GLU 56 18.759 -4.484 19.156 423 HG3 GLU 56 HG3 GLU 56 19.807 -4.180 17.771 Start of MODEL 51 1 H1 MET 1 H MET 1 -0.195 1.209 -0.768 2 HA MET 1 HA MET 1 0.931 -0.410 0.456 3 HB2 MET 1 HB2 MET 1 1.636 -1.270 -2.351 4 HB3 MET 1 HB3 MET 1 1.415 -2.303 -0.946 5 HG2 MET 1 HG2 MET 1 -0.974 -1.500 -0.884 6 HG3 MET 1 HG3 MET 1 -0.675 -0.773 -2.461 7 HE1 MET 1 HE1 MET 1 -2.756 -1.924 -2.864 8 HE2 MET 1 HE2 MET 1 -2.249 -2.701 -4.363 9 HE3 MET 1 HE3 MET 1 -3.007 -3.655 -3.087 10 H GLN 2 H GLN 2 2.566 0.895 1.433 11 HA GLN 2 HA GLN 2 5.239 -0.006 0.656 12 HB2 GLN 2 HB2 GLN 2 4.526 2.228 -0.617 13 HB3 GLN 2 HB3 GLN 2 5.009 2.961 0.906 14 HG2 GLN 2 HG2 GLN 2 7.214 2.363 0.657 15 HG3 GLN 2 HG3 GLN 2 6.838 1.027 -0.431 16 HE21 GLN 2 HE21 GLN 2 5.906 1.690 -2.562 17 HE22 GLN 2 HE22 GLN 2 6.581 3.088 -3.319 18 H TYR 3 H TYR 3 6.526 -0.226 2.385 19 HA TYR 3 HA TYR 3 5.668 1.176 4.884 20 HB2 TYR 3 HB2 TYR 3 6.593 -1.694 4.565 21 HB3 TYR 3 HB3 TYR 3 6.412 -0.881 6.116 22 HD1 TYR 3 HD1 TYR 3 4.461 -1.678 3.034 23 HD2 TYR 3 HD2 TYR 3 4.395 -1.054 7.242 24 HE1 TYR 3 HE1 TYR 3 2.088 -2.323 3.086 25 HE2 TYR 3 HE2 TYR 3 2.023 -1.699 7.306 26 HH TYR 3 HH TYR 3 0.154 -1.979 5.975 27 H LYS 4 H LYS 4 7.316 1.631 6.419 28 HA LYS 4 HA LYS 4 10.043 1.662 5.184 29 HB2 LYS 4 HB2 LYS 4 9.207 3.911 5.341 30 HB3 LYS 4 HB3 LYS 4 8.685 3.667 7.003 31 HG2 LYS 4 HG2 LYS 4 10.682 4.980 7.008 32 HG3 LYS 4 HG3 LYS 4 11.059 3.382 7.656 33 HD2 LYS 4 HD2 LYS 4 12.824 3.714 6.213 34 HD3 LYS 4 HD3 LYS 4 11.690 2.847 5.176 35 HE2 LYS 4 HE2 LYS 4 11.315 4.646 3.862 36 HE3 LYS 4 HE3 LYS 4 11.410 5.780 5.208 37 HZ1 LYS 4 HZ1 LYS 4 13.233 5.977 3.548 38 HZ2 LYS 4 HZ2 LYS 4 13.779 4.448 4.021 39 HZ3 LYS 4 HZ3 LYS 4 13.768 5.722 5.133 40 H LEU 5 H LEU 5 11.842 1.295 6.509 41 HA LEU 5 HA LEU 5 11.173 0.141 9.186 42 HB2 LEU 5 HB2 LEU 5 11.643 -1.755 7.934 43 HB3 LEU 5 HB3 LEU 5 12.872 -0.942 6.967 44 HG LEU 5 HG LEU 5 14.462 -1.079 8.746 45 HD11 LEU 5 HD11 LEU 5 13.440 -0.709 10.751 46 HD12 LEU 5 HD12 LEU 5 13.617 -2.462 10.829 47 HD13 LEU 5 HD13 LEU 5 12.068 -1.751 10.374 48 HD21 LEU 5 HD21 LEU 5 13.898 -3.131 7.320 49 HD22 LEU 5 HD22 LEU 5 13.113 -3.759 8.770 50 HD23 LEU 5 HD23 LEU 5 14.837 -3.384 8.791 51 H VAL 6 H VAL 6 11.833 1.769 10.484 52 HA VAL 6 HA VAL 6 14.493 2.982 9.977 53 HB VAL 6 HB VAL 6 12.371 3.671 12.028 54 HG11 VAL 6 HG11 VAL 6 15.148 4.482 11.728 55 HG12 VAL 6 HG12 VAL 6 14.032 5.849 11.730 56 HG13 VAL 6 HG13 VAL 6 14.041 4.714 13.081 57 HG21 VAL 6 HG21 VAL 6 13.122 4.919 9.391 58 HG22 VAL 6 HG22 VAL 6 11.575 4.201 9.840 59 HG23 VAL 6 HG23 VAL 6 12.100 5.706 10.594 60 H ILE 7 H ILE 7 16.120 1.738 10.676 61 HA ILE 7 HA ILE 7 15.818 0.276 13.230 62 HB ILE 7 HB ILE 7 18.126 0.329 11.269 63 HG12 ILE 7 HG12 ILE 7 16.171 -1.920 11.716 64 HG13 ILE 7 HG13 ILE 7 15.869 -0.656 10.528 65 HG21 ILE 7 HG21 ILE 7 18.788 -1.763 12.498 66 HG22 ILE 7 HG22 ILE 7 18.969 -0.263 13.406 67 HG23 ILE 7 HG23 ILE 7 17.599 -1.327 13.726 68 HD11 ILE 7 HD11 ILE 7 18.518 -1.821 10.285 69 HD12 ILE 7 HD12 ILE 7 17.219 -2.998 10.088 70 HD13 ILE 7 HD13 ILE 7 17.272 -1.563 9.064 71 H ASN 8 H ASN 8 16.872 0.717 15.094 72 HA ASN 8 HA ASN 8 18.634 3.135 15.058 73 HB2 ASN 8 HB2 ASN 8 16.270 2.483 16.677 74 HB3 ASN 8 HB3 ASN 8 17.661 2.977 17.638 75 HD21 ASN 8 HD21 ASN 8 18.859 4.907 16.455 76 HD22 ASN 8 HD22 ASN 8 17.816 6.227 16.061 77 H GLY 9 H GLY 9 20.281 1.390 14.649 78 HA2 GLY 9 HA2 GLY 9 20.909 -0.226 17.040 79 HA3 GLY 9 HA3 GLY 9 21.715 -0.303 15.480 80 H LYS 10 H LYS 10 23.182 -0.354 17.798 81 HA LYS 10 HA LYS 10 24.069 2.339 18.474 82 HB2 LYS 10 HB2 LYS 10 24.837 -0.450 19.221 83 HB3 LYS 10 HB3 LYS 10 26.025 0.822 19.475 84 HG2 LYS 10 HG2 LYS 10 24.115 2.057 20.687 85 HG3 LYS 10 HG3 LYS 10 23.337 0.474 20.740 86 HD2 LYS 10 HD2 LYS 10 24.503 0.605 22.763 87 HD3 LYS 10 HD3 LYS 10 25.551 -0.366 21.726 88 HE2 LYS 10 HE2 LYS 10 26.204 2.373 21.340 89 HE3 LYS 10 HE3 LYS 10 26.142 2.063 23.074 90 HZ1 LYS 10 HZ1 LYS 10 28.280 1.472 22.619 91 HZ2 LYS 10 HZ2 LYS 10 27.938 0.945 21.049 92 HZ3 LYS 10 HZ3 LYS 10 27.532 -0.025 22.373 93 H THR 11 H THR 11 24.824 -0.010 16.050 94 HA THR 11 HA THR 11 27.185 1.653 15.259 95 HB THR 11 HB THR 11 28.224 -0.329 14.302 96 HG1 THR 11 HG1 THR 11 27.222 -2.250 14.222 97 HG21 THR 11 HG21 THR 11 28.185 0.257 16.910 98 HG22 THR 11 HG22 THR 11 29.075 -1.121 16.261 99 HG23 THR 11 HG23 THR 11 27.484 -1.359 16.983 100 H LEU 12 H LEU 12 24.715 -0.650 14.036 101 HA LEU 12 HA LEU 12 24.968 0.507 11.341 102 HB2 LEU 12 HB2 LEU 12 24.606 -1.957 11.894 103 HB3 LEU 12 HB3 LEU 12 22.942 -1.518 12.276 104 HG LEU 12 HG LEU 12 22.571 -0.815 9.985 105 HD11 LEU 12 HD11 LEU 12 25.500 -1.088 9.842 106 HD12 LEU 12 HD12 LEU 12 24.414 0.005 8.984 107 HD13 LEU 12 HD13 LEU 12 24.602 -1.661 8.436 108 HD21 LEU 12 HD21 LEU 12 23.190 -3.107 8.882 109 HD22 LEU 12 HD22 LEU 12 21.987 -3.029 10.169 110 HD23 LEU 12 HD23 LEU 12 23.634 -3.547 10.531 111 H LYS 13 H LYS 13 23.604 1.890 10.370 112 HA LYS 13 HA LYS 13 20.959 2.406 11.554 113 HB2 LYS 13 HB2 LYS 13 23.257 4.286 11.779 114 HB3 LYS 13 HB3 LYS 13 21.704 4.984 11.339 115 HG2 LYS 13 HG2 LYS 13 20.942 4.819 13.418 116 HG3 LYS 13 HG3 LYS 13 21.460 3.138 13.554 117 HD2 LYS 13 HD2 LYS 13 23.293 3.696 14.707 118 HD3 LYS 13 HD3 LYS 13 23.691 5.005 13.593 119 HE2 LYS 13 HE2 LYS 13 23.304 5.916 15.792 120 HE3 LYS 13 HE3 LYS 13 22.004 6.421 14.713 121 HZ1 LYS 13 HZ1 LYS 13 20.606 5.616 16.213 122 HZ2 LYS 13 HZ2 LYS 13 21.853 4.918 17.117 123 HZ3 LYS 13 HZ3 LYS 13 21.153 4.059 15.839 124 H GLY 14 H GLY 14 20.180 1.615 9.576 125 HA2 GLY 14 HA2 GLY 14 20.534 3.578 7.349 126 HA3 GLY 14 HA3 GLY 14 20.592 1.847 7.051 127 H GLU 15 H GLU 15 18.855 2.850 5.504 128 HA GLU 15 HA GLU 15 16.235 2.571 6.923 129 HB2 GLU 15 HB2 GLU 15 17.173 4.516 4.876 130 HB3 GLU 15 HB3 GLU 15 15.529 3.918 4.702 131 HG2 GLU 15 HG2 GLU 15 14.807 4.928 6.617 132 HG3 GLU 15 HG3 GLU 15 16.401 4.894 7.368 133 H THR 16 H THR 16 14.810 1.117 6.171 134 HA THR 16 HA THR 16 15.506 -0.227 3.589 135 HB THR 16 HB THR 16 14.084 -1.824 5.650 136 HG1 THR 16 HG1 THR 16 15.823 -0.713 6.796 137 HG21 THR 16 HG21 THR 16 14.774 -2.617 3.358 138 HG22 THR 16 HG22 THR 16 15.325 -3.622 4.699 139 HG23 THR 16 HG23 THR 16 16.446 -2.514 3.909 140 H THR 17 H THR 17 14.023 0.578 2.221 141 HA THR 17 HA THR 17 11.191 0.657 3.151 142 HB THR 17 HB THR 17 10.740 2.236 1.481 143 HG1 THR 17 HG1 THR 17 11.563 1.870 -0.427 144 HG21 THR 17 HG21 THR 17 12.049 3.981 2.119 145 HG22 THR 17 HG22 THR 17 13.550 3.107 1.815 146 HG23 THR 17 HG23 THR 17 12.636 2.803 3.292 147 H THR 18 H THR 18 9.574 -0.461 2.156 148 HA THR 18 HA THR 18 10.083 -1.907 -0.335 149 HB THR 18 HB THR 18 11.123 -3.395 1.389 150 HG1 THR 18 HG1 THR 18 10.337 -5.138 0.369 151 HG21 THR 18 HG21 THR 18 8.642 -4.449 2.426 152 HG22 THR 18 HG22 THR 18 8.847 -2.756 2.874 153 HG23 THR 18 HG23 THR 18 10.090 -3.935 3.291 154 H LYS 19 H LYS 19 8.137 -3.482 -0.742 155 HA LYS 19 HA LYS 19 5.680 -2.037 0.172 156 HB2 LYS 19 HB2 LYS 19 4.734 -2.280 -1.956 157 HB3 LYS 19 HB3 LYS 19 6.408 -1.867 -2.299 158 HG2 LYS 19 HG2 LYS 19 6.464 -4.611 -2.197 159 HG3 LYS 19 HG3 LYS 19 4.905 -4.268 -2.950 160 HD2 LYS 19 HD2 LYS 19 7.381 -2.867 -3.883 161 HD3 LYS 19 HD3 LYS 19 7.015 -4.501 -4.443 162 HE2 LYS 19 HE2 LYS 19 5.089 -2.192 -4.640 163 HE3 LYS 19 HE3 LYS 19 6.199 -2.650 -5.931 164 HZ1 LYS 19 HZ1 LYS 19 4.833 -4.258 -6.563 165 HZ2 LYS 19 HZ2 LYS 19 3.685 -3.672 -5.468 166 HZ3 LYS 19 HZ3 LYS 19 4.747 -4.904 -5.001 167 H ALA 20 H ALA 20 3.801 -3.239 0.575 168 HA ALA 20 HA ALA 20 3.829 -6.138 0.333 169 HB1 ALA 20 HB1 ALA 20 3.409 -6.177 2.988 170 HB2 ALA 20 HB2 ALA 20 4.989 -6.446 2.252 171 HB3 ALA 20 HB3 ALA 20 4.575 -4.857 2.895 172 H VAL 21 H VAL 21 1.811 -7.072 0.657 173 HA VAL 21 HA VAL 21 -0.423 -5.363 0.230 174 HB VAL 21 HB VAL 21 -0.539 -8.172 1.351 175 HG11 VAL 21 HG11 VAL 21 -2.721 -8.242 0.690 176 HG12 VAL 21 HG12 VAL 21 -2.588 -6.520 1.054 177 HG13 VAL 21 HG13 VAL 21 -2.479 -7.081 -0.615 178 HG21 VAL 21 HG21 VAL 21 -0.032 -7.199 -1.444 179 HG22 VAL 21 HG22 VAL 21 0.870 -8.394 -0.511 180 HG23 VAL 21 HG23 VAL 21 -0.737 -8.784 -1.124 181 H ASP 22 H ASP 22 0.703 -7.070 3.165 182 HA ASP 22 HA ASP 22 -0.589 -5.009 4.812 183 HB2 ASP 22 HB2 ASP 22 -1.866 -6.649 6.160 184 HB3 ASP 22 HB3 ASP 22 -2.442 -6.567 4.498 185 H ALA 23 H ALA 23 -0.108 -5.317 7.153 186 HA ALA 23 HA ALA 23 2.651 -5.677 7.559 187 HB1 ALA 23 HB1 ALA 23 0.463 -4.883 9.090 188 HB2 ALA 23 HB2 ALA 23 1.142 -6.258 9.962 189 HB3 ALA 23 HB3 ALA 23 2.159 -4.870 9.575 190 H GLU 24 H GLU 24 0.065 -8.021 7.491 191 HA GLU 24 HA GLU 24 1.117 -10.106 9.020 192 HB2 GLU 24 HB2 GLU 24 -0.256 -10.379 6.330 193 HB3 GLU 24 HB3 GLU 24 -0.143 -11.619 7.572 194 HG2 GLU 24 HG2 GLU 24 -1.310 -9.751 9.032 195 HG3 GLU 24 HG3 GLU 24 -1.855 -9.202 7.449 196 H THR 25 H THR 25 1.821 -9.310 5.605 197 HA THR 25 HA THR 25 3.929 -11.391 5.576 198 HB THR 25 HB THR 25 2.464 -11.205 3.614 199 HG1 THR 25 HG1 THR 25 4.110 -11.427 2.195 200 HG21 THR 25 HG21 THR 25 2.548 -9.265 2.148 201 HG22 THR 25 HG22 THR 25 3.668 -8.459 3.246 202 HG23 THR 25 HG23 THR 25 2.012 -8.785 3.757 203 H ALA 26 H ALA 26 3.523 -7.877 5.517 204 HA ALA 26 HA ALA 26 6.196 -7.186 4.837 205 HB1 ALA 26 HB1 ALA 26 4.646 -5.518 6.771 206 HB2 ALA 26 HB2 ALA 26 5.613 -5.031 5.378 207 HB3 ALA 26 HB3 ALA 26 4.018 -5.744 5.138 208 H GLU 27 H GLU 27 4.657 -7.348 8.084 209 HA GLU 27 HA GLU 27 6.939 -6.829 9.611 210 HB2 GLU 27 HB2 GLU 27 4.794 -6.971 10.666 211 HB3 GLU 27 HB3 GLU 27 4.580 -8.641 10.162 212 HG2 GLU 27 HG2 GLU 27 6.058 -9.449 11.747 213 HG3 GLU 27 HG3 GLU 27 6.853 -7.888 11.946 214 H LYS 28 H LYS 28 6.018 -9.762 7.915 215 HA LYS 28 HA LYS 28 8.025 -11.406 9.257 216 HB2 LYS 28 HB2 LYS 28 5.795 -11.829 7.537 217 HB3 LYS 28 HB3 LYS 28 7.206 -12.514 6.741 218 HG2 LYS 28 HG2 LYS 28 7.369 -14.198 8.206 219 HG3 LYS 28 HG3 LYS 28 6.989 -13.167 9.588 220 HD2 LYS 28 HD2 LYS 28 4.748 -13.555 9.434 221 HD3 LYS 28 HD3 LYS 28 4.793 -13.757 7.681 222 HE2 LYS 28 HE2 LYS 28 5.224 -15.975 7.816 223 HE3 LYS 28 HE3 LYS 28 6.218 -15.803 9.261 224 HZ1 LYS 28 HZ1 LYS 28 4.440 -16.795 10.199 225 HZ2 LYS 28 HZ2 LYS 28 3.353 -16.254 9.021 226 HZ3 LYS 28 HZ3 LYS 28 3.842 -15.213 10.262 227 H ALA 29 H ALA 29 7.690 -9.753 6.115 228 HA ALA 29 HA ALA 29 10.157 -10.725 5.026 229 HB1 ALA 29 HB1 ALA 29 9.909 -8.647 3.542 230 HB2 ALA 29 HB2 ALA 29 8.623 -9.854 3.486 231 HB3 ALA 29 HB3 ALA 29 8.397 -8.365 4.405 232 H PHE 30 H PHE 30 9.302 -7.670 6.694 233 HA PHE 30 HA PHE 30 11.891 -6.510 6.542 234 HB2 PHE 30 HB2 PHE 30 9.431 -6.085 8.143 235 HB3 PHE 30 HB3 PHE 30 10.918 -5.466 8.852 236 HD1 PHE 30 HD2 PHE 30 12.431 -4.522 6.583 237 HD2 PHE 30 HD1 PHE 30 8.246 -4.291 7.325 238 HE1 PHE 30 HE2 PHE 30 12.288 -2.532 5.144 239 HE2 PHE 30 HE1 PHE 30 8.096 -2.302 5.886 240 HZ PHE 30 HZ PHE 30 10.119 -1.418 4.794 241 H LYS 31 H LYS 31 10.648 -9.092 8.475 242 HA LYS 31 HA LYS 31 12.560 -8.849 10.638 243 HB2 LYS 31 HB2 LYS 31 10.285 -10.153 10.493 244 HB3 LYS 31 HB3 LYS 31 11.282 -11.452 9.851 245 HG2 LYS 31 HG2 LYS 31 11.834 -12.042 11.906 246 HG3 LYS 31 HG3 LYS 31 12.561 -10.456 12.172 247 HD2 LYS 31 HD2 LYS 31 10.884 -10.909 13.869 248 HD3 LYS 31 HD3 LYS 31 10.360 -9.578 12.834 249 HE2 LYS 31 HE2 LYS 31 8.562 -11.213 13.350 250 HE3 LYS 31 HE3 LYS 31 8.877 -11.026 11.626 251 HZ1 LYS 31 HZ1 LYS 31 10.122 -13.187 13.217 252 HZ2 LYS 31 HZ2 LYS 31 9.965 -13.079 11.536 253 HZ3 LYS 31 HZ3 LYS 31 8.603 -13.371 12.495 254 H GLN 32 H GLN 32 12.912 -9.645 7.407 255 HA GLN 32 HA GLN 32 15.029 -11.655 7.857 256 HB2 GLN 32 HB2 GLN 32 13.248 -11.393 5.859 257 HB3 GLN 32 HB3 GLN 32 14.571 -10.465 5.168 258 HG2 GLN 32 HG2 GLN 32 15.567 -12.920 6.256 259 HG3 GLN 32 HG3 GLN 32 14.226 -13.242 5.158 260 HE21 GLN 32 HE21 GLN 32 16.980 -10.999 5.273 261 HE22 GLN 32 HE22 GLN 32 17.515 -11.306 3.659 262 H TYR 33 H TYR 33 14.663 -8.247 7.460 263 HA TYR 33 HA TYR 33 17.329 -7.765 6.406 264 HB2 TYR 33 HB2 TYR 33 15.302 -6.228 6.211 265 HB3 TYR 33 HB3 TYR 33 15.584 -5.788 7.891 266 HD1 TYR 33 HD2 TYR 33 17.320 -5.929 4.593 267 HD2 TYR 33 HD1 TYR 33 17.012 -4.023 8.385 268 HE1 TYR 33 HE2 TYR 33 18.950 -4.235 3.868 269 HE2 TYR 33 HE1 TYR 33 18.640 -2.324 7.670 270 HH TYR 33 HH TYR 33 19.616 -1.397 5.765 271 H ALA 34 H ALA 34 15.885 -6.766 9.539 272 HA ALA 34 HA ALA 34 18.254 -6.158 10.860 273 HB1 ALA 34 HB1 ALA 34 16.992 -6.799 12.965 274 HB2 ALA 34 HB2 ALA 34 16.200 -5.633 11.905 275 HB3 ALA 34 HB3 ALA 34 15.677 -7.317 11.911 276 H ASN 35 H ASN 35 16.649 -9.346 10.627 277 HA ASN 35 HA ASN 35 18.358 -10.788 12.324 278 HB2 ASN 35 HB2 ASN 35 16.451 -11.387 10.205 279 HB3 ASN 35 HB3 ASN 35 17.788 -12.533 10.211 280 HD21 ASN 35 HD21 ASN 35 16.275 -14.138 10.839 281 HD22 ASN 35 HD22 ASN 35 15.758 -14.265 12.483 282 H ASP 36 H ASP 36 18.751 -9.949 8.885 283 HA ASP 36 HA ASP 36 21.334 -11.357 8.779 284 HB2 ASP 36 HB2 ASP 36 19.887 -9.637 6.740 285 HB3 ASP 36 HB3 ASP 36 21.384 -10.514 6.437 286 H ASN 37 H ASN 37 20.263 -8.423 9.944 287 HA ASN 37 HA ASN 37 22.877 -7.113 9.317 288 HB2 ASN 37 HB2 ASN 37 20.127 -6.010 9.870 289 HB3 ASN 37 HB3 ASN 37 21.559 -5.019 10.134 290 HD21 ASN 37 HD21 ASN 37 19.256 -5.930 7.936 291 HD22 ASN 37 HD22 ASN 37 20.044 -5.424 6.484 292 H GLY 38 H GLY 38 21.965 -9.109 11.495 293 HA2 GLY 38 HA2 GLY 38 22.351 -9.393 13.761 294 HA3 GLY 38 HA3 GLY 38 23.664 -8.246 13.540 295 H VAL 39 H VAL 39 20.123 -7.836 13.331 296 HA VAL 39 HA VAL 39 20.362 -5.888 15.591 297 HB VAL 39 HB VAL 39 18.624 -5.615 13.123 298 HG11 VAL 39 HG11 VAL 39 18.892 -3.859 15.560 299 HG12 VAL 39 HG12 VAL 39 18.035 -3.410 14.084 300 HG13 VAL 39 HG13 VAL 39 17.464 -4.765 15.059 301 HG21 VAL 39 HG21 VAL 39 21.278 -4.600 13.858 302 HG22 VAL 39 HG22 VAL 39 20.536 -4.794 12.270 303 HG23 VAL 39 HG23 VAL 39 20.160 -3.378 13.252 304 H ASP 40 H ASP 40 18.714 -5.823 17.082 305 HA ASP 40 HA ASP 40 16.290 -7.404 16.658 306 HB2 ASP 40 HB2 ASP 40 18.204 -8.996 17.429 307 HB3 ASP 40 HB3 ASP 40 17.990 -8.234 19.002 308 H GLY 41 H GLY 41 14.660 -6.391 17.615 309 HA2 GLY 41 HA2 GLY 41 14.951 -5.236 20.266 310 HA3 GLY 41 HA3 GLY 41 14.871 -4.012 19.008 311 H VAL 42 H VAL 42 12.922 -3.142 19.656 312 HA VAL 42 HA VAL 42 10.594 -4.998 19.661 313 HB VAL 42 HB VAL 42 9.341 -3.049 20.573 314 HG11 VAL 42 HG11 VAL 42 10.092 -3.332 22.756 315 HG12 VAL 42 HG12 VAL 42 10.659 -4.792 21.943 316 HG13 VAL 42 HG13 VAL 42 11.779 -3.468 22.263 317 HG21 VAL 42 HG21 VAL 42 11.467 -1.427 21.472 318 HG22 VAL 42 HG22 VAL 42 11.685 -1.643 19.735 319 HG23 VAL 42 HG23 VAL 42 10.167 -0.997 20.360 320 H TRP 43 H TRP 43 9.286 -5.150 17.976 321 HA TRP 43 HA TRP 43 9.605 -3.176 15.790 322 HB2 TRP 43 HB2 TRP 43 8.117 -5.817 15.912 323 HB3 TRP 43 HB3 TRP 43 8.259 -4.803 14.479 324 HD1 TRP 43 HD1 TRP 43 10.190 -7.308 16.574 325 HE1 TRP 43 HE1 TRP 43 12.383 -7.903 15.366 326 HE3 TRP 43 HE3 TRP 43 10.053 -3.793 12.865 327 HZ2 TRP 43 HZ2 TRP 43 13.860 -7.001 13.135 328 HZ3 TRP 43 HZ3 TRP 43 11.895 -3.726 11.234 329 HH2 TRP 43 HH2 TRP 43 13.758 -5.297 11.369 330 H THR 44 H THR 44 8.199 -1.613 15.367 331 HA THR 44 HA THR 44 5.538 -1.775 16.730 332 HB THR 44 HB THR 44 5.628 0.805 16.417 333 HG1 THR 44 HG1 THR 44 8.424 0.326 16.514 334 HG21 THR 44 HG21 THR 44 5.726 -0.397 18.584 335 HG22 THR 44 HG22 THR 44 6.692 1.079 18.574 336 HG23 THR 44 HG23 THR 44 7.479 -0.491 18.420 337 H TYR 45 H TYR 45 3.836 -1.955 15.451 338 HA TYR 45 HA TYR 45 4.180 -1.209 12.584 339 HB2 TYR 45 HB2 TYR 45 3.505 -3.444 12.664 340 HB3 TYR 45 HB3 TYR 45 2.426 -3.181 14.029 341 HD1 TYR 45 HD1 TYR 45 2.833 -2.562 10.396 342 HD2 TYR 45 HD2 TYR 45 0.145 -2.685 13.692 343 HE1 TYR 45 HE1 TYR 45 0.934 -2.359 8.847 344 HE2 TYR 45 HE2 TYR 45 -1.762 -2.484 12.151 345 HH TYR 45 HH TYR 45 -1.410 -2.793 8.741 346 H ASP 46 H ASP 46 2.950 0.297 11.611 347 HA ASP 46 HA ASP 46 0.685 1.437 13.183 348 HB2 ASP 46 HB2 ASP 46 2.799 2.821 13.412 349 HB3 ASP 46 HB3 ASP 46 2.689 3.141 11.683 350 H ASP 47 H ASP 47 -1.069 1.076 12.015 351 HA ASP 47 HA ASP 47 -0.936 0.747 9.131 352 HB2 ASP 47 HB2 ASP 47 -3.345 0.420 9.271 353 HB3 ASP 47 HB3 ASP 47 -2.553 -0.471 10.567 354 H ALA 48 H ALA 48 -0.756 3.445 11.011 355 HA ALA 48 HA ALA 48 -2.486 5.142 9.321 356 HB1 ALA 48 HB1 ALA 48 -0.684 5.807 11.657 357 HB2 ALA 48 HB2 ALA 48 -1.728 6.957 10.821 358 HB3 ALA 48 HB3 ALA 48 -2.435 5.599 11.697 359 H THR 49 H THR 49 0.960 5.247 10.347 360 HA THR 49 HA THR 49 1.550 6.582 7.742 361 HB THR 49 HB THR 49 3.730 7.206 8.880 362 HG1 THR 49 HG1 THR 49 3.958 6.830 11.013 363 HG21 THR 49 HG21 THR 49 1.074 8.193 9.889 364 HG22 THR 49 HG22 THR 49 2.127 8.920 8.676 365 HG23 THR 49 HG23 THR 49 2.596 8.938 10.375 366 H LYS 50 H LYS 50 1.165 3.692 8.079 367 HA LYS 50 HA LYS 50 2.520 1.704 8.051 368 HB2 LYS 50 HB2 LYS 50 3.399 1.688 5.587 369 HB3 LYS 50 HB3 LYS 50 1.670 1.772 5.896 370 HG2 LYS 50 HG2 LYS 50 2.918 4.395 5.741 371 HG3 LYS 50 HG3 LYS 50 3.108 3.447 4.264 372 HD2 LYS 50 HD2 LYS 50 0.992 3.835 3.703 373 HD3 LYS 50 HD3 LYS 50 0.430 3.167 5.238 374 HE2 LYS 50 HE2 LYS 50 -0.327 5.247 5.612 375 HE3 LYS 50 HE3 LYS 50 1.351 5.599 6.022 376 HZ1 LYS 50 HZ1 LYS 50 1.605 6.856 4.210 377 HZ2 LYS 50 HZ2 LYS 50 -0.085 6.896 4.147 378 HZ3 LYS 50 HZ3 LYS 50 0.770 5.780 3.206 379 H THR 51 H THR 51 4.094 2.597 9.713 380 HA THR 51 HA THR 51 6.789 2.571 8.447 381 HB THR 51 HB THR 51 6.089 4.944 9.041 382 HG1 THR 51 HG1 THR 51 8.343 4.034 10.513 383 HG21 THR 51 HG21 THR 51 5.074 4.018 11.287 384 HG22 THR 51 HG22 THR 51 5.800 5.625 11.221 385 HG23 THR 51 HG23 THR 51 6.716 4.270 11.879 386 H PHE 52 H PHE 52 8.438 1.674 9.693 387 HA PHE 52 HA PHE 52 7.480 0.326 12.187 388 HB2 PHE 52 HB2 PHE 52 9.106 -0.705 9.882 389 HB3 PHE 52 HB3 PHE 52 9.361 -1.377 11.489 390 HD1 PHE 52 HD2 PHE 52 6.396 -0.401 9.436 391 HD2 PHE 52 HD1 PHE 52 8.297 -3.371 11.820 392 HE1 PHE 52 HE2 PHE 52 4.465 -1.891 9.113 393 HE2 PHE 52 HE1 PHE 52 6.369 -4.867 11.500 394 HZ PHE 52 HZ PHE 52 4.450 -4.127 10.146 395 H THR 53 H THR 53 8.927 0.105 13.904 396 HA THR 53 HA THR 53 11.518 1.542 13.617 397 HB THR 53 HB THR 53 9.794 2.032 16.039 398 HG1 THR 53 HG1 THR 53 8.957 3.846 15.035 399 HG21 THR 53 HG21 THR 53 12.101 2.625 16.296 400 HG22 THR 53 HG22 THR 53 11.183 4.118 16.095 401 HG23 THR 53 HG23 THR 53 12.112 3.465 14.746 402 H VAL 54 H VAL 54 13.139 0.405 14.432 403 HA VAL 54 HA VAL 54 12.503 -1.525 16.629 404 HB VAL 54 HB VAL 54 12.808 -2.828 14.623 405 HG11 VAL 54 HG11 VAL 54 14.720 -2.690 13.196 406 HG12 VAL 54 HG12 VAL 54 14.058 -1.063 13.370 407 HG13 VAL 54 HG13 VAL 54 15.503 -1.529 14.268 408 HG21 VAL 54 HG21 VAL 54 14.472 -4.314 15.358 409 HG22 VAL 54 HG22 VAL 54 15.429 -3.020 16.081 410 HG23 VAL 54 HG23 VAL 54 13.905 -3.510 16.822 411 H THR 55 H THR 55 13.678 -1.276 18.401 412 HA THR 55 HA THR 55 16.202 0.312 18.152 413 HB THR 55 HB THR 55 14.690 1.547 19.504 414 HG1 THR 55 HG1 THR 55 16.898 1.043 20.380 415 HG21 THR 55 HG21 THR 55 12.942 0.446 20.369 416 HG22 THR 55 HG22 THR 55 14.006 0.031 21.713 417 HG23 THR 55 HG23 THR 55 13.809 -1.089 20.366 418 H GLU 56 H GLU 56 18.017 -0.780 18.429 419 HA GLU 56 HA GLU 56 17.939 -3.475 19.564 420 HB2 GLU 56 HB2 GLU 56 19.514 -2.229 17.696 421 HB3 GLU 56 HB3 GLU 56 20.572 -2.233 19.100 422 HG2 GLU 56 HG2 GLU 56 19.399 -4.798 18.910 423 HG3 GLU 56 HG3 GLU 56 19.979 -4.351 17.307 Start of MODEL 52 1 H1 MET 1 H MET 1 0.215 0.775 0.959 2 HA MET 1 HA MET 1 0.927 -1.086 -0.137 3 HB2 MET 1 HB2 MET 1 1.100 1.046 -2.172 4 HB3 MET 1 HB3 MET 1 2.057 -0.391 -2.505 5 HG2 MET 1 HG2 MET 1 -0.597 -1.094 -1.630 6 HG3 MET 1 HG3 MET 1 -0.646 -0.008 -3.017 7 HE1 MET 1 HE1 MET 1 -0.244 -2.265 -5.868 8 HE2 MET 1 HE2 MET 1 -1.583 -1.665 -4.890 9 HE3 MET 1 HE3 MET 1 -0.247 -0.591 -5.311 10 H GLN 2 H GLN 2 3.099 1.626 0.182 11 HA GLN 2 HA GLN 2 5.397 -0.287 0.186 12 HB2 GLN 2 HB2 GLN 2 6.758 1.875 -0.076 13 HB3 GLN 2 HB3 GLN 2 5.842 1.319 -1.471 14 HG2 GLN 2 HG2 GLN 2 4.056 2.923 -0.887 15 HG3 GLN 2 HG3 GLN 2 5.069 3.523 0.425 16 HE21 GLN 2 HE21 GLN 2 7.364 4.092 -0.349 17 HE22 GLN 2 HE22 GLN 2 7.446 5.037 -1.793 18 H TYR 3 H TYR 3 6.381 -0.697 2.044 19 HA TYR 3 HA TYR 3 5.771 1.124 4.334 20 HB2 TYR 3 HB2 TYR 3 6.756 -1.729 4.523 21 HB3 TYR 3 HB3 TYR 3 6.026 -0.747 5.788 22 HD1 TYR 3 HD2 TYR 3 5.367 -2.699 2.741 23 HD2 TYR 3 HD1 TYR 3 3.639 -0.515 5.957 24 HE1 TYR 3 HE2 TYR 3 3.161 -3.627 2.177 25 HE2 TYR 3 HE1 TYR 3 1.427 -1.438 5.403 26 HH TYR 3 HH TYR 3 0.529 -2.588 2.740 27 H LYS 4 H LYS 4 7.416 1.625 5.845 28 HA LYS 4 HA LYS 4 10.173 1.283 4.731 29 HB2 LYS 4 HB2 LYS 4 9.829 3.552 4.428 30 HB3 LYS 4 HB3 LYS 4 8.772 3.693 5.827 31 HG2 LYS 4 HG2 LYS 4 10.627 3.616 7.326 32 HG3 LYS 4 HG3 LYS 4 11.738 3.219 6.013 33 HD2 LYS 4 HD2 LYS 4 10.271 5.640 5.440 34 HD3 LYS 4 HD3 LYS 4 11.115 5.760 6.986 35 HE2 LYS 4 HE2 LYS 4 13.110 5.896 5.993 36 HE3 LYS 4 HE3 LYS 4 12.754 4.544 4.919 37 HZ1 LYS 4 HZ1 LYS 4 11.918 7.365 4.515 38 HZ2 LYS 4 HZ2 LYS 4 11.506 6.076 3.501 39 HZ3 LYS 4 HZ3 LYS 4 13.123 6.547 3.654 40 H LEU 5 H LEU 5 11.718 0.542 6.062 41 HA LEU 5 HA LEU 5 10.893 0.087 8.898 42 HB2 LEU 5 HB2 LEU 5 11.289 -2.013 8.056 43 HB3 LEU 5 HB3 LEU 5 12.541 -1.457 6.947 44 HG LEU 5 HG LEU 5 14.095 -1.239 8.843 45 HD11 LEU 5 HD11 LEU 5 11.737 -2.263 10.399 46 HD12 LEU 5 HD12 LEU 5 12.687 -0.805 10.683 47 HD13 LEU 5 HD13 LEU 5 13.396 -2.391 10.984 48 HD21 LEU 5 HD21 LEU 5 14.664 -3.276 8.164 49 HD22 LEU 5 HD22 LEU 5 12.989 -3.681 7.784 50 HD23 LEU 5 HD23 LEU 5 13.607 -3.924 9.419 51 H VAL 6 H VAL 6 11.738 1.498 10.264 52 HA VAL 6 HA VAL 6 14.426 2.624 9.636 53 HB VAL 6 HB VAL 6 12.327 3.570 11.607 54 HG11 VAL 6 HG11 VAL 6 15.125 4.404 11.061 55 HG12 VAL 6 HG12 VAL 6 13.935 5.664 11.396 56 HG13 VAL 6 HG13 VAL 6 14.224 4.385 12.577 57 HG21 VAL 6 HG21 VAL 6 13.162 4.593 8.897 58 HG22 VAL 6 HG22 VAL 6 11.581 3.967 9.367 59 HG23 VAL 6 HG23 VAL 6 12.155 5.499 10.027 60 H ILE 7 H ILE 7 16.137 1.846 10.647 61 HA ILE 7 HA ILE 7 15.691 0.366 13.197 62 HB ILE 7 HB ILE 7 18.062 0.332 11.312 63 HG12 ILE 7 HG12 ILE 7 16.384 -2.064 11.861 64 HG13 ILE 7 HG13 ILE 7 15.696 -0.819 10.824 65 HG21 ILE 7 HG21 ILE 7 18.767 -0.036 13.601 66 HG22 ILE 7 HG22 ILE 7 17.520 -1.263 13.812 67 HG23 ILE 7 HG23 ILE 7 18.854 -1.545 12.693 68 HD11 ILE 7 HD11 ILE 7 17.144 -2.842 9.892 69 HD12 ILE 7 HD12 ILE 7 17.125 -1.252 9.130 70 HD13 ILE 7 HD13 ILE 7 18.447 -1.697 10.208 71 H ASN 8 H ASN 8 16.733 0.872 15.069 72 HA ASN 8 HA ASN 8 18.426 3.339 14.975 73 HB2 ASN 8 HB2 ASN 8 16.060 2.662 16.617 74 HB3 ASN 8 HB3 ASN 8 17.412 3.348 17.512 75 HD21 ASN 8 HD21 ASN 8 18.462 5.230 16.110 76 HD22 ASN 8 HD22 ASN 8 17.321 6.428 15.613 77 H GLY 9 H GLY 9 20.105 1.588 14.689 78 HA2 GLY 9 HA2 GLY 9 20.703 0.116 17.179 79 HA3 GLY 9 HA3 GLY 9 21.545 -0.035 15.643 80 H LYS 10 H LYS 10 23.020 0.037 17.909 81 HA LYS 10 HA LYS 10 23.820 2.763 18.547 82 HB2 LYS 10 HB2 LYS 10 25.689 1.602 19.765 83 HB3 LYS 10 HB3 LYS 10 24.075 1.092 20.245 84 HG2 LYS 10 HG2 LYS 10 24.859 -0.633 18.173 85 HG3 LYS 10 HG3 LYS 10 26.250 -0.475 19.247 86 HD2 LYS 10 HD2 LYS 10 24.308 -0.777 21.074 87 HD3 LYS 10 HD3 LYS 10 23.593 -1.680 19.736 88 HE2 LYS 10 HE2 LYS 10 25.090 -3.350 19.904 89 HE3 LYS 10 HE3 LYS 10 26.430 -2.249 20.216 90 HZ1 LYS 10 HZ1 LYS 10 25.675 -3.838 22.066 91 HZ2 LYS 10 HZ2 LYS 10 24.398 -2.752 22.291 92 HZ3 LYS 10 HZ3 LYS 10 25.996 -2.227 22.472 93 H THR 11 H THR 11 24.736 0.333 16.215 94 HA THR 11 HA THR 11 26.968 2.124 15.335 95 HB THR 11 HB THR 11 28.098 0.175 14.415 96 HG1 THR 11 HG1 THR 11 26.185 -1.518 15.632 97 HG21 THR 11 HG21 THR 11 28.328 0.827 16.873 98 HG22 THR 11 HG22 THR 11 28.858 -0.795 16.425 99 HG23 THR 11 HG23 THR 11 27.301 -0.564 17.220 100 H LEU 12 H LEU 12 24.613 -0.329 14.186 101 HA LEU 12 HA LEU 12 24.798 0.740 11.456 102 HB2 LEU 12 HB2 LEU 12 24.471 -1.708 12.144 103 HB3 LEU 12 HB3 LEU 12 22.796 -1.268 12.470 104 HG LEU 12 HG LEU 12 22.479 -0.669 10.132 105 HD11 LEU 12 HD11 LEU 12 24.425 0.115 9.240 106 HD12 LEU 12 HD12 LEU 12 24.457 -1.533 8.614 107 HD13 LEU 12 HD13 LEU 12 25.416 -1.110 10.033 108 HD21 LEU 12 HD21 LEU 12 22.071 -2.792 9.529 109 HD22 LEU 12 HD22 LEU 12 22.643 -3.183 11.151 110 HD23 LEU 12 HD23 LEU 12 23.745 -3.292 9.777 111 H LYS 13 H LYS 13 23.448 2.117 10.482 112 HA LYS 13 HA LYS 13 20.781 2.609 11.633 113 HB2 LYS 13 HB2 LYS 13 23.042 4.558 11.773 114 HB3 LYS 13 HB3 LYS 13 21.441 5.184 11.400 115 HG2 LYS 13 HG2 LYS 13 20.712 3.812 13.485 116 HG3 LYS 13 HG3 LYS 13 22.428 3.873 13.892 117 HD2 LYS 13 HD2 LYS 13 21.943 6.466 13.230 118 HD3 LYS 13 HD3 LYS 13 20.394 5.994 13.933 119 HE2 LYS 13 HE2 LYS 13 21.983 4.953 15.784 120 HE3 LYS 13 HE3 LYS 13 23.078 6.201 15.193 121 HZ1 LYS 13 HZ1 LYS 13 21.176 6.575 17.063 122 HZ2 LYS 13 HZ2 LYS 13 20.392 7.128 15.670 123 HZ3 LYS 13 HZ3 LYS 13 21.870 7.807 16.135 124 H GLY 14 H GLY 14 20.108 1.701 9.635 125 HA2 GLY 14 HA2 GLY 14 20.365 3.662 7.396 126 HA3 GLY 14 HA3 GLY 14 20.548 1.937 7.114 127 H GLU 15 H GLU 15 18.767 2.854 5.536 128 HA GLU 15 HA GLU 15 16.142 2.480 6.923 129 HB2 GLU 15 HB2 GLU 15 17.036 4.271 4.726 130 HB3 GLU 15 HB3 GLU 15 15.437 3.563 4.552 131 HG2 GLU 15 HG2 GLU 15 15.128 5.643 5.603 132 HG3 GLU 15 HG3 GLU 15 14.925 4.423 6.859 133 H THR 16 H THR 16 14.527 1.229 5.900 134 HA THR 16 HA THR 16 15.436 -0.432 3.610 135 HB THR 16 HB THR 16 14.391 -1.574 6.218 136 HG1 THR 16 HG1 THR 16 16.490 -1.555 6.574 137 HG21 THR 16 HG21 THR 16 14.346 -2.598 3.498 138 HG22 THR 16 HG22 THR 16 13.561 -3.220 4.950 139 HG23 THR 16 HG23 THR 16 15.233 -3.656 4.595 140 H THR 17 H THR 17 13.949 0.400 2.217 141 HA THR 17 HA THR 17 11.095 0.310 3.073 142 HB THR 17 HB THR 17 10.598 1.851 1.371 143 HG1 THR 17 HG1 THR 17 13.157 1.285 0.243 144 HG21 THR 17 HG21 THR 17 13.395 2.649 2.168 145 HG22 THR 17 HG22 THR 17 12.004 2.764 3.246 146 HG23 THR 17 HG23 THR 17 12.048 3.709 1.758 147 H THR 18 H THR 18 9.553 -0.859 1.997 148 HA THR 18 HA THR 18 10.356 -2.396 -0.394 149 HB THR 18 HB THR 18 10.972 -3.785 1.635 150 HG1 THR 18 HG1 THR 18 10.703 -5.058 -0.077 151 HG21 THR 18 HG21 THR 18 8.121 -4.507 1.986 152 HG22 THR 18 HG22 THR 18 8.647 -2.985 2.706 153 HG23 THR 18 HG23 THR 18 9.440 -4.494 3.156 154 H LYS 19 H LYS 19 8.341 -4.042 -0.809 155 HA LYS 19 HA LYS 19 5.867 -2.408 -0.433 156 HB2 LYS 19 HB2 LYS 19 6.411 -1.944 -2.666 157 HB3 LYS 19 HB3 LYS 19 7.016 -3.569 -2.963 158 HG2 LYS 19 HG2 LYS 19 4.175 -3.431 -2.250 159 HG3 LYS 19 HG3 LYS 19 4.602 -2.646 -3.772 160 HD2 LYS 19 HD2 LYS 19 5.807 -5.297 -3.334 161 HD3 LYS 19 HD3 LYS 19 4.052 -5.285 -3.522 162 HE2 LYS 19 HE2 LYS 19 4.901 -3.591 -5.515 163 HE3 LYS 19 HE3 LYS 19 6.156 -4.829 -5.491 164 HZ1 LYS 19 HZ1 LYS 19 3.304 -5.086 -6.125 165 HZ2 LYS 19 HZ2 LYS 19 4.099 -6.411 -5.438 166 HZ3 LYS 19 HZ3 LYS 19 4.645 -5.764 -6.902 167 H ALA 20 H ALA 20 4.064 -3.496 0.117 168 HA ALA 20 HA ALA 20 3.941 -6.410 -0.314 169 HB1 ALA 20 HB1 ALA 20 4.694 -6.908 1.727 170 HB2 ALA 20 HB2 ALA 20 4.620 -5.228 2.259 171 HB3 ALA 20 HB3 ALA 20 3.180 -6.243 2.341 172 H VAL 21 H VAL 21 1.853 -7.285 -0.131 173 HA VAL 21 HA VAL 21 -0.245 -5.464 -0.829 174 HB VAL 21 HB VAL 21 -0.351 -7.732 -1.606 175 HG11 VAL 21 HG11 VAL 21 -0.365 -8.497 1.307 176 HG12 VAL 21 HG12 VAL 21 -0.775 -9.610 0.000 177 HG13 VAL 21 HG13 VAL 21 0.842 -8.909 0.089 178 HG21 VAL 21 HG21 VAL 21 -2.473 -6.432 -0.830 179 HG22 VAL 21 HG22 VAL 21 -2.605 -8.126 -1.303 180 HG23 VAL 21 HG23 VAL 21 -2.560 -7.689 0.404 181 H ASP 22 H ASP 22 0.824 -6.863 2.216 182 HA ASP 22 HA ASP 22 -1.004 -5.029 3.630 183 HB2 ASP 22 HB2 ASP 22 -1.744 -6.908 5.159 184 HB3 ASP 22 HB3 ASP 22 -2.421 -6.951 3.533 185 H ALA 23 H ALA 23 -0.445 -4.686 5.844 186 HA ALA 23 HA ALA 23 2.326 -4.508 6.310 187 HB1 ALA 23 HB1 ALA 23 1.776 -3.608 8.343 188 HB2 ALA 23 HB2 ALA 23 0.229 -3.443 7.511 189 HB3 ALA 23 HB3 ALA 23 0.484 -4.771 8.643 190 H GLU 24 H GLU 24 -0.006 -7.010 7.329 191 HA GLU 24 HA GLU 24 1.598 -8.491 9.059 192 HB2 GLU 24 HB2 GLU 24 -0.660 -9.149 8.776 193 HB3 GLU 24 HB3 GLU 24 -0.475 -9.350 7.039 194 HG2 GLU 24 HG2 GLU 24 0.395 -11.421 7.228 195 HG3 GLU 24 HG3 GLU 24 1.229 -11.054 8.737 196 H THR 25 H THR 25 1.752 -8.264 5.552 197 HA THR 25 HA THR 25 3.583 -10.529 5.299 198 HB THR 25 HB THR 25 2.762 -8.366 3.341 199 HG1 THR 25 HG1 THR 25 1.194 -9.712 2.886 200 HG21 THR 25 HG21 THR 25 4.720 -8.961 2.346 201 HG22 THR 25 HG22 THR 25 3.731 -10.302 1.768 202 HG23 THR 25 HG23 THR 25 4.786 -10.522 3.163 203 H ALA 26 H ALA 26 3.837 -6.962 5.084 204 HA ALA 26 HA ALA 26 6.628 -6.883 4.553 205 HB1 ALA 26 HB1 ALA 26 4.872 -5.009 4.439 206 HB2 ALA 26 HB2 ALA 26 5.203 -4.778 6.156 207 HB3 ALA 26 HB3 ALA 26 6.499 -4.590 4.975 208 H GLU 27 H GLU 27 4.797 -7.057 7.588 209 HA GLU 27 HA GLU 27 6.816 -6.454 9.423 210 HB2 GLU 27 HB2 GLU 27 4.426 -6.955 9.955 211 HB3 GLU 27 HB3 GLU 27 4.763 -8.664 9.717 212 HG2 GLU 27 HG2 GLU 27 6.267 -8.696 11.573 213 HG3 GLU 27 HG3 GLU 27 6.168 -6.944 11.744 214 H LYS 28 H LYS 28 6.204 -9.497 7.693 215 HA LYS 28 HA LYS 28 8.342 -10.897 9.103 216 HB2 LYS 28 HB2 LYS 28 6.184 -11.577 7.359 217 HB3 LYS 28 HB3 LYS 28 7.670 -12.183 6.639 218 HG2 LYS 28 HG2 LYS 28 7.783 -13.848 8.096 219 HG3 LYS 28 HG3 LYS 28 7.592 -12.748 9.463 220 HD2 LYS 28 HD2 LYS 28 5.088 -12.730 8.751 221 HD3 LYS 28 HD3 LYS 28 5.505 -14.224 7.909 222 HE2 LYS 28 HE2 LYS 28 6.607 -14.331 10.529 223 HE3 LYS 28 HE3 LYS 28 4.917 -13.844 10.659 224 HZ1 LYS 28 HZ1 LYS 28 5.727 -16.378 10.469 225 HZ2 LYS 28 HZ2 LYS 28 5.441 -16.036 8.837 226 HZ3 LYS 28 HZ3 LYS 28 4.201 -15.842 9.972 227 H ALA 29 H ALA 29 7.938 -9.181 6.037 228 HA ALA 29 HA ALA 29 10.369 -10.046 4.817 229 HB1 ALA 29 HB1 ALA 29 8.440 -8.843 3.720 230 HB2 ALA 29 HB2 ALA 29 9.067 -7.353 4.425 231 HB3 ALA 29 HB3 ALA 29 10.048 -8.267 3.279 232 H PHE 30 H PHE 30 9.606 -7.151 6.787 233 HA PHE 30 HA PHE 30 12.271 -6.099 6.689 234 HB2 PHE 30 HB2 PHE 30 10.006 -5.674 8.659 235 HB3 PHE 30 HB3 PHE 30 11.508 -4.755 8.682 236 HD1 PHE 30 HD2 PHE 30 11.991 -4.294 5.834 237 HD2 PHE 30 HD1 PHE 30 8.364 -4.164 8.058 238 HE1 PHE 30 HE2 PHE 30 11.049 -2.716 4.199 239 HE2 PHE 30 HE1 PHE 30 7.416 -2.586 6.426 240 HZ PHE 30 HZ PHE 30 8.759 -1.859 4.494 241 H LYS 31 H LYS 31 10.589 -8.285 8.922 242 HA LYS 31 HA LYS 31 12.595 -8.332 10.945 243 HB2 LYS 31 HB2 LYS 31 10.184 -9.296 10.931 244 HB3 LYS 31 HB3 LYS 31 10.917 -10.730 10.224 245 HG2 LYS 31 HG2 LYS 31 11.953 -11.323 12.151 246 HG3 LYS 31 HG3 LYS 31 12.164 -9.654 12.683 247 HD2 LYS 31 HD2 LYS 31 9.391 -10.116 12.610 248 HD3 LYS 31 HD3 LYS 31 10.110 -11.534 13.376 249 HE2 LYS 31 HE2 LYS 31 11.178 -8.945 14.273 250 HE3 LYS 31 HE3 LYS 31 9.486 -9.237 14.674 251 HZ1 LYS 31 HZ1 LYS 31 10.418 -11.522 15.457 252 HZ2 LYS 31 HZ2 LYS 31 10.539 -10.166 16.460 253 HZ3 LYS 31 HZ3 LYS 31 11.881 -10.679 15.567 254 H GLN 32 H GLN 32 12.580 -9.570 7.748 255 HA GLN 32 HA GLN 32 14.553 -11.676 8.312 256 HB2 GLN 32 HB2 GLN 32 12.811 -11.901 6.536 257 HB3 GLN 32 HB3 GLN 32 13.590 -10.598 5.648 258 HG2 GLN 32 HG2 GLN 32 15.511 -12.615 6.332 259 HG3 GLN 32 HG3 GLN 32 14.132 -13.336 5.504 260 HE21 GLN 32 HE21 GLN 32 13.381 -11.480 3.734 261 HE22 GLN 32 HE22 GLN 32 14.649 -11.147 2.608 262 H TYR 33 H TYR 33 14.502 -8.314 7.530 263 HA TYR 33 HA TYR 33 17.213 -8.322 6.397 264 HB2 TYR 33 HB2 TYR 33 15.250 -6.711 5.830 265 HB3 TYR 33 HB3 TYR 33 15.717 -5.866 7.301 266 HD1 TYR 33 HD2 TYR 33 17.503 -7.358 4.366 267 HD2 TYR 33 HD1 TYR 33 17.010 -4.001 6.934 268 HE1 TYR 33 HE2 TYR 33 19.242 -6.151 3.114 269 HE2 TYR 33 HE1 TYR 33 18.746 -2.785 5.688 270 HH TYR 33 HH TYR 33 20.066 -2.793 3.886 271 H ALA 34 H ALA 34 15.656 -6.780 9.248 272 HA ALA 34 HA ALA 34 17.974 -5.876 10.511 273 HB1 ALA 34 HB1 ALA 34 15.245 -6.223 11.192 274 HB2 ALA 34 HB2 ALA 34 16.208 -6.879 12.517 275 HB3 ALA 34 HB3 ALA 34 16.454 -5.215 11.988 276 H ASN 35 H ASN 35 16.389 -9.070 10.883 277 HA ASN 35 HA ASN 35 18.187 -10.126 12.789 278 HB2 ASN 35 HB2 ASN 35 16.075 -11.214 12.168 279 HB3 ASN 35 HB3 ASN 35 16.712 -11.574 10.566 280 HD21 ASN 35 HD21 ASN 35 16.085 -13.770 11.250 281 HD22 ASN 35 HD22 ASN 35 17.241 -14.708 12.128 282 H ASP 36 H ASP 36 18.469 -9.766 9.297 283 HA ASP 36 HA ASP 36 20.942 -11.379 9.247 284 HB2 ASP 36 HB2 ASP 36 18.992 -10.965 7.390 285 HB3 ASP 36 HB3 ASP 36 20.191 -9.785 6.868 286 H ASN 37 H ASN 37 20.138 -8.299 10.157 287 HA ASN 37 HA ASN 37 22.795 -7.247 9.267 288 HB2 ASN 37 HB2 ASN 37 20.147 -5.872 9.716 289 HB3 ASN 37 HB3 ASN 37 21.660 -4.972 9.767 290 HD21 ASN 37 HD21 ASN 37 19.179 -5.934 7.833 291 HD22 ASN 37 HD22 ASN 37 19.935 -5.758 6.290 292 H GLY 38 H GLY 38 21.976 -8.900 11.667 293 HA2 GLY 38 HA2 GLY 38 22.481 -8.932 13.924 294 HA3 GLY 38 HA3 GLY 38 23.676 -7.696 13.562 295 H VAL 39 H VAL 39 20.126 -7.555 13.307 296 HA VAL 39 HA VAL 39 20.177 -5.500 15.478 297 HB VAL 39 HB VAL 39 18.504 -5.337 12.958 298 HG11 VAL 39 HG11 VAL 39 18.040 -4.234 15.439 299 HG12 VAL 39 HG12 VAL 39 18.844 -2.933 14.560 300 HG13 VAL 39 HG13 VAL 39 17.376 -3.662 13.909 301 HG21 VAL 39 HG21 VAL 39 21.194 -4.347 13.609 302 HG22 VAL 39 HG22 VAL 39 20.444 -4.652 12.042 303 HG23 VAL 39 HG23 VAL 39 20.103 -3.153 12.905 304 H ASP 40 H ASP 40 18.732 -5.779 17.048 305 HA ASP 40 HA ASP 40 16.163 -7.054 16.539 306 HB2 ASP 40 HB2 ASP 40 17.620 -9.043 16.690 307 HB3 ASP 40 HB3 ASP 40 18.183 -8.511 18.272 308 H GLY 41 H GLY 41 14.668 -6.634 18.124 309 HA2 GLY 41 HA2 GLY 41 15.120 -6.035 20.800 310 HA3 GLY 41 HA3 GLY 41 15.382 -4.512 19.963 311 H VAL 42 H VAL 42 13.695 -3.215 19.785 312 HA VAL 42 HA VAL 42 11.016 -4.365 20.299 313 HB VAL 42 HB VAL 42 11.718 -1.451 19.899 314 HG11 VAL 42 HG11 VAL 42 9.346 -2.964 20.885 315 HG12 VAL 42 HG12 VAL 42 9.680 -1.363 21.548 316 HG13 VAL 42 HG13 VAL 42 9.426 -1.565 19.814 317 HG21 VAL 42 HG21 VAL 42 11.965 -3.192 22.324 318 HG22 VAL 42 HG22 VAL 42 13.100 -2.003 21.685 319 HG23 VAL 42 HG23 VAL 42 11.621 -1.469 22.482 320 H TRP 43 H TRP 43 9.183 -3.876 18.981 321 HA TRP 43 HA TRP 43 9.865 -3.082 16.188 322 HB2 TRP 43 HB2 TRP 43 8.536 -5.619 17.113 323 HB3 TRP 43 HB3 TRP 43 8.123 -4.930 15.545 324 HD1 TRP 43 HD1 TRP 43 11.092 -6.479 17.433 325 HE1 TRP 43 HE1 TRP 43 12.818 -7.291 15.705 326 HE3 TRP 43 HE3 TRP 43 8.940 -4.601 13.193 327 HZ2 TRP 43 HZ2 TRP 43 13.215 -7.153 12.914 328 HZ3 TRP 43 HZ3 TRP 43 10.057 -4.984 11.035 329 HH2 TRP 43 HH2 TRP 43 12.150 -6.234 10.900 330 H THR 44 H THR 44 8.901 -1.078 16.508 331 HA THR 44 HA THR 44 6.027 -1.093 17.266 332 HB THR 44 HB THR 44 6.575 1.526 16.908 333 HG1 THR 44 HG1 THR 44 8.714 1.896 17.661 334 HG21 THR 44 HG21 THR 44 7.488 0.168 19.427 335 HG22 THR 44 HG22 THR 44 5.787 0.195 18.963 336 HG23 THR 44 HG23 THR 44 6.649 1.708 19.241 337 H TYR 45 H TYR 45 4.707 -1.513 15.614 338 HA TYR 45 HA TYR 45 5.263 -0.080 13.046 339 HB2 TYR 45 HB2 TYR 45 4.979 -2.010 11.946 340 HB3 TYR 45 HB3 TYR 45 4.949 -2.837 13.499 341 HD1 TYR 45 HD2 TYR 45 2.848 -1.365 10.847 342 HD2 TYR 45 HD1 TYR 45 2.922 -3.728 14.384 343 HE1 TYR 45 HE2 TYR 45 0.523 -2.051 10.430 344 HE2 TYR 45 HE1 TYR 45 0.598 -4.422 13.976 345 HH TYR 45 HH TYR 45 -0.933 -4.624 11.942 346 H ASP 46 H ASP 46 3.672 1.096 12.105 347 HA ASP 46 HA ASP 46 1.088 1.208 13.614 348 HB2 ASP 46 HB2 ASP 46 2.468 3.246 13.883 349 HB3 ASP 46 HB3 ASP 46 2.488 3.457 12.135 350 H ASP 47 H ASP 47 -0.726 0.826 12.525 351 HA ASP 47 HA ASP 47 -0.510 0.170 9.678 352 HB2 ASP 47 HB2 ASP 47 -2.727 -0.687 9.887 353 HB3 ASP 47 HB3 ASP 47 -1.892 -1.115 11.377 354 H ALA 48 H ALA 48 -0.729 3.022 11.250 355 HA ALA 48 HA ALA 48 -2.743 4.213 9.422 356 HB1 ALA 48 HB1 ALA 48 -1.691 4.847 12.054 357 HB2 ALA 48 HB2 ALA 48 -1.677 6.248 10.982 358 HB3 ALA 48 HB3 ALA 48 -3.182 5.375 11.273 359 H THR 49 H THR 49 0.532 5.140 10.584 360 HA THR 49 HA THR 49 0.991 6.388 7.918 361 HB THR 49 HB THR 49 2.695 7.703 8.921 362 HG1 THR 49 HG1 THR 49 2.439 6.065 11.243 363 HG21 THR 49 HG21 THR 49 0.808 7.636 11.226 364 HG22 THR 49 HG22 THR 49 0.171 8.028 9.628 365 HG23 THR 49 HG23 THR 49 1.451 9.014 10.334 366 H LYS 50 H LYS 50 1.079 3.511 8.269 367 HA LYS 50 HA LYS 50 2.648 1.731 8.248 368 HB2 LYS 50 HB2 LYS 50 3.864 1.934 5.971 369 HB3 LYS 50 HB3 LYS 50 2.106 1.917 5.983 370 HG2 LYS 50 HG2 LYS 50 3.304 4.587 6.158 371 HG3 LYS 50 HG3 LYS 50 3.630 3.721 4.655 372 HD2 LYS 50 HD2 LYS 50 1.563 4.111 3.928 373 HD3 LYS 50 HD3 LYS 50 0.873 3.405 5.391 374 HE2 LYS 50 HE2 LYS 50 0.160 5.444 5.924 375 HE3 LYS 50 HE3 LYS 50 1.846 5.883 6.196 376 HZ1 LYS 50 HZ1 LYS 50 1.699 6.181 3.568 377 HZ2 LYS 50 HZ2 LYS 50 1.357 7.432 4.654 378 HZ3 LYS 50 HZ3 LYS 50 0.095 6.538 3.969 379 H THR 51 H THR 51 3.758 2.967 10.191 380 HA THR 51 HA THR 51 6.566 3.573 9.356 381 HB THR 51 HB THR 51 5.092 4.392 11.877 382 HG1 THR 51 HG1 THR 51 5.705 6.532 10.811 383 HG21 THR 51 HG21 THR 51 7.201 4.367 12.711 384 HG22 THR 51 HG22 THR 51 7.321 5.902 11.850 385 HG23 THR 51 HG23 THR 51 7.947 4.426 11.115 386 H PHE 52 H PHE 52 7.759 1.785 9.503 387 HA PHE 52 HA PHE 52 7.293 -0.007 11.839 388 HB2 PHE 52 HB2 PHE 52 8.320 -0.400 9.069 389 HB3 PHE 52 HB3 PHE 52 9.023 -1.405 10.332 390 HD1 PHE 52 HD2 PHE 52 5.750 -0.354 8.917 391 HD2 PHE 52 HD1 PHE 52 7.949 -3.341 11.006 392 HE1 PHE 52 HE2 PHE 52 3.814 -1.866 8.785 393 HE2 PHE 52 HE1 PHE 52 6.016 -4.858 10.876 394 HZ PHE 52 HZ PHE 52 3.945 -4.122 9.765 395 H THR 53 H THR 53 8.434 0.762 13.521 396 HA THR 53 HA THR 53 11.261 1.562 13.021 397 HB THR 53 HB THR 53 9.982 1.858 15.709 398 HG1 THR 53 HG1 THR 53 8.557 3.265 15.025 399 HG21 THR 53 HG21 THR 53 11.638 3.343 16.052 400 HG22 THR 53 HG22 THR 53 11.434 4.081 14.463 401 HG23 THR 53 HG23 THR 53 12.381 2.604 14.634 402 H VAL 54 H VAL 54 12.983 0.589 14.006 403 HA VAL 54 HA VAL 54 12.369 -1.737 15.772 404 HB VAL 54 HB VAL 54 14.224 -1.759 13.378 405 HG11 VAL 54 HG11 VAL 54 14.368 -4.265 14.227 406 HG12 VAL 54 HG12 VAL 54 15.473 -3.019 14.811 407 HG13 VAL 54 HG13 VAL 54 14.081 -3.492 15.786 408 HG21 VAL 54 HG21 VAL 54 11.769 -3.377 14.055 409 HG22 VAL 54 HG22 VAL 54 11.895 -2.134 12.810 410 HG23 VAL 54 HG23 VAL 54 12.805 -3.637 12.652 411 H THR 55 H THR 55 13.119 -0.865 17.636 412 HA THR 55 HA THR 55 15.794 0.413 17.617 413 HB THR 55 HB THR 55 14.231 0.057 20.140 414 HG1 THR 55 HG1 THR 55 12.585 0.754 18.828 415 HG21 THR 55 HG21 THR 55 15.592 2.514 19.063 416 HG22 THR 55 HG22 THR 55 16.483 1.236 19.890 417 HG23 THR 55 HG23 THR 55 15.210 2.115 20.737 418 H GLU 56 H GLU 56 17.580 -0.369 18.642 419 HA GLU 56 HA GLU 56 17.411 -3.230 19.419 420 HB2 GLU 56 HB2 GLU 56 19.171 -1.995 17.803 421 HB3 GLU 56 HB3 GLU 56 20.020 -1.797 19.330 422 HG2 GLU 56 HG2 GLU 56 19.347 -4.415 19.455 423 HG3 GLU 56 HG3 GLU 56 19.563 -4.203 17.719 Start of MODEL 53 1 H1 MET 1 H MET 1 -0.220 -0.014 0.908 2 HA MET 1 HA MET 1 0.892 -0.720 -1.001 3 HB2 MET 1 HB2 MET 1 -0.016 1.832 -1.109 4 HB3 MET 1 HB3 MET 1 1.676 2.081 -1.521 5 HG2 MET 1 HG2 MET 1 1.515 0.923 -3.485 6 HG3 MET 1 HG3 MET 1 0.172 -0.067 -2.918 7 HE1 MET 1 HE1 MET 1 0.657 1.754 -5.789 8 HE2 MET 1 HE2 MET 1 -0.120 3.335 -5.707 9 HE3 MET 1 HE3 MET 1 1.343 3.021 -4.772 10 H GLN 2 H GLN 2 2.780 1.581 0.929 11 HA GLN 2 HA GLN 2 5.203 0.007 0.228 12 HB2 GLN 2 HB2 GLN 2 4.869 2.994 -0.072 13 HB3 GLN 2 HB3 GLN 2 6.449 2.247 0.116 14 HG2 GLN 2 HG2 GLN 2 6.230 1.055 -1.914 15 HG3 GLN 2 HG3 GLN 2 4.519 1.456 -2.043 16 HE21 GLN 2 HE21 GLN 2 5.955 1.953 -4.193 17 HE22 GLN 2 HE22 GLN 2 6.270 3.641 -4.383 18 H TYR 3 H TYR 3 6.127 -0.665 2.028 19 HA TYR 3 HA TYR 3 5.592 0.855 4.527 20 HB2 TYR 3 HB2 TYR 3 6.782 -1.907 4.129 21 HB3 TYR 3 HB3 TYR 3 6.375 -1.172 5.675 22 HD1 TYR 3 HD1 TYR 3 3.909 -0.540 6.059 23 HD2 TYR 3 HD2 TYR 3 5.198 -3.175 2.977 24 HE1 TYR 3 HE1 TYR 3 1.633 -1.458 5.900 25 HE2 TYR 3 HE2 TYR 3 2.925 -4.100 2.809 26 HH TYR 3 HH TYR 3 0.501 -3.145 3.392 27 H LYS 4 H LYS 4 7.299 1.238 6.062 28 HA LYS 4 HA LYS 4 9.999 1.384 4.787 29 HB2 LYS 4 HB2 LYS 4 8.869 3.609 4.795 30 HB3 LYS 4 HB3 LYS 4 8.752 3.516 6.547 31 HG2 LYS 4 HG2 LYS 4 11.298 3.255 6.515 32 HG3 LYS 4 HG3 LYS 4 11.198 3.818 4.845 33 HD2 LYS 4 HD2 LYS 4 9.676 5.442 6.749 34 HD3 LYS 4 HD3 LYS 4 11.416 5.428 7.045 35 HE2 LYS 4 HE2 LYS 4 11.864 6.191 4.821 36 HE3 LYS 4 HE3 LYS 4 10.173 6.000 4.359 37 HZ1 LYS 4 HZ1 LYS 4 11.423 8.079 6.011 38 HZ2 LYS 4 HZ2 LYS 4 9.807 7.674 6.300 39 HZ3 LYS 4 HZ3 LYS 4 10.279 8.232 4.775 40 H LEU 5 H LEU 5 11.660 0.690 5.993 41 HA LEU 5 HA LEU 5 11.015 -0.049 8.817 42 HB2 LEU 5 HB2 LEU 5 11.542 -2.032 7.758 43 HB3 LEU 5 HB3 LEU 5 12.732 -1.279 6.699 44 HG LEU 5 HG LEU 5 14.341 -1.187 8.485 45 HD11 LEU 5 HD11 LEU 5 13.314 -0.762 10.473 46 HD12 LEU 5 HD12 LEU 5 13.563 -2.499 10.644 47 HD13 LEU 5 HD13 LEU 5 11.986 -1.879 10.156 48 HD21 LEU 5 HD21 LEU 5 14.894 -3.411 8.517 49 HD22 LEU 5 HD22 LEU 5 13.730 -3.390 7.192 50 HD23 LEU 5 HD23 LEU 5 13.233 -3.935 8.795 51 H VAL 6 H VAL 6 11.661 1.605 10.064 52 HA VAL 6 HA VAL 6 14.255 2.909 9.472 53 HB VAL 6 HB VAL 6 12.168 3.540 11.576 54 HG11 VAL 6 HG11 VAL 6 13.403 5.650 11.851 55 HG12 VAL 6 HG12 VAL 6 14.376 4.246 12.293 56 HG13 VAL 6 HG13 VAL 6 14.642 5.054 10.747 57 HG21 VAL 6 HG21 VAL 6 11.096 4.222 9.692 58 HG22 VAL 6 HG22 VAL 6 12.107 5.645 9.942 59 HG23 VAL 6 HG23 VAL 6 12.591 4.414 8.776 60 H ILE 7 H ILE 7 15.895 1.601 10.093 61 HA ILE 7 HA ILE 7 15.754 0.374 12.793 62 HB ILE 7 HB ILE 7 17.834 0.038 10.617 63 HG12 ILE 7 HG12 ILE 7 15.723 -1.939 11.477 64 HG13 ILE 7 HG13 ILE 7 15.479 -0.813 10.147 65 HG21 ILE 7 HG21 ILE 7 17.830 -2.135 12.396 66 HG22 ILE 7 HG22 ILE 7 19.083 -0.913 12.185 67 HG23 ILE 7 HG23 ILE 7 17.817 -0.678 13.390 68 HD11 ILE 7 HD11 ILE 7 16.667 -2.063 8.748 69 HD12 ILE 7 HD12 ILE 7 17.966 -2.291 9.920 70 HD13 ILE 7 HD13 ILE 7 16.544 -3.333 9.965 71 H ASN 8 H ASN 8 16.620 1.339 14.490 72 HA ASN 8 HA ASN 8 18.891 3.222 13.992 73 HB2 ASN 8 HB2 ASN 8 16.550 3.455 15.893 74 HB3 ASN 8 HB3 ASN 8 18.023 4.398 16.098 75 HD21 ASN 8 HD21 ASN 8 18.735 5.329 13.811 76 HD22 ASN 8 HD22 ASN 8 17.485 6.215 13.014 77 H GLY 9 H GLY 9 20.081 1.109 14.284 78 HA2 GLY 9 HA2 GLY 9 20.143 0.050 17.007 79 HA3 GLY 9 HA3 GLY 9 21.170 -0.433 15.665 80 H LYS 10 H LYS 10 21.748 0.201 18.534 81 HA LYS 10 HA LYS 10 23.019 2.669 18.862 82 HB2 LYS 10 HB2 LYS 10 22.701 0.933 20.623 83 HB3 LYS 10 HB3 LYS 10 24.006 -0.002 19.904 84 HG2 LYS 10 HG2 LYS 10 25.292 2.310 20.241 85 HG3 LYS 10 HG3 LYS 10 24.106 2.456 21.541 86 HD2 LYS 10 HD2 LYS 10 24.917 0.597 22.662 87 HD3 LYS 10 HD3 LYS 10 25.663 -0.078 21.212 88 HE2 LYS 10 HE2 LYS 10 26.629 2.515 22.355 89 HE3 LYS 10 HE3 LYS 10 27.163 0.982 23.043 90 HZ1 LYS 10 HZ1 LYS 10 27.406 0.822 20.263 91 HZ2 LYS 10 HZ2 LYS 10 28.638 0.815 21.421 92 HZ3 LYS 10 HZ3 LYS 10 28.115 2.278 20.752 93 H THR 11 H THR 11 24.051 -0.138 17.032 94 HA THR 11 HA THR 11 26.565 1.339 16.349 95 HB THR 11 HB THR 11 27.481 -0.936 15.729 96 HG1 THR 11 HG1 THR 11 25.533 -2.064 17.414 97 HG21 THR 11 HG21 THR 11 27.396 -1.602 18.369 98 HG22 THR 11 HG22 THR 11 26.960 0.106 18.426 99 HG23 THR 11 HG23 THR 11 28.476 -0.393 17.677 100 H LEU 12 H LEU 12 23.995 -0.830 15.150 101 HA LEU 12 HA LEU 12 24.774 -0.113 12.369 102 HB2 LEU 12 HB2 LEU 12 24.256 -2.519 13.316 103 HB3 LEU 12 HB3 LEU 12 22.586 -2.038 13.028 104 HG LEU 12 HG LEU 12 23.070 -1.715 10.662 105 HD11 LEU 12 HD11 LEU 12 25.324 -1.009 10.649 106 HD12 LEU 12 HD12 LEU 12 25.291 -2.560 9.811 107 HD13 LEU 12 HD13 LEU 12 25.865 -2.470 11.476 108 HD21 LEU 12 HD21 LEU 12 22.362 -3.928 11.488 109 HD22 LEU 12 HD22 LEU 12 24.057 -4.393 11.642 110 HD23 LEU 12 HD23 LEU 12 23.381 -4.034 10.052 111 H LYS 13 H LYS 13 23.827 1.595 11.507 112 HA LYS 13 HA LYS 13 20.935 2.024 12.134 113 HB2 LYS 13 HB2 LYS 13 23.141 3.763 12.680 114 HB3 LYS 13 HB3 LYS 13 22.158 4.503 11.423 115 HG2 LYS 13 HG2 LYS 13 20.191 4.342 12.830 116 HG3 LYS 13 HG3 LYS 13 21.131 3.525 14.081 117 HD2 LYS 13 HD2 LYS 13 22.102 6.162 13.114 118 HD3 LYS 13 HD3 LYS 13 20.669 6.140 14.144 119 HE2 LYS 13 HE2 LYS 13 21.978 4.751 15.771 120 HE3 LYS 13 HE3 LYS 13 23.404 5.044 14.776 121 HZ1 LYS 13 HZ1 LYS 13 22.920 6.570 16.782 122 HZ2 LYS 13 HZ2 LYS 13 21.805 7.315 15.751 123 HZ3 LYS 13 HZ3 LYS 13 23.443 7.264 15.330 124 H GLY 14 H GLY 14 19.626 2.138 10.429 125 HA2 GLY 14 HA2 GLY 14 20.548 3.237 7.896 126 HA3 GLY 14 HA3 GLY 14 20.361 1.490 7.850 127 H GLU 15 H GLU 15 18.789 2.082 6.135 128 HA GLU 15 HA GLU 15 16.117 2.051 7.309 129 HB2 GLU 15 HB2 GLU 15 17.052 4.552 6.858 130 HB3 GLU 15 HB3 GLU 15 16.380 4.195 5.273 131 HG2 GLU 15 HG2 GLU 15 14.214 3.845 6.174 132 HG3 GLU 15 HG3 GLU 15 14.829 3.875 7.825 133 H THR 16 H THR 16 14.410 1.827 5.615 134 HA THR 16 HA THR 16 15.093 1.271 2.899 135 HB THR 16 HB THR 16 16.275 -0.668 3.957 136 HG1 THR 16 HG1 THR 16 15.021 -2.255 2.588 137 HG21 THR 16 HG21 THR 16 14.623 -0.983 5.808 138 HG22 THR 16 HG22 THR 16 15.029 -2.467 4.947 139 HG23 THR 16 HG23 THR 16 13.500 -1.650 4.624 140 H THR 17 H THR 17 13.300 -0.241 1.883 141 HA THR 17 HA THR 17 10.730 0.089 3.322 142 HB THR 17 HB THR 17 9.697 1.041 1.205 143 HG1 THR 17 HG1 THR 17 11.078 1.985 -0.280 144 HG21 THR 17 HG21 THR 17 11.671 2.635 2.831 145 HG22 THR 17 HG22 THR 17 9.929 2.493 3.067 146 HG23 THR 17 HG23 THR 17 10.562 3.376 1.678 147 H THR 18 H THR 18 8.956 -1.089 2.342 148 HA THR 18 HA THR 18 9.664 -3.009 0.222 149 HB THR 18 HB THR 18 10.375 -3.996 2.495 150 HG1 THR 18 HG1 THR 18 9.791 -6.010 1.748 151 HG21 THR 18 HG21 THR 18 8.180 -3.213 3.572 152 HG22 THR 18 HG22 THR 18 8.740 -4.842 3.949 153 HG23 THR 18 HG23 THR 18 7.446 -4.603 2.775 154 H LYS 19 H LYS 19 7.917 -3.803 -0.879 155 HA LYS 19 HA LYS 19 5.318 -2.573 -0.107 156 HB2 LYS 19 HB2 LYS 19 4.685 -2.747 -2.376 157 HB3 LYS 19 HB3 LYS 19 6.368 -2.234 -2.412 158 HG2 LYS 19 HG2 LYS 19 6.676 -4.911 -2.511 159 HG3 LYS 19 HG3 LYS 19 5.128 -4.733 -3.340 160 HD2 LYS 19 HD2 LYS 19 6.578 -4.501 -5.104 161 HD3 LYS 19 HD3 LYS 19 6.398 -2.815 -4.613 162 HE2 LYS 19 HE2 LYS 19 8.512 -4.188 -3.163 163 HE3 LYS 19 HE3 LYS 19 8.774 -4.192 -4.906 164 HZ1 LYS 19 HZ1 LYS 19 9.604 -2.218 -3.455 165 HZ2 LYS 19 HZ2 LYS 19 8.004 -1.684 -3.587 166 HZ3 LYS 19 HZ3 LYS 19 8.933 -1.924 -4.981 167 H ALA 20 H ALA 20 3.566 -3.729 0.439 168 HA ALA 20 HA ALA 20 3.353 -6.560 -0.243 169 HB1 ALA 20 HB1 ALA 20 4.786 -6.035 2.042 170 HB2 ALA 20 HB2 ALA 20 3.157 -6.304 2.665 171 HB3 ALA 20 HB3 ALA 20 3.940 -7.541 1.681 172 H VAL 21 H VAL 21 1.295 -7.449 0.211 173 HA VAL 21 HA VAL 21 -0.866 -5.695 -0.096 174 HB VAL 21 HB VAL 21 -2.291 -7.605 0.730 175 HG11 VAL 21 HG11 VAL 21 -0.646 -9.064 -1.111 176 HG12 VAL 21 HG12 VAL 21 -2.210 -8.292 -1.381 177 HG13 VAL 21 HG13 VAL 21 -0.721 -7.368 -1.588 178 HG21 VAL 21 HG21 VAL 21 -0.884 -8.604 2.369 179 HG22 VAL 21 HG22 VAL 21 -1.073 -9.777 1.066 180 HG23 VAL 21 HG23 VAL 21 0.416 -8.841 1.201 181 H ASP 22 H ASP 22 0.493 -7.083 2.893 182 HA ASP 22 HA ASP 22 -0.817 -4.899 4.399 183 HB2 ASP 22 HB2 ASP 22 -1.671 -6.475 6.112 184 HB3 ASP 22 HB3 ASP 22 -2.445 -6.707 4.546 185 H ALA 23 H ALA 23 -0.210 -5.457 6.926 186 HA ALA 23 HA ALA 23 2.693 -5.202 6.922 187 HB1 ALA 23 HB1 ALA 23 2.467 -4.748 9.270 188 HB2 ALA 23 HB2 ALA 23 1.175 -3.904 8.415 189 HB3 ALA 23 HB3 ALA 23 0.826 -5.394 9.291 190 H GLU 24 H GLU 24 0.311 -7.655 7.871 191 HA GLU 24 HA GLU 24 1.860 -9.383 9.386 192 HB2 GLU 24 HB2 GLU 24 0.008 -10.294 7.169 193 HB3 GLU 24 HB3 GLU 24 0.421 -11.166 8.639 194 HG2 GLU 24 HG2 GLU 24 -0.642 -8.644 9.382 195 HG3 GLU 24 HG3 GLU 24 -1.717 -9.367 8.187 196 H THR 25 H THR 25 1.921 -8.912 5.874 197 HA THR 25 HA THR 25 3.904 -11.076 5.559 198 HB THR 25 HB THR 25 2.303 -10.921 3.790 199 HG1 THR 25 HG1 THR 25 3.869 -10.096 2.030 200 HG21 THR 25 HG21 THR 25 1.425 -8.752 3.905 201 HG22 THR 25 HG22 THR 25 2.279 -8.782 2.362 202 HG23 THR 25 HG23 THR 25 3.015 -8.004 3.762 203 H ALA 26 H ALA 26 3.733 -7.573 5.736 204 HA ALA 26 HA ALA 26 6.308 -7.022 4.606 205 HB1 ALA 26 HB1 ALA 26 5.245 -5.269 6.760 206 HB2 ALA 26 HB2 ALA 26 5.902 -4.855 5.176 207 HB3 ALA 26 HB3 ALA 26 4.257 -5.477 5.314 208 H GLU 27 H GLU 27 5.218 -7.355 8.011 209 HA GLU 27 HA GLU 27 7.678 -6.903 9.265 210 HB2 GLU 27 HB2 GLU 27 5.303 -7.418 10.230 211 HB3 GLU 27 HB3 GLU 27 5.849 -9.089 10.228 212 HG2 GLU 27 HG2 GLU 27 7.940 -7.915 11.444 213 HG3 GLU 27 HG3 GLU 27 6.639 -6.838 11.949 214 H LYS 28 H LYS 