NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22591 | 2jpi | 15246 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 6.811 13.552 -5.109 2 HB2 MET 1 2HB MET 1 7.435 13.948 -2.807 3 HB3 MET 1 1HB MET 1 8.711 14.508 -3.880 4 HG2 MET 1 2HG MET 1 6.808 16.602 -3.230 5 HG3 MET 1 1HG MET 1 7.572 15.914 -1.802 6 HE1 MET 1 3HE MET 1 7.457 18.070 -4.510 7 HE2 MET 1 1HE MET 1 9.013 18.049 -5.341 8 HE3 MET 1 2HE MET 1 8.718 19.213 -4.049 9 H PHE 2 H PHE 2 4.712 13.466 -5.634 10 HA PHE 2 HA PHE 2 2.811 15.201 -4.223 11 HD1 PHE 2 1HD PHE 2 3.196 16.592 -6.668 12 HD2 PHE 2 2HD PHE 2 2.908 12.581 -8.067 13 HE1 PHE 2 1HE PHE 2 4.480 17.203 -8.675 14 HE2 PHE 2 2HE PHE 2 4.186 13.188 -10.074 15 HZ PHE 2 HZ PHE 2 4.977 15.499 -10.382 16 HB2 PHE 2 2HB PHE 2 1.803 13.175 -6.141 17 HB3 PHE 2 1HB PHE 2 1.336 14.859 -5.943 18 H ARG 3 H ARG 3 0.722 13.945 -3.458 19 HA ARG 3 HA ARG 3 1.377 11.256 -2.577 20 HE ARG 3 HE ARG 3 4.518 10.861 1.562 21 HB2 ARG 3 2HB ARG 3 1.852 13.404 -0.836 22 HB3 ARG 3 1HB ARG 3 0.360 12.661 -0.268 23 HG2 ARG 3 2HG ARG 3 1.667 11.225 0.799 24 HG3 ARG 3 1HG ARG 3 1.965 10.499 -0.765 25 HD2 ARG 3 2HD ARG 3 4.107 11.085 -0.679 26 HD3 ARG 3 1HD ARG 3 3.675 12.772 -0.413 27 HH11 ARG 3 1HH1 ARG 3 2.761 13.827 1.016 28 HH12 ARG 3 2HH1 ARG 3 2.962 14.392 2.640 29 HH21 ARG 3 1HH2 ARG 3 4.782 11.602 3.700 30 HH22 ARG 3 2HH2 ARG 3 4.109 13.129 4.164 31 H SER 4 H SER 4 -0.306 9.983 -2.729 32 HA SER 4 HA SER 4 -3.029 11.098 -2.624 33 HG SER 4 HG SER 4 -4.441 8.795 -4.390 34 HB2 SER 4 2HB SER 4 -3.025 10.284 -4.783 35 HB3 SER 4 1HB SER 4 -1.739 9.120 -4.449 36 H THR 5 H THR 5 -4.680 9.480 -1.821 37 HA THR 5 HA THR 5 -3.525 7.385 -0.174 38 HB THR 5 HB THR 5 -4.534 8.099 1.888 39 HG1 THR 5 1HG THR 5 -5.589 10.261 0.393 40 HG21 THR 5 3HG2 THR 5 -3.399 10.693 0.956 41 HG22 THR 5 1HG2 THR 5 -2.352 9.280 1.097 42 HG23 THR 5 2HG2 THR 5 -3.225 9.874 2.506 43 H SER 6 H SER 6 -4.661 5.594 -0.241 44 HA SER 6 HA SER 6 -7.474 5.756 -1.112 45 HG SER 6 HG SER 6 -7.908 2.955 -1.267 46 HB2 SER 6 2HB SER 6 -5.915 4.479 -2.591 47 HB3 SER 6 1HB SER 6 -5.613 3.370 -1.254 48 H HIS 7 H HIS 7 -9.072 4.972 0.169 49 HA HIS 7 HA HIS 7 -8.264 3.604 2.660 50 HD1 HIS 7 1HD HIS 7 -9.671 6.104 5.478 51 HD2 HIS 7 2HD HIS 7 -11.509 2.816 3.725 52 HE1 HIS 7 1HE HIS 7 -10.863 4.923 7.349 53 HE2 HIS 7 2HE HIS 7 -11.894 2.889 6.280 54 HB2 HIS 7 2HB HIS 7 -9.073 5.883 3.090 55 HB3 HIS 7 1HB HIS 7 -10.578 5.513 2.259 56 H VAL 8 H VAL 8 -9.181 1.675 3.097 57 HA VAL 8 HA VAL 8 -11.678 0.931 1.747 58 HB VAL 8 HB VAL 8 -9.468 -1.090 1.876 59 HG11 VAL 8 1HG1 VAL 8 -10.670 -2.149 0.095 60 HG12 VAL 8 2HG1 VAL 8 -11.735 -0.757 -0.081 61 HG13 VAL 8 3HG1 VAL 8 -11.812 -1.748 1.376 62 HG21 VAL 8 3HG2 VAL 8 -8.555 0.903 0.708 63 HG22 VAL 8 1HG2 VAL 8 -9.873 0.777 -0.457 64 HG23 VAL 8 2HG2 VAL 8 -8.688 -0.521 -0.321 65 H ARG 9 H ARG 9 -12.830 -0.822 2.789 66 HA ARG 9 HA ARG 9 -12.069 -1.071 5.615 67 HE ARG 9 HE ARG 9 -15.574 1.990 6.799 68 HB2 ARG 9 2HB ARG 9 -14.670 -1.119 4.196 69 HB3 ARG 9 1HB ARG 9 -14.508 -2.237 5.541 70 HG2 ARG 9 2HG ARG 9 -15.456 -0.251 6.399 71 HG3 ARG 9 1HG ARG 9 -13.779 -0.299 6.948 72 HD2 ARG 9 2HD ARG 9 -13.170 1.482 5.681 73 HD3 ARG 9 1HD ARG 9 -14.300 1.084 4.387 74 HH11 ARG 9 1HH1 ARG 9 -14.093 2.982 3.799 75 HH12 ARG 9 2HH1 ARG 9 -14.933 4.495 3.739 76 HH21 ARG 9 1HH2 ARG 9 -16.681 3.979 6.722 77 HH22 ARG 9 2HH2 ARG 9 -16.402 5.062 5.399 78 H THR 10 H THR 10 -10.744 -2.754 5.916 79 HA THR 10 HA THR 10 -11.569 -5.366 4.840 80 HB THR 10 HB THR 10 -9.301 -3.938 4.054 81 HG1 THR 10 1HG THR 10 -9.981 -5.390 2.659 82 HG21 THR 10 3HG2 THR 10 -8.226 -6.394 5.294 83 HG22 THR 10 1HG2 THR 10 -8.408 -4.965 6.316 84 HG23 THR 10 2HG2 THR 10 -7.417 -4.889 4.854 85 H GLU 11 H GLU 11 -10.823 -7.234 6.092 86 HA GLU 11 HA GLU 11 -10.490 -6.536 8.933 87 HB2 GLU 11 2HB GLU 11 -12.202 -8.364 7.586 88 HB3 GLU 11 1HB GLU 11 -11.111 -9.298 8.601 89 HG2 GLU 11 2HG GLU 11 -12.177 -8.696 10.446 90 HG3 GLU 11 1HG GLU 11 -12.120 -6.991 9.999 91 H SER 12 H SER 12 -8.904 -7.530 10.216 92 HA SER 12 HA SER 12 -6.871 -8.403 10.700 93 HG SER 12 HG SER 12 -5.533 -10.485 8.585 94 HB2 SER 12 2HB SER 12 -7.802 -10.537 10.273 95 HB3 SER 12 1HB SER 12 -7.748 -10.300 8.526 96 H ALA 13 H ALA 13 -7.149 -6.293 8.685 97 HA ALA 13 HA ALA 13 -5.442 -6.443 6.519 98 HB1 ALA 13 3HB ALA 13 -5.282 -4.080 6.587 99 HB2 ALA 13 1HB ALA 13 -5.661 -4.069 8.301 100 HB3 ALA 13 2HB ALA 13 -6.897 -4.518 7.139 101 H ALA 14 H ALA 14 -4.530 -5.387 9.781 102 HA ALA 14 HA ALA 14 -1.942 -4.679 9.452 103 HB1 ALA 14 3HB ALA 14 -3.044 -4.527 11.561 104 HB2 ALA 14 1HB ALA 14 -1.532 -5.414 11.764 105 HB3 ALA 14 2HB ALA 14 -3.066 -6.284 11.732 106 H ARG 15 H ARG 15 -3.056 -7.992 9.171 107 HA ARG 15 HA ARG 15 -0.399 -9.100 9.408 108 HE ARG 15 HE ARG 15 0.988 -13.468 8.375 109 HB2 ARG 15 2HB ARG 15 -2.695 -10.244 9.890 110 HB3 ARG 15 1HB ARG 15 -2.713 -10.551 8.163 111 HG2 ARG 15 2HG ARG 15 -1.070 -11.759 10.288 112 HG3 ARG 15 1HG ARG 15 -1.765 -12.473 8.838 113 HD2 ARG 15 2HD ARG 15 -0.003 -11.581 7.471 114 HD3 ARG 15 1HD ARG 15 0.620 -10.628 8.815 115 HH11 ARG 15 1HH1 ARG 15 1.262 -10.793 10.605 116 HH12 ARG 15 2HH1 ARG 15 2.428 -11.589 11.606 117 HH21 ARG 15 1HH2 ARG 15 2.518 -14.512 9.694 118 HH22 ARG 15 2HH2 ARG 15 3.141 -13.699 11.091 119 H TYR 16 H TYR 16 -2.596 -8.290 6.765 120 HA TYR 16 HA TYR 16 -0.947 -9.416 4.743 121 HD1 TYR 16 1HD TYR 16 -2.572 -10.809 4.963 122 HD2 TYR 16 2HD TYR 16 -5.174 -7.725 3.585 123 HE1 TYR 16 1HE TYR 16 -4.466 -12.346 5.100 124 HE2 TYR 16 2HE TYR 16 -7.074 -9.268 3.731 125 HH TYR 16 HH TYR 16 -7.351 -11.857 3.635 126 HB2 TYR 16 2HB TYR 16 -2.957 -7.170 4.471 127 HB3 TYR 16 1HB TYR 16 -2.259 -8.090 3.148 128 H VAL 17 H VAL 17 -0.772 -6.482 6.571 129 HA VAL 17 HA VAL 17 1.006 -5.165 4.716 130 HB VAL 17 HB VAL 17 0.008 -4.485 7.455 131 HG11 VAL 17 1HG1 VAL 17 1.657 -2.383 6.860 132 HG12 VAL 17 2HG1 VAL 17 2.662 -3.762 6.437 133 HG13 VAL 17 3HG1 VAL 17 1.997 -3.614 8.067 134 HG21 VAL 17 3HG2 VAL 17 0.257 -2.857 4.952 135 HG22 VAL 17 1HG2 VAL 17 -0.649 -2.447 6.406 136 HG23 VAL 17 2HG2 VAL 17 -1.169 -3.798 5.392 137 H ASN 18 H ASN 18 1.311 -6.884 7.814 138 HA ASN 18 HA ASN 18 4.130 -6.616 7.937 139 HB2 ASN 18 2HB ASN 18 2.490 -8.775 9.263 140 HB3 ASN 18 1HB ASN 18 4.047 -8.137 9.782 141 HD21 ASN 18 1HD2 ASN 18 3.425 -5.386 9.340 142 HD22 ASN 18 2HD2 ASN 18 2.295 -4.915 10.558 143 H ARG 19 H ARG 19 2.015 -8.883 6.332 144 HA ARG 19 HA ARG 19 4.028 -10.881 5.956 145 HE ARG 19 HE ARG 19 1.495 -15.462 5.555 146 HB2 ARG 19 2HB ARG 19 1.353 -10.960 5.891 147 HB3 ARG 19 1HB ARG 19 1.663 -10.779 4.169 148 HG2 ARG 19 2HG ARG 19 2.142 -12.923 4.007 149 HG3 ARG 19 1HG ARG 19 3.421 -12.751 5.206 150 HD2 ARG 19 2HD ARG 19 2.189 -13.679 6.822 151 HD3 ARG 19 1HD ARG 19 0.738 -12.801 6.344 152 HH11 ARG 19 1HH1 ARG 19 -0.429 -12.664 4.748 153 HH12 ARG 19 2HH1 ARG 19 -1.561 -13.562 3.795 154 HH21 ARG 19 1HH2 ARG 19 0.007 -16.645 4.300 155 HH22 ARG 19 2HH2 ARG 19 -1.314 -15.822 3.540 156 H LEU 20 H LEU 20 3.250 -7.951 4.346 157 HA LEU 20 HA LEU 20 4.127 -8.672 1.741 158 HG LEU 20 HG LEU 20 1.735 -6.730 2.945 159 HB2 LEU 20 2HB LEU 20 3.949 -5.961 3.043 160 HB3 LEU 20 1HB LEU 20 4.219 -6.235 1.334 161 HD11 LEU 20 1HD1 LEU 20 2.278 -4.498 1.863 162 HD12 LEU 20 2HD1 LEU 20 0.720 -5.212 1.445 163 HD13 LEU 20 3HD1 LEU 20 2.070 -5.314 0.314 164 HD21 LEU 20 3HD2 LEU 20 2.425 -7.862 0.231 165 HD22 LEU 20 1HD2 LEU 20 0.769 -7.668 0.800 166 HD23 LEU 20 2HD2 LEU 20 1.876 -8.731 1.665 167 H CYS 21 H CYS 21 5.749 -6.977 4.431 168 HA CYS 21 HA CYS 21 8.136 -6.445 3.093 169 HG CYS 21 HG CYS 21 6.501 -4.853 4.887 170 HB2 CYS 21 2HB CYS 21 8.012 -7.166 6.025 171 HB3 CYS 21 1HB CYS 21 9.143 -6.087 5.224 172 H LYS 22 H LYS 22 6.960 -9.376 4.569 173 HA LYS 22 HA LYS 22 9.488 -10.753 4.245 174 HB2 LYS 22 2HB LYS 22 6.778 -11.859 4.984 175 HB3 LYS 22 1HB LYS 22 8.320 -12.690 5.137 176 HG2 LYS 22 2HG LYS 22 8.752 -11.741 7.105 177 HG3 LYS 22 1HG LYS 22 8.298 -10.137 6.528 178 HD2 LYS 22 2HD LYS 22 6.785 -10.672 8.273 179 HD3 LYS 22 1HD LYS 22 5.890 -10.866 6.763 180 HE2 LYS 22 2HE LYS 22 5.329 -12.747 8.035 181 HE3 LYS 22 1HE LYS 22 6.538 -13.322 6.887 182 HZ1 LYS 22 3HZ LYS 22 7.443 -14.180 8.744 183 HZ2 LYS 22 1HZ LYS 22 6.698 -13.065 9.777 184 HZ3 LYS 22 2HZ LYS 22 8.092 -12.629 8.925 185 H HIS 23 H HIS 23 6.650 -10.146 2.410 186 HA HIS 23 HA HIS 23 6.935 -12.431 0.677 187 HD1 HIS 23 1HD HIS 23 3.784 -13.463 0.422 188 HD2 HIS 23 2HD HIS 23 5.241 -10.939 -2.540 189 HE1 HIS 23 1HE HIS 23 3.035 -14.478 -1.754 190 HE2 HIS 23 2HE HIS 23 4.009 -12.985 -3.534 191 HB2 HIS 23 2HB HIS 23 4.732 -11.314 1.341 192 HB3 HIS 23 1HB HIS 23 5.158 -10.052 0.189 193 H TRP 24 H TRP 24 6.962 -8.882 0.076 194 HA TRP 24 HA TRP 24 8.369 -9.385 -2.425 195 HD1 TRP 24 HD TRP 24 4.760 -6.623 -1.634 196 HE1 TRP 24 1HE TRP 24 3.057 -7.687 -3.244 197 HE3 TRP 24 3HE TRP 24 7.942 -9.543 -4.371 198 HZ2 TRP 24 2HZ TRP 24 3.061 -9.522 -5.390 199 HZ3 TRP 24 3HZ TRP 24 7.012 -10.923 -6.184 200 HH2 TRP 24 HH TRP 24 4.622 -10.911 -6.681 201 HB2 TRP 24 2HB TRP 24 7.262 -6.858 -1.198 202 HB3 TRP 24 1HB TRP 24 8.093 -6.920 -2.750 203 H GLY 25 H GLY 25 9.249 -8.730 0.803 204 HA2 GLY 25 2HA GLY 25 11.501 -7.054 0.327 205 HA3 GLY 25 1HA GLY 25 11.210 -8.008 1.767 206 H HIS 26 H HIS 26 12.006 -8.602 -1.656 207 HA HIS 26 HA HIS 26 13.922 -10.636 -0.738 208 HD1 HIS 26 1HD HIS 26 12.060 -13.355 -3.804 209 HD2 HIS 26 2HD HIS 26 15.070 -12.415 -1.098 210 HE1 HIS 26 1HE HIS 26 13.194 -15.537 -3.276 211 HE2 HIS 26 2HE HIS 26 14.954 -14.956 -1.569 212 HB2 HIS 26 2HB HIS 26 11.861 -10.964 -2.499 213 HB3 HIS 26 1HB HIS 26 13.195 -10.614 -3.593 214 H LYS 27 H LYS 27 13.509 -7.698 -2.550 215 HA LYS 27 HA LYS 27 16.407 -7.437 -2.740 216 HB2 LYS 27 2HB LYS 27 15.931 -8.560 -4.822 217 HB3 LYS 27 1HB LYS 27 14.600 -7.469 -5.168 218 HG2 LYS 27 2HG LYS 27 17.154 -6.090 -4.825 219 HG3 LYS 27 1HG LYS 27 17.151 -7.260 -6.145 220 HD2 LYS 27 2HD LYS 27 14.855 -5.376 -5.876 221 HD3 LYS 27 1HD LYS 27 16.379 -4.780 -6.536 222 HE2 LYS 27 2HE LYS 27 15.759 -7.281 -7.761 223 HE3 LYS 27 1HE LYS 27 14.342 -6.236 -7.855 224 HZ1 LYS 27 3HZ LYS 27 16.085 -6.104 -9.707 225 HZ2 LYS 27 1HZ LYS 27 17.012 -5.224 -8.598 226 HZ3 LYS 27 2HZ LYS 27 15.492 -4.654 -9.070 227 H PHE 28 H PHE 28 13.958 -6.127 -1.470 228 HA PHE 28 HA PHE 28 14.732 -3.413 -2.185 229 HD1 PHE 28 1HD PHE 28 13.394 -1.350 -3.502 230 HD2 PHE 28 2HD PHE 28 12.218 -5.300 -4.559 231 HE1 PHE 28 1HE PHE 28 13.678 -0.794 -5.882 232 HE2 PHE 28 2HE PHE 28 12.492 -4.750 -6.942 233 HZ PHE 28 HZ PHE 28 13.227 -2.494 -7.606 234 HB2 PHE 28 2HB PHE 28 11.971 -4.550 -2.343 235 HB3 PHE 28 1HB PHE 28 12.192 -2.852 -1.923 236 H GLU 29 H GLU 29 13.893 -1.802 -0.607 237 HA GLU 29 HA GLU 29 14.407 -2.851 2.055 238 HB2 GLU 29 2HB GLU 29 14.160 -0.363 2.669 239 HB3 GLU 29 1HB GLU 29 15.538 -0.844 1.689 240 HG2 GLU 29 2HG GLU 29 13.138 -0.056 0.193 241 HG3 GLU 29 1HG GLU 29 13.919 1.221 1.124 242 H VAL 30 H VAL 30 12.754 -3.814 3.039 243 HA VAL 30 HA VAL 30 10.152 -2.442 3.006 244 HB VAL 30 HB VAL 30 9.424 -4.930 3.726 245 HG11 VAL 30 1HG1 VAL 30 8.985 -5.304 1.215 246 HG12 VAL 30 2HG1 VAL 30 9.661 -3.689 1.020 247 HG13 VAL 30 3HG1 VAL 30 8.227 -3.932 2.021 248 HG21 VAL 30 3HG2 VAL 30 11.528 -5.490 1.661 249 HG22 VAL 30 1HG2 VAL 30 10.588 -6.630 2.629 250 HG23 VAL 30 2HG2 VAL 30 11.845 -5.653 3.390 251 H GLU 31 H GLU 31 9.732 -1.494 4.888 252 HA GLU 31 HA GLU 31 10.906 -2.554 7.340 253 HB2 GLU 31 2HB GLU 31 10.234 0.051 6.389 254 HB3 GLU 31 1HB GLU 31 9.278 -0.260 7.831 255 HG2 GLU 31 2HG GLU 31 11.108 -0.368 9.194 256 HG3 GLU 31 1HG GLU 31 12.183 -0.881 7.894 257 H LEU 32 H LEU 32 9.721 -3.386 9.012 258 HA LEU 32 HA LEU 32 6.816 -3.658 8.546 259 HG LEU 32 HG LEU 32 5.955 -6.327 8.487 260 HB2 LEU 32 2HB LEU 32 8.205 -5.756 8.211 261 HB3 LEU 32 1HB LEU 32 8.515 -5.736 9.936 262 HD11 LEU 32 1HD1 LEU 32 6.312 -8.395 9.217 263 HD12 LEU 32 2HD1 LEU 32 6.601 -7.840 10.865 264 HD13 LEU 32 3HD1 LEU 32 7.923 -7.862 9.699 265 HD21 LEU 32 3HD2 LEU 32 5.190 -4.721 10.068 266 HD22 LEU 32 1HD2 LEU 32 6.227 -5.376 11.335 267 HD23 LEU 32 2HD2 LEU 32 4.849 -6.307 10.755 268 H THR 33 H THR 33 5.830 -2.380 9.919 269 HA THR 33 HA THR 33 6.597 -2.537 12.781 270 HB THR 33 HB THR 33 5.537 -0.114 12.764 271 HG1 THR 33 1HG THR 33 5.372 0.783 10.885 272 HG21 THR 33 3HG2 THR 33 8.302 -0.388 11.635 273 HG22 THR 33 1HG2 THR 33 7.915 -0.717 13.323 274 HG23 THR 33 2HG2 THR 33 7.658 0.896 12.658 275 HA PRO 34 HA PRO 34 2.328 -3.490 13.345 276 HB2 PRO 34 2HB PRO 34 1.741 -2.430 15.745 277 HB3 PRO 34 1HB PRO 34 2.834 -3.801 15.552 278 HG2 PRO 34 2HG PRO 34 3.475 -0.924 16.015 279 HG3 PRO 34 1HG PRO 34 4.250 -2.368 16.689 280 HD2 PRO 34 2HD PRO 34 5.238 -0.907 14.568 281 HD3 PRO 34 1HD PRO 34 5.626 -2.610 14.881 282 H GLU 35 H GLU 35 2.605 -1.360 11.634 283 HA GLU 35 HA GLU 35 0.131 0.044 12.077 284 HB2 GLU 35 2HB GLU 35 2.744 1.547 11.822 285 HB3 GLU 35 1HB GLU 35 1.152 2.284 11.709 286 HG2 GLU 35 2HG GLU 35 2.161 0.808 14.128 287 HG3 GLU 35 1HG GLU 35 2.279 2.550 13.906 288 H ARG 36 H ARG 36 2.978 -0.476 9.994 289 HA ARG 36 HA ARG 36 1.347 -0.836 7.722 290 HE ARG 36 HE ARG 36 3.404 4.880 9.496 291 HB2 ARG 36 2HB ARG 36 2.180 1.116 6.413 292 HB3 ARG 36 1HB ARG 36 1.107 1.553 7.732 293 HG2 ARG 36 2HG ARG 36 3.962 1.514 8.413 294 HG3 ARG 36 1HG ARG 36 3.485 2.737 7.233 295 HD2 ARG 36 2HD ARG 36 1.545 2.775 9.272 296 HD3 ARG 36 1HD ARG 36 3.111 2.705 10.073 297 HH11 ARG 36 1HH1 ARG 36 1.197 3.458 7.196 298 HH12 ARG 36 2HH1 ARG 36 0.949 4.937 6.331 299 HH21 ARG 36 1HH2 ARG 36 3.077 6.825 8.360 300 HH22 ARG 36 2HH2 ARG 36 2.016 6.848 6.991 301 H GLY 37 H GLY 37 2.605 -0.901 5.679 302 HA2 GLY 37 2HA GLY 37 5.256 -2.098 6.195 303 HA3 GLY 37 1HA GLY 37 4.194 -2.544 4.866 304 H PHE 38 H PHE 38 6.932 -0.751 5.565 305 HA PHE 38 HA PHE 38 6.401 1.285 3.519 306 HD1 PHE 38 1HD PHE 38 7.120 3.889 3.815 307 HD2 PHE 38 2HD PHE 38 10.646 1.614 4.585 308 HE1 PHE 38 1HE PHE 38 8.491 5.653 2.797 309 HE2 PHE 38 2HE PHE 38 12.009 3.368 3.541 310 HZ PHE 38 HZ PHE 38 10.932 5.392 2.642 311 HB2 PHE 38 2HB PHE 38 7.293 2.067 5.644 312 HB3 PHE 38 1HB PHE 38 8.636 0.943 5.533 313 H ILE 39 H ILE 39 7.084 0.985 1.513 314 HA ILE 39 HA ILE 39 9.514 -0.631 1.063 315 HB ILE 39 HB ILE 39 7.276 -0.898 -0.899 316 HG12 ILE 39 2HG1 ILE 39 7.459 -2.334 1.746 317 HG13 ILE 39 1HG1 ILE 39 6.054 -1.589 0.995 318 HG21 ILE 39 1HG2 ILE 39 9.892 -1.966 -0.545 319 HG22 ILE 39 2HG2 ILE 39 8.776 -2.187 -1.889 320 HG23 ILE 39 3HG2 ILE 39 8.730 -3.292 -0.518 321 HD11 ILE 39 3HD1 ILE 39 7.392 -4.068 -0.053 322 HD12 ILE 39 1HD1 ILE 39 5.857 -3.371 -0.575 323 HD13 ILE 39 2HD1 ILE 39 6.008 -4.065 1.039 324 H ASP 40 H ASP 40 10.841 0.997 0.337 325 HA ASP 40 HA ASP 40 9.745 2.828 -1.671 326 HB2 ASP 40 2HB ASP 40 11.984 4.053 -1.228 327 HB3 ASP 40 1HB ASP 40 10.713 4.146 -0.018 328 H PHE 41 H PHE 41 10.454 2.878 -3.681 329 HA PHE 41 HA PHE 41 12.279 0.756 -4.519 330 HD1 PHE 41 1HD PHE 41 11.785 -0.673 -6.979 331 HD2 PHE 41 2HD PHE 41 8.396 1.182 -5.198 332 HE1 PHE 41 1HE PHE 41 10.532 -2.781 -7.178 333 HE2 PHE 41 2HE PHE 41 7.139 -0.922 -5.390 334 HZ PHE 41 HZ PHE 41 8.206 -2.908 -6.382 335 HB2 PHE 41 2HB PHE 41 10.240 2.485 -5.886 336 HB3 PHE 41 1HB PHE 41 11.536 1.799 -6.856 337 H GLY 42 H GLY 42 12.683 3.781 -3.441 338 HA2 GLY 42 2HA GLY 42 14.957 4.663 -3.548 339 HA3 GLY 42 1HA GLY 42 14.941 4.306 -5.268 340 H ASP 43 H ASP 43 13.369 5.525 -6.598 341 HA ASP 43 HA ASP 43 13.250 8.303 -5.685 342 HB2 ASP 43 2HB ASP 43 13.075 6.996 -8.393 343 HB3 ASP 43 1HB ASP 43 12.601 8.675 -8.155 344 H SER 44 H SER 44 11.462 6.773 -4.382 345 HA SER 44 HA SER 44 9.056 8.054 -4.590 346 HG SER 44 HG SER 44 8.685 4.484 -5.727 347 HB2 SER 44 2HB SER 44 7.852 7.110 -6.240 348 HB3 SER 44 1HB SER 44 9.306 6.285 -6.755 349 H ASN 45 H ASN 45 7.176 6.197 -3.713 350 HA ASN 45 HA ASN 45 8.390 4.396 -1.824 351 HB2 ASN 45 2HB ASN 45 7.067 6.944 -0.872 352 HB3 ASN 45 1HB ASN 45 7.326 5.553 0.170 353 HD21 ASN 45 1HD2 ASN 45 8.898 8.057 -1.707 354 HD22 ASN 45 2HD2 ASN 45 10.409 7.997 -0.873 355 H CYS 46 H CYS 46 6.734 3.192 -0.559 356 HA CYS 46 HA CYS 46 3.974 3.594 -1.332 357 HG CYS 46 HG CYS 46 2.427 1.420 -2.638 358 HB2 CYS 46 2HB CYS 46 4.796 2.177 -3.143 359 HB3 CYS 46 1HB CYS 46 5.425 1.020 -1.976 360 H GLU 47 H GLU 47 3.283 3.813 0.709 361 HA GLU 47 HA GLU 47 4.092 1.832 2.710 362 HB2 GLU 47 2HB GLU 47 4.167 4.484 2.913 363 HB3 GLU 47 1HB GLU 47 2.492 4.263 3.395 364 HG2 GLU 47 2HG GLU 47 3.060 3.228 5.365 365 HG3 GLU 47 1HG GLU 47 4.616 2.664 4.754 366 H LEU 48 H LEU 48 2.461 0.876 4.079 367 HA LEU 48 HA LEU 48 -0.275 1.020 3.031 368 HG LEU 48 HG LEU 48 -1.036 -2.151 3.894 369 HB2 LEU 48 2HB LEU 48 0.825 -0.885 1.902 370 HB3 LEU 48 1HB LEU 48 1.209 -1.588 3.460 371 HD11 LEU 48 1HD1 LEU 48 -2.354 -0.330 3.394 372 HD12 LEU 48 2HD1 LEU 48 -2.809 -1.461 2.121 373 HD13 LEU 48 3HD1 LEU 48 -1.683 -0.151 1.772 374 HD21 LEU 48 3HD2 LEU 48 -1.750 -3.312 1.742 375 HD22 LEU 48 1HD2 LEU 48 -0.173 -3.733 2.408 376 HD23 LEU 48 2HD2 LEU 48 -0.285 -2.637 1.031 377 H LEU 49 H LEU 49 -1.473 1.621 4.685 378 HA LEU 49 HA LEU 49 -0.723 0.856 7.410 379 HG LEU 49 HG LEU 49 -1.896 1.839 9.177 380 HB2 LEU 49 2HB LEU 49 -1.599 3.200 6.657 381 HB3 LEU 49 1HB LEU 49 -3.174 2.435 6.720 382 HD11 LEU 49 1HD1 LEU 49 -0.951 3.735 9.964 383 HD12 LEU 49 2HD1 LEU 49 -1.970 4.786 8.981 384 HD13 LEU 49 3HD1 LEU 49 -0.582 3.975 8.256 385 HD21 LEU 49 3HD2 LEU 49 -3.724 3.242 10.080 386 HD22 LEU 49 1HD2 LEU 49 -4.278 2.061 8.894 387 HD23 LEU 49 2HD2 LEU 49 -4.104 3.755 8.437 388 H ALA 50 H ALA 50 -1.732 -0.728 8.552 389 HA ALA 50 HA ALA 50 -4.284 -1.723 7.539 390 HB1 ALA 50 3HB ALA 50 -3.481 -4.014 7.498 391 HB2 ALA 50 1HB ALA 50 -1.857 -3.454 7.880 392 HB3 ALA 50 2HB ALA 50 -2.625 -2.993 6.360 393 H HIS 51 H HIS 51 -5.625 -1.727 9.153 394 HA HIS 51 HA HIS 51 -4.702 -2.579 11.783 395 HD1 HIS 51 1HD HIS 51 -7.707 -0.037 13.869 396 HD2 HIS 51 2HD HIS 51 -3.780 -1.345 13.464 397 HE1 HIS 51 1HE HIS 51 -6.671 0.226 16.144 398 HE2 HIS 51 2HE HIS 51 -4.320 -0.642 15.892 399 HB2 HIS 51 2HB HIS 51 -5.876 -0.177 11.151 400 HB3 HIS 51 1HB HIS 51 -7.271 -1.127 11.638 401 HA PRO 52 HA PRO 52 -7.263 -6.136 11.991 402 HB2 PRO 52 2HB PRO 52 -8.997 -4.708 13.966 403 HB3 PRO 52 1HB PRO 52 -8.298 -6.331 14.043 404 HG2 PRO 52 2HG PRO 52 -7.188 -4.351 15.399 405 HG3 PRO 52 1HG PRO 52 -6.172 -5.533 14.556 406 HD2 PRO 52 2HD PRO 52 -6.818 -2.719 13.809 407 HD3 PRO 52 1HD PRO 52 -5.319 -3.629 13.562 408 H ASP 53 H ASP 53 -8.897 -3.090 11.337 409 HA ASP 53 HA ASP 53 -10.828 -4.619 9.773 410 HB2 ASP 53 2HB ASP 53 -11.696 -3.921 12.128 411 HB3 ASP 53 1HB ASP 53 -11.852 -2.323 11.404 412 H HIS 54 H HIS 54 -8.595 -2.216 9.645 413 HA HIS 54 HA HIS 54 -9.890 -1.215 7.253 414 HD1 HIS 54 1HD HIS 54 -7.239 1.956 8.816 415 HD2 HIS 54 2HD HIS 54 -9.795 0.117 11.526 416 HE1 HIS 54 1HE HIS 54 -6.295 2.475 11.087 417 HE2 HIS 54 2HE HIS 54 -7.951 1.492 12.709 418 HB2 HIS 54 2HB HIS 54 -9.428 1.158 7.778 419 HB3 HIS 54 1HB HIS 54 -10.622 0.429 8.836 420 H VAL 55 H VAL 55 -8.433 -0.067 5.764 421 HA VAL 55 HA VAL 55 -5.594 -0.413 6.336 422 HB VAL 55 HB VAL 55 -6.735 -2.391 5.025 423 HG11 VAL 55 1HG1 VAL 55 -7.541 -0.597 3.291 424 HG12 VAL 55 2HG1 VAL 55 -7.030 -2.200 2.765 425 HG13 VAL 55 3HG1 VAL 55 -5.925 -0.832 2.625 426 HG21 VAL 55 3HG2 VAL 55 -4.628 -2.910 3.989 427 HG22 VAL 55 1HG2 VAL 55 -4.343 -2.164 5.561 428 HG23 VAL 55 2HG2 VAL 55 -4.128 -1.221 4.085 429 H LEU 56 H LEU 56 -4.313 1.103 5.422 430 HA LEU 56 HA LEU 56 -5.588 3.065 3.626 431 HG LEU 56 HG LEU 56 -6.368 4.658 5.564 432 HB2 LEU 56 2HB LEU 56 -4.326 3.445 6.194 433 HB3 LEU 56 1HB LEU 56 -3.422 4.309 4.973 434 HD11 LEU 56 1HD1 LEU 56 -5.834 6.628 6.701 435 HD12 LEU 56 2HD1 LEU 56 -4.178 6.637 6.097 436 HD13 LEU 56 3HD1 LEU 56 -4.674 5.441 7.296 437 HD21 LEU 56 3HD2 LEU 56 -5.802 6.831 4.196 438 HD22 LEU 56 1HD2 LEU 56 -6.245 5.339 3.370 439 HD23 LEU 56 2HD2 LEU 56 -4.549 5.810 3.496 440 H MET 57 H MET 57 -4.329 3.921 1.964 441 HA MET 57 HA MET 57 -1.718 2.637 1.554 442 HB2 MET 57 2HB MET 57 -3.595 3.182 -0.721 443 HB3 MET 57 1HB MET 57 -2.210 2.099 -0.673 444 HG2 MET 57 2HG MET 57 -3.410 0.610 0.848 445 HG3 MET 57 1HG MET 57 -4.797 1.701 0.811 446 HE1 MET 57 3HE MET 57 -6.458 1.748 -0.461 447 HE2 MET 57 1HE MET 57 -6.902 0.076 -0.802 448 HE3 MET 57 2HE MET 57 -6.667 1.213 -2.129 449 H ILE 58 H ILE 58 -0.180 4.189 1.562 450 HA ILE 58 HA ILE 58 -0.799 6.721 0.199 451 HB ILE 58 HB ILE 58 1.014 6.404 2.595 452 HG12 ILE 58 2HG1 ILE 58 -1.849 6.627 2.481 453 HG13 ILE 58 1HG1 ILE 58 -0.816 6.492 3.889 454 HG21 ILE 58 1HG2 ILE 58 1.639 8.196 1.057 455 HG22 ILE 58 2HG2 ILE 58 1.075 8.832 2.602 456 HG23 ILE 58 3HG2 ILE 58 0.015 8.875 1.192 457 HD11 ILE 58 3HD1 ILE 58 -2.400 8.519 3.648 458 HD12 ILE 58 1HD1 ILE 58 -1.162 9.142 2.556 459 HD13 ILE 58 2HD1 ILE 58 -0.755 8.768 4.231 460 H LEU 59 H LEU 59 0.702 7.466 -1.226 461 HA LEU 59 HA LEU 59 3.226 5.957 -1.424 462 HG LEU 59 HG LEU 59 1.407 6.909 -5.168 463 HB2 LEU 59 2HB LEU 59 3.105 5.863 -3.743 464 HB3 LEU 59 1HB LEU 59 1.473 5.498 -3.230 465 HD11 LEU 59 1HD1 LEU 59 -0.329 7.230 -3.513 466 HD12 LEU 59 2HD1 LEU 59 0.057 8.748 -4.326 467 HD13 LEU 59 3HD1 LEU 59 0.660 8.442 -2.700 468 HD21 LEU 59 3HD2 LEU 59 3.699 8.070 -4.284 469 HD22 LEU 59 1HD2 LEU 59 2.508 9.318 -3.933 470 HD23 LEU 59 2HD2 LEU 59 2.677 8.704 -5.570 471 H ASN 60 H ASN 60 5.070 7.097 -1.920 472 HA ASN 60 HA ASN 60 4.785 10.027 -2.082 473 HB2 ASN 60 2HB ASN 60 7.282 8.833 -0.948 474 HB3 ASN 60 1HB ASN 60 6.534 10.387 -0.607 475 HD21 ASN 60 1HD2 ASN 60 7.523 8.538 1.305 476 HD22 ASN 60 2HD2 ASN 60 6.188 8.034 2.280 477 H SER 61 H SER 61 5.068 10.370 -4.207 478 HA SER 61 HA SER 61 7.598 9.391 -5.382 479 HG SER 61 HG SER 61 5.798 7.304 -5.182 480 HB2 SER 61 2HB SER 61 5.212 9.275 -7.138 481 HB3 SER 61 1HB SER 61 6.639 8.247 -7.116 482 HA PRO 62 HA PRO 62 7.825 13.539 -6.967 483 HB2 PRO 62 2HB PRO 62 9.839 13.143 -8.712 484 HB3 PRO 62 1HB PRO 62 10.070 13.202 -6.964 485 HG2 PRO 62 2HG PRO 62 9.807 10.796 -8.735 486 HG3 PRO 62 1HG PRO 62 11.009 11.121 -7.469 487 HD2 PRO 62 2HD PRO 62 8.872 9.580 -7.014 488 HD3 PRO 62 1HD PRO 62 9.515 10.659 -5.765 489 H ASP 63 H ASP 63 6.780 10.828 -8.777 490 HA ASP 63 HA ASP 63 5.812 12.664 -10.838 491 HB2 ASP 63 2HB ASP 63 6.426 11.071 -12.635 492 HB3 ASP 63 1HB ASP 63 7.834 11.722 -11.802 493 H GLU 64 H GLU 64 3.812 12.021 -11.796 494 HA GLU 64 HA GLU 64 2.159 10.409 -10.141 495 HB2 GLU 64 2HB GLU 64 1.757 11.627 -12.846 496 HB3 GLU 64 1HB GLU 64 0.695 10.315 -12.365 497 HG2 GLU 64 2HG GLU 64 -0.495 12.059 -11.555 498 HG3 GLU 64 1HG GLU 64 0.507 11.708 -10.142 499 H ASP 65 H ASP 65 3.852 9.553 -13.192 500 HA ASP 65 HA ASP 65 2.840 7.032 -13.628 501 HB2 ASP 65 2HB ASP 65 4.644 8.226 -14.953 502 HB3 ASP 65 1HB ASP 65 5.786 7.693 -13.721 503 H SER 66 H SER 66 5.589 7.908 -11.567 504 HA SER 66 HA SER 66 5.935 5.389 -10.342 505 HG SER 66 HG SER 66 8.071 5.869 -8.641 506 HB2 SER 66 2HB SER 66 7.621 7.217 -10.237 507 HB3 SER 66 1HB SER 66 6.530 8.126 -9.188 508 H LEU 67 H LEU 67 4.421 8.326 -9.196 509 HA LEU 67 HA LEU 67 3.293 7.695 -6.840 510 HG LEU 67 HG LEU 67 1.041 9.384 -6.426 511 HB2 LEU 67 2HB LEU 67 3.102 9.880 -7.698 512 HB3 LEU 67 1HB LEU 67 2.306 9.336 -9.144 513 HD11 LEU 67 1HD1 LEU 67 0.914 11.568 -6.737 514 HD12 LEU 67 2HD1 LEU 67 -0.256 11.202 -8.005 515 HD13 LEU 67 3HD1 LEU 67 1.442 11.439 -8.414 516 HD21 LEU 67 3HD2 LEU 67 0.077 8.572 -9.121 517 HD22 LEU 67 1HD2 LEU 67 -1.046 9.322 -7.989 518 HD23 LEU 67 2HD2 LEU 67 -0.225 7.826 -7.551 519 H ALA 68 H ALA 68 1.497 7.246 -9.909 520 HA ALA 68 HA ALA 68 -0.599 5.804 -8.670 521 HB1 ALA 68 3HB ALA 68 -1.192 6.730 -10.715 522 HB2 ALA 68 1HB ALA 68 -0.994 5.025 -11.120 523 HB3 ALA 68 2HB ALA 68 0.281 6.178 -11.513 524 H HIS 69 H HIS 69 2.435 4.839 -10.173 525 HA HIS 69 HA HIS 69 2.034 2.102 -10.419 526 HD1 HIS 69 1HD HIS 69 6.575 2.117 -11.170 527 HD2 HIS 69 2HD HIS 69 3.122 0.015 -10.210 528 HE1 HIS 69 1HE HIS 69 7.125 -0.303 -11.579 529 HE2 HIS 69 2HE HIS 69 5.049 -1.562 -10.907 530 HB2 HIS 69 2HB HIS 69 4.066 3.470 -11.140 531 HB3 HIS 69 1HB HIS 69 4.630 3.321 -9.479 532 H MET 70 H MET 70 2.905 4.041 -7.626 533 HA MET 70 HA MET 70 3.240 1.778 -5.878 534 HB2 MET 70 2HB MET 70 2.898 4.676 -5.118 535 HB3 MET 70 1HB MET 70 3.638 3.415 -4.146 536 HG2 MET 70 2HG MET 70 4.706 4.580 -6.696 537 HG3 MET 70 1HG MET 70 5.333 4.825 -5.068 538 HE1 MET 70 3HE MET 70 7.699 2.556 -7.488 539 HE2 MET 70 1HE MET 70 6.944 4.150 -7.484 540 HE3 MET 70 2HE MET 70 6.146 2.798 -8.288 541 H GLN 71 H GLN 71 0.820 4.452 -5.933 542 HA GLN 71 HA GLN 71 -0.840 3.365 -3.996 543 HB2 GLN 71 2HB GLN 71 -2.702 4.688 -5.272 544 HB3 GLN 71 1HB GLN 71 -1.446 5.535 -4.392 545 HG2 GLN 71 2HG GLN 71 -0.782 6.566 -6.233 546 HG3 GLN 71 1HG GLN 71 -0.690 5.056 -7.134 547 HE21 GLN 71 1HE2 GLN 71 -2.301 4.519 -8.514 548 HE22 GLN 71 2HE2 GLN 71 -3.669 5.522 -8.839 549 H ASN 72 H ASN 72 -0.570 2.511 -7.363 550 HA ASN 72 HA ASN 72 -3.065 1.056 -7.378 551 HB2 ASN 72 2HB ASN 72 -1.772 2.183 -9.385 552 HB3 ASN 72 1HB ASN 72 -0.968 0.618 -9.458 553 HD21 ASN 72 1HD2 ASN 72 -2.954 2.065 -11.207 554 HD22 ASN 72 2HD2 ASN 72 -4.199 0.900 -11.484 555 H VAL 73 H VAL 73 0.392 0.226 -7.357 556 HA VAL 73 HA VAL 73 0.322 -2.493 -7.523 557 HB VAL 73 HB VAL 73 2.090 -0.632 -5.984 558 HG11 VAL 73 1HG1 VAL 73 2.241 -3.640 -5.857 559 HG12 VAL 73 2HG1 VAL 73 2.035 -2.521 -4.509 560 HG13 VAL 73 3HG1 VAL 73 3.556 -2.556 -5.401 561 HG21 VAL 73 3HG2 VAL 73 3.525 -0.902 -7.704 562 HG22 VAL 73 1HG2 VAL 73 2.062 -1.381 -8.564 563 HG23 VAL 73 2HG2 VAL 73 3.138 -2.611 -7.901 564 H VAL 74 H VAL 74 -0.384 -0.530 -4.669 565 HA VAL 74 HA VAL 74 -0.717 -2.757 -2.914 566 HB VAL 74 HB VAL 74 -1.730 0.073 -2.637 567 HG11 VAL 74 1HG1 VAL 74 -2.142 -0.370 -0.333 568 HG12 VAL 74 2HG1 VAL 74 -1.424 -1.975 -0.448 569 HG13 VAL 74 3HG1 VAL 74 -2.953 -1.633 -1.256 570 HG21 VAL 74 3HG2 VAL 74 0.306 -0.385 -0.797 571 HG22 VAL 74 1HG2 VAL 74 0.412 0.577 -2.269 572 HG23 VAL 74 2HG2 VAL 74 0.882 -1.123 -2.290 573 H ALA 75 H ALA 75 -3.029 -0.673 -4.691 574 HA ALA 75 HA ALA 75 -5.417 -1.680 -3.789 575 HB1 ALA 75 3HB ALA 75 -5.395 0.152 -5.339 576 HB2 ALA 75 1HB ALA 75 -6.324 -1.164 -6.056 577 HB3 ALA 75 2HB ALA 75 -4.674 -0.856 -6.596 578 H ASP 76 H ASP 76 -3.035 -3.170 -5.804 579 HA ASP 76 HA ASP 76 -4.716 -5.312 -6.729 580 HB2 ASP 76 2HB ASP 76 -2.364 -4.303 -7.610 581 HB3 ASP 76 1HB ASP 76 -1.780 -5.695 -6.704 582 H HIS 77 H HIS 77 -2.296 -4.901 -4.170 583 HA HIS 77 HA HIS 77 -2.174 -7.568 -3.332 584 HD1 HIS 77 1HD HIS 77 -0.610 -6.375 -4.688 585 HD2 HIS 77 2HD HIS 77 1.102 -4.679 -1.303 586 HE1 HIS 77 1HE HIS 77 1.658 -5.568 -5.414 587 HE2 HIS 77 2HE HIS 77 2.707 -4.619 -3.329 588 HB2 HIS 77 2HB HIS 77 -1.853 -5.134 -1.566 589 HB3 HIS 77 1HB HIS 77 -1.214 -6.741 -1.272 590 H LEU 78 H LEU 78 -4.379 -4.960 -2.339 591 HA LEU 78 HA LEU 78 -5.683 -6.404 -0.302 592 HG LEU 78 HG LEU 78 -4.972 -3.199 -0.580 593 HB2 LEU 78 2HB LEU 78 -6.588 -4.101 -2.031 594 HB3 LEU 78 1HB LEU 78 -7.549 -4.742 -0.715 595 HD11 LEU 78 1HD1 LEU 78 -7.539 -2.891 0.956 596 HD12 LEU 78 2HD1 LEU 78 -7.208 -2.075 -0.572 597 HD13 LEU 78 3HD1 LEU 78 -6.201 -1.749 0.838 598 HD21 LEU 78 3HD2 LEU 78 -4.447 -4.937 0.903 599 HD22 LEU 78 1HD2 LEU 78 -6.112 -5.079 1.468 600 HD23 LEU 78 2HD2 LEU 78 -5.138 -3.684 1.933 601 H GLN 79 H GLN 79 -5.950 -6.404 -3.761 602 HA GLN 79 HA GLN 79 -8.526 -7.622 -3.895 603 HB2 GLN 79 2HB GLN 79 -7.837 -6.391 -5.798 604 HB3 GLN 79 1HB GLN 79 -6.310 -7.251 -5.901 605 HG2 GLN 79 2HG GLN 79 -7.401 -9.238 -6.652 606 HG3 GLN 79 1HG GLN 79 -8.989 -8.537 -6.350 607 HE21 GLN 79 1HE2 GLN 79 -8.897 -6.120 -7.448 608 HE22 GLN 79 2HE2 GLN 79 -8.576 -6.207 -9.144 609 H ARG 80 H ARG 80 -5.212 -8.901 -4.091 610 HA ARG 80 HA ARG 80 -5.889 -11.553 -4.696 611 HE ARG 80 HE ARG 80 -0.523 -10.227 -6.455 612 HB2 ARG 80 2HB ARG 80 -3.535 -10.628 -3.040 613 HB3 ARG 80 1HB ARG 80 -3.667 -12.138 -3.932 614 HG2 ARG 80 2HG ARG 80 -4.102 -10.306 -5.886 615 HG3 ARG 80 1HG ARG 80 -2.948 -9.460 -4.855 616 HD2 ARG 80 2HD ARG 80 -1.549 -11.570 -4.929 617 HD3 ARG 80 1HD ARG 80 -2.626 -12.130 -6.207 618 HH11 ARG 80 1HH1 ARG 80 -3.680 -11.067 -7.683 619 HH12 ARG 80 2HH1 ARG 80 -3.423 -10.304 -9.217 620 HH21 ARG 80 1HH2 ARG 80 -0.184 -9.223 -8.471 621 HH22 ARG 80 2HH2 ARG 80 -1.439 -9.258 -9.664 622 H MET 81 H MET 81 -5.655 -9.814 -1.679 623 HA MET 81 HA MET 81 -6.111 -12.174 -0.079 624 HB2 MET 81 2HB MET 81 -6.117 -10.648 1.832 625 HB3 MET 81 1HB MET 81 -4.720 -10.409 0.803 626 HG2 MET 81 2HG MET 81 -5.410 -8.268 1.428 627 HG3 MET 81 1HG MET 81 -5.961 -8.468 -0.231 628 HE1 MET 81 3HE MET 81 -6.409 -6.780 2.396 629 HE2 MET 81 1HE MET 81 -7.812 -7.210 3.373 630 HE3 MET 81 2HE MET 81 -7.996 -6.126 1.994 631 H ALA 82 H ALA 82 -8.105 -10.048 -1.792 632 HA ALA 82 HA ALA 82 -10.454 -11.072 -0.335 633 HB1 ALA 82 3HB ALA 82 -9.804 -8.235 -1.010 634 HB2 ALA 82 1HB ALA 82 -10.494 -8.912 0.466 635 HB3 ALA 82 2HB ALA 82 -11.488 -8.759 -0.983 636 H ASN 83 H ASN 83 -10.807 -12.614 -1.939 637 HA ASN 83 HA ASN 83 -11.074 -11.796 -4.703 638 HB2 ASN 83 2HB ASN 83 -11.741 -14.487 -3.503 639 HB3 ASN 83 1HB ASN 83 -11.410 -14.120 -5.193 640 HD21 ASN 83 1HD2 ASN 83 -9.243 -13.396 -5.727 641 HD22 ASN 83 2HD2 ASN 83 -7.908 -13.988 -4.804 642 H SER 84 H SER 84 -12.863 -10.899 -5.452 643 HA SER 84 HA SER 84 -15.396 -11.982 -5.377 644 HG SER 84 HG SER 84 -14.856 -8.932 -3.276 645 HB2 SER 84 2HB SER 84 -16.507 -10.279 -3.799 646 HB3 SER 84 1HB SER 84 -15.651 -11.629 -3.056 647 H GLU 85 H GLU 85 -13.503 -9.029 -5.368 648 HA GLU 85 HA GLU 85 -14.653 -8.187 -7.857 649 HB2 GLU 85 2HB GLU 85 -15.595 -6.094 -7.116 650 HB3 GLU 85 1HB GLU 85 -16.350 -7.398 -6.210 651 HG2 GLU 85 2HG GLU 85 -14.026 -6.416 -4.823 652 HG3 GLU 85 1HG GLU 85 -15.137 -5.099 -5.196 653 H SER 86 H SER 86 -13.655 -6.059 -8.574 654 HA SER 86 HA SER 86 -10.841 -6.174 -8.091 655 HG SER 86 HG SER 86 -13.179 -3.672 -9.030 656 HB2 SER 86 2HB SER 86 -10.875 -4.034 -9.528 657 HB3 SER 86 1HB SER 86 -11.441 -5.524 -10.283 658 H LEU 87 H LEU 87 -11.180 -5.915 -5.735 659 HA LEU 87 HA LEU 87 -11.570 -4.623 -3.814 660 HG LEU 87 HG LEU 87 -8.133 -4.718 -2.966 661 HB2 LEU 87 2HB LEU 87 -8.993 -4.366 -5.027 662 HB3 LEU 87 1HB LEU 87 -9.411 -2.837 -4.275 663 HD11 LEU 87 1HD1 LEU 87 -10.251 -2.848 -1.971 664 HD12 LEU 87 2HD1 LEU 87 -8.498 -2.650 -1.949 665 HD13 LEU 87 3HD1 LEU 87 -9.269 -3.805 -0.862 666 HD21 LEU 87 3HD2 LEU 87 -9.498 -6.122 -1.616 667 HD22 LEU 87 1HD2 LEU 87 -9.957 -6.397 -3.293 668 HD23 LEU 87 2HD2 LEU 87 -10.974 -5.402 -2.252 669 H GLU 88 H GLU 88 -13.192 -3.248 -3.495 670 HA GLU 88 HA GLU 88 -13.532 -0.890 -5.095 671 HB2 GLU 88 2HB GLU 88 -14.842 -1.953 -2.600 672 HB3 GLU 88 1HB GLU 88 -15.141 -0.302 -3.119 673 HG2 GLU 88 2HG GLU 88 -15.486 -1.945 -5.383 674 HG3 GLU 88 1HG GLU 88 -16.331 -2.720 -4.043 675 H ILE 89 H ILE 89 -11.763 0.428 -4.963 676 HA ILE 89 HA ILE 89 -11.195 1.529 -2.309 677 HB ILE 89 HB ILE 89 -8.869 1.416 -2.526 678 HG12 ILE 89 2HG1 ILE 89 -8.930 2.169 -5.012 679 HG13 ILE 89 1HG1 ILE 89 -7.605 1.153 -4.474 680 HG21 ILE 89 1HG2 ILE 89 -8.370 -0.947 -3.178 681 HG22 ILE 89 2HG2 ILE 89 -10.054 -1.081 -3.683 682 HG23 ILE 89 3HG2 ILE 89 -9.665 -0.741 -1.999 683 HD11 ILE 89 3HD1 ILE 89 -8.676 -0.796 -5.425 684 HD12 ILE 89 1HD1 ILE 89 -8.463 0.461 -6.644 685 HD13 ILE 89 2HD1 ILE 89 -10.052 0.187 -5.930 686 H ALA 90 H ALA 90 -11.222 3.758 -2.248 687 HA ALA 90 HA ALA 90 -11.454 5.104 -4.837 688 HB1 ALA 90 3HB ALA 90 -12.381 6.964 -3.711 689 HB2 ALA 90 1HB ALA 90 -11.806 6.406 -2.141 690 HB3 ALA 90 2HB ALA 90 -13.114 5.547 -2.961 691 H TRP 91 H TRP 91 -9.614 5.695 -5.710 692 HA TRP 91 HA TRP 91 -7.357 6.435 -4.016 693 HD1 TRP 91 HD TRP 91 -8.869 4.109 -7.378 694 HE1 TRP 91 1HE TRP 91 -9.552 4.852 -9.746 695 HE3 TRP 91 3HE TRP 91 -6.140 8.420 -7.695 696 HZ2 TRP 91 2HZ TRP 91 -9.005 6.983 -11.514 697 HZ3 TRP 91 3HZ TRP 91 -6.275 9.753 -9.759 698 HH2 TRP 91 HH TRP 91 -7.679 9.048 -11.628 699 HB2 TRP 91 2HB TRP 91 -6.061 6.384 -6.142 700 HB3 TRP 91 1HB TRP 91 -6.861 4.858 -5.778 701 H GLN 92 H GLN 92 -6.602 8.444 -3.803 702 HA GLN 92 HA GLN 92 -8.120 10.602 -5.028 703 HB2 GLN 92 2HB GLN 92 -5.975 10.582 -2.900 704 HB3 GLN 92 1HB GLN 92 -6.741 12.046 -3.501 705 HG2 GLN 92 2HG GLN 92 -8.884 11.317 -2.687 706 HG3 GLN 92 1HG GLN 92 -8.208 9.763 -2.203 707 HE21 GLN 92 1HE2 GLN 92 -9.083 10.302 -0.103 708 HE22 GLN 92 2HE2 GLN 92 -8.176 11.315 0.962 709 HA PRO 93 HA PRO 93 -5.452 11.782 -8.314 710 HB2 PRO 93 2HB PRO 93 -5.283 14.420 -6.941 711 HB3 PRO 93 1HB PRO 93 -5.640 14.060 -8.634 712 HG2 PRO 93 2HG PRO 93 -7.592 14.728 -6.945 713 HG3 PRO 93 1HG PRO 93 -7.842 13.490 -8.189 714 HD2 PRO 93 2HD PRO 93 -7.493 13.182 -5.256 715 HD3 PRO 93 1HD PRO 93 -8.395 12.170 -6.401 716 H ALA 94 H ALA 94 -4.501 12.877 -5.079 717 HA ALA 94 HA ALA 94 -2.484 12.352 -4.012 718 HB1 ALA 94 3HB ALA 94 -0.665 11.410 -5.047 719 HB2 ALA 94 1HB ALA 94 -0.937 12.290 -6.549 720 HB3 ALA 94 2HB ALA 94 -1.948 10.904 -6.148 721 H GLU 95 H GLU 95 -3.682 14.873 -5.078 722 HA GLU 95 HA GLU 95 -3.213 17.097 -5.144 723 HB2 GLU 95 2HB GLU 95 -1.864 16.085 -3.004 724 HB3 GLU 95 1HB GLU 95 -0.554 16.844 -3.898 725 HG2 GLU 95 2HG GLU 95 -2.139 18.891 -3.989 726 HG3 GLU 95 1HG GLU 95 -2.962 18.090 -2.651 727 H SER 96 H SER 96 -1.551 18.761 -5.885 728 HA SER 96 HA SER 96 0.076 17.615 -8.060 729 HG SER 96 HG SER 96 0.542 20.100 -9.403 730 HB2 SER 96 2HB SER 96 -1.936 18.818 -8.882 731 HB3 SER 96 1HB SER 96 -1.365 20.278 -8.075 Start of MODEL 2 1 HA MET 1 HA MET 1 7.002 13.223 -5.191 2 HB2 MET 1 2HB MET 1 7.494 12.733 -2.895 3 HB3 MET 1 1HB MET 1 8.895 13.513 -3.621 4 HG2 MET 1 2HG MET 1 8.832 15.198 -2.172 5 HG3 MET 1 1HG MET 1 7.097 15.416 -2.371 6 HE1 MET 1 3HE MET 1 8.936 12.015 -0.797 7 HE2 MET 1 1HE MET 1 9.318 12.885 0.688 8 HE3 MET 1 2HE MET 1 9.909 13.484 -0.861 9 H PHE 2 H PHE 2 4.938 13.331 -5.663 10 HA PHE 2 HA PHE 2 3.115 15.034 -4.158 11 HD1 PHE 2 2HD PHE 2 3.758 16.442 -6.377 12 HD2 PHE 2 1HD PHE 2 2.993 12.687 -8.232 13 HE1 PHE 2 2HE PHE 2 5.097 17.133 -8.320 14 HE2 PHE 2 1HE PHE 2 4.324 13.375 -10.178 15 HZ PHE 2 HZ PHE 2 5.382 15.599 -10.226 16 HB2 PHE 2 2HB PHE 2 2.076 13.113 -6.181 17 HB3 PHE 2 1HB PHE 2 1.634 14.793 -5.905 18 H ARG 3 H ARG 3 0.938 13.853 -3.463 19 HA ARG 3 HA ARG 3 1.493 11.118 -2.653 20 HE ARG 3 HE ARG 3 4.459 10.539 1.586 21 HB2 ARG 3 2HB ARG 3 2.017 13.197 -0.855 22 HB3 ARG 3 1HB ARG 3 0.487 12.505 -0.323 23 HG2 ARG 3 2HG ARG 3 1.713 10.980 0.716 24 HG3 ARG 3 1HG ARG 3 2.006 10.298 -0.872 25 HD2 ARG 3 2HD ARG 3 4.168 10.742 -0.684 26 HD3 ARG 3 1HD ARG 3 3.816 12.456 -0.471 27 HH11 ARG 3 1HH1 ARG 3 3.022 13.640 0.880 28 HH12 ARG 3 2HH1 ARG 3 3.243 14.247 2.486 29 HH21 ARG 3 1HH2 ARG 3 4.749 11.336 3.699 30 HH22 ARG 3 2HH2 ARG 3 4.223 12.941 4.085 31 H SER 4 H SER 4 -0.215 9.883 -2.864 32 HA SER 4 HA SER 4 -2.909 11.072 -2.764 33 HG SER 4 HG SER 4 -4.292 8.743 -4.702 34 HB2 SER 4 2HB SER 4 -2.897 10.276 -4.927 35 HB3 SER 4 1HB SER 4 -1.644 9.076 -4.584 36 H THR 5 H THR 5 -4.612 9.512 -1.973 37 HA THR 5 HA THR 5 -3.534 7.382 -0.315 38 HB THR 5 HB THR 5 -4.537 8.131 1.735 39 HG1 THR 5 1HG THR 5 -5.599 10.220 0.156 40 HG21 THR 5 3HG2 THR 5 -2.326 9.274 0.943 41 HG22 THR 5 1HG2 THR 5 -3.189 9.869 2.360 42 HG23 THR 5 2HG2 THR 5 -3.351 10.705 0.819 43 H SER 6 H SER 6 -4.743 5.632 -0.307 44 HA SER 6 HA SER 6 -7.546 5.882 -1.200 45 HG SER 6 HG SER 6 -7.610 3.356 -3.214 46 HB2 SER 6 2HB SER 6 -5.967 4.571 -2.684 47 HB3 SER 6 1HB SER 6 -5.832 3.397 -1.375 48 H HIS 7 H HIS 7 -9.135 5.223 0.131 49 HA HIS 7 HA HIS 7 -8.351 3.807 2.603 50 HD1 HIS 7 1HD HIS 7 -9.877 6.955 5.035 51 HD2 HIS 7 2HD HIS 7 -10.252 2.855 4.471 52 HE1 HIS 7 1HE HIS 7 -10.135 5.979 7.338 53 HE2 HIS 7 2HE HIS 7 -10.445 3.508 6.965 54 HB2 HIS 7 2HB HIS 7 -9.345 6.219 2.666 55 HB3 HIS 7 1HB HIS 7 -10.878 5.409 2.370 56 H VAL 8 H VAL 8 -9.257 1.871 3.052 57 HA VAL 8 HA VAL 8 -11.733 1.095 1.679 58 HB VAL 8 HB VAL 8 -9.481 -0.881 1.836 59 HG11 VAL 8 1HG1 VAL 8 -10.670 -2.009 0.089 60 HG12 VAL 8 2HG1 VAL 8 -11.776 -0.650 -0.102 61 HG13 VAL 8 3HG1 VAL 8 -11.812 -1.614 1.373 62 HG21 VAL 8 3HG2 VAL 8 -8.701 -0.322 -0.346 63 HG22 VAL 8 1HG2 VAL 8 -8.678 1.155 0.616 64 HG23 VAL 8 2HG2 VAL 8 -9.968 0.886 -0.556 65 H ARG 9 H ARG 9 -12.883 -0.663 2.719 66 HA ARG 9 HA ARG 9 -12.132 -0.907 5.550 67 HE ARG 9 HE ARG 9 -15.491 2.269 6.716 68 HB2 ARG 9 2HB ARG 9 -14.736 -0.944 4.128 69 HB3 ARG 9 1HB ARG 9 -14.581 -2.022 5.505 70 HG2 ARG 9 2HG ARG 9 -15.511 0.011 6.289 71 HG3 ARG 9 1HG ARG 9 -13.843 -0.063 6.862 72 HD2 ARG 9 2HD ARG 9 -13.150 1.629 5.488 73 HD3 ARG 9 1HD ARG 9 -14.379 1.289 4.270 74 HH11 ARG 9 1HH1 ARG 9 -13.966 3.224 3.726 75 HH12 ARG 9 2HH1 ARG 9 -14.672 4.805 3.725 76 HH21 ARG 9 1HH2 ARG 9 -16.422 4.348 6.716 77 HH22 ARG 9 2HH2 ARG 9 -16.066 5.444 5.422 78 H THR 10 H THR 10 -10.830 -2.608 5.847 79 HA THR 10 HA THR 10 -11.691 -5.211 4.782 80 HB THR 10 HB THR 10 -9.398 -3.807 4.000 81 HG1 THR 10 1HG THR 10 -9.891 -5.214 2.538 82 HG21 THR 10 3HG2 THR 10 -8.538 -4.921 6.251 83 HG22 THR 10 1HG2 THR 10 -7.539 -4.785 4.801 84 HG23 THR 10 2HG2 THR 10 -8.357 -6.305 5.166 85 H GLU 11 H GLU 11 -10.953 -7.086 6.032 86 HA GLU 11 HA GLU 11 -10.603 -6.393 8.874 87 HB2 GLU 11 2HB GLU 11 -12.333 -8.205 7.533 88 HB3 GLU 11 1HB GLU 11 -11.239 -9.151 8.533 89 HG2 GLU 11 2HG GLU 11 -12.292 -8.559 10.387 90 HG3 GLU 11 1HG GLU 11 -12.222 -6.851 9.956 91 H SER 12 H SER 12 -9.015 -7.409 10.150 92 HA SER 12 HA SER 12 -6.981 -8.288 10.616 93 HG SER 12 HG SER 12 -6.055 -11.207 8.621 94 HB2 SER 12 2HB SER 12 -7.945 -10.415 10.210 95 HB3 SER 12 1HB SER 12 -7.889 -10.192 8.461 96 H ALA 13 H ALA 13 -7.241 -6.178 8.630 97 HA ALA 13 HA ALA 13 -5.568 -6.366 6.430 98 HB1 ALA 13 3HB ALA 13 -5.798 -3.981 8.202 99 HB2 ALA 13 1HB ALA 13 -7.006 -4.432 7.013 100 HB3 ALA 13 2HB ALA 13 -5.380 -3.991 6.498 101 H ALA 14 H ALA 14 -4.633 -5.388 9.706 102 HA ALA 14 HA ALA 14 -2.065 -4.601 9.382 103 HB1 ALA 14 3HB ALA 14 -1.610 -5.530 11.653 104 HB2 ALA 14 1HB ALA 14 -3.201 -6.289 11.587 105 HB3 ALA 14 2HB ALA 14 -3.057 -4.532 11.512 106 H ARG 15 H ARG 15 -3.086 -7.929 8.961 107 HA ARG 15 HA ARG 15 -0.403 -8.961 9.137 108 HE ARG 15 HE ARG 15 -1.320 -13.210 6.224 109 HB2 ARG 15 2HB ARG 15 -2.612 -10.167 9.686 110 HB3 ARG 15 1HB ARG 15 -2.749 -10.418 7.952 111 HG2 ARG 15 2HG ARG 15 -0.398 -11.274 9.614 112 HG3 ARG 15 1HG ARG 15 -1.754 -12.315 9.195 113 HD2 ARG 15 2HD ARG 15 -0.751 -11.100 6.817 114 HD3 ARG 15 1HD ARG 15 0.597 -11.797 7.703 115 HH11 ARG 15 1HH1 ARG 15 0.333 -13.380 9.295 116 HH12 ARG 15 2HH1 ARG 15 0.196 -15.102 9.414 117 HH21 ARG 15 1HH2 ARG 15 -1.498 -15.474 6.381 118 HH22 ARG 15 2HH2 ARG 15 -0.841 -16.290 7.760 119 H TYR 16 H TYR 16 -2.639 -8.146 6.545 120 HA TYR 16 HA TYR 16 -1.079 -9.260 4.453 121 HD1 TYR 16 1HD TYR 16 -2.694 -10.644 4.703 122 HD2 TYR 16 2HD TYR 16 -5.317 -7.543 3.414 123 HE1 TYR 16 1HE TYR 16 -4.583 -12.184 4.849 124 HE2 TYR 16 2HE TYR 16 -7.213 -9.088 3.570 125 HH TYR 16 HH TYR 16 -6.809 -12.460 3.973 126 HB2 TYR 16 2HB TYR 16 -3.083 -7.001 4.294 127 HB3 TYR 16 1HB TYR 16 -2.425 -7.877 2.923 128 H VAL 17 H VAL 17 -0.770 -6.356 6.283 129 HA VAL 17 HA VAL 17 0.962 -5.085 4.330 130 HB VAL 17 HB VAL 17 0.082 -4.340 7.108 131 HG11 VAL 17 1HG1 VAL 17 2.564 -3.522 5.773 132 HG12 VAL 17 2HG1 VAL 17 2.097 -3.401 7.471 133 HG13 VAL 17 3HG1 VAL 17 1.549 -2.187 6.316 134 HG21 VAL 17 3HG2 VAL 17 -0.040 -2.861 4.491 135 HG22 VAL 17 1HG2 VAL 17 -0.719 -2.329 6.029 136 HG23 VAL 17 2HG2 VAL 17 -1.369 -3.762 5.222 137 H ASN 18 H ASN 18 1.272 -6.707 7.469 138 HA ASN 18 HA ASN 18 4.081 -6.398 7.655 139 HB2 ASN 18 2HB ASN 18 2.354 -8.462 9.028 140 HB3 ASN 18 1HB ASN 18 3.946 -7.909 9.537 141 HD21 ASN 18 1HD2 ASN 18 1.602 -7.868 11.114 142 HD22 ASN 18 2HD2 ASN 18 1.240 -6.218 11.479 143 H ARG 19 H ARG 19 2.059 -8.857 6.153 144 HA ARG 19 HA ARG 19 4.173 -10.767 5.967 145 HE ARG 19 HE ARG 19 2.620 -11.112 7.488 146 HB2 ARG 19 2HB ARG 19 1.471 -10.913 5.792 147 HB3 ARG 19 1HB ARG 19 1.920 -11.011 4.093 148 HG2 ARG 19 2HG ARG 19 1.920 -13.214 4.693 149 HG3 ARG 19 1HG ARG 19 3.612 -12.788 4.925 150 HD2 ARG 19 2HD ARG 19 1.503 -13.364 6.945 151 HD3 ARG 19 1HD ARG 19 3.167 -13.927 6.867 152 HH11 ARG 19 1HH1 ARG 19 3.824 -14.237 8.492 153 HH12 ARG 19 2HH1 ARG 19 4.619 -13.611 9.894 154 HH21 ARG 19 1HH2 ARG 19 3.664 -10.299 9.332 155 HH22 ARG 19 2HH2 ARG 19 4.529 -11.380 10.373 156 H LEU 20 H LEU 20 3.307 -8.023 4.101 157 HA LEU 20 HA LEU 20 4.299 -8.933 1.589 158 HG LEU 20 HG LEU 20 1.804 -7.020 2.623 159 HB2 LEU 20 2HB LEU 20 3.978 -6.114 2.596 160 HB3 LEU 20 1HB LEU 20 4.242 -6.574 0.927 161 HD11 LEU 20 1HD1 LEU 20 0.698 -5.714 0.961 162 HD12 LEU 20 2HD1 LEU 20 2.117 -5.751 -0.086 163 HD13 LEU 20 3HD1 LEU 20 2.165 -4.854 1.431 164 HD21 LEU 20 3HD2 LEU 20 2.434 -8.267 -0.059 165 HD22 LEU 20 1HD2 LEU 20 0.828 -8.205 0.665 166 HD23 LEU 20 2HD2 LEU 20 2.115 -9.109 1.459 167 H CYS 21 H CYS 21 5.738 -6.916 4.151 168 HA CYS 21 HA CYS 21 8.109 -6.265 2.884 169 HG CYS 21 HG CYS 21 7.741 -8.140 6.277 170 HB2 CYS 21 2HB CYS 21 9.092 -6.040 5.141 171 HB3 CYS 21 1HB CYS 21 7.490 -5.314 5.045 172 H LYS 22 H LYS 22 7.305 -9.192 4.674 173 HA LYS 22 HA LYS 22 9.913 -10.348 4.331 174 HB2 LYS 22 2HB LYS 22 7.306 -11.623 5.175 175 HB3 LYS 22 1HB LYS 22 8.893 -12.371 5.290 176 HG2 LYS 22 2HG LYS 22 9.379 -11.313 7.196 177 HG3 LYS 22 1HG LYS 22 8.745 -9.772 6.617 178 HD2 LYS 22 2HD LYS 22 7.395 -10.416 8.460 179 HD3 LYS 22 1HD LYS 22 6.436 -10.705 7.007 180 HE2 LYS 22 2HE LYS 22 6.113 -12.614 8.323 181 HE3 LYS 22 1HE LYS 22 7.301 -13.098 