28 6.413 -9.912 7.840 215 HA LYS 28 HA LYS 28 8.491 -11.632 8.709 216 HB2 LYS 28 HB2 LYS 28 6.284 -11.723 6.871 217 HB3 LYS 28 HB3 LYS 28 7.697 -12.429 6.098 218 HG2 LYS 28 HG2 LYS 28 7.016 -14.301 7.122 219 HG3 LYS 28 HG3 LYS 28 7.824 -13.603 8.528 220 HD2 LYS 28 HD2 LYS 28 5.889 -13.280 9.613 221 HD3 LYS 28 HD3 LYS 28 5.083 -12.658 8.170 222 HE2 LYS 28 HE2 LYS 28 4.197 -14.660 7.654 223 HE3 LYS 28 HE3 LYS 28 5.656 -15.536 8.113 224 HZ1 LYS 28 HZ1 LYS 28 4.837 -14.820 10.500 225 HZ2 LYS 28 HZ2 LYS 28 4.274 -16.228 9.751 226 HZ3 LYS 28 HZ3 LYS 28 3.331 -14.824 9.729 227 H ALA 29 H ALA 29 8.338 -9.298 6.079 228 HA ALA 29 HA ALA 29 10.756 -10.273 4.782 229 HB1 ALA 29 HB1 ALA 29 8.690 -8.426 4.191 230 HB2 ALA 29 HB2 ALA 29 10.217 -7.546 4.123 231 HB3 ALA 29 HB3 ALA 29 9.988 -8.992 3.140 232 H PHE 30 H PHE 30 9.935 -7.450 6.835 233 HA PHE 30 HA PHE 30 12.590 -6.403 6.906 234 HB2 PHE 30 HB2 PHE 30 10.241 -6.119 8.795 235 HB3 PHE 30 HB3 PHE 30 11.751 -5.239 9.005 236 HD1 PHE 30 HD1 PHE 30 12.407 -4.580 6.204 237 HD2 PHE 30 HD2 PHE 30 8.694 -4.467 8.282 238 HE1 PHE 30 HE1 PHE 30 11.604 -2.835 4.667 239 HE2 PHE 30 HE2 PHE 30 7.885 -2.722 6.747 240 HZ PHE 30 HZ PHE 30 9.340 -1.905 4.936 241 H LYS 31 H LYS 31 10.867 -8.737 8.954 242 HA LYS 31 HA LYS 31 12.624 -8.936 11.105 243 HB2 LYS 31 HB2 LYS 31 10.891 -10.917 9.667 244 HB3 LYS 31 HB3 LYS 31 11.980 -11.493 10.923 245 HG2 LYS 31 HG2 LYS 31 10.115 -9.214 11.450 246 HG3 LYS 31 HG3 LYS 31 9.557 -10.886 11.547 247 HD2 LYS 31 HD2 LYS 31 10.873 -11.361 13.374 248 HD3 LYS 31 HD3 LYS 31 12.055 -10.110 12.981 249 HE2 LYS 31 HE2 LYS 31 11.055 -8.995 14.662 250 HE3 LYS 31 HE3 LYS 31 9.864 -8.595 13.425 251 HZ1 LYS 31 HZ1 LYS 31 9.682 -10.555 15.609 252 HZ2 LYS 31 HZ2 LYS 31 8.780 -10.800 14.200 253 HZ3 LYS 31 HZ3 LYS 31 8.555 -9.395 15.114 254 H GLN 32 H GLN 32 12.925 -10.384 7.868 255 HA GLN 32 HA GLN 32 15.270 -11.927 8.493 256 HB2 GLN 32 HB2 GLN 32 13.556 -11.669 6.326 257 HB3 GLN 32 HB3 GLN 32 15.074 -11.023 5.717 258 HG2 GLN 32 HG2 GLN 32 16.075 -13.196 6.768 259 HG3 GLN 32 HG3 GLN 32 14.416 -13.777 6.632 260 HE21 GLN 32 HE21 GLN 32 16.480 -11.754 4.572 261 HE22 GLN 32 HE22 GLN 32 16.287 -12.711 3.147 262 H TYR 33 H TYR 33 14.753 -8.669 7.150 263 HA TYR 33 HA TYR 33 17.442 -8.108 6.474 264 HB2 TYR 33 HB2 TYR 33 15.311 -6.745 6.001 265 HB3 TYR 33 HB3 TYR 33 15.538 -6.050 7.602 266 HD1 TYR 33 HD2 TYR 33 17.361 -6.598 4.393 267 HD2 TYR 33 HD1 TYR 33 16.861 -4.158 7.842 268 HE1 TYR 33 HE2 TYR 33 18.927 -4.952 3.449 269 HE2 TYR 33 HE1 TYR 33 18.424 -2.505 6.908 270 HH TYR 33 HH TYR 33 19.171 -1.898 4.390 271 H ALA 34 H ALA 34 15.690 -7.028 9.422 272 HA ALA 34 HA ALA 34 17.917 -6.024 10.794 273 HB1 ALA 34 HB1 ALA 34 15.819 -7.473 12.346 274 HB2 ALA 34 HB2 ALA 34 16.550 -5.892 12.629 275 HB3 ALA 34 HB3 ALA 34 15.341 -6.090 11.360 276 H ASN 35 H ASN 35 16.523 -9.327 10.984 277 HA ASN 35 HA ASN 35 18.374 -10.376 12.833 278 HB2 ASN 35 HB2 ASN 35 16.599 -11.515 10.723 279 HB3 ASN 35 HB3 ASN 35 17.859 -12.564 11.365 280 HD21 ASN 35 HD21 ASN 35 16.168 -13.876 12.205 281 HD22 ASN 35 HD22 ASN 35 15.369 -13.440 13.673 282 H ASP 36 H ASP 36 18.461 -10.671 9.252 283 HA ASP 36 HA ASP 36 21.017 -11.884 9.131 284 HB2 ASP 36 HB2 ASP 36 19.156 -11.386 7.298 285 HB3 ASP 36 HB3 ASP 36 20.177 -9.988 6.972 286 H ASN 37 H ASN 37 20.082 -8.604 9.759 287 HA ASN 37 HA ASN 37 22.769 -7.563 9.117 288 HB2 ASN 37 HB2 ASN 37 20.132 -6.382 9.896 289 HB3 ASN 37 HB3 ASN 37 21.589 -5.457 10.247 290 HD21 ASN 37 HD21 ASN 37 19.227 -5.885 8.051 291 HD22 ASN 37 HD22 ASN 37 20.038 -5.344 6.624 292 H GLY 38 H GLY 38 21.151 -9.017 11.738 293 HA2 GLY 38 HA2 GLY 38 22.269 -9.601 13.752 294 HA3 GLY 38 HA3 GLY 38 23.426 -8.305 13.490 295 H VAL 39 H VAL 39 20.547 -6.914 12.846 296 HA VAL 39 HA VAL 39 20.427 -5.782 15.587 297 HB VAL 39 HB VAL 39 19.211 -4.875 12.968 298 HG11 VAL 39 HG11 VAL 39 17.615 -4.159 14.482 299 HG12 VAL 39 HG12 VAL 39 18.796 -3.914 15.770 300 HG13 VAL 39 HG13 VAL 39 18.714 -2.782 14.420 301 HG21 VAL 39 HG21 VAL 39 20.840 -3.245 12.895 302 HG22 VAL 39 HG22 VAL 39 21.134 -3.309 14.633 303 HG23 VAL 39 HG23 VAL 39 21.732 -4.598 13.589 304 H ASP 40 H ASP 40 18.817 -6.130 16.975 305 HA ASP 40 HA ASP 40 16.161 -6.900 16.053 306 HB2 ASP 40 HB2 ASP 40 17.365 -9.067 15.925 307 HB3 ASP 40 HB3 ASP 40 17.781 -8.923 17.631 308 H GLY 41 H GLY 41 14.624 -6.356 17.505 309 HA2 GLY 41 HA2 GLY 41 15.045 -6.325 20.335 310 HA3 GLY 41 HA3 GLY 41 15.295 -4.708 19.694 311 H VAL 42 H VAL 42 13.583 -3.493 20.105 312 HA VAL 42 HA VAL 42 10.912 -4.754 20.145 313 HB VAL 42 HB VAL 42 10.126 -2.585 20.979 314 HG11 VAL 42 HG11 VAL 42 10.776 -3.081 23.063 315 HG12 VAL 42 HG12 VAL 42 11.687 -4.394 22.314 316 HG13 VAL 42 HG13 VAL 42 12.484 -2.863 22.682 317 HG21 VAL 42 HG21 VAL 42 11.529 -1.064 19.776 318 HG22 VAL 42 HG22 VAL 42 11.805 -0.813 21.500 319 HG23 VAL 42 HG23 VAL 42 12.978 -1.715 20.541 320 H TRP 43 H TRP 43 9.397 -4.567 18.619 321 HA TRP 43 HA TRP 43 10.071 -2.820 16.290 322 HB2 TRP 43 HB2 TRP 43 8.384 -5.333 16.484 323 HB3 TRP 43 HB3 TRP 43 8.490 -4.331 15.039 324 HD1 TRP 43 HD1 TRP 43 11.166 -5.910 17.387 325 HE1 TRP 43 HE1 TRP 43 12.948 -7.026 15.902 326 HE3 TRP 43 HE3 TRP 43 9.181 -4.843 12.799 327 HZ2 TRP 43 HZ2 TRP 43 13.446 -7.404 13.149 328 HZ3 TRP 43 HZ3 TRP 43 10.372 -5.617 10.789 329 HH2 TRP 43 HH2 TRP 43 12.461 -6.870 10.963 330 H THR 44 H THR 44 8.277 -1.809 15.139 331 HA THR 44 HA THR 44 5.852 -1.390 16.806 332 HB THR 44 HB THR 44 6.060 1.117 16.187 333 HG1 THR 44 HG1 THR 44 8.721 0.193 15.816 334 HG21 THR 44 HG21 THR 44 8.143 0.454 18.186 335 HG22 THR 44 HG22 THR 44 6.537 -0.222 18.458 336 HG23 THR 44 HG23 THR 44 6.748 1.523 18.316 337 H TYR 45 H TYR 45 4.035 -1.352 15.646 338 HA TYR 45 HA TYR 45 4.333 -0.979 12.691 339 HB2 TYR 45 HB2 TYR 45 3.749 -3.258 13.075 340 HB3 TYR 45 HB3 TYR 45 2.535 -2.827 14.275 341 HD1 TYR 45 HD2 TYR 45 3.005 -1.226 10.965 342 HD2 TYR 45 HD1 TYR 45 0.627 -3.846 13.328 343 HE1 TYR 45 HE2 TYR 45 1.279 -1.231 9.213 344 HE2 TYR 45 HE1 TYR 45 -1.105 -3.859 11.582 345 HH TYR 45 HH TYR 45 -0.595 -2.281 8.477 346 H ASP 46 H ASP 46 3.303 0.684 11.834 347 HA ASP 46 HA ASP 46 0.906 1.728 13.284 348 HB2 ASP 46 HB2 ASP 46 2.707 3.250 13.783 349 HB3 ASP 46 HB3 ASP 46 3.197 3.314 12.092 350 H ASP 47 H ASP 47 -0.748 1.217 12.007 351 HA ASP 47 HA ASP 47 -0.461 1.063 9.120 352 HB2 ASP 47 HB2 ASP 47 -2.841 0.537 9.127 353 HB3 ASP 47 HB3 ASP 47 -2.031 -0.364 10.406 354 H ALA 48 H ALA 48 -0.522 3.662 11.105 355 HA ALA 48 HA ALA 48 -2.424 5.323 9.633 356 HB1 ALA 48 HB1 ALA 48 -0.288 6.408 11.437 357 HB2 ALA 48 HB2 ALA 48 -1.932 6.990 11.167 358 HB3 ALA 48 HB3 ALA 48 -1.659 5.523 12.106 359 H THR 49 H THR 49 1.141 5.132 9.935 360 HA THR 49 HA THR 49 1.298 6.449 7.259 361 HB THR 49 HB THR 49 1.857 8.142 8.938 362 HG1 THR 49 HG1 THR 49 3.566 8.802 7.812 363 HG21 THR 49 HG21 THR 49 3.448 5.937 10.060 364 HG22 THR 49 HG22 THR 49 2.709 7.325 10.860 365 HG23 THR 49 HG23 THR 49 4.258 7.503 10.037 366 H LYS 50 H LYS 50 1.420 3.629 8.124 367 HA LYS 50 HA LYS 50 2.857 1.795 8.046 368 HB2 LYS 50 HB2 LYS 50 3.926 3.125 5.558 369 HB3 LYS 50 HB3 LYS 50 3.619 1.417 5.846 370 HG2 LYS 50 HG2 LYS 50 1.503 3.545 5.586 371 HG3 LYS 50 HG3 LYS 50 1.987 2.416 4.318 372 HD2 LYS 50 HD2 LYS 50 0.675 0.819 5.151 373 HD3 LYS 50 HD3 LYS 50 1.370 1.012 6.762 374 HE2 LYS 50 HE2 LYS 50 -0.200 2.643 7.365 375 HE3 LYS 50 HE3 LYS 50 -0.667 2.938 5.690 376 HZ1 LYS 50 HZ1 LYS 50 -2.208 1.367 5.814 377 HZ2 LYS 50 HZ2 LYS 50 -1.925 1.277 7.479 378 HZ3 LYS 50 HZ3 LYS 50 -1.116 0.228 6.426 379 H THR 51 H THR 51 3.958 3.611 9.796 380 HA THR 51 HA THR 51 6.846 3.669 9.037 381 HB THR 51 HB THR 51 5.331 5.190 11.176 382 HG1 THR 51 HG1 THR 51 6.704 6.038 8.823 383 HG21 THR 51 HG21 THR 51 7.502 4.674 12.065 384 HG22 THR 51 HG22 THR 51 7.512 6.357 11.538 385 HG23 THR 51 HG23 THR 51 8.281 5.118 10.547 386 H PHE 52 H PHE 52 8.233 2.315 9.952 387 HA PHE 52 HA PHE 52 7.343 0.938 12.455 388 HB2 PHE 52 HB2 PHE 52 9.057 -0.156 10.203 389 HB3 PHE 52 HB3 PHE 52 8.670 -1.009 11.694 390 HD1 PHE 52 HD1 PHE 52 7.107 0.552 8.709 391 HD2 PHE 52 HD2 PHE 52 6.755 -2.314 11.836 392 HE1 PHE 52 HE1 PHE 52 5.062 -0.332 7.664 393 HE2 PHE 52 HE2 PHE 52 4.710 -3.203 10.797 394 HZ PHE 52 HZ PHE 52 3.861 -2.213 8.707 395 H THR 53 H THR 53 9.119 0.128 13.832 396 HA THR 53 HA THR 53 11.634 1.687 13.535 397 HB THR 53 HB THR 53 10.217 1.574 16.198 398 HG1 THR 53 HG1 THR 53 8.892 2.744 14.738 399 HG21 THR 53 HG21 THR 53 12.714 2.052 15.958 400 HG22 THR 53 HG22 THR 53 11.760 3.225 16.867 401 HG23 THR 53 HG23 THR 53 12.234 3.572 15.205 402 H VAL 54 H VAL 54 13.435 0.651 14.211 403 HA VAL 54 HA VAL 54 13.035 -1.892 15.732 404 HB VAL 54 HB VAL 54 14.780 -1.496 13.289 405 HG11 VAL 54 HG11 VAL 54 14.781 -3.600 15.409 406 HG12 VAL 54 HG12 VAL 54 15.190 -4.029 13.746 407 HG13 VAL 54 HG13 VAL 54 16.140 -2.816 14.604 408 HG21 VAL 54 HG21 VAL 54 13.434 -3.457 12.471 409 HG22 VAL 54 HG22 VAL 54 12.378 -3.221 13.864 410 HG23 VAL 54 HG23 VAL 54 12.535 -1.951 12.650 411 H THR 55 H THR 55 14.247 -2.038 17.490 412 HA THR 55 HA THR 55 16.644 -0.251 17.649 413 HB THR 55 HB THR 55 15.592 -1.272 20.196 414 HG1 THR 55 HG1 THR 55 13.797 0.238 20.129 415 HG21 THR 55 HG21 THR 55 17.179 0.816 19.305 416 HG22 THR 55 HG22 THR 55 16.561 0.601 20.943 417 HG23 THR 55 HG23 THR 55 15.680 1.606 19.793 418 H GLU 56 H GLU 56 17.904 -1.208 19.839 419 HA GLU 56 HA GLU 56 18.536 -4.026 19.051 420 HB2 GLU 56 HB2 GLU 56 20.265 -1.673 19.617 421 HB3 GLU 56 HB3 GLU 56 20.818 -3.221 20.240 422 HG2 GLU 56 HG2 GLU 56 19.937 -3.437 17.498 423 HG3 GLU 56 HG3 GLU 56 21.196 -2.218 17.686 Start of MODEL 54 1 H1 MET 1 H MET 1 -0.808 0.083 0.533 2 HA MET 1 HA MET 1 1.312 -1.093 0.551 3 HB2 MET 1 HB2 MET 1 1.088 0.526 -1.992 4 HB3 MET 1 HB3 MET 1 1.938 -1.002 -1.800 5 HG2 MET 1 HG2 MET 1 0.084 -2.183 -2.102 6 HG3 MET 1 HG3 MET 1 -0.829 -1.187 -0.971 7 HE1 MET 1 HE1 MET 1 -2.506 -2.250 -3.673 8 HE2 MET 1 HE2 MET 1 -1.769 -1.612 -5.142 9 HE3 MET 1 HE3 MET 1 -0.826 -2.629 -4.053 10 H GLN 2 H GLN 2 3.644 -0.908 -0.303 11 HA GLN 2 HA GLN 2 5.719 0.048 -0.086 12 HB2 GLN 2 HB2 GLN 2 4.188 2.018 -1.267 13 HB3 GLN 2 HB3 GLN 2 4.872 2.851 0.124 14 HG2 GLN 2 HG2 GLN 2 7.108 1.799 -0.704 15 HG3 GLN 2 HG3 GLN 2 6.246 1.659 -2.235 16 HE21 GLN 2 HE21 GLN 2 5.492 3.569 -3.250 17 HE22 GLN 2 HE22 GLN 2 6.229 5.096 -2.920 18 H TYR 3 H TYR 3 6.718 -0.279 1.773 19 HA TYR 3 HA TYR 3 5.933 1.448 4.077 20 HB2 TYR 3 HB2 TYR 3 6.477 -1.535 4.166 21 HB3 TYR 3 HB3 TYR 3 6.292 -0.506 5.582 22 HD1 TYR 3 HD1 TYR 3 4.486 -1.572 2.499 23 HD2 TYR 3 HD2 TYR 3 4.185 -0.203 6.517 24 HE1 TYR 3 HE1 TYR 3 2.054 -1.928 2.432 25 HE2 TYR 3 HE2 TYR 3 1.751 -0.557 6.460 26 HH TYR 3 HH TYR 3 -0.045 -0.629 4.222 27 H LYS 4 H LYS 4 7.572 2.147 5.387 28 HA LYS 4 HA LYS 4 10.316 1.486 4.398 29 HB2 LYS 4 HB2 LYS 4 10.135 3.765 4.083 30 HB3 LYS 4 HB3 LYS 4 9.049 3.984 5.449 31 HG2 LYS 4 HG2 LYS 4 10.755 4.135 6.962 32 HG3 LYS 4 HG3 LYS 4 11.855 3.160 5.985 33 HD2 LYS 4 HD2 LYS 4 12.572 5.488 6.033 34 HD3 LYS 4 HD3 LYS 4 12.087 5.017 4.402 35 HE2 LYS 4 HE2 LYS 4 10.508 6.585 4.345 36 HE3 LYS 4 HE3 LYS 4 9.841 6.050 5.887 37 HZ1 LYS 4 HZ1 LYS 4 10.740 7.788 6.895 38 HZ2 LYS 4 HZ2 LYS 4 11.211 8.392 5.387 39 HZ3 LYS 4 HZ3 LYS 4 12.279 7.436 6.286 40 H LEU 5 H LEU 5 11.885 0.814 5.778 41 HA LEU 5 HA LEU 5 11.023 0.436 8.619 42 HB2 LEU 5 HB2 LEU 5 11.169 -1.722 7.848 43 HB3 LEU 5 HB3 LEU 5 12.445 -1.344 6.693 44 HG LEU 5 HG LEU 5 14.074 -1.258 8.516 45 HD11 LEU 5 HD11 LEU 5 12.473 -2.523 10.549 46 HD12 LEU 5 HD12 LEU 5 11.826 -0.936 10.133 47 HD13 LEU 5 HD13 LEU 5 13.503 -1.095 10.654 48 HD21 LEU 5 HD21 LEU 5 12.913 -3.496 7.413 49 HD22 LEU 5 HD22 LEU 5 12.882 -3.840 9.143 50 HD23 LEU 5 HD23 LEU 5 14.409 -3.458 8.346 51 H VAL 6 H VAL 6 12.013 1.899 9.839 52 HA VAL 6 HA VAL 6 14.744 2.777 9.108 53 HB VAL 6 HB VAL 6 12.887 3.725 11.308 54 HG11 VAL 6 HG11 VAL 6 15.510 4.859 10.340 55 HG12 VAL 6 HG12 VAL 6 14.437 5.613 11.521 56 HG13 VAL 6 HG13 VAL 6 15.222 4.078 11.895 57 HG21 VAL 6 HG21 VAL 6 13.494 5.639 9.244 58 HG22 VAL 6 HG22 VAL 6 12.788 4.179 8.550 59 HG23 VAL 6 HG23 VAL 6 11.927 5.062 9.810 60 H ILE 7 H ILE 7 16.525 1.983 9.989 61 HA ILE 7 HA ILE 7 16.214 0.272 12.409 62 HB ILE 7 HB ILE 7 18.575 0.467 10.523 63 HG12 ILE 7 HG12 ILE 7 16.442 -1.673 10.655 64 HG13 ILE 7 HG13 ILE 7 16.481 -0.390 9.451 65 HG21 ILE 7 HG21 ILE 7 18.475 -2.005 11.860 66 HG22 ILE 7 HG22 ILE 7 19.651 -0.708 12.067 67 HG23 ILE 7 HG23 ILE 7 18.209 -0.761 13.081 68 HD11 ILE 7 HD11 ILE 7 17.756 -1.671 8.185 69 HD12 ILE 7 HD12 ILE 7 19.013 -1.615 9.420 70 HD13 ILE 7 HD13 ILE 7 17.811 -2.905 9.443 71 H ASN 8 H ASN 8 16.408 1.468 14.204 72 HA ASN 8 HA ASN 8 18.557 3.524 14.285 73 HB2 ASN 8 HB2 ASN 8 15.977 3.685 15.110 74 HB3 ASN 8 HB3 ASN 8 16.745 3.170 16.609 75 HD21 ASN 8 HD21 ASN 8 18.975 4.409 16.874 76 HD22 ASN 8 HD22 ASN 8 18.825 6.126 16.757 77 H GLY 9 H GLY 9 19.740 1.164 14.212 78 HA2 GLY 9 HA2 GLY 9 20.001 -0.112 16.788 79 HA3 GLY 9 HA3 GLY 9 21.060 -0.328 15.402 80 H LYS 10 H LYS 10 22.745 -0.456 17.064 81 HA LYS 10 HA LYS 10 23.379 2.037 18.471 82 HB2 LYS 10 HB2 LYS 10 24.688 -0.674 18.266 83 HB3 LYS 10 HB3 LYS 10 25.496 0.675 19.052 84 HG2 LYS 10 HG2 LYS 10 23.461 0.885 20.523 85 HG3 LYS 10 HG3 LYS 10 22.923 -0.656 19.850 86 HD2 LYS 10 HD2 LYS 10 25.370 -1.395 20.537 87 HD3 LYS 10 HD3 LYS 10 25.193 -0.063 21.681 88 HE2 LYS 10 HE2 LYS 10 23.577 -1.126 22.878 89 HE3 LYS 10 HE3 LYS 10 22.934 -1.967 21.468 90 HZ1 LYS 10 HZ1 LYS 10 24.164 -3.318 23.242 91 HZ2 LYS 10 HZ2 LYS 10 25.577 -2.678 22.568 92 HZ3 LYS 10 HZ3 LYS 10 24.535 -3.613 21.618 93 H THR 11 H THR 11 25.020 0.007 16.003 94 HA THR 11 HA THR 11 26.469 2.484 15.150 95 HB THR 11 HB THR 11 28.265 1.074 14.342 96 HG1 THR 11 HG1 THR 11 27.162 -0.776 13.712 97 HG21 THR 11 HG21 THR 11 27.957 1.657 16.868 98 HG22 THR 11 HG22 THR 11 29.214 0.521 16.380 99 HG23 THR 11 HG23 THR 11 27.694 -0.078 17.043 100 H LEU 12 H LEU 12 25.164 -0.636 13.945 101 HA LEU 12 HA LEU 12 25.261 0.168 11.185 102 HB2 LEU 12 HB2 LEU 12 25.204 -2.168 11.887 103 HB3 LEU 12 HB3 LEU 12 23.595 -1.943 12.570 104 HG LEU 12 HG LEU 12 22.616 -1.733 10.417 105 HD11 LEU 12 HD11 LEU 12 23.955 -0.443 9.088 106 HD12 LEU 12 HD12 LEU 12 24.284 -2.036 8.407 107 HD13 LEU 12 HD13 LEU 12 25.426 -1.308 9.536 108 HD21 LEU 12 HD21 LEU 12 23.357 -3.852 9.308 109 HD22 LEU 12 HD22 LEU 12 22.970 -4.012 11.022 110 HD23 LEU 12 HD23 LEU 12 24.654 -3.950 10.500 111 H LYS 13 H LYS 13 24.095 1.678 10.232 112 HA LYS 13 HA LYS 13 21.229 1.921 11.021 113 HB2 LYS 13 HB2 LYS 13 22.921 4.340 10.392 114 HB3 LYS 13 HB3 LYS 13 21.326 4.282 11.129 115 HG2 LYS 13 HG2 LYS 13 22.608 2.947 13.001 116 HG3 LYS 13 HG3 LYS 13 23.997 3.814 12.340 117 HD2 LYS 13 HD2 LYS 13 23.370 5.714 13.321 118 HD3 LYS 13 HD3 LYS 13 21.730 5.574 12.681 119 HE2 LYS 13 HE2 LYS 13 20.928 4.787 14.618 120 HE3 LYS 13 HE3 LYS 13 22.295 3.697 14.843 121 HZ1 LYS 13 HZ1 LYS 13 23.560 5.822 15.457 122 HZ2 LYS 13 HZ2 LYS 13 22.483 5.180 16.592 123 HZ3 LYS 13 HZ3 LYS 13 22.031 6.518 15.662 124 H GLY 14 H GLY 14 19.809 2.605 9.391 125 HA2 GLY 14 HA2 GLY 14 20.565 3.526 6.839 126 HA3 GLY 14 HA3 GLY 14 20.560 1.771 6.755 127 H GLU 15 H GLU 15 18.894 2.615 5.057 128 HA GLU 15 HA GLU 15 16.243 2.406 6.410 129 HB2 GLU 15 HB2 GLU 15 17.202 4.492 4.505 130 HB3 GLU 15 HB3 GLU 15 15.551 3.919 4.313 131 HG2 GLU 15 HG2 GLU 15 14.851 5.115 6.039 132 HG3 GLU 15 HG3 GLU 15 16.129 4.487 7.077 133 H THR 16 H THR 16 15.104 0.749 5.691 134 HA THR 16 HA THR 16 15.738 -0.265 2.947 135 HB THR 16 HB THR 16 16.433 -1.949 4.457 136 HG1 THR 16 HG1 THR 16 15.156 -2.825 2.812 137 HG21 THR 16 HG21 THR 16 14.286 -0.928 6.102 138 HG22 THR 16 HG22 THR 16 15.697 -1.880 6.563 139 HG23 THR 16 HG23 THR 16 14.232 -2.687 6.003 140 H THR 17 H THR 17 14.182 0.666 1.721 141 HA THR 17 HA THR 17 11.375 0.512 2.688 142 HB THR 17 HB THR 17 10.815 2.113 1.033 143 HG1 THR 17 HG1 THR 17 13.176 1.224 -0.186 144 HG21 THR 17 HG21 THR 17 11.849 3.860 1.991 145 HG22 THR 17 HG22 THR 17 13.445 3.308 1.481 146 HG23 THR 17 HG23 THR 17 12.711 2.654 2.945 147 H THR 18 H THR 18 9.751 -0.550 1.608 148 HA THR 18 HA THR 18 10.355 -1.931 -0.915 149 HB THR 18 HB THR 18 11.224 -3.449 0.922 150 HG1 THR 18 HG1 THR 18 10.510 -5.199 -0.195 151 HG21 THR 18 HG21 THR 18 9.850 -4.403 2.490 152 HG22 THR 18 HG22 THR 18 8.405 -4.218 1.496 153 HG23 THR 18 HG23 THR 18 9.079 -2.825 2.341 154 H LYS 19 H LYS 19 8.336 -3.656 -1.167 155 HA LYS 19 HA LYS 19 5.911 -2.001 -0.588 156 HB2 LYS 19 HB2 LYS 19 5.033 -2.515 -2.718 157 HB3 LYS 19 HB3 LYS 19 6.716 -2.100 -3.013 158 HG2 LYS 19 HG2 LYS 19 6.740 -4.845 -2.594 159 HG3 LYS 19 HG3 LYS 19 5.295 -4.550 -3.564 160 HD2 LYS 19 HD2 LYS 19 7.973 -3.377 -4.272 161 HD3 LYS 19 HD3 LYS 19 7.469 -4.977 -4.824 162 HE2 LYS 19 HE2 LYS 19 6.316 -4.054 -6.481 163 HE3 LYS 19 HE3 LYS 19 5.347 -3.150 -5.318 164 HZ1 LYS 19 HZ1 LYS 19 7.880 -2.299 -6.602 165 HZ2 LYS 19 HZ2 LYS 19 7.184 -1.479 -5.297 166 HZ3 LYS 19 HZ3 LYS 19 6.352 -1.592 -6.765 167 H ALA 20 H ALA 20 3.982 -3.064 -0.099 168 HA ALA 20 HA ALA 20 3.832 -5.959 -0.062 169 HB1 ALA 20 HB1 ALA 20 3.647 -6.183 2.408 170 HB2 ALA 20 HB2 ALA 20 5.267 -5.754 1.859 171 HB3 ALA 20 HB3 ALA 20 4.223 -4.523 2.569 172 H VAL 21 H VAL 21 1.759 -6.710 0.269 173 HA VAL 21 HA VAL 21 -0.355 -4.881 -0.233 174 HB VAL 21 HB VAL 21 -1.862 -6.782 0.377 175 HG11 VAL 21 HG11 VAL 21 -1.064 -6.593 -1.882 176 HG12 VAL 21 HG12 VAL 21 0.455 -7.383 -1.456 177 HG13 VAL 21 HG13 VAL 21 -1.055 -8.294 -1.418 178 HG21 VAL 21 HG21 VAL 21 0.748 -8.074 1.140 179 HG22 VAL 21 HG22 VAL 21 -0.679 -7.837 2.149 180 HG23 VAL 21 HG23 VAL 21 -0.725 -8.986 0.812 181 H ASP 22 H ASP 22 0.804 -6.373 2.786 182 HA ASP 22 HA ASP 22 -0.454 -4.195 4.301 183 HB2 ASP 22 HB2 ASP 22 -1.716 -5.688 5.793 184 HB3 ASP 22 HB3 ASP 22 -2.300 -5.809 4.136 185 H ALA 23 H ALA 23 0.072 -4.354 6.662 186 HA ALA 23 HA ALA 23 2.876 -4.780 6.967 187 HB1 ALA 23 HB1 ALA 23 2.285 -4.548 9.459 188 HB2 ALA 23 HB2 ALA 23 1.918 -3.193 8.390 189 HB3 ALA 23 HB3 ALA 23 0.631 -4.284 8.906 190 H GLU 24 H GLU 24 0.118 -6.880 7.366 191 HA GLU 24 HA GLU 24 1.111 -8.775 9.180 192 HB2 GLU 24 HB2 GLU 24 -1.132 -8.978 8.425 193 HB3 GLU 24 HB3 GLU 24 -0.644 -9.066 6.739 194 HG2 GLU 24 HG2 GLU 24 -0.392 -11.269 6.824 195 HG3 GLU 24 HG3 GLU 24 0.531 -11.187 8.324 196 H THR 25 H THR 25 1.537 -8.675 5.625 197 HA THR 25 HA THR 25 3.487 -10.890 5.815 198 HB THR 25 HB THR 25 1.799 -10.799 3.965 199 HG1 THR 25 HG1 THR 25 3.625 -10.999 2.280 200 HG21 THR 25 HG21 THR 25 3.501 -8.592 2.820 201 HG22 THR 25 HG22 THR 25 1.986 -8.293 3.672 202 HG23 THR 25 HG23 THR 25 1.990 -9.239 2.184 203 H ALA 26 H ALA 26 3.357 -7.412 5.368 204 HA ALA 26 HA ALA 26 5.981 -7.062 4.285 205 HB1 ALA 26 HB1 ALA 26 3.988 -5.398 4.536 206 HB2 ALA 26 HB2 ALA 26 4.729 -5.030 6.094 207 HB3 ALA 26 HB3 ALA 26 5.645 -4.799 4.605 208 H GLU 27 H GLU 27 4.759 -6.855 7.652 209 HA GLU 27 HA GLU 27 7.149 -6.207 8.934 210 HB2 GLU 27 HB2 GLU 27 5.094 -6.312 10.169 211 HB3 GLU 27 HB3 GLU 27 4.896 -8.023 9.821 212 HG2 GLU 27 HG2 GLU 27 6.564 -8.648 11.315 213 HG3 GLU 27 HG3 GLU 27 7.263 -7.031 11.357 214 H LYS 28 H LYS 28 5.896 -9.517 8.324 215 HA LYS 28 HA LYS 28 8.101 -10.926 9.347 216 HB2 LYS 28 HB2 LYS 28 6.040 -12.035 8.704 217 HB3 LYS 28 HB3 LYS 28 6.288 -11.609 7.015 218 HG2 LYS 28 HG2 LYS 28 8.195 -13.062 6.872 219 HG3 LYS 28 HG3 LYS 28 8.117 -13.396 8.604 220 HD2 LYS 28 HD2 LYS 28 5.660 -13.938 7.055 221 HD3 LYS 28 HD3 LYS 28 7.035 -14.995 6.731 222 HE2 LYS 28 HE2 LYS 28 6.552 -16.141 8.570 223 HE3 LYS 28 HE3 LYS 28 6.871 -14.697 9.530 224 HZ1 LYS 28 HZ1 LYS 28 4.700 -15.379 10.061 225 HZ2 LYS 28 HZ2 LYS 28 4.276 -15.618 8.441 226 HZ3 LYS 28 HZ3 LYS 28 4.507 -14.050 9.032 227 H ALA 29 H ALA 29 7.674 -9.329 6.225 228 HA ALA 29 HA ALA 29 10.006 -10.498 4.992 229 HB1 ALA 29 HB1 ALA 29 7.897 -8.922 4.156 230 HB2 ALA 29 HB2 ALA 29 9.286 -7.842 4.024 231 HB3 ALA 29 HB3 ALA 29 9.292 -9.394 3.185 232 H PHE 30 H PHE 30 9.416 -7.646 6.998 233 HA PHE 30 HA PHE 30 12.075 -6.547 6.534 234 HB2 PHE 30 HB2 PHE 30 9.951 -5.910 8.602 235 HB3 PHE 30 HB3 PHE 30 11.444 -5.000 8.397 236 HD1 PHE 30 HD2 PHE 30 11.852 -4.325 5.806 237 HD2 PHE 30 HD1 PHE 30 8.082 -4.992 7.666 238 HE1 PHE 30 HE2 PHE 30 10.765 -2.926 4.098 239 HE2 PHE 30 HE1 PHE 30 6.989 -3.595 5.960 240 HZ PHE 30 HZ PHE 30 8.331 -2.560 4.174 241 H LYS 31 H LYS 31 10.516 -8.635 8.912 242 HA LYS 31 HA LYS 31 12.536 -8.504 10.919 243 HB2 LYS 31 HB2 LYS 31 10.159 -9.579 10.943 244 HB3 LYS 31 HB3 LYS 31 10.977 -11.013 10.336 245 HG2 LYS 31 HG2 LYS 31 12.068 -11.396 12.298 246 HG3 LYS 31 HG3 LYS 31 12.095 -9.689 12.746 247 HD2 LYS 31 HD2 LYS 31 9.437 -10.981 12.580 248 HD3 LYS 31 HD3 LYS 31 10.482 -11.483 13.912 249 HE2 LYS 31 HE2 LYS 31 10.562 -8.633 13.649 250 HE3 LYS 31 HE3 LYS 31 8.884 -9.167 13.729 251 HZ1 LYS 31 HZ1 LYS 31 9.343 -10.312 15.771 252 HZ2 LYS 31 HZ2 LYS 31 9.860 -8.709 15.923 253 HZ3 LYS 31 HZ3 LYS 31 10.991 -9.942 15.673 254 H GLN 32 H GLN 32 12.570 -9.851 7.774 255 HA GLN 32 HA GLN 32 14.627 -11.857 8.412 256 HB2 GLN 32 HB2 GLN 32 12.724 -11.732 6.478 257 HB3 GLN 32 HB3 GLN 32 14.113 -11.118 5.590 258 HG2 GLN 32 HG2 GLN 32 15.144 -13.313 6.862 259 HG3 GLN 32 HG3 GLN 32 13.500 -13.822 6.476 260 HE21 GLN 32 HE21 GLN 32 16.134 -12.014 4.922 261 HE22 GLN 32 HE22 GLN 32 16.013 -12.817 3.397 262 H TYR 33 H TYR 33 14.560 -8.550 7.977 263 HA TYR 33 HA TYR 33 17.168 -8.433 6.579 264 HB2 TYR 33 HB2 TYR 33 15.172 -6.840 6.172 265 HB3 TYR 33 HB3 TYR 33 15.643 -6.074 7.685 266 HD1 TYR 33 HD1 TYR 33 17.208 -7.194 4.477 267 HD2 TYR 33 HD2 TYR 33 17.070 -4.268 7.563 268 HE1 TYR 33 HE1 TYR 33 18.877 -5.850 3.269 269 HE2 TYR 33 HE2 TYR 33 18.738 -2.915 6.363 270 HH TYR 33 HH TYR 33 19.685 -2.616 4.242 271 H ALA 34 H ALA 34 15.813 -6.828 9.494 272 HA ALA 34 HA ALA 34 18.217 -6.085 10.672 273 HB1 ALA 34 HB1 ALA 34 15.744 -5.721 11.408 274 HB2 ALA 34 HB2 ALA 34 16.013 -7.157 12.397 275 HB3 ALA 34 HB3 ALA 34 17.024 -5.730 12.621 276 H ASN 35 H ASN 35 16.482 -9.193 11.089 277 HA ASN 35 HA ASN 35 18.296 -10.345 12.931 278 HB2 ASN 35 HB2 ASN 35 16.105 -11.317 12.420 279 HB3 ASN 35 HB3 ASN 35 16.631 -11.699 10.784 280 HD21 ASN 35 HD21 ASN 35 15.902 -13.857 11.523 281 HD22 ASN 35 HD22 ASN 35 17.057 -14.867 12.317 282 H ASP 36 H ASP 36 18.408 -10.065 9.412 283 HA ASP 36 HA ASP 36 20.749 -11.828 9.222 284 HB2 ASP 36 HB2 ASP 36 18.791 -11.158 7.458 285 HB3 ASP 36 HB3 ASP 36 20.064 -10.053 6.949 286 H ASN 37 H ASN 37 20.070 -8.457 9.681 287 HA ASN 37 HA ASN 37 22.792 -7.658 8.856 288 HB2 ASN 37 HB2 ASN 37 20.328 -6.183 9.770 289 HB3 ASN 37 HB3 ASN 37 21.894 -5.378 9.741 290 HD21 ASN 37 HD21 ASN 37 19.283 -6.615 7.885 291 HD22 ASN 37 HD22 ASN 37 19.831 -6.065 6.342 292 H GLY 38 H GLY 38 21.229 -8.856 11.613 293 HA2 GLY 38 HA2 GLY 38 22.359 -9.350 13.635 294 HA3 GLY 38 HA3 GLY 38 23.602 -8.176 13.232 295 H VAL 39 H VAL 39 20.364 -7.109 12.824 296 HA VAL 39 HA VAL 39 20.657 -5.493 15.320 297 HB VAL 39 HB VAL 39 19.013 -4.947 12.834 298 HG11 VAL 39 HG11 VAL 39 18.903 -2.632 14.059 299 HG12 VAL 39 HG12 VAL 39 17.762 -3.916 14.464 300 HG13 VAL 39 HG13 VAL 39 19.159 -3.617 15.499 301 HG21 VAL 39 HG21 VAL 39 20.685 -3.658 12.067 302 HG22 VAL 39 HG22 VAL 39 21.094 -3.057 13.674 303 HG23 VAL 39 HG23 VAL 39 21.695 -4.626 13.141 304 H ASP 40 H ASP 40 19.395 -5.952 16.979 305 HA ASP 40 HA ASP 40 16.643 -6.924 16.448 306 HB2 ASP 40 HB2 ASP 40 18.112 -8.933 16.746 307 HB3 ASP 40 HB3 ASP 40 18.518 -8.351 18.358 308 H GLY 41 H GLY 41 15.198 -6.702 18.246 309 HA2 GLY 41 HA2 GLY 41 15.651 -5.856 20.790 310 HA3 GLY 41 HA3 GLY 41 15.933 -4.378 19.882 311 H VAL 42 H VAL 42 14.265 -3.074 19.571 312 HA VAL 42 HA VAL 42 11.583 -4.092 20.263 313 HB VAL 42 HB VAL 42 12.524 -1.301 19.554 314 HG11 VAL 42 HG11 VAL 42 9.849 -2.446 20.117 315 HG12 VAL 42 HG12 VAL 42 10.227 -0.876 20.828 316 HG13 VAL 42 HG13 VAL 42 10.310 -1.097 19.079 317 HG21 VAL 42 HG21 VAL 42 13.253 -1.195 21.648 318 HG22 VAL 42 HG22 VAL 42 11.609 -1.488 22.215 319 HG23 VAL 42 HG23 VAL 42 12.707 -2.843 21.953 320 H TRP 43 H TRP 43 9.790 -4.074 18.927 321 HA TRP 43 HA TRP 43 10.317 -3.480 16.051 322 HB2 TRP 43 HB2 TRP 43 9.449 -6.059 17.281 323 HB3 TRP 43 HB3 TRP 43 8.690 -5.587 15.763 324 HD1 TRP 43 HD1 TRP 43 11.974 -6.827 17.207 325 HE1 TRP 43 HE1 TRP 43 13.577 -7.401 15.277 326 HE3 TRP 43 HE3 TRP 43 9.279 -4.901 13.313 327 HZ2 TRP 43 HZ2 TRP 43 13.685 -7.079 12.475 328 HZ3 TRP 43 HZ3 TRP 43 10.203 -5.074 11.039 329 HH2 TRP 43 HH2 TRP 43 12.361 -6.141 10.631 330 H THR 44 H THR 44 9.139 -1.574 16.199 331 HA THR 44 HA THR 44 6.248 -1.924 16.875 332 HB THR 44 HB THR 44 6.228 0.588 17.037 333 HG1 THR 44 HG1 THR 44 8.541 1.359 17.455 334 HG21 THR 44 HG21 THR 44 8.075 0.301 19.101 335 HG22 THR 44 HG22 THR 44 7.426 -1.320 18.854 336 HG23 THR 44 HG23 THR 44 6.337 0.024 19.195 337 H TYR 45 H TYR 45 4.696 -0.658 15.596 338 HA TYR 45 HA TYR 45 5.491 0.349 13.002 339 HB2 TYR 45 HB2 TYR 45 5.160 -1.418 11.650 340 HB3 TYR 45 HB3 TYR 45 5.263 -2.411 13.100 341 HD1 TYR 45 HD2 TYR 45 3.250 -3.324 14.129 342 HD2 TYR 45 HD1 TYR 45 3.028 -0.978 10.586 343 HE1 TYR 45 HE2 TYR 45 0.949 -4.110 13.760 344 HE2 TYR 45 HE1 TYR 45 0.726 -1.757 10.207 345 HH TYR 45 HH TYR 45 -0.929 -3.036 10.939 346 H ASP 46 H ASP 46 3.803 1.365 11.887 347 HA ASP 46 HA ASP 46 1.263 1.528 13.463 348 HB2 ASP 46 HB2 ASP 46 2.621 3.592 13.607 349 HB3 ASP 46 HB3 ASP 46 2.600 3.723 11.851 350 H ASP 47 H ASP 47 -0.566 1.055 12.441 351 HA ASP 47 HA ASP 47 -0.415 0.280 9.621 352 HB2 ASP 47 HB2 ASP 47 -2.616 -0.591 9.925 353 HB3 ASP 47 HB3 ASP 47 -1.736 -0.944 11.409 354 H ALA 48 H ALA 48 -0.635 3.199 11.067 355 HA ALA 48 HA ALA 48 -2.699 4.276 9.221 356 HB1 ALA 48 HB1 ALA 48 -1.548 5.096 11.793 357 HB2 ALA 48 HB2 ALA 48 -1.767 6.417 10.645 358 HB3 ALA 48 HB3 ALA 48 -3.141 5.412 11.105 359 H THR 49 H THR 49 0.576 5.286 10.317 360 HA THR 49 HA THR 49 0.987 6.454 7.607 361 HB THR 49 HB THR 49 2.667 7.839 8.543 362 HG1 THR 49 HG1 THR 49 2.579 6.039 10.736 363 HG21 THR 49 HG21 THR 49 0.392 8.530 9.125 364 HG22 THR 49 HG22 THR 49 1.533 8.974 10.395 365 HG23 THR 49 HG23 THR 49 0.476 7.578 10.606 366 H LYS 50 H LYS 50 1.123 3.594 8.046 367 HA LYS 50 HA LYS 50 2.736 1.846 8.097 368 HB2 LYS 50 HB2 LYS 50 3.903 1.997 5.769 369 HB3 LYS 50 HB3 LYS 50 2.151 1.865 5.847 370 HG2 LYS 50 HG2 LYS 50 3.135 4.618 5.857 371 HG3 LYS 50 HG3 LYS 50 3.529 3.710 4.395 372 HD2 LYS 50 HD2 LYS 50 1.430 3.857 3.669 373 HD3 LYS 50 HD3 LYS 50 0.806 3.213 5.189 374 HE2 LYS 50 HE2 LYS 50 -0.076 5.230 5.536 375 HE3 LYS 50 HE3 LYS 50 1.569 5.793 5.828 376 HZ1 LYS 50 HZ1 LYS 50 1.510 7.000 3.986 377 HZ2 LYS 50 HZ2 LYS 50 -0.138 6.646 3.850 378 HZ3 LYS 50 HZ3 LYS 50 1.002 5.688 3.046 379 H THR 51 H THR 51 3.894 3.104 9.949 380 HA THR 51 HA THR 51 6.644 3.805 8.999 381 HB THR 51 HB THR 51 5.242 4.595 11.571 382 HG1 THR 51 HG1 THR 51 6.151 6.289 9.480 383 HG21 THR 51 HG21 THR 51 7.626 4.283 11.946 384 HG22 THR 51 HG22 THR 51 7.230 6.002 11.960 385 HG23 THR 51 HG23 THR 51 7.997 5.285 10.543 386 H PHE 52 H PHE 52 7.891 2.049 9.106 387 HA PHE 52 HA PHE 52 7.614 0.307 11.515 388 HB2 PHE 52 HB2 PHE 52 8.377 -0.173 8.679 389 HB3 PHE 52 HB3 PHE 52 9.236 -1.114 9.895 390 HD1 PHE 52 HD2 PHE 52 5.905 -0.335 8.518 391 HD2 PHE 52 HD1 PHE 52 8.191 -2.904 11.025 392 HE1 PHE 52 HE2 PHE 52 4.008 -1.896 8.642 393 HE2 PHE 52 HE1 PHE 52 6.298 -4.470 11.153 394 HZ PHE 52 HZ PHE 52 4.202 -3.966 9.962 395 H THR 53 H THR 53 9.207 0.118 12.961 396 HA THR 53 HA THR 53 11.896 1.162 12.221 397 HB THR 53 HB THR 53 10.559 1.867 14.844 398 HG1 THR 53 HG1 THR 53 9.953 3.753 13.955 399 HG21 THR 53 HG21 THR 53 12.414 3.579 14.863 400 HG22 THR 53 HG22 THR 53 13.113 2.721 13.490 401 HG23 THR 53 HG23 THR 53 12.930 1.902 15.041 402 H VAL 54 H VAL 54 13.632 0.376 13.508 403 HA VAL 54 HA VAL 54 12.916 -1.926 15.268 404 HB VAL 54 HB VAL 54 14.925 -1.950 13.005 405 HG11 VAL 54 HG11 VAL 54 15.454 -4.264 13.825 406 HG12 VAL 54 HG12 VAL 54 16.041 -2.955 14.852 407 HG13 VAL 54 HG13 VAL 54 14.597 -3.858 15.311 408 HG21 VAL 54 HG21 VAL 54 12.688 -3.874 13.599 409 HG22 VAL 54 HG22 VAL 54 12.501 -2.470 12.548 410 HG23 VAL 54 HG23 VAL 54 13.645 -3.744 12.123 411 H THR 55 H THR 55 13.545 -1.174 17.197 412 HA THR 55 HA THR 55 16.118 0.289 17.385 413 HB THR 55 HB THR 55 14.503 -0.273 19.823 414 HG1 THR 55 HG1 THR 55 13.666 1.661 17.906 415 HG21 THR 55 HG21 THR 55 16.255 1.144 20.292 416 HG22 THR 55 HG22 THR 55 14.985 2.313 19.933 417 HG23 THR 55 HG23 THR 55 16.192 1.920 18.710 418 H GLU 56 H GLU 56 17.501 -0.218 19.343 419 HA GLU 56 HA GLU 56 17.728 -3.194 19.567 420 HB2 GLU 56 HB2 GLU 56 19.741 -1.025 19.219 421 HB3 GLU 56 HB3 GLU 56 20.190 -2.375 20.251 422 HG2 GLU 56 HG2 GLU 56 19.091 -3.567 18.003 423 HG3 GLU 56 HG3 GLU 56 20.038 -2.219 17.373 Start of MODEL 55 1 H1 MET 1 H MET 1 -0.071 1.409 0.732 2 HA MET 1 HA MET 1 0.791 -0.451 -0.355 3 HB2 MET 1 HB2 MET 1 0.955 1.998 -1.915 4 HB3 MET 1 HB3 MET 1 2.099 0.786 -2.475 5 HG2 MET 1 HG2 MET 1 -0.047 -0.766 -2.272 6 HG3 MET 1 HG3 MET 1 -0.857 0.778 -2.529 7 HE1 MET 1 HE1 MET 1 -1.559 1.360 -5.016 8 HE2 MET 1 HE2 MET 1 -1.288 0.032 -6.144 9 HE3 MET 1 HE3 MET 1 -1.967 -0.292 -4.548 10 H GLN 2 H GLN 2 3.184 2.111 0.155 11 HA GLN 2 HA GLN 2 5.294 -0.008 0.147 12 HB2 GLN 2 HB2 GLN 2 6.837 2.052 -0.119 13 HB3 GLN 2 HB3 GLN 2 5.916 1.511 -1.517 14 HG2 GLN 2 HG2 GLN 2 4.236 3.250 -1.047 15 HG3 GLN 2 HG3 GLN 2 5.233 3.817 0.291 16 HE21 GLN 2 HE21 GLN 2 5.978 5.726 -0.341 17 HE22 GLN 2 HE22 GLN 2 6.803 6.040 -1.826 18 H TYR 3 H TYR 3 6.272 -0.482 1.994 19 HA TYR 3 HA TYR 3 5.786 1.358 4.293 20 HB2 TYR 3 HB2 TYR 3 6.620 -1.558 4.330 21 HB3 TYR 3 HB3 TYR 3 6.177 -0.576 5.721 22 HD1 TYR 3 HD1 TYR 3 3.761 0.525 5.539 23 HD2 TYR 3 HD2 TYR 3 5.016 -2.954 3.436 24 HE1 TYR 3 HE1 TYR 3 1.413 -0.156 5.276 25 HE2 TYR 3 HE2 TYR 3 2.671 -3.644 3.166 26 HH TYR 3 HH TYR 3 0.142 -1.719 3.458 27 H LYS 4 H LYS 4 7.467 1.817 5.779 28 HA LYS 4 HA LYS 4 10.202 1.380 4.648 29 HB2 LYS 4 HB2 LYS 4 9.957 3.640 4.249 30 HB3 LYS 4 HB3 LYS 4 8.869 3.879 5.610 31 HG2 LYS 4 HG2 LYS 4 10.594 4.058 7.131 32 HG3 LYS 4 HG3 LYS 4 11.733 3.193 6.097 33 HD2 LYS 4 HD2 LYS 4 12.401 5.455 6.029 34 HD3 LYS 4 HD3 LYS 4 11.561 5.162 4.505 35 HE2 LYS 4 HE2 LYS 4 9.721 6.406 5.128 36 HE3 LYS 4 HE3 LYS 4 10.031 6.195 6.851 37 HZ1 LYS 4 HZ1 LYS 4 10.829 8.264 6.720 38 HZ2 LYS 4 HZ2 LYS 4 11.011 8.214 5.040 39 HZ3 LYS 4 HZ3 LYS 4 12.206 7.555 6.039 40 H LEU 5 H LEU 5 11.625 0.472 5.977 41 HA LEU 5 HA LEU 5 10.843 0.264 8.850 42 HB2 LEU 5 HB2 LEU 5 11.094 -1.856 7.690 43 HB3 LEU 5 HB3 LEU 5 12.718 -1.411 7.171 44 HG LEU 5 HG LEU 5 13.132 -1.258 9.776 45 HD11 LEU 5 HD11 LEU 5 10.628 -2.838 9.491 46 HD12 LEU 5 HD12 LEU 5 11.129 -1.731 10.769 47 HD13 LEU 5 HD13 LEU 5 11.823 -3.349 10.683 48 HD21 LEU 5 HD21 LEU 5 13.424 -3.926 9.527 49 HD22 LEU 5 HD22 LEU 5 14.535 -2.748 8.829 50 HD23 LEU 5 HD23 LEU 5 13.271 -3.467 7.831 51 H VAL 6 H VAL 6 11.763 1.773 10.066 52 HA VAL 6 HA VAL 6 14.510 2.674 9.368 53 HB VAL 6 HB VAL 6 12.515 3.805 11.349 54 HG11 VAL 6 HG11 VAL 6 14.626 4.386 12.182 55 HG12 VAL 6 HG12 VAL 6 15.290 4.642 10.567 56 HG13 VAL 6 HG13 VAL 6 14.126 5.787 11.235 57 HG21 VAL 6 HG21 VAL 6 11.604 4.864 9.624 58 HG22 VAL 6 HG22 VAL 6 13.161 5.604 9.254 59 HG23 VAL 6 HG23 VAL 6 12.724 4.059 8.525 60 H ILE 7 H ILE 7 16.158 1.687 10.300 61 HA ILE 7 HA ILE 7 15.715 0.383 12.936 62 HB ILE 7 HB ILE 7 18.056 0.156 11.026 63 HG12 ILE 7 HG12 ILE 7 15.980 -1.946 11.620 64 HG13 ILE 7 HG13 ILE 7 15.773 -0.783 10.315 65 HG21 ILE 7 HG21 ILE 7 17.410 -1.212 13.623 66 HG22 ILE 7 HG22 ILE 7 18.552 -1.875 12.456 67 HG23 ILE 7 HG23 ILE 7 18.860 -0.304 13.195 68 HD11 ILE 7 HD11 ILE 7 17.564 -1.648 9.106 69 HD12 ILE 7 HD12 ILE 7 18.222 -2.492 10.508 70 HD13 ILE 7 HD13 ILE 7 16.741 -3.071 9.745 71 H ASN 8 H ASN 8 16.961 0.794 14.741 72 HA ASN 8 HA ASN 8 18.740 3.191 14.532 73 HB2 ASN 8 HB2 ASN 8 16.332 2.818 16.109 74 HB3 ASN 8 HB3 ASN 8 17.718 3.125 17.151 75 HD21 ASN 8 HD21 ASN 8 19.213 4.896 16.030 76 HD22 ASN 8 HD22 ASN 8 18.362 6.343 15.619 77 H GLY 9 H GLY 9 20.437 1.565 14.281 78 HA2 GLY 9 HA2 GLY 9 21.039 0.142 16.833 79 HA3 GLY 9 HA3 GLY 9 21.691 -0.274 15.255 80 H LYS 10 H LYS 10 23.227 0.060 17.615 81 HA LYS 10 HA LYS 10 24.433 2.708 17.558 82 HB2 LYS 10 HB2 LYS 10 25.398 0.123 18.817 83 HB3 LYS 10 HB3 LYS 10 26.072 1.719 19.119 84 HG2 LYS 10 HG2 LYS 10 23.847 2.421 19.986 85 HG3 LYS 10 HG3 LYS 10 23.313 0.747 19.823 86 HD2 LYS 10 HD2 LYS 10 24.113 0.384 21.870 87 HD3 LYS 10 HD3 LYS 10 25.733 0.606 21.205 88 HE2 LYS 10 HE2 LYS 10 25.444 2.056 23.109 89 HE3 LYS 10 HE3 LYS 10 25.539 3.030 21.643 90 HZ1 LYS 10 HZ1 LYS 10 23.645 3.310 23.502 91 HZ2 LYS 10 HZ2 LYS 10 22.865 2.250 22.439 92 HZ3 LYS 10 HZ3 LYS 10 23.438 3.740 21.878 93 H THR 11 H THR 11 24.853 -0.263 15.832 94 HA THR 11 HA THR 11 27.343 0.870 14.614 95 HB THR 11 HB THR 11 27.087 -2.000 14.244 96 HG1 THR 11 HG1 THR 11 27.309 -2.625 16.374 97 HG21 THR 11 HG21 THR 11 29.154 -0.874 13.829 98 HG22 THR 11 HG22 THR 11 29.395 -1.911 15.235 99 HG23 THR 11 HG23 THR 11 29.165 -0.175 15.447 100 H LEU 12 H LEU 12 24.211 0.630 14.066 101 HA LEU 12 HA LEU 12 24.620 0.331 11.154 102 HB2 LEU 12 HB2 LEU 12 23.556 -1.757 12.688 103 HB3 LEU 12 HB3 LEU 12 22.164 -0.986 11.930 104 HG LEU 12 HG LEU 12 23.091 -1.379 9.734 105 HD11 LEU 12 HD11 LEU 12 25.398 -1.149 9.958 106 HD12 LEU 12 HD12 LEU 12 25.177 -2.868 9.633 107 HD13 LEU 12 HD13 LEU 12 25.483 -2.315 11.279 108 HD21 LEU 12 HD21 LEU 12 23.253 -3.927 9.857 109 HD22 LEU 12 HD22 LEU 12 21.770 -3.175 10.446 110 HD23 LEU 12 HD23 LEU 12 22.990 -3.736 11.590 111 H LYS 13 H LYS 13 23.628 1.912 10.106 112 HA LYS 13 HA LYS 13 21.072 2.958 11.169 113 HB2 LYS 13 HB2 LYS 13 23.623 4.533 10.936 114 HB3 LYS 13 HB3 LYS 13 22.074 5.331 10.695 115 HG2 LYS 13 HG2 LYS 13 21.908 5.580 12.884 116 HG3 LYS 13 HG3 LYS 13 21.823 3.825 13.052 117 HD2 LYS 13 HD2 LYS 13 24.002 3.645 13.681 118 HD3 LYS 13 HD3 LYS 13 24.513 5.016 12.694 119 HE2 LYS 13 HE2 LYS 13 23.886 6.567 14.303 120 HE3 LYS 13 HE3 LYS 13 22.782 5.445 15.097 121 HZ1 LYS 13 HZ1 LYS 13 25.043 4.164 15.488 122 HZ2 LYS 13 HZ2 LYS 13 24.497 5.360 16.551 123 HZ3 LYS 13 HZ3 LYS 13 25.671 5.732 15.392 124 H GLY 14 H GLY 14 20.214 1.922 9.302 125 HA2 GLY 14 HA2 GLY 14 20.665 3.569 6.855 126 HA3 GLY 14 HA3 GLY 14 20.685 1.815 6.752 127 H GLU 15 H GLU 15 18.975 2.635 5.094 128 HA GLU 15 HA GLU 15 16.349 2.455 6.509 129 HB2 GLU 15 HB2 GLU 15 17.265 4.400 4.434 130 HB3 GLU 15 HB3 GLU 15 15.604 3.832 4.349 131 HG2 GLU 15 HG2 GLU 15 15.447 4.492 6.814 132 HG3 GLU 15 HG3 GLU 15 16.942 5.384 6.532 133 H THR 16 H THR 16 15.011 0.923 5.799 134 HA THR 16 HA THR 16 15.651 -0.321 3.153 135 HB THR 16 HB THR 16 16.324 -2.038 4.524 136 HG1 THR 16 HG1 THR 16 14.873 -3.343 3.719 137 HG21 THR 16 HG21 THR 16 14.476 -0.815 6.495 138 HG22 THR 16 HG22 THR 16 16.126 -1.402 6.702 139 HG23 THR 16 HG23 THR 16 14.783 -2.544 6.648 140 H THR 17 H THR 17 14.068 0.579 1.931 141 HA THR 17 HA THR 17 11.284 0.459 2.972 142 HB THR 17 HB THR 17 10.684 2.024 1.308 143 HG1 THR 17 HG1 THR 17 13.219 1.589 0.075 144 HG21 THR 17 HG21 THR 17 12.086 3.884 1.737 145 HG22 THR 17 HG22 THR 17 13.500 2.857 1.977 146 HG23 THR 17 HG23 THR 17 12.198 2.859 3.167 147 H THR 18 H THR 18 9.628 -0.611 1.934 148 HA THR 18 HA THR 18 10.175 -2.065 -0.554 149 HB THR 18 HB THR 18 11.104 -3.539 1.281 150 HG1 THR 18 HG1 THR 18 10.642 -4.848 -0.325 151 HG21 THR 18 HG21 THR 18 9.854 -4.300 3.001 152 HG22 THR 18 HG22 THR 18 8.397 -4.432 2.017 153 HG23 THR 18 HG23 THR 18 8.878 -2.869 2.676 154 H LYS 19 H LYS 19 8.170 -3.758 -0.787 155 HA LYS 19 HA LYS 19 5.744 -2.134 -0.122 156 HB2 LYS 19 HB2 LYS 19 4.829 -2.597 -2.239 157 HB3 LYS 19 HB3 LYS 19 6.513 -2.215 -2.573 158 HG2 LYS 19 HG2 LYS 19 6.495 -4.962 -2.179 159 HG3 LYS 19 HG3 LYS 19 5.027 -4.633 -3.102 160 HD2 LYS 19 HD2 LYS 19 7.688 -3.481 -3.890 161 HD3 LYS 19 HD3 LYS 19 7.177 -5.087 -4.415 162 HE2 LYS 19 HE2 LYS 19 6.019 -4.161 -6.067 163 HE3 LYS 19 HE3 LYS 19 5.019 -3.322 -4.882 164 HZ1 LYS 19 HZ1 LYS 19 6.380 -2.007 -6.664 165 HZ2 LYS 19 HZ2 LYS 19 7.639 -2.191 -5.550 166 HZ3 LYS 19 HZ3 LYS 19 6.212 -1.406 -5.091 167 H ALA 20 H ALA 20 3.739 -3.312 0.101 168 HA ALA 20 HA ALA 20 3.685 -6.179 0.215 169 HB1 ALA 20 HB1 ALA 20 4.646 -6.539 2.193 170 HB2 ALA 20 HB2 ALA 20 4.678 -4.819 2.582 171 HB3 ALA 20 HB3 ALA 20 3.235 -5.773 2.924 172 H VAL 21 H VAL 21 1.626 -6.985 0.537 173 HA VAL 21 HA VAL 21 -0.526 -5.211 -0.004 174 HB VAL 21 HB VAL 21 -1.994 -7.143 0.601 175 HG11 VAL 21 HG11 VAL 21 -0.613 -8.750 -1.060 176 HG12 VAL 21 HG12 VAL 21 -1.530 -7.342 -1.600 177 HG13 VAL 21 HG13 VAL 21 0.213 -7.220 -1.353 178 HG21 VAL 21 HG21 VAL 21 -0.853 -9.308 1.098 179 HG22 VAL 21 HG22 VAL 21 0.634 -8.401 1.374 180 HG23 VAL 21 HG23 VAL 21 -0.770 -8.128 2.406 181 H ASP 22 H ASP 22 0.690 -6.589 3.037 182 HA ASP 22 HA ASP 22 -0.665 -4.454 4.516 183 HB2 ASP 22 HB2 ASP 22 -1.751 -6.142 6.088 184 HB3 ASP 22 HB3 ASP 22 -2.511 -5.952 4.510 185 H ALA 23 H ALA 23 -0.109 -4.491 6.845 186 HA ALA 23 HA ALA 23 2.683 -4.833 7.193 187 HB1 ALA 23 HB1 ALA 23 0.376 -4.179 8.917 188 HB2 ALA 23 HB2 ALA 23 1.796 -4.818 9.745 189 HB3 ALA 23 HB3 ALA 23 1.935 -3.373 8.744 190 H GLU 24 H GLU 24 0.016 -7.054 7.609 191 HA GLU 24 HA GLU 24 1.086 -8.900 9.416 192 HB2 GLU 24 HB2 GLU 24 -1.137 -9.213 8.639 193 HB3 GLU 24 HB3 GLU 24 -0.629 -9.278 6.958 194 HG2 GLU 24 HG2 GLU 24 -0.273 -11.467 7.047 195 HG3 GLU 24 HG3 GLU 24 0.632 -11.339 8.555 196 H THR 25 H THR 25 1.520 -8.815 5.858 197 HA THR 25 HA THR 25 3.609 -10.898 6.095 198 HB THR 25 HB THR 25 1.901 -10.982 4.262 199 HG1 THR 25 HG1 THR 25 4.261 -11.740 4.175 200 HG21 THR 25 HG21 THR 25 3.443 -8.698 3.040 201 HG22 THR 25 HG22 THR 25 1.906 -8.488 3.879 202 HG23 THR 25 HG23 THR 25 1.987 -9.476 2.421 203 H ALA 26 H ALA 26 3.257 -7.458 5.726 204 HA ALA 26 HA ALA 26 5.821 -6.941 4.527 205 HB1 ALA 26 HB1 ALA 26 4.489 -4.980 6.355 206 HB2 ALA 26 HB2 ALA 26 5.337 -4.706 4.832 207 HB3 ALA 26 HB3 ALA 26 3.721 -5.412 4.827 208 H GLU 27 H GLU 27 4.666 -6.726 7.921 209 HA GLU 27 HA GLU 27 7.060 -5.951 9.123 210 HB2 GLU 27 HB2 GLU 27 5.037 -6.095 10.407 211 HB3 GLU 27 HB3 GLU 27 4.904 -7.825 10.120 212 HG2 GLU 27 HG2 GLU 27 6.613 -8.333 11.602 213 HG3 GLU 27 HG3 GLU 27 7.273 -6.699 11.554 214 H LYS 28 H LYS 28 5.952 -9.277 8.405 215 HA LYS 28 HA LYS 28 8.212 -10.607 9.492 216 HB2 LYS 28 HB2 LYS 28 6.235 -11.848 8.929 217 HB3 LYS 28 HB3 LYS 28 6.328 -11.357 7.243 218 HG2 LYS 28 HG2 LYS 28 7.666 -13.052 6.734 219 HG3 LYS 28 HG3 LYS 28 8.741 -12.706 8.091 220 HD2 LYS 28 HD2 LYS 28 7.984 -14.772 8.713 221 HD3 LYS 28 HD3 LYS 28 6.753 -13.763 9.476 222 HE2 LYS 28 HE2 LYS 28 5.144 -14.332 7.941 223 HE3 LYS 28 HE3 LYS 28 6.320 -14.675 6.674 224 HZ1 LYS 28 HZ1 LYS 28 6.937 -16.569 8.423 225 HZ2 LYS 28 HZ2 LYS 28 5.795 -16.787 7.194 226 HZ3 LYS 28 HZ3 LYS 28 5.287 -16.411 8.763 227 H ALA 29 H ALA 29 7.683 -9.031 6.381 228 HA ALA 29 HA ALA 29 9.971 -10.140 5.053 229 HB1 ALA 29 HB1 ALA 29 7.898 -8.297 4.460 230 HB2 ALA 29 HB2 ALA 29 9.433 -7.506 4.095 231 HB3 ALA 29 HB3 ALA 29 9.041 -9.057 3.352 232 H PHE 30 H PHE 30 9.483 -7.298 7.122 233 HA PHE 30 HA PHE 30 12.156 -6.261 6.653 234 HB2 PHE 30 HB2 PHE 30 10.031 -5.655 8.723 235 HB3 PHE 30 HB3 PHE 30 11.585 -4.828 8.675 236 HD1 PHE 30 HD2 PHE 30 12.108 -4.232 5.967 237 HD2 PHE 30 HD1 PHE 30 8.354 -4.294 7.971 238 HE1 PHE 30 HE2 PHE 30 11.208 -2.638 4.323 239 HE2 PHE 30 HE1 PHE 30 7.447 -2.701 6.330 240 HZ PHE 30 HZ PHE 30 8.875 -1.870 4.504 241 H LYS 31 H LYS 31 10.615 -8.383 9.017 242 HA LYS 31 HA LYS 31 12.707 -8.371 10.954 243 HB2 LYS 31 HB2 LYS 31 10.300 -9.370 11.039 244 HB3 LYS 31 HB3 LYS 31 11.046 -10.811 10.360 245 HG2 LYS 31 HG2 LYS 31 12.224 -11.271 12.264 246 HG3 LYS 31 HG3 LYS 31 12.271 -9.582 12.775 247 HD2 LYS 31 HD2 LYS 31 9.755 -11.241 12.736 248 HD3 LYS 31 HD3 LYS 31 10.794 -11.080 14.153 249 HE2 LYS 31 HE2 LYS 31 10.063 -9.004 14.600 250 HE3 LYS 31 HE3 LYS 31 10.057 -8.536 12.900 251 HZ1 LYS 31 HZ1 LYS 31 7.836 -8.507 13.406 252 HZ2 LYS 31 HZ2 LYS 31 7.932 -9.809 14.481 253 HZ3 LYS 31 HZ3 LYS 31 7.995 -10.084 12.812 254 H GLN 32 H GLN 32 12.575 -9.642 7.777 255 HA GLN 32 HA GLN 32 14.562 -11.747 8.270 256 HB2 GLN 32 HB2 GLN 32 12.829 -12.024 6.544 257 HB3 GLN 32 HB3 GLN 32 13.455 -10.627 5.679 258 HG2 GLN 32 HG2 GLN 32 15.020 -11.834 4.673 259 HG3 GLN 32 HG3 GLN 32 15.520 -12.585 6.188 260 HE21 GLN 32 HE21 GLN 32 15.116 -14.668 6.447 261 HE22 GLN 32 HE22 GLN 32 14.034 -15.613 5.487 262 H TYR 33 H TYR 33 14.595 -8.391 7.833 263 HA TYR 33 HA TYR 33 17.236 -8.371 6.503 264 HB2 TYR 33 HB2 TYR 33 15.242 -6.696 6.155 265 HB3 TYR 33 HB3 TYR 33 15.881 -5.923 7.601 266 HD1 TYR 33 HD1 TYR 33 17.391 -7.416 4.517 267 HD2 TYR 33 HD2 TYR 33 17.138 -4.059 7.119 268 HE1 TYR 33 HE1 TYR 33 19.053 -6.233 3.142 269 HE2 TYR 33 HE2 TYR 33 18.798 -2.866 5.751 270 HH TYR 33 HH TYR 33 20.720 -3.599 4.137 271 H ALA 34 H ALA 34 15.864 -6.813 9.438 272 HA ALA 34 HA ALA 34 18.274 -6.118 10.650 273 HB1 ALA 34 HB1 ALA 34 16.355 -7.101 12.602 274 HB2 ALA 34 HB2 ALA 34 16.940 -5.462 12.314 275 HB3 ALA 34 HB3 ALA 34 15.596 -6.098 11.365 276 H ASN 35 H ASN 35 16.473 -9.197 10.987 277 HA ASN 35 HA ASN 35 18.248 -10.413 12.831 278 HB2 ASN 35 HB2 ASN 35 16.045 -11.337 12.317 279 HB3 ASN 35 HB3 ASN 35 16.544 -11.683 10.664 280 HD21 ASN 35 HD21 ASN 35 15.799 -13.850 11.305 281 HD22 ASN 35 HD22 ASN 35 16.930 -14.906 12.074 282 H ASP 36 H ASP 36 18.372 -10.110 9.311 283 HA ASP 36 HA ASP 36 20.727 -11.877 9.163 284 HB2 ASP 36 HB2 ASP 36 18.727 -11.354 7.399 285 HB3 ASP 36 HB3 ASP 36 19.961 -10.243 6.812 286 H ASN 37 H ASN 37 20.130 -8.682 9.963 287 HA ASN 37 HA ASN 37 22.770 -7.792 8.890 288 HB2 ASN 37 HB2 ASN 37 20.245 -6.364 9.651 289 HB3 ASN 37 HB3 ASN 37 21.777 -5.504 9.776 290 HD21 ASN 37 HD21 ASN 37 19.263 -6.368 7.760 291 HD22 ASN 37 HD22 ASN 37 19.983 -5.951 6.246 292 H GLY 38 H GLY 38 21.269 -8.969 11.668 293 HA2 GLY 38 HA2 GLY 38 22.427 -9.363 13.697 294 HA3 GLY 38 HA3 GLY 38 23.598 -8.123 13.274 295 H VAL 39 H VAL 39 20.357 -7.176 12.792 296 HA VAL 39 HA VAL 39 20.526 -5.539 15.282 297 HB VAL 39 HB VAL 39 18.855 -5.111 12.790 298 HG11 VAL 39 HG11 VAL 39 18.538 -4.107 15.424 299 HG12 VAL 39 HG12 VAL 39 19.090 -2.782 14.398 300 HG13 VAL 39 HG13 VAL 39 17.635 -3.683 13.971 301 HG21 VAL 39 HG21 VAL 39 21.225 -4.734 12.389 302 HG22 VAL 39 HG22 VAL 39 20.349 -3.203 12.392 303 HG23 VAL 39 HG23 VAL 39 21.311 -3.673 13.794 304 H ASP 40 H ASP 40 19.264 -6.021 16.935 305 HA ASP 40 HA ASP 40 16.563 -7.110 16.406 306 HB2 ASP 40 HB2 ASP 40 18.259 -9.020 16.731 307 HB3 ASP 40 HB3 ASP 40 18.355 -8.490 18.408 308 H GLY 41 H GLY 41 15.053 -6.601 17.947 309 HA2 GLY 41 HA2 GLY 41 15.560 -5.847 20.603 310 HA3 GLY 41 HA3 GLY 41 15.693 -4.377 19.649 311 H VAL 42 H VAL 42 13.921 -3.196 19.551 312 HA VAL 42 HA VAL 42 11.333 -4.533 20.123 313 HB VAL 42 HB VAL 42 12.121 -2.379 21.279 314 HG11 VAL 42 HG11 VAL 42 11.722 -0.295 20.139 315 HG12 VAL 42 HG12 VAL 42 12.861 -1.258 19.195 316 HG13 VAL 42 HG13 VAL 42 11.173 -1.146 18.696 317 HG21 VAL 42 HG21 VAL 42 9.652 -3.396 20.774 318 HG22 VAL 42 HG22 VAL 42 9.971 -2.014 21.823 319 HG23 VAL 42 HG23 VAL 42 9.487 -1.756 20.147 320 H TRP 43 H TRP 43 9.400 -3.843 18.892 321 HA TRP 43 HA TRP 43 10.014 -3.066 16.089 322 HB2 TRP 43 HB2 TRP 43 8.729 -5.639 16.985 323 HB3 TRP 43 HB3 TRP 43 8.316 -4.930 15.426 324 HD1 TRP 43 HD1 TRP 43 11.321 -6.430 17.311 325 HE1 TRP 43 HE1 TRP 43 13.050 -7.218 15.575 326 HE3 TRP 43 HE3 TRP 43 9.100 -4.627 13.074 327 HZ2 TRP 43 HZ2 TRP 43 13.424 -7.092 12.780 328 HZ3 TRP 43 HZ3 TRP 43 10.209 -5.002 10.910 329 HH2 TRP 43 HH2 TRP 43 12.326 -6.209 10.768 330 H THR 44 H THR 44 8.989 -1.117 16.305 331 HA THR 44 HA THR 44 6.103 -1.241 17.075 332 HB THR 44 HB THR 44 6.483 1.362 17.149 333 HG1 THR 44 HG1 THR 44 9.113 0.419 17.707 334 HG21 THR 44 HG21 THR 44 5.847 0.266 19.127 335 HG22 THR 44 HG22 THR 44 7.357 1.077 19.542 336 HG23 THR 44 HG23 THR 44 7.350 -0.653 19.203 337 H TYR 45 H TYR 45 4.655 -1.086 15.513 338 HA TYR 45 HA TYR 45 5.422 0.449 13.065 339 HB2 TYR 45 HB2 TYR 45 5.102 -1.344 11.761 340 HB3 TYR 45 HB3 TYR 45 4.969 -2.326 13.216 341 HD1 TYR 45 HD1 TYR 45 3.064 -0.510 10.636 342 HD2 TYR 45 HD2 TYR 45 2.852 -3.167 13.952 343 HE1 TYR 45 HE1 TYR 45 0.730 -1.030 10.062 344 HE2 TYR 45 HE2 TYR 45 0.518 -3.695 13.387 345 HH TYR 45 HH TYR 45 -1.018 -2.367 10.488 346 H ASP 46 H ASP 46 3.877 1.734 12.155 347 HA ASP 46 HA ASP 46 1.322 1.909 13.700 348 HB2 ASP 46 HB2 ASP 46 2.698 3.904 13.955 349 HB3 ASP 46 HB3 ASP 46 2.847 4.064 12.207 350 H ASP 47 H ASP 47 -0.439 1.287 12.670 351 HA ASP 47 HA ASP 47 -0.361 0.768 9.805 352 HB2 ASP 47 HB2 ASP 47 -2.495 -0.205 10.092 353 HB3 ASP 47 HB3 ASP 47 -1.645 -0.550 11.595 354 H ALA 48 H ALA 48 -0.681 3.565 11.526 355 HA ALA 48 HA ALA 48 -2.769 4.743 9.788 356 HB1 ALA 48 HB1 ALA 48 -2.042 5.176 12.413 357 HB2 ALA 48 HB2 ALA 48 -1.352 6.567 11.574 358 HB3 ALA 48 HB3 ALA 48 -3.076 6.221 11.437 359 H THR 49 H THR 49 0.655 5.364 10.675 360 HA THR 49 HA THR 49 0.904 6.895 8.120 361 HB THR 49 HB THR 49 3.073 6.998 10.161 362 HG1 THR 49 HG1 THR 49 1.353 7.281 11.537 363 HG21 THR 49 HG21 THR 49 2.468 9.546 9.406 364 HG22 THR 49 HG22 THR 49 1.975 8.632 7.981 365 HG23 THR 49 HG23 THR 49 3.628 8.505 8.582 366 H LYS 50 H LYS 50 0.934 3.975 8.317 367 HA LYS 50 HA LYS 50 2.437 2.168 8.022 368 HB2 LYS 50 HB2 LYS 50 3.437 2.489 5.653 369 HB3 LYS 50 HB3 LYS 50 1.688 2.503 5.836 370 HG2 LYS 50 HG2 LYS 50 2.956 5.136 6.056 371 HG3 LYS 50 HG3 LYS 50 3.121 4.361 4.479 372 HD2 LYS 50 HD2 LYS 50 1.008 4.840 3.976 373 HD3 LYS 50 HD3 LYS 50 0.440 4.034 5.440 374 HE2 LYS 50 HE2 LYS 50 -0.158 6.024 6.227 375 HE3 LYS 50 HE3 LYS 50 1.550 6.458 6.293 376 HZ1 LYS 50 HZ1 LYS 50 0.804 6.793 3.666 377 HZ2 LYS 50 HZ2 LYS 50 1.091 8.013 4.802 378 HZ3 LYS 50 HZ3 LYS 50 -0.480 7.433 4.563 379 H THR 51 H THR 51 3.753 3.330 9.917 380 HA THR 51 HA THR 51 6.520 3.721 8.839 381 HB THR 51 HB THR 51 5.275 4.916 11.332 382 HG1 THR 51 HG1 THR 51 6.071 5.948 8.814 383 HG21 THR 51 HG21 THR 51 7.412 4.706 12.085 384 HG22 THR 51 HG22 THR 51 7.632 6.168 11.123 385 HG23 THR 51 HG23 THR 51 8.089 4.599 10.460 386 H PHE 52 H PHE 52 8.005 2.289 9.427 387 HA PHE 52 HA PHE 52 7.345 0.531 11.757 388 HB2 PHE 52 HB2 PHE 52 8.495 -0.031 9.064 389 HB3 PHE 52 HB3 PHE 52 9.140 -0.952 10.419 390 HD1 PHE 52 HD1 PHE 52 5.941 -0.005 8.780 391 HD2 PHE 52 HD2 PHE 52 8.029 -2.839 11.175 392 HE1 PHE 52 HE1 PHE 52 4.013 -1.528 8.654 393 HE2 PHE 52 HE2 PHE 52 6.104 -4.366 11.051 394 HZ PHE 52 HZ PHE 52 4.093 -3.712 9.789 395 H THR 53 H THR 53 8.652 0.598 13.451 396 HA THR 53 HA THR 53 11.361 1.803 13.038 397 HB THR 53 HB THR 53 10.042 1.804 15.729 398 HG1 THR 53 HG1 THR 53 8.918 3.670 15.216 399 HG21 THR 53 HG21 THR 53 12.403 2.538 15.364 400 HG22 THR 53 HG22 THR 53 11.364 3.784 16.056 401 HG23 THR 53 HG23 THR 53 11.789 3.839 14.345 402 H VAL 54 H VAL 54 13.134 0.842 13.945 403 HA VAL 54 HA VAL 54 12.643 -1.661 15.495 404 HB VAL 54 HB VAL 54 14.481 -1.359 13.109 405 HG11 VAL 54 HG11 VAL 54 15.852 -2.637 14.396 406 HG12 VAL 54 HG12 VAL 54 14.529 -3.259 15.384 407 HG13 VAL 54 HG13 VAL 54 14.811 -3.915 13.771 408 HG21 VAL 54 HG21 VAL 54 13.189 -3.110 12.126 409 HG22 VAL 54 HG22 VAL 54 12.298 -3.372 13.626 410 HG23 VAL 54 HG23 VAL 54 12.065 -1.883 12.711 411 H THR 55 H THR 55 13.252 -0.673 17.410 412 HA THR 55 HA THR 55 15.920 0.601 17.519 413 HB THR 55 HB THR 55 14.105 0.145 19.885 414 HG1 THR 55 HG1 THR 55 12.694 1.385 18.918 415 HG21 THR 55 HG21 THR 55 16.194 2.202 19.169 416 HG22 THR 55 HG22 THR 55 16.279 0.983 20.441 417 HG23 THR 55 HG23 THR 55 15.140 2.322 20.578 418 H GLU 56 H GLU 56 17.711 -0.275 18.374 419 HA GLU 56 HA GLU 56 17.516 -3.116 19.196 420 HB2 GLU 56 HB2 GLU 56 19.245 -1.951 17.526 421 HB3 GLU 56 HB3 GLU 56 20.130 -1.684 19.021 422 HG2 GLU 56 HG2 GLU 56 19.883 -4.157 19.461 423 HG3 GLU 56 HG3 GLU 56 19.310 -4.300 17.801 Start of MODEL 56 1 H1 MET 1 H MET 1 1.243 1.920 -0.278 2 HA MET 1 HA MET 1 1.205 -0.997 -0.404 3 HB2 MET 1 HB2 MET 1 0.265 0.359 -2.540 4 HB3 MET 1 HB3 MET 1 1.980 0.341 -2.929 5 HG2 MET 1 HG2 MET 1 1.751 -2.211 -2.362 6 HG3 MET 1 HG3 MET 1 0.054 -1.912 -2.730 7 HE1 MET 1 HE1 MET 1 0.855 -3.985 -4.352 8 HE2 MET 1 HE2 MET 1 -0.475 -3.068 -5.061 9 HE3 MET 1 HE3 MET 1 0.898 -3.547 -6.060 10 H GLN 2 H GLN 2 2.753 1.122 1.002 11 HA GLN 2 HA GLN 2 5.401 0.035 0.328 12 HB2 GLN 2 HB2 GLN 2 4.796 2.290 -0.980 13 HB3 GLN 2 HB3 GLN 2 5.314 3.009 0.539 14 HG2 GLN 2 HG2 GLN 2 7.484 2.326 0.286 15 HG3 GLN 2 HG3 GLN 2 7.050 0.962 -0.742 16 HE21 GLN 2 HE21 GLN 2 5.657 2.005 -2.739 17 HE22 GLN 2 HE22 GLN 2 6.580 3.170 -3.619 18 H TYR 3 H TYR 3 6.597 -0.266 2.099 19 HA TYR 3 HA TYR 3 5.746 1.207 4.561 20 HB2 TYR 3 HB2 TYR 3 6.642 -1.677 4.288 21 HB3 TYR 3 HB3 TYR 3 6.417 -0.849 5.825 22 HD1 TYR 3 HD2 TYR 3 4.555 -1.629 2.682 23 HD2 TYR 3 HD1 TYR 3 4.370 -1.020 6.889 24 HE1 TYR 3 HE2 TYR 3 2.175 -2.250 2.662 25 HE2 TYR 3 HE1 TYR 3 1.990 -1.640 6.881 26 HH TYR 3 HH TYR 3 0.458 -3.008 4.099 27 H LYS 4 H LYS 4 7.328 1.872 5.994 28 HA LYS 4 HA LYS 4 10.106 1.708 4.895 29 HB2 LYS 4 HB2 LYS 4 9.665 3.968 4.831 30 HB3 LYS 4 HB3 LYS 4 8.554 3.907 6.193 31 HG2 LYS 4 HG2 LYS 4 10.218 4.114 7.742 32 HG3 LYS 4 HG3 LYS 4 11.433 3.372 6.699 33 HD2 LYS 4 HD2 LYS 4 11.993 5.670 6.850 34 HD3 LYS 4 HD3 LYS 4 11.276 5.439 5.254 35 HE2 LYS 4 HE2 LYS 4 9.300 6.089 7.284 36 HE3 LYS 4 HE3 LYS 4 10.540 7.332 7.130 37 HZ1 LYS 4 HZ1 LYS 4 8.411 7.315 5.613 38 HZ2 LYS 4 HZ2 LYS 4 9.356 6.272 4.674 39 HZ3 LYS 4 HZ3 LYS 4 9.909 7.833 5.020 40 H LEU 5 H LEU 5 11.644 0.794 6.089 41 HA LEU 5 HA LEU 5 10.909 0.047 8.881 42 HB2 LEU 5 HB2 LEU 5 11.440 -1.798 7.367 43 HB3 LEU 5 HB3 LEU 5 13.013 -1.080 7.023 44 HG LEU 5 HG LEU 5 13.495 -1.364 9.516 45 HD11 LEU 5 HD11 LEU 5 12.199 -3.326 10.480 46 HD12 LEU 5 HD12 LEU 5 10.994 -3.003 9.234 47 HD13 LEU 5 HD13 LEU 5 11.372 -1.769 10.436 48 HD21 LEU 5 HD21 LEU 5 13.677 -3.993 9.050 49 HD22 LEU 5 HD22 LEU 5 14.759 -2.809 8.318 50 HD23 LEU 5 HD23 LEU 5 13.384 -3.430 7.405 51 H VAL 6 H VAL 6 11.546 1.643 10.207 52 HA VAL 6 HA VAL 6 14.221 2.858 9.772 53 HB VAL 6 HB VAL 6 12.057 3.578 11.769 54 HG11 VAL 6 HG11 VAL 6 14.821 4.437 11.420 55 HG12 VAL 6 HG12 VAL 6 13.668 5.773 11.422 56 HG13 VAL 6 HG13 VAL 6 13.729 4.657 12.787 57 HG21 VAL 6 HG21 VAL 6 11.078 4.807 10.194 58 HG22 VAL 6 HG22 VAL 6 12.613 5.535 9.720 59 HG23 VAL 6 HG23 VAL 6 12.111 3.999 9.015 60 H ILE 7 H ILE 7 15.833 1.655 10.561 61 HA ILE 7 HA ILE 7 15.430 0.275 13.159 62 HB ILE 7 HB ILE 7 17.723 0.115 11.187 63 HG12 ILE 7 HG12 ILE 7 16.000 -2.223 11.734 64 HG13 ILE 7 HG13 ILE 7 15.231 -0.907 10.854 65 HG21 ILE 7 HG21 ILE 7 17.167 -1.462 13.695 66 HG22 ILE 7 HG22 ILE 7 18.426 -1.839 12.520 67 HG23 ILE 7 HG23 ILE 7 18.495 -0.332 13.433 68 HD11 ILE 7 HD11 ILE 7 16.857 -2.929 9.828 69 HD12 ILE 7 HD12 ILE 7 16.234 -1.513 8.981 70 HD13 ILE 7 HD13 ILE 7 17.819 -1.453 9.750 71 H ASN 8 H ASN 8 16.462 0.792 15.007 72 HA ASN 8 HA ASN 8 18.317 3.136 14.856 73 HB2 ASN 8 HB2 ASN 8 15.934 2.657 16.453 74 HB3 ASN 8 HB3 ASN 8 17.332 2.973 17.477 75 HD21 ASN 8 HD21 ASN 8 18.757 4.813 16.379 76 HD22 ASN 8 HD22 ASN 8 17.862 6.246 16.023 77 H GLY 9 H GLY 9 19.881 1.284 14.457 78 HA2 GLY 9 HA2 GLY 9 20.528 -0.277 16.865 79 HA3 GLY 9 HA3 GLY 9 21.333 -0.365 15.305 80 H LYS 10 H LYS 10 22.623 -0.327 17.848 81 HA LYS 10 HA LYS 10 23.577 2.315 18.457 82 HB2 LYS 10 HB2 LYS 10 23.749 0.599 20.121 83 HB3 LYS 10 HB3 LYS 10 24.667 -0.446 19.045 84 HG2 LYS 10 HG2 LYS 10 26.524 1.164 19.096 85 HG3 LYS 10 HG3 LYS 10 25.604 2.161 20.226 86 HD2 LYS 10 HD2 LYS 10 27.078 0.886 21.556 87 HD3 LYS 10 HD3 LYS 10 25.500 0.112 21.722 88 HE2 LYS 10 HE2 LYS 10 26.188 -1.777 20.714 89 HE3 LYS 10 HE3 LYS 10 27.131 -0.905 19.507 90 HZ1 LYS 10 HZ1 LYS 10 28.025 -2.201 21.847 91 HZ2 LYS 10 HZ2 LYS 10 28.419 -0.559 21.939 92 HZ3 LYS 10 HZ3 LYS 10 28.940 -1.481 20.620 93 H THR 11 H THR 11 24.683 -0.265 16.298 94 HA THR 11 HA THR 11 26.797 1.618 15.320 95 HB THR 11 HB THR 11 28.184 -0.241 14.739 96 HG1 THR 11 HG1 THR 11 27.398 -2.189 14.438 97 HG21 THR 11 HG21 THR 11 27.001 -0.698 17.481 98 HG22 THR 11 HG22 THR 11 28.315 0.409 17.080 99 HG23 THR 11 HG23 THR 11 28.548 -1.332 16.920 100 H LEU 12 H LEU 12 24.485 -0.954 14.431 101 HA LEU 12 HA LEU 12 24.783 -0.223 11.578 102 HB2 LEU 12 HB2 LEU 12 24.705 -2.569 12.072 103 HB3 LEU 12 HB3 LEU 12 23.222 -2.379 13.005 104 HG LEU 12 HG LEU 12 21.941 -1.991 11.028 105 HD11 LEU 12 HD11 LEU 12 24.570 -1.996 9.554 106 HD12 LEU 12 HD12 LEU 12 23.492 -0.620 9.787 107 HD13 LEU 12 HD13 LEU 12 22.978 -1.982 8.793 108 HD21 LEU 12 HD21 LEU 12 23.643 -4.184 10.012 109 HD22 LEU 12 HD22 LEU 12 21.902 -4.129 10.287 110 HD23 LEU 12 HD23 LEU 12 23.003 -4.368 11.645 111 H LYS 13 H LYS 13 23.743 1.577 11.010 112 HA LYS 13 HA LYS 13 20.868 1.766 11.813 113 HB2 LYS 13 HB2 LYS 13 22.603 4.181 11.310 114 HB3 LYS 13 HB3 LYS 13 21.043 4.099 12.118 115 HG2 LYS 13 HG2 LYS 13 22.226 2.713 13.899 116 HG3 LYS 13 HG3 LYS 13 23.729 3.261 13.154 117 HD2 LYS 13 HD2 LYS 13 22.898 5.614 13.446 118 HD3 LYS 13 HD3 LYS 13 21.569 4.953 14.401 119 HE2 LYS 13 HE2 LYS 13 22.886 5.014 16.188 120 HE3 LYS 13 HE3 LYS 13 23.915 3.802 15.426 121 HZ1 LYS 13 HZ1 LYS 13 24.193 6.748 15.173 122 HZ2 LYS 13 HZ2 LYS 13 25.148 5.613 14.360 123 HZ3 LYS 13 HZ3 LYS 13 25.211 5.717 16.047 124 H GLY 14 H GLY 14 19.421 2.614 10.290 125 HA2 GLY 14 HA2 GLY 14 20.010 3.775 7.838 126 HA3 GLY 14 HA3 GLY 14 20.178 2.050 7.550 127 H GLU 15 H GLU 15 18.383 3.009 5.998 128 HA GLU 15 HA GLU 15 15.794 2.414 7.373 129 HB2 GLU 15 HB2 GLU 15 16.544 4.658 5.557 130 HB3 GLU 15 HB3 GLU 15 14.943 3.959 5.357 131 HG2 GLU 15 HG2 GLU 15 14.226 5.221 7.018 132 HG3 GLU 15 HG3 GLU 15 15.288 4.337 8.113 133 H THR 16 H THR 16 14.648 0.808 6.532 134 HA THR 16 HA THR 16 15.434 -0.133 3.801 135 HB THR 16 HB THR 16 14.004 -2.070 5.480 136 HG1 THR 16 HG1 THR 16 15.316 -0.980 7.073 137 HG21 THR 16 HG21 THR 16 15.602 -3.585 4.587 138 HG22 THR 16 HG22 THR 16 16.709 -2.277 4.169 139 HG23 THR 16 HG23 THR 16 15.195 -2.467 3.286 140 H THR 17 H THR 17 13.964 0.732 2.455 141 HA THR 17 HA THR 17 11.098 0.595 3.255 142 HB THR 17 HB THR 17 10.653 2.174 1.495 143 HG1 THR 17 HG1 THR 17 13.383 2.270 0.772 144 HG21 THR 17 HG21 THR 17 12.232 2.738 3.689 145 HG22 THR 17 HG22 THR 17 11.414 3.923 2.670 146 HG23 THR 17 HG23 THR 17 13.098 3.503 2.358 147 H THR 18 H THR 18 9.576 -0.526 2.124 148 HA THR 18 HA THR 18 10.295 -1.810 -0.418 149 HB THR 18 HB THR 18 11.179 -3.351 1.384 150 HG1 THR 18 HG1 THR 18 10.850 -4.575 -0.320 151 HG21 THR 18 HG21 THR 18 9.862 -4.270 2.978 152 HG22 THR 18 HG22 THR 18 8.456 -4.353 1.916 153 HG23 THR 18 HG23 THR 18 8.879 -2.832 2.703 154 H LYS 19 H LYS 19 8.373 -3.511 -0.900 155 HA LYS 19 HA LYS 19 5.860 -2.015 -0.262 156 HB2 LYS 19 HB2 LYS 19 5.070 -2.411 -2.448 157 HB3 LYS 19 HB3 LYS 19 6.748 -1.931 -2.665 158 HG2 LYS 19 HG2 LYS 19 6.977 -4.635 -2.472 159 HG3 LYS 19 HG3 LYS 19 5.417 -4.462 -3.278 160 HD2 LYS 19 HD2 LYS 19 7.900 -3.024 -4.189 161 HD3 LYS 19 HD3 LYS 19 7.439 -4.619 -4.790 162 HE2 LYS 19 HE2 LYS 19 5.704 -2.157 -4.938 163 HE3 LYS 19 HE3 LYS 19 6.712 -2.752 -6.256 164 HZ1 LYS 19 HZ1 LYS 19 4.964 -3.965 -6.844 165 HZ2 LYS 19 HZ2 LYS 19 4.139 -3.644 -5.403 166 HZ3 LYS 19 HZ3 LYS 19 5.244 -4.923 -5.477 167 H ALA 20 H ALA 20 4.061 -3.137 0.334 168 HA ALA 20 HA ALA 20 4.005 -6.058 0.112 169 HB1 ALA 20 HB1 ALA 20 4.851 -6.530 2.111 170 HB2 ALA 20 HB2 ALA 20 4.997 -4.818 2.511 171 HB3 ALA 20 HB3 ALA 20 3.495 -5.678 2.850 172 H VAL 21 H VAL 21 1.961 -6.947 0.443 173 HA VAL 21 HA VAL 21 -0.228 -5.196 -0.094 174 HB VAL 21 HB VAL 21 -0.439 -7.981 1.072 175 HG11 VAL 21 HG11 VAL 21 -2.298 -7.089 -1.008 176 HG12 VAL 21 HG12 VAL 21 -2.611 -7.926 0.513 177 HG13 VAL 21 HG13 VAL 21 -2.399 -6.175 0.496 178 HG21 VAL 21 HG21 VAL 21 -0.573 -8.620 -1.413 179 HG22 VAL 21 HG22 VAL 21 0.224 -7.075 -1.711 180 HG23 VAL 21 HG23 VAL 21 1.019 -8.302 -0.725 181 H ASP 22 H ASP 22 0.825 -6.849 2.896 182 HA ASP 22 HA ASP 22 -0.528 -4.760 4.465 183 HB2 ASP 22 HB2 ASP 22 -1.741 -6.440 5.864 184 HB3 ASP 22 HB3 ASP 22 -2.349 -6.333 4.214 185 H ALA 23 H ALA 23 -0.041 -4.938 6.800 186 HA ALA 23 HA ALA 23 2.700 -5.192 7.273 187 HB1 ALA 23 HB1 ALA 23 2.020 -4.251 9.164 188 HB2 ALA 23 HB2 ALA 23 0.349 -4.697 8.821 189 HB3 ALA 23 HB3 ALA 23 1.393 -5.807 9.707 190 H GLU 24 H GLU 24 0.196 -7.663 7.327 191 HA GLU 24 HA GLU 24 1.425 -9.669 8.830 192 HB2 GLU 24 HB2 GLU 24 -0.770 -10.037 8.000 193 HB3 GLU 24 HB3 GLU 24 -0.266 -9.813 6.331 194 HG2 GLU 24 HG2 GLU 24 0.268 -11.955 6.100 195 HG3 GLU 24 HG3 GLU 24 1.160 -11.981 7.620 196 H THR 25 H THR 25 1.853 -8.988 5.339 197 HA THR 25 HA THR 25 4.086 -10.931 5.263 198 HB THR 25 HB THR 25 2.397 -10.845 3.417 199 HG1 THR 25 HG1 THR 25 4.815 -11.382 3.238 200 HG21 THR 25 HG21 THR 25 2.536 -9.038 1.772 201 HG22 THR 25 HG22 THR 25 3.714 -8.201 2.783 202 HG23 THR 25 HG23 THR 25 2.059 -8.419 3.352 203 H ALA 26 H ALA 26 3.463 -7.478 5.264 204 HA ALA 26 HA ALA 26 5.986 -6.606 4.259 205 HB1 ALA 26 HB1 ALA 26 5.062 -4.602 4.544 206 HB2 ALA 26 HB2 ALA 26 3.651 -5.412 5.226 207 HB3 ALA 26 HB3 ALA 26 4.935 -4.834 6.288 208 H GLU 27 H GLU 27 4.838 -7.038 7.634 209 HA GLU 27 HA GLU 27 7.174 -6.279 8.961 210 HB2 GLU 27 HB2 GLU 27 5.153 -6.791 10.174 211 HB3 GLU 27 HB3 GLU 27 5.192 -8.466 9.641 212 HG2 GLU 27 HG2 GLU 27 6.482 -9.056 11.340 213 HG3 GLU 27 HG3 GLU 27 7.635 -7.769 10.992 214 H LYS 28 H LYS 28 6.277 -9.644 8.068 215 HA LYS 28 HA LYS 28 8.660 -10.885 8.824 216 HB2 LYS 28 HB2 LYS 28 6.442 -11.469 7.002 217 HB3 LYS 28 HB3 LYS 28 7.952 -12.216 6.496 218 HG2 LYS 28 HG2 LYS 28 7.767 -13.782 8.049 219 HG3 LYS 28 HG3 LYS 28 7.566 -12.572 9.319 220 HD2 LYS 28 HD2 LYS 28 5.134 -12.455 8.162 221 HD3 LYS 28 HD3 LYS 28 5.543 -14.145 7.854 222 HE2 LYS 28 HE2 LYS 28 6.102 -13.188 10.580 223 HE3 LYS 28 HE3 LYS 28 4.397 -13.234 10.135 224 HZ1 LYS 28 HZ1 LYS 28 6.329 -15.467 10.242 225 HZ2 LYS 28 HZ2 LYS 28 4.901 -15.587 9.344 226 HZ3 LYS 28 HZ3 LYS 28 4.829 -15.329 11.014 227 H ALA 29 H ALA 29 7.928 -9.078 5.862 228 HA ALA 29 HA ALA 29 10.238 -9.790 4.380 229 HB1 ALA 29 HB1 ALA 29 9.570 -7.052 3.892 230 HB2 ALA 29 HB2 ALA 29 9.241 -8.471 2.897 231 HB3 ALA 29 HB3 ALA 29 8.085 -7.972 4.132 232 H PHE 30 H PHE 30 9.701 -7.201 6.775 233 HA PHE 30 HA PHE 30 12.410 -6.170 6.457 234 HB2 PHE 30 HB2 PHE 30 10.207 -5.637 8.465 235 HB3 PHE 30 HB3 PHE 30 11.777 -4.843 8.532 236 HD1 PHE 30 HD2 PHE 30 12.309 -4.348 5.686 237 HD2 PHE 30 HD1 PHE 30 8.712 -3.953 7.928 238 HE1 PHE 30 HE2 PHE 30 11.512 -2.642 4.102 239 HE2 PHE 30 HE1 PHE 30 7.910 -2.247 6.347 240 HZ PHE 30 HZ PHE 30 9.311 -1.589 4.432 241 H LYS 31 H LYS 31 10.669 -8.201 8.810 242 HA LYS 31 HA LYS 31 12.634 -8.407 10.789 243 HB2 LYS 31 HB2 LYS 31 10.594 -10.365 9.742 244 HB3 LYS 31 HB3 LYS 31 11.680 -10.806 11.054 245 HG2 LYS 31 HG2 LYS 31 10.490 -8.257 11.596 246 HG3 LYS 31 HG3 LYS 31 9.238 -9.445 11.225 247 HD2 LYS 31 HD2 LYS 31 10.187 -10.959 12.904 248 HD3 LYS 31 HD3 LYS 31 11.431 -9.763 13.276 249 HE2 LYS 31 HE2 LYS 31 9.946 -9.225 14.909 250 HE3 LYS 31 HE3 LYS 31 9.285 -8.226 13.616 251 HZ1 LYS 31 HZ1 LYS 31 7.789 -9.865 15.005 252 HZ2 LYS 31 HZ2 LYS 31 8.311 -10.972 13.838 253 HZ3 LYS 31 HZ3 LYS 31 7.491 -9.570 13.366 254 H GLN 32 H GLN 32 12.246 -10.456 7.871 255 HA GLN 32 HA GLN 32 14.512 -12.095 8.362 256 HB2 GLN 32 HB2 GLN 32 12.696 -12.506 6.675 257 HB3 GLN 32 HB3 GLN 32 13.423 -11.270 5.657 258 HG2 GLN 32 HG2 GLN 32 15.571 -12.716 5.906 259 HG3 GLN 32 HG3 GLN 32 14.433 -13.988 6.349 260 HE21 GLN 32 HE21 GLN 32 15.593 -11.930 3.817 261 HE22 GLN 32 HE22 GLN 32 14.791 -12.731 2.514 262 H TYR 33 H TYR 33 14.237 -8.822 7.240 263 HA TYR 33 HA TYR 33 16.866 -8.757 5.980 264 HB2 TYR 33 HB2 TYR 33 14.912 -7.241 5.415 265 HB3 TYR 33 HB3 TYR 33 15.214 -6.404 6.933 266 HD1 TYR 33 HD2 TYR 33 16.651 -7.203 3.622 267 HD2 TYR 33 HD1 TYR 33 16.972 -4.819 7.132 268 HE1 TYR 33 HE2 TYR 33 18.322 -5.789 2.502 269 HE2 TYR 33 HE1 TYR 33 18.644 -3.398 6.021 270 HH TYR 33 HH TYR 33 19.072 -3.079 3.005 271 H ALA 34 H ALA 34 15.463 -7.467 9.018 272 HA ALA 34 HA ALA 34 17.915 -6.402 10.015 273 HB1 ALA 34 HB1 ALA 34 16.617 -6.837 12.285 274 HB2 ALA 34 HB2 ALA 34 16.120 -5.573 11.159 275 HB3 ALA 34 HB3 ALA 34 15.269 -7.117 11.182 276 H ASN 35 H ASN 35 16.295 -9.547 10.567 277 HA ASN 35 HA ASN 35 18.220 -10.552 12.407 278 HB2 ASN 35 HB2 ASN 35 15.964 -11.536 11.983 279 HB3 ASN 35 HB3 ASN 35 16.545 -12.134 10.432 280 HD21 ASN 35 HD21 ASN 35 15.763 -14.152 11.539 281 HD22 ASN 35 HD22 ASN 35 16.927 -15.034 12.463 282 H ASP 36 H ASP 36 18.289 -10.153 8.958 283 HA ASP 36 HA ASP 36 20.412 -12.110 8.521 284 HB2 ASP 36 HB2 ASP 36 18.808 -10.247 6.896 285 HB3 ASP 36 HB3 ASP 36 20.468 -10.439 6.339 286 H ASN 37 H ASN 37 20.176 -8.752 9.419 287 HA ASN 37 HA ASN 37 23.119 -8.453 8.995 288 HB2 ASN 37 HB2 ASN 37 20.958 -6.359 9.386 289 HB3 ASN 37 HB3 ASN 37 22.677 -6.010 9.232 290 HD21 ASN 37 HD21 ASN 37 23.454 -7.677 7.246 291 HD22 ASN 37 HD22 ASN 37 22.649 -7.267 5.773 292 H GLY 38 H GLY 38 21.939 -9.972 11.183 293 HA2 GLY 38 HA2 GLY 38 22.099 -10.124 13.488 294 HA3 GLY 38 HA3 GLY 38 23.531 -9.123 13.307 295 H VAL 39 H VAL 39 20.079 -8.392 12.766 296 HA VAL 39 HA VAL 39 20.371 -6.247 14.837 297 HB VAL 39 HB VAL 39 18.512 -6.176 12.449 298 HG11 VAL 39 HG11 VAL 39 17.564 -4.564 13.672 299 HG12 VAL 39 HG12 VAL 39 18.913 -4.515 14.809 300 HG13 VAL 39 HG13 VAL 39 18.997 -3.606 13.299 301 HG21 VAL 39 HG21 VAL 39 20.413 -5.868 11.276 302 HG22 VAL 39 HG22 VAL 39 20.328 -4.240 11.947 303 HG23 VAL 39 HG23 VAL 39 21.356 -5.454 12.708 304 H ASP 40 H ASP 40 19.161 -6.495 16.576 305 HA ASP 40 HA ASP 40 16.450 -7.646 16.284 306 HB2 ASP 40 HB2 ASP 40 18.074 -9.528 16.800 307 HB3 ASP 40 HB3 ASP 40 18.373 -8.745 18.350 308 H GLY 41 H GLY 41 15.043 -7.199 18.053 309 HA2 GLY 41 HA2 GLY 41 15.627 -5.984 20.456 310 HA3 GLY 41 HA3 GLY 41 15.689 -4.652 19.312 311 H VAL 42 H VAL 42 13.909 -3.476 19.518 312 HA VAL 42 HA VAL 42 11.364 -4.843 20.152 313 HB VAL 42 HB VAL 42 11.907 -1.882 19.809 314 HG11 VAL 42 HG11 VAL 42 9.596 -2.223 19.588 315 HG12 VAL 42 HG12 VAL 42 9.571 -3.460 20.847 316 HG13 VAL 42 HG13 VAL 42 9.824 -1.767 21.276 317 HG21 VAL 42 HG21 VAL 42 11.982 -3.637 22.254 318 HG22 VAL 42 HG22 VAL 42 13.276 -2.630 21.604 319 HG23 VAL 42 HG23 VAL 42 11.852 -1.879 22.325 320 H TRP 43 H TRP 43 9.449 -4.583 18.935 321 HA TRP 43 HA TRP 43 9.922 -3.738 16.105 322 HB2 TRP 43 HB2 TRP 43 8.737 -6.281 17.173 323 HB3 TRP 43 HB3 TRP 43 8.139 -5.630 15.649 324 HD1 TRP 43 HD1 TRP 43 10.990 -7.575 17.119 325 HE1 TRP 43 HE1 TRP 43 12.684 -8.162 15.273 326 HE3 TRP 43 HE3 TRP 43 9.176 -4.600 13.378 327 HZ2 TRP 43 HZ2 TRP 43 13.185 -7.457 12.586 328 HZ3 TRP 43 HZ3 TRP 43 10.321 -4.614 11.200 329 HH2 TRP 43 HH2 TRP 43 12.284 -6.014 10.814 330 H THR 44 H THR 44 8.972 -1.722 16.567 331 HA THR 44 HA THR 44 6.086 -1.830 17.314 332 HB THR 44 HB THR 44 6.635 0.820 17.253 333 HG1 THR 44 HG1 THR 44 8.712 1.200 17.901 334 HG21 THR 44 HG21 THR 44 7.052 0.613 19.722 335 HG22 THR 44 HG22 THR 44 7.107 -1.135 19.500 336 HG23 THR 44 HG23 THR 44 5.628 -0.247 19.140 337 H TYR 45 H TYR 45 4.809 -2.054 15.596 338 HA TYR 45 HA TYR 45 5.420 -0.330 13.226 339 HB2 TYR 45 HB2 TYR 45 5.108 -2.078 11.841 340 HB3 TYR 45 HB3 TYR 45 5.297 -3.089 13.270 341 HD1 TYR 45 HD1 TYR 45 2.885 -1.630 10.916 342 HD2 TYR 45 HD2 TYR 45 3.401 -4.196 14.271 343 HE1 TYR 45 HE1 TYR 45 0.609 -2.505 10.590 344 HE2 TYR 45 HE2 TYR 45 1.127 -5.078 13.954 345 HH TYR 45 HH TYR 45 -1.027 -4.276 12.899 346 H ASP 46 H ASP 46 3.722 0.712 12.191 347 HA ASP 46 HA ASP 46 1.160 0.705 13.739 348 HB2 ASP 46 HB2 ASP 46 2.445 2.791 14.058 349 HB3 ASP 46 HB3 ASP 46 2.471 3.042 12.315 350 H ASP 47 H ASP 47 -0.627 0.227 12.653 351 HA ASP 47 HA ASP 47 -0.405 -0.285 9.773 352 HB2 ASP 47 HB2 ASP 47 -2.471 -1.399 9.970 353 HB3 ASP 47 HB3 ASP 47 -1.664 -1.718 11.503 354 H ALA 48 H ALA 48 -0.810 2.460 11.480 355 HA ALA 48 HA ALA 48 -2.973 3.570 9.780 356 HB1 ALA 48 HB1 ALA 48 -1.918 4.135 12.401 357 HB2 ALA 48 HB2 ALA 48 -1.911 5.594 11.410 358 HB3 ALA 48 HB3 ALA 48 -3.410 4.697 11.646 359 H THR 49 H THR 49 0.261 4.725 10.846 360 HA THR 49 HA THR 49 0.503 6.121 8.231 361 HB THR 49 HB THR 49 0.904 7.472 10.238 362 HG1 THR 49 HG1 THR 49 3.195 8.037 9.634 363 HG21 THR 49 HG21 THR 49 2.576 5.183 10.968 364 HG22 THR 49 HG22 THR 49 1.810 6.398 11.991 365 HG23 THR 49 HG23 THR 49 3.357 6.744 11.220 366 H LYS 50 H LYS 50 0.768 3.238 8.381 367 HA LYS 50 HA LYS 50 2.388 1.547 8.101 368 HB2 LYS 50 HB2 LYS 50 2.312 3.475 5.852 369 HB3 LYS 50 HB3 LYS 50 3.659 2.345 5.835 370 HG2 LYS 50 HG2 LYS 50 2.253 0.969 4.790 371 HG3 LYS 50 HG3 LYS 50 1.544 0.705 6.385 372 HD2 LYS 50 HD2 LYS 50 -0.367 1.353 5.390 373 HD3 LYS 50 HD3 LYS 50 0.276 2.981 5.614 374 HE2 LYS 50 HE2 LYS 50 1.443 2.488 3.314 375 HE3 LYS 50 HE3 LYS 50 0.145 1.306 3.150 376 HZ1 LYS 50 HZ1 LYS 50 -0.207 3.688 2.279 377 HZ2 LYS 50 HZ2 LYS 50 -0.474 4.086 3.901 378 HZ3 LYS 50 HZ3 LYS 50 -1.459 2.942 3.138 379 H THR 51 H THR 51 3.479 2.670 10.147 380 HA THR 51 HA THR 51 6.272 3.365 9.325 381 HB THR 51 HB THR 51 4.793 4.099 11.870 382 HG1 THR 51 HG1 THR 51 5.435 6.272 10.854 383 HG21 THR 51 HG21 THR 51 7.141 5.595 11.652 384 HG22 THR 51 HG22 THR 51 7.616 3.940 11.271 385 HG23 THR 51 HG23 THR 51 6.812 4.298 12.800 386 H PHE 52 H PHE 52 7.860 2.023 9.861 387 HA PHE 52 HA PHE 52 7.267 -0.016 11.968 388 HB2 PHE 52 HB2 PHE 52 8.433 -0.298 9.231 389 HB3 PHE 52 HB3 PHE 52 9.076 -1.327 10.507 390 HD1 PHE 52 HD1 PHE 52 5.803 -0.228 9.100 391 HD2 PHE 52 HD2 PHE 52 8.071 -3.357 10.884 392 HE1 PHE 52 HE1 PHE 52 3.905 -1.766 8.807 393 HE2 PHE 52 HE2 PHE 52 6.177 -4.901 10.593 394 HZ PHE 52 HZ PHE 52 4.091 -4.106 9.553 395 H THR 53 H THR 53 8.450 0.331 13.710 396 HA THR 53 HA THR 53 11.160 1.532 13.335 397 HB THR 53 HB THR 53 9.613 1.370 15.931 398 HG1 THR 53 HG1 THR 53 9.353 3.760 15.279 399 HG21 THR 53 HG21 THR 53 12.041 2.862 14.977 400 HG22 THR 53 HG22 THR 53 11.869 1.820 16.390 401 HG23 THR 53 HG23 THR 53 11.109 3.411 16.370 402 H VAL 54 H VAL 54 12.967 0.523 14.024 403 HA VAL 54 HA VAL 54 12.607 -2.008 15.568 404 HB VAL 54 HB VAL 54 14.322 -1.650 13.097 405 HG11 VAL 54 HG11 VAL 54 14.461 -4.298 13.805 406 HG12 VAL 54 HG12 VAL 54 15.718 -3.092 14.085 407 HG13 VAL 54 HG13 VAL 54 14.560 -3.473 15.361 408 HG21 VAL 54 HG21 VAL 54 12.091 -2.107 12.456 409 HG22 VAL 54 HG22 VAL 54 12.957 -3.640 12.339 410 HG23 VAL 54 HG23 VAL 54 11.901 -3.326 13.716 411 H THR 55 H THR 55 13.294 -0.922 17.437 412 HA THR 55 HA THR 55 16.041 0.207 17.369 413 HB THR 55 HB THR 55 14.193 0.136 19.759 414 HG1 THR 55 HG1 THR 55 13.873 2.453 18.890 415 HG21 THR 55 HG21 THR 55 15.586 1.709 20.695 416 HG22 THR 55 HG22 THR 55 16.138 2.308 19.131 417 HG23 THR 55 HG23 THR 55 16.749 0.776 19.755 418 H GLU 56 H GLU 56 17.763 -0.646 18.429 419 HA GLU 56 HA GLU 56 17.353 -3.395 19.489 420 HB2 GLU 56 HB2 GLU 56 19.622 -3.807 19.006 421 HB3 GLU 56 HB3 GLU 56 19.046 -2.851 17.647 422 HG2 GLU 56 HG2 GLU 56 21.010 -1.791 18.054 423 HG3 GLU 56 HG3 GLU 56 19.950 -0.855 19.107 Start of MODEL 57 1 H1 MET 1 H MET 1 1.182 2.003 1.026 2 HA MET 1 HA MET 1 1.166 -0.625 -0.291 3 HB2 MET 1 HB2 MET 1 0.938 2.064 -1.271 4 HB3 MET 1 HB3 MET 1 2.360 1.306 -1.975 5 HG2 MET 1 HG2 MET 1 0.734 0.760 -3.495 6 HG3 MET 1 HG3 MET 1 0.752 -0.667 -2.462 7 HE1 MET 1 HE1 MET 1 -2.553 0.601 -4.152 8 HE2 MET 1 HE2 MET 1 -1.168 -0.484 -4.282 9 HE3 MET 1 HE3 MET 1 -2.581 -0.965 -3.341 10 H GLN 2 H GLN 2 3.171 1.814 1.191 11 HA GLN 2 HA GLN 2 5.469 -0.051 0.956 12 HB2 GLN 2 HB2 GLN 2 5.387 2.796 -0.006 13 HB3 GLN 2 HB3 GLN 2 6.892 2.114 0.596 14 HG2 GLN 2 HG2 GLN 2 7.048 0.590 -1.134 15 HG3 GLN 2 HG3 GLN 2 5.327 0.679 -1.503 16 HE21 GLN 2 HE21 GLN 2 8.417 1.821 -2.249 17 HE22 GLN 2 HE22 GLN 2 7.961 3.054 -3.370 18 H TYR 3 H TYR 3 6.244 -0.438 2.905 19 HA TYR 3 HA TYR 3 5.710 1.570 5.036 20 HB2 TYR 3 HB2 TYR 3 6.727 -1.261 5.379 21 HB3 TYR 3 HB3 TYR 3 6.021 -0.213 6.605 22 HD1 TYR 3 HD1 TYR 3 3.589 0.253 6.583 23 HD2 TYR 3 HD2 TYR 3 5.351 -2.546 3.906 24 HE1 TYR 3 HE1 TYR 3 1.368 -0.697 6.123 25 HE2 TYR 3 HE2 TYR 3 3.134 -3.502 3.437 26 HH TYR 3 HH TYR 3 0.908 -3.192 3.675 27 H LYS 4 H LYS 4 7.309 2.346 6.405 28 HA LYS 4 HA LYS 4 10.037 2.194 5.223 29 HB2 LYS 4 HB2 LYS 4 9.133 4.434 5.494 30 HB3 LYS 4 HB3 LYS 4 8.796 4.135 7.194 31 HG2 LYS 4 HG2 LYS 4 10.761 5.464 7.062 32 HG3 LYS 4 HG3 LYS 4 11.247 3.839 7.551 33 HD2 LYS 4 HD2 LYS 4 12.698 3.847 5.864 34 HD3 LYS 4 HD3 LYS 4 11.324 3.829 4.756 35 HE2 LYS 4 HE2 LYS 4 12.715 6.268 5.858 36 HE3 LYS 4 HE3 LYS 4 12.824 5.655 4.209 37 HZ1 LYS 4 HZ1 LYS 4 10.433 6.057 3.971 38 HZ2 LYS 4 HZ2 LYS 4 11.279 7.481 4.314 39 HZ3 LYS 4 HZ3 LYS 4 10.384 6.716 5.528 40 H LEU 5 H LEU 5 11.705 1.259 6.224 41 HA LEU 5 HA LEU 5 11.238 0.348 9.036 42 HB2 LEU 5 HB2 LEU 5 11.301 -1.466 7.346 43 HB3 LEU 5 HB3 LEU 5 12.932 -0.967 6.904 44 HG LEU 5 HG LEU 5 13.495 -1.430 9.386 45 HD11 LEU 5 HD11 LEU 5 11.319 -1.697 10.296 46 HD12 LEU 5 HD12 LEU 5 12.077 -3.289 10.300 47 HD13 LEU 5 HD13 LEU 5 10.880 -2.885 9.069 48 HD21 LEU 5 HD21 LEU 5 14.593 -2.909 8.094 49 HD22 LEU 5 HD22 LEU 5 13.178 -3.255 7.100 50 HD23 LEU 5 HD23 LEU 5 13.364 -4.034 8.672 51 H VAL 6 H VAL 6 12.318 1.683 10.334 52 HA VAL 6 HA VAL 6 15.036 2.564 9.473 53 HB VAL 6 HB VAL 6 13.245 3.633 11.672 54 HG11 VAL 6 HG11 VAL 6 16.025 4.326 10.800 55 HG12 VAL 6 HG12 VAL 6 14.981 5.539 11.544 56 HG13 VAL 6 HG13 VAL 6 15.398 4.071 12.428 57 HG21 VAL 6 HG21 VAL 6 14.039 4.935 9.074 58 HG22 VAL 6 HG22 VAL 6 12.516 4.080 9.320 59 HG23 VAL 6 HG23 VAL 6 12.877 5.527 10.262 60 H ILE 7 H ILE 7 16.847 2.121 10.628 61 HA ILE 7 HA ILE 7 16.469 0.207 12.892 62 HB ILE 7 HB ILE 7 18.836 0.598 11.044 63 HG12 ILE 7 HG12 ILE 7 17.360 -1.975 11.347 64 HG13 ILE 7 HG13 ILE 7 16.594 -0.693 10.415 65 HG21 ILE 7 HG21 ILE 7 19.626 0.054 13.257 66 HG22 ILE 7 HG22 ILE 7 18.474 -1.275 13.377 67 HG23 ILE 7 HG23 ILE 7 19.796 -1.357 12.213 68 HD11 ILE 7 HD11 ILE 7 19.385 -1.642 9.862 69 HD12 ILE 7 HD12 ILE 7 17.960 -2.372 9.123 70 HD13 ILE 7 HD13 ILE 7 18.332 -0.673 8.833 71 H ASN 8 H ASN 8 16.772 1.006 14.847 72 HA ASN 8 HA ASN 8 18.568 3.371 15.124 73 HB2 ASN 8 HB2 ASN 8 16.102 2.456 16.471 74 HB3 ASN 8 HB3 ASN 8 17.335 3.094 17.554 75 HD21 ASN 8 HD21 ASN 8 18.430 5.139 16.437 76 HD22 ASN 8 HD22 ASN 8 17.289 6.342 15.953 77 H GLY 9 H GLY 9 20.089 1.262 14.737 78 HA2 GLY 9 HA2 GLY 9 20.681 -0.004 17.341 79 HA3 GLY 9 HA3 GLY 9 21.412 -0.399 15.792 80 H LYS 10 H LYS 10 22.903 -0.147 18.134 81 HA LYS 10 HA LYS 10 24.066 2.528 18.221 82 HB2 LYS 10 HB2 LYS 10 24.630 -0.106 19.552 83 HB3 LYS 10 HB3 LYS 10 25.827 1.180 19.627 84 HG2 LYS 10 HG2 LYS 10 23.127 2.058 20.302 85 HG3 LYS 10 HG3 LYS 10 23.769 0.819 21.384 86 HD2 LYS 10 HD2 LYS 10 25.906 2.338 21.351 87 HD3 LYS 10 HD3 LYS 10 24.760 3.586 20.857 88 HE2 LYS 10 HE2 LYS 10 23.383 2.649 22.898 89 HE3 LYS 10 HE3 LYS 10 24.972 2.103 23.432 90 HZ1 LYS 10 HZ1 LYS 10 24.291 4.904 22.719 91 HZ2 LYS 10 HZ2 LYS 10 25.774 4.358 23.319 92 HZ3 LYS 10 HZ3 LYS 10 24.395 4.304 24.297 93 H THR 11 H THR 11 24.636 -0.453 16.506 94 HA THR 11 HA THR 11 27.043 0.821 15.269 95 HB THR 11 HB THR 11 27.199 -2.033 15.034 96 HG1 THR 11 HG1 THR 11 27.173 -2.670 17.135 97 HG21 THR 11 HG21 THR 11 29.057 -0.682 16.861 98 HG22 THR 11 HG22 THR 11 28.902 0.085 15.280 99 HG23 THR 11 HG23 THR 11 29.380 -1.609 15.396 100 H LEU 12 H LEU 12 24.040 0.492 14.628 101 HA LEU 12 HA LEU 12 24.497 -0.081 11.789 102 HB2 LEU 12 HB2 LEU 12 23.762 -2.209 13.307 103 HB3 LEU 12 HB3 LEU 12 22.183 -1.568 12.857 104 HG LEU 12 HG LEU 12 22.746 -1.801 10.497 105 HD11 LEU 12 HD11 LEU 12 24.892 -3.288 10.137 106 HD12 LEU 12 HD12 LEU 12 25.416 -2.479 11.613 107 HD13 LEU 12 HD13 LEU 12 24.991 -1.528 10.191 108 HD21 LEU 12 HD21 LEU 12 21.679 -3.717 11.070 109 HD22 LEU 12 HD22 LEU 12 22.817 -4.099 12.362 110 HD23 