7.114 182 HZ1 LYS 22 3HZ LYS 22 8.911 -13.317 8.655 183 HZ2 LYS 22 1HZ LYS 22 7.607 -13.535 9.710 184 HZ3 LYS 22 2HZ LYS 22 8.363 -12.026 9.600 185 H HIS 23 H HIS 23 7.048 -10.117 2.482 186 HA HIS 23 HA HIS 23 7.545 -12.467 0.880 187 HD1 HIS 23 1HD HIS 23 6.612 -11.772 -2.081 188 HD2 HIS 23 2HD HIS 23 3.629 -13.351 0.344 189 HE1 HIS 23 1HE HIS 23 5.435 -13.486 -3.494 190 HE2 HIS 23 2HE HIS 23 3.578 -14.364 -2.035 191 HB2 HIS 23 2HB HIS 23 5.245 -11.514 1.468 192 HB3 HIS 23 1HB HIS 23 5.568 -10.290 0.245 193 H TRP 24 H TRP 24 7.218 -8.987 0.027 194 HA TRP 24 HA TRP 24 8.621 -9.483 -2.454 195 HD1 TRP 24 HD TRP 24 5.202 -8.467 -0.916 196 HE1 TRP 24 1HE TRP 24 3.345 -8.969 -2.626 197 HE3 TRP 24 3HE TRP 24 7.750 -7.399 -5.218 198 HZ2 TRP 24 2HZ TRP 24 3.006 -8.919 -5.428 199 HZ3 TRP 24 3HZ TRP 24 6.587 -7.653 -7.371 200 HH2 TRP 24 HH TRP 24 4.264 -8.398 -7.472 201 HB2 TRP 24 2HB TRP 24 7.505 -6.951 -1.242 202 HB3 TRP 24 1HB TRP 24 8.246 -7.048 -2.836 203 H GLY 25 H GLY 25 9.581 -8.715 0.727 204 HA2 GLY 25 2HA GLY 25 11.759 -6.983 0.158 205 HA3 GLY 25 1HA GLY 25 11.551 -7.935 1.615 206 H HIS 26 H HIS 26 12.339 -8.418 -1.822 207 HA HIS 26 HA HIS 26 14.290 -10.456 -0.981 208 HD1 HIS 26 1HD HIS 26 13.138 -12.893 -1.105 209 HD2 HIS 26 2HD HIS 26 15.092 -12.269 -4.719 210 HE1 HIS 26 1HE HIS 26 14.332 -15.049 -1.605 211 HE2 HIS 26 2HE HIS 26 15.574 -14.620 -3.755 212 HB2 HIS 26 2HB HIS 26 12.262 -10.815 -2.721 213 HB3 HIS 26 1HB HIS 26 13.509 -10.265 -3.835 214 H LYS 27 H LYS 27 13.817 -7.480 -2.736 215 HA LYS 27 HA LYS 27 16.711 -7.115 -2.849 216 HB2 LYS 27 2HB LYS 27 16.321 -8.203 -4.964 217 HB3 LYS 27 1HB LYS 27 14.955 -7.160 -5.315 218 HG2 LYS 27 2HG LYS 27 17.458 -5.702 -4.893 219 HG3 LYS 27 1HG LYS 27 17.499 -6.827 -6.250 220 HD2 LYS 27 2HD LYS 27 15.139 -5.034 -5.946 221 HD3 LYS 27 1HD LYS 27 16.649 -4.354 -6.556 222 HE2 LYS 27 2HE LYS 27 16.251 -6.775 -7.933 223 HE3 LYS 27 1HE LYS 27 14.692 -5.950 -7.917 224 HZ1 LYS 27 3HZ LYS 27 16.191 -5.401 -9.828 225 HZ2 LYS 27 1HZ LYS 27 17.211 -4.615 -8.728 226 HZ3 LYS 27 2HZ LYS 27 15.627 -4.066 -8.956 227 H PHE 28 H PHE 28 14.167 -5.915 -1.630 228 HA PHE 28 HA PHE 28 14.875 -3.155 -2.242 229 HD1 PHE 28 2HD PHE 28 13.596 -1.298 -3.898 230 HD2 PHE 28 1HD PHE 28 12.305 -5.307 -4.512 231 HE1 PHE 28 2HE PHE 28 13.836 -1.000 -6.329 232 HE2 PHE 28 1HE PHE 28 12.544 -5.016 -6.942 233 HZ PHE 28 HZ PHE 28 13.310 -2.861 -7.855 234 HB2 PHE 28 2HB PHE 28 12.103 -4.313 -2.383 235 HB3 PHE 28 1HB PHE 28 12.386 -2.591 -2.146 236 H GLU 29 H GLU 29 14.084 -1.610 -0.629 237 HA GLU 29 HA GLU 29 14.505 -2.695 2.007 238 HB2 GLU 29 2HB GLU 29 14.390 -0.396 2.784 239 HB3 GLU 29 1HB GLU 29 15.414 -0.494 1.358 240 HG2 GLU 29 2HG GLU 29 13.551 0.317 -0.015 241 HG3 GLU 29 1HG GLU 29 12.564 0.459 1.437 242 H VAL 30 H VAL 30 12.965 -3.573 3.204 243 HA VAL 30 HA VAL 30 10.236 -2.514 2.950 244 HB VAL 30 HB VAL 30 9.665 -5.045 3.603 245 HG11 VAL 30 1HG1 VAL 30 8.553 -4.112 1.784 246 HG12 VAL 30 2HG1 VAL 30 9.441 -5.460 1.080 247 HG13 VAL 30 3HG1 VAL 30 10.050 -3.817 0.897 248 HG21 VAL 30 3HG2 VAL 30 12.226 -5.480 3.393 249 HG22 VAL 30 1HG2 VAL 30 11.885 -5.523 1.660 250 HG23 VAL 30 2HG2 VAL 30 11.074 -6.652 2.753 251 H GLU 31 H GLU 31 9.706 -1.579 4.821 252 HA GLU 31 HA GLU 31 10.819 -2.579 7.326 253 HB2 GLU 31 2HB GLU 31 10.368 -0.034 6.419 254 HB3 GLU 31 1HB GLU 31 8.953 -0.305 7.427 255 HG2 GLU 31 2HG GLU 31 10.336 -0.785 9.331 256 HG3 GLU 31 1HG GLU 31 11.792 -0.697 8.340 257 H LEU 32 H LEU 32 9.398 -2.957 9.181 258 HA LEU 32 HA LEU 32 6.623 -3.586 8.474 259 HG LEU 32 HG LEU 32 5.904 -6.162 8.309 260 HB2 LEU 32 2HB LEU 32 8.214 -5.574 8.260 261 HB3 LEU 32 1HB LEU 32 8.318 -5.536 10.006 262 HD11 LEU 32 1HD1 LEU 32 6.329 -7.973 10.433 263 HD12 LEU 32 2HD1 LEU 32 7.886 -7.706 9.649 264 HD13 LEU 32 3HD1 LEU 32 6.503 -8.255 8.702 265 HD21 LEU 32 3HD2 LEU 32 4.965 -4.799 9.980 266 HD22 LEU 32 1HD2 LEU 32 6.051 -5.424 11.221 267 HD23 LEU 32 2HD2 LEU 32 4.765 -6.445 10.581 268 H THR 33 H THR 33 5.464 -2.393 9.821 269 HA THR 33 HA THR 33 6.113 -2.536 12.711 270 HB THR 33 HB THR 33 4.980 -0.171 12.721 271 HG1 THR 33 1HG THR 33 4.808 0.797 10.871 272 HG21 THR 33 3HG2 THR 33 7.794 -0.646 11.797 273 HG22 THR 33 1HG2 THR 33 7.223 -0.319 13.433 274 HG23 THR 33 2HG2 THR 33 7.165 0.949 12.210 275 HA PRO 34 HA PRO 34 1.903 -3.850 13.024 276 HB2 PRO 34 2HB PRO 34 1.242 -3.010 15.514 277 HB3 PRO 34 1HB PRO 34 2.319 -4.373 15.207 278 HG2 PRO 34 2HG PRO 34 2.987 -1.569 15.975 279 HG3 PRO 34 1HG PRO 34 3.736 -3.084 16.504 280 HD2 PRO 34 2HD PRO 34 4.800 -1.429 14.590 281 HD3 PRO 34 1HD PRO 34 5.120 -3.173 14.680 282 H GLU 35 H GLU 35 2.016 -1.715 11.462 283 HA GLU 35 HA GLU 35 -0.461 -0.378 11.926 284 HB2 GLU 35 2HB GLU 35 2.122 1.193 12.043 285 HB3 GLU 35 1HB GLU 35 0.535 1.924 11.827 286 HG2 GLU 35 2HG GLU 35 -0.092 0.765 14.013 287 HG3 GLU 35 1HG GLU 35 1.640 0.510 14.224 288 H ARG 36 H ARG 36 2.532 -0.639 10.052 289 HA ARG 36 HA ARG 36 1.134 -0.774 7.605 290 HE ARG 36 HE ARG 36 4.523 3.822 7.779 291 HB2 ARG 36 2HB ARG 36 2.267 1.301 6.630 292 HB3 ARG 36 1HB ARG 36 0.878 1.571 7.666 293 HG2 ARG 36 2HG ARG 36 2.496 1.946 9.556 294 HG3 ARG 36 1HG ARG 36 3.781 1.921 8.346 295 HD2 ARG 36 2HD ARG 36 1.864 3.677 7.336 296 HD3 ARG 36 1HD ARG 36 1.960 4.043 9.059 297 HH11 ARG 36 1HH1 ARG 36 1.871 5.963 8.524 298 HH12 ARG 36 2HH1 ARG 36 2.834 7.398 8.411 299 HH21 ARG 36 1HH2 ARG 36 5.792 5.708 7.630 300 HH22 ARG 36 2HH2 ARG 36 5.060 7.254 7.903 301 H GLY 37 H GLY 37 2.631 -0.668 5.718 302 HA2 GLY 37 2HA GLY 37 5.248 -1.815 6.461 303 HA3 GLY 37 1HA GLY 37 4.330 -2.297 5.034 304 H PHE 38 H PHE 38 7.062 -1.168 5.143 305 HA PHE 38 HA PHE 38 6.548 1.206 3.473 306 HD1 PHE 38 1HD PHE 38 7.322 3.542 3.392 307 HD2 PHE 38 2HD PHE 38 10.777 1.683 5.068 308 HE1 PHE 38 1HE PHE 38 8.752 5.273 2.392 309 HE2 PHE 38 2HE PHE 38 12.201 3.408 4.055 310 HZ PHE 38 HZ PHE 38 11.189 5.206 2.713 311 HB2 PHE 38 2HB PHE 38 7.403 1.952 5.617 312 HB3 PHE 38 1HB PHE 38 8.724 0.797 5.536 313 H ILE 39 H ILE 39 7.150 0.815 1.459 314 HA ILE 39 HA ILE 39 9.580 -0.809 1.028 315 HB ILE 39 HB ILE 39 7.296 -0.990 -0.905 316 HG12 ILE 39 2HG1 ILE 39 7.614 -2.501 1.683 317 HG13 ILE 39 1HG1 ILE 39 6.161 -1.788 0.996 318 HG21 ILE 39 1HG2 ILE 39 8.919 -3.347 -0.545 319 HG22 ILE 39 2HG2 ILE 39 9.920 -1.933 -0.860 320 HG23 ILE 39 3HG2 ILE 39 8.645 -2.378 -1.992 321 HD11 ILE 39 3HD1 ILE 39 7.553 -4.219 -0.099 322 HD12 ILE 39 1HD1 ILE 39 6.018 -3.542 -0.641 323 HD13 ILE 39 2HD1 ILE 39 6.152 -4.244 0.970 324 H ASP 40 H ASP 40 11.037 0.616 0.180 325 HA ASP 40 HA ASP 40 10.040 2.619 -1.717 326 HB2 ASP 40 2HB ASP 40 11.475 4.047 -0.768 327 HB3 ASP 40 1HB ASP 40 12.006 2.797 0.343 328 H PHE 41 H PHE 41 10.502 2.536 -3.810 329 HA PHE 41 HA PHE 41 12.124 0.261 -4.712 330 HD1 PHE 41 1HD PHE 41 11.235 -1.482 -6.798 331 HD2 PHE 41 2HD PHE 41 8.192 0.673 -4.749 332 HE1 PHE 41 1HE PHE 41 9.977 -3.572 -6.479 333 HE2 PHE 41 2HE PHE 41 6.928 -1.413 -4.424 334 HZ PHE 41 HZ PHE 41 7.820 -3.539 -5.290 335 HB2 PHE 41 2HB PHE 41 9.873 1.832 -5.922 336 HB3 PHE 41 1HB PHE 41 10.996 0.993 -6.985 337 H GLY 42 H GLY 42 12.718 3.343 -4.003 338 HA2 GLY 42 2HA GLY 42 15.024 4.009 -4.688 339 HA3 GLY 42 1HA GLY 42 14.480 3.751 -6.337 340 H ASP 43 H ASP 43 13.152 5.278 -7.329 341 HA ASP 43 HA ASP 43 13.281 7.922 -6.112 342 HB2 ASP 43 2HB ASP 43 13.756 7.120 -8.650 343 HB3 ASP 43 1HB ASP 43 12.066 7.595 -8.793 344 H SER 44 H SER 44 11.531 6.430 -4.720 345 HA SER 44 HA SER 44 9.243 7.910 -4.547 346 HG SER 44 HG SER 44 6.844 7.143 -5.207 347 HB2 SER 44 2HB SER 44 8.515 7.196 -6.733 348 HB3 SER 44 1HB SER 44 8.852 5.525 -6.352 349 H ASN 45 H ASN 45 7.316 5.947 -3.801 350 HA ASN 45 HA ASN 45 8.498 3.945 -2.161 351 HB2 ASN 45 2HB ASN 45 8.204 6.607 -1.040 352 HB3 ASN 45 1HB ASN 45 7.252 5.431 -0.137 353 HD21 ASN 45 1HD2 ASN 45 10.129 6.910 -0.223 354 HD22 ASN 45 2HD2 ASN 45 11.115 5.720 0.549 355 H CYS 46 H CYS 46 6.813 2.956 -0.664 356 HA CYS 46 HA CYS 46 4.060 3.531 -1.379 357 HG CYS 46 HG CYS 46 2.634 1.061 -3.232 358 HB2 CYS 46 2HB CYS 46 4.886 1.977 -3.146 359 HB3 CYS 46 1HB CYS 46 5.218 0.787 -1.894 360 H GLU 47 H GLU 47 3.415 3.844 0.671 361 HA GLU 47 HA GLU 47 4.083 1.825 2.696 362 HB2 GLU 47 2HB GLU 47 4.413 4.470 2.860 363 HB3 GLU 47 1HB GLU 47 2.741 4.399 3.392 364 HG2 GLU 47 2HG GLU 47 3.278 3.218 5.322 365 HG3 GLU 47 1HG GLU 47 4.833 2.683 4.683 366 H LEU 48 H LEU 48 2.392 0.967 4.048 367 HA LEU 48 HA LEU 48 -0.326 1.499 3.114 368 HG LEU 48 HG LEU 48 1.589 -1.743 3.945 369 HB2 LEU 48 2HB LEU 48 -0.702 -1.068 3.341 370 HB3 LEU 48 1HB LEU 48 -0.112 -0.380 1.843 371 HD11 LEU 48 1HD1 LEU 48 1.386 -3.670 2.821 372 HD12 LEU 48 2HD1 LEU 48 1.385 -2.876 1.248 373 HD13 LEU 48 3HD1 LEU 48 -0.099 -2.957 2.196 374 HD21 LEU 48 3HD2 LEU 48 3.212 -0.511 2.984 375 HD22 LEU 48 1HD2 LEU 48 2.229 -0.123 1.573 376 HD23 LEU 48 2HD2 LEU 48 3.069 -1.672 1.667 377 H LEU 49 H LEU 49 -1.659 1.851 4.704 378 HA LEU 49 HA LEU 49 -0.866 1.089 7.427 379 HG LEU 49 HG LEU 49 -2.275 1.878 9.190 380 HB2 LEU 49 2HB LEU 49 -1.872 3.394 6.712 381 HB3 LEU 49 1HB LEU 49 -3.400 2.535 6.768 382 HD11 LEU 49 1HD1 LEU 49 -0.595 3.316 9.537 383 HD12 LEU 49 2HD1 LEU 49 -1.876 4.488 9.845 384 HD13 LEU 49 3HD1 LEU 49 -1.123 4.403 8.253 385 HD21 LEU 49 3HD2 LEU 49 -3.887 3.556 10.099 386 HD22 LEU 49 1HD2 LEU 49 -4.579 2.453 8.908 387 HD23 LEU 49 2HD2 LEU 49 -4.166 4.104 8.445 388 H ALA 50 H ALA 50 -1.757 -0.568 8.519 389 HA ALA 50 HA ALA 50 -4.228 -1.728 7.461 390 HB1 ALA 50 3HB ALA 50 -1.573 -3.040 7.653 391 HB2 ALA 50 1HB ALA 50 -2.774 -3.103 6.366 392 HB3 ALA 50 2HB ALA 50 -3.034 -3.991 7.855 393 H HIS 51 H HIS 51 -5.612 -1.650 9.065 394 HA HIS 51 HA HIS 51 -4.741 -2.482 11.718 395 HD1 HIS 51 1HD HIS 51 -7.721 0.117 13.759 396 HD2 HIS 51 2HD HIS 51 -3.813 -1.250 13.377 397 HE1 HIS 51 1HE HIS 51 -6.684 0.395 16.032 398 HE2 HIS 51 2HE HIS 51 -4.347 -0.514 15.795 399 HB2 HIS 51 2HB HIS 51 -5.901 -0.078 11.046 400 HB3 HIS 51 1HB HIS 51 -7.296 -1.024 11.547 401 HA PRO 52 HA PRO 52 -7.308 -6.027 11.927 402 HB2 PRO 52 2HB PRO 52 -9.021 -4.591 13.912 403 HB3 PRO 52 1HB PRO 52 -8.324 -6.215 13.987 404 HG2 PRO 52 2HG PRO 52 -7.205 -4.227 15.328 405 HG3 PRO 52 1HG PRO 52 -6.200 -5.423 14.496 406 HD2 PRO 52 2HD PRO 52 -6.816 -2.608 13.732 407 HD3 PRO 52 1HD PRO 52 -5.333 -3.544 13.478 408 H ASP 53 H ASP 53 -8.946 -2.975 11.289 409 HA ASP 53 HA ASP 53 -10.891 -4.506 9.745 410 HB2 ASP 53 2HB ASP 53 -11.715 -3.779 12.126 411 HB3 ASP 53 1HB ASP 53 -11.931 -2.210 11.356 412 H HIS 54 H HIS 54 -8.677 -2.079 9.613 413 HA HIS 54 HA HIS 54 -9.992 -1.101 7.225 414 HD1 HIS 54 1HD HIS 54 -7.273 1.981 8.799 415 HD2 HIS 54 2HD HIS 54 -9.986 0.339 11.482 416 HE1 HIS 54 1HE HIS 54 -6.369 2.521 11.081 417 HE2 HIS 54 2HE HIS 54 -8.119 1.669 12.679 418 HB2 HIS 54 2HB HIS 54 -9.504 1.281 7.734 419 HB3 HIS 54 1HB HIS 54 -10.721 0.566 8.777 420 H VAL 55 H VAL 55 -8.551 0.024 5.713 421 HA VAL 55 HA VAL 55 -5.714 -0.312 6.286 422 HB VAL 55 HB VAL 55 -6.847 -2.297 4.982 423 HG11 VAL 55 1HG1 VAL 55 -6.049 -0.716 2.588 424 HG12 VAL 55 2HG1 VAL 55 -7.677 -0.540 3.242 425 HG13 VAL 55 3HG1 VAL 55 -7.108 -2.120 2.710 426 HG21 VAL 55 3HG2 VAL 55 -4.733 -2.809 3.958 427 HG22 VAL 55 1HG2 VAL 55 -4.456 -2.050 5.524 428 HG23 VAL 55 2HG2 VAL 55 -4.245 -1.115 4.044 429 H LEU 56 H LEU 56 -4.455 1.213 5.406 430 HA LEU 56 HA LEU 56 -5.713 3.149 3.576 431 HG LEU 56 HG LEU 56 -6.480 4.788 5.471 432 HB2 LEU 56 2HB LEU 56 -4.447 3.562 6.134 433 HB3 LEU 56 1HB LEU 56 -3.532 4.393 4.900 434 HD11 LEU 56 1HD1 LEU 56 -4.760 5.574 7.195 435 HD12 LEU 56 2HD1 LEU 56 -5.940 6.744 6.606 436 HD13 LEU 56 3HD1 LEU 56 -4.290 6.768 5.984 437 HD21 LEU 56 3HD2 LEU 56 -4.626 5.897 3.407 438 HD22 LEU 56 1HD2 LEU 56 -5.884 6.932 4.077 439 HD23 LEU 56 2HD2 LEU 56 -6.323 5.431 3.265 440 H MET 57 H MET 57 -4.450 3.970 1.903 441 HA MET 57 HA MET 57 -1.872 2.623 1.485 442 HB2 MET 57 2HB MET 57 -3.788 3.170 -0.761 443 HB3 MET 57 1HB MET 57 -2.394 2.095 -0.742 444 HG2 MET 57 2HG MET 57 -3.547 0.635 0.864 445 HG3 MET 57 1HG MET 57 -4.953 1.699 0.789 446 HE1 MET 57 3HE MET 57 -7.038 -0.141 -1.410 447 HE2 MET 57 1HE MET 57 -6.746 1.577 -1.676 448 HE3 MET 57 2HE MET 57 -6.743 0.926 -0.038 449 H ILE 58 H ILE 58 -0.301 4.130 1.478 450 HA ILE 58 HA ILE 58 -0.848 6.672 0.105 451 HB ILE 58 HB ILE 58 0.937 6.302 2.516 452 HG12 ILE 58 2HG1 ILE 58 -1.916 6.602 2.378 453 HG13 ILE 58 1HG1 ILE 58 -0.896 6.440 3.795 454 HG21 ILE 58 1HG2 ILE 58 1.663 8.081 1.046 455 HG22 ILE 58 2HG2 ILE 58 1.008 8.751 2.539 456 HG23 ILE 58 3HG2 ILE 58 0.043 8.783 1.062 457 HD11 ILE 58 3HD1 ILE 58 -2.423 8.506 3.555 458 HD12 ILE 58 1HD1 ILE 58 -1.176 9.097 2.456 459 HD13 ILE 58 2HD1 ILE 58 -0.770 8.718 4.130 460 H LEU 59 H LEU 59 0.725 7.409 -1.281 461 HA LEU 59 HA LEU 59 3.127 5.721 -1.526 462 HG LEU 59 HG LEU 59 1.315 7.122 -5.141 463 HB2 LEU 59 2HB LEU 59 3.113 6.210 -3.937 464 HB3 LEU 59 1HB LEU 59 1.689 5.341 -3.415 465 HD11 LEU 59 1HD1 LEU 59 -0.330 7.966 -2.859 466 HD12 LEU 59 2HD1 LEU 59 -0.266 6.225 -3.134 467 HD13 LEU 59 3HD1 LEU 59 -0.803 7.304 -4.423 468 HD21 LEU 59 3HD2 LEU 59 1.376 9.392 -4.608 469 HD22 LEU 59 1HD2 LEU 59 2.894 8.753 -3.979 470 HD23 LEU 59 2HD2 LEU 59 1.549 9.081 -2.885 471 H ASN 60 H ASN 60 5.002 6.799 -2.481 472 HA ASN 60 HA ASN 60 5.040 9.712 -2.112 473 HB2 ASN 60 2HB ASN 60 6.395 7.827 -0.425 474 HB3 ASN 60 1HB ASN 60 7.603 8.680 -1.382 475 HD21 ASN 60 1HD2 ASN 60 6.691 8.732 1.517 476 HD22 ASN 60 2HD2 ASN 60 6.502 10.415 1.856 477 H SER 61 H SER 61 5.225 10.236 -4.237 478 HA SER 61 HA SER 61 7.601 9.137 -5.621 479 HG SER 61 HG SER 61 4.393 8.252 -5.382 480 HB2 SER 61 2HB SER 61 5.141 9.333 -7.254 481 HB3 SER 61 1HB SER 61 6.456 8.164 -7.328 482 HA PRO 62 HA PRO 62 7.958 13.357 -7.066 483 HB2 PRO 62 2HB PRO 62 10.011 13.042 -8.715 484 HB3 PRO 62 1HB PRO 62 10.186 12.855 -6.966 485 HG2 PRO 62 2HG PRO 62 9.868 10.727 -9.053 486 HG3 PRO 62 1HG PRO 62 11.041 10.816 -7.724 487 HD2 PRO 62 2HD PRO 62 8.750 9.373 -7.581 488 HD3 PRO 62 1HD PRO 62 9.510 10.113 -6.162 489 H ASP 63 H ASP 63 6.777 10.771 -8.902 490 HA ASP 63 HA ASP 63 5.860 12.651 -10.921 491 HB2 ASP 63 2HB ASP 63 7.794 11.875 -12.050 492 HB3 ASP 63 1HB ASP 63 7.527 10.214 -11.540 493 H GLU 64 H GLU 64 3.870 11.994 -11.914 494 HA GLU 64 HA GLU 64 2.217 10.405 -10.250 495 HB2 GLU 64 2HB GLU 64 1.819 11.578 -12.975 496 HB3 GLU 64 1HB GLU 64 0.746 10.287 -12.466 497 HG2 GLU 64 2HG GLU 64 -0.428 12.046 -11.675 498 HG3 GLU 64 1HG GLU 64 0.593 11.734 -10.267 499 H ASP 65 H ASP 65 3.952 9.461 -13.241 500 HA ASP 65 HA ASP 65 2.861 6.958 -13.657 501 HB2 ASP 65 2HB ASP 65 4.733 8.088 -14.964 502 HB3 ASP 65 1HB ASP 65 5.830 7.499 -13.717 503 H SER 66 H SER 66 5.604 7.786 -11.581 504 HA SER 66 HA SER 66 5.877 5.292 -10.303 505 HG SER 66 HG SER 66 7.756 7.083 -11.208 506 HB2 SER 66 2HB SER 66 6.598 8.093 -9.432 507 HB3 SER 66 1HB SER 66 7.025 6.657 -8.500 508 H LEU 67 H LEU 67 4.418 8.287 -9.227 509 HA LEU 67 HA LEU 67 3.245 7.742 -6.868 510 HG LEU 67 HG LEU 67 1.154 9.547 -6.475 511 HB2 LEU 67 2HB LEU 67 3.157 9.897 -7.854 512 HB3 LEU 67 1HB LEU 67 2.282 9.311 -9.237 513 HD11 LEU 67 1HD1 LEU 67 1.028 11.703 -6.898 514 HD12 LEU 67 2HD1 LEU 67 -0.161 11.299 -8.137 515 HD13 LEU 67 3HD1 LEU 67 1.540 11.474 -8.569 516 HD21 LEU 67 3HD2 LEU 67 0.041 8.583 -9.056 517 HD22 LEU 67 1HD2 LEU 67 -1.011 9.440 -7.932 518 HD23 LEU 67 2HD2 LEU 67 -0.205 7.957 -7.425 519 H ALA 68 H ALA 68 1.498 7.256 -9.951 520 HA ALA 68 HA ALA 68 -0.629 5.846 -8.709 521 HB1 ALA 68 3HB ALA 68 -1.245 6.762 -10.740 522 HB2 ALA 68 1HB ALA 68 -0.999 5.072 -11.181 523 HB3 ALA 68 2HB ALA 68 0.248 6.267 -11.540 524 H HIS 69 H HIS 69 2.396 4.852 -10.221 525 HA HIS 69 HA HIS 69 1.963 2.127 -10.480 526 HD1 HIS 69 1HD HIS 69 6.500 2.087 -11.240 527 HD2 HIS 69 2HD HIS 69 3.108 0.010 -10.033 528 HE1 HIS 69 1HE HIS 69 7.078 -0.348 -11.488 529 HE2 HIS 69 2HE HIS 69 5.035 -1.586 -10.685 530 HB2 HIS 69 2HB HIS 69 4.003 3.415 -11.229 531 HB3 HIS 69 1HB HIS 69 4.560 3.369 -9.560 532 H MET 70 H MET 70 2.809 4.039 -7.654 533 HA MET 70 HA MET 70 3.129 1.730 -5.954 534 HB2 MET 70 2HB MET 70 2.662 4.381 -4.721 535 HB3 MET 70 1HB MET 70 3.869 3.170 -4.337 536 HG2 MET 70 2HG MET 70 3.937 5.217 -6.524 537 HG3 MET 70 1HG MET 70 5.011 5.066 -5.139 538 HE1 MET 70 3HE MET 70 7.451 2.332 -6.009 539 HE2 MET 70 1HE MET 70 6.342 2.797 -4.718 540 HE3 MET 70 2HE MET 70 7.411 4.000 -5.439 541 H GLN 71 H GLN 71 0.729 4.417 -5.960 542 HA GLN 71 HA GLN 71 -0.958 3.328 -4.065 543 HB2 GLN 71 2HB GLN 71 -2.815 4.613 -5.429 544 HB3 GLN 71 1HB GLN 71 -1.632 5.465 -4.458 545 HG2 GLN 71 2HG GLN 71 -0.830 6.524 -6.239 546 HG3 GLN 71 1HG GLN 71 -0.749 5.039 -7.188 547 HE21 GLN 71 1HE2 GLN 71 -2.394 4.529 -8.566 548 HE22 GLN 71 2HE2 GLN 71 -3.703 5.598 -8.923 549 H ASN 72 H ASN 72 -0.660 2.477 -7.431 550 HA ASN 72 HA ASN 72 -3.132 0.992 -7.471 551 HB2 ASN 72 2HB ASN 72 -1.756 2.102 -9.456 552 HB3 ASN 72 1HB ASN 72 -1.014 0.506 -9.508 553 HD21 ASN 72 1HD2 ASN 72 -4.181 2.081 -9.398 554 HD22 ASN 72 2HD2 ASN 72 -4.976 0.943 -10.427 555 H VAL 73 H VAL 73 0.326 0.202 -7.323 556 HA VAL 73 HA VAL 73 0.276 -2.528 -7.470 557 HB VAL 73 HB VAL 73 1.999 -0.651 -5.887 558 HG11 VAL 73 1HG1 VAL 73 2.194 -3.660 -5.847 559 HG12 VAL 73 2HG1 VAL 73 1.949 -2.586 -4.469 560 HG13 VAL 73 3HG1 VAL 73 3.483 -2.569 -5.338 561 HG21 VAL 73 3HG2 VAL 73 3.102 -2.559 -7.844 562 HG22 VAL 73 1HG2 VAL 73 3.457 -0.849 -7.597 563 HG23 VAL 73 2HG2 VAL 73 2.013 -1.330 -8.488 564 H VAL 74 H VAL 74 -0.453 -0.530 -4.636 565 HA VAL 74 HA VAL 74 -0.820 -2.745 -2.873 566 HB VAL 74 HB VAL 74 -1.831 0.086 -2.607 567 HG11 VAL 74 1HG1 VAL 74 -3.025 -1.659 -1.222 568 HG12 VAL 74 2HG1 VAL 74 -2.275 -0.343 -0.322 569 HG13 VAL 74 3HG1 VAL 74 -1.492 -1.920 -0.391 570 HG21 VAL 74 3HG2 VAL 74 0.215 -0.383 -0.769 571 HG22 VAL 74 1HG2 VAL 74 0.296 0.615 -2.218 572 HG23 VAL 74 2HG2 VAL 74 0.789 -1.079 -2.282 573 H ALA 75 H ALA 75 -3.099 -0.651 -4.677 574 HA ALA 75 HA ALA 75 -5.503 -1.628 -3.784 575 HB1 ALA 75 3HB ALA 75 -4.741 -0.834 -6.594 576 HB2 ALA 75 1HB ALA 75 -5.440 0.198 -5.345 577 HB3 ALA 75 2HB ALA 75 -6.396 -1.105 -6.050 578 H ASP 76 H ASP 76 -3.134 -3.138 -5.797 579 HA ASP 76 HA ASP 76 -4.822 -5.269 -6.724 580 HB2 ASP 76 2HB ASP 76 -2.457 -4.278 -7.588 581 HB3 ASP 76 1HB ASP 76 -1.890 -5.675 -6.677 582 H HIS 77 H HIS 77 -2.387 -4.896 -4.169 583 HA HIS 77 HA HIS 77 -2.303 -7.557 -3.323 584 HD1 HIS 77 1HD HIS 77 -0.718 -6.392 -4.664 585 HD2 HIS 77 2HD HIS 77 0.975 -4.672 -1.281 586 HE1 HIS 77 1HE HIS 77 1.558 -5.600 -5.380 587 HE2 HIS 77 2HE HIS 77 2.601 -4.653 -3.291 588 HB2 HIS 77 2HB HIS 77 -1.974 -5.125 -1.553 589 HB3 HIS 77 1HB HIS 77 -1.348 -6.737 -1.257 590 H LEU 78 H LEU 78 -4.492 -4.933 -2.353 591 HA LEU 78 HA LEU 78 -5.840 -6.395 -0.346 592 HG LEU 78 HG LEU 78 -5.014 -3.209 -0.607 593 HB2 LEU 78 2HB LEU 78 -6.716 -4.040 -2.025 594 HB3 LEU 78 1HB LEU 78 -7.641 -4.678 -0.683 595 HD11 LEU 78 1HD1 LEU 78 -6.185 -1.705 0.829 596 HD12 LEU 78 2HD1 LEU 78 -7.586 -2.773 0.893 597 HD13 LEU 78 3HD1 LEU 78 -7.163 -1.962 -0.615 598 HD21 LEU 78 3HD2 LEU 78 -6.285 -4.836 1.596 599 HD22 LEU 78 1HD2 LEU 78 -4.994 -3.659 1.835 600 HD23 LEU 78 2HD2 LEU 78 -4.704 -5.101 0.863 601 H GLN 79 H GLN 79 -6.051 -6.303 -3.806 602 HA GLN 79 HA GLN 79 -8.662 -7.434 -4.007 603 HB2 GLN 79 2HB GLN 79 -7.717 -6.113 -5.826 604 HB3 GLN 79 1HB GLN 79 -6.432 -7.292 -6.041 605 HG2 GLN 79 2HG GLN 79 -7.763 -8.755 -7.135 606 HG3 GLN 79 1HG GLN 79 -9.203 -8.299 -6.224 607 HE21 GLN 79 1HE2 GLN 79 -9.057 -8.680 -9.030 608 HE22 GLN 79 2HE2 GLN 79 -9.426 -7.171 -9.785 609 H ARG 80 H ARG 80 -5.387 -8.820 -4.096 610 HA ARG 80 HA ARG 80 -6.156 -11.430 -4.815 611 HE ARG 80 HE ARG 80 -1.550 -12.790 -4.625 612 HB2 ARG 80 2HB ARG 80 -3.795 -10.570 -3.128 613 HB3 ARG 80 1HB ARG 80 -3.973 -12.120 -3.939 614 HG2 ARG 80 2HG ARG 80 -4.329 -10.227 -5.937 615 HG3 ARG 80 1HG ARG 80 -2.998 -9.609 -4.959 616 HD2 ARG 80 2HD ARG 80 -3.177 -12.371 -6.162 617 HD3 ARG 80 1HD ARG 80 -2.195 -11.041 -6.776 618 HH11 ARG 80 1HH1 ARG 80 -1.161 -9.514 -5.764 619 HH12 ARG 80 2HH1 ARG 80 0.314 -9.255 -4.895 620 HH21 ARG 80 1HH2 ARG 80 0.391 -12.450 -3.482 621 HH22 ARG 80 2HH2 ARG 80 1.196 -10.921 -3.600 622 H MET 81 H MET 81 -5.922 -9.761 -1.761 623 HA MET 81 HA MET 81 -6.522 -12.124 -0.210 624 HB2 MET 81 2HB MET 81 -6.517 -10.609 1.719 625 HB3 MET 81 1HB MET 81 -5.077 -10.440 0.735 626 HG2 MET 81 2HG MET 81 -5.658 -8.266 1.330 627 HG3 MET 81 1HG MET 81 -6.204 -8.437 -0.333 628 HE1 MET 81 3HE MET 81 -8.013 -7.000 3.202 629 HE2 MET 81 1HE MET 81 -8.152 -5.967 1.780 630 HE3 MET 81 2HE MET 81 -6.593 -6.671 2.211 631 H ALA 82 H ALA 82 -8.366 -9.916 -1.967 632 HA ALA 82 HA ALA 82 -10.811 -10.879 -0.646 633 HB1 ALA 82 3HB ALA 82 -10.019 -8.022 -1.053 634 HB2 ALA 82 1HB ALA 82 -10.740 -8.795 0.359 635 HB3 ALA 82 