LEU 12 HD23 LEU 12 23.252 -4.415 10.682 111 H LYS 13 H LYS 13 23.491 1.455 10.703 112 HA LYS 13 HA LYS 13 20.790 2.290 11.601 113 HB2 LYS 13 HB2 LYS 13 22.832 4.384 10.871 114 HB3 LYS 13 HB3 LYS 13 21.286 4.590 11.685 115 HG2 LYS 13 HG2 LYS 13 22.359 3.167 13.560 116 HG3 LYS 13 HG3 LYS 13 23.883 3.603 12.784 117 HD2 LYS 13 HD2 LYS 13 23.812 5.473 14.003 118 HD3 LYS 13 HD3 LYS 13 22.515 6.001 12.929 119 HE2 LYS 13 HE2 LYS 13 20.992 4.646 14.546 120 HE3 LYS 13 HE3 LYS 13 22.346 4.802 15.664 121 HZ1 LYS 13 HZ1 LYS 13 20.533 6.573 15.728 122 HZ2 LYS 13 HZ2 LYS 13 21.213 7.162 14.296 123 HZ3 LYS 13 HZ3 LYS 13 22.140 7.103 15.711 124 H GLY 14 H GLY 14 19.426 2.918 9.974 125 HA2 GLY 14 HA2 GLY 14 20.089 3.869 7.448 126 HA3 GLY 14 HA3 GLY 14 20.217 2.123 7.303 127 H GLU 15 H GLU 15 18.495 2.681 5.646 128 HA GLU 15 HA GLU 15 15.862 2.382 7.016 129 HB2 GLU 15 HB2 GLU 15 16.675 4.415 4.984 130 HB3 GLU 15 HB3 GLU 15 15.058 3.735 4.861 131 HG2 GLU 15 HG2 GLU 15 14.379 4.634 6.874 132 HG3 GLU 15 HG3 GLU 15 16.028 4.804 7.472 133 H THR 16 H THR 16 14.468 0.946 6.118 134 HA THR 16 HA THR 16 15.331 -0.305 3.543 135 HB THR 16 HB THR 16 13.998 -2.263 5.135 136 HG1 THR 16 HG1 THR 16 14.929 -0.796 6.847 137 HG21 THR 16 HG21 THR 16 15.426 -3.247 3.688 138 HG22 THR 16 HG22 THR 16 16.578 -3.090 5.014 139 HG23 THR 16 HG23 THR 16 16.554 -1.893 3.720 140 H THR 17 H THR 17 13.798 0.629 2.264 141 HA THR 17 HA THR 17 10.961 0.376 3.126 142 HB THR 17 HB THR 17 10.409 2.020 1.542 143 HG1 THR 17 HG1 THR 17 11.446 1.287 -0.290 144 HG21 THR 17 HG21 THR 17 13.066 3.189 1.965 145 HG22 THR 17 HG22 THR 17 12.305 2.565 3.429 146 HG23 THR 17 HG23 THR 17 11.478 3.778 2.453 147 H THR 18 H THR 18 9.380 -0.603 1.846 148 HA THR 18 HA THR 18 10.143 -1.950 -0.632 149 HB THR 18 HB THR 18 10.996 -3.491 1.182 150 HG1 THR 18 HG1 THR 18 10.575 -4.447 -0.762 151 HG21 THR 18 HG21 THR 18 8.255 -4.462 1.694 152 HG22 THR 18 HG22 THR 18 8.697 -2.949 2.486 153 HG23 THR 18 HG23 THR 18 9.656 -4.402 2.763 154 H LYS 19 H LYS 19 8.204 -3.698 -1.057 155 HA LYS 19 HA LYS 19 5.709 -2.120 -0.558 156 HB2 LYS 19 HB2 LYS 19 4.950 -2.648 -2.712 157 HB3 LYS 19 HB3 LYS 19 6.657 -2.299 -2.951 158 HG2 LYS 19 HG2 LYS 19 6.637 -5.007 -2.469 159 HG3 LYS 19 HG3 LYS 19 5.169 -4.750 -3.415 160 HD2 LYS 19 HD2 LYS 19 7.914 -3.765 -4.193 161 HD3 LYS 19 HD3 LYS 19 7.162 -5.239 -4.808 162 HE2 LYS 19 HE2 LYS 19 5.262 -3.216 -5.166 163 HE3 LYS 19 HE3 LYS 19 6.803 -2.507 -5.648 164 HZ1 LYS 19 HZ1 LYS 19 6.987 -4.835 -6.870 165 HZ2 LYS 19 HZ2 LYS 19 6.252 -3.493 -7.589 166 HZ3 LYS 19 HZ3 LYS 19 5.302 -4.689 -6.863 167 H ALA 20 H ALA 20 3.726 -3.286 -0.336 168 HA ALA 20 HA ALA 20 3.647 -6.148 -0.179 169 HB1 ALA 20 HB1 ALA 20 4.722 -6.365 1.794 170 HB2 ALA 20 HB2 ALA 20 4.426 -4.692 2.270 171 HB3 ALA 20 HB3 ALA 20 3.157 -5.902 2.465 172 H VAL 21 H VAL 21 1.574 -6.964 0.348 173 HA VAL 21 HA VAL 21 -0.552 -5.109 -0.285 174 HB VAL 21 HB VAL 21 -2.050 -7.051 0.128 175 HG11 VAL 21 HG11 VAL 21 -0.248 -8.510 -1.489 176 HG12 VAL 21 HG12 VAL 21 -1.603 -7.501 -1.999 177 HG13 VAL 21 HG13 VAL 21 0.006 -6.798 -1.830 178 HG21 VAL 21 HG21 VAL 21 0.386 -8.091 1.397 179 HG22 VAL 21 HG22 VAL 21 -1.308 -8.471 1.709 180 HG23 VAL 21 HG23 VAL 21 -0.465 -9.238 0.363 181 H ASP 22 H ASP 22 0.617 -6.675 2.678 182 HA ASP 22 HA ASP 22 -0.774 -4.645 4.268 183 HB2 ASP 22 HB2 ASP 22 -1.833 -6.477 5.726 184 HB3 ASP 22 HB3 ASP 22 -2.614 -6.122 4.187 185 H ALA 23 H ALA 23 -0.192 -4.732 6.556 186 HA ALA 23 HA ALA 23 2.579 -5.103 6.926 187 HB1 ALA 23 HB1 ALA 23 1.254 -3.654 8.348 188 HB2 ALA 23 HB2 ALA 23 0.375 -5.038 8.998 189 HB3 ALA 23 HB3 ALA 23 2.096 -4.849 9.334 190 H GLU 24 H GLU 24 -0.034 -7.389 7.073 191 HA GLU 24 HA GLU 24 0.959 -9.325 8.831 192 HB2 GLU 24 HB2 GLU 24 -1.201 -9.616 7.865 193 HB3 GLU 24 HB3 GLU 24 -0.556 -9.601 6.230 194 HG2 GLU 24 HG2 GLU 24 -0.045 -11.777 6.274 195 HG3 GLU 24 HG3 GLU 24 0.535 -11.712 7.938 196 H THR 25 H THR 25 1.561 -9.118 5.297 197 HA THR 25 HA THR 25 3.727 -11.107 5.582 198 HB THR 25 HB THR 25 2.128 -11.187 3.655 199 HG1 THR 25 HG1 THR 25 4.222 -12.125 3.491 200 HG21 THR 25 HG21 THR 25 3.623 -8.756 2.670 201 HG22 THR 25 HG22 THR 25 1.988 -8.718 3.332 202 HG23 THR 25 HG23 THR 25 2.319 -9.610 1.847 203 H ALA 26 H ALA 26 3.257 -7.662 5.170 204 HA ALA 26 HA ALA 26 5.875 -7.029 4.194 205 HB1 ALA 26 HB1 ALA 26 4.581 -5.046 5.948 206 HB2 ALA 26 HB2 ALA 26 5.170 -4.892 4.292 207 HB3 ALA 26 HB3 ALA 26 3.594 -5.620 4.603 208 H GLU 27 H GLU 27 4.498 -6.871 7.510 209 HA GLU 27 HA GLU 27 6.808 -6.060 8.856 210 HB2 GLU 27 HB2 GLU 27 4.710 -6.212 10.012 211 HB3 GLU 27 HB3 GLU 27 4.604 -7.943 9.725 212 HG2 GLU 27 HG2 GLU 27 6.144 -8.449 11.350 213 HG3 GLU 27 HG3 GLU 27 6.912 -6.865 11.266 214 H LYS 28 H LYS 28 5.880 -9.304 7.761 215 HA LYS 28 HA LYS 28 8.040 -10.662 9.104 216 HB2 LYS 28 HB2 LYS 28 5.839 -11.338 7.393 217 HB3 LYS 28 HB3 LYS 28 7.297 -12.081 6.749 218 HG2 LYS 28 HG2 LYS 28 7.515 -13.497 8.496 219 HG3 LYS 28 HG3 LYS 28 6.857 -12.343 9.658 220 HD2 LYS 28 HD2 LYS 28 4.639 -12.772 8.280 221 HD3 LYS 28 HD3 LYS 28 5.453 -14.292 7.901 222 HE2 LYS 28 HE2 LYS 28 5.811 -13.922 10.647 223 HE3 LYS 28 HE3 LYS 28 4.138 -13.464 10.332 224 HZ1 LYS 28 HZ1 LYS 28 5.101 -16.009 10.624 225 HZ2 LYS 28 HZ2 LYS 28 4.861 -15.855 8.957 226 HZ3 LYS 28 HZ3 LYS 28 3.579 -15.577 10.025 227 H ALA 29 H ALA 29 7.682 -9.058 5.981 228 HA ALA 29 HA ALA 29 10.046 -10.118 4.766 229 HB1 ALA 29 HB1 ALA 29 9.400 -8.866 3.034 230 HB2 ALA 29 HB2 ALA 29 7.997 -8.424 4.007 231 HB3 ALA 29 HB3 ALA 29 9.419 -7.381 3.986 232 H PHE 30 H PHE 30 9.450 -7.301 6.853 233 HA PHE 30 HA PHE 30 12.165 -6.303 6.587 234 HB2 PHE 30 HB2 PHE 30 10.076 -5.693 8.703 235 HB3 PHE 30 HB3 PHE 30 11.529 -4.754 8.374 236 HD1 PHE 30 HD2 PHE 30 11.751 -3.933 5.875 237 HD2 PHE 30 HD1 PHE 30 8.096 -5.004 7.774 238 HE1 PHE 30 HE2 PHE 30 10.508 -2.583 4.236 239 HE2 PHE 30 HE1 PHE 30 6.847 -3.657 6.137 240 HZ PHE 30 HZ PHE 30 8.053 -2.443 4.366 241 H LYS 31 H LYS 31 10.402 -8.343 8.890 242 HA LYS 31 HA LYS 31 12.437 -8.416 10.895 243 HB2 LYS 31 HB2 LYS 31 9.957 -9.235 10.933 244 HB3 LYS 31 HB3 LYS 31 10.620 -10.747 10.328 245 HG2 LYS 31 HG2 LYS 31 11.796 -11.164 12.278 246 HG3 LYS 31 HG3 LYS 31 11.767 -9.470 12.775 247 HD2 LYS 31 HD2 LYS 31 9.320 -11.224 12.615 248 HD3 LYS 31 HD3 LYS 31 10.253 -10.963 14.091 249 HE2 LYS 31 HE2 LYS 31 9.249 -9.012 14.458 250 HE3 LYS 31 HE3 LYS 31 9.612 -8.454 12.826 251 HZ1 LYS 31 HZ1 LYS 31 7.301 -10.151 13.602 252 HZ2 LYS 31 HZ2 LYS 31 7.651 -9.627 12.033 253 HZ3 LYS 31 HZ3 LYS 31 7.235 -8.502 13.227 254 H GLN 32 H GLN 32 12.317 -9.729 7.746 255 HA GLN 32 HA GLN 32 14.134 -11.963 8.355 256 HB2 GLN 32 HB2 GLN 32 12.260 -11.700 6.468 257 HB3 GLN 32 HB3 GLN 32 13.620 -11.059 5.557 258 HG2 GLN 32 HG2 GLN 32 14.774 -13.265 6.479 259 HG3 GLN 32 HG3 GLN 32 13.098 -13.810 6.512 260 HE21 GLN 32 HE21 GLN 32 15.008 -11.792 4.302 261 HE22 GLN 32 HE22 GLN 32 14.623 -12.689 2.877 262 H TYR 33 H TYR 33 14.349 -8.627 7.643 263 HA TYR 33 HA TYR 33 17.026 -8.848 6.423 264 HB2 TYR 33 HB2 TYR 33 15.243 -7.115 5.792 265 HB3 TYR 33 HB3 TYR 33 15.642 -6.309 7.306 266 HD1 TYR 33 HD1 TYR 33 17.324 -7.655 4.252 267 HD2 TYR 33 HD2 TYR 33 17.266 -4.666 7.279 268 HE1 TYR 33 HE1 TYR 33 19.188 -6.499 3.138 269 HE2 TYR 33 HE2 TYR 33 19.129 -3.501 6.173 270 HH TYR 33 HH TYR 33 20.525 -3.480 4.452 271 H ALA 34 H ALA 34 15.643 -7.108 9.249 272 HA ALA 34 HA ALA 34 18.036 -6.393 10.479 273 HB1 ALA 34 HB1 ALA 34 16.358 -5.492 11.673 274 HB2 ALA 34 HB2 ALA 34 15.267 -6.843 11.365 275 HB3 ALA 34 HB3 ALA 34 16.479 -6.961 12.640 276 H ASN 35 H ASN 35 16.178 -9.422 10.987 277 HA ASN 35 HA ASN 35 17.943 -10.583 12.863 278 HB2 ASN 35 HB2 ASN 35 15.723 -11.493 12.379 279 HB3 ASN 35 HB3 ASN 35 16.233 -11.937 10.752 280 HD21 ASN 35 HD21 ASN 35 15.516 -14.071 11.401 281 HD22 ASN 35 HD22 ASN 35 16.599 -15.093 12.278 282 H ASP 36 H ASP 36 18.149 -10.304 9.369 283 HA ASP 36 HA ASP 36 20.385 -12.212 9.221 284 HB2 ASP 36 HB2 ASP 36 18.486 -11.422 7.420 285 HB3 ASP 36 HB3 ASP 36 19.860 -10.444 6.912 286 H ASN 37 H ASN 37 19.951 -8.944 10.001 287 HA ASN 37 HA ASN 37 22.780 -8.341 9.243 288 HB2 ASN 37 HB2 ASN 37 20.379 -6.544 9.643 289 HB3 ASN 37 HB3 ASN 37 22.025 -5.922 9.594 290 HD21 ASN 37 HD21 ASN 37 19.333 -6.758 7.795 291 HD22 ASN 37 HD22 ASN 37 20.046 -6.709 6.222 292 H GLY 38 H GLY 38 21.961 -9.888 11.572 293 HA2 GLY 38 HA2 GLY 38 22.313 -9.925 13.863 294 HA3 GLY 38 HA3 GLY 38 23.643 -8.830 13.516 295 H VAL 39 H VAL 39 20.090 -8.451 13.359 296 HA VAL 39 HA VAL 39 20.393 -6.222 15.334 297 HB VAL 39 HB VAL 39 18.390 -6.236 13.069 298 HG11 VAL 39 HG11 VAL 39 17.769 -4.876 14.976 299 HG12 VAL 39 HG12 VAL 39 19.343 -4.079 14.950 300 HG13 VAL 39 HG13 VAL 39 18.211 -3.843 13.617 301 HG21 VAL 39 HG21 VAL 39 20.074 -4.296 12.341 302 HG22 VAL 39 HG22 VAL 39 21.224 -5.379 13.123 303 HG23 VAL 39 HG23 VAL 39 20.240 -5.960 11.781 304 H ASP 40 H ASP 40 19.057 -6.235 17.031 305 HA ASP 40 HA ASP 40 16.540 -7.780 16.872 306 HB2 ASP 40 HB2 ASP 40 18.677 -9.128 17.792 307 HB3 ASP 40 HB3 ASP 40 18.197 -8.329 19.286 308 H GLY 41 H GLY 41 15.132 -6.230 17.381 309 HA2 GLY 41 HA2 GLY 41 15.464 -4.938 20.023 310 HA3 GLY 41 HA3 GLY 41 15.349 -3.878 18.626 311 H VAL 42 H VAL 42 13.443 -2.912 19.335 312 HA VAL 42 HA VAL 42 11.109 -4.628 19.833 313 HB VAL 42 HB VAL 42 11.053 -1.629 19.516 314 HG11 VAL 42 HG11 VAL 42 9.307 -2.023 21.388 315 HG12 VAL 42 HG12 VAL 42 8.881 -2.420 19.722 316 HG13 VAL 42 HG13 VAL 42 9.347 -3.699 20.843 317 HG21 VAL 42 HG21 VAL 42 12.177 -3.260 21.744 318 HG22 VAL 42 HG22 VAL 42 12.734 -1.724 21.081 319 HG23 VAL 42 HG23 VAL 42 11.312 -1.771 22.123 320 H TRP 43 H TRP 43 9.049 -4.270 18.700 321 HA TRP 43 HA TRP 43 9.500 -3.541 15.834 322 HB2 TRP 43 HB2 TRP 43 8.208 -5.981 17.023 323 HB3 TRP 43 HB3 TRP 43 7.654 -5.375 15.465 324 HD1 TRP 43 HD1 TRP 43 10.145 -7.649 16.914 325 HE1 TRP 43 HE1 TRP 43 11.920 -8.301 15.168 326 HE3 TRP 43 HE3 TRP 43 9.104 -4.135 13.350 327 HZ2 TRP 43 HZ2 TRP 43 12.767 -7.438 12.617 328 HZ3 TRP 43 HZ3 TRP 43 10.444 -4.116 11.286 329 HH2 TRP 43 HH2 TRP 43 12.238 -5.734 10.929 330 H THR 44 H THR 44 8.662 -1.452 16.377 331 HA THR 44 HA THR 44 5.748 -1.455 17.027 332 HB THR 44 HB THR 44 6.374 1.154 17.142 333 HG1 THR 44 HG1 THR 44 8.753 -0.062 18.097 334 HG21 THR 44 HG21 THR 44 7.287 -0.025 19.601 335 HG22 THR 44 HG22 THR 44 5.901 -0.920 18.975 336 HG23 THR 44 HG23 THR 44 5.775 0.816 19.261 337 H TYR 45 H TYR 45 4.610 -1.643 15.192 338 HA TYR 45 HA TYR 45 5.367 0.197 12.956 339 HB2 TYR 45 HB2 TYR 45 5.054 -1.471 11.473 340 HB3 TYR 45 HB3 TYR 45 5.168 -2.550 12.859 341 HD1 TYR 45 HD2 TYR 45 3.155 -3.546 13.830 342 HD2 TYR 45 HD1 TYR 45 2.932 -1.034 10.403 343 HE1 TYR 45 HE2 TYR 45 0.875 -4.356 13.391 344 HE2 TYR 45 HE1 TYR 45 0.651 -1.836 9.956 345 HH TYR 45 HH TYR 45 -0.715 -4.523 11.639 346 H ASP 46 H ASP 46 3.798 1.417 11.965 347 HA ASP 46 HA ASP 46 1.205 1.508 13.448 348 HB2 ASP 46 HB2 ASP 46 2.579 3.559 13.581 349 HB3 ASP 46 HB3 ASP 46 2.568 3.678 11.824 350 H ASP 47 H ASP 47 -0.647 1.100 12.429 351 HA ASP 47 HA ASP 47 -0.508 0.283 9.617 352 HB2 ASP 47 HB2 ASP 47 -1.836 -0.990 11.270 353 HB3 ASP 47 HB3 ASP 47 -2.872 0.413 11.515 354 H ALA 48 H ALA 48 -0.682 3.217 11.046 355 HA ALA 48 HA ALA 48 -2.709 4.312 9.167 356 HB1 ALA 48 HB1 ALA 48 -3.186 5.465 11.027 357 HB2 ALA 48 HB2 ALA 48 -1.625 5.111 11.768 358 HB3 ALA 48 HB3 ALA 48 -1.774 6.441 10.619 359 H THR 49 H THR 49 0.566 5.247 10.323 360 HA THR 49 HA THR 49 1.025 6.548 7.695 361 HB THR 49 HB THR 49 3.224 6.677 9.622 362 HG1 THR 49 HG1 THR 49 1.813 8.253 10.898 363 HG21 THR 49 HG21 THR 49 1.504 8.787 8.311 364 HG22 THR 49 HG22 THR 49 3.010 8.135 7.664 365 HG23 THR 49 HG23 THR 49 3.024 9.072 9.158 366 H LYS 50 H LYS 50 0.944 3.629 7.946 367 HA LYS 50 HA LYS 50 2.422 1.774 7.770 368 HB2 LYS 50 HB2 LYS 50 3.436 1.976 5.393 369 HB3 LYS 50 HB3 LYS 50 1.687 2.024 5.569 370 HG2 LYS 50 HG2 LYS 50 2.938 4.655 5.702 371 HG3 LYS 50 HG3 LYS 50 3.202 3.818 4.170 372 HD2 LYS 50 HD2 LYS 50 1.102 4.197 3.531 373 HD3 LYS 50 HD3 LYS 50 0.468 3.525 5.035 374 HE2 LYS 50 HE2 LYS 50 -0.239 5.610 5.446 375 HE3 LYS 50 HE3 LYS 50 1.443 5.942 5.854 376 HZ1 LYS 50 HZ1 LYS 50 0.237 6.322 3.167 377 HZ2 LYS 50 HZ2 LYS 50 1.823 6.704 3.612 378 HZ3 LYS 50 HZ3 LYS 50 0.528 7.559 4.285 379 H THR 51 H THR 51 3.775 2.850 9.623 380 HA THR 51 HA THR 51 6.552 3.119 8.544 381 HB THR 51 HB THR 51 5.300 4.650 10.838 382 HG1 THR 51 HG1 THR 51 6.629 5.580 8.496 383 HG21 THR 51 HG21 THR 51 7.466 4.053 11.603 384 HG22 THR 51 HG22 THR 51 7.598 5.703 10.994 385 HG23 THR 51 HG23 THR 51 8.184 4.354 10.021 386 H PHE 52 H PHE 52 8.174 2.063 9.620 387 HA PHE 52 HA PHE 52 7.293 0.392 11.940 388 HB2 PHE 52 HB2 PHE 52 8.927 -0.358 9.518 389 HB3 PHE 52 HB3 PHE 52 9.062 -1.262 11.022 390 HD1 PHE 52 HD1 PHE 52 6.320 0.108 8.886 391 HD2 PHE 52 HD2 PHE 52 7.834 -3.187 11.115 392 HE1 PHE 52 HE1 PHE 52 4.346 -1.220 8.258 393 HE2 PHE 52 HE2 PHE 52 5.863 -4.520 10.489 394 HZ PHE 52 HZ PHE 52 4.117 -3.537 9.058 395 H THR 53 H THR 53 8.351 0.843 13.736 396 HA THR 53 HA THR 53 11.129 1.926 13.463 397 HB THR 53 HB THR 53 9.449 2.416 15.904 398 HG1 THR 53 HG1 THR 53 9.366 3.943 13.495 399 HG21 THR 53 HG21 THR 53 11.172 3.711 16.469 400 HG22 THR 53 HG22 THR 53 11.041 4.611 14.958 401 HG23 THR 53 HG23 THR 53 12.020 3.146 15.030 402 H VAL 54 H VAL 54 12.717 0.753 14.295 403 HA VAL 54 HA VAL 54 12.004 -1.209 16.438 404 HB VAL 54 HB VAL 54 12.343 -2.546 14.510 405 HG11 VAL 54 HG11 VAL 54 14.315 -2.349 13.055 406 HG12 VAL 54 HG12 VAL 54 13.339 -0.879 13.052 407 HG13 VAL 54 HG13 VAL 54 14.841 -0.941 13.976 408 HG21 VAL 54 HG21 VAL 54 13.895 -3.990 15.326 409 HG22 VAL 54 HG22 VAL 54 15.111 -2.733 15.551 410 HG23 VAL 54 HG23 VAL 54 13.798 -2.909 16.715 411 H THR 55 H THR 55 13.051 -0.852 18.262 412 HA THR 55 HA THR 55 15.643 0.629 18.099 413 HB THR 55 HB THR 55 13.678 0.420 20.400 414 HG1 THR 55 HG1 THR 55 12.895 2.219 19.614 415 HG21 THR 55 HG21 THR 55 15.959 0.546 21.234 416 HG22 THR 55 HG22 THR 55 15.132 2.081 21.502 417 HG23 THR 55 HG23 THR 55 16.289 1.921 20.181 418 H GLU 56 H GLU 56 17.388 -0.580 18.353 419 HA GLU 56 HA GLU 56 17.189 -3.220 19.591 420 HB2 GLU 56 HB2 GLU 56 18.726 -2.329 17.619 421 HB3 GLU 56 HB3 GLU 56 19.815 -1.939 18.942 422 HG2 GLU 56 HG2 GLU 56 19.450 -4.378 19.676 423 HG3 GLU 56 HG3 GLU 56 18.832 -4.615 18.043 Start of MODEL 58 1 H1 MET 1 H MET 1 0.165 0.601 1.106 2 HA MET 1 HA MET 1 0.887 -1.445 -0.832 3 HB2 MET 1 HB2 MET 1 -0.429 0.946 -1.069 4 HB3 MET 1 HB3 MET 1 1.186 1.368 -1.621 5 HG2 MET 1 HG2 MET 1 0.008 -1.108 -2.718 6 HG3 MET 1 HG3 MET 1 -0.708 0.417 -3.234 7 HE1 MET 1 HE1 MET 1 1.036 1.269 -6.079 8 HE2 MET 1 HE2 MET 1 0.648 -0.450 -6.142 9 HE3 MET 1 HE3 MET 1 -0.424 0.666 -5.295 10 H GLN 2 H GLN 2 2.366 0.907 1.255 11 HA GLN 2 HA GLN 2 5.006 -0.135 0.527 12 HB2 GLN 2 HB2 GLN 2 4.140 2.109 -0.841 13 HB3 GLN 2 HB3 GLN 2 5.065 2.796 0.488 14 HG2 GLN 2 HG2 GLN 2 7.018 1.583 -0.149 15 HG3 GLN 2 HG3 GLN 2 6.114 0.661 -1.350 16 HE21 GLN 2 HE21 GLN 2 7.872 1.465 -2.739 17 HE22 GLN 2 HE22 GLN 2 7.680 3.009 -3.488 18 H TYR 3 H TYR 3 6.157 -0.361 2.316 19 HA TYR 3 HA TYR 3 5.523 1.473 4.594 20 HB2 TYR 3 HB2 TYR 3 6.365 -1.423 4.870 21 HB3 TYR 3 HB3 TYR 3 5.779 -0.347 6.134 22 HD1 TYR 3 HD1 TYR 3 4.795 -2.298 3.162 23 HD2 TYR 3 HD2 TYR 3 3.440 -0.014 6.486 24 HE1 TYR 3 HE1 TYR 3 2.503 -3.099 2.770 25 HE2 TYR 3 HE2 TYR 3 1.145 -0.809 6.104 26 HH TYR 3 HH TYR 3 0.290 -2.663 3.268 27 H LYS 4 H LYS 4 7.216 2.113 5.929 28 HA LYS 4 HA LYS 4 9.909 1.671 4.711 29 HB2 LYS 4 HB2 LYS 4 9.573 3.961 4.623 30 HB3 LYS 4 HB3 LYS 4 8.625 3.993 6.104 31 HG2 LYS 4 HG2 LYS 4 10.451 4.162 7.438 32 HG3 LYS 4 HG3 LYS 4 11.477 3.235 6.341 33 HD2 LYS 4 HD2 LYS 4 12.287 5.454 6.268 34 HD3 LYS 4 HD3 LYS 4 11.370 5.226 4.777 35 HE2 LYS 4 HE2 LYS 4 9.491 6.411 5.683 36 HE3 LYS 4 HE3 LYS 4 10.248 6.489 7.274 37 HZ1 LYS 4 HZ1 LYS 4 12.095 7.642 5.680 38 HZ2 LYS 4 HZ2 LYS 4 10.951 8.482 6.600 39 HZ3 LYS 4 HZ3 LYS 4 10.651 8.162 4.966 40 H LEU 5 H LEU 5 11.555 0.856 5.881 41 HA LEU 5 HA LEU 5 10.900 0.125 8.704 42 HB2 LEU 5 HB2 LEU 5 11.257 -1.777 7.233 43 HB3 LEU 5 HB3 LEU 5 12.820 -1.133 6.737 44 HG LEU 5 HG LEU 5 13.562 -1.395 9.132 45 HD11 LEU 5 HD11 LEU 5 11.530 -1.513 10.320 46 HD12 LEU 5 HD12 LEU 5 12.228 -3.130 10.404 47 HD13 LEU 5 HD13 LEU 5 10.908 -2.798 9.283 48 HD21 LEU 5 HD21 LEU 5 13.278 -4.095 8.758 49 HD22 LEU 5 HD22 LEU 5 14.542 -3.088 8.051 50 HD23 LEU 5 HD23 LEU 5 13.087 -3.459 7.124 51 H VAL 6 H VAL 6 11.737 1.570 10.061 52 HA VAL 6 HA VAL 6 14.436 2.672 9.441 53 HB VAL 6 HB VAL 6 12.384 3.593 11.471 54 HG11 VAL 6 HG11 VAL 6 14.331 5.567 10.830 55 HG12 VAL 6 HG12 VAL 6 13.989 4.819 12.391 56 HG13 VAL 6 HG13 VAL 6 15.167 4.088 11.300 57 HG21 VAL 6 HG21 VAL 6 12.456 5.623 9.823 58 HG22 VAL 6 HG22 VAL 6 13.012 4.410 8.670 59 HG23 VAL 6 HG23 VAL 6 11.448 4.221 9.463 60 H ILE 7 H ILE 7 16.166 1.967 10.481 61 HA ILE 7 HA ILE 7 15.720 0.342 12.944 62 HB ILE 7 HB ILE 7 18.150 0.462 11.139 63 HG12 ILE 7 HG12 ILE 7 16.151 -1.782 11.440 64 HG13 ILE 7 HG13 ILE 7 16.052 -0.571 10.166 65 HG21 ILE 7 HG21 ILE 7 18.789 -1.607 12.409 66 HG22 ILE 7 HG22 ILE 7 18.846 -0.110 13.338 67 HG23 ILE 7 HG23 ILE 7 17.494 -1.224 13.544 68 HD11 ILE 7 HD11 ILE 7 17.098 -2.667 9.428 69 HD12 ILE 7 HD12 ILE 7 18.176 -1.279 9.278 70 HD13 ILE 7 HD13 ILE 7 18.385 -2.418 10.608 71 H ASN 8 H ASN 8 16.716 0.790 14.853 72 HA ASN 8 HA ASN 8 18.350 3.297 14.900 73 HB2 ASN 8 HB2 ASN 8 16.011 2.450 16.530 74 HB3 ASN 8 HB3 ASN 8 17.326 3.233 17.401 75 HD21 ASN 8 HD21 ASN 8 18.214 5.183 15.981 76 HD22 ASN 8 HD22 ASN 8 16.982 6.295 15.500 77 H GLY 9 H GLY 9 19.994 1.450 14.523 78 HA2 GLY 9 HA2 GLY 9 20.625 -0.036 16.988 79 HA3 GLY 9 HA3 GLY 9 21.459 -0.154 15.445 80 H LYS 10 H LYS 10 22.816 -0.067 17.876 81 HA LYS 10 HA LYS 10 23.672 2.652 18.430 82 HB2 LYS 10 HB2 LYS 10 24.735 -0.068 19.218 83 HB3 LYS 10 HB3 LYS 10 25.504 1.432 19.721 84 HG2 LYS 10 HG2 LYS 10 22.894 1.859 20.417 85 HG3 LYS 10 HG3 LYS 10 23.094 0.131 20.720 86 HD2 LYS 10 HD2 LYS 10 23.889 0.835 22.710 87 HD3 LYS 10 HD3 LYS 10 25.380 1.089 21.800 88 HE2 LYS 10 HE2 LYS 10 23.995 3.412 21.343 89 HE3 LYS 10 HE3 LYS 10 23.556 3.028 23.007 90 HZ1 LYS 10 HZ1 LYS 10 25.479 4.284 23.208 91 HZ2 LYS 10 HZ2 LYS 10 26.234 3.552 21.883 92 HZ3 LYS 10 HZ3 LYS 10 26.056 2.698 23.332 93 H THR 11 H THR 11 24.625 0.118 16.231 94 HA THR 11 HA THR 11 26.891 1.859 15.341 95 HB THR 11 HB THR 11 28.140 -0.109 14.685 96 HG1 THR 11 HG1 THR 11 26.028 -1.674 15.787 97 HG21 THR 11 HG21 THR 11 28.296 0.689 17.044 98 HG22 THR 11 HG22 THR 11 28.679 -1.021 16.845 99 HG23 THR 11 HG23 THR 11 27.110 -0.538 17.489 100 H LEU 12 H LEU 12 24.648 -0.751 14.321 101 HA LEU 12 HA LEU 12 24.950 0.061 11.513 102 HB2 LEU 12 HB2 LEU 12 24.740 -2.300 12.120 103 HB3 LEU 12 HB3 LEU 12 23.154 -1.989 12.824 104 HG LEU 12 HG LEU 12 22.201 -1.576 10.674 105 HD11 LEU 12 HD11 LEU 12 25.039 -1.384 9.834 106 HD12 LEU 12 HD12 LEU 12 23.644 -0.418 9.353 107 HD13 LEU 12 HD13 LEU 12 23.877 -2.028 8.673 108 HD21 LEU 12 HD21 LEU 12 22.350 -3.717 9.707 109 HD22 LEU 12 HD22 LEU 12 22.655 -3.956 11.427 110 HD23 LEU 12 HD23 LEU 12 23.999 -3.953 10.285 111 H LYS 13 H LYS 13 23.711 1.444 10.443 112 HA LYS 13 HA LYS 13 20.946 1.925 11.393 113 HB2 LYS 13 HB2 LYS 13 22.724 4.286 10.808 114 HB3 LYS 13 HB3 LYS 13 21.175 4.252 11.638 115 HG2 LYS 13 HG2 LYS 13 22.411 2.860 13.420 116 HG3 LYS 13 HG3 LYS 13 23.878 3.484 12.661 117 HD2 LYS 13 HD2 LYS 13 23.029 5.783 13.001 118 HD3 LYS 13 HD3 LYS 13 21.629 5.115 13.842 119 HE2 LYS 13 HE2 LYS 13 22.822 5.236 15.717 120 HE3 LYS 13 HE3 LYS 13 23.818 3.930 15.078 121 HZ1 LYS 13 HZ1 LYS 13 24.330 6.818 14.618 122 HZ2 LYS 13 HZ2 LYS 13 25.318 5.532 14.138 123 HZ3 LYS 13 HZ3 LYS 13 25.117 5.876 15.782 124 H GLY 14 H GLY 14 19.543 2.773 9.823 125 HA2 GLY 14 HA2 GLY 14 20.192 3.815 7.334 126 HA3 GLY 14 HA3 GLY 14 20.310 2.075 7.115 127 H GLU 15 H GLU 15 18.570 2.901 5.495 128 HA GLU 15 HA GLU 15 15.939 2.581 6.885 129 HB2 GLU 15 HB2 GLU 15 16.829 4.539 4.827 130 HB3 GLU 15 HB3 GLU 15 15.216 3.868 4.631 131 HG2 GLU 15 HG2 GLU 15 14.405 4.896 6.488 132 HG3 GLU 15 HG3 GLU 15 15.964 4.887 7.311 133 H THR 16 H THR 16 14.472 1.188 6.014 134 HA THR 16 HA THR 16 15.318 -0.218 3.514 135 HB THR 16 HB THR 16 13.889 -2.089 5.050 136 HG1 THR 16 HG1 THR 16 15.863 -0.727 6.590 137 HG21 THR 16 HG21 THR 16 16.501 -2.850 5.302 138 HG22 THR 16 HG22 THR 16 16.577 -1.742 3.932 139 HG23 THR 16 HG23 THR 16 15.499 -3.137 3.880 140 H THR 17 H THR 17 13.864 0.680 2.138 141 HA THR 17 HA THR 17 10.999 0.633 2.953 142 HB THR 17 HB THR 17 10.565 2.207 1.253 143 HG1 THR 17 HG1 THR 17 11.601 1.478 -0.530 144 HG21 THR 17 HG21 THR 17 11.860 4.032 1.873 145 HG22 THR 17 HG22 THR 17 13.337 3.075 1.983 146 HG23 THR 17 HG23 THR 17 12.096 2.928 3.228 147 H THR 18 H THR 18 9.444 -0.489 1.859 148 HA THR 18 HA THR 18 10.125 -1.907 -0.616 149 HB THR 18 HB THR 18 11.010 -3.381 1.242 150 HG1 THR 18 HG1 THR 18 10.486 -5.059 0.019 151 HG21 THR 18 HG21 THR 18 9.629 -4.387 2.793 152 HG22 THR 18 HG22 THR 18 8.179 -4.140 1.820 153 HG23 THR 18 HG23 THR 18 8.903 -2.784 2.683 154 H LYS 19 H LYS 19 8.178 -3.600 -1.007 155 HA LYS 19 HA LYS 19 5.681 -2.083 -0.357 156 HB2 LYS 19 HB2 LYS 19 4.828 -2.662 -2.558 157 HB3 LYS 19 HB3 LYS 19 6.366 -1.827 -2.723 158 HG2 LYS 19 HG2 LYS 19 6.458 -4.780 -2.628 159 HG3 LYS 19 HG3 LYS 19 5.762 -4.042 -4.073 160 HD2 LYS 19 HD2 LYS 19 7.784 -3.508 -4.831 161 HD3 LYS 19 HD3 LYS 19 8.167 -2.661 -3.330 162 HE2 LYS 19 HE2 LYS 19 9.302 -4.423 -2.470 163 HE3 LYS 19 HE3 LYS 19 8.244 -5.613 -3.229 164 HZ1 LYS 19 HZ1 LYS 19 9.358 -4.918 -5.384 165 HZ2 LYS 19 HZ2 LYS 19 10.283 -5.839 -4.309 166 HZ3 LYS 19 HZ3 LYS 19 10.532 -4.169 -4.422 167 H ALA 20 H ALA 20 3.785 -3.258 -0.006 168 HA ALA 20 HA ALA 20 3.781 -6.159 -0.184 169 HB1 ALA 20 HB1 ALA 20 4.511 -4.856 2.356 170 HB2 ALA 20 HB2 ALA 20 3.248 -6.082 2.476 171 HB3 ALA 20 HB3 ALA 20 4.817 -6.497 1.785 172 H VAL 21 H VAL 21 1.740 -7.011 -0.082 173 HA VAL 21 HA VAL 21 -0.442 -5.282 -0.559 174 HB VAL 21 HB VAL 21 -1.859 -7.326 -0.012 175 HG11 VAL 21 HG11 VAL 21 0.319 -8.046 -1.931 176 HG12 VAL 21 HG12 VAL 21 -1.425 -8.271 -2.079 177 HG13 VAL 21 HG13 VAL 21 -0.725 -6.662 -2.253 178 HG21 VAL 21 HG21 VAL 21 0.829 -8.667 0.250 179 HG22 VAL 21 HG22 VAL 21 -0.233 -8.294 1.608 180 HG23 VAL 21 HG23 VAL 21 -0.759 -9.428 0.363 181 H ASP 22 H ASP 22 0.811 -6.657 2.442 182 HA ASP 22 HA ASP 22 -0.856 -4.757 3.949 183 HB2 ASP 22 HB2 ASP 22 -1.606 -6.623 5.512 184 HB3 ASP 22 HB3 ASP 22 -2.400 -6.566 3.941 185 H ALA 23 H ALA 23 -0.192 -4.502 6.160 186 HA ALA 23 HA ALA 23 2.584 -4.410 6.511 187 HB1 ALA 23 HB1 ALA 23 1.407 -4.738 9.076 188 HB2 ALA 23 HB2 ALA 23 1.908 -3.247 8.277 189 HB3 ALA 23 HB3 ALA 23 0.264 -3.850 8.067 190 H GLU 24 H GLU 24 0.280 -6.923 7.589 191 HA GLU 24 HA GLU 24 2.019 -8.518 9.081 192 HB2 GLU 24 HB2 GLU 24 -0.281 -9.094 9.024 193 HB3 GLU 24 HB3 GLU 24 -0.289 -9.235 7.272 194 HG2 GLU 24 HG2 GLU 24 0.465 -11.347 7.304 195 HG3 GLU 24 HG3 GLU 24 1.556 -11.050 8.655 196 H THR 25 H THR 25 1.800 -8.128 5.596 197 HA THR 25 HA THR 25 3.513 -10.433 5.044 198 HB THR 25 HB THR 25 2.553 -8.165 3.276 199 HG1 THR 25 HG1 THR 25 1.259 -9.920 2.417 200 HG21 THR 25 HG21 THR 25 4.436 -10.408 2.779 201 HG22 THR 25 HG22 THR 25 4.385 -8.795 2.068 202 HG23 THR 25 HG23 THR 25 3.260 -10.037 1.519 203 H ALA 26 H ALA 26 3.873 -6.948 5.463 204 HA ALA 26 HA ALA 26 6.617 -6.916 4.473 205 HB1 ALA 26 HB1 ALA 26 5.745 -4.727 6.239 206 HB2 ALA 26 HB2 ALA 26 6.441 -4.677 4.619 207 HB3 ALA 26 HB3 ALA 26 4.721 -5.002 4.830 208 H GLU 27 H GLU 27 5.002 -7.397 7.549 209 HA GLU 27 HA GLU 27 7.045 -6.768 9.354 210 HB2 GLU 27 HB2 GLU 27 4.878 -7.422 10.149 211 HB3 GLU 27 HB3 GLU 27 5.010 -9.008 9.401 212 HG2 GLU 27 HG2 GLU 27 5.959 -9.847 11.211 213 HG3 GLU 27 HG3 GLU 27 7.201 -8.596 11.199 214 H LYS 28 H LYS 28 6.369 -10.101 8.198 215 HA LYS 28 HA LYS 28 8.735 -11.264 9.129 216 