2HB ALA 82 -11.721 -8.481 -1.073 636 H ASN 83 H ASN 83 -10.878 -12.273 -2.508 637 HA ASN 83 HA ASN 83 -10.956 -11.334 -5.163 638 HB2 ASN 83 2HB ASN 83 -10.995 -13.815 -3.906 639 HB3 ASN 83 1HB ASN 83 -12.554 -13.729 -4.718 640 HD21 ASN 83 1HD2 ASN 83 -12.523 -14.613 -6.640 641 HD22 ASN 83 2HD2 ASN 83 -11.201 -14.607 -7.751 642 H SER 84 H SER 84 -13.315 -12.530 -6.182 643 HA SER 84 HA SER 84 -15.549 -12.201 -6.527 644 HG SER 84 HG SER 84 -17.133 -12.771 -4.041 645 HB2 SER 84 2HB SER 84 -15.339 -11.736 -3.785 646 HB3 SER 84 1HB SER 84 -16.156 -10.303 -4.407 647 H GLU 85 H GLU 85 -14.671 -9.112 -4.986 648 HA GLU 85 HA GLU 85 -15.306 -7.784 -7.536 649 HB2 GLU 85 2HB GLU 85 -15.864 -5.810 -6.251 650 HB3 GLU 85 1HB GLU 85 -16.753 -7.187 -5.617 651 HG2 GLU 85 2HG GLU 85 -14.862 -7.382 -3.904 652 HG3 GLU 85 1HG GLU 85 -14.413 -5.756 -4.416 653 H SER 86 H SER 86 -13.984 -6.068 -8.270 654 HA SER 86 HA SER 86 -11.198 -6.444 -7.714 655 HG SER 86 HG SER 86 -11.191 -6.429 -10.565 656 HB2 SER 86 2HB SER 86 -12.568 -4.335 -9.402 657 HB3 SER 86 1HB SER 86 -10.842 -4.692 -9.403 658 H LEU 87 H LEU 87 -11.528 -5.956 -5.394 659 HA LEU 87 HA LEU 87 -11.716 -4.528 -3.570 660 HG LEU 87 HG LEU 87 -8.245 -4.676 -2.933 661 HB2 LEU 87 2HB LEU 87 -9.218 -4.412 -4.947 662 HB3 LEU 87 1HB LEU 87 -9.560 -2.824 -4.281 663 HD11 LEU 87 1HD1 LEU 87 -10.168 -2.594 -1.972 664 HD12 LEU 87 2HD1 LEU 87 -8.405 -2.539 -2.038 665 HD13 LEU 87 3HD1 LEU 87 -9.212 -3.541 -0.831 666 HD21 LEU 87 3HD2 LEU 87 -9.573 -5.893 -1.380 667 HD22 LEU 87 1HD2 LEU 87 -10.181 -6.263 -2.991 668 HD23 LEU 87 2HD2 LEU 87 -11.055 -5.134 -1.955 669 H GLU 88 H GLU 88 -13.327 -3.119 -3.302 670 HA GLU 88 HA GLU 88 -13.695 -0.859 -5.025 671 HB2 GLU 88 2HB GLU 88 -15.555 -1.942 -3.744 672 HB3 GLU 88 1HB GLU 88 -14.824 -1.353 -2.257 673 HG2 GLU 88 2HG GLU 88 -15.148 0.831 -4.064 674 HG3 GLU 88 1HG GLU 88 -16.671 -0.048 -3.935 675 H ILE 89 H ILE 89 -11.894 0.439 -5.034 676 HA ILE 89 HA ILE 89 -11.201 1.655 -2.459 677 HB ILE 89 HB ILE 89 -8.879 1.516 -2.802 678 HG12 ILE 89 2HG1 ILE 89 -9.130 2.040 -5.363 679 HG13 ILE 89 1HG1 ILE 89 -7.738 1.144 -4.786 680 HG21 ILE 89 1HG2 ILE 89 -8.466 -0.905 -3.309 681 HG22 ILE 89 2HG2 ILE 89 -10.186 -1.036 -3.670 682 HG23 ILE 89 3HG2 ILE 89 -9.658 -0.573 -2.054 683 HD11 ILE 89 3HD1 ILE 89 -8.669 0.185 -6.823 684 HD12 ILE 89 1HD1 ILE 89 -10.205 -0.076 -5.998 685 HD13 ILE 89 2HD1 ILE 89 -8.761 -0.940 -5.466 686 H ALA 90 H ALA 90 -11.194 3.881 -2.483 687 HA ALA 90 HA ALA 90 -11.413 5.136 -5.129 688 HB1 ALA 90 3HB ALA 90 -11.862 6.535 -2.499 689 HB2 ALA 90 1HB ALA 90 -13.134 5.605 -3.298 690 HB3 ALA 90 2HB ALA 90 -12.420 7.002 -4.104 691 H TRP 91 H TRP 91 -9.541 5.708 -5.947 692 HA TRP 91 HA TRP 91 -7.351 6.503 -4.195 693 HD1 TRP 91 HD TRP 91 -8.481 3.847 -7.526 694 HE1 TRP 91 1HE TRP 91 -9.257 4.465 -9.902 695 HE3 TRP 91 3HE TRP 91 -6.452 8.530 -7.852 696 HZ2 TRP 91 2HZ TRP 91 -9.038 6.649 -11.677 697 HZ3 TRP 91 3HZ TRP 91 -6.782 9.817 -9.923 698 HH2 TRP 91 HH TRP 91 -8.048 8.894 -11.796 699 HB2 TRP 91 2HB TRP 91 -6.001 6.427 -6.313 700 HB3 TRP 91 1HB TRP 91 -6.744 4.895 -5.862 701 H GLN 92 H GLN 92 -6.624 8.517 -3.987 702 HA GLN 92 HA GLN 92 -8.066 10.637 -5.371 703 HB2 GLN 92 2HB GLN 92 -6.169 10.621 -3.028 704 HB3 GLN 92 1HB GLN 92 -6.634 12.116 -3.823 705 HG2 GLN 92 2HG GLN 92 -8.255 12.122 -2.278 706 HG3 GLN 92 1HG GLN 92 -9.061 11.047 -3.418 707 HE21 GLN 92 1HE2 GLN 92 -9.247 8.878 -2.946 708 HE22 GLN 92 2HE2 GLN 92 -8.911 8.230 -1.380 709 HA PRO 93 HA PRO 93 -5.211 11.781 -8.495 710 HB2 PRO 93 2HB PRO 93 -5.066 14.431 -7.147 711 HB3 PRO 93 1HB PRO 93 -5.355 14.055 -8.849 712 HG2 PRO 93 2HG PRO 93 -7.368 14.775 -7.258 713 HG3 PRO 93 1HG PRO 93 -7.583 13.517 -8.489 714 HD2 PRO 93 2HD PRO 93 -7.346 13.257 -5.538 715 HD3 PRO 93 1HD PRO 93 -8.234 12.247 -6.695 716 H ALA 94 H ALA 94 -4.379 12.901 -5.231 717 HA ALA 94 HA ALA 94 -2.397 12.323 -4.096 718 HB1 ALA 94 3HB ALA 94 -0.476 11.526 -5.120 719 HB2 ALA 94 1HB ALA 94 -0.821 12.366 -6.629 720 HB3 ALA 94 2HB ALA 94 -1.742 10.929 -6.195 721 H GLU 95 H GLU 95 -3.611 14.850 -4.953 722 HA GLU 95 HA GLU 95 -1.566 16.603 -4.072 723 HB2 GLU 95 2HB GLU 95 -1.170 16.097 -6.652 724 HB3 GLU 95 1HB GLU 95 -2.409 17.332 -6.836 725 HG2 GLU 95 2HG GLU 95 -1.080 18.986 -5.917 726 HG3 GLU 95 1HG GLU 95 -0.034 17.830 -5.096 727 H SER 96 H SER 96 -2.321 18.976 -4.352 728 HA SER 96 HA SER 96 -5.053 19.076 -3.417 729 HG SER 96 HG SER 96 -2.709 21.799 -4.494 730 HB2 SER 96 2HB SER 96 -4.480 21.586 -3.226 731 HB3 SER 96 1HB SER 96 -3.609 20.464 -2.181 Start of MODEL 3 1 HA MET 1 HA MET 1 6.969 13.250 -5.152 2 HB2 MET 1 2HB MET 1 7.625 13.561 -2.846 3 HB3 MET 1 1HB MET 1 8.917 14.099 -3.912 4 HG2 MET 1 2HG MET 1 7.103 16.249 -3.197 5 HG3 MET 1 1HG MET 1 7.841 15.491 -1.790 6 HE1 MET 1 3HE MET 1 9.260 18.863 -3.815 7 HE2 MET 1 1HE MET 1 9.190 18.684 -2.062 8 HE3 MET 1 2HE MET 1 7.785 18.276 -3.047 9 H PHE 2 H PHE 2 4.866 13.257 -5.657 10 HA PHE 2 HA PHE 2 3.051 15.050 -4.206 11 HD1 PHE 2 2HD PHE 2 3.481 16.484 -6.646 12 HD2 PHE 2 1HD PHE 2 3.020 12.508 -8.095 13 HE1 PHE 2 2HE PHE 2 4.783 17.067 -8.650 14 HE2 PHE 2 1HE PHE 2 4.312 13.088 -10.101 15 HZ PHE 2 HZ PHE 2 5.200 15.367 -10.383 16 HB2 PHE 2 2HB PHE 2 1.934 13.128 -6.166 17 HB3 PHE 2 1HB PHE 2 1.561 14.831 -5.929 18 H ARG 3 H ARG 3 0.903 13.863 -3.473 19 HA ARG 3 HA ARG 3 1.457 11.130 -2.666 20 HE ARG 3 HE ARG 3 3.591 10.804 1.822 21 HB2 ARG 3 2HB ARG 3 2.005 13.220 -0.869 22 HB3 ARG 3 1HB ARG 3 0.500 12.495 -0.313 23 HG2 ARG 3 2HG ARG 3 1.780 10.994 0.699 24 HG3 ARG 3 1HG ARG 3 2.053 10.315 -0.890 25 HD2 ARG 3 2HD ARG 3 4.208 10.856 -0.807 26 HD3 ARG 3 1HD ARG 3 3.814 12.538 -0.458 27 HH11 ARG 3 1HH1 ARG 3 5.767 12.766 -0.077 28 HH12 ARG 3 2HH1 ARG 3 6.887 13.001 1.222 29 HH21 ARG 3 1HH2 ARG 3 5.065 11.113 3.531 30 HH22 ARG 3 2HH2 ARG 3 6.489 12.063 3.270 31 H SER 4 H SER 4 -0.269 9.918 -2.832 32 HA SER 4 HA SER 4 -2.952 11.122 -2.704 33 HG SER 4 HG SER 4 -4.506 9.001 -4.229 34 HB2 SER 4 2HB SER 4 -2.959 10.334 -4.876 35 HB3 SER 4 1HB SER 4 -1.731 9.109 -4.542 36 H THR 5 H THR 5 -4.657 9.500 -1.947 37 HA THR 5 HA THR 5 -3.541 7.395 -0.290 38 HB THR 5 HB THR 5 -4.569 8.105 1.760 39 HG1 THR 5 1HG THR 5 -5.522 10.390 0.389 40 HG21 THR 5 3HG2 THR 5 -2.378 9.289 0.992 41 HG22 THR 5 1HG2 THR 5 -3.262 9.867 2.400 42 HG23 THR 5 2HG2 THR 5 -3.424 10.703 0.859 43 H SER 6 H SER 6 -4.680 5.609 -0.374 44 HA SER 6 HA SER 6 -7.490 5.783 -1.258 45 HG SER 6 HG SER 6 -8.042 3.156 -1.470 46 HB2 SER 6 2HB SER 6 -5.915 4.516 -2.742 47 HB3 SER 6 1HB SER 6 -5.648 3.384 -1.416 48 H HIS 7 H HIS 7 -9.070 5.113 0.083 49 HA HIS 7 HA HIS 7 -8.269 3.691 2.546 50 HD1 HIS 7 1HD HIS 7 -9.873 6.829 5.011 51 HD2 HIS 7 2HD HIS 7 -10.101 2.723 4.412 52 HE1 HIS 7 1HE HIS 7 -10.131 5.828 7.303 53 HE2 HIS 7 2HE HIS 7 -10.358 3.351 6.907 54 HB2 HIS 7 2HB HIS 7 -9.238 6.106 2.644 55 HB3 HIS 7 1HB HIS 7 -10.782 5.323 2.332 56 H VAL 8 H VAL 8 -9.169 1.748 2.967 57 HA VAL 8 HA VAL 8 -11.674 1.008 1.627 58 HB VAL 8 HB VAL 8 -9.433 -0.986 1.712 59 HG11 VAL 8 1HG1 VAL 8 -11.780 -1.689 1.276 60 HG12 VAL 8 2HG1 VAL 8 -10.660 -2.078 -0.029 61 HG13 VAL 8 3HG1 VAL 8 -11.755 -0.706 -0.189 62 HG21 VAL 8 3HG2 VAL 8 -8.707 -0.399 -0.491 63 HG22 VAL 8 1HG2 VAL 8 -8.614 1.044 0.518 64 HG23 VAL 8 2HG2 VAL 8 -9.945 0.849 -0.623 65 H ARG 9 H ARG 9 -12.817 -0.755 2.665 66 HA ARG 9 HA ARG 9 -12.023 -1.027 5.477 67 HE ARG 9 HE ARG 9 -15.285 0.722 3.638 68 HB2 ARG 9 2HB ARG 9 -14.650 -1.112 4.088 69 HB3 ARG 9 1HB ARG 9 -14.452 -2.130 5.507 70 HG2 ARG 9 2HG ARG 9 -15.402 -0.031 6.166 71 HG3 ARG 9 1HG ARG 9 -13.757 -0.147 6.797 72 HD2 ARG 9 2HD ARG 9 -14.149 2.070 5.907 73 HD3 ARG 9 1HD ARG 9 -12.959 1.223 4.920 74 HH11 ARG 9 1HH1 ARG 9 -13.767 3.660 4.754 75 HH12 ARG 9 2HH1 ARG 9 -14.458 4.639 3.504 76 HH21 ARG 9 1HH2 ARG 9 -16.194 2.009 1.993 77 HH22 ARG 9 2HH2 ARG 9 -15.835 3.702 1.936 78 H THR 10 H THR 10 -10.717 -2.724 5.762 79 HA THR 10 HA THR 10 -11.576 -5.325 4.692 80 HB THR 10 HB THR 10 -9.297 -3.918 3.895 81 HG1 THR 10 1HG THR 10 -10.119 -5.385 2.544 82 HG21 THR 10 3HG2 THR 10 -8.228 -6.387 5.108 83 HG22 THR 10 1HG2 THR 10 -8.411 -4.976 6.157 84 HG23 THR 10 2HG2 THR 10 -7.420 -4.873 4.695 85 H GLU 11 H GLU 11 -10.837 -7.201 5.938 86 HA GLU 11 HA GLU 11 -10.489 -6.509 8.779 87 HB2 GLU 11 2HB GLU 11 -12.206 -8.332 7.433 88 HB3 GLU 11 1HB GLU 11 -11.109 -9.271 8.437 89 HG2 GLU 11 2HG GLU 11 -12.164 -8.679 10.291 90 HG3 GLU 11 1HG GLU 11 -12.114 -6.973 9.853 91 H SER 12 H SER 12 -8.898 -7.503 10.054 92 HA SER 12 HA SER 12 -6.864 -8.377 10.531 93 HG SER 12 HG SER 12 -5.593 -10.704 10.139 94 HB2 SER 12 2HB SER 12 -7.800 -10.510 10.108 95 HB3 SER 12 1HB SER 12 -7.751 -10.274 8.360 96 H ALA 13 H ALA 13 -7.142 -6.264 8.521 97 HA ALA 13 HA ALA 13 -5.437 -6.426 6.350 98 HB1 ALA 13 3HB ALA 13 -5.273 -4.062 6.412 99 HB2 ALA 13 1HB ALA 13 -5.667 -4.046 8.122 100 HB3 ALA 13 2HB ALA 13 -6.892 -4.500 6.950 101 H ALA 14 H ALA 14 -4.531 -5.357 9.609 102 HA ALA 14 HA ALA 14 -1.942 -4.647 9.287 103 HB1 ALA 14 3HB ALA 14 -3.046 -4.495 11.396 104 HB2 ALA 14 1HB ALA 14 -1.538 -5.388 11.602 105 HB3 ALA 14 2HB ALA 14 -3.076 -6.252 11.563 106 H ARG 15 H ARG 15 -3.053 -7.952 8.971 107 HA ARG 15 HA ARG 15 -0.396 -9.062 9.234 108 HE ARG 15 HE ARG 15 0.649 -13.357 9.286 109 HB2 ARG 15 2HB ARG 15 -2.664 -10.221 9.723 110 HB3 ARG 15 1HB ARG 15 -2.734 -10.483 7.991 111 HG2 ARG 15 2HG ARG 15 -1.184 -11.860 10.037 112 HG3 ARG 15 1HG ARG 15 -1.726 -12.409 8.456 113 HD2 ARG 15 2HD ARG 15 0.184 -11.562 7.381 114 HD3 ARG 15 1HD ARG 15 0.590 -10.516 8.739 115 HH11 ARG 15 1HH1 ARG 15 2.471 -10.527 8.355 116 HH12 ARG 15 2HH1 ARG 15 3.987 -11.182 8.872 117 HH21 ARG 15 1HH2 ARG 15 2.645 -14.217 9.963 118 HH22 ARG 15 2HH2 ARG 15 4.087 -13.276 9.782 119 H TYR 16 H TYR 16 -2.563 -8.207 6.587 120 HA TYR 16 HA TYR 16 -0.917 -9.347 4.566 121 HD1 TYR 16 2HD TYR 16 -2.536 -10.733 4.799 122 HD2 TYR 16 1HD TYR 16 -5.132 -7.670 3.360 123 HE1 TYR 16 2HE TYR 16 -4.421 -12.280 4.912 124 HE2 TYR 16 1HE TYR 16 -7.024 -9.228 3.481 125 HH TYR 16 HH TYR 16 -7.481 -11.462 4.982 126 HB2 TYR 16 2HB TYR 16 -2.930 -7.102 4.304 127 HB3 TYR 16 1HB TYR 16 -2.221 -8.002 2.973 128 H VAL 17 H VAL 17 -0.728 -6.415 6.398 129 HA VAL 17 HA VAL 17 1.064 -5.111 4.544 130 HB VAL 17 HB VAL 17 0.070 -4.425 7.287 131 HG11 VAL 17 1HG1 VAL 17 2.722 -3.721 6.271 132 HG12 VAL 17 2HG1 VAL 17 2.047 -3.536 7.893 133 HG13 VAL 17 3HG1 VAL 17 1.727 -2.324 6.661 134 HG21 VAL 17 3HG2 VAL 17 0.313 -2.771 4.801 135 HG22 VAL 17 1HG2 VAL 17 -0.628 -2.412 6.246 136 HG23 VAL 17 2HG2 VAL 17 -1.101 -3.751 5.196 137 H ASN 18 H ASN 18 1.336 -6.826 7.639 138 HA ASN 18 HA ASN 18 4.154 -6.599 7.801 139 HB2 ASN 18 2HB ASN 18 2.399 -8.696 9.088 140 HB3 ASN 18 1HB ASN 18 4.009 -8.204 9.605 141 HD21 ASN 18 1HD2 ASN 18 2.748 -7.952 11.643 142 HD22 ASN 18 2HD2 ASN 18 2.014 -6.417 11.937 143 H ARG 19 H ARG 19 2.033 -8.846 6.161 144 HA ARG 19 HA ARG 19 4.038 -10.856 5.796 145 HE ARG 19 HE ARG 19 -0.164 -12.446 5.115 146 HB2 ARG 19 2HB ARG 19 1.357 -10.902 5.684 147 HB3 ARG 19 1HB ARG 19 1.710 -10.743 3.970 148 HG2 ARG 19 2HG ARG 19 2.112 -12.907 3.856 149 HG3 ARG 19 1HG ARG 19 3.431 -12.721 5.011 150 HD2 ARG 19 2HD ARG 19 1.837 -14.381 5.789 151 HD3 ARG 19 1HD ARG 19 1.850 -12.979 6.854 152 HH11 ARG 19 1HH1 ARG 19 0.582 -15.149 7.192 153 HH12 ARG 19 2HH1 ARG 19 -1.077 -15.580 7.437 154 HH21 ARG 19 1HH2 ARG 19 -2.347 -13.011 5.436 155 HH22 ARG 19 2HH2 ARG 19 -2.740 -14.367 6.440 156 H LEU 20 H LEU 20 3.294 -7.918 4.186 157 HA LEU 20 HA LEU 20 4.193 -8.644 1.588 158 HG LEU 20 HG LEU 20 1.799 -6.678 2.779 159 HB2 LEU 20 2HB LEU 20 4.015 -5.931 2.881 160 HB3 LEU 20 1HB LEU 20 4.291 -6.211 1.174 161 HD11 LEU 20 1HD1 LEU 20 2.262 -5.262 0.159 162 HD12 LEU 20 2HD1 LEU 20 2.264 -4.466 1.732 163 HD13 LEU 20 3HD1 LEU 20 0.794 -5.239 1.138 164 HD21 LEU 20 3HD2 LEU 20 0.893 -7.581 0.524 165 HD22 LEU 20 1HD2 LEU 20 1.782 -8.678 1.577 166 HD23 LEU 20 2HD2 LEU 20 2.576 -7.962 0.174 167 H CYS 21 H CYS 21 5.794 -6.958 4.287 168 HA CYS 21 HA CYS 21 8.202 -6.393 3.011 169 HG CYS 21 HG CYS 21 6.773 -7.879 6.349 170 HB2 CYS 21 2HB CYS 21 9.220 -6.324 5.237 171 HB3 CYS 21 1HB CYS 21 7.636 -5.556 5.267 172 H LYS 22 H LYS 22 7.068 -9.333 4.519 173 HA LYS 22 HA LYS 22 9.558 -10.735 4.157 174 HB2 LYS 22 2HB LYS 22 6.822 -11.801 4.860 175 HB3 LYS 22 1HB LYS 22 8.339 -12.679 4.991 176 HG2 LYS 22 2HG LYS 22 8.805 -11.784 6.979 177 HG3 LYS 22 1HG LYS 22 8.384 -10.156 6.445 178 HD2 LYS 22 2HD LYS 22 6.870 -10.710 8.185 179 HD3 LYS 22 1HD LYS 22 5.964 -10.835 6.675 180 HE2 LYS 22 2HE LYS 22 5.360 -12.742 7.885 181 HE3 LYS 22 1HE LYS 22 6.555 -13.312 6.721 182 HZ1 LYS 22 3HZ LYS 22 6.778 -13.030 9.628 183 HZ2 LYS 22 1HZ LYS 22 8.174 -12.805 8.698 184 HZ3 LYS 22 2HZ LYS 22 7.332 -14.270 8.620 185 H HIS 23 H HIS 23 6.766 -10.072 2.287 186 HA HIS 23 HA HIS 23 7.036 -12.347 0.537 187 HD1 HIS 23 1HD HIS 23 5.961 -11.187 -2.475 188 HD2 HIS 23 2HD HIS 23 3.296 -13.050 0.112 189 HE1 HIS 23 1HE HIS 23 4.664 -12.804 -3.898 190 HE2 HIS 23 2HE HIS 23 3.007 -13.868 -2.326 191 HB2 HIS 23 2HB HIS 23 4.855 -11.127 1.172 192 HB3 HIS 23 1HB HIS 23 5.339 -9.934 -0.029 193 H TRP 24 H TRP 24 7.152 -8.795 -0.070 194 HA TRP 24 HA TRP 24 8.640 -9.362 -2.520 195 HD1 TRP 24 HD TRP 24 7.736 -8.640 -4.863 196 HE1 TRP 24 1HE TRP 24 5.385 -8.941 -5.864 197 HE3 TRP 24 3HE TRP 24 4.967 -6.679 -1.036 198 HZ2 TRP 24 2HZ TRP 24 2.711 -8.419 -5.129 199 HZ3 TRP 24 3HZ TRP 24 2.518 -6.617 -1.267 200 HH2 TRP 24 HH TRP 24 1.415 -7.470 -3.271 201 HB2 TRP 24 2HB TRP 24 7.349 -6.876 -1.421 202 HB3 TRP 24 1HB TRP 24 8.472 -6.808 -2.774 203 H GLY 25 H GLY 25 9.463 -8.750 0.709 204 HA2 GLY 25 2HA GLY 25 11.710 -7.049 0.307 205 HA3 GLY 25 1HA GLY 25 11.409 -8.047 1.716 206 H HIS 26 H HIS 26 12.301 -8.456 -1.707 207 HA HIS 26 HA HIS 26 14.179 -10.556 -0.855 208 HD1 HIS 26 1HD HIS 26 13.596 -12.771 -4.710 209 HD2 HIS 26 2HD HIS 26 13.919 -12.663 -0.569 210 HE1 HIS 26 1HE HIS 26 14.235 -15.105 -4.023 211 HE2 HIS 26 2HE HIS 26 14.507 -14.993 -1.521 212 HB2 HIS 26 2HB HIS 26 12.182 -10.694 -2.757 213 HB3 HIS 26 1HB HIS 26 13.621 -10.391 -3.725 214 H LYS 27 H LYS 27 13.811 -7.547 -2.594 215 HA LYS 27 HA LYS 27 16.701 -7.202 -2.583 216 HB2 LYS 27 2HB LYS 27 16.448 -8.290 -4.701 217 HB3 LYS 27 1HB LYS 27 15.053 -7.311 -5.115 218 HG2 LYS 27 2HG LYS 27 17.470 -5.744 -4.622 219 HG3 LYS 27 1HG LYS 27 17.613 -6.883 -5.961 220 HD2 LYS 27 2HD LYS 27 16.226 -5.705 -7.263 221 HD3 LYS 27 1HD LYS 27 15.072 -5.457 -5.954 222 HE2 LYS 27 2HE LYS 27 15.693 -3.308 -6.155 223 HE3 LYS 27 1HE LYS 27 17.060 -3.808 -5.167 224 HZ1 LYS 27 3HZ LYS 27 18.208 -4.302 -7.354 225 HZ2 LYS 27 1HZ LYS 27 17.982 -2.669 -6.970 226 HZ3 LYS 27 2HZ LYS 27 16.969 -3.420 -8.097 227 H PHE 28 H PHE 28 14.195 -6.019 -1.391 228 HA PHE 28 HA PHE 28 14.842 -3.252 -2.047 229 HD1 PHE 28 2HD PHE 28 13.435 -1.334 -3.546 230 HD2 PHE 28 1HD PHE 28 12.350 -5.369 -4.350 231 HE1 PHE 28 2HE PHE 28 13.631 -0.901 -5.960 232 HE2 PHE 28 1HE PHE 28 12.545 -4.945 -6.766 233 HZ PHE 28 HZ PHE 28 13.186 -2.708 -7.574 234 HB2 PHE 28 2HB PHE 28 12.113 -4.495 -2.176 235 HB3 PHE 28 1HB PHE 28 12.314 -2.774 -1.853 236 H GLU 29 H GLU 29 14.285 -1.728 -0.424 237 HA GLU 29 HA GLU 29 14.628 -2.797 2.219 238 HB2 GLU 29 2HB GLU 29 14.353 -0.317 2.853 239 HB3 GLU 29 1HB GLU 29 15.752 -0.773 1.891 240 HG2 GLU 29 2HG GLU 29 13.394 -0.008 0.334 241 HG3 GLU 29 1HG GLU 29 14.078 1.275 1.331 242 H VAL 30 H VAL 30 12.891 -3.893 2.943 243 HA VAL 30 HA VAL 30 10.297 -2.507 2.914 244 HB VAL 30 HB VAL 30 9.511 -4.962 3.533 245 HG11 VAL 30 1HG1 VAL 30 10.111 -3.802 0.841 246 HG12 VAL 30 2HG1 VAL 30 8.559 -4.010 1.652 247 HG13 VAL 30 3HG1 VAL 30 9.398 -5.408 0.991 248 HG21 VAL 30 3HG2 VAL 30 11.794 -5.657 1.727 249 HG22 VAL 30 1HG2 VAL 30 10.801 -6.708 2.741 250 HG23 VAL 30 2HG2 VAL 30 12.005 -5.652 3.479 251 H GLU 31 H GLU 31 9.741 -1.629 4.803 252 HA GLU 31 HA GLU 31 10.896 -2.668 7.273 253 HB2 GLU 31 2HB GLU 31 10.278 -0.094 6.364 254 HB3 GLU 31 1HB GLU 31 9.081 -0.429 7.608 255 HG2 GLU 31 2HG GLU 31 10.745 -0.780 9.247 256 HG3 GLU 31 1HG GLU 31 12.026 -0.829 8.036 257 H LEU 32 H LEU 32 9.513 -3.067 9.142 258 HA LEU 32 HA LEU 32 6.722 -3.672 8.484 259 HG LEU 32 HG LEU 32 5.988 -6.333 8.370 260 HB2 LEU 32 2HB LEU 32 8.241 -5.674 8.173 261 HB3 LEU 32 1HB LEU 32 8.487 -5.655 9.905 262 HD11 LEU 32 1HD1 LEU 32 6.638 -8.391 8.851 263 HD12 LEU 32 2HD1 LEU 32 6.485 -8.025 10.569 264 HD13 LEU 32 3HD1 LEU 32 8.026 -7.776 9.749 265 HD21 LEU 32 3HD2 LEU 32 4.868 -6.477 10.629 266 HD22 LEU 32 1HD2 LEU 32 5.141 -4.844 10.024 267 HD23 LEU 32 2HD2 LEU 32 6.199 -5.514 11.265 268 H THR 33 H THR 33 5.636 -2.452 9.856 269 HA THR 33 HA THR 33 6.322 -2.647 12.736 270 HB THR 33 HB THR 33 5.362 -0.279 12.890 271 HG1 THR 33 1HG THR 33 5.854 -0.387 10.100 272 HG21 THR 33 3HG2 THR 33 7.589 -0.140 13.259 273 HG22 THR 33 1HG2 THR 33 7.518 0.719 11.721 274 HG23 THR 33 2HG2 THR 33 8.005 -0.975 11.762 275 HA PRO 34 HA PRO 34 2.081 -3.811 13.116 276 HB2 PRO 34 2HB PRO 34 1.430 -2.896 15.575 277 HB3 PRO 34 1HB PRO 34 2.503 -4.270 15.311 278 HG2 PRO 34 2HG PRO 34 3.182 -1.447 15.990 279 HG3 PRO 34 1HG PRO 34 3.921 -2.947 16.572 280 HD2 PRO 34 2HD PRO 34 4.993 -1.361 14.600 281 HD3 PRO 34 1HD PRO 34 5.315 -3.099 14.763 282 H GLU 35 H GLU 35 2.341 -1.608 11.546 283 HA GLU 35 HA GLU 35 -0.152 -0.253 11.987 284 HB2 GLU 35 2HB GLU 35 2.447 1.299 11.974 285 HB3 GLU 35 1HB GLU 35 0.850 2.022 11.834 286 HG2 GLU 35 2HG GLU 35 1.859 0.438 14.185 287 HG3 GLU 35 1HG GLU 35 1.763 2.194 14.091 288 H ARG 36 H ARG 36 2.811 -0.559 10.030 289 HA ARG 36 HA ARG 36 1.326 -0.806 7.642 290 HE ARG 36 HE ARG 36 0.941 4.608 9.168 291 HB2 ARG 36 2HB ARG 36 2.368 1.266 6.551 292 HB3 ARG 36 1HB ARG 36 0.986 1.518 7.599 293 HG2 ARG 36 2HG ARG 36 3.671 1.683 8.837 294 HG3 ARG 36 1HG ARG 36 3.196 2.986 7.747 295 HD2 ARG 36 2HD ARG 36 1.033 2.367 9.525 296 HD3 ARG 36 1HD ARG 36 2.504 2.651 10.454 297 HH11 ARG 36 1HH1 ARG 36 4.279 3.747 9.720 298 HH12 ARG 36 2HH1 ARG 36 4.847 5.379 9.611 299 HH21 ARG 36 1HH2 ARG 36 1.687 6.755 9.026 300 HH22 ARG 36 2HH2 ARG 36 3.377 7.086 9.218 301 H GLY 37 H GLY 37 2.734 -0.720 5.688 302 HA2 GLY 37 2HA GLY 37 5.393 -1.814 6.356 303 HA3 GLY 37 1HA GLY 37 4.449 -2.287 4.945 304 H PHE 38 H PHE 38 7.198 -1.037 5.156 305 HA PHE 38 HA PHE 38 6.651 1.304 3.435 306 HD1 PHE 38 2HD PHE 38 7.254 3.757 3.631 307 HD2 PHE 38 1HD PHE 38 10.878 1.828 4.781 308 HE1 PHE 38 2HE PHE 38 8.545 5.606 2.667 309 HE2 PHE 38 1HE PHE 38 12.171 3.673 3.803 310 HZ PHE 38 HZ PHE 38 11.006 5.564 2.738 311 HB2 PHE 38 2HB PHE 38 7.503 1.994 5.624 312 HB3 PHE 38 1HB PHE 38 8.876 0.914 5.452 313 H ILE 39 H ILE 39 7.229 0.883 1.435 314 HA ILE 39 HA ILE 39 9.689 -0.704 0.982 315 HB ILE 39 HB ILE 39 7.427 -0.838 -0.988 316 HG12 ILE 39 2HG1 ILE 39 7.669 -2.417 1.571 317 HG13 ILE 39 1HG1 ILE 39 6.238 -1.672 0.866 318 HG21 ILE 39 1HG2 ILE 39 10.039 -1.797 -0.917 319 HG22 ILE 39 2HG2 ILE 39 8.778 -2.237 -2.067 320 HG23 ILE 39 3HG2 ILE 39 9.034 -3.216 -0.624 321 HD11 ILE 39 3HD1 ILE 39 6.120 -3.380 -0.818 322 HD12 ILE 39 1HD1 ILE 39 6.210 -4.126 0.777 323 HD13 ILE 39 2HD1 ILE 39 7.636 -4.085 -0.258 324 H ASP 40 H ASP 40 11.077 0.912 0.343 325 HA ASP 40 HA ASP 40 10.082 2.780 -1.692 326 HB2 ASP 40 2HB ASP 40 12.230 4.075 -1.026 327 HB3 ASP 40 1HB ASP 40 10.836 4.123 0.043 328 H PHE 41 H PHE 41 10.924 2.853 -3.631 329 HA PHE 41 HA PHE 41 13.031 0.917 -4.304 330 HD1 PHE 41 2HD PHE 41 11.159 -0.198 -3.780 331 HD2 PHE 41 1HD PHE 41 10.578 0.369 -7.963 332 HE1 PHE 41 2HE PHE 41 10.013 -2.362 -3.911 333 HE2 PHE 41 1HE PHE 41 9.427 -1.800 -8.094 334 HZ PHE 41 HZ PHE 41 9.144 -3.169 -6.067 335 HB2 PHE 41 2HB PHE 41 10.890 2.341 -5.868 336 HB3 PHE 41 1HB PHE 41 12.276 1.655 -6.697 337 H GLY 42 H GLY 42 13.118 3.883 -3.218 338 HA2 GLY 42 2HA GLY 42 15.207 5.102 -3.335 339 HA3 GLY 42 1HA GLY 42 15.272 4.722 -5.052 340 H ASP 43 H ASP 43 14.084 5.946 -6.509 341 HA ASP 43 HA ASP 43 13.200 8.535 -5.509 342 HB2 ASP 43 2HB ASP 43 14.418 7.639 -7.896 343 HB3 ASP 43 1HB ASP 43 12.809 8.190 -8.351 344 H SER 44 H SER 44 11.582 6.766 -4.495 345 HA SER 44 HA SER 44 9.011 7.443 -5.063 346 HG SER 44 HG SER 44 10.602 5.666 -7.813 347 HB2 SER 44 2HB SER 44 8.416 5.099 -6.253 348 HB3 SER 44 1HB SER 44 8.800 6.552 -7.179 349 H ASN 45 H ASN 45 7.426 6.012 -3.865 350 HA ASN 45 HA ASN 45 8.612 3.854 -2.335 351 HB2 ASN 45 2HB ASN 45 7.343 6.060 -0.736 352 HB3 ASN 45 1HB ASN 45 8.429 4.787 -0.191 353 HD21 ASN 45 1HD2 ASN 45 8.346 7.627 -2.308 354 HD22 ASN 45 2HD2 ASN 45 9.963 8.134 -1.973 355 H CYS 46 H CYS 46 6.943 2.846 -0.833 356 HA CYS 46 HA CYS 46 4.190 3.411 -1.564 357 HG CYS 46 HG CYS 46 6.140 1.059 -4.071 358 HB2 CYS 46 2HB CYS 46 4.317 0.619 -1.789 359 HB3 CYS 46 1HB CYS 46 4.031 1.778 -3.082 360 H GLU 47 H GLU 47 3.505 3.754 0.471 361 HA GLU 47 HA GLU 47 4.211 1.829 2.560 362 HB2 GLU 47 2HB GLU 47 4.359 4.487 2.660 363 HB3 GLU 47 1HB GLU 47 2.674 4.328 3.131 364 HG2 GLU 47 2HG GLU 47 3.190 3.401 5.156 365 HG3 GLU 47 1HG GLU 47 4.700 2.694 4.580 366 H LEU 48 H LEU 48 2.512 0.978 3.962 367 HA LEU 48 HA LEU 48 -0.203 1.195 2.889 368 HG LEU 48 HG LEU 48 -0.933 -2.134 3.698 369 HB2 LEU 48 2HB LEU 48 0.801 -0.719 1.722 370 HB3 LEU 48 1HB LEU 48 1.227 -1.451 3.254 371 HD11 LEU 48 1HD1 LEU 48 -2.200 -0.179 3.606 372 HD12 LEU 48 2HD1 LEU 48 -2.911 -1.221 2.376 373 HD13 LEU 48 3HD1 LEU 48 -1.834 0.091 1.901 374 HD21 LEU 48 3HD2 LEU 48 -0.400 -3.539 1.971 375 HD22 LEU 48 1HD2 LEU 48 -0.364 -2.243 0.776 376 HD23 LEU 48 2HD2 LEU 48 -1.908 -2.841 1.382 377 H LEU 49 H LEU 49 -1.533 1.610 4.499 378 HA LEU 49 HA LEU 49 -0.743 0.904 7.237 379 HG LEU 49 HG LEU 49 -1.813 1.959 9.005 380 HB2 LEU 49 2HB LEU 49 -1.669 3.236 6.440 381 HB3 LEU 49 1HB LEU 49 -3.222 2.441 6.574 382 HD11 LEU 49 1HD1 LEU 49 -0.593 4.070 8.065 383 HD12 LEU 49 2HD1 LEU 49 -1.099 4.011 9.754 384 HD13 LEU 49 3HD1 LEU 49 -2.063 4.899 8.575 385 HD21 LEU 49 3HD2 LEU 49 -3.697 3.224 9.951 386 HD22 LEU 49 1HD2 LEU 49 -4.227 2.024 8.771 387 HD23 LEU 49 2HD2 LEU 49 -4.160 3.730 8.327 388 H ALA 50 H ALA 50 -1.726 -0.690 8.373 389 HA ALA 50 HA ALA 50 -4.268 -1.716 7.367 390 HB1 ALA 50 3HB ALA 50 -2.587 -2.968 6.188 391 HB2 ALA 50 1HB ALA 50 -3.441 -3.997 7.323 392 HB3 ALA 50 2HB ALA 50 -1.822 -3.423 7.711 393 H HIS 51 H HIS 51 -5.600 -1.715 8.994 394 HA HIS 51 HA HIS 51 -4.657 -2.568 11.617 395 HD1 HIS 51 1HD HIS 51 -7.626 0.033 13.713 396 HD2 HIS 51 2HD HIS 51 -3.744 -1.399 13.305 397 HE1 HIS 51 1HE HIS 51 -6.575 0.280 15.982 398 HE2 HIS 51 2HE HIS 51 -4.202 -0.516 15.691 399 HB2 HIS 51 2HB HIS 51 -5.836 -0.167 10.996 400 HB3 HIS 51 1HB HIS 51 -7.227 -1.119 11.493 401 HA PRO 52 HA PRO 52 -7.205 -6.127 11.850 402 HB2 PRO 52 2HB PRO 52 -8.927 -4.700 13.835 403 HB3 PRO 52 1HB PRO 52 -8.225 -6.322 13.909 404 HG2 PRO 52 2HG PRO 52 -7.106 -4.339 15.254 405 HG3 PRO 52 1HG PRO 52 -6.097 -5.522 14.406 406 HD2 PRO 52 2HD PRO 52 -6.748 -2.709 13.661 407 HD3 PRO 52 1HD PRO 52 -5.252 -3.621 13.400 408 H ASP 53 H ASP 53 -8.856 -3.087 11.205 409 HA ASP 53 HA ASP 53 -10.785 -4.625 9.650 410 HB2 ASP 53 2HB ASP 53 -11.661 -3.967 12.001 411 HB3 ASP 53 1HB ASP 53 -11.806 -2.350 11.319 412 H HIS 54 H HIS 54 -8.581 -2.188 9.529 413 HA HIS 54 HA HIS 54 -9.897 -1.210 7.142 414 HD1 HIS 54 1HD HIS 54 -7.189 1.861 8.751 415 HD2 HIS 54 2HD HIS 54 -9.946 0.234 11.397 416 HE1 HIS 54 1HE HIS 54 -6.318 2.404 11.044 417 HE2 HIS 54 2HE HIS 54 -8.093 1.559 12.619 418 HB2 HIS 54 2HB HIS 54 -9.419 1.174 7.657 419 HB3 HIS 54 1HB HIS 54 -10.642 0.449 8.687 420 H VAL 55 H VAL 55 -8.464 -0.075 5.633 421 HA VAL 55 HA VAL 55 -5.620 -0.395 6.195 422 HB VAL 55 HB VAL 55 -6.758 -2.371 4.873 423 HG11 VAL 55 1HG1 VAL 55 -7.588 -0.590 3.154 424 HG12 VAL 55 2HG1 VAL 55 -7.028 -2.167 2.604 425 HG13 VAL 55 3HG1 VAL 55 -5.963 -0.767 2.493 426 HG21 VAL 55 3HG2 VAL 55 -4.372 -2.152 5.410 427 HG22 VAL 55 1HG2 VAL 55 -4.154 -1.175 3.958 428 HG23 VAL 55 2HG2 VAL 55 -4.647 -2.864 3.819 429 H LEU 56 H LEU 56 -4.366 1.146 5.306 430 HA LEU 56 HA LEU 56 -5.666 3.109 3.528 431 HG LEU 56 HG LEU 56 -6.416 4.703 5.481 432 HB2 LEU 56 2HB LEU 56 -4.382 3.479 6.086 433 HB3 LEU 56 1HB LEU 56 -3.479 4.343 4.861 434 HD11 LEU 56 1HD1 LEU 56 -4.216 6.682 5.967 435 HD12 LEU 56 2HD1 LEU 56 -4.692 5.492 7.182 436 HD13 LEU 56 3HD1 LEU 56 -5.862 6.677 6.599 437 HD21 LEU 56 3HD2 LEU 56 -4.637 5.805 3.363 438 HD22 LEU 56 1HD2 LEU 56 -5.833 6.874 4.092 439 HD23 LEU 56 2HD2 LEU 56 -6.351 5.389 3.296 440 H MET 57 H MET 57 -4.454 3.930 1.828 441 HA MET 57 HA MET 57 -1.852 2.632 1.393 442 HB2 MET 57 2HB MET 57 -3.746 3.233 -0.855 443 HB3 MET 57 1HB MET 57 -2.367 2.140 -0.839 444 HG2 MET 57 2HG MET 57 -3.549 0.641 0.680 445 HG3 MET 57 1HG MET 57 -4.931 1.741 0.684 446 HE1 MET 57 3HE MET 57 -7.081 0.341 -1.927 447 HE2 MET 57 1HE MET 57 -6.782 1.726 -0.876 448 HE3 MET 57 2HE MET 57 -6.803 0.096 -0.203 449 H ILE 58 H ILE 58 -0.289 4.142 1.420 450 HA ILE 58 HA ILE 58 -0.840 6.704 0.088 451 HB ILE 58 HB ILE 58 0.949 6.302 2.491 452 HG12 ILE 58 2HG1 ILE 58 -1.898 6.600 2.374 453 HG13 ILE 58 1HG1 ILE 58 -0.872 6.472 3.788 454 HG21 ILE 58 1HG2 ILE 58 0.041 8.826 1.122 455 HG22 ILE 58 2HG2 ILE 58 1.634 8.083 0.956 456 HG23 ILE 58 3HG2 ILE 58 1.115 8.717 2.518 457 HD11 ILE 58 3HD1 ILE 58 -0.771 8.753 4.087 458 HD12 ILE 58 1HD1 ILE 58 -2.420 8.520 3.508 459 HD13 ILE 58 2HD1 ILE 58 -1.171 9.103 2.405 460 H LEU 59 H LEU 59 0.661 7.356 -1.384 461 HA LEU 59 HA LEU 59 3.124 5.754 -1.548 462 HG LEU 59 HG LEU 59 1.411 6.802 -5.312 463 HB2 LEU 59 2HB LEU 59 3.027 5.680 -3.869 464 HB3 LEU 59 1HB LEU 59 1.377 5.382 -3.370 465 HD11 LEU 59 1HD1 LEU 59 0.049 8.621 -4.512 466 HD12 LEU 59 2HD1 LEU 59 0.654 8.381 -2.875 467 HD13 LEU 59 3HD1 LEU 59 -0.338 7.139 -3.638 468 HD21 LEU 59 3HD2 LEU 59 2.545 9.166 -4.014 469 HD22 LEU 59 1HD2 LEU 59 2.723 8.577 -5.661 470 HD23 LEU 59 2HD2 LEU 59 3.707 7.893 -4.373 471 H ASN 60 H ASN 60 5.024 6.765 -2.081 472 HA ASN 60 HA ASN 60 4.917 9.712 -2.173 473 HB2 ASN 60 2HB ASN 60 7.084 8.023 -0.892 474 HB3 ASN 60 1HB ASN 60 7.057 9.782 -0.978 475 HD21 ASN 60 1HD2 ASN 60 7.368 9.104 1.423 476 HD22 ASN 60 2HD2 ASN 60 5.919 9.093 2.363 477 H SER 61 H SER 61 5.187 10.096 -4.296 478 HA SER 61 HA SER 61 7.675 9.087 -5.505 479 HG SER 61 HG SER 61 5.629 7.119 -5.200 480 HB2 SER 61 2HB SER 61 5.401 8.945 -7.357 481 HB3 SER 61 1HB SER 61 6.732 7.818 -7.116 482 HA PRO 62 HA PRO 62 7.930 13.240 -7.043 483 HB2 PRO 62 2HB PRO 62 9.908 12.859 -8.830 484 HB3 PRO 62 1HB PRO 62 10.163 12.876 -7.084 485 HG2 PRO 62 2HG PRO 62 9.841 10.514 -8.905 486 HG3 PRO 62 1HG PRO 62 11.066 10.794 -7.650 487 HD2 PRO 62 2HD PRO 62 8.917 9.272 -7.194 488 HD3 PRO 62 1HD PRO 62 9.589 10.319 -5.933 489 H ASP 63 H ASP 63 6.859 10.600 -8.972 490 HA ASP 63 HA ASP 63 5.892 12.547 -10.933 491 HB2 ASP 63 2HB ASP 63 7.733 11.739 -12.131 492 HB3 ASP 63 1HB ASP 63 7.536 10.100 -11.525 493 H GLU 64 H GLU 64 3.860 12.004 -11.877 494 HA GLU 64 HA GLU 64 2.174 10.406 -10.249 495 HB2 GLU 64 2HB GLU 64 1.779 11.716 -12.911 496 HB3 GLU 64 1HB GLU 64 0.671 10.436 -12.448 497 HG2 GLU 64 2HG GLU 64 -0.437 12.189 -11.558 498 HG3 GLU 64 1HG GLU 64 0.594 11.783 -10.181 499 H ASP 65 H ASP 65 3.786 9.563 -13.344 500 HA ASP 65 HA ASP 65 2.648 7.101 -13.832 501 HB2 ASP 65 2HB ASP 65 4.503 8.260 -15.138 502 HB3 ASP 65 1HB ASP 65 5.624 7.600 -13.949 503 H SER 66 H SER 66 5.457 7.801 -11.799 504 HA SER 66 HA SER 66 5.710 5.245 -10.630 505 HG SER 66 HG SER 66 6.565 6.016 -8.049 506 HB2 SER 66 2HB SER 66 7.476 7.012 -10.544 507 HB3 SER 66 1HB SER 66 6.461 7.914 -9.416 508 H LEU 67 H LEU 67 4.370 8.235 -9.391 509 HA LEU 67 HA LEU 67 3.272 7.610 -7.020 510 HG LEU 67 HG LEU 67 1.049 9.326 -6.548 511 HB2 LEU 67 2HB LEU 67 3.132 9.819 -7.809 512 HB3 LEU 67 1HB LEU 67 2.313 9.341 -9.266 513 HD11 LEU 67 1HD1 LEU 67 1.519 11.458 -8.450 514 HD12 LEU 67 2HD1 LEU 67 1.040 11.530 -6.754 515 HD13 LEU 67 3HD1 LEU 67 -0.176 11.274 -8.005 516 HD21 LEU 67 3HD2 LEU 67 0.072 8.683 -9.283 517 HD22 LEU 67 1HD2 LEU 67 -1.028 9.436 -8.130 518 HD23 LEU 67 2HD2 LEU 67 -0.281 7.886 -7.749 519 H ALA 68 H ALA 68 1.400 7.295 -10.061 520 HA ALA 68 HA ALA 68 -0.722 5.895 -8.811 521 HB1 ALA 68 3HB ALA 68 0.105 6.354 -11.653 522 HB2 ALA 68 1HB ALA 68 -1.352 6.878 -10.808 523 HB3 ALA 68 2HB ALA 68 -1.170 5.191 -11.287 524 H HIS 69 H HIS 69 2.234 4.872 -10.437 525 HA HIS 69 HA HIS 69 1.722 2.148 -10.707 526 HD1 HIS 69 1HD HIS 69 6.194 2.025 -11.757 527 HD2 HIS 69 2HD HIS 69 2.862 0.007 -10.313 528 HE1 HIS 69 1HE HIS 69 6.712 -0.419 -12.041 529 HE2 HIS 69 2HE HIS 69 4.718 -1.621 -11.080 530 HB2 HIS 69 2HB HIS 69 3.740 3.401 -11.570 531 HB3 HIS 69 1HB HIS 69 4.393 3.335 -9.937 532 H MET 70 H MET 70 2.791 4.035 -7.955 533 HA MET 70 HA MET 70 3.153 1.741 -6.237 534 HB2 MET 70 2HB MET 70 2.885 4.559 -5.244 535 HB3 MET 70 1HB MET 70 3.883 3.270 -4.598 536 HG2 MET 70 2HG MET 70 4.622 4.046 -7.311 537 HG3 MET 70 1HG MET 70 4.746 5.355 -6.141 538 HE1 MET 70 3HE MET 70 5.838 1.939 -7.315 539 HE2 MET 70 1HE MET 70 7.489 1.827 -6.705 540 HE3 MET 70 2HE MET 70 7.060 3.086 -7.863 541 H GLN 71 H GLN 71 0.817 4.499 -6.158 542 HA GLN 71 HA GLN 71 -0.771 3.440 -4.145 543 HB2 GLN 71 2HB GLN 71 -2.658 4.824 -5.296 544 HB3 GLN 71 1HB GLN 71 -1.319 5.636 -4.510 545 HG2 GLN 71 2HG GLN 71 -0.781 6.653 -6.395 546 HG3 GLN 71 1HG GLN 71 -0.743 5.135 -7.282 547 HE21 GLN 71 1HE2 GLN 71 -2.812 7.734 -6.163 548 HE22 GLN 71 2HE2 GLN 71 -4.043 7.522 -7.357 549 H ASN 72 H ASN 72 -0.699 2.605 -7.530 550 HA ASN 72 HA ASN 72 -3.227 1.215 -7.419 551 HB2 ASN 72 2HB ASN 72 -2.030 2.328 -9.487 552 HB3 ASN 72 1HB ASN 72 -1.259 0.749 -9.616 553 HD21 ASN 72 1HD2 ASN 72 -4.273 2.489 -9.741 554 HD22 ASN 72 2HD2 ASN 72 -5.180 1.253 -10.538 555 H VAL 73 H VAL 73 0.207 0.310 -7.523 556 HA VAL 73 HA VAL 73 0.087 -2.401 -7.748 557 HB VAL 73 HB VAL 73 1.908 -0.607 -6.191 558 HG11 VAL 73 1HG1 VAL 73 1.825 -2.522 -4.747 559 HG12 VAL 73 2HG1 VAL 73 3.339 -2.566 -5.650 560 HG13 VAL 73 3HG1 VAL 73 2.003 -3.619 -6.117 561 HG21 VAL 73 3HG2 VAL 73 2.901 -2.575 -8.145 562 HG22 VAL 73 1HG2 VAL 73 3.318 -0.875 -7.930 563 HG23 VAL 73 2HG2 VAL 73 1.840 -1.320 -8.783 564 H VAL 74 H VAL 74 -0.521 -0.493 -4.832 565 HA VAL 74 HA VAL 74 -0.883 -2.736 -3.113 566 HB VAL 74 HB VAL 74 -1.880 0.097 -2.813 567 HG11 VAL 74 1HG1 VAL 74 -2.294 -0.374 -0.499 568 HG12 VAL 74 2HG1 VAL 74 -1.656 -2.008 -0.668 569 HG13 VAL 74 3HG1 VAL 74 -3.164 -1.564 -1.467 570 HG21 VAL 74 3HG2 VAL 74 0.129 -0.436 -0.948 571 HG22 VAL 74 1HG2 VAL 74 0.247 0.588 -2.378 572 HG23 VAL 74 2HG2 VAL 74 0.713 -1.112 -2.468 573 H ALA 75 H ALA 75 -3.179 -0.630 -4.874 574 HA ALA 75 HA ALA 75 -5.578 -1.616 -3.979 575 HB1 ALA 75 3HB ALA 75 -5.517 0.225 -5.527 576 HB2 ALA 75 1HB ALA 75 -6.487 -1.068 -6.230 577 HB3 ALA 75 2HB ALA 75 -4.837 -0.803 -6.789 578 H ASP 76 H ASP 76 -3.214 -3.126 -5.996 579 HA ASP 76 HA ASP 76 -4.924 -5.245 -6.926 580 HB2 ASP 76 2HB ASP 76 -2.691 -4.290 -7.951 581 HB3 ASP 76 1HB ASP 76 -1.942 -5.485 -6.896 582 H HIS 77 H HIS 77 -2.480 -4.870 -4.387 583 HA HIS 77 HA HIS 77 -2.374 -7.542 -3.561 584 HD1 HIS 77 1HD HIS 77 -0.824 -6.319 -4.941 585 HD2 HIS 77 2HD HIS 77 0.929 -4.643 -1.567 586 HE1 HIS 77 1HE HIS 77 1.416 -5.470 -5.699 587 HE2 HIS 77 2HE HIS 77 2.494 -4.537 -3.622 588 HB2 HIS 77 2HB HIS 77 -2.016 -5.131 -1.772 589 HB3 HIS 77 1HB HIS 77 -1.362 -6.741 -1.526 590 H LEU 78 H LEU 78 -4.545 -4.916 -2.531 591 HA LEU 78 HA LEU 78 -5.831 -6.351 -0.481 592 HG LEU 78 HG LEU 78 -5.102 -3.157 -0.779 593 HB2 LEU 78 2HB LEU 78 -6.754 -4.046 -2.198 594 HB3 LEU 78 1HB LEU 78 -7.691 -4.682 -0.862 595 HD11 LEU 78 1HD1 LEU 78 -6.301 -1.702 0.677 596 HD12 LEU 78 2HD1 LEU 78 -7.661 -2.820 0.767 597 HD13 LEU 78 3HD1 LEU 78 -7.300 -1.989 -0.746 598 HD21 LEU 78 3HD2 LEU 78 -4.531 -4.830 0.726 599 HD22 LEU 78 1HD2 LEU 78 -6.197 -5.068 1.251 600 HD23 LEU 78 2HD2 LEU 78 -5.307 -3.634 1.764 601 H GLN 79 H GLN 79 -6.146 -6.349 -3.938 602 HA GLN 79 HA GLN 79 -8.723 -7.581 -4.014 603 HB2 GLN 79 2HB GLN 79 -8.090 -6.319 -5.922 604 HB3 GLN 79 1HB GLN 79 -6.572 -7.185 -6.089 605 HG2 GLN 79 2HG GLN 79 -7.684 -9.149 -6.840 606 HG3 GLN 79 1HG GLN 79 -9.263 -8.477 -6.436 607 HE21 GLN 79 1HE2 GLN 79 -9.295 -6.052 -7.485 608 HE22 GLN 79 2HE2 GLN 79 -9.057 -6.090 -9.195 609 H ARG 80 H ARG 80 -5.395 -8.828 -4.353 610 HA ARG 80 HA ARG 80 -6.046 -11.466 -4.939 611 HE ARG 80 HE ARG 80 -1.716 -14.647 -4.133 612 HB2 ARG 80 2HB ARG 80 -3.812 -10.930 -5.262 613 HB3 ARG 80 1HB ARG 80 -3.684 -10.089 -3.725 614 HG2 ARG 80 2HG ARG 80 -3.201 -11.971 -2.575 615 HG3 ARG 80 1HG ARG 80 -4.182 -13.002 -3.620 616 HD2 ARG 80 2HD ARG 80 -2.492 -12.875 -5.362 617 HD3 ARG 80 1HD ARG 80 -1.525 -11.788 -4.366 618 HH11 ARG 80 1HH1 ARG 80 -0.968 -11.682 -2.451 619 HH12 ARG 80 2HH1 ARG 80 0.035 -12.457 -1.272 620 HH21 ARG 80 1HH2 ARG 80 -0.399 -15.669 -2.581 621 HH22 ARG 80 2HH2 ARG 80 0.359 -14.721 -1.346 622 H MET 81 H MET 81 -5.824 -9.774 -1.856 623 HA MET 81 HA MET 81 -6.217 -12.199 -0.339 624 HB2 MET 81 2HB MET 81 -6.250 -10.715 1.626 625 HB3 MET 81 1HB MET 81 -4.836 -10.486 0.617 626 HG2 MET 81 2HG MET 81 -5.495 -8.344 1.273 627 HG3 MET 81 1HG MET 81 -6.022 -8.503 -0.397 628 HE1 MET 81 3HE MET 81 -7.888 -7.218 3.166 629 HE2 MET 81 1HE MET 81 -8.070 -6.146 1.778 630 HE3 MET 81 2HE MET 81 -6.484 -6.803 2.183 631 H ALA 82 H ALA 82 -8.258 -10.003 -1.922 632 HA ALA 82 HA ALA 82 -10.569 -11.076 -0.432 633 HB1 ALA 82 3HB ALA 82 -11.644 -8.791 -1.102 634 HB2 ALA 82 1HB ALA 82 -9.969 -8.248 -1.186 635 HB3 ALA 82 2HB ALA 82 -10.610 -8.898 0.323 636 H ASN 83 H ASN 83 -11.355 -12.533 -1.844 637 HA ASN 83 HA ASN 83 -11.539 -11.837 -4.678 638 HB2 ASN 83 2HB ASN 83 -10.689 -14.114 -3.665 639 HB3 ASN 83 1HB ASN 83 -12.409 -14.484 -3.585 640 HD21 ASN 83 1HD2 ASN 83 -11.888 -16.186 -5.085 641 HD22 ASN 83 2HD2 ASN 83 -11.778 -15.832 -6.773 642 H SER 84 H SER 84 -13.316 -10.812 -5.296 643 HA SER 84 HA SER 84 -15.874 -11.858 -5.170 644 HG SER 84 HG SER 84 -14.951 -10.417 -1.740 645 HB2 SER 84 2HB SER 84 -16.750 -9.922 -3.544 646 HB3 SER 84 1HB SER 84 -16.284 -11.511 -2.938 647 H GLU 85 H GLU 85 -13.929 -8.933 -5.183 648 HA GLU 85 HA GLU 85 -15.159 -8.052 -7.629 649 HB2 GLU 85 2HB GLU 85 -15.990 -5.933 -6.833 650 HB3 GLU 85 1HB GLU 85 -16.739 -7.215 -5.892 651 HG2 GLU 85 2HG GLU 85 -14.313 -6.317 -4.628 652 HG3 GLU 85 1HG GLU 85 -15.398 -4.962 -4.939 653 H SER 86 H SER 86 -14.108 -6.013 -8.435 654 HA SER 86 HA SER 86 -11.283 -6.201 -8.053 655 HG SER 86 HG SER 86 -13.779 -5.277 -10.392 656 HB2 SER 86 2HB SER 86 -12.521 -3.842 -9.418 657 HB3 SER 86 1HB SER 86 -11.087 -4.766 -9.863 658 H LEU 87 H LEU 87 -11.520 -5.863 -5.696 659 HA LEU 87 HA LEU 87 -11.785 -4.510 -3.798 660 HG LEU 87 HG LEU 87 -8.303 -4.647 -3.116 661 HB2 LEU 87 2HB LEU 87 -9.265 -4.337 -5.144 662 HB3 LEU 87 1HB LEU 87 -9.615 -2.789 -4.397 663 HD11 LEU 87 1HD1 LEU 87 -9.401 -3.730 -0.974 664 HD12 LEU 87 2HD1 LEU 87 -10.376 -2.758 -2.077 665 HD13 LEU 87 3HD1 LEU 87 -8.619 -2.595 -2.075 666 HD21 LEU 87 3HD2 LEU 87 -11.116 -5.349 -2.308 667 HD22 LEU 87 1HD2 LEU 87 -9.617 -6.038 -1.691 668 HD23 LEU 87 2HD2 LEU 87 -10.106 -6.350 -3.352 669 H GLU 88 H GLU 88 -13.379 -3.093 -3.467 670 HA GLU 88 HA GLU 88 -13.720 -0.768 -5.110 671 HB2 GLU 88 2HB GLU 88 -15.602 -1.867 -3.890 672 HB3 GLU 88 1HB GLU 88 -14.873 -1.362 -2.371 673 HG2 GLU 88 2HG GLU 88 -15.018 1.014 -3.571 674 HG3 GLU 88 1HG GLU 88 -16.361 0.210 -4.384 675 H ILE 89 H ILE 89 -11.914 0.510 -5.068 676 HA ILE 89 HA ILE 89 -11.235 1.658 -2.463 677 HB ILE 89 HB ILE 89 -8.922 1.474 -2.738 678 HG12 ILE 89 2HG1 ILE 89 -9.025 2.175 -5.236 679 HG13 ILE 89 1HG1 ILE 89 -7.719 1.128 -4.714 680 HG21 ILE 89 1HG2 ILE 89 -9.756 -0.647 -2.140 681 HG22 ILE 89 2HG2 ILE 89 -8.509 -0.917 -3.355 682 HG23 ILE 89 3HG2 ILE 89 -10.211 -1.013 -3.802 683 HD11 ILE 89 3HD1 ILE 89 -8.852 -0.801 -5.607 684 HD12 ILE 89 1HD1 ILE 89 -8.676 0.436 -6.853 685 HD13 ILE 89 2HD1 ILE 89 -10.236 0.194 -6.066 686 H ALA 90 H ALA 90 -11.200 3.887 -2.457 687 HA ALA 90 HA ALA 90 -11.410 5.174 -5.085 688 HB1 ALA 90 3HB ALA 90 -11.817 6.550 -2.436 689 HB2 ALA 90 1HB ALA 90 -13.107 5.649 -3.237 690 HB3 ALA 90 2HB ALA 90 -12.380 7.044 -4.031 691 H TRP 91 H TRP 91 -9.546 5.741 -5.920 692 HA TRP 91 HA TRP 91 -7.316 6.479 -4.200 693 HD1 TRP 91 HD TRP 91 -8.776 4.184 -7.612 694 HE1 TRP 91 1HE TRP 91 -9.462 4.964 -9.967 695 HE3 TRP 91 3HE TRP 91 -6.121 8.547 -7.828 696 HZ2 TRP 91 2HZ TRP 91 -8.946 7.141 -11.688 697 HZ3 TRP 91 3HZ TRP 91 -6.271 9.921 -9.864 698 HH2 TRP 91 HH TRP 91 -7.655 9.230 -11.754 699 HB2 TRP 91 2HB TRP 91 -6.007 6.467 -6.321 700 HB3 TRP 91 1HB TRP 91 -6.803 4.934 -5.982 701 H GLN 92 H GLN 92 -6.553 8.483 -3.949 702 HA GLN 92 HA GLN 92 -8.061 10.664 -5.143 703 HB2 GLN 92 2HB GLN 92 -5.904 10.633 -3.025 704 HB3 GLN 92 1HB GLN 92 -6.724 12.085 -3.581 705 HG2 GLN 92 2HG GLN 92 -8.848 11.212 -2.788 706 HG3 GLN 92 1HG GLN 92 -8.055 9.725 -2.270 707 HE21 GLN 92 1HE2 GLN 92 -8.780 10.090 -0.147 708 HE22 GLN 92 2HE2 GLN 92 -8.017 11.255 0.875 709 HA PRO 93 HA PRO 93 -5.367 11.921 -8.376 710 HB2 PRO 93 2HB PRO 93 -5.178 14.530 -6.955 711 HB3 PRO 93 1HB PRO 93 -5.550 14.203 -8.651 712 HG2 PRO 93 2HG PRO 93 -7.484 14.856 -6.936 713 HG3 PRO 93 1HG PRO 93 -7.753 13.641 -8.198 714 HD2 PRO 93 2HD PRO 93 -7.369 13.282 -5.273 715 HD3 PRO 93 1HD PRO 93 -8.308 12.305 -6.420 716 H ALA 94 H ALA 94 -4.412 12.955 -5.119 717 HA ALA 94 HA ALA 94 -2.399 12.391 -4.059 718 HB1 ALA 94 3HB ALA 94 -0.581 11.467 -5.114 719 HB2 ALA 94 1HB ALA 94 -0.852 12.378 -6.598 720 HB3 ALA 94 2HB ALA 94 -1.867 10.987 -6.223 721 H GLU 95 H GLU 95 -3.580 14.917 -4.785 722 HA GLU 95 HA GLU 95 -1.352 16.612 -4.189 723 HB2 GLU 95 2HB GLU 95 -1.609 16.194 -6.839 724 HB3 GLU 95 1HB GLU 95 -2.722 17.541 -6.645 725 HG2 GLU 95 2HG GLU 95 -0.069 17.818 -5.378 726 HG3 GLU 95 1HG GLU 95 -0.121 17.849 -7.140 727 H SER 96 H SER 96 -2.019 18.870 -3.845 728 HA SER 96 HA SER 96 -4.910 19.129 -3.349 729 HG SER 96 HG SER 96 -4.316 17.851 -1.305 730 HB2 SER 96 2HB SER 96 -2.632 19.478 -1.475 731 HB3 SER 96 1HB SER 96 -3.934 20.662 -1.366 Start of MODEL 4 1 HA MET 1 HA MET 1 6.873 13.505 -5.001 2 HB2 MET 1 2HB MET 1 7.433 13.871 -2.677 3 HB3 MET 1 1HB MET 1 8.750 14.425 -3.703 4 HG2 MET 1 2HG MET 1 6.845 16.531 -3.081 5 HG3 MET 1 1HG MET 1 7.582 15.826 -1.648 6 HE1 MET 1 3HE MET 1 9.589 19.163 -2.225 7 HE2 MET 1 1HE MET 1 8.781 18.178 -1.004 8 HE3 MET 1 2HE MET 1 7.863 18.825 -2.364 9 H PHE 2 H PHE 2 4.778 13.408 -5.538 10 HA PHE 2 HA PHE 2 2.882 15.195 -4.176 11 HD1 PHE 2 2HD PHE 2 3.326 16.617 -6.598 12 HD2 PHE 2 1HD PHE 2 3.013 12.627 -8.047 13 HE1 PHE 2 2HE PHE 2 4.653 17.235 -8.575 14 HE2 PHE 2 1HE PHE 2 4.329 13.240 -10.027 15 HZ PHE 2 HZ PHE 2 5.156 15.544 -10.295 16 HB2 PHE 2 2HB PHE 2 1.874 13.216 -6.141 17 HB3 PHE 2 1HB PHE 2 1.433 14.905 -5.927 18 H ARG 3 H ARG 3 0.747 13.962 -3.466 19 HA ARG 3 HA ARG 3 1.365 11.251 -2.628 20 HE ARG 3 HE ARG 3 4.267 12.924 1.304 21 HB2 ARG 3 2HB ARG 3 1.884 13.338 -0.852 22 HB3 ARG 3 1HB ARG 3 0.358 12.649 -0.303 23 HG2 ARG 3 2HG ARG 3 1.612 11.154 0.755 24 HG3 ARG 3 1HG ARG 3 1.855 10.430 -0.825 25 HD2 ARG 3 2HD ARG 3 4.030 10.697 -0.379 26 HD3 ARG 3 1HD ARG 3 3.749 12.375 -0.834 27 HH11 ARG 3 1HH1 ARG 3 2.940 9.693 1.338 28 HH12 ARG 3 2HH1 ARG 3 3.092 9.518 3.054 29 HH21 ARG 3 1HH2 ARG 3 4.469 12.689 3.558 30 HH22 ARG 3 2HH2 ARG 3 3.959 11.216 4.313 31 H SER 4 H SER 4 -0.312 9.986 -2.805 32 HA SER 4 HA SER 4 -3.040 11.090 -2.718 33 HG SER 4 HG SER 4 -3.263 7.670 -4.095 34 HB2 SER 4 2HB SER 4 -2.939 10.256 -4.882 35 HB3 SER 4 1HB SER 4 -1.722 9.045 -4.468 36 H THR 5 H THR 5 -4.692 9.483 -1.911 37 HA THR 5 HA THR 5 -3.552 7.413 -0.222 38 HB THR 5 HB THR 5 -4.583 8.146 1.818 39 HG1 THR 5 1HG THR 5 -6.419 9.132 1.306 40 HG21 THR 5 3HG2 THR 5 -3.468 10.742 0.877 41 HG22 THR 5 1HG2 THR 5 -2.406 9.341 1.026 42 HG23 THR 5 2HG2 THR 5 -3.292 9.930 2.429 43 H SER 6 H SER 6 -4.676 5.615 -0.308 44 HA SER 6 HA SER 6 -7.485 5.760 -1.197 45 HG SER 6 HG SER 6 -7.987 3.090 -1.334 46 HB2 SER 6 2HB SER 6 -5.917 4.484 -2.660 47 HB3 SER 6 1HB SER 6 -5.605 3.387 -1.315 48 H HIS 7 H HIS 7 -9.076 5.060 0.119 49 HA HIS 7 HA HIS 7 -8.286 3.676 2.606 50 HD1 HIS 7 1HD HIS 7 -9.745 6.194 5.404 51 HD2 HIS 7 2HD HIS 7 -11.519 2.868 3.656 52 HE1 HIS 7 1HE HIS 7 -10.943 5.012 7.270 53 HE2 HIS 7 2HE HIS 7 -11.938 2.958 6.204 54 HB2 HIS 7 2HB HIS 7 -9.106 5.953 3.026 55 HB3 HIS 7 1HB HIS 7 -10.603 5.576 2.184 56 H VAL 8 H VAL 8 -9.185 1.735 3.032 57 HA VAL 8 HA VAL 8 -11.681 0.985 1.682 58 HB VAL 8 HB VAL 8 -9.454 -1.021 1.785 59 HG11 VAL 8 1HG1 VAL 8 -11.724 -0.696 -0.171 60 HG12 VAL 8 2HG1 VAL 8 -11.809 -1.679 1.293 61 HG13 VAL 8 3HG1 VAL 8 -10.660 -2.089 0.020 62 HG21 VAL 8 3HG2 VAL 8 -9.896 0.820 -0.561 63 HG22 VAL 8 1HG2 VAL 8 -8.657 -0.422 -0.383 64 HG23 VAL 8 2HG2 VAL 8 -8.601 1.026 0.620 65 H ARG 9 H ARG 9 -12.822 -0.781 2.722 66 HA ARG 9 HA ARG 9 -12.043 -1.035 5.541 67 HE ARG 9 HE ARG 9 -14.066 2.877 6.607 68 HB2 ARG 9 2HB ARG 9 -14.659 -1.125 4.135 69 HB3 ARG 9 1HB ARG 9 -14.472 -2.173 5.532 70 HG2 ARG 9 2HG ARG 9 -15.437 -0.107 6.243 71 HG3 ARG 9 1HG ARG 9 -13.788 -0.206 6.867 72 HD2 ARG 9 2HD ARG 9 -12.985 1.344 5.292 73 HD3 ARG 9 1HD ARG 9 -14.434 1.207 4.297 74 HH11 ARG 9 1HH1 ARG 9 -16.410 1.249 4.598 75 HH12 ARG 9 2HH1 ARG 9 -17.705 2.312 5.031 76 HH21 ARG 9 1HH2 ARG 9 -15.769 4.276 7.178 77 HH22 ARG 9 2HH2 ARG 9 -17.342 4.032 6.497 78 H THR 10 H THR 10 -10.723 -2.722 5.841 79 HA THR 10 HA THR 10 -11.569 -5.333 4.783 80 HB THR 10 HB THR 10 -9.314 -3.941 3.941 81 HG1 THR 10 1HG THR 10 -10.352 -5.589 2.799 82 HG21 THR 10 3HG2 THR 10 -8.392 -4.865 6.234 83 HG22 THR 10 1HG2 THR 10 -7.412 -4.839 4.763 84 HG23 THR 