HB2 LYS 28 HB2 LYS 28 6.711 -11.898 7.089 217 HB3 LYS 28 HB3 LYS 28 8.282 -12.626 6.780 218 HG2 LYS 28 HG2 LYS 28 8.153 -14.006 8.573 219 HG3 LYS 28 HG3 LYS 28 7.210 -12.859 9.528 220 HD2 LYS 28 HD2 LYS 28 5.206 -13.464 8.492 221 HD3 LYS 28 HD3 LYS 28 6.032 -14.207 7.121 222 HE2 LYS 28 HE2 LYS 28 6.118 -16.182 8.147 223 HE3 LYS 28 HE3 LYS 28 6.788 -15.463 9.611 224 HZ1 LYS 28 HZ1 LYS 28 4.052 -14.807 9.385 225 HZ2 LYS 28 HZ2 LYS 28 4.838 -15.673 10.607 226 HZ3 LYS 28 HZ3 LYS 28 4.238 -16.483 9.249 227 H ALA 29 H ALA 29 8.148 -9.500 6.101 228 HA ALA 29 HA ALA 29 10.635 -10.091 4.852 229 HB1 ALA 29 HB1 ALA 29 9.742 -7.413 4.252 230 HB2 ALA 29 HB2 ALA 29 9.752 -8.851 3.230 231 HB3 ALA 29 HB3 ALA 29 8.378 -8.530 4.288 232 H PHE 30 H PHE 30 9.657 -7.290 6.870 233 HA PHE 30 HA PHE 30 12.252 -6.069 6.821 234 HB2 PHE 30 HB2 PHE 30 9.983 -5.809 8.818 235 HB3 PHE 30 HB3 PHE 30 11.392 -4.755 8.758 236 HD1 PHE 30 HD1 PHE 30 11.738 -4.289 5.910 237 HD2 PHE 30 HD2 PHE 30 8.170 -4.515 8.220 238 HE1 PHE 30 HE1 PHE 30 10.593 -2.849 4.276 239 HE2 PHE 30 HE2 PHE 30 7.019 -3.077 6.589 240 HZ PHE 30 HZ PHE 30 8.230 -2.242 4.614 241 H LYS 31 H LYS 31 10.672 -8.357 9.033 242 HA LYS 31 HA LYS 31 12.716 -8.302 11.038 243 HB2 LYS 31 HB2 LYS 31 10.739 -10.471 10.278 244 HB3 LYS 31 HB3 LYS 31 11.736 -10.498 11.727 245 HG2 LYS 31 HG2 LYS 31 10.339 -8.006 11.573 246 HG3 LYS 31 HG3 LYS 31 9.201 -9.343 11.393 247 HD2 LYS 31 HD2 LYS 31 11.116 -9.896 13.478 248 HD3 LYS 31 HD3 LYS 31 10.300 -8.358 13.768 249 HE2 LYS 31 HE2 LYS 31 8.736 -9.677 14.719 250 HE3 LYS 31 HE3 LYS 31 8.198 -9.883 13.053 251 HZ1 LYS 31 HZ1 LYS 31 8.979 -11.865 14.790 252 HZ2 LYS 31 HZ2 LYS 31 10.263 -11.726 13.698 253 HZ3 LYS 31 HZ3 LYS 31 8.699 -12.028 13.129 254 H GLN 32 H GLN 32 12.175 -10.404 8.200 255 HA GLN 32 HA GLN 32 14.276 -12.220 8.643 256 HB2 GLN 32 HB2 GLN 32 12.701 -12.632 6.894 257 HB3 GLN 32 HB3 GLN 32 13.097 -11.123 6.083 258 HG2 GLN 32 HG2 GLN 32 15.114 -11.938 5.275 259 HG3 GLN 32 HG3 GLN 32 15.169 -13.245 6.455 260 HE21 GLN 32 HE21 GLN 32 14.654 -12.548 3.299 261 HE22 GLN 32 HE22 GLN 32 13.704 -13.918 2.845 262 H TYR 33 H TYR 33 14.320 -8.996 7.139 263 HA TYR 33 HA TYR 33 17.120 -9.187 6.394 264 HB2 TYR 33 HB2 TYR 33 15.549 -7.715 5.203 265 HB3 TYR 33 HB3 TYR 33 15.310 -6.766 6.666 266 HD1 TYR 33 HD2 TYR 33 17.752 -7.668 4.048 267 HD2 TYR 33 HD1 TYR 33 16.872 -5.090 7.316 268 HE1 TYR 33 HE2 TYR 33 19.646 -6.232 3.418 269 HE2 TYR 33 HE1 TYR 33 18.763 -3.646 6.694 270 HH TYR 33 HH TYR 33 20.056 -3.161 4.477 271 H ALA 34 H ALA 34 15.502 -8.730 9.328 272 HA ALA 34 HA ALA 34 17.361 -6.881 10.562 273 HB1 ALA 34 HB1 ALA 34 14.896 -7.876 11.217 274 HB2 ALA 34 HB2 ALA 34 15.947 -8.724 12.351 275 HB3 ALA 34 HB3 ALA 34 15.946 -6.961 12.299 276 H ASN 35 H ASN 35 16.883 -10.432 10.791 277 HA ASN 35 HA ASN 35 19.075 -10.919 12.522 278 HB2 ASN 35 HB2 ASN 35 17.394 -12.522 10.675 279 HB3 ASN 35 HB3 ASN 35 18.963 -13.215 11.074 280 HD21 ASN 35 HD21 ASN 35 17.605 -14.879 12.058 281 HD22 ASN 35 HD22 ASN 35 17.054 -14.646 13.679 282 H ASP 36 H ASP 36 18.880 -10.906 8.953 283 HA ASP 36 HA ASP 36 21.517 -11.749 8.423 284 HB2 ASP 36 HB2 ASP 36 20.030 -9.655 6.820 285 HB3 ASP 36 HB3 ASP 36 21.227 -10.810 6.240 286 H ASN 37 H ASN 37 20.300 -8.685 9.582 287 HA ASN 37 HA ASN 37 23.032 -7.517 9.267 288 HB2 ASN 37 HB2 ASN 37 20.315 -6.423 9.079 289 HB3 ASN 37 HB3 ASN 37 21.377 -5.464 10.105 290 HD21 ASN 37 HD21 ASN 37 23.771 -5.638 8.933 291 HD22 ASN 37 HD22 ASN 37 23.728 -4.983 7.335 292 H GLY 38 H GLY 38 21.667 -9.374 11.399 293 HA2 GLY 38 HA2 GLY 38 21.767 -9.588 13.702 294 HA3 GLY 38 HA3 GLY 38 23.219 -8.604 13.590 295 H VAL 39 H VAL 39 19.754 -7.894 13.050 296 HA VAL 39 HA VAL 39 19.996 -5.828 15.202 297 HB VAL 39 HB VAL 39 18.513 -5.551 12.574 298 HG11 VAL 39 HG11 VAL 39 18.083 -4.302 15.103 299 HG12 VAL 39 HG12 VAL 39 18.688 -3.099 13.963 300 HG13 VAL 39 HG13 VAL 39 17.243 -4.033 13.577 301 HG21 VAL 39 HG21 VAL 39 21.184 -5.165 13.058 302 HG22 VAL 39 HG22 VAL 39 20.257 -4.401 11.767 303 HG23 VAL 39 HG23 VAL 39 20.515 -3.550 13.289 304 H ASP 40 H ASP 40 18.705 -6.291 16.837 305 HA ASP 40 HA ASP 40 15.939 -7.170 16.244 306 HB2 ASP 40 HB2 ASP 40 17.254 -9.253 16.562 307 HB3 ASP 40 HB3 ASP 40 17.750 -8.683 18.154 308 H GLY 41 H GLY 41 14.512 -7.048 18.144 309 HA2 GLY 41 HA2 GLY 41 14.967 -6.151 20.647 310 HA3 GLY 41 HA3 GLY 41 15.261 -4.680 19.731 311 H VAL 42 H VAL 42 13.605 -3.354 19.477 312 HA VAL 42 HA VAL 42 10.895 -4.436 20.023 313 HB VAL 42 HB VAL 42 11.499 -1.527 19.569 314 HG11 VAL 42 HG11 VAL 42 9.207 -1.920 19.792 315 HG12 VAL 42 HG12 VAL 42 9.442 -3.118 21.066 316 HG13 VAL 42 HG13 VAL 42 9.710 -1.407 21.402 317 HG21 VAL 42 HG21 VAL 42 11.797 -1.462 22.126 318 HG22 VAL 42 HG22 VAL 42 12.195 -3.174 21.976 319 HG23 VAL 42 HG23 VAL 42 13.167 -1.966 21.137 320 H TRP 43 H TRP 43 9.065 -3.577 18.726 321 HA TRP 43 HA TRP 43 9.782 -2.855 15.949 322 HB2 TRP 43 HB2 TRP 43 8.391 -5.411 16.749 323 HB3 TRP 43 HB3 TRP 43 8.124 -4.680 15.168 324 HD1 TRP 43 HD1 TRP 43 10.942 -6.252 17.276 325 HE1 TRP 43 HE1 TRP 43 12.770 -7.098 15.673 326 HE3 TRP 43 HE3 TRP 43 9.071 -4.434 12.879 327 HZ2 TRP 43 HZ2 TRP 43 13.344 -7.006 12.911 328 HZ3 TRP 43 HZ3 TRP 43 10.321 -4.856 10.802 329 HH2 TRP 43 HH2 TRP 43 12.413 -6.115 10.820 330 H THR 44 H THR 44 8.778 -0.894 16.177 331 HA THR 44 HA THR 44 5.958 -0.877 17.089 332 HB THR 44 HB THR 44 6.401 1.696 16.478 333 HG1 THR 44 HG1 THR 44 8.574 2.212 16.846 334 HG21 THR 44 HG21 THR 44 6.614 2.067 18.744 335 HG22 THR 44 HG22 THR 44 7.713 0.707 18.972 336 HG23 THR 44 HG23 THR 44 5.990 0.418 18.733 337 H TYR 45 H TYR 45 4.515 -1.453 15.598 338 HA TYR 45 HA TYR 45 4.894 -0.359 12.839 339 HB2 TYR 45 HB2 TYR 45 4.765 -2.593 12.399 340 HB3 TYR 45 HB3 TYR 45 3.890 -2.952 13.884 341 HD1 TYR 45 HD1 TYR 45 3.287 -1.050 10.716 342 HD2 TYR 45 HD2 TYR 45 1.756 -3.763 13.614 343 HE1 TYR 45 HE1 TYR 45 1.196 -1.232 9.432 344 HE2 TYR 45 HE2 TYR 45 -0.338 -3.953 12.338 345 HH TYR 45 HH TYR 45 -0.927 -3.581 9.700 346 H ASP 46 H ASP 46 3.425 0.983 12.003 347 HA ASP 46 HA ASP 46 0.895 1.344 13.562 348 HB2 ASP 46 HB2 ASP 46 2.435 3.260 13.811 349 HB3 ASP 46 HB3 ASP 46 2.480 3.453 12.061 350 H ASP 47 H ASP 47 -0.931 1.004 12.500 351 HA ASP 47 HA ASP 47 -0.816 0.366 9.652 352 HB2 ASP 47 HB2 ASP 47 -3.134 -0.255 9.896 353 HB3 ASP 47 HB3 ASP 47 -2.257 -0.851 11.303 354 H ALA 48 H ALA 48 -0.815 3.231 11.229 355 HA ALA 48 HA ALA 48 -2.733 4.557 9.388 356 HB1 ALA 48 HB1 ALA 48 -1.150 6.021 11.461 357 HB2 ALA 48 HB2 ALA 48 -2.776 6.334 10.854 358 HB3 ALA 48 HB3 ALA 48 -2.491 4.988 11.958 359 H THR 49 H THR 49 0.542 5.339 10.641 360 HA THR 49 HA THR 49 1.138 6.564 7.997 361 HB THR 49 HB THR 49 2.900 7.755 9.050 362 HG1 THR 49 HG1 THR 49 3.666 7.236 11.105 363 HG21 THR 49 HG21 THR 49 0.393 8.218 9.738 364 HG22 THR 49 HG22 THR 49 1.721 9.107 10.483 365 HG23 THR 49 HG23 THR 49 0.983 7.749 11.331 366 H LYS 50 H LYS 50 1.032 3.694 8.249 367 HA LYS 50 HA LYS 50 2.524 1.823 8.282 368 HB2 LYS 50 HB2 LYS 50 3.705 1.972 5.963 369 HB3 LYS 50 HB3 LYS 50 1.947 1.963 6.034 370 HG2 LYS 50 HG2 LYS 50 3.046 4.647 6.165 371 HG3 LYS 50 HG3 LYS 50 3.521 3.786 4.699 372 HD2 LYS 50 HD2 LYS 50 1.459 3.907 3.842 373 HD3 LYS 50 HD3 LYS 50 0.711 3.414 5.362 374 HE2 LYS 50 HE2 LYS 50 1.105 5.758 6.188 375 HE3 LYS 50 HE3 LYS 50 1.574 6.181 4.542 376 HZ1 LYS 50 HZ1 LYS 50 -0.547 6.016 3.794 377 HZ2 LYS 50 HZ2 LYS 50 -0.889 6.445 5.394 378 HZ3 LYS 50 HZ3 LYS 50 -0.989 4.826 4.913 379 H THR 51 H THR 51 3.781 2.808 10.179 380 HA THR 51 HA THR 51 6.568 3.399 9.258 381 HB THR 51 HB THR 51 5.272 4.133 11.901 382 HG1 THR 51 HG1 THR 51 5.525 6.292 11.009 383 HG21 THR 51 HG21 THR 51 7.338 4.454 12.665 384 HG22 THR 51 HG22 THR 51 7.630 5.610 11.366 385 HG23 THR 51 HG23 THR 51 8.008 3.904 11.130 386 H PHE 52 H PHE 52 8.042 1.891 9.608 387 HA PHE 52 HA PHE 52 7.483 -0.098 11.773 388 HB2 PHE 52 HB2 PHE 52 8.335 -0.427 8.955 389 HB3 PHE 52 HB3 PHE 52 9.201 -1.417 10.126 390 HD1 PHE 52 HD2 PHE 52 5.922 -0.692 8.643 391 HD2 PHE 52 HD1 PHE 52 8.127 -3.224 11.259 392 HE1 PHE 52 HE2 PHE 52 4.056 -2.295 8.660 393 HE2 PHE 52 HE1 PHE 52 6.264 -4.831 11.279 394 HZ PHE 52 HZ PHE 52 4.225 -4.367 9.980 395 H THR 53 H THR 53 8.635 0.924 13.383 396 HA THR 53 HA THR 53 11.499 1.503 12.825 397 HB THR 53 HB THR 53 10.230 2.044 15.484 398 HG1 THR 53 HG1 THR 53 9.689 4.183 14.374 399 HG21 THR 53 HG21 THR 53 11.774 3.835 15.571 400 HG22 THR 53 HG22 THR 53 12.082 3.754 13.837 401 HG23 THR 53 HG23 THR 53 12.664 2.471 14.897 402 H VAL 54 H VAL 54 13.175 0.481 13.818 403 HA VAL 54 HA VAL 54 12.432 -1.766 15.651 404 HB VAL 54 HB VAL 54 14.521 -1.771 13.458 405 HG11 VAL 54 HG11 VAL 54 15.609 -3.015 15.037 406 HG12 VAL 54 HG12 VAL 54 14.115 -3.528 15.823 407 HG13 VAL 54 HG13 VAL 54 14.612 -4.269 14.301 408 HG21 VAL 54 HG21 VAL 54 12.364 -2.185 12.547 409 HG22 VAL 54 HG22 VAL 54 13.171 -3.747 12.682 410 HG23 VAL 54 HG23 VAL 54 11.947 -3.282 13.864 411 H THR 55 H THR 55 13.048 -1.060 17.601 412 HA THR 55 HA THR 55 15.613 0.404 17.847 413 HB THR 55 HB THR 55 14.009 -0.230 20.267 414 HG1 THR 55 HG1 THR 55 12.519 1.469 19.704 415 HG21 THR 55 HG21 THR 55 14.614 2.546 19.736 416 HG22 THR 55 HG22 THR 55 16.048 1.536 19.554 417 HG23 THR 55 HG23 THR 55 15.143 1.517 21.067 418 H GLU 56 H GLU 56 17.448 -0.527 18.444 419 HA GLU 56 HA GLU 56 17.374 -3.355 19.270 420 HB2 GLU 56 HB2 GLU 56 19.074 -1.949 17.674 421 HB3 GLU 56 HB3 GLU 56 19.961 -1.918 19.191 422 HG2 GLU 56 HG2 GLU 56 19.669 -4.418 19.279 423 HG3 GLU 56 HG3 GLU 56 19.074 -4.320 17.622 Start of MODEL 59 1 H1 MET 1 H MET 1 0.124 0.920 1.327 2 HA MET 1 HA MET 1 0.605 -1.109 -0.726 3 HB2 MET 1 HB2 MET 1 -0.623 1.269 -0.952 4 HB3 MET 1 HB3 MET 1 1.024 1.770 -1.311 5 HG2 MET 1 HG2 MET 1 -0.026 1.290 -3.373 6 HG3 MET 1 HG3 MET 1 1.102 -0.024 -3.047 7 HE1 MET 1 HE1 MET 1 -2.316 0.069 -4.826 8 HE2 MET 1 HE2 MET 1 -3.373 -0.032 -3.418 9 HE3 MET 1 HE3 MET 1 -2.210 1.288 -3.555 10 H GLN 2 H GLN 2 2.239 1.048 1.446 11 HA GLN 2 HA GLN 2 4.795 -0.159 0.746 12 HB2 GLN 2 HB2 GLN 2 4.065 2.215 -0.606 13 HB3 GLN 2 HB3 GLN 2 5.246 2.686 0.608 14 HG2 GLN 2 HG2 GLN 2 6.840 1.109 -0.256 15 HG3 GLN 2 HG3 GLN 2 5.650 0.477 -1.393 16 HE21 GLN 2 HE21 GLN 2 7.796 1.140 -2.609 17 HE22 GLN 2 HE22 GLN 2 7.709 2.681 -3.385 18 H TYR 3 H TYR 3 5.941 -0.376 2.544 19 HA TYR 3 HA TYR 3 5.306 1.496 4.791 20 HB2 TYR 3 HB2 TYR 3 6.418 -1.280 5.172 21 HB3 TYR 3 HB3 TYR 3 5.555 -0.268 6.325 22 HD1 TYR 3 HD1 TYR 3 5.180 -2.434 3.365 23 HD2 TYR 3 HD2 TYR 3 3.166 -0.265 6.422 24 HE1 TYR 3 HE1 TYR 3 3.080 -3.576 2.783 25 HE2 TYR 3 HE2 TYR 3 1.061 -1.402 5.850 26 HH TYR 3 HH TYR 3 0.404 -2.807 3.159 27 H LYS 4 H LYS 4 7.135 1.504 6.483 28 HA LYS 4 HA LYS 4 9.766 1.535 5.065 29 HB2 LYS 4 HB2 LYS 4 8.343 3.795 5.890 30 HB3 LYS 4 HB3 LYS 4 9.546 3.558 7.151 31 HG2 LYS 4 HG2 LYS 4 11.327 3.630 5.533 32 HG3 LYS 4 HG3 LYS 4 10.164 3.714 4.208 33 HD2 LYS 4 HD2 LYS 4 9.612 5.901 4.653 34 HD3 LYS 4 HD3 LYS 4 10.044 5.775 6.359 35 HE2 LYS 4 HE2 LYS 4 11.891 6.897 5.758 36 HE3 LYS 4 HE3 LYS 4 12.445 5.336 5.153 37 HZ1 LYS 4 HZ1 LYS 4 10.858 7.121 3.427 38 HZ2 LYS 4 HZ2 LYS 4 11.946 5.903 2.986 39 HZ3 LYS 4 HZ3 LYS 4 12.523 7.368 3.605 40 H LEU 5 H LEU 5 11.622 1.224 6.376 41 HA LEU 5 HA LEU 5 11.025 0.199 9.115 42 HB2 LEU 5 HB2 LEU 5 11.222 -1.768 7.824 43 HB3 LEU 5 HB3 LEU 5 12.593 -1.135 6.915 44 HG LEU 5 HG LEU 5 13.989 -1.315 8.935 45 HD11 LEU 5 HD11 LEU 5 12.813 -2.949 10.681 46 HD12 LEU 5 HD12 LEU 5 11.389 -2.065 10.131 47 HD13 LEU 5 HD13 LEU 5 12.753 -1.192 10.829 48 HD21 LEU 5 HD21 LEU 5 14.537 -3.351 8.240 49 HD22 LEU 5 HD22 LEU 5 13.053 -3.374 7.288 50 HD23 LEU 5 HD23 LEU 5 13.062 -4.037 8.923 51 H VAL 6 H VAL 6 11.920 1.806 10.284 52 HA VAL 6 HA VAL 6 14.559 2.869 9.503 53 HB VAL 6 HB VAL 6 12.766 3.547 11.850 54 HG11 VAL 6 HG11 VAL 6 14.892 4.163 12.561 55 HG12 VAL 6 HG12 VAL 6 15.408 4.627 10.938 56 HG13 VAL 6 HG13 VAL 6 14.271 5.641 11.828 57 HG21 VAL 6 HG21 VAL 6 13.162 4.784 9.140 58 HG22 VAL 6 HG22 VAL 6 11.660 4.252 9.897 59 HG23 VAL 6 HG23 VAL 6 12.488 5.689 10.496 60 H ILE 7 H ILE 7 16.433 2.138 10.231 61 HA ILE 7 HA ILE 7 16.389 0.163 12.441 62 HB ILE 7 HB ILE 7 18.648 0.980 10.594 63 HG12 ILE 7 HG12 ILE 7 16.867 -1.467 10.580 64 HG13 ILE 7 HG13 ILE 7 16.805 -0.146 9.419 65 HG21 ILE 7 HG21 ILE 7 20.015 -0.171 11.907 66 HG22 ILE 7 HG22 ILE 7 18.695 -0.402 13.053 67 HG23 ILE 7 HG23 ILE 7 18.978 -1.592 11.783 68 HD11 ILE 7 HD11 ILE 7 19.076 -0.698 8.691 69 HD12 ILE 7 HD12 ILE 7 19.102 -2.043 9.832 70 HD13 ILE 7 HD13 ILE 7 17.962 -2.050 8.487 71 H ASN 8 H ASN 8 16.251 1.262 14.339 72 HA ASN 8 HA ASN 8 18.297 3.386 14.801 73 HB2 ASN 8 HB2 ASN 8 15.579 2.833 15.950 74 HB3 ASN 8 HB3 ASN 8 16.758 3.712 16.919 75 HD21 ASN 8 HD21 ASN 8 17.979 5.392 15.391 76 HD22 ASN 8 HD22 ASN 8 16.902 6.448 14.548 77 H GLY 9 H GLY 9 19.415 0.952 14.790 78 HA2 GLY 9 HA2 GLY 9 19.331 -0.288 17.420 79 HA3 GLY 9 HA3 GLY 9 20.443 -0.667 16.114 80 H LYS 10 H LYS 10 22.061 -0.870 17.793 81 HA LYS 10 HA LYS 10 22.823 1.570 19.222 82 HB2 LYS 10 HB2 LYS 10 23.109 -1.020 19.836 83 HB3 LYS 10 HB3 LYS 10 24.657 -0.777 19.039 84 HG2 LYS 10 HG2 LYS 10 23.767 1.124 21.160 85 HG3 LYS 10 HG3 LYS 10 24.451 -0.442 21.603 86 HD2 LYS 10 HD2 LYS 10 26.527 0.070 20.729 87 HD3 LYS 10 HD3 LYS 10 25.878 1.287 19.627 88 HE2 LYS 10 HE2 LYS 10 25.295 2.100 22.285 89 HE3 LYS 10 HE3 LYS 10 26.996 1.644 22.217 90 HZ1 LYS 10 HZ1 LYS 10 27.064 3.090 20.137 91 HZ2 LYS 10 HZ2 LYS 10 26.972 3.878 21.630 92 HZ3 LYS 10 HZ3 LYS 10 25.589 3.728 20.668 93 H THR 11 H THR 11 24.611 -0.603 16.985 94 HA THR 11 HA THR 11 26.013 1.847 15.984 95 HB THR 11 HB THR 11 27.346 -0.754 15.554 96 HG1 THR 11 HG1 THR 11 26.919 0.315 18.154 97 HG21 THR 11 HG21 THR 11 28.853 0.833 15.043 98 HG22 THR 11 HG22 THR 11 29.101 0.953 16.785 99 HG23 THR 11 HG23 THR 11 28.004 2.068 15.971 100 H LEU 12 H LEU 12 23.526 0.897 14.951 101 HA LEU 12 HA LEU 12 24.401 0.431 12.170 102 HB2 LEU 12 HB2 LEU 12 24.005 -1.813 13.227 103 HB3 LEU 12 HB3 LEU 12 22.322 -1.342 13.458 104 HG LEU 12 HG LEU 12 21.954 -1.273 11.087 105 HD11 LEU 12 HD11 LEU 12 24.891 -1.266 11.001 106 HD12 LEU 12 HD12 LEU 12 23.718 -0.546 9.900 107 HD13 LEU 12 HD13 LEU 12 24.102 -2.263 9.779 108 HD21 LEU 12 HD21 LEU 12 23.140 -3.680 12.327 109 HD22 LEU 12 HD22 LEU 12 22.943 -3.708 10.574 110 HD23 LEU 12 HD23 LEU 12 21.545 -3.435 11.615 111 H LYS 13 H LYS 13 23.464 1.981 11.044 112 HA LYS 13 HA LYS 13 20.611 2.608 11.673 113 HB2 LYS 13 HB2 LYS 13 22.525 4.727 10.721 114 HB3 LYS 13 HB3 LYS 13 20.978 4.918 11.536 115 HG2 LYS 13 HG2 LYS 13 22.309 3.646 13.466 116 HG3 LYS 13 HG3 LYS 13 23.668 4.427 12.655 117 HD2 LYS 13 HD2 LYS 13 22.887 6.556 13.117 118 HD3 LYS 13 HD3 LYS 13 21.220 6.011 13.322 119 HE2 LYS 13 HE2 LYS 13 22.055 4.758 15.375 120 HE3 LYS 13 HE3 LYS 13 23.535 5.703 15.217 121 HZ1 LYS 13 HZ1 LYS 13 22.328 7.006 16.630 122 HZ2 LYS 13 HZ2 LYS 13 20.836 6.587 15.952 123 HZ3 LYS 13 HZ3 LYS 13 21.853 7.677 15.151 124 H GLY 14 H GLY 14 19.315 3.302 9.922 125 HA2 GLY 14 HA2 GLY 14 20.027 3.849 7.328 126 HA3 GLY 14 HA3 GLY 14 20.149 2.097 7.395 127 H GLU 15 H GLU 15 18.416 3.214 5.628 128 HA GLU 15 HA GLU 15 15.766 2.831 6.961 129 HB2 GLU 15 HB2 GLU 15 16.710 4.633 4.789 130 HB3 GLU 15 HB3 GLU 15 15.095 3.961 4.613 131 HG2 GLU 15 HG2 GLU 15 14.257 5.351 6.120 132 HG3 GLU 15 HG3 GLU 15 15.527 4.970 7.282 133 H THR 16 H THR 16 14.211 1.521 6.001 134 HA THR 16 HA THR 16 15.113 -0.076 3.654 135 HB THR 16 HB THR 16 13.717 -1.873 5.325 136 HG1 THR 16 HG1 THR 16 15.923 -0.799 6.749 137 HG21 THR 16 HG21 THR 16 16.357 -1.596 4.080 138 HG22 THR 16 HG22 THR 16 15.276 -2.988 4.146 139 HG23 THR 16 HG23 THR 16 16.337 -2.629 5.508 140 H THR 17 H THR 17 13.631 0.709 2.245 141 HA THR 17 HA THR 17 10.774 0.633 3.097 142 HB THR 17 HB THR 17 10.286 2.216 1.461 143 HG1 THR 17 HG1 THR 17 12.775 1.660 0.185 144 HG21 THR 17 HG21 THR 17 11.970 2.979 3.266 145 HG22 THR 17 HG22 THR 17 11.696 4.029 1.876 146 HG23 THR 17 HG23 THR 17 13.137 3.015 1.945 147 H THR 18 H THR 18 9.250 -0.568 2.052 148 HA THR 18 HA THR 18 9.886 -1.958 -0.436 149 HB THR 18 HB THR 18 9.267 -3.786 1.870 150 HG1 THR 18 HG1 THR 18 11.379 -3.964 2.369 151 HG21 THR 18 HG21 THR 18 10.666 -5.296 0.286 152 HG22 THR 18 HG22 THR 18 10.345 -4.043 -0.913 153 HG23 THR 18 HG23 THR 18 9.005 -4.900 -0.152 154 H LYS 19 H LYS 19 8.075 -3.362 -1.160 155 HA LYS 19 HA LYS 19 5.519 -2.154 -0.223 156 HB2 LYS 19 HB2 LYS 19 4.657 -2.535 -2.352 157 HB3 LYS 19 HB3 LYS 19 6.339 -2.154 -2.693 158 HG2 LYS 19 HG2 LYS 19 6.443 -4.857 -2.405 159 HG3 LYS 19 HG3 LYS 19 4.844 -4.632 -3.118 160 HD2 LYS 19 HD2 LYS 19 6.784 -2.964 -4.440 161 HD3 LYS 19 HD3 LYS 19 7.314 -4.648 -4.439 162 HE2 LYS 19 HE2 LYS 19 4.753 -5.007 -5.116 163 HE3 LYS 19 HE3 LYS 19 4.983 -3.381 -5.758 164 HZ1 LYS 19 HZ1 LYS 19 6.673 -5.736 -6.408 165 HZ2 LYS 19 HZ2 LYS 19 6.853 -4.180 -7.046 166 HZ3 LYS 19 HZ3 LYS 19 5.472 -5.088 -7.407 167 H ALA 20 H ALA 20 3.636 -3.461 0.062 168 HA ALA 20 HA ALA 20 3.779 -6.336 0.039 169 HB1 ALA 20 HB1 ALA 20 4.943 -6.573 1.955 170 HB2 ALA 20 HB2 ALA 20 4.564 -4.945 2.520 171 HB3 ALA 20 HB3 ALA 20 3.385 -6.243 2.714 172 H VAL 21 H VAL 21 1.787 -7.287 0.331 173 HA VAL 21 HA VAL 21 -0.493 -5.667 -0.099 174 HB VAL 21 HB VAL 21 -0.508 -8.434 1.128 175 HG11 VAL 21 HG11 VAL 21 -2.517 -7.131 -0.699 176 HG12 VAL 21 HG12 VAL 21 -2.681 -8.655 0.175 177 HG13 VAL 21 HG13 VAL 21 -2.649 -7.129 1.059 178 HG21 VAL 21 HG21 VAL 21 0.110 -7.506 -1.626 179 HG22 VAL 21 HG22 VAL 21 0.753 -8.878 -0.723 180 HG23 VAL 21 HG23 VAL 21 -0.855 -8.971 -1.441 181 H ASP 22 H ASP 22 0.743 -7.183 2.892 182 HA ASP 22 HA ASP 22 -0.688 -5.127 4.448 183 HB2 ASP 22 HB2 ASP 22 -1.634 -6.918 5.980 184 HB3 ASP 22 HB3 ASP 22 -2.409 -6.779 4.404 185 H ALA 23 H ALA 23 -0.036 -5.073 6.709 186 HA ALA 23 HA ALA 23 2.758 -5.256 7.021 187 HB1 ALA 23 HB1 ALA 23 1.574 -5.495 9.588 188 HB2 ALA 23 HB2 ALA 23 2.215 -4.050 8.804 189 HB3 ALA 23 HB3 ALA 23 0.517 -4.480 8.605 190 H GLU 24 H GLU 24 0.298 -7.691 7.351 191 HA GLU 24 HA GLU 24 1.565 -9.479 9.132 192 HB2 GLU 24 HB2 GLU 24 -0.020 -10.293 6.686 193 HB3 GLU 24 HB3 GLU 24 0.161 -11.183 8.191 194 HG2 GLU 24 HG2 GLU 24 -0.981 -9.186 9.300 195 HG3 GLU 24 HG3 GLU 24 -1.431 -8.701 7.666 196 H THR 25 H THR 25 1.853 -9.202 5.577 197 HA THR 25 HA THR 25 3.941 -11.275 5.550 198 HB THR 25 HB THR 25 2.315 -11.129 3.699 199 HG1 THR 25 HG1 THR 25 4.482 -11.920 3.333 200 HG21 THR 25 HG21 THR 25 1.904 -8.773 3.567 201 HG22 THR 25 HG22 THR 25 2.608 -9.279 2.031 202 HG23 THR 25 HG23 THR 25 3.601 -8.442 3.223 203 H ALA 26 H ALA 26 3.668 -7.790 5.579 204 HA ALA 26 HA ALA 26 6.316 -7.242 4.572 205 HB1 ALA 26 HB1 ALA 26 5.378 -5.206 6.376 206 HB2 ALA 26 HB2 ALA 26 5.556 -5.154 4.621 207 HB3 ALA 26 HB3 ALA 26 4.060 -5.751 5.339 208 H GLU 27 H GLU 27 4.935 -7.767 7.803 209 HA GLU 27 HA GLU 27 7.075 -6.923 9.392 210 HB2 GLU 27 HB2 GLU 27 4.951 -7.686 10.317 211 HB3 GLU 27 HB3 GLU 27 5.272 -9.329 9.780 212 HG2 GLU 27 HG2 GLU 27 7.027 -9.596 11.342 213 HG3 GLU 27 HG3 GLU 27 7.039 -7.875 11.725 214 H LYS 28 H LYS 28 6.510 -10.318 8.354 215 HA LYS 28 HA LYS 28 8.977 -11.341 9.204 216 HB2 LYS 28 HB2 LYS 28 7.158 -12.109 6.919 217 HB3 LYS 28 HB3 LYS 28 8.619 -13.018 7.283 218 HG2 LYS 28 HG2 LYS 28 7.103 -14.224 8.472 219 HG3 LYS 28 HG3 LYS 28 7.584 -13.056 9.705 220 HD2 LYS 28 HD2 LYS 28 5.446 -12.005 8.084 221 HD3 LYS 28 HD3 LYS 28 4.999 -13.570 8.768 222 HE2 LYS 28 HE2 LYS 28 6.051 -11.203 10.315 223 HE3 LYS 28 HE3 LYS 28 4.366 -11.714 10.240 224 HZ1 LYS 28 HZ1 LYS 28 5.955 -13.905 10.993 225 HZ2 LYS 28 HZ2 LYS 28 4.742 -13.130 11.880 226 HZ3 LYS 28 HZ3 LYS 28 6.344 -12.596 11.991 227 H ALA 29 H ALA 29 8.147 -9.671 6.182 228 HA ALA 29 HA ALA 29 10.611 -10.170 4.832 229 HB1 ALA 29 HB1 ALA 29 8.482 -8.066 4.584 230 HB2 ALA 29 HB2 ALA 29 9.952 -7.988 3.611 231 HB3 ALA 29 HB3 ALA 29 8.884 -9.386 3.484 232 H PHE 30 H PHE 30 9.523 -7.180 6.511 233 HA PHE 30 HA PHE 30 12.043 -5.887 6.391 234 HB2 PHE 30 HB2 PHE 30 9.846 -5.590 8.463 235 HB3 PHE 30 HB3 PHE 30 11.161 -4.449 8.200 236 HD1 PHE 30 HD2 PHE 30 11.349 -4.032 5.422 237 HD2 PHE 30 HD1 PHE 30 7.851 -4.737 7.743 238 HE1 PHE 30 HE2 PHE 30 9.996 -2.864 3.732 239 HE2 PHE 30 HE1 PHE 30 6.492 -3.571 6.055 240 HZ PHE 30 HZ PHE 30 7.565 -2.631 4.047 241 H LYS 31 H LYS 31 10.693 -8.185 8.714 242 HA LYS 31 HA LYS 31 12.781 -7.836 10.677 243 HB2 LYS 31 HB2 LYS 31 10.828 -10.094 10.164 244 HB3 LYS 31 HB3 LYS 31 11.920 -10.042 11.542 245 HG2 LYS 31 HG2 LYS 31 10.536 -7.571 11.439 246 HG3 LYS 31 HG3 LYS 31 9.354 -8.871 11.265 247 HD2 LYS 31 HD2 LYS 31 11.423 -9.247 13.343 248 HD3 LYS 31 HD3 LYS 31 10.235 -7.976 13.642 249 HE2 LYS 31 HE2 LYS 31 8.813 -10.213 12.686 250 HE3 LYS 31 HE3 LYS 31 9.952 -10.815 13.889 251 HZ1 LYS 31 HZ1 LYS 31 7.937 -10.221 14.983 252 HZ2 LYS 31 HZ2 LYS 31 7.917 -8.688 14.267 253 HZ3 LYS 31 HZ3 LYS 31 9.104 -9.073 15.409 254 H GLN 32 H GLN 32 12.290 -10.003 7.908 255 HA GLN 32 HA GLN 32 14.382 -11.822 8.405 256 HB2 GLN 32 HB2 GLN 32 12.840 -12.243 6.628 257 HB3 GLN 32 HB3 GLN 32 13.252 -10.738 5.817 258 HG2 GLN 32 HG2 GLN 32 15.027 -11.628 4.793 259 HG3 GLN 32 HG3 GLN 32 15.516 -12.545 6.217 260 HE21 GLN 32 HE21 GLN 32 15.036 -13.105 3.226 261 HE22 GLN 32 HE22 GLN 32 14.136 -14.579 3.244 262 H TYR 33 H TYR 33 14.451 -8.575 6.978 263 HA TYR 33 HA TYR 33 17.237 -8.749 6.197 264 HB2 TYR 33 HB2 TYR 33 15.717 -7.202 5.083 265 HB3 TYR 33 HB3 TYR 33 15.413 -6.358 6.597 266 HD1 TYR 33 HD2 TYR 33 17.952 -7.035 4.003 267 HD2 TYR 33 HD1 TYR 33 16.920 -4.701 7.407 268 HE1 TYR 33 HE2 TYR 33 19.834 -5.524 3.530 269 HE2 TYR 33 HE1 TYR 33 18.798 -3.182 6.943 270 HH TYR 33 HH TYR 33 20.274 -2.536 5.273 271 H ALA 34 H ALA 34 15.649 -8.388 9.174 272 HA ALA 34 HA ALA 34 17.685 -6.705 10.431 273 HB1 ALA 34 HB1 ALA 34 16.136 -6.481 12.010 274 HB2 ALA 34 HB2 ALA 34 15.074 -7.514 11.052 275 HB3 ALA 34 HB3 ALA 34 16.097 -8.220 12.303 276 H ASN 35 H ASN 35 16.595 -10.079 11.049 277 HA ASN 35 HA ASN 35 18.750 -10.828 12.673 278 HB2 ASN 35 HB2 ASN 35 16.911 -12.311 12.529 279 HB3 ASN 35 HB3 ASN 35 17.011 -12.407 10.773 280 HD21 ASN 35 HD21 ASN 35 17.267 -14.554 10.538 281 HD22 ASN 35 HD22 ASN 35 18.613 -15.448 11.151 282 H ASP 36 H ASP 36 18.605 -10.431 9.201 283 HA ASP 36 HA ASP 36 21.072 -11.908 8.701 284 HB2 ASP 36 HB2 ASP 36 19.141 -10.299 7.098 285 HB3 ASP 36 HB3 ASP 36 20.780 -10.442 6.470 286 H ASN 37 H ASN 37 20.150 -8.602 9.433 287 HA ASN 37 HA ASN 37 23.006 -7.793 9.069 288 HB2 ASN 37 HB2 ASN 37 20.435 -6.201 8.966 289 HB3 ASN 37 HB3 ASN 37 22.014 -5.436 9.113 290 HD21 ASN 37 HD21 ASN 37 19.863 -7.205 7.055 291 HD22 ASN 37 HD22 ASN 37 20.743 -6.970 5.587 292 H GLY 38 H GLY 38 21.727 -9.217 11.374 293 HA2 GLY 38 HA2 GLY 38 21.984 -9.126 13.674 294 HA3 GLY 38 HA3 GLY 38 23.017 -7.722 13.451 295 H VAL 39 H VAL 39 22.050 -6.995 15.478 296 HA VAL 39 HA VAL 39 20.666 -5.513 16.562 297 HB VAL 39 HB VAL 39 19.253 -5.051 13.926 298 HG11 VAL 39 HG11 VAL 39 18.414 -3.106 14.845 299 HG12 VAL 39 HG12 VAL 39 18.375 -4.202 16.227 300 HG13 VAL 39 HG13 VAL 39 19.674 -3.018 16.075 301 HG21 VAL 39 HG21 VAL 39 21.824 -3.909 14.985 302 HG22 VAL 39 HG22 VAL 39 21.525 -4.675 13.425 303 HG23 VAL 39 HG23 VAL 39 20.853 -3.081 13.768 304 H ASP 40 H ASP 40 18.945 -5.812 17.849 305 HA ASP 40 HA ASP 40 16.489 -7.012 16.908 306 HB2 ASP 40 HB2 ASP 40 18.107 -8.990 17.095 307 HB3 ASP 40 HB3 ASP 40 18.063 -8.728 18.837 308 H GLY 41 H GLY 41 14.896 -6.234 18.120 309 HA2 GLY 41 HA2 GLY 41 15.071 -6.079 20.993 310 HA3 GLY 41 HA3 GLY 41 15.315 -4.495 20.271 311 H VAL 42 H VAL 42 13.568 -3.279 20.151 312 HA VAL 42 HA VAL 42 10.930 -4.589 20.342 313 HB VAL 42 HB VAL 42 10.036 -2.369 20.680 314 HG11 VAL 42 HG11 VAL 42 12.614 -2.750 22.200 315 HG12 VAL 42 HG12 VAL 42 11.285 -1.694 22.685 316 HG13 VAL 42 HG13 VAL 42 11.045 -3.440 22.612 317 HG21 VAL 42 HG21 VAL 42 12.484 -1.562 19.344 318 HG22 VAL 42 HG22 VAL 42 10.963 -0.690 19.538 319 HG23 VAL 42 HG23 