10 2HG2 THR 10 -8.203 -6.334 5.269 85 H GLU 11 H GLU 11 -10.821 -7.202 6.030 86 HA GLU 11 HA GLU 11 -10.482 -6.501 8.869 87 HB2 GLU 11 2HB GLU 11 -12.184 -8.339 7.522 88 HB3 GLU 11 1HB GLU 11 -11.088 -9.266 8.538 89 HG2 GLU 11 2HG GLU 11 -12.161 -8.669 10.382 90 HG3 GLU 11 1HG GLU 11 -12.112 -6.963 9.934 91 H SER 12 H SER 12 -8.895 -7.490 10.157 92 HA SER 12 HA SER 12 -6.861 -8.354 10.648 93 HG SER 12 HG SER 12 -5.507 -10.414 8.528 94 HB2 SER 12 2HB SER 12 -7.771 -10.491 10.221 95 HB3 SER 12 1HB SER 12 -7.729 -10.254 8.474 96 H ALA 13 H ALA 13 -7.139 -6.245 8.634 97 HA ALA 13 HA ALA 13 -5.417 -6.385 6.476 98 HB1 ALA 13 3HB ALA 13 -5.665 -4.007 8.251 99 HB2 ALA 13 1HB ALA 13 -6.901 -4.474 7.095 100 HB3 ALA 13 2HB ALA 13 -5.293 -4.022 6.536 101 H ALA 14 H ALA 14 -4.553 -5.291 9.734 102 HA ALA 14 HA ALA 14 -1.976 -4.543 9.445 103 HB1 ALA 14 3HB ALA 14 -3.144 -4.420 11.536 104 HB2 ALA 14 1HB ALA 14 -1.588 -5.223 11.764 105 HB3 ALA 14 2HB ALA 14 -3.074 -6.175 11.720 106 H ARG 15 H ARG 15 -2.992 -7.914 9.227 107 HA ARG 15 HA ARG 15 -0.282 -8.880 9.470 108 HE ARG 15 HE ARG 15 -1.458 -13.241 6.881 109 HB2 ARG 15 2HB ARG 15 -2.425 -10.132 10.132 110 HB3 ARG 15 1HB ARG 15 -2.612 -10.472 8.419 111 HG2 ARG 15 2HG ARG 15 -0.159 -11.163 10.008 112 HG3 ARG 15 1HG ARG 15 -1.505 -12.268 9.747 113 HD2 ARG 15 2HD ARG 15 -0.630 -11.146 7.248 114 HD3 ARG 15 1HD ARG 15 0.731 -11.862 8.098 115 HH11 ARG 15 1HH1 ARG 15 0.896 -13.405 9.451 116 HH12 ARG 15 2HH1 ARG 15 0.869 -15.135 9.534 117 HH21 ARG 15 1HH2 ARG 15 -1.495 -15.515 6.988 118 HH22 ARG 15 2HH2 ARG 15 -0.488 -16.333 8.135 119 H TYR 16 H TYR 16 -2.571 -8.316 6.849 120 HA TYR 16 HA TYR 16 -0.949 -9.440 4.816 121 HD1 TYR 16 2HD TYR 16 -2.547 -10.849 5.060 122 HD2 TYR 16 1HD TYR 16 -5.208 -7.804 3.716 123 HE1 TYR 16 2HE TYR 16 -4.419 -12.404 5.245 124 HE2 TYR 16 1HE TYR 16 -7.088 -9.366 3.907 125 HH TYR 16 HH TYR 16 -7.654 -11.427 5.133 126 HB2 TYR 16 2HB TYR 16 -2.982 -7.214 4.556 127 HB3 TYR 16 1HB TYR 16 -2.297 -8.135 3.226 128 H VAL 17 H VAL 17 -0.757 -6.489 6.597 129 HA VAL 17 HA VAL 17 1.001 -5.187 4.710 130 HB VAL 17 HB VAL 17 -0.012 -4.471 7.432 131 HG11 VAL 17 1HG1 VAL 17 2.665 -3.750 6.428 132 HG12 VAL 17 2HG1 VAL 17 2.023 -3.716 8.073 133 HG13 VAL 17 3HG1 VAL 17 1.668 -2.402 6.960 134 HG21 VAL 17 3HG2 VAL 17 0.334 -2.835 4.943 135 HG22 VAL 17 1HG2 VAL 17 -0.619 -2.430 6.371 136 HG23 VAL 17 2HG2 VAL 17 -1.117 -3.764 5.325 137 H ASN 18 H ASN 18 1.292 -6.976 7.749 138 HA ASN 18 HA ASN 18 4.106 -6.686 7.944 139 HB2 ASN 18 2HB ASN 18 2.377 -8.835 9.177 140 HB3 ASN 18 1HB ASN 18 3.979 -8.336 9.710 141 HD21 ASN 18 1HD2 ASN 18 2.339 -8.285 11.655 142 HD22 ASN 18 2HD2 ASN 18 1.728 -6.710 12.016 143 H ARG 19 H ARG 19 2.026 -8.993 6.293 144 HA ARG 19 HA ARG 19 4.133 -10.896 5.885 145 HE ARG 19 HE ARG 19 1.440 -15.489 5.605 146 HB2 ARG 19 2HB ARG 19 1.445 -11.079 5.822 147 HB3 ARG 19 1HB ARG 19 1.780 -10.950 4.100 148 HG2 ARG 19 2HG ARG 19 2.288 -13.096 4.053 149 HG3 ARG 19 1HG ARG 19 3.623 -12.793 5.163 150 HD2 ARG 19 2HD ARG 19 2.158 -13.120 7.063 151 HD3 ARG 19 1HD ARG 19 0.777 -13.330 5.987 152 HH11 ARG 19 1HH1 ARG 19 4.065 -13.744 7.102 153 HH12 ARG 19 2HH1 ARG 19 5.034 -15.159 7.342 154 HH21 ARG 19 1HH2 ARG 19 2.712 -17.350 5.920 155 HH22 ARG 19 2HH2 ARG 19 4.266 -17.206 6.671 156 H LEU 20 H LEU 20 3.180 -8.010 4.287 157 HA LEU 20 HA LEU 20 4.029 -8.671 1.666 158 HG LEU 20 HG LEU 20 1.627 -6.780 2.924 159 HB2 LEU 20 2HB LEU 20 3.825 -5.981 3.004 160 HB3 LEU 20 1HB LEU 20 4.080 -6.224 1.289 161 HD11 LEU 20 1HD1 LEU 20 0.587 -5.224 1.522 162 HD12 LEU 20 2HD1 LEU 20 1.824 -5.390 0.274 163 HD13 LEU 20 3HD1 LEU 20 2.196 -4.541 1.774 164 HD21 LEU 20 3HD2 LEU 20 1.756 -8.768 1.641 165 HD22 LEU 20 1HD2 LEU 20 2.318 -7.903 0.209 166 HD23 LEU 20 2HD2 LEU 20 0.658 -7.707 0.763 167 H CYS 21 H CYS 21 5.684 -6.954 4.314 168 HA CYS 21 HA CYS 21 8.037 -6.351 2.960 169 HG CYS 21 HG CYS 21 8.384 -7.905 6.821 170 HB2 CYS 21 2HB CYS 21 9.113 -6.244 5.166 171 HB3 CYS 21 1HB CYS 21 7.526 -5.484 5.209 172 H LYS 22 H LYS 22 7.029 -9.296 4.562 173 HA LYS 22 HA LYS 22 9.552 -10.622 4.125 174 HB2 LYS 22 2HB LYS 22 6.888 -11.765 4.974 175 HB3 LYS 22 1HB LYS 22 8.440 -12.586 5.059 176 HG2 LYS 22 2HG LYS 22 8.973 -11.613 6.996 177 HG3 LYS 22 1HG LYS 22 8.434 -10.023 6.456 178 HD2 LYS 22 2HD LYS 22 7.042 -10.626 8.280 179 HD3 LYS 22 1HD LYS 22 6.069 -10.831 6.821 180 HE2 LYS 22 2HE LYS 22 5.639 -12.744 8.098 181 HE3 LYS 22 1HE LYS 22 6.799 -13.270 6.879 182 HZ1 LYS 22 3HZ LYS 22 7.132 -12.985 9.762 183 HZ2 LYS 22 1HZ LYS 22 8.466 -12.584 8.800 184 HZ3 LYS 22 2HZ LYS 22 7.789 -14.130 8.706 185 H HIS 23 H HIS 23 6.643 -10.112 2.376 186 HA HIS 23 HA HIS 23 6.953 -12.408 0.654 187 HD1 HIS 23 1HD HIS 23 3.012 -12.799 0.209 188 HD2 HIS 23 2HD HIS 23 6.008 -11.597 -2.406 189 HE1 HIS 23 1HE HIS 23 2.491 -13.930 -1.975 190 HE2 HIS 23 2HE HIS 23 4.367 -13.259 -3.516 191 HB2 HIS 23 2HB HIS 23 4.723 -11.419 1.339 192 HB3 HIS 23 1HB HIS 23 5.078 -10.085 0.246 193 H TRP 24 H TRP 24 6.847 -8.866 0.015 194 HA TRP 24 HA TRP 24 8.164 -9.341 -2.532 195 HD1 TRP 24 HD TRP 24 4.598 -6.581 -1.541 196 HE1 TRP 24 1HE TRP 24 2.812 -7.637 -3.064 197 HE3 TRP 24 3HE TRP 24 7.628 -9.498 -4.449 198 HZ2 TRP 24 2HZ TRP 24 2.702 -9.465 -5.213 199 HZ3 TRP 24 3HZ TRP 24 6.602 -10.871 -6.215 200 HH2 TRP 24 HH TRP 24 4.190 -10.853 -6.587 201 HB2 TRP 24 2HB TRP 24 7.118 -6.823 -1.235 202 HB3 TRP 24 1HB TRP 24 7.867 -6.876 -2.828 203 H GLY 25 H GLY 25 9.206 -8.708 0.652 204 HA2 GLY 25 2HA GLY 25 11.418 -7.012 0.089 205 HA3 GLY 25 1HA GLY 25 11.215 -8.003 1.520 206 H HIS 26 H HIS 26 11.878 -8.449 -1.951 207 HA HIS 26 HA HIS 26 13.826 -10.523 -1.197 208 HD1 HIS 26 1HD HIS 26 14.712 -12.451 -1.896 209 HD2 HIS 26 2HD HIS 26 10.821 -13.045 -3.231 210 HE1 HIS 26 1HE HIS 26 14.227 -14.886 -1.494 211 HE2 HIS 26 2HE HIS 26 11.839 -15.202 -2.231 212 HB2 HIS 26 2HB HIS 26 11.736 -10.478 -3.166 213 HB3 HIS 26 1HB HIS 26 13.288 -10.666 -3.975 214 H LYS 27 H LYS 27 13.330 -7.529 -2.904 215 HA LYS 27 HA LYS 27 16.224 -7.252 -3.196 216 HB2 LYS 27 2HB LYS 27 15.652 -8.275 -5.304 217 HB3 LYS 27 1HB LYS 27 14.305 -7.176 -5.536 218 HG2 LYS 27 2HG LYS 27 16.888 -5.824 -5.254 219 HG3 LYS 27 1HG LYS 27 16.783 -6.906 -6.642 220 HD2 LYS 27 2HD LYS 27 14.529 -5.032 -6.113 221 HD3 LYS 27 1HD LYS 27 16.018 -4.394 -6.811 222 HE2 LYS 27 2HE LYS 27 15.316 -6.799 -8.176 223 HE3 LYS 27 1HE LYS 27 13.901 -5.747 -8.114 224 HZ1 LYS 27 3HZ LYS 27 15.432 -3.941 -8.937 225 HZ2 LYS 27 1HZ LYS 27 15.062 -5.160 -10.050 226 HZ3 LYS 27 2HZ LYS 27 16.562 -5.155 -9.268 227 H PHE 28 H PHE 28 13.782 -6.001 -1.798 228 HA PHE 28 HA PHE 28 14.563 -3.247 -2.391 229 HD1 PHE 28 2HD PHE 28 13.273 -1.377 -4.020 230 HD2 PHE 28 1HD PHE 28 11.751 -5.324 -4.475 231 HE1 PHE 28 2HE PHE 28 13.369 -1.129 -6.468 232 HE2 PHE 28 1HE PHE 28 11.846 -5.084 -6.923 233 HZ PHE 28 HZ PHE 28 12.658 -2.985 -7.921 234 HB2 PHE 28 2HB PHE 28 11.734 -4.288 -2.358 235 HB3 PHE 28 1HB PHE 28 12.123 -2.580 -2.171 236 H GLU 29 H GLU 29 13.831 -1.713 -0.696 237 HA GLU 29 HA GLU 29 14.343 -2.901 1.893 238 HB2 GLU 29 2HB GLU 29 14.366 -0.576 2.721 239 HB3 GLU 29 1HB GLU 29 15.450 -0.812 1.358 240 HG2 GLU 29 2HG GLU 29 13.931 0.282 -0.125 241 HG3 GLU 29 1HG GLU 29 12.690 0.356 1.124 242 H VAL 30 H VAL 30 12.743 -3.812 2.983 243 HA VAL 30 HA VAL 30 10.120 -2.479 2.957 244 HB VAL 30 HB VAL 30 9.471 -5.030 3.651 245 HG11 VAL 30 1HG1 VAL 30 9.463 -3.629 1.011 246 HG12 VAL 30 2HG1 VAL 30 8.117 -3.999 2.093 247 HG13 VAL 30 3HG1 VAL 30 8.873 -5.283 1.152 248 HG21 VAL 30 3HG2 VAL 30 11.902 -5.622 3.082 249 HG22 VAL 30 1HG2 VAL 30 11.399 -5.445 1.400 250 HG23 VAL 30 2HG2 VAL 30 10.612 -6.636 2.436 251 H GLU 31 H GLU 31 9.675 -1.598 4.868 252 HA GLU 31 HA GLU 31 10.880 -2.702 7.286 253 HB2 GLU 31 2HB GLU 31 10.357 -0.104 6.443 254 HB3 GLU 31 1HB GLU 31 9.119 -0.407 7.653 255 HG2 GLU 31 2HG GLU 31 10.930 -1.129 9.210 256 HG3 GLU 31 1HG GLU 31 12.099 -0.590 8.005 257 H LEU 32 H LEU 32 9.546 -3.121 9.182 258 HA LEU 32 HA LEU 32 6.720 -3.640 8.580 259 HG LEU 32 HG LEU 32 5.938 -6.309 8.475 260 HB2 LEU 32 2HB LEU 32 8.195 -5.684 8.269 261 HB3 LEU 32 1HB LEU 32 8.449 -5.657 10.001 262 HD11 LEU 32 1HD1 LEU 32 6.153 -8.057 10.521 263 HD12 LEU 32 2HD1 LEU 32 7.852 -7.679 10.236 264 HD13 LEU 32 3HD1 LEU 32 6.856 -8.308 8.924 265 HD21 LEU 32 3HD2 LEU 32 6.140 -5.413 11.349 266 HD22 LEU 32 1HD2 LEU 32 4.793 -6.362 10.722 267 HD23 LEU 32 2HD2 LEU 32 5.110 -4.753 10.078 268 H THR 33 H THR 33 5.688 -2.382 9.952 269 HA THR 33 HA THR 33 6.411 -2.562 12.824 270 HB THR 33 HB THR 33 5.384 -0.140 12.847 271 HG1 THR 33 1HG THR 33 4.932 -0.292 10.525 272 HG21 THR 33 3HG2 THR 33 8.163 -0.820 11.966 273 HG22 THR 33 1HG2 THR 33 7.597 -0.317 13.558 274 HG23 THR 33 2HG2 THR 33 7.647 0.845 12.232 275 HA PRO 34 HA PRO 34 2.133 -3.526 13.301 276 HB2 PRO 34 2HB PRO 34 1.520 -2.499 15.715 277 HB3 PRO 34 1HB PRO 34 2.591 -3.884 15.512 278 HG2 PRO 34 2HG PRO 34 3.274 -1.030 16.044 279 HG3 PRO 34 1HG PRO 34 4.016 -2.500 16.696 280 HD2 PRO 34 2HD PRO 34 5.064 -1.013 14.627 281 HD3 PRO 34 1HD PRO 34 5.410 -2.732 14.901 282 H GLU 35 H GLU 35 2.439 -1.390 11.628 283 HA GLU 35 HA GLU 35 -0.022 0.036 12.048 284 HB2 GLU 35 2HB GLU 35 2.600 1.538 11.870 285 HB3 GLU 35 1HB GLU 35 1.006 2.275 11.777 286 HG2 GLU 35 2HG GLU 35 2.081 0.755 14.141 287 HG3 GLU 35 1HG GLU 35 2.056 2.509 13.982 288 H ARG 36 H ARG 36 2.880 -0.449 10.027 289 HA ARG 36 HA ARG 36 1.307 -0.770 7.705 290 HE ARG 36 HE ARG 36 1.258 4.634 8.689 291 HB2 ARG 36 2HB ARG 36 2.228 1.216 6.464 292 HB3 ARG 36 1HB ARG 36 1.041 1.597 7.702 293 HG2 ARG 36 2HG ARG 36 3.854 1.618 8.572 294 HG3 ARG 36 1HG ARG 36 3.386 2.877 7.427 295 HD2 ARG 36 2HD ARG 36 1.438 2.520 9.556 296 HD3 ARG 36 1HD ARG 36 3.038 2.931 10.170 297 HH11 ARG 36 1HH1 ARG 36 4.584 4.041 9.560 298 HH12 ARG 36 2HH1 ARG 36 5.074 5.681 9.306 299 HH21 ARG 36 1HH2 ARG 36 1.900 6.793 8.352 300 HH22 ARG 36 2HH2 ARG 36 3.550 7.245 8.621 301 H GLY 37 H GLY 37 2.634 -0.818 5.692 302 HA2 GLY 37 2HA GLY 37 5.272 -1.997 6.292 303 HA3 GLY 37 1HA GLY 37 4.253 -2.461 4.936 304 H PHE 38 H PHE 38 6.995 -0.729 5.629 305 HA PHE 38 HA PHE 38 6.504 1.346 3.614 306 HD1 PHE 38 1HD PHE 38 7.240 3.730 3.599 307 HD2 PHE 38 2HD PHE 38 10.773 1.802 5.030 308 HE1 PHE 38 1HE PHE 38 8.627 5.495 2.601 309 HE2 PHE 38 2HE PHE 38 12.148 3.561 4.010 310 HZ PHE 38 HZ PHE 38 11.075 5.411 2.792 311 HB2 PHE 38 2HB PHE 38 7.424 2.066 5.756 312 HB3 PHE 38 1HB PHE 38 8.748 0.926 5.602 313 H ILE 39 H ILE 39 7.096 0.964 1.592 314 HA ILE 39 HA ILE 39 9.455 -0.752 1.110 315 HB ILE 39 HB ILE 39 7.116 -0.808 -0.775 316 HG12 ILE 39 2HG1 ILE 39 7.449 -2.369 1.779 317 HG13 ILE 39 1HG1 ILE 39 6.005 -1.595 1.142 318 HG21 ILE 39 1HG2 ILE 39 8.569 -3.256 -0.586 319 HG22 ILE 39 2HG2 ILE 39 9.716 -1.930 -0.733 320 HG23 ILE 39 3HG2 ILE 39 8.453 -2.138 -1.943 321 HD11 ILE 39 3HD1 ILE 39 5.916 -4.054 1.092 322 HD12 ILE 39 1HD1 ILE 39 7.273 -4.056 -0.034 323 HD13 ILE 39 2HD1 ILE 39 5.739 -3.320 -0.501 324 H ASP 40 H ASP 40 10.967 0.581 0.191 325 HA ASP 40 HA ASP 40 9.994 2.627 -1.683 326 HB2 ASP 40 2HB ASP 40 11.358 4.050 -0.636 327 HB3 ASP 40 1HB ASP 40 11.963 2.768 0.402 328 H PHE 41 H PHE 41 10.361 2.434 -3.751 329 HA PHE 41 HA PHE 41 11.902 0.186 -4.743 330 HD1 PHE 41 2HD PHE 41 12.054 2.105 -8.110 331 HD2 PHE 41 1HD PHE 41 9.865 -1.259 -6.698 332 HE1 PHE 41 2HE PHE 41 12.648 0.865 -10.153 333 HE2 PHE 41 1HE PHE 41 10.451 -2.504 -8.738 334 HZ PHE 41 HZ PHE 41 11.845 -1.441 -10.469 335 HB2 PHE 41 2HB PHE 41 9.639 0.861 -5.641 336 HB3 PHE 41 1HB PHE 41 10.398 2.298 -6.306 337 H GLY 42 H GLY 42 12.310 3.528 -4.223 338 HA2 GLY 42 2HA GLY 42 14.899 3.903 -4.479 339 HA3 GLY 42 1HA GLY 42 14.463 3.800 -6.178 340 H ASP 43 H ASP 43 13.193 5.447 -7.111 341 HA ASP 43 HA ASP 43 13.392 7.998 -5.702 342 HB2 ASP 43 2HB ASP 43 13.938 7.334 -8.291 343 HB3 ASP 43 1HB ASP 43 12.303 7.969 -8.447 344 H SER 44 H SER 44 11.614 6.780 -4.363 345 HA SER 44 HA SER 44 9.314 8.188 -4.274 346 HG SER 44 HG SER 44 6.760 6.120 -5.823 347 HB2 SER 44 2HB SER 44 8.710 7.412 -6.524 348 HB3 SER 44 1HB SER 44 8.881 5.744 -6.010 349 H ASN 45 H ASN 45 7.380 6.132 -3.628 350 HA ASN 45 HA ASN 45 8.578 4.158 -1.977 351 HB2 ASN 45 2HB ASN 45 8.217 6.782 -0.822 352 HB3 ASN 45 1HB ASN 45 7.226 5.598 0.029 353 HD21 ASN 45 1HD2 ASN 45 10.104 7.072 0.079 354 HD22 ASN 45 2HD2 ASN 45 11.060 5.868 0.868 355 H CYS 46 H CYS 46 6.869 3.131 -0.505 356 HA CYS 46 HA CYS 46 4.139 3.624 -1.302 357 HG CYS 46 HG CYS 46 5.976 1.534 -4.041 358 HB2 CYS 46 2HB CYS 46 4.466 0.812 -1.629 359 HB3 CYS 46 1HB CYS 46 3.927 1.999 -2.808 360 H GLU 47 H GLU 47 3.434 3.880 0.730 361 HA GLU 47 HA GLU 47 4.147 1.882 2.749 362 HB2 GLU 47 2HB GLU 47 4.272 4.545 2.938 363 HB3 GLU 47 1HB GLU 47 2.594 4.344 3.419 364 HG2 GLU 47 2HG GLU 47 3.154 3.260 5.379 365 HG3 GLU 47 1HG GLU 47 4.729 2.742 4.773 366 H LEU 48 H LEU 48 2.467 0.965 4.083 367 HA LEU 48 HA LEU 48 -0.253 1.208 3.014 368 HG LEU 48 HG LEU 48 -0.971 -2.048 3.916 369 HB2 LEU 48 2HB LEU 48 0.697 -0.691 1.821 370 HB3 LEU 48 1HB LEU 48 1.210 -1.427 3.326 371 HD11 LEU 48 1HD1 LEU 48 -2.346 -0.227 3.658 372 HD12 LEU 48 2HD1 LEU 48 -2.912 -1.274 2.358 373 HD13 LEU 48 3HD1 LEU 48 -1.830 0.070 1.998 374 HD21 LEU 48 3HD2 LEU 48 -0.421 -2.401 1.000 375 HD22 LEU 48 1HD2 LEU 48 -1.906 -3.029 1.713 376 HD23 LEU 48 2HD2 LEU 48 -0.340 -3.580 2.309 377 H LEU 49 H LEU 49 -1.516 1.714 4.648 378 HA LEU 49 HA LEU 49 -0.762 0.942 7.373 379 HG LEU 49 HG LEU 49 -1.989 1.881 9.143 380 HB2 LEU 49 2HB LEU 49 -1.655 3.287 6.632 381 HB3 LEU 49 1HB LEU 49 -3.224 2.508 6.697 382 HD11 LEU 49 1HD1 LEU 49 -0.533 3.930 8.282 383 HD12 LEU 49 2HD1 LEU 49 -0.978 3.733 9.977 384 HD13 LEU 49 3HD1 LEU 49 -1.892 4.836 8.949 385 HD21 LEU 49 3HD2 LEU 49 -3.739 3.407 10.044 386 HD22 LEU 49 1HD2 LEU 49 -4.347 2.227 8.883 387 HD23 LEU 49 2HD2 LEU 49 -4.097 3.902 8.391 388 H ALA 50 H ALA 50 -1.747 -0.664 8.486 389 HA ALA 50 HA ALA 50 -4.293 -1.666 7.467 390 HB1 ALA 50 3HB ALA 50 -2.596 -2.919 6.296 391 HB2 ALA 50 1HB ALA 50 -3.485 -3.948 7.405 392 HB3 ALA 50 2HB ALA 50 -1.867 -3.398 7.829 393 H HIS 51 H HIS 51 -5.632 -1.661 9.088 394 HA HIS 51 HA HIS 51 -4.703 -2.514 11.715 395 HD1 HIS 51 1HD HIS 51 -7.704 0.032 13.806 396 HD2 HIS 51 2HD HIS 51 -3.781 -1.281 13.387 397 HE1 HIS 51 1HE HIS 51 -6.657 0.303 16.075 398 HE2 HIS 51 2HE HIS 51 -4.309 -0.573 15.815 399 HB2 HIS 51 2HB HIS 51 -5.893 -0.118 11.081 400 HB3 HIS 51 1HB HIS 51 -7.279 -1.076 11.579 401 HA PRO 52 HA PRO 52 -7.241 -6.085 11.940 402 HB2 PRO 52 2HB PRO 52 -8.975 -4.656 13.914 403 HB3 PRO 52 1HB PRO 52 -8.273 -6.277 13.994 404 HG2 PRO 52 2HG PRO 52 -7.163 -4.291 15.341 405 HG3 PRO 52 1HG PRO 52 -6.148 -5.473 14.500 406 HD2 PRO 52 2HD PRO 52 -6.798 -2.662 13.747 407 HD3 PRO 52 1HD PRO 52 -5.300 -3.574 13.493 408 H ASP 53 H ASP 53 -8.891 -3.052 11.275 409 HA ASP 53 HA ASP 53 -10.810 -4.597 9.713 410 HB2 ASP 53 2HB ASP 53 -11.788 -2.349 11.468 411 HB3 ASP 53 1HB ASP 53 -12.742 -3.540 10.589 412 H HIS 54 H HIS 54 -8.608 -2.165 9.598 413 HA HIS 54 HA HIS 54 -9.907 -1.185 7.202 414 HD1 HIS 54 1HD HIS 54 -7.251 1.947 8.804 415 HD2 HIS 54 2HD HIS 54 -9.928 0.212 11.464 416 HE1 HIS 54 1HE HIS 54 -6.365 2.485 11.094 417 HE2 HIS 54 2HE HIS 54 -8.090 1.566 12.680 418 HB2 HIS 54 2HB HIS 54 -9.452 1.197 7.721 419 HB3 HIS 54 1HB HIS 54 -10.666 0.466 8.757 420 H VAL 55 H VAL 55 -8.460 -0.034 5.711 421 HA VAL 55 HA VAL 55 -5.622 -0.351 6.297 422 HB VAL 55 HB VAL 55 -6.738 -2.337 4.979 423 HG11 VAL 55 1HG1 VAL 55 -7.023 -2.148 2.717 424 HG12 VAL 55 2HG1 VAL 55 -5.935 -0.767 2.585 425 HG13 VAL 55 3HG1 VAL 55 -7.556 -0.552 3.244 426 HG21 VAL 55 3HG2 VAL 55 -4.622 -2.830 3.943 427 HG22 VAL 55 1HG2 VAL 55 -4.354 -2.099 5.524 428 HG23 VAL 55 2HG2 VAL 55 -4.138 -1.137 4.060 429 H LEU 56 H LEU 56 -4.355 1.183 5.403 430 HA LEU 56 HA LEU 56 -5.643 3.135 3.604 431 HG LEU 56 HG LEU 56 -6.428 4.728 5.538 432 HB2 LEU 56 2HB LEU 56 -4.384 3.524 6.170 433 HB3 LEU 56 1HB LEU 56 -3.481 4.389 4.949 434 HD11 LEU 56 1HD1 LEU 56 -4.271 6.743 6.049 435 HD12 LEU 56 2HD1 LEU 56 -4.704 5.527 7.253 436 HD13 LEU 56 3HD1 LEU 56 -5.913 6.680 6.690 437 HD21 LEU 56 3HD2 LEU 56 -4.622 5.865 3.455 438 HD22 LEU 56 1HD2 LEU 56 -5.860 6.901 4.159 439 HD23 LEU 56 2HD2 LEU 56 -6.323 5.409 3.347 440 H MET 57 H MET 57 -4.401 3.979 1.929 441 HA MET 57 HA MET 57 -1.790 2.694 1.517 442 HB2 MET 57 2HB MET 57 -3.669 3.251 -0.753 443 HB3 MET 57 1HB MET 57 -2.292 2.156 -0.705 444 HG2 MET 57 2HG MET 57 -3.495 0.676 0.815 445 HG3 MET 57 1HG MET 57 -4.870 1.783 0.803 446 HE1 MET 57 3HE MET 57 -6.727 1.696 -0.655 447 HE2 MET 57 1HE MET 57 -6.732 0.024 -0.093 448 HE3 MET 57 2HE MET 57 -7.021 0.383 -1.796 449 H ILE 58 H ILE 58 -0.249 4.231 1.536 450 HA ILE 58 HA ILE 58 -0.830 6.771 0.173 451 HB ILE 58 HB ILE 58 0.938 6.438 2.599 452 HG12 ILE 58 2HG1 ILE 58 -1.916 6.625 2.457 453 HG13 ILE 58 1HG1 ILE 58 -0.898 6.531 3.879 454 HG21 ILE 58 1HG2 ILE 58 0.986 8.868 2.629 455 HG22 ILE 58 2HG2 ILE 58 -0.043 8.915 1.196 456 HG23 ILE 58 3HG2 ILE 58 1.586 8.242 1.093 457 HD11 ILE 58 3HD1 ILE 58 -2.529 8.524 3.565 458 HD12 ILE 58 1HD1 ILE 58 -1.259 9.160 2.518 459 HD13 ILE 58 2HD1 ILE 58 -0.911 8.801 4.208 460 H LEU 59 H LEU 59 0.734 7.510 -1.220 461 HA LEU 59 HA LEU 59 3.217 5.936 -1.344 462 HG LEU 59 HG LEU 59 1.516 6.892 -5.143 463 HB2 LEU 59 2HB LEU 59 3.175 5.866 -3.676 464 HB3 LEU 59 1HB LEU 59 1.539 5.482 -3.193 465 HD11 LEU 59 1HD1 LEU 59 0.649 8.448 -2.728 466 HD12 LEU 59 2HD1 LEU 59 -0.265 7.146 -3.485 467 HD13 LEU 59 3HD1 LEU 59 0.050 8.637 -4.372 468 HD21 LEU 59 3HD2 LEU 59 2.740 8.729 -5.486 469 HD22 LEU 59 1HD2 LEU 59 3.742 8.102 -4.181 470 HD23 LEU 59 2HD2 LEU 59 2.511 9.317 -3.845 471 H ASN 60 H ASN 60 5.106 6.983 -1.902 472 HA ASN 60 HA ASN 60 4.940 9.932 -1.973 473 HB2 ASN 60 2HB ASN 60 7.345 8.471 -0.903 474 HB3 ASN 60 1HB ASN 60 6.872 10.146 -0.644 475 HD21 ASN 60 1HD2 ASN 60 5.705 6.848 -0.042 476 HD22 ASN 60 2HD2 ASN 60 5.063 7.181 1.526 477 H SER 61 H SER 61 5.173 10.324 -4.105 478 HA SER 61 HA SER 61 7.652 9.314 -5.368 479 HG SER 61 HG SER 61 5.049 7.016 -6.212 480 HB2 SER 61 2HB SER 61 5.285 9.330 -7.132 481 HB3 SER 61 1HB SER 61 6.622 8.186 -7.049 482 HA PRO 62 HA PRO 62 7.828 13.504 -6.901 483 HB2 PRO 62 2HB PRO 62 9.901 13.272 -8.544 484 HB3 PRO 62 1HB PRO 62 10.079 13.110 -6.794 485 HG2 PRO 62 2HG PRO 62 9.872 10.958 -8.866 486 HG3 PRO 62 1HG PRO 62 11.024 11.102 -7.524 487 HD2 PRO 62 2HD PRO 62 8.790 9.565 -7.406 488 HD3 PRO 62 1HD PRO 62 9.507 10.329 -5.980 489 H ASP 63 H ASP 63 6.838 10.854 -8.794 490 HA ASP 63 HA ASP 63 5.900 12.721 -10.832 491 HB2 ASP 63 2HB ASP 63 7.797 11.956 -11.972 492 HB3 ASP 63 1HB ASP 63 7.645 10.325 -11.335 493 H GLU 64 H GLU 64 3.892 12.094 -11.784 494 HA GLU 64 HA GLU 64 2.243 10.461 -10.158 495 HB2 GLU 64 2HB GLU 64 1.849 11.693 -12.856 496 HB3 GLU 64 1HB GLU 64 0.789 10.374 -12.393 497 HG2 GLU 64 2HG GLU 64 -0.414 12.096 -11.567 498 HG3 GLU 64 1HG GLU 64 0.594 11.755 -10.157 499 H ASP 65 H ASP 65 3.954 9.609 -13.197 500 HA ASP 65 HA ASP 65 2.928 7.096 -13.655 501 HB2 ASP 65 2HB ASP 65 4.761 8.288 -14.948 502 HB3 ASP 65 1HB ASP 65 5.881 7.721 -13.710 503 H SER 66 H SER 66 5.658 7.939 -11.564 504 HA SER 66 HA SER 66 5.977 5.420 -10.341 505 HG SER 66 HG SER 66 8.844 7.125 -9.705 506 HB2 SER 66 2HB SER 66 6.707 8.227 -9.512 507 HB3 SER 66 1HB SER 66 7.047 6.841 -8.474 508 H LEU 67 H LEU 67 4.482 8.373 -9.198 509 HA LEU 67 HA LEU 67 3.333 7.747 -6.850 510 HG LEU 67 HG LEU 67 1.103 9.437 -6.436 511 HB2 LEU 67 2HB LEU 67 3.166 9.934 -7.714 512 HB3 LEU 67 1HB LEU 67 2.361 9.391 -9.157 513 HD11 LEU 67 1HD1 LEU 67 -0.180 11.285 -7.974 514 HD12 LEU 67 2HD1 LEU 67 1.513 11.501 -8.419 515 HD13 LEU 67 3HD1 LEU 67 1.022 11.624 -6.730 516 HD21 LEU 67 3HD2 LEU 67 -0.177 7.903 -7.574 517 HD22 LEU 67 1HD2 LEU 67 0.136 8.655 -9.138 518 HD23 LEU 67 2HD2 LEU 67 -0.982 9.409 -8.003 519 H ALA 68 H ALA 68 1.561 7.314 -9.931 520 HA ALA 68 HA ALA 68 -0.549 5.875 -8.711 521 HB1 ALA 68 3HB ALA 68 0.346 6.296 -11.538 522 HB2 ALA 68 1HB ALA 68 -1.154 6.786 -10.749 523 HB3 ALA 68 2HB ALA 68 -0.898 5.097 -11.183 524 H HIS 69 H HIS 69 2.492 4.908 -10.203 525 HA HIS 69 HA HIS 69 2.081 2.172 -10.451 526 HD1 HIS 69 1HD HIS 69 3.224 0.293 -9.815 527 HD2 HIS 69 2HD HIS 69 6.598 1.964 -11.575 528 HE1 HIS 69 1HE HIS 69 4.646 -1.655 -10.525 529 HE2 HIS 69 2HE HIS 69 6.640 -0.621 -11.666 530 HB2 HIS 69 2HB HIS 69 4.113 3.516 -11.189 531 HB3 HIS 69 1HB HIS 69 4.679 3.403 -9.526 532 H MET 70 H MET 70 2.966 4.110 -7.654 533 HA MET 70 HA MET 70 3.283 1.830 -5.919 534 HB2 MET 70 2HB MET 70 2.895 4.631 -4.935 535 HB3 MET 70 1HB MET 70 3.886 3.359 -4.244 536 HG2 MET 70 2HG MET 70 4.463 5.120 -6.588 537 HG3 MET 70 1HG MET 70 5.401 4.885 -5.119 538 HE1 MET 70 3HE MET 70 7.707 4.499 -7.032 539 HE2 MET 70 1HE MET 