VAL 42 12.183 -0.631 20.811 320 H TRP 43 H TRP 43 9.344 -4.573 18.817 321 HA TRP 43 HA TRP 43 10.091 -3.367 16.182 322 HB2 TRP 43 HB2 TRP 43 9.204 -6.121 16.872 323 HB3 TRP 43 HB3 TRP 43 8.497 -5.411 15.424 324 HD1 TRP 43 HD1 TRP 43 11.821 -6.661 16.831 325 HE1 TRP 43 HE1 TRP 43 13.497 -6.911 14.894 326 HE3 TRP 43 HE3 TRP 43 9.076 -4.498 13.100 327 HZ2 TRP 43 HZ2 TRP 43 13.637 -6.275 12.148 328 HZ3 TRP 43 HZ3 TRP 43 10.054 -4.358 10.846 329 HH2 TRP 43 HH2 TRP 43 12.288 -5.228 10.382 330 H THR 44 H THR 44 8.864 -1.542 16.318 331 HA THR 44 HA THR 44 6.026 -1.794 17.096 332 HB THR 44 HB THR 44 6.005 0.700 16.709 333 HG1 THR 44 HG1 THR 44 7.656 1.200 15.409 334 HG21 THR 44 HG21 THR 44 6.471 0.842 18.884 335 HG22 THR 44 HG22 THR 44 8.188 0.584 18.573 336 HG23 THR 44 HG23 THR 44 7.118 -0.796 18.813 337 H TYR 45 H TYR 45 4.366 -0.662 15.747 338 HA TYR 45 HA TYR 45 4.940 -0.525 12.873 339 HB2 TYR 45 HB2 TYR 45 4.545 -2.831 12.831 340 HB3 TYR 45 HB3 TYR 45 3.319 -2.751 14.091 341 HD1 TYR 45 HD2 TYR 45 3.848 -1.281 10.688 342 HD2 TYR 45 HD1 TYR 45 1.173 -3.187 13.392 343 HE1 TYR 45 HE2 TYR 45 2.092 -1.243 8.967 344 HE2 TYR 45 HE1 TYR 45 -0.591 -3.155 11.678 345 HH TYR 45 HH TYR 45 -1.190 -2.360 9.667 346 H ASP 46 H ASP 46 3.528 0.756 11.777 347 HA ASP 46 HA ASP 46 1.112 1.659 13.283 348 HB2 ASP 46 HB2 ASP 46 2.835 3.374 13.542 349 HB3 ASP 46 HB3 ASP 46 3.086 3.422 11.799 350 H ASP 47 H ASP 47 -0.667 1.304 12.161 351 HA ASP 47 HA ASP 47 -0.497 0.678 9.312 352 HB2 ASP 47 HB2 ASP 47 -2.863 0.186 9.488 353 HB3 ASP 47 HB3 ASP 47 -2.036 -0.499 10.885 354 H ALA 48 H ALA 48 -0.345 3.526 10.860 355 HA ALA 48 HA ALA 48 -2.199 4.961 9.035 356 HB1 ALA 48 HB1 ALA 48 -1.441 5.364 11.692 357 HB2 ALA 48 HB2 ALA 48 -0.652 6.660 10.792 358 HB3 ALA 48 HB3 ALA 48 -2.399 6.445 10.681 359 H THR 49 H THR 49 1.182 5.374 10.191 360 HA THR 49 HA THR 49 1.799 6.653 7.574 361 HB THR 49 HB THR 49 3.722 7.608 8.599 362 HG1 THR 49 HG1 THR 49 4.652 6.123 9.866 363 HG21 THR 49 HG21 THR 49 1.184 8.119 9.527 364 HG22 THR 49 HG22 THR 49 2.608 9.112 9.835 365 HG23 THR 49 HG23 THR 49 2.106 7.900 11.013 366 H LYS 50 H LYS 50 1.422 3.777 7.806 367 HA LYS 50 HA LYS 50 2.650 1.770 7.620 368 HB2 LYS 50 HB2 LYS 50 3.946 3.208 5.318 369 HB3 LYS 50 HB3 LYS 50 3.313 1.569 5.387 370 HG2 LYS 50 HG2 LYS 50 1.694 4.107 5.331 371 HG3 LYS 50 HG3 LYS 50 1.902 2.960 4.006 372 HD2 LYS 50 HD2 LYS 50 0.224 1.714 4.769 373 HD3 LYS 50 HD3 LYS 50 1.000 1.575 6.348 374 HE2 LYS 50 HE2 LYS 50 -0.357 3.100 7.266 375 HE3 LYS 50 HE3 LYS 50 -0.216 4.186 5.885 376 HZ1 LYS 50 HZ1 LYS 50 -2.086 1.923 6.247 377 HZ2 LYS 50 HZ2 LYS 50 -1.782 2.593 4.725 378 HZ3 LYS 50 HZ3 LYS 50 -2.450 3.548 5.951 379 H THR 51 H THR 51 3.927 2.748 9.650 380 HA THR 51 HA THR 51 6.815 2.636 8.870 381 HB THR 51 HB THR 51 5.564 4.170 11.167 382 HG1 THR 51 HG1 THR 51 7.153 5.301 9.138 383 HG21 THR 51 HG21 THR 51 7.554 3.760 12.151 384 HG22 THR 51 HG22 THR 51 8.149 4.991 11.037 385 HG23 THR 51 HG23 THR 51 8.318 3.282 10.636 386 H PHE 52 H PHE 52 8.150 1.289 9.983 387 HA PHE 52 HA PHE 52 6.815 -0.397 12.063 388 HB2 PHE 52 HB2 PHE 52 8.534 -1.076 9.736 389 HB3 PHE 52 HB3 PHE 52 8.841 -1.974 11.218 390 HD1 PHE 52 HD2 PHE 52 6.379 -1.247 8.598 391 HD2 PHE 52 HD1 PHE 52 7.263 -3.565 12.057 392 HE1 PHE 52 HE2 PHE 52 4.482 -2.727 8.087 393 HE2 PHE 52 HE1 PHE 52 5.367 -5.049 11.551 394 HZ PHE 52 HZ PHE 52 3.973 -4.630 9.564 395 H THR 53 H THR 53 10.149 0.312 10.931 396 HA THR 53 HA THR 53 12.017 0.974 12.101 397 HB THR 53 HB THR 53 10.237 1.633 14.458 398 HG1 THR 53 HG1 THR 53 10.160 3.753 13.453 399 HG21 THR 53 HG21 THR 53 12.980 1.745 14.146 400 HG22 THR 53 HG22 THR 53 12.036 2.630 15.344 401 HG23 THR 53 HG23 THR 53 12.462 3.397 13.814 402 H VAL 54 H VAL 54 13.552 -0.142 13.161 403 HA VAL 54 HA VAL 54 12.605 -2.235 15.079 404 HB VAL 54 HB VAL 54 13.186 -3.399 13.069 405 HG11 VAL 54 HG11 VAL 54 15.942 -2.847 12.712 406 HG12 VAL 54 HG12 VAL 54 14.610 -2.545 11.595 407 HG13 VAL 54 HG13 VAL 54 15.087 -1.306 12.756 408 HG21 VAL 54 HG21 VAL 54 14.100 -4.151 15.368 409 HG22 VAL 54 HG22 VAL 54 14.709 -4.937 13.911 410 HG23 VAL 54 HG23 VAL 54 15.672 -3.695 14.712 411 H THR 55 H THR 55 13.282 -1.666 17.031 412 HA THR 55 HA THR 55 15.938 -0.331 17.260 413 HB THR 55 HB THR 55 14.245 -0.591 19.675 414 HG1 THR 55 HG1 THR 55 13.079 1.387 18.698 415 HG21 THR 55 HG21 THR 55 15.081 2.056 18.769 416 HG22 THR 55 HG22 THR 55 16.415 0.909 18.896 417 HG23 THR 55 HG23 THR 55 15.393 1.232 20.296 418 H GLU 56 H GLU 56 17.221 -0.877 19.247 419 HA GLU 56 HA GLU 56 17.320 -3.839 19.463 420 HB2 GLU 56 HB2 GLU 56 19.287 -1.618 19.763 421 HB3 GLU 56 HB3 GLU 56 19.542 -3.058 20.739 422 HG2 GLU 56 HG2 GLU 56 18.966 -3.918 18.113 423 HG3 GLU 56 HG3 GLU 56 20.155 -2.622 17.998 Start of MODEL 60 1 H1 MET 1 H MET 1 0.540 0.411 0.912 2 HA MET 1 HA MET 1 1.478 -1.102 -0.503 3 HB2 MET 1 HB2 MET 1 1.509 1.364 -2.218 4 HB3 MET 1 HB3 MET 1 2.231 -0.135 -2.789 5 HG2 MET 1 HG2 MET 1 0.239 -0.776 -3.488 6 HG3 MET 1 HG3 MET 1 -0.296 -0.829 -1.810 7 HE1 MET 1 HE1 MET 1 -0.714 2.602 -4.771 8 HE2 MET 1 HE2 MET 1 0.391 1.228 -4.818 9 HE3 MET 1 HE3 MET 1 -1.301 1.015 -5.269 10 H GLN 2 H GLN 2 3.184 1.808 0.317 11 HA GLN 2 HA GLN 2 5.733 0.258 0.150 12 HB2 GLN 2 HB2 GLN 2 5.353 3.195 -0.498 13 HB3 GLN 2 HB3 GLN 2 6.897 2.356 -0.441 14 HG2 GLN 2 HG2 GLN 2 6.569 1.319 -2.427 15 HG3 GLN 2 HG3 GLN 2 4.821 1.228 -2.218 16 HE21 GLN 2 HE21 GLN 2 6.482 2.132 -4.487 17 HE22 GLN 2 HE22 GLN 2 5.934 3.730 -4.847 18 H TYR 3 H TYR 3 6.369 -0.138 2.154 19 HA TYR 3 HA TYR 3 5.871 1.972 4.209 20 HB2 TYR 3 HB2 TYR 3 6.697 -0.836 4.881 21 HB3 TYR 3 HB3 TYR 3 5.740 0.301 5.823 22 HD1 TYR 3 HD1 TYR 3 3.595 1.087 4.083 23 HD2 TYR 3 HD2 TYR 3 5.433 -2.728 4.486 24 HE1 TYR 3 HE1 TYR 3 1.530 0.015 3.286 25 HE2 TYR 3 HE2 TYR 3 3.374 -3.811 3.689 26 HH TYR 3 HH TYR 3 0.797 -3.096 3.700 27 H LYS 4 H LYS 4 7.537 2.072 5.978 28 HA LYS 4 HA LYS 4 10.261 1.789 4.768 29 HB2 LYS 4 HB2 LYS 4 8.957 4.127 5.593 30 HB3 LYS 4 HB3 LYS 4 10.084 3.767 6.894 31 HG2 LYS 4 HG2 LYS 4 11.933 3.748 5.349 32 HG3 LYS 4 HG3 LYS 4 10.834 3.966 3.984 33 HD2 LYS 4 HD2 LYS 4 10.859 5.950 6.224 34 HD3 LYS 4 HD3 LYS 4 12.097 6.020 4.968 35 HE2 LYS 4 HE2 LYS 4 10.460 6.323 3.265 36 HE3 LYS 4 HE3 LYS 4 9.143 5.966 4.382 37 HZ1 LYS 4 HZ1 LYS 4 9.891 8.430 3.750 38 HZ2 LYS 4 HZ2 LYS 4 10.872 8.188 5.107 39 HZ3 LYS 4 HZ3 LYS 4 9.193 8.034 5.240 40 H LEU 5 H LEU 5 12.012 1.338 6.195 41 HA LEU 5 HA LEU 5 11.135 0.178 8.807 42 HB2 LEU 5 HB2 LEU 5 11.522 -1.730 7.556 43 HB3 LEU 5 HB3 LEU 5 12.832 -0.992 6.637 44 HG LEU 5 HG LEU 5 14.344 -1.236 8.490 45 HD11 LEU 5 HD11 LEU 5 11.851 -1.737 9.981 46 HD12 LEU 5 HD12 LEU 5 13.348 -0.959 10.493 47 HD13 LEU 5 HD13 LEU 5 13.243 -2.718 10.440 48 HD21 LEU 5 HD21 LEU 5 13.675 -3.880 8.875 49 HD22 LEU 5 HD22 LEU 5 14.652 -3.238 7.554 50 HD23 LEU 5 HD23 LEU 5 12.921 -3.492 7.328 51 H VAL 6 H VAL 6 11.868 1.671 10.208 52 HA VAL 6 HA VAL 6 14.566 2.813 9.812 53 HB VAL 6 HB VAL 6 12.497 3.333 11.965 54 HG11 VAL 6 HG11 VAL 6 14.681 3.817 12.828 55 HG12 VAL 6 HG12 VAL 6 15.121 4.687 11.357 56 HG13 VAL 6 HG13 VAL 6 13.890 5.343 12.437 57 HG21 VAL 6 HG21 VAL 6 11.879 5.266 10.782 58 HG22 VAL 6 HG22 VAL 6 13.284 5.169 9.720 59 HG23 VAL 6 HG23 VAL 6 11.975 3.999 9.559 60 H ILE 7 H ILE 7 16.336 1.993 10.680 61 HA ILE 7 HA ILE 7 15.997 0.076 12.946 62 HB ILE 7 HB ILE 7 18.291 0.369 10.990 63 HG12 ILE 7 HG12 ILE 7 16.703 -2.126 11.198 64 HG13 ILE 7 HG13 ILE 7 15.891 -0.747 10.464 65 HG21 ILE 7 HG21 ILE 7 18.872 -1.916 12.089 66 HG22 ILE 7 HG22 ILE 7 19.327 -0.416 12.896 67 HG23 ILE 7 HG23 ILE 7 17.903 -1.307 13.431 68 HD11 ILE 7 HD11 ILE 7 17.968 -2.473 9.403 69 HD12 ILE 7 HD12 ILE 7 16.832 -1.414 8.567 70 HD13 ILE 7 HD13 ILE 7 18.335 -0.758 9.216 71 H ASN 8 H ASN 8 16.822 0.502 14.890 72 HA ASN 8 HA ASN 8 18.754 2.780 15.074 73 HB2 ASN 8 HB2 ASN 8 16.175 2.341 16.426 74 HB3 ASN 8 HB3 ASN 8 17.493 2.745 17.522 75 HD21 ASN 8 HD21 ASN 8 18.960 4.547 16.415 76 HD22 ASN 8 HD22 ASN 8 18.067 5.938 15.914 77 H GLY 9 H GLY 9 20.183 0.766 14.808 78 HA2 GLY 9 HA2 GLY 9 20.401 -0.867 17.239 79 HA3 GLY 9 HA3 GLY 9 21.396 -0.988 15.796 80 H LYS 10 H LYS 10 22.901 -1.299 17.806 81 HA LYS 10 HA LYS 10 23.715 1.168 19.112 82 HB2 LYS 10 HB2 LYS 10 24.175 -1.609 19.446 83 HB3 LYS 10 HB3 LYS 10 25.750 -0.870 19.190 84 HG2 LYS 10 HG2 LYS 10 23.743 0.036 21.244 85 HG3 LYS 10 HG3 LYS 10 25.117 -1.024 21.567 86 HD2 LYS 10 HD2 LYS 10 25.942 1.361 20.159 87 HD3 LYS 10 HD3 LYS 10 25.086 1.763 21.650 88 HE2 LYS 10 HE2 LYS 10 27.121 1.488 22.579 89 HE3 LYS 10 HE3 LYS 10 26.685 -0.220 22.533 90 HZ1 LYS 10 HZ1 LYS 10 28.795 1.098 21.207 91 HZ2 LYS 10 HZ2 LYS 10 27.767 0.407 20.056 92 HZ3 LYS 10 HZ3 LYS 10 28.451 -0.558 21.266 93 H THR 11 H THR 11 25.169 -0.964 16.622 94 HA THR 11 HA THR 11 26.742 1.415 15.720 95 HB THR 11 HB THR 11 27.981 -1.208 15.197 96 HG1 THR 11 HG1 THR 11 27.212 -1.526 17.349 97 HG21 THR 11 HG21 THR 11 29.521 0.798 16.632 98 HG22 THR 11 HG22 THR 11 28.734 1.456 15.197 99 HG23 THR 11 HG23 THR 11 29.813 0.068 15.054 100 H LEU 12 H LEU 12 24.159 0.306 14.815 101 HA LEU 12 HA LEU 12 24.906 0.064 11.968 102 HB2 LEU 12 HB2 LEU 12 24.804 -2.250 12.740 103 HB3 LEU 12 HB3 LEU 12 23.189 -1.979 13.392 104 HG LEU 12 HG LEU 12 22.259 -1.781 11.202 105 HD11 LEU 12 HD11 LEU 12 23.692 -2.023 9.183 106 HD12 LEU 12 HD12 LEU 12 25.106 -1.861 10.224 107 HD13 LEU 12 HD13 LEU 12 23.961 -0.528 10.080 108 HD21 LEU 12 HD21 LEU 12 23.707 -4.102 12.062 109 HD22 LEU 12 HD22 LEU 12 23.694 -4.018 10.300 110 HD23 LEU 12 HD23 LEU 12 22.174 -3.999 11.195 111 H LYS 13 H LYS 13 23.819 1.663 11.058 112 HA LYS 13 HA LYS 13 20.938 1.955 11.802 113 HB2 LYS 13 HB2 LYS 13 22.649 4.319 11.047 114 HB3 LYS 13 HB3 LYS 13 21.090 4.301 11.862 115 HG2 LYS 13 HG2 LYS 13 22.462 3.006 13.707 116 HG3 LYS 13 HG3 LYS 13 23.813 3.859 12.957 117 HD2 LYS 13 HD2 LYS 13 22.836 5.976 13.406 118 HD3 LYS 13 HD3 LYS 13 21.295 5.244 13.856 119 HE2 LYS 13 HE2 LYS 13 22.742 4.040 15.673 120 HE3 LYS 13 HE3 LYS 13 23.859 5.372 15.382 121 HZ1 LYS 13 HZ1 LYS 13 21.702 6.783 15.687 122 HZ2 LYS 13 HZ2 LYS 13 22.567 6.237 17.035 123 HZ3 LYS 13 HZ3 LYS 13 21.166 5.425 16.544 124 H GLY 14 H GLY 14 19.532 2.663 10.154 125 HA2 GLY 14 HA2 GLY 14 20.197 3.503 7.594 126 HA3 GLY 14 HA3 GLY 14 20.335 1.753 7.523 127 H GLU 15 H GLU 15 18.593 2.555 5.823 128 HA GLU 15 HA GLU 15 16.011 1.852 7.092 129 HB2 GLU 15 HB2 GLU 15 16.015 4.114 5.122 130 HB3 GLU 15 HB3 GLU 15 14.829 3.709 6.356 131 HG2 GLU 15 HG2 GLU 15 16.570 4.375 8.062 132 HG3 GLU 15 HG3 GLU 15 17.495 5.039 6.717 133 H THR 16 H THR 16 14.342 1.272 5.501 134 HA THR 16 HA THR 16 15.227 0.780 2.754 135 HB THR 16 HB THR 16 16.234 -1.136 4.005 136 HG1 THR 16 HG1 THR 16 15.785 -1.620 1.917 137 HG21 THR 16 HG21 THR 16 14.723 -2.893 4.855 138 HG22 THR 16 HG22 THR 16 13.349 -1.822 4.579 139 HG23 THR 16 HG23 THR 16 14.580 -1.391 5.766 140 H THR 17 H THR 17 13.489 -0.686 1.623 141 HA THR 17 HA THR 17 10.805 -0.155 2.786 142 HB THR 17 HB THR 17 9.949 0.831 0.768 143 HG1 THR 17 HG1 THR 17 11.529 1.301 -0.964 144 HG21 THR 17 HG21 THR 17 10.900 2.940 0.922 145 HG22 THR 17 HG22 THR 17 12.533 2.302 1.120 146 HG23 THR 17 HG23 THR 17 11.381 2.208 2.452 147 H THR 18 H THR 18 9.054 -1.193 1.405 148 HA THR 18 HA THR 18 9.945 -3.462 -0.227 149 HB THR 18 HB THR 18 10.116 -4.236 2.195 150 HG1 THR 18 HG1 THR 18 9.712 -6.163 1.397 151 HG21 THR 18 HG21 THR 18 7.109 -4.334 2.057 152 HG22 THR 18 HG22 THR 18 7.983 -3.033 2.867 153 HG23 THR 18 HG23 THR 18 8.151 -4.694 3.433 154 H LYS 19 H LYS 19 7.709 -5.007 -0.270 155 HA LYS 19 HA LYS 19 5.401 -3.192 -0.657 156 HB2 LYS 19 HB2 LYS 19 6.845 -4.655 -2.844 157 HB3 LYS 19 HB3 LYS 19 5.101 -4.459 -2.950 158 HG2 LYS 19 HG2 LYS 19 5.323 -2.058 -2.865 159 HG3 LYS 19 HG3 LYS 19 7.066 -2.201 -2.626 160 HD2 LYS 19 HD2 LYS 19 6.555 -1.661 -4.945 161 HD3 LYS 19 HD3 LYS 19 7.273 -3.269 -4.823 162 HE2 LYS 19 HE2 LYS 19 4.443 -3.506 -4.579 163 HE3 LYS 19 HE3 LYS 19 4.806 -2.524 -5.997 164 HZ1 LYS 19 HZ1 LYS 19 6.474 -4.853 -5.758 165 HZ2 LYS 19 HZ2 LYS 19 5.602 -4.281 -7.089 166 HZ3 LYS 19 HZ3 LYS 19 4.832 -5.227 -5.917 167 H ALA 20 H ALA 20 3.902 -4.124 0.560 168 HA ALA 20 HA ALA 20 3.385 -7.023 0.091 169 HB1 ALA 20 HB1 ALA 20 2.793 -6.487 2.809 170 HB2 ALA 20 HB2 ALA 20 4.013 -7.576 2.148 171 HB3 ALA 20 HB3 ALA 20 4.428 -5.900 2.503 172 H VAL 21 H VAL 21 1.227 -7.716 0.640 173 HA VAL 21 HA VAL 21 -0.714 -5.572 0.078 174 HB VAL 21 HB VAL 21 -2.356 -7.452 -0.021 175 HG11 VAL 21 HG11 VAL 21 0.116 -7.837 -1.707 176 HG12 VAL 21 HG12 VAL 21 -1.511 -8.399 -2.098 177 HG13 VAL 21 HG13 VAL 21 -1.169 -6.670 -2.019 178 HG21 VAL 21 HG21 VAL 21 -1.873 -9.589 0.528 179 HG22 VAL 21 HG22 VAL 21 -0.210 -9.475 -0.047 180 HG23 VAL 21 HG23 VAL 21 -0.641 -8.829 1.536 181 H ASP 22 H ASP 22 0.764 -6.427 2.800 182 HA ASP 22 HA ASP 22 -1.190 -5.280 4.512 183 HB2 ASP 22 HB2 ASP 22 -2.494 -7.284 4.267 184 HB3 ASP 22 HB3 ASP 22 -1.086 -8.308 4.539 185 H ALA 23 H ALA 23 -0.462 -5.021 6.651 186 HA ALA 23 HA ALA 23 2.311 -4.785 6.973 187 HB1 ALA 23 HB1 ALA 23 1.709 -4.821 9.488 188 HB2 ALA 23 HB2 ALA 23 1.012 -3.563 8.466 189 HB3 ALA 23 HB3 ALA 23 0.042 -4.961 8.931 190 H GLU 24 H GLU 24 0.246 -7.577 7.415 191 HA GLU 24 HA GLU 24 1.875 -9.133 9.116 192 HB2 GLU 24 HB2 GLU 24 -0.324 -9.893 8.589 193 HB3 GLU 24 HB3 GLU 24 0.009 -9.898 6.863 194 HG2 GLU 24 HG2 GLU 24 1.363 -11.810 7.020 195 HG3 GLU 24 HG3 GLU 24 1.473 -11.685 8.775 196 H THR 25 H THR 25 1.625 -9.656 5.577 197 HA THR 25 HA THR 25 4.023 -11.158 5.403 198 HB THR 25 HB THR 25 2.484 -11.312 3.599 199 HG1 THR 25 HG1 THR 25 3.855 -10.856 1.839 200 HG21 THR 25 HG21 THR 25 2.570 -8.352 3.686 201 HG22 THR 25 HG22 THR 25 1.214 -9.438 3.386 202 HG23 THR 25 HG23 THR 25 2.370 -9.095 2.100 203 H ALA 26 H ALA 26 3.449 -7.704 5.453 204 HA ALA 26 HA ALA 26 5.965 -6.910 4.308 205 HB1 ALA 26 HB1 ALA 26 4.560 -5.229 6.344 206 HB2 ALA 26 HB2 ALA 26 5.345 -4.758 4.836 207 HB3 ALA 26 HB3 ALA 26 3.773 -5.556 4.799 208 H GLU 27 H GLU 27 4.843 -7.346 7.680 209 HA GLU 27 HA GLU 27 7.138 -6.467 9.014 210 HB2 GLU 27 HB2 GLU 27 5.159 -7.063 10.239 211 HB3 GLU 27 HB3 GLU 27 5.240 -8.728 9.681 212 HG2 GLU 27 HG2 GLU 27 7.033 -9.240 11.069 213 HG3 GLU 27 HG3 GLU 27 7.453 -7.544 11.308 214 H LYS 28 H LYS 28 6.404 -9.840 8.019 215 HA LYS 28 HA LYS 28 8.799 -11.025 8.818 216 HB2 LYS 28 HB2 LYS 28 6.663 -11.620 6.923 217 HB3 LYS 28 HB3 LYS 28 8.213 -12.248 6.378 218 HG2 LYS 28 HG2 LYS 28 8.149 -13.904 7.852 219 HG3 LYS 28 HG3 LYS 28 7.794 -12.796 9.180 220 HD2 LYS 28 HD2 LYS 28 5.629 -13.344 9.173 221 HD3 LYS 28 HD3 LYS 28 5.514 -13.154 7.421 222 HE2 LYS 28 HE2 LYS 28 6.913 -15.552 8.484 223 HE3 LYS 28 HE3 LYS 28 5.155 -15.496 8.609 224 HZ1 LYS 28 HZ1 LYS 28 6.727 -16.093 6.361 225 HZ2 LYS 28 HZ2 LYS 28 5.846 -14.688 6.033 226 HZ3 LYS 28 HZ3 LYS 28 5.041 -16.101 6.498 227 H ALA 29 H ALA 29 8.116 -9.158 5.874 228 HA ALA 29 HA ALA 29 10.547 -9.714 4.512 229 HB1 ALA 29 HB1 ALA 29 9.244 -7.024 4.324 230 HB2 ALA 29 HB2 ALA 29 9.941 -8.030 3.054 231 HB3 ALA 29 HB3 ALA 29 8.383 -8.457 3.761 232 H PHE 30 H PHE 30 9.717 -7.297 6.982 233 HA PHE 30 HA PHE 30 12.332 -6.007 6.794 234 HB2 PHE 30 HB2 PHE 30 10.267 -5.757 9.000 235 HB3 PHE 30 HB3 PHE 30 11.563 -4.628 8.619 236 HD1 PHE 30 HD1 PHE 30 11.437 -4.126 5.853 237 HD2 PHE 30 HD2 PHE 30 8.217 -4.855 8.539 238 HE1 PHE 30 HE1 PHE 30 9.919 -2.885 4.365 239 HE2 PHE 30 HE2 PHE 30 6.694 -3.617 7.056 240 HZ PHE 30 HZ PHE 30 7.544 -2.630 4.965 241 H LYS 31 H LYS 31 10.715 -8.329 8.949 242 HA LYS 31 HA LYS 31 12.687 -8.434 10.971 243 HB2 LYS 31 HB2 LYS 31 10.737 -10.477 9.904 244 HB3 LYS 31 HB3 LYS 31 11.824 -10.850 11.236 245 HG2 LYS 31 HG2 LYS 31 10.487 -8.358 11.725 246 HG3 LYS 31 HG3 LYS 31 9.313 -9.627 11.366 247 HD2 LYS 31 HD2 LYS 31 10.990 -10.940 13.042 248 HD3 LYS 31 HD3 LYS 31 11.103 -9.298 13.679 249 HE2 LYS 31 HE2 LYS 31 9.336 -10.487 14.816 250 HE3 LYS 31 HE3 LYS 31 8.641 -9.214 13.813 251 HZ1 LYS 31 HZ1 LYS 31 7.821 -11.768 13.815 252 HZ2 LYS 31 HZ2 LYS 31 8.889 -11.777 12.504 253 HZ3 LYS 31 HZ3 LYS 31 7.590 -10.695 12.528 254 H GLN 32 H GLN 32 12.386 -10.329 7.952 255 HA GLN 32 HA GLN 32 14.662 -11.972 8.388 256 HB2 GLN 32 HB2 GLN 32 12.887 -12.289 6.636 257 HB3 GLN 32 HB3 GLN 32 13.629 -10.986 5.717 258 HG2 GLN 32 HG2 GLN 32 15.772 -12.377 5.832 259 HG3 GLN 32 HG3 GLN 32 14.725 -13.703 6.334 260 HE21 GLN 32 HE21 GLN 32 15.475 -11.464 3.756 261 HE22 GLN 32 HE22 GLN 32 14.724 -12.368 2.490 262 H TYR 33 H TYR 33 14.329 -8.675 7.217 263 HA TYR 33 HA TYR 33 17.029 -8.516 6.164 264 HB2 TYR 33 HB2 TYR 33 15.115 -7.050 5.458 265 HB3 TYR 33 HB3 TYR 33 15.208 -6.248 7.022 266 HD1 TYR 33 HD1 TYR 33 17.059 -4.761 7.551 267 HD2 TYR 33 HD2 TYR 33 16.818 -6.689 3.766 268 HE1 TYR 33 HE1 TYR 33 18.761 -3.222 6.666 269 HE2 TYR 33 HE2 TYR 33 18.520 -5.156 2.870 270 HH TYR 33 HH TYR 33 20.360 -3.071 4.888 271 H ALA 34 H ALA 34 15.418 -7.301 9.127 272 HA ALA 34 HA ALA 34 17.766 -6.161 10.272 273 HB1 ALA 34 HB1 ALA 34 15.189 -6.064 10.919 274 HB2 ALA 34 HB2 ALA 34 15.689 -7.310 12.064 275 HB3 ALA 34 HB3 ALA 34 16.464 -5.726 12.090 276 H ASN 35 H ASN 35 16.220 -9.358 10.769 277 HA ASN 35 HA ASN 35 18.114 -10.308 12.664 278 HB2 ASN 35 HB2 ASN 35 15.921 -11.373 12.195 279 HB3 ASN 35 HB3 ASN 35 16.529 -11.913 10.633 280 HD21 ASN 35 HD21 ASN 35 15.861 -14.006 11.584 281 HD22 ASN 35 HD22 ASN 35 17.021 -14.867 12.532 282 H ASP 36 H ASP 36 18.275 -9.936 9.209 283 HA ASP 36 HA ASP 36 20.531 -11.785 8.912 284 HB2 ASP 36 HB2 ASP 36 18.868 -10.088 7.134 285 HB3 ASP 36 HB3 ASP 36 20.531 -10.349 6.612 286 H ASN 37 H ASN 37 20.031 -8.469 9.736 287 HA ASN 37 HA ASN 37 22.915 -7.895 9.213 288 HB2 ASN 37 HB2 ASN 37 20.471 -6.148 9.432 289 HB3 ASN 37 HB3 ASN 37 22.073 -5.473 9.712 290 HD21 ASN 37 HD21 ASN 37 23.628 -6.653 7.894 291 HD22 ASN 37 HD22 ASN 37 23.093 -6.294 6.291 292 H GLY 38 H GLY 38 22.146 -9.540 11.403 293 HA2 GLY 38 HA2 GLY 38 22.406 -9.685 13.701 294 HA3 GLY 38 HA3 GLY 38 23.645 -8.458 13.481 295 H VAL 39 H VAL 39 20.121 -8.228 13.012 296 HA VAL 39 HA VAL 39 20.130 -6.122 15.140 297 HB VAL 39 HB VAL 39 18.270 -6.319 12.756 298 HG11 VAL 39 HG11 VAL 39 18.179 -3.752 13.715 299 HG12 VAL 39 HG12 VAL 39 16.989 -5.013 14.045 300 HG13 VAL 39 HG13 VAL 39 18.296 -4.709 15.191 301 HG21 VAL 39 HG21 VAL 39 20.063 -5.550 11.635 302 HG22 VAL 39 HG22 VAL 39 19.666 -4.018 12.413 303 HG23 VAL 39 HG23 VAL 39 20.904 -5.064 13.107 304 H ASP 40 H ASP 40 18.819 -6.358 16.832 305 HA ASP 40 HA ASP 40 16.360 -7.918 16.630 306 HB2 ASP 40 HB2 ASP 40 18.382 -9.549 17.008 307 HB3 ASP 40 HB3 ASP 40 18.321 -8.948 18.663 308 H GLY 41 H GLY 41 14.929 -6.803 17.760 309 HA2 GLY 41 HA2 GLY 41 15.408 -6.071 20.505 310 HA3 GLY 41 HA3 GLY 41 15.537 -4.665 19.459 311 H VAL 42 H VAL 42 13.762 -3.482 19.657 312 HA VAL 42 HA VAL 42 11.176 -4.850 20.089 313 HB VAL 42 HB VAL 42 11.703 -1.875 19.905 314 HG11 VAL 42 HG11 VAL 42 9.634 -2.117 21.572 315 HG12 VAL 42 HG12 VAL 42 9.437 -1.999 19.822 316 HG13 VAL 42 HG13 VAL 42 9.384 -3.575 20.613 317 HG21 VAL 42 HG21 VAL 42 12.877 -2.088 21.791 318 HG22 VAL 42 HG22 VAL 42 11.352 -2.503 22.574 319 HG23 VAL 42 HG23 VAL 42 12.414 -3.779 21.980 320 H TRP 43 H TRP 43 9.295 -4.399 18.827 321 HA TRP 43 HA TRP 43 9.924 -3.461 16.060 322 HB2 TRP 43 HB2 TRP 43 8.500 -5.971 16.935 323 HB3 TRP 43 HB3 TRP 43 8.166 -5.242 15.367 324 HD1 TRP 43 HD1 TRP 43 10.791 -7.245 17.236 325 HE1 TRP 43 HE1 TRP 43 12.614 -7.994 15.581 326 HE3 TRP 43 HE3 TRP 43 9.364 -4.506 13.162 327 HZ2 TRP 43 HZ2 TRP 43 13.351 -7.490 12.903 328 HZ3 TRP 43 HZ3 TRP 43 10.682 -4.696 11.093 329 HH2 TRP 43 HH2 TRP 43 12.634 -6.157 10.968 330 H THR 44 H THR 44 9.017 -1.444 16.448 331 HA THR 44 HA THR 44 6.156 -1.411 17.257 332 HB THR 44 HB THR 44 6.636 1.169 17.098 333 HG1 THR 44 HG1 THR 44 9.023 1.284 17.833 334 HG21 THR 44 HG21 THR 44 6.591 -0.657 19.145 335 HG22 THR 44 HG22 THR 44 6.669 1.094 19.342 336 HG23 THR 44 HG23 THR 44 8.149 0.135 19.377 337 H TYR 45 H TYR 45 4.824 -1.780 15.598 338 HA TYR 45 HA TYR 45 5.354 -0.248 13.082 339 HB2 TYR 45 HB2 TYR 45 5.115 -2.153 11.934 340 HB3 TYR 45 HB3 TYR 45 4.994 -3.033 13.454 341 HD1 TYR 45 HD1 TYR 45 3.039 -1.373 10.793 342 HD2 TYR 45 HD2 TYR 45 2.918 -3.926 14.194 343 HE1 TYR 45 HE1 TYR 45 0.718 -1.977 10.249 344 HE2 TYR 45 HE2 TYR 45 0.597 -4.538 13.660 345 HH TYR 45 HH TYR 45 -0.872 -4.589 11.626 346 H ASP 46 H ASP 46 3.727 0.919 12.169 347 HA ASP 46 HA ASP 46 1.186 1.013 13.749 348 HB2 ASP 46 HB2 ASP 46 2.558 3.058 13.975 349 HB3 ASP 46 HB3 ASP 46 2.537 3.263 12.226 350 H ASP 47 H ASP 47 -0.648 0.582 12.720 351 HA ASP 47 HA ASP 47 -0.531 -0.098 9.883 352 HB2 ASP 47 HB2 ASP 47 -1.884 -1.405 11.479 353 HB3 ASP 47 HB3 ASP 47 -2.889 0.007 11.792 354 H ALA 48 H ALA 48 -0.691 2.792 11.425 355 HA ALA 48 HA ALA 48 -2.723 3.989 9.632 356 HB1 ALA 48 HB1 ALA 48 -1.294 5.914 11.218 357 HB2 ALA 48 HB2 ALA 48 -2.995 5.450 11.284 358 HB3 ALA 48 HB3 ALA 48 -1.801 4.560 12.229 359 H THR 49 H THR 49 0.605 4.918 10.621 360 HA THR 49 HA THR 49 0.981 6.005 7.872 361 HB THR 49 HB THR 49 1.388 7.586 9.701 362 HG1 THR 49 HG1 THR 49 3.523 8.173 9.036 363 HG21 THR 49 HG21 THR 49 3.751 6.898 10.881 364 HG22 THR 49 HG22 THR 49 2.937 5.337 10.773 365 HG23 THR 49 HG23 THR 49 2.161 6.680 11.610 366 H LYS 50 H LYS 50 1.089 3.157 8.403 367 HA LYS 50 HA LYS 50 2.663 1.382 8.453 368 HB2 LYS 50 HB2 LYS 50 3.821 1.448 6.135 369 HB3 LYS 50 HB3 LYS 50 2.064 1.417 6.197 370 HG2 LYS 50 HG2 LYS 50 3.240 4.103 6.168 371 HG3 LYS 50 HG3 LYS 50 3.528 3.145 4.713 372 HD2 LYS 50 HD2 LYS 50 1.429 3.437 4.031 373 HD3 LYS 50 HD3 LYS 50 0.793 2.878 5.580 374 HE2 LYS 50 HE2 LYS 50 0.073 4.969 5.878 375 HE3 LYS 50 HE3 LYS 50 1.761 5.394 6.158 376 HZ1 LYS 50 HZ1 LYS 50 0.579 5.371 3.446 377 HZ2 LYS 50 HZ2 LYS 50 2.010 6.113 3.959 378 HZ3 LYS 50 HZ3 LYS 50 0.513 6.739 4.439 379 H THR 51 H THR 51 3.827 2.709 10.287 380 HA THR 51 HA THR 51 6.595 3.326 9.339 381 HB THR 51 HB THR 51 5.161 4.180 11.871 382 HG1 THR 51 HG1 THR 51 5.940 5.491 9.480 383 HG21 THR 51 HG21 THR 51 8.003 4.645 10.965 384 HG22 THR 51 HG22 THR 51 7.469 3.806 12.422 385 HG23 THR 51 HG23 THR 51 7.219 5.545 12.263 386 H PHE 52 H PHE 52 7.800 1.538 9.455 387 HA PHE 52 HA PHE 52 7.464 -0.213 11.841 388 HB2 PHE 52 HB2 PHE 52 8.422 -0.627 9.047 389 HB3 PHE 52 HB3 PHE 52 9.164 -1.607 10.307 390 HD1 PHE 52 HD1 PHE 52 5.875 -0.636 8.888 391 HD2 PHE 52 HD2 PHE 52 8.099 -3.517 11.093 392 HE1 PHE 52 HE1 PHE 52 3.952 -2.169 8.817 393 HE2 PHE 52 HE2 PHE 52 6.181 -5.056 11.025 394 HZ PHE 52 HZ PHE 52 4.104 -4.383 9.885 395 H THR 53 H THR 53 8.723 0.299 13.497 396 HA THR 53 HA THR 53 11.503 1.217 12.880 397 HB THR 53 HB THR 53 10.134 1.637 15.533 398 HG1 THR 53 HG1 THR 53 9.026 2.553 13.500 399 HG21 THR 53 HG21 THR 53 11.682 3.704 15.374 400 HG22 THR 53 HG22 THR 53 12.482 2.809 14.081 401 HG23 THR 53 HG23 THR 53 12.405 2.131 15.707 402 H VAL 54 H VAL 54 13.246 0.355 13.996 403 HA VAL 54 HA VAL 54 12.629 -2.002 15.725 404 HB VAL 54 HB VAL 54 14.654 -1.917 13.473 405 HG11 VAL 54 HG11 VAL 54 14.893 -4.397 14.230 406 HG12 VAL 54 HG12 VAL 54 15.780 -3.132 15.083 407 HG13 VAL 54 HG13 VAL 54 14.296 -3.789 15.774 408 HG21 VAL 54 HG21 VAL 54 12.522 -2.376 12.570 409 HG22 VAL 54 HG22 VAL 54 13.320 -3.941 12.730 410 HG23 VAL 54 HG23 VAL 54 12.102 -3.448 13.906 411 H THR 55 H THR 55 13.235 -1.173 17.648 412 HA THR 55 HA THR 55 15.865 0.207 17.803 413 HB THR 55 HB THR 55 13.663 -0.077 19.870 414 HG1 THR 55 HG1 THR 55 13.430 1.370 17.926 415 HG21 THR 55 HG21 THR 55 14.934 1.567 21.166 416 HG22 THR 55 HG22 THR 55 16.217 1.535 19.956 417 HG23 THR 55 HG23 THR 55 15.871 0.095 20.914 418 H GLU 56 H GLU 56 17.626 -0.810 18.467 419 HA GLU 56 HA GLU 56 17.305 -3.497 19.676 420 HB2 GLU 56 HB2 GLU 56 18.924 -2.755 17.711 421 HB3 GLU 56 HB3 GLU 56 19.973 -2.295 19.044 422 HG2 GLU 56 HG2 GLU 56 19.288 -4.767 19.833 423 HG3 GLU 56 HG3 GLU 56 19.186 -4.963 18.085
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