70 6.351 5.030 -8.026 540 HE3 MET 70 2HE MET 70 7.276 3.602 -8.488 541 H GLN 71 H GLN 71 0.895 4.534 -5.950 542 HA GLN 71 HA GLN 71 -0.772 3.459 -4.018 543 HB2 GLN 71 2HB GLN 71 -2.628 4.792 -5.299 544 HB3 GLN 71 1HB GLN 71 -1.375 5.627 -4.403 545 HG2 GLN 71 2HG GLN 71 -0.681 6.662 -6.233 546 HG3 GLN 71 1HG GLN 71 -0.608 5.159 -7.148 547 HE21 GLN 71 1HE2 GLN 71 -2.113 8.102 -6.856 548 HE22 GLN 71 2HE2 GLN 71 -3.509 7.792 -7.825 549 H ASN 72 H ASN 72 -0.520 2.607 -7.385 550 HA ASN 72 HA ASN 72 -3.023 1.166 -7.392 551 HB2 ASN 72 2HB ASN 72 -1.747 2.290 -9.403 552 HB3 ASN 72 1HB ASN 72 -0.926 0.732 -9.477 553 HD21 ASN 72 1HD2 ASN 72 -2.532 -1.169 -9.291 554 HD22 ASN 72 2HD2 ASN 72 -3.919 -1.059 -10.314 555 H VAL 73 H VAL 73 0.429 0.323 -7.336 556 HA VAL 73 HA VAL 73 0.354 -2.395 -7.531 557 HB VAL 73 HB VAL 73 2.105 -0.553 -5.951 558 HG11 VAL 73 1HG1 VAL 73 3.554 -2.497 -5.368 559 HG12 VAL 73 2HG1 VAL 73 2.227 -3.562 -5.833 560 HG13 VAL 73 3HG1 VAL 73 2.029 -2.442 -4.485 561 HG21 VAL 73 3HG2 VAL 73 3.173 -2.526 -7.863 562 HG22 VAL 73 1HG2 VAL 73 3.566 -0.820 -7.649 563 HG23 VAL 73 2HG2 VAL 73 2.115 -1.286 -8.536 564 H VAL 74 H VAL 74 -0.402 -0.458 -4.672 565 HA VAL 74 HA VAL 74 -0.745 -2.688 -2.930 566 HB VAL 74 HB VAL 74 -1.803 0.129 -2.687 567 HG11 VAL 74 1HG1 VAL 74 -1.587 -1.950 -0.515 568 HG12 VAL 74 2HG1 VAL 74 -3.085 -1.538 -1.349 569 HG13 VAL 74 3HG1 VAL 74 -2.255 -0.326 -0.376 570 HG21 VAL 74 3HG2 VAL 74 0.805 -1.028 -2.275 571 HG22 VAL 74 1HG2 VAL 74 0.177 -0.354 -0.771 572 HG23 VAL 74 2HG2 VAL 74 0.305 0.662 -2.205 573 H ALA 75 H ALA 75 -3.059 -0.652 -4.757 574 HA ALA 75 HA ALA 75 -5.441 -1.731 -3.906 575 HB1 ALA 75 3HB ALA 75 -5.406 0.128 -5.444 576 HB2 ALA 75 1HB ALA 75 -6.336 -1.189 -6.157 577 HB3 ALA 75 2HB ALA 75 -4.689 -0.878 -6.703 578 H ASP 76 H ASP 76 -2.976 -3.129 -5.878 579 HA ASP 76 HA ASP 76 -4.549 -5.299 -6.896 580 HB2 ASP 76 2HB ASP 76 -2.434 -4.370 -7.948 581 HB3 ASP 76 1HB ASP 76 -1.541 -5.197 -6.676 582 H HIS 77 H HIS 77 -2.278 -4.855 -4.222 583 HA HIS 77 HA HIS 77 -2.150 -7.531 -3.387 584 HD1 HIS 77 1HD HIS 77 -0.566 -6.349 -4.726 585 HD2 HIS 77 2HD HIS 77 1.050 -4.552 -1.346 586 HE1 HIS 77 1HE HIS 77 1.689 -5.490 -5.434 587 HE2 HIS 77 2HE HIS 77 2.613 -4.334 -3.395 588 HB2 HIS 77 2HB HIS 77 -1.872 -5.097 -1.620 589 HB3 HIS 77 1HB HIS 77 -1.212 -6.696 -1.331 590 H LEU 78 H LEU 78 -4.392 -4.938 -2.445 591 HA LEU 78 HA LEU 78 -5.683 -6.384 -0.397 592 HG LEU 78 HG LEU 78 -4.957 -3.168 -0.661 593 HB2 LEU 78 2HB LEU 78 -6.588 -4.063 -2.096 594 HB3 LEU 78 1HB LEU 78 -7.536 -4.708 -0.774 595 HD11 LEU 78 1HD1 LEU 78 -6.168 -1.756 0.818 596 HD12 LEU 78 2HD1 LEU 78 -7.504 -2.902 0.919 597 HD13 LEU 78 3HD1 LEU 78 -7.189 -2.047 -0.590 598 HD21 LEU 78 3HD2 LEU 78 -6.031 -5.107 1.359 599 HD22 LEU 78 1HD2 LEU 78 -5.104 -3.695 1.859 600 HD23 LEU 78 2HD2 LEU 78 -4.374 -4.896 0.795 601 H GLN 79 H GLN 79 -5.912 -6.548 -3.834 602 HA GLN 79 HA GLN 79 -8.563 -7.537 -4.024 603 HB2 GLN 79 2HB GLN 79 -6.313 -8.085 -5.954 604 HB3 GLN 79 1HB GLN 79 -8.038 -8.108 -6.290 605 HG2 GLN 79 2HG GLN 79 -7.464 -5.553 -5.279 606 HG3 GLN 79 1HG GLN 79 -6.189 -5.936 -6.431 607 HE21 GLN 79 1HE2 GLN 79 -7.703 -7.566 -8.158 608 HE22 GLN 79 2HE2 GLN 79 -8.831 -6.559 -8.991 609 H ARG 80 H ARG 80 -5.483 -9.309 -4.430 610 HA ARG 80 HA ARG 80 -6.571 -11.850 -4.512 611 HE ARG 80 HE ARG 80 -1.733 -9.748 -1.240 612 HB2 ARG 80 2HB ARG 80 -4.268 -12.544 -3.514 613 HB3 ARG 80 1HB ARG 80 -4.347 -11.812 -5.110 614 HG2 ARG 80 2HG ARG 80 -3.030 -10.159 -4.480 615 HG3 ARG 80 1HG ARG 80 -4.074 -9.774 -3.111 616 HD2 ARG 80 2HD ARG 80 -2.975 -11.576 -1.821 617 HD3 ARG 80 1HD ARG 80 -1.886 -11.851 -3.180 618 HH11 ARG 80 1HH1 ARG 80 -0.940 -10.646 -4.517 619 HH12 ARG 80 2HH1 ARG 80 0.376 -9.527 -4.638 620 HH21 ARG 80 1HH2 ARG 80 -0.002 -8.276 -1.396 621 HH22 ARG 80 2HH2 ARG 80 0.909 -8.181 -2.867 622 H MET 81 H MET 81 -5.884 -9.849 -1.716 623 HA MET 81 HA MET 81 -6.309 -12.021 0.135 624 HB2 MET 81 2HB MET 81 -6.012 -10.366 1.882 625 HB3 MET 81 1HB MET 81 -4.752 -10.221 0.675 626 HG2 MET 81 2HG MET 81 -5.353 -8.032 1.259 627 HG3 MET 81 1HG MET 81 -6.067 -8.325 -0.322 628 HE1 MET 81 3HE MET 81 -6.192 -6.694 2.510 629 HE2 MET 81 1HE MET 81 -7.537 -7.159 3.550 630 HE3 MET 81 2HE MET 81 -7.767 -5.932 2.305 631 H ALA 82 H ALA 82 -8.342 -9.979 -1.621 632 HA ALA 82 HA ALA 82 -10.545 -10.438 0.295 633 HB1 ALA 82 3HB ALA 82 -9.894 -8.040 -0.152 634 HB2 ALA 82 1HB ALA 82 -11.590 -8.442 -0.421 635 HB3 ALA 82 2HB ALA 82 -10.495 -8.272 -1.793 636 H ASN 83 H ASN 83 -12.667 -9.827 -1.360 637 HA ASN 83 HA ASN 83 -13.206 -12.247 -2.609 638 HB2 ASN 83 2HB ASN 83 -14.512 -9.670 -2.327 639 HB3 ASN 83 1HB ASN 83 -14.838 -10.386 -3.901 640 HD21 ASN 83 1HD2 ASN 83 -15.657 -12.594 -3.918 641 HD22 ASN 83 2HD2 ASN 83 -16.678 -13.115 -2.626 642 H SER 84 H SER 84 -14.224 -11.843 -5.087 643 HA SER 84 HA SER 84 -11.825 -11.766 -6.693 644 HG SER 84 HG SER 84 -12.150 -13.683 -8.012 645 HB2 SER 84 2HB SER 84 -14.049 -13.289 -6.843 646 HB3 SER 84 1HB SER 84 -14.462 -12.038 -8.016 647 H GLU 85 H GLU 85 -14.400 -9.612 -5.919 648 HA GLU 85 HA GLU 85 -14.527 -8.033 -8.216 649 HB2 GLU 85 2HB GLU 85 -15.359 -6.251 -6.744 650 HB3 GLU 85 1HB GLU 85 -16.110 -7.797 -6.375 651 HG2 GLU 85 2HG GLU 85 -14.079 -7.888 -4.643 652 HG3 GLU 85 1HG GLU 85 -14.280 -6.140 -4.759 653 H SER 86 H SER 86 -13.465 -6.129 -8.846 654 HA SER 86 HA SER 86 -10.680 -6.075 -8.281 655 HG SER 86 HG SER 86 -9.920 -5.423 -10.515 656 HB2 SER 86 2HB SER 86 -12.551 -4.524 -9.994 657 HB3 SER 86 1HB SER 86 -11.026 -3.746 -9.569 658 H LEU 87 H LEU 87 -11.043 -5.893 -5.916 659 HA LEU 87 HA LEU 87 -11.516 -4.638 -3.971 660 HG LEU 87 HG LEU 87 -8.094 -4.727 -3.083 661 HB2 LEU 87 2HB LEU 87 -8.923 -4.311 -5.136 662 HB3 LEU 87 1HB LEU 87 -9.385 -2.799 -4.386 663 HD11 LEU 87 1HD1 LEU 87 -9.208 -3.734 -0.984 664 HD12 LEU 87 2HD1 LEU 87 -10.107 -2.729 -2.119 665 HD13 LEU 87 3HD1 LEU 87 -8.345 -2.649 -2.073 666 HD21 LEU 87 3HD2 LEU 87 -9.521 -6.038 -1.692 667 HD22 LEU 87 1HD2 LEU 87 -9.995 -6.329 -3.363 668 HD23 LEU 87 2HD2 LEU 87 -10.965 -5.268 -2.342 669 H GLU 88 H GLU 88 -13.174 -3.285 -3.654 670 HA GLU 88 HA GLU 88 -13.560 -0.934 -5.234 671 HB2 GLU 88 2HB GLU 88 -14.765 -1.933 -2.652 672 HB3 GLU 88 1HB GLU 88 -15.182 -0.359 -3.316 673 HG2 GLU 88 2HG GLU 88 -16.807 -1.433 -4.387 674 HG3 GLU 88 1HG GLU 88 -15.536 -2.003 -5.469 675 H ILE 89 H ILE 89 -11.804 0.413 -5.143 676 HA ILE 89 HA ILE 89 -11.220 1.566 -2.517 677 HB ILE 89 HB ILE 89 -8.885 1.451 -2.740 678 HG12 ILE 89 2HG1 ILE 89 -8.956 2.053 -5.267 679 HG13 ILE 89 1HG1 ILE 89 -7.635 1.062 -4.677 680 HG21 ILE 89 1HG2 ILE 89 -10.124 -1.096 -3.709 681 HG22 ILE 89 2HG2 ILE 89 -9.649 -0.661 -2.069 682 HG23 ILE 89 3HG2 ILE 89 -8.417 -0.959 -3.293 683 HD11 ILE 89 3HD1 ILE 89 -8.489 0.233 -6.788 684 HD12 ILE 89 1HD1 ILE 89 -10.093 0.045 -6.080 685 HD13 ILE 89 2HD1 ILE 89 -8.749 -0.938 -5.494 686 H ALA 90 H ALA 90 -11.238 3.794 -2.524 687 HA ALA 90 HA ALA 90 -11.379 5.066 -5.162 688 HB1 ALA 90 3HB ALA 90 -13.124 5.545 -3.365 689 HB2 ALA 90 1HB ALA 90 -12.377 6.942 -4.139 690 HB3 ALA 90 2HB ALA 90 -11.859 6.449 -2.529 691 H TRP 91 H TRP 91 -9.492 5.634 -5.955 692 HA TRP 91 HA TRP 91 -7.323 6.406 -4.167 693 HD1 TRP 91 HD TRP 91 -8.845 4.350 -7.702 694 HE1 TRP 91 1HE TRP 91 -9.176 5.199 -10.110 695 HE3 TRP 91 3HE TRP 91 -5.485 8.203 -7.676 696 HZ2 TRP 91 2HZ TRP 91 -8.150 7.232 -11.777 697 HZ3 TRP 91 3HZ TRP 91 -5.220 9.550 -9.717 698 HH2 TRP 91 HH TRP 91 -6.525 9.074 -11.724 699 HB2 TRP 91 2HB TRP 91 -5.889 6.245 -6.146 700 HB3 TRP 91 1HB TRP 91 -6.836 4.775 -5.934 701 H GLN 92 H GLN 92 -6.576 8.414 -3.945 702 HA GLN 92 HA GLN 92 -8.019 10.555 -5.286 703 HB2 GLN 92 2HB GLN 92 -6.010 10.551 -3.030 704 HB3 GLN 92 1HB GLN 92 -6.691 12.020 -3.715 705 HG2 GLN 92 2HG GLN 92 -8.961 11.111 -3.139 706 HG3 GLN 92 1HG GLN 92 -8.135 9.836 -2.244 707 HE21 GLN 92 1HE2 GLN 92 -6.626 10.557 -0.552 708 HE22 GLN 92 2HE2 GLN 92 -7.029 11.969 0.358 709 HA PRO 93 HA PRO 93 -5.191 11.628 -8.477 710 HB2 PRO 93 2HB PRO 93 -5.160 14.313 -7.184 711 HB3 PRO 93 1HB PRO 93 -5.391 13.893 -8.885 712 HG2 PRO 93 2HG PRO 93 -7.470 14.567 -7.361 713 HG3 PRO 93 1HG PRO 93 -7.606 13.278 -8.571 714 HD2 PRO 93 2HD PRO 93 -7.455 13.088 -5.612 715 HD3 PRO 93 1HD PRO 93 -8.247 12.008 -6.776 716 H ALA 94 H ALA 94 -4.451 12.827 -5.228 717 HA ALA 94 HA ALA 94 -2.484 12.365 -4.037 718 HB1 ALA 94 3HB ALA 94 -0.565 11.492 -4.959 719 HB2 ALA 94 1HB ALA 94 -0.789 12.355 -6.479 720 HB3 ALA 94 2HB ALA 94 -1.761 10.929 -6.130 721 H GLU 95 H GLU 95 -2.689 14.494 -6.803 722 HA GLU 95 HA GLU 95 -1.374 16.588 -5.209 723 HB2 GLU 95 2HB GLU 95 0.016 15.596 -7.150 724 HB3 GLU 95 1HB GLU 95 -1.098 16.460 -8.200 725 HG2 GLU 95 2HG GLU 95 0.993 17.689 -7.751 726 HG3 GLU 95 1HG GLU 95 -0.457 18.564 -7.256 727 H SER 96 H SER 96 -1.938 18.803 -5.941 728 HA SER 96 HA SER 96 -4.765 18.889 -6.724 729 HG SER 96 HG SER 96 -2.398 21.548 -5.733 730 HB2 SER 96 2HB SER 96 -4.608 21.265 -5.794 731 HB3 SER 96 1HB SER 96 -4.457 19.951 -4.625 Start of MODEL 5 1 HA MET 1 HA MET 1 6.912 13.522 -4.748 2 HB2 MET 1 2HB MET 1 7.504 13.764 -2.413 3 HB3 MET 1 1HB MET 1 8.820 14.323 -3.439 4 HG2 MET 1 2HG MET 1 6.978 16.447 -2.679 5 HG3 MET 1 1HG MET 1 7.748 15.666 -1.302 6 HE1 MET 1 3HE MET 1 10.519 15.806 -0.864 7 HE2 MET 1 1HE MET 1 11.544 16.037 -2.281 8 HE3 MET 1 2HE MET 1 10.374 14.718 -2.246 9 H PHE 2 H PHE 2 4.830 13.607 -5.369 10 HA PHE 2 HA PHE 2 2.948 15.298 -3.898 11 HD1 PHE 2 2HD PHE 2 3.490 16.743 -6.248 12 HD2 PHE 2 1HD PHE 2 2.980 12.838 -7.869 13 HE1 PHE 2 2HE PHE 2 4.828 17.386 -8.209 14 HE2 PHE 2 1HE PHE 2 4.309 13.480 -9.833 15 HZ PHE 2 HZ PHE 2 5.237 15.754 -10.007 16 HB2 PHE 2 2HB PHE 2 1.925 13.373 -5.909 17 HB3 PHE 2 1HB PHE 2 1.503 15.061 -5.659 18 H ARG 3 H ARG 3 0.802 14.061 -3.231 19 HA ARG 3 HA ARG 3 1.390 11.329 -2.448 20 HE ARG 3 HE ARG 3 4.545 10.733 1.645 21 HB2 ARG 3 2HB ARG 3 1.863 13.405 -0.609 22 HB3 ARG 3 1HB ARG 3 0.371 12.629 -0.088 23 HG2 ARG 3 2HG ARG 3 1.690 11.158 0.926 24 HG3 ARG 3 1HG ARG 3 1.980 10.497 -0.669 25 HD2 ARG 3 2HD ARG 3 4.123 11.084 -0.578 26 HD3 ARG 3 1HD ARG 3 3.695 12.753 -0.213 27 HH11 ARG 3 1HH1 ARG 3 2.795 13.730 1.277 28 HH12 ARG 3 2HH1 ARG 3 3.007 14.202 2.929 29 HH21 ARG 3 1HH2 ARG 3 4.826 11.353 3.819 30 HH22 ARG 3 2HH2 ARG 3 4.161 12.854 4.372 31 H SER 4 H SER 4 -0.311 10.086 -2.625 32 HA SER 4 HA SER 4 -3.021 11.227 -2.515 33 HG SER 4 HG SER 4 -4.352 8.934 -4.591 34 HB2 SER 4 2HB SER 4 -3.002 10.518 -4.715 35 HB3 SER 4 1HB SER 4 -1.738 9.323 -4.423 36 H THR 5 H THR 5 -4.690 9.553 -1.829 37 HA THR 5 HA THR 5 -3.551 7.390 -0.256 38 HB THR 5 HB THR 5 -4.613 8.001 1.813 39 HG1 THR 5 1HG THR 5 -6.441 9.013 1.347 40 HG21 THR 5 3HG2 THR 5 -2.430 9.261 1.101 41 HG22 THR 5 1HG2 THR 5 -3.321 9.732 2.547 42 HG23 THR 5 2HG2 THR 5 -3.507 10.658 1.060 43 H SER 6 H SER 6 -4.702 5.597 -0.316 44 HA SER 6 HA SER 6 -7.496 5.782 -1.257 45 HG SER 6 HG SER 6 -7.420 3.303 -3.351 46 HB2 SER 6 2HB SER 6 -5.856 4.597 -2.768 47 HB3 SER 6 1HB SER 6 -5.664 3.385 -1.501 48 H HIS 7 H HIS 7 -9.041 5.182 0.135 49 HA HIS 7 HA HIS 7 -8.244 3.644 2.521 50 HD1 HIS 7 1HD HIS 7 -12.307 3.900 3.258 51 HD2 HIS 7 2HD HIS 7 -11.055 7.036 0.835 52 HE1 HIS 7 1HE HIS 7 -14.388 4.754 2.131 53 HE2 HIS 7 2HE HIS 7 -13.592 6.590 0.602 54 HB2 HIS 7 2HB HIS 7 -9.900 4.756 3.754 55 HB3 HIS 7 1HB HIS 7 -9.259 6.011 2.702 56 H VAL 8 H VAL 8 -9.125 1.685 2.948 57 HA VAL 8 HA VAL 8 -11.555 0.872 1.518 58 HB VAL 8 HB VAL 8 -9.276 -1.070 1.708 59 HG11 VAL 8 1HG1 VAL 8 -11.588 -1.825 1.181 60 HG12 VAL 8 2HG1 VAL 8 -10.407 -2.199 -0.074 61 HG13 VAL 8 3HG1 VAL 8 -11.523 -0.850 -0.288 62 HG21 VAL 8 3HG2 VAL 8 -8.420 -0.480 -0.417 63 HG22 VAL 8 1HG2 VAL 8 -8.498 1.013 0.519 64 HG23 VAL 8 2HG2 VAL 8 -9.723 0.672 -0.704 65 H ARG 9 H ARG 9 -12.690 -0.911 2.531 66 HA ARG 9 HA ARG 9 -11.972 -1.150 5.366 67 HE ARG 9 HE ARG 9 -13.808 0.869 2.805 68 HB2 ARG 9 2HB ARG 9 -14.567 -1.318 3.907 69 HB3 ARG 9 1HB ARG 9 -14.383 -2.236 5.394 70 HG2 ARG 9 2HG ARG 9 -15.373 -0.108 5.893 71 HG3 ARG 9 1HG ARG 9 -13.739 -0.164 6.563 72 HD2 ARG 9 2HD ARG 9 -14.397 1.980 5.389 73 HD3 ARG 9 1HD ARG 9 -12.886 1.234 4.871 74 HH11 ARG 9 1HH1 ARG 9 -16.345 1.700 5.053 75 HH12 ARG 9 2HH1 ARG 9 -17.557 1.847 3.823 76 HH21 ARG 9 1HH2 ARG 9 -15.400 1.063 1.187 77 HH22 ARG 9 2HH2 ARG 9 -17.020 1.485 1.630 78 H THR 10 H THR 10 -10.663 -2.835 5.694 79 HA THR 10 HA THR 10 -11.471 -5.447 4.609 80 HB THR 10 HB THR 10 -9.206 -4.041 3.830 81 HG1 THR 10 1HG THR 10 -9.448 -5.570 2.441 82 HG21 THR 10 3HG2 THR 10 -8.327 -4.903 6.145 83 HG22 THR 10 1HG2 THR 10 -7.314 -4.946 4.696 84 HG23 THR 10 2HG2 THR 10 -8.133 -6.411 5.244 85 H GLU 11 H GLU 11 -10.748 -7.314 5.872 86 HA GLU 11 HA GLU 11 -10.488 -6.619 8.721 87 HB2 GLU 11 2HB GLU 11 -12.141 -8.465 7.325 88 HB3 GLU 11 1HB GLU 11 -11.064 -9.387 8.366 89 HG2 GLU 11 2HG GLU 11 -12.189 -8.806 10.183 90 HG3 GLU 11 1HG GLU 11 -12.137 -7.098 9.745 91 H SER 12 H SER 12 -8.926 -7.593 10.044 92 HA SER 12 HA SER 12 -6.898 -8.442 10.585 93 HG SER 12 HG SER 12 -5.972 -11.616 8.993 94 HB2 SER 12 2HB SER 12 -7.788 -10.585 10.139 95 HB3 SER 12 1HB SER 12 -7.698 -10.350 8.394 96 H ALA 13 H ALA 13 -7.138 -6.334 8.567 97 HA ALA 13 HA ALA 13 -5.375 -6.466 6.446 98 HB1 ALA 13 3HB ALA 13 -5.250 -4.108 6.504 99 HB2 ALA 13 1HB ALA 13 -5.621 -4.090 8.221 100 HB3 ALA 13 2HB ALA 13 -6.861 -4.547 7.065 101 H ALA 14 H ALA 14 -4.535 -5.357 9.711 102 HA ALA 14 HA ALA 14 -1.925 -4.696 9.427 103 HB1 ALA 14 3HB ALA 14 -1.594 -5.250 11.758 104 HB2 ALA 14 1HB ALA 14 -3.041 -6.261 11.743 105 HB3 ALA 14 2HB ALA 14 -3.179 -4.518 11.503 106 H ARG 15 H ARG 15 -3.089 -7.966 9.114 107 HA ARG 15 HA ARG 15 -0.527 -9.181 9.594 108 HE ARG 15 HE ARG 15 0.860 -13.552 9.024 109 HB2 ARG 15 2HB ARG 15 -2.917 -10.221 9.779 110 HB3 ARG 15 1HB ARG 15 -2.720 -10.514 8.061 111 HG2 ARG 15 2HG ARG 15 -1.479 -11.848 10.362 112 HG3 ARG 15 1HG ARG 15 -1.921 -12.478 8.779 113 HD2 ARG 15 2HD ARG 15 0.092 -11.733 7.801 114 HD3 ARG 15 1HD ARG 15 0.460 -10.678 9.163 115 HH11 ARG 15 1HH1 ARG 15 0.847 -10.673 11.004 116 HH12 ARG 15 2HH1 ARG 15 1.837 -11.372 12.240 117 HH21 ARG 15 1HH2 ARG 15 2.157 -14.467 10.652 118 HH22 ARG 15 2HH2 ARG 15 2.579 -13.523 12.042 119 H TYR 16 H TYR 16 -2.372 -8.377 6.643 120 HA TYR 16 HA TYR 16 -0.439 -9.561 4.962 121 HD1 TYR 16 2HD TYR 16 -1.541 -11.005 3.692 122 HD2 TYR 16 1HD TYR 16 -4.661 -8.162 4.210 123 HE1 TYR 16 2HE TYR 16 -3.202 -12.800 3.507 124 HE2 TYR 16 1HE TYR 16 -6.330 -9.952 4.032 125 HH TYR 16 HH TYR 16 -5.705 -12.930 2.809 126 HB2 TYR 16 2HB TYR 16 -2.491 -7.422 4.351 127 HB3 TYR 16 1HB TYR 16 -1.484 -8.202 3.136 128 H VAL 17 H VAL 17 -0.829 -6.327 6.297 129 HA VAL 17 HA VAL 17 1.242 -5.079 4.850 130 HB VAL 17 HB VAL 17 0.029 -4.523 7.532 131 HG11 VAL 17 1HG1 VAL 17 2.010 -3.754 8.315 132 HG12 VAL 17 2HG1 VAL 17 1.685 -2.397 7.244 133 HG13 VAL 17 3HG1 VAL 17 2.736 -3.701 6.707 134 HG21 VAL 17 3HG2 VAL 17 -1.012 -3.744 5.445 135 HG22 VAL 17 1HG2 VAL 17 0.447 -2.815 5.099 136 HG23 VAL 17 2HG2 VAL 17 -0.530 -2.423 6.512 137 H ASN 18 H ASN 18 1.259 -6.997 7.808 138 HA ASN 18 HA ASN 18 4.074 -6.805 8.190 139 HB2 ASN 18 2HB ASN 18 1.994 -8.673 9.330 140 HB3 ASN 18 1HB ASN 18 3.689 -8.705 9.806 141 HD21 ASN 18 1HD2 ASN 18 1.977 -8.320 11.763 142 HD22 ASN 18 2HD2 ASN 18 1.958 -6.675 12.290 143 H ARG 19 H ARG 19 1.945 -9.080 6.486 144 HA ARG 19 HA ARG 19 4.104 -10.953 6.083 145 HE ARG 19 HE ARG 19 1.254 -15.468 6.564 146 HB2 ARG 19 2HB ARG 19 1.367 -11.161 6.120 147 HB3 ARG 19 1HB ARG 19 1.736 -11.297 4.406 148 HG2 ARG 19 2HG ARG 19 2.259 -13.419 4.721 149 HG3 ARG 19 1HG ARG 19 3.600 -12.905 5.743 150 HD2 ARG 19 2HD ARG 19 2.279 -13.037 7.703 151 HD3 ARG 19 1HD ARG 19 0.795 -13.232 6.768 152 HH11 ARG 19 1HH1 ARG 19 4.124 -13.816 7.666 153 HH12 ARG 19 2HH1 ARG 19 4.996 -15.280 7.982 154 HH21 ARG 19 1HH2 ARG 19 2.397 -17.393 6.981 155 HH22 ARG 19 2HH2 ARG 19 4.016 -17.310 7.593 156 H LEU 20 H LEU 20 2.821 -8.257 4.303 157 HA LEU 20 HA LEU 20 3.625 -9.065 1.723 158 HG LEU 20 HG LEU 20 1.098 -7.317 2.903 159 HB2 LEU 20 2HB LEU 20 3.222 -6.310 2.867 160 HB3 LEU 20 1HB LEU 20 3.456 -6.646 1.164 161 HD11 LEU 20 1HD1 LEU 20 0.117 -6.320 0.615 162 HD12 LEU 20 2HD1 LEU 20 1.698 -5.540 0.621 163 HD13 LEU 20 3HD1 LEU 20 0.595 -5.308 1.980 164 HD21 LEU 20 3HD2 LEU 20 1.383 -9.361 1.755 165 HD22 LEU 20 1HD2 LEU 20 1.838 -8.552 0.254 166 HD23 LEU 20 2HD2 LEU 20 0.176 -8.466 0.835 167 H CYS 21 H CYS 21 5.240 -7.018 4.150 168 HA CYS 21 HA CYS 21 7.478 -6.347 2.635 169 HG CYS 21 HG CYS 21 6.135 -7.517 5.998 170 HB2 CYS 21 2HB CYS 21 8.649 -6.181 4.895 171 HB3 CYS 21 1HB CYS 21 7.188 -5.219 4.700 172 H LYS 22 H LYS 22 6.857 -9.180 4.638 173 HA LYS 22 HA LYS 22 9.430 -10.353 4.161 174 HB2 LYS 22 2HB LYS 22 6.876 -11.579 5.214 175 HB3 LYS 22 1HB LYS 22 8.452 -12.359 5.224 176 HG2 LYS 22 2HG LYS 22 9.135 -11.234 7.038 177 HG3 LYS 22 1HG LYS 22 8.406 -9.720 6.505 178 HD2 LYS 22 2HD LYS 22 7.227 -10.336 8.453 179 HD3 LYS 22 1HD LYS 22 6.166 -10.761 7.107 180 HE2 LYS 22 2HE LYS 22 6.098 -12.591 8.583 181 HE3 LYS 22 1HE LYS 22 7.133 -13.083 7.243 182 HZ1 LYS 22 3HZ LYS 22 9.056 -12.762 8.556 183 HZ2 LYS 22 1HZ LYS 22 7.976 -13.643 9.515 184 HZ3 LYS 22 2HZ LYS 22 8.192 -11.988 9.786 185 H HIS 23 H HIS 23 6.456 -10.193 2.476 186 HA HIS 23 HA HIS 23 6.886 -12.585 0.914 187 HD1 HIS 23 1HD HIS 23 2.897 -13.168 0.580 188 HD2 HIS 23 2HD HIS 23 5.891 -12.186 -2.127 189 HE1 HIS 23 1HE HIS 23 2.419 -14.536 -1.475 190 HE2 HIS 23 2HE HIS 23 4.294 -13.990 -3.067 191 HB2 HIS 23 2HB HIS 23 4.608 -11.680 1.583 192 HB3 HIS 23 1HB HIS 23 4.855 -10.426 0.372 193 H TRP 24 H TRP 24 6.421 -9.153 -0.049 194 HA TRP 24 HA TRP 24 7.723 -9.672 -2.570 195 HD1 TRP 24 HD TRP 24 4.524 -9.047 -1.026 196 HE1 TRP 24 1HE TRP 24 2.564 -9.354 -2.667 197 HE3 TRP 24 3HE TRP 24 6.619 -6.956 -5.194 198 HZ2 TRP 24 2HZ TRP 24 1.983 -8.785 -5.370 199 HZ3 TRP 24 3HZ TRP 24 5.295 -6.876 -7.267 200 HH2 TRP 24 HH TRP 24 3.025 -7.773 -7.351 201 HB2 TRP 24 2HB TRP 24 6.683 -7.126 -1.317 202 HB3 TRP 24 1HB TRP 24 7.381 -7.215 -2.930 203 H GLY 25 H GLY 25 8.846 -8.896 0.555 204 HA2 GLY 25 2HA GLY 25 11.025 -7.206 -0.134 205 HA3 GLY 25 1HA GLY 25 10.858 -8.128 1.348 206 H HIS 26 H HIS 26 11.457 -8.744 -2.110 207 HA HIS 26 HA HIS 26 13.456 -10.744 -1.292 208 HD1 HIS 26 1HD HIS 26 12.261 -12.273 -0.541 209 HD2 HIS 26 2HD HIS 26 12.355 -13.802 -4.403 210 HE1 HIS 26 1HE HIS 26 12.207 -14.773 -0.275 211 HE2 HIS 26 2HE HIS 26 12.355 -15.678 -2.622 212 HB2 HIS 26 2HB HIS 26 11.347 -10.796 -3.270 213 HB3 HIS 26 1HB HIS 26 12.909 -11.087 -4.028 214 H LYS 27 H LYS 27 12.890 -7.824 -3.072 215 HA LYS 27 HA LYS 27 15.762 -7.504 -3.457 216 HB2 LYS 27 2HB LYS 27 15.179 -8.637 -5.506 217 HB3 LYS 27 1HB LYS 27 13.794 -7.589 -5.758 218 HG2 LYS 27 2HG LYS 27 16.321 -6.132 -5.593 219 HG3 LYS 27 1HG LYS 27 16.261 -7.301 -6.913 220 HD2 LYS 27 2HD LYS 27 13.937 -5.482 -6.476 221 HD3 LYS 27 1HD LYS 27 15.391 -4.847 -7.246 222 HE2 LYS 27 2HE LYS 27 14.793 -7.346 -8.447 223 HE3 LYS 27 1HE LYS 27 13.301 -6.407 -8.387 224 HZ1 LYS 27 3HZ LYS 27 14.975 -4.554 -9.251 225 HZ2 LYS 27 1HZ LYS 27 14.139 -5.586 -10.299 226 HZ3 LYS 27 2HZ LYS 27 15.746 -5.917 -9.890 227 H PHE 28 H PHE 28 13.445 -6.256 -1.983 228 HA PHE 28 HA PHE 28 14.015 -3.510 -2.791 229 HD1 PHE 28 2HD PHE 28 12.229 -1.576 -4.106 230 HD2 PHE 28 1HD PHE 28 11.401 -5.713 -4.688 231 HE1 PHE 28 2HE PHE 28 12.085 -1.210 -6.533 232 HE2 PHE 28 1HE PHE 28 11.256 -5.348 -7.116 233 HZ PHE 28 HZ PHE 28 11.597 -3.093 -8.042 234 HB2 PHE 28 2HB PHE 28 11.290 -4.742 -2.508 235 HB3 PHE 28 1HB PHE 28 11.536 -3.017 -2.257 236 H GLU 29 H GLU 29 13.588 -1.939 -1.143 237 HA GLU 29 HA GLU 29 14.300 -2.934 1.467 238 HB2 GLU 29 2HB GLU 29 14.105 -0.431 2.048 239 HB3 GLU 29 1HB GLU 29 15.373 -0.923 0.935 240 HG2 GLU 29 2HG GLU 29 12.826 -0.191 -0.323 241 HG3 GLU 29 1HG GLU 29 13.666 1.118 0.508 242 H VAL 30 H VAL 30 12.643 -4.013 2.419 243 HA VAL 30 HA VAL 30 10.081 -2.592 2.653 244 HB VAL 30 HB VAL 30 9.378 -5.043 3.454 245 HG11 VAL 30 1HG1 VAL 30 8.132 -4.050 1.769 246 HG12 VAL 30 2HG1 VAL 30 8.794 -5.490 0.998 247 HG13 VAL 30 3HG1 VAL 30 9.519 -3.914 0.685 248 HG21 VAL 30 3HG2 VAL 30 11.850 -5.710 2.933 249 HG22 VAL 30 1HG2 VAL 30 11.264 -5.794 1.271 250 HG23 VAL 30 2HG2 VAL 30 10.523 -6.794 2.523 251 H GLU 31 H GLU 31 9.529 -1.813 4.576 252 HA GLU 31 HA GLU 31 10.935 -2.815 6.954 253 HB2 GLU 31 2HB GLU 31 10.441 -0.212 6.057 254 HB3 GLU 31 1HB GLU 31 9.313 -0.445 7.386 255 HG2 GLU 31 2HG GLU 31 11.025 -0.817 8.928 256 HG3 GLU 31 1HG GLU 31 12.216 -1.124 7.664 257 H LEU 32 H LEU 32 9.699 -3.180 8.905 258 HA LEU 32 HA LEU 32 6.821 -3.578 8.463 259 HG LEU 32 HG LEU 32 5.864 -6.116 8.568 260 HB2 LEU 32 2HB LEU 32 8.177 -5.705 8.173 261 HB3 LEU 32 1HB LEU 32 8.532 -5.610 9.885 262 HD11 LEU 32 1HD1 LEU 32 7.778 -7.645 10.260 263 HD12 LEU 32 2HD1 LEU 32 6.880 -8.150 8.830 264 HD13 LEU 32 3HD1 LEU 32 6.055 -7.998 10.382 265 HD21 LEU 32 3HD2 LEU 32 5.293 -4.579 10.275 266 HD22 LEU 32 1HD2 LEU 32 6.444 -5.290 11.407 267 HD23 LEU 32 2HD2 LEU 32 4.992 -6.179 10.951 268 H THR 33 H THR 33 5.886 -2.243 9.829 269 HA THR 33 HA THR 33 6.753 -2.312 12.666 270 HB THR 33 HB THR 33 5.787 0.127 12.640 271 HG1 THR 33 1HG THR 33 6.562 -0.196 9.931 272 HG21 THR 33 3HG2 THR 33 8.093 0.909 11.584 273 HG22 THR 33 1HG2 THR 33 8.475 -0.794 11.833 274 HG23 THR 33 2HG2 THR 33 7.974 0.205 13.196 275 HA PRO 34 HA PRO 34 2.488 -3.153 13.417 276 HB2 PRO 34 2HB PRO 34 2.036 -2.024 15.817 277 HB3 PRO 34 1HB PRO 34 3.074 -3.433 15.611 278 HG2 PRO 34 2HG PRO 34 3.827 -0.571 15.982 279 HG3 PRO 34 1HG PRO 34 4.584 -2.025 16.653 280 HD2 PRO 34 2HD PRO 34 5.528 -0.641 14.462 281 HD3 PRO 34 1HD PRO 34 5.871 -2.351 14.794 282 H GLU 35 H GLU 35 2.707 -1.129 11.630 283 HA GLU 35 HA GLU 35 0.321 0.385 12.132 284 HB2 GLU 35 2HB GLU 35 2.962 1.811 11.727 285 HB3 GLU 35 1HB GLU 35 1.384 2.583 11.671 286 HG2 GLU 35 2HG GLU 35 2.552 1.176 14.061 287 HG3 GLU 35 1HG GLU 35 2.537 2.918 13.803 288 H ARG 36 H ARG 36 3.091 -0.247 9.969 289 HA ARG 36 HA ARG 36 1.385 -0.698 7.773 290 HE ARG 36 HE ARG 36 4.647 4.355 8.071 291 HB2 ARG 36 2HB ARG 36 2.127 1.191 6.347 292 HB3 ARG 36 1HB ARG 36 1.151 1.706 7.713 293 HG2 ARG 36 2HG ARG 36 3.652 1.881 8.755 294 HG3 ARG 36 1HG ARG 36 3.948 2.282 7.064 295 HD2 ARG 36 2HD ARG 36 2.123 3.967 7.210 296 HD3 ARG 36 1HD ARG 36 2.004 3.621 8.935 297 HH11 ARG 36 1HH1 ARG 36 1.562 5.543 9.188 298 HH12 ARG 36 2HH1 ARG 36 2.212 7.030 9.790 299 HH21 ARG 36 1HH2 ARG 36 5.504 6.310 8.863 300 HH22 ARG 36 2HH2 ARG 36 4.449 7.467 9.605 301 H GLY 37 H GLY 37 2.582 -0.870 5.693 302 HA2 GLY 37 2HA GLY 37 5.223 -2.070 6.211 303 HA3 GLY 37 1HA GLY 37 4.149 -2.518 4.892 304 H PHE 38 H PHE 38 6.982 -0.922 5.420 305 HA PHE 38 HA PHE 38 6.468 1.201 3.463 306 HD1 PHE 38 1HD PHE 38 7.226 3.720 3.882 307 HD2 PHE 38 2HD PHE 38 10.777 1.375 4.112 308 HE1 PHE 38 1HE PHE 38 8.489 5.534 2.825 309 HE2 PHE 38 2HE PHE 38 12.037 3.180 3.022 310 HZ PHE 38 HZ PHE 38 10.895 5.264 2.377 311 HB2 PHE 38 2HB PHE 38 7.584 1.786 5.582 312 HB3 PHE 38 1HB PHE 38 8.870 0.647 5.219 313 H ILE 39 H ILE 39 6.840 0.750 1.408 314 HA ILE 39 HA ILE 39 9.156 -0.973 0.748 315 HB ILE 39 HB ILE 39 6.711 -1.094 -0.982 316 HG12 ILE 39 2HG1 ILE 39 7.114 -2.568 1.619 317 HG13 ILE 39 1HG1 ILE 39 5.663 -1.778 1.014 318 HG21 ILE 39 1HG2 ILE 39 9.283 -2.192 -1.053 319 HG22 ILE 39 2HG2 ILE 39 7.927 -2.565 -2.115 320 HG23 ILE 39 3HG2 ILE 39 8.207 -3.534 -0.670 321 HD11 ILE 39 3HD1 ILE 39 5.297 -3.548 -0.566 322 HD12 ILE 39 1HD1 ILE 39 5.511 -4.232 1.045 323 HD13 ILE 39 2HD1 ILE 39 6.827 -4.307 -0.125 324 H ASP 40 H ASP 40 10.509 0.583 -0.088 325 HA ASP 40 HA ASP 40 9.334 2.366 -2.109 326 HB2 ASP 40 2HB ASP 40 11.305 3.876 -1.587 327 HB3 ASP 40 1HB ASP 40 10.078 3.729 -0.332 328 H PHE 41 H PHE 41 10.257 2.668 -4.004 329 HA PHE 41 HA PHE 41 12.102 0.655 -4.968 330 HD1 PHE 41 2HD PHE 41 13.319 1.321 -7.633 331 HD2 PHE 41 1HD PHE 41 9.200 0.288 -7.385 332 HE1 PHE 41 2HE PHE 41 13.646 -0.372 -9.388 333 HE2 PHE 41 1HE PHE 41 9.517 -1.410 -9.143 334 HZ PHE 41 HZ PHE 41 11.743 -1.740 -10.146 335 HB2 PHE 41 2HB PHE 41 9.980 1.971 -6.089 336 HB3 PHE 41 1HB PHE 41 11.322 2.906 -6.731 337 H GLY 42 H GLY 42 12.338 3.647 -3.529 338 HA2 GLY 42 2HA GLY 42 14.806 4.183 -3.160 339 HA3 GLY 42 1HA GLY 42 14.831 4.377 -4.910 340 H ASP 43 H ASP 43 13.830 6.175 -5.850 341 HA ASP 43 HA ASP 43 13.626 8.486 -4.162 342 HB2 ASP 43 2HB ASP 43 14.434 8.446 -6.594 343 HB3 ASP 43 1HB ASP 43 12.738 8.313 -7.047 344 H SER 44 H SER 44 11.479 6.188 -5.596 345 HA SER 44 HA SER 44 9.100 7.651 -4.701 346 HG SER 44 HG SER 44 10.328 4.857 -6.640 347 HB2 SER 44 2HB SER 44 8.194 5.394 -6.012 348 HB3 SER 44 1HB SER 44 8.440 6.972 -6.766 349 H ASN 45 H ASN 45 7.382 6.280 -3.554 350 HA ASN 45 HA ASN 45 8.440 3.933 -2.204 351 HB2 ASN 45 2HB ASN 45 7.273 5.977 -0.380 352 HB3 ASN 45 1HB ASN 45 8.486 4.744 -0.053 353 HD21 ASN 45 1HD2 ASN 45 10.382 5.556 0.413 354 HD22 ASN 45 2HD2 ASN 45 11.068 7.002 -0.236 355 H CYS 46 H CYS 46 6.745 2.994 -0.659 356 HA CYS 46 HA CYS 46 4.014 3.716 -1.257 357 HG CYS 46 HG CYS 46 2.412 2.651 -2.971 358 HB2 CYS 46 2HB CYS 46 5.009 2.074 -3.061 359 HB3 CYS 46 1HB CYS 46 4.686 0.867 -1.821 360 H GLU 47 H GLU 47 3.443 3.922 0.824 361 HA GLU 47 HA GLU 47 4.159 1.832 2.734 362 HB2 GLU 47 2HB GLU 47 4.306 4.468 3.014 363 HB3 GLU 47 1HB GLU 47 2.628 4.283 3.503 364 HG2 GLU 47 2HG GLU 47 3.176 3.206 5.448 365 HG3 GLU 47 1HG GLU 47 4.690 2.566 4.805 366 H LEU 48 H LEU 48 2.507 0.875 4.102 367 HA LEU 48 HA LEU 48 -0.228 1.105 3.053 368 HG LEU 48 HG LEU 48 -0.934 -2.149 3.981 369 HB2 LEU 48 2HB LEU 48 0.751 -0.804 1.892 370 HB3 LEU 48 1HB LEU 48 1.244 -1.519 3.414 371 HD11 LEU 48 1HD1 LEU 48 -1.807 -0.068 2.014 372 HD12 LEU 48 2HD1 LEU 48 -2.262 -0.270 3.707 373 HD13 LEU 48 3HD1 LEU 48 -2.890 -1.376 2.487 374 HD21 LEU 48 3HD2 LEU 48 -0.506 -3.743 2.445 375 HD22 LEU 48 1HD2 LEU 48 -0.198 -2.584 1.154 376 HD23 LEU 48 2HD2 LEU 48 -1.855 -2.975 1.609 377 H LEU 49 H LEU 49 -1.483 1.653 4.689 378 HA LEU 49 HA LEU 49 -0.750 0.879 7.419 379 HG LEU 49 HG LEU 49 -1.985 1.804 9.184 380 HB2 LEU 49 2HB LEU 49 -1.645 3.223 6.677 381 HB3 LEU 49 1HB LEU 49 -3.210 2.437 6.735 382 HD11 LEU 49 1HD1 LEU 49 -0.669 4.019 8.224 383 HD12 LEU 49 2HD1 LEU 49 -0.799 3.540 9.917 384 HD13 LEU 49 3HD1 LEU 49 -1.931 4.713 9.243 385 HD21 LEU 49 3HD2 LEU 49 -4.348 2.151 8.890 386 HD22 LEU 49 1HD2 LEU 49 -4.087 3.839 8.448 387 HD23 LEU 49 2HD2 LEU 49 -3.746 3.295 10.091 388 H ALA 50 H ALA 50 -1.773 -0.705 8.546 389 HA ALA 50 HA ALA 50 -4.286 -1.732 7.468 390 HB1 ALA 50 3HB ALA 50 -2.530 -2.960 6.342 391 HB2 ALA 50 1HB ALA 50 -3.464 -4.001 7.401 392 HB3 ALA 50 2HB ALA 50 -1.866 -3.457 7.898 393 H HIS 51 H HIS 51 -5.664 -1.746 9.058 394 HA HIS 51 HA HIS 51 -4.784 -2.591 11.706 395 HD1 HIS 51 1HD HIS 51 -7.838 -0.047 13.731 396 HD2 HIS 51 2HD HIS 51 -3.913 -1.374 13.399 397 HE1 HIS 51 1HE HIS 51 -6.840 0.226 16.020 398 HE2 HIS 51 2HE HIS 51 -4.490 -0.658 15.813 399 HB2 HIS 51 2HB HIS 51 -5.982 -0.205 11.048 400 HB3 HIS 51 1HB HIS 51 -7.368 -1.176 11.518 401 HA PRO 52 HA PRO 52 -7.291 -6.185 11.874 402 HB2 PRO 52 2HB PRO 52 -9.076 -4.776 13.816 403 HB3 PRO 52 1HB PRO 52 -8.360 -6.390 13.908 404 HG2 PRO 52 2HG PRO 52 -7.296 -4.395 15.279 405 HG3 PRO 52 1HG PRO 52 -6.254 -5.567 14.457 406 HD2 PRO 52 2HD PRO 52 -6.912 -2.761 13.695 407 HD3 PRO 52 1HD PRO 52 -5.403 -3.661 13.467 408 H ASP 53 H ASP 53 -8.958 -3.166 11.184 409 HA ASP 53 HA ASP 53 -10.833 -4.728 9.583 410 HB2 ASP 53 2HB ASP 53 -11.863 -2.491 11.322 411 HB3 ASP 53 1HB ASP 53 -12.791 -3.686 10.422 412 H HIS 54 H HIS 54 -8.658 -2.265 9.524 413 HA HIS 54 HA HIS 54 -9.912 -1.303 7.098 414 HD1 HIS 54 1HD HIS 54 -7.301 1.813 8.780 415 HD2 HIS 54 2HD HIS 54 -10.097 0.132 11.352 416 HE1 HIS 54 1HE HIS 54 -6.498 2.365 11.097 417 HE2 HIS 54 2HE HIS 54 -8.294 1.481 12.625 418 HB2 HIS 54 2HB HIS 54 -9.487 1.086 7.627 419 HB3 HIS 54 1HB HIS 54 -10.725 0.343 8.623 420 H VAL 55 H VAL 55 -8.441 -0.138 5.641 421 HA VAL 55 HA VAL 55 -5.612 -0.439 6.290 422 HB VAL 55 HB VAL 55 -6.697 -2.423 4.941 423 HG11 VAL 55 1HG1 VAL 55 -6.946 -2.227 2.682 424 HG12 VAL 55 2HG1 VAL 55 -5.837 -0.862 2.566 425 HG13 VAL 55 3HG1 VAL 55 -7.468 -0.623 3.192 426 HG21 VAL 55 3HG2 VAL 55 -4.558 -2.910 3.950 427 HG22 VAL 55 1HG2 VAL 55 -4.327 -2.186 5.541 428 HG23 VAL 55 2HG2 VAL 55 -4.079 -1.218 4.087 429 H LEU 56 H LEU 56 -4.334 1.102 5.418 430 HA LEU 56 HA LEU 56 -5.614 3.061 3.622 431 HG LEU 56 HG LEU 56 -6.407 4.635 5.595 432 HB2 LEU 56 2HB LEU 56 -4.364 3.437 6.196 433 HB3 LEU 56 1HB LEU 56 -3.464 4.316 4.982 434 HD11 LEU 56 1HD1 LEU 56 -4.240 6.657 6.042 435 HD12 LEU 56 2HD1 LEU 56 -4.684 5.473 7.273 436 HD13 LEU 56 3HD1 LEU 56 -5.881 6.627 6.688 437 HD21 LEU 56 3HD2 LEU 56 -5.813 6.810 4.176 438 HD22 LEU 56 1HD2 LEU 56 -6.404 5.331 3.425 439 HD23 LEU 56 2HD2 LEU 56 -4.677 5.693 3.426 440 H MET 57 H MET 57 -4.406 3.845 1.913 441 HA MET 57 HA MET 57 -1.766 2.604 1.544 442 HB2 MET 57 2HB MET 57 -3.648 3.104 -0.742 443 HB3 MET 57 1HB MET 57 -2.237 2.055 -0.689 444 HG2 MET 57 2HG MET 57 -3.397 0.553 0.855 445 HG3 MET 57 1HG MET 57 -4.812 1.605 0.800 446 HE1 MET 57 3HE MET 57 -6.868 -0.117 -1.609 447 HE2 MET 57 1HE MET 57 -6.567 1.617 -1.518 448 HE3 MET 57 2HE MET 57 -6.620 0.653 -0.041 449 H ILE 58 H ILE 58 -0.244 4.158 1.556 450 HA ILE 58 HA ILE 58 -0.866 6.689 0.196 451 HB ILE 58 HB ILE 58 0.943 6.349 2.593 452 HG12 ILE 58 2HG1 ILE 58 -1.925 6.651 2.445 453 HG13 ILE 58 1HG1 ILE 58 -0.912 6.425 3.858 454 HG21 ILE 58 1HG2 ILE 58 1.600 8.136 1.067 455 HG22 ILE 58 2HG2 ILE 58 1.030 8.777 2.608 456 HG23 ILE 58 3HG2 ILE 58 -0.018 8.832 1.188 457 HD11 ILE 58 3HD1 ILE 58 -2.387 8.500 3.763 458 HD12 ILE 58 1HD1 ILE 58 -1.229 9.121 2.586 459 HD13 ILE 58 2HD1 ILE 58 -0.697 8.717 4.219 460 H LEU 59 H LEU 59 0.630 7.437 -1.229 461 HA LEU 59 HA LEU 59 3.109 5.869 -1.494 462 HG LEU 59 HG LEU 59 1.332 7.154 -5.158 463 HB2 LEU 59 2HB LEU 59 3.001 5.950 -3.815 464 HB3 LEU 59 1HB LEU 59 1.356 5.605 -3.332 465 HD11 LEU 59 1HD1 LEU 59 0.054 8.960 -4.205 466 HD12 LEU 59 2HD1 LEU 59 0.701 8.599 -2.608 467 HD13 LEU 59 3HD1 LEU 59 -0.350 7.436 -3.414 468 HD21 LEU 59 3HD2 LEU 59 2.685 8.911 -5.444 469 HD22 LEU 59 1HD2 LEU 59 3.689 8.117 -4.236 470 HD23 LEU 59 2HD2 LEU 59 2.580 9.401 -3.761 471 H ASN 60 H ASN 60 5.002 6.934 -1.930 472 HA ASN 60 HA ASN 60 4.874 9.878 -1.891 473 HB2 ASN 60 2HB ASN 60 7.159 8.276 -0.730 474 HB3 ASN 60 1HB ASN 60 6.823 9.994 -0.525 475 HD21 ASN 60 1HD2 ASN 60 7.290 8.752 1.710 476 HD22 ASN 60 2HD2 ASN 60 5.849 8.424 2.604 477 H SER 61 H SER 61 5.196 10.331 -4.002 478 HA SER 61 HA SER 61 7.735 9.401 -5.151 479 HG SER 61 HG SER 61 5.815 7.256 -5.041 480 HB2 SER 61 2HB SER 61 5.522 9.214 -7.072 481 HB3 SER 61 1HB SER 61 6.899 8.146 -6.825 482 HA PRO 62 HA PRO 62 8.000 13.599 -6.548 483 HB2 PRO 62 2HB PRO 62 9.982 13.186 -8.372 484 HB3 PRO 62 1HB PRO 62 10.226 13.318 -6.630 485 HG2 PRO 62 2HG PRO 62 10.012 10.846 -8.311 486 HG3 PRO 62 1HG PRO 62 11.172 11.228 -7.023 487 HD2 PRO 62 2HD PRO 62 9.060 9.664 -6.569 488 HD3 PRO 62 1HD PRO 62 9.627 10.817 -5.346 489 H ASP 63 H ASP 63 6.964 10.998 -8.552 490 HA ASP 63 HA ASP 63 5.956 12.981 -10.447 491 HB2 ASP 63 2HB ASP 63 7.881 12.274 -11.613 492 HB3 ASP 63 1HB ASP 63 7.642 10.591 -11.164 493 H GLU 64 H GLU 64 4.003 12.360 -11.527 494 HA GLU 64 HA GLU 64 2.305 10.707 -9.963 495 HB2 GLU 64 2HB GLU 64 1.964 12.028 -12.628 496 HB3 GLU 64 1HB GLU 64 0.876 10.716 -12.211 497 HG2 GLU 64 2HG GLU 64 -0.300 12.453 -11.364 498 HG3 GLU 64 1HG GLU 64 0.664 12.031 -9.946 499 H ASP 65 H ASP 65 4.075 9.917 -12.982 500 HA ASP 65 HA ASP 65 2.977 7.436 -13.523 501 HB2 ASP 65 2HB ASP 65 4.862 8.648 -14.762 502 HB3 ASP 65 1HB ASP 65 5.949 7.955 -13.560 503 H SER 66 H SER 66 5.717 8.181 -11.416 504 HA SER 66 HA SER 66 5.996 5.633 -10.245 505 HG SER 66 HG SER 66 7.895 7.508 -11.066 506 HB2 SER 66 2HB SER 66 6.717 8.401 -9.269 507 HB3 SER 66 1HB SER 66 7.141 6.931 -8.388 508 H LEU 67 H LEU 67 4.538 8.589 -9.046 509 HA LEU 67 HA LEU 67 3.389 7.925 -6.709 510 HG LEU 67 HG LEU 67 1.105 9.603 -6.294 511 HB2 LEU 67 2HB LEU 67 3.204 10.134 -7.482 512 HB3 LEU 67 1HB LEU 67 2.452 9.650 -8.972 513 HD11 LEU 67 1HD1 LEU 67 1.022 11.801 -6.537 514 HD12 LEU 67 2HD1 LEU 67 -0.160 11.476 -7.804 515 HD13 LEU 67 3HD1 LEU 67 1.535 11.718 -8.222 516 HD21 LEU 67 3HD2 LEU 67 -0.935 9.605 -7.924 517 HD22 LEU 67 1HD2 LEU 67 -0.140 8.091 -7.497 518 HD23 LEU 67 2HD2 LEU 67 0.221 8.874 -9.036 519 H ALA 68 H ALA 68 1.618 7.564 -9.800 520 HA ALA 68 HA ALA 68 -0.490 6.095 -8.607 521 HB1 ALA 68 3HB ALA 68 0.398 6.531 -11.444 522 HB2 ALA 68 1HB ALA 68 -1.053 7.114 -10.630 523 HB3 ALA 68 2HB ALA 68 -0.912 5.411 -11.068 524 H HIS 69 H HIS 69 2.572 5.179 -10.070 525 HA HIS 69 HA HIS 69 2.155 2.457 -10.448 526 HD1 HIS 69 1HD HIS 69 6.667 2.484 -11.255 527 HD2 HIS 69 2HD HIS 69 3.278 0.340 -10.165 528 HE1 HIS 69 1HE HIS 69 7.228 0.073 -11.695 529 HE2 HIS 69 2HE HIS 69 5.193 -1.213 -10.948 530 HB2 HIS 69 2HB HIS 69 4.198 3.827 -11.103 531 HB3 HIS 69 1HB HIS 69 4.745 3.635 -9.442 532 H MET 70 H MET 70 2.953 4.267 -7.546 533 HA MET 70 HA MET 70 3.274 1.891 -5.936 534 HB2 MET 70 2HB MET 70 2.762 4.307 -4.400 535 HB3 MET 70 1HB MET 70 4.161 3.255 -4.377 536 HG2 MET 70 2HG MET 70 3.694 5.433 -6.396 537 HG3 MET 70 1HG MET 70 4.690 5.581 -4.952 538 HE1 MET 70 3HE MET 70 7.377 2.735 -5.727 539 HE2 MET 70 1HE MET 70 5.762 2.344 -5.136 540 HE3 MET 70 2HE MET 70 6.641 3.716 -4.460 541 H GLN 71 H GLN 71 0.839 4.554 -5.878 542 HA GLN 71 HA GLN 71 -0.865 3.400 -4.054 543 HB2 GLN 71 2HB GLN 71 -2.722 4.661 -5.414 544 HB3 GLN 71 1HB GLN 71 -1.543 5.541 -4.463 545 HG2 GLN 71 2HG GLN 71 -0.811 6.606 -6.260 546 HG3 GLN 71 1HG GLN 71 -0.637 5.105 -7.169 547 HE21 GLN 71 1HE2 GLN 71 -2.995 4.143 -7.597 548 HE22 GLN 71 2HE2 GLN 71 -4.053 5.264 -8.377 549 H ASN 72 H ASN 72 -0.435 2.555 -7.398 550 HA ASN 72 HA ASN 72 -2.871 1.016 -7.531 551 HB2 ASN 72 2HB ASN 72 -2.433 0.751 -9.763 552 HB3 ASN 72 1HB ASN 72 -1.434 2.166 -9.463 553 HD21 ASN 72 1HD2 ASN 72 -1.376 -1.345 -9.701 554 HD22 ASN 72 2HD2 ASN 72 0.269 -1.465 -10.214 555 H VAL 73 H VAL 73 0.584 0.327 -7.185 556 HA VAL 73 HA VAL 73 0.655 -2.397 -7.350 557 HB VAL 73 HB VAL 73 2.180 -0.487 -5.600 558 HG11 VAL 73 1HG1 VAL 73 2.582 -3.472 -5.751 559 HG12 VAL 73 2HG1 VAL 73 2.154 -2.530 -4.323 560 HG13 VAL 73 3HG1 VAL 73 3.740 -2.331 -5.068 561 HG21 VAL 73 3HG2 VAL 73 3.677 -0.432 -7.266 562 HG22 VAL 73 1HG2 VAL 73 2.361 -1.073 -8.251 563 HG23 VAL 73 2HG2 VAL 73 3.560 -2.167 -7.563 564 H VAL 74 H VAL 74 -0.178 -0.493 -4.459 565 HA VAL 74 HA VAL 74 -0.635 -2.784 -2.824 566 HB VAL 74 HB VAL 74 -1.586 0.054 -2.446 567 HG11 VAL 74 1HG1 VAL 74 -2.096 -0.482 -0.187 568 HG12 VAL 74 2HG1 VAL 74 -1.396 -2.090 -0.340 569 HG13 VAL 74 3HG1 VAL 74 -2.890 -1.695 -1.188 570 HG21 VAL 74 3HG2 VAL 74 0.526 0.512 -1.914 571 HG22 VAL 74 1HG2 VAL 74 0.991 -1.175 -2.133 572 HG23 VAL 74 2HG2 VAL 74 0.395 -0.619 -0.571 573 H ALA 75 H ALA 75 -2.833 -0.574 -4.581 574 HA ALA 75 HA ALA 75 -5.271 -1.552 -3.778 575 HB1 ALA 75 3HB ALA 75 -4.459 -0.661 -6.543 576 HB2 ALA 75 1HB ALA 75 -5.130 0.345 -5.258 577 HB3 ALA 75 2HB ALA 75 -6.122 -0.899 -6.015 578 H ASP 76 H ASP 76 -2.873 -3.033 -5.767 579 HA ASP 76 HA ASP 76 -4.581 -5.088 -6.829 580 HB2 ASP 76 2HB ASP 76 -2.264 -4.114 -7.700 581 HB3 ASP 76 1HB ASP 76 -1.623 -5.434 -6.727 582 H HIS 77 H HIS 77 -2.224 -4.836 -4.197 583 HA HIS 77 HA HIS 77 -2.161 -7.538 -3.473 584 HD1 HIS 77 1HD HIS 77 -0.551 -6.305 -4.740 585 HD2 HIS 77 2HD HIS 77 1.109 -4.806 -1.238 586 HE1 HIS 77 1HE HIS 77 1.749 -5.509 -5.373 587 HE2 HIS 77 2HE HIS 77 2.767 -4.690 -3.219 588 HB2 HIS 77 2HB HIS 77 -1.849 -5.187 -1.598 589 HB3 HIS 77 1HB HIS 77 -1.243 -6.815 -1.356 590 H LEU 78 H LEU 78 -4.359 -4.951 -2.431 591 HA LEU 78 HA LEU 78 -5.709 -6.442 -0.462 592 HG LEU 78 HG LEU 78 -4.938 -3.251 -0.646 593 HB2 LEU 78 2HB LEU 78 -6.577 -4.080 -2.127 594 HB3 LEU 78 1HB LEU 78 -7.542 -4.748 -0.827 595 HD11 LEU 78 1HD1 LEU 78 -6.144 -1.788 0.758 596 HD12 LEU 78 2HD1 LEU 78 -7.495 -2.914 0.897 597 HD13 LEU 78 3HD1 LEU 78 -7.177 -2.103 -0.636 598 HD21 LEU 78 3HD2 LEU 78 -6.096 -5.218 1.290 599 HD22 LEU 78 1HD2 LEU 78 -5.238 -3.796 1.883 600 HD23 LEU 78 2HD2 LEU 78 -4.413 -4.950 0.835 601 H GLN 79 H GLN 79 -5.835 -6.554 -3.896 602 HA GLN 79 HA GLN 79 -8.493 -7.490 -4.197 603 HB2 GLN 79 2HB GLN 79 -6.105 -7.887 -6.002 604 HB3 GLN 79 1HB GLN 79 -7.781 -8.174 -6.448 605 HG2 GLN 79 2HG GLN 79 -7.401 -5.510 -5.397 606 HG3 GLN 79 1HG GLN 79 -6.346 -5.829 -6.770 607 HE21 GLN 79 1HE2 GLN 79 -8.221 -3.930 -7.035 608 HE22 GLN 79 2HE2 GLN 79 -9.492 -4.463 -8.077 609 H ARG 80 H ARG 80 -5.428 -9.304 -4.505 610 HA ARG 80 HA ARG 80 -6.563 -11.826 -4.651 611 HE ARG 80 HE ARG 80 -2.135 -13.261 -2.834 612 HB2 ARG 80 2HB ARG 80 -4.291 -12.575 -3.627 613 HB3 ARG 80 1HB ARG 80 -4.332 -11.824 -5.215 614 HG2 ARG 80 2HG ARG 80 -2.997 -10.197 -4.546 615 HG3 ARG 80 1HG ARG 80 -4.048 -9.820 -3.180 616 HD2 ARG 80 2HD ARG 80 -1.694 -10.460 -2.580 617 HD3 ARG 80 1HD ARG 80 -2.956 -11.408 -1.793 618 HH11 ARG 80 1HH1 ARG 80 -1.016 -10.447 -4.567 619 HH12 ARG 80 2HH1 ARG 80 -0.001 -11.354 -5.637 620 HH21 ARG 80 1HH2 ARG 80 -0.800 -14.457 -4.241 621 HH22 ARG 80 2HH2 ARG 80 0.121 -13.631 -5.453 622 H MET 81 H MET 81 -5.949 -9.861 -1.815 623 HA MET 81 HA MET 81 -6.387 -12.063 -0.003 624 HB2 MET 81 2HB MET 81 -6.217 -10.386 1.774 625 HB3 MET 81 1HB MET 81 -4.871 -10.311 0.655 626 HG2 MET 81 2HG MET 81 -5.412 -8.094 1.126 627 HG3 MET 81 1HG MET 81 -6.080 -8.401 -0.472 628 HE1 MET 81 3HE MET 81 -6.435 -8.053 3.120 629 HE2 MET 81 1HE MET 81 -8.154 -8.070 3.514 630 HE3 MET 81 2HE MET 81 -7.391 -6.581 2.953 631 H ALA 82 H ALA 82 -8.414 -9.982 -1.738 632 HA ALA 82 HA ALA 82 -10.631 -10.472 0.153 633 HB1 ALA 82 3HB ALA 82 -10.282 -8.294 -1.902 634 HB2 ALA 82 1HB ALA 82 -10.313 -8.124 -0.146 635 HB3 ALA 82 2HB ALA 82 -11.778 -8.585 -1.014 636 H ASN 83 H ASN 83 -9.955 -10.224 -3.343 637 HA ASN 83 HA ASN 83 -10.713 -11.439 -5.113 638 HB2 ASN 83 2HB ASN 83 -10.581 -13.301 -3.125 639 HB3 ASN 83 1HB ASN 83 -12.289 -13.385 -3.549 640 HD21 ASN 83 1HD2 ASN 83 -10.203 -15.362 -3.928 641 HD22 ASN 83 2HD2 ASN 83 -10.145 -15.690 -5.623 642 H SER 84 H SER 84 -13.116 -12.745 -5.573 643 HA SER 84 HA SER 84 -15.288 -12.377 -6.124 644 HG SER 84 HG SER 84 -16.915 -9.987 -4.908 645 HB2 SER 84 2HB SER 84 -15.794 -12.334 -3.777 646 HB3 SER 84 1HB SER 84 -15.191 -10.686 -3.618 647 H GLU 85 H GLU 85 -14.690 -9.152 -4.775 648 HA GLU 85 HA GLU 85 -15.297 -8.023 -7.414 649 HB2 GLU 85 2HB GLU 85 -15.828 -5.966 -6.260 650 HB3 GLU 85 1HB GLU 85 -16.679 -7.295 -5.487 651 HG2 GLU 85 2HG GLU 85 -15.062 -7.334 -3.691 652 HG3 GLU 85 1HG GLU 85 -14.113 -6.079 -4.486 653 H SER 86 H SER 86 -14.045 -6.218 -8.207 654 HA SER 86 HA SER 86 -11.229 -6.616 -7.799 655 HG SER 86 HG SER 86 -13.700 -5.604 -10.143 656 HB2 SER 86 2HB SER 86 -11.237 -4.494 -9.404 657 HB3 SER 86 1HB SER 86 -11.605 -6.108 -10.013 658 H LEU 87 H LEU 87 -11.440 -6.065 -5.473 659 HA LEU 87 HA LEU 87 -11.545 -4.577 -3.689 660 HG LEU 87 HG LEU 87 -8.058 -4.764 -3.167 661 HB2 LEU 87 2HB LEU 87 -9.099 -4.562 -5.155 662 HB3 LEU 87 1HB LEU 87 -9.383 -2.940 -4.553 663 HD11 LEU 87 1HD1 LEU 87 -8.985 -3.494 -1.087 664 HD12 LEU 87 2HD1 LEU 87 -9.853 -2.544 -2.293 665 HD13 LEU 87 3HD1 LEU 87 -8.091 -2.616 -2.328 666 HD21 LEU 87 3HD2 LEU 87 -10.853 -5.093 -2.089 667 HD22 LEU 87 1HD2 LEU 87 -9.375 -5.844 -1.492 668 HD23 LEU 87 2HD2 LEU 87 -10.021 -6.303 -3.066 669 H GLU 88 H GLU 88 -13.072 -3.103 -3.346 670 HA GLU 88 HA GLU 88 -13.464 -0.884 -5.139 671 HB2 GLU 88 2HB GLU 88 -15.318 -1.921 -3.807 672 HB3 GLU 88 1HB GLU 88 -14.557 -1.306 -2.345 673 HG2 GLU 88 2HG GLU 88 -14.744 0.992 -3.578 674 HG3 GLU 88 1HG GLU 88 -15.999 0.161 -4.495 675 H ILE 89 H ILE 89 -11.645 0.392 -5.197 676 HA ILE 89 HA ILE 89 -10.824 1.550 -2.626 677 HB ILE 89 HB ILE 89 -8.522 1.590 -3.272 678 HG12 ILE 89 2HG1 ILE 89 -9.235 1.860 -5.835 679 HG13 ILE 89 1HG1 ILE 89 -7.654 1.272 -5.363 680 HG21 ILE 89 1HG2 ILE 89 -8.820 -0.442 -2.307 681 HG22 ILE 89 2HG2 ILE 89 -8.218 -0.938 -3.886 682 HG23 ILE 89 3HG2 ILE 89 -9.946 -0.996 -3.547 683 HD11 ILE 89 3HD1 ILE 89 -8.492 -1.044 -5.642 684 HD12 ILE 89 1HD1 ILE 89 -8.497 -0.091 -7.128 685 HD13 ILE 89 2HD1 ILE 89 -10.004 -0.372 -6.257 686 H ALA 90 H ALA 90 -10.931 3.762 -2.519 687 HA ALA 90 HA ALA 90 -11.306 5.167 -5.070 688 HB1 ALA 90 3HB ALA 90 -11.686 6.390 -2.344 689 HB2 ALA 90 1HB ALA 90 -12.961 5.464 -3.140 690 HB3 ALA 90 2HB ALA 90 -12.333 6.928 -3.893 691 H TRP 91 H TRP 91 -9.480 5.844 -5.919 692 HA TRP 91 HA TRP 91 -7.250 6.590 -4.196 693 HD1 TRP 91 HD TRP 91 -8.899 4.601 -7.666 694 HE1 TRP 91 1HE TRP 91 -9.419 5.471 -10.031 695 HE3 TRP 91 3HE TRP 91 -5.675 8.566 -7.799 696 HZ2 TRP 91 2HZ TRP 91 -8.575 7.563 -11.730 697 HZ3 TRP 91 3HZ TRP 91 -5.592 9.951 -9.831 698 HH2 TRP 91 HH TRP 91 -7.013 9.458 -11.755 699 HB2 TRP 91 2HB TRP 91 -5.921 6.596 -6.272 700 HB3 TRP 91 1HB TRP 91 -6.767 5.069 -6.039 701 H GLN 92 H GLN 92 -6.569 8.603 -3.886 702 HA GLN 92 HA GLN 92 -8.104 10.770 -5.076 703 HB2 GLN 92 2HB GLN 92 -6.021 10.715 -2.887 704 HB3 GLN 92 1HB GLN 92 -6.787 12.188 -3.464 705 HG2 GLN 92 2HG GLN 92 -8.995 11.139 -2.863 706 HG3 GLN 92 1HG GLN 92 -8.074 9.872 -2.055 707 HE21 GLN 92 1HE2 GLN 92 -8.319 13.406 -2.205 708 HE22 GLN 92 2HE2 GLN 92 -8.071 13.668 -0.515 709 HA PRO 93 HA PRO 93 -5.380 12.121 -8.246 710 HB2 PRO 93 2HB PRO 93 -5.261 14.700 -6.758 711 HB3 PRO 93 1HB PRO 93 -5.574 14.410 -8.474 712 HG2 PRO 93 2HG PRO 93 -7.572 14.990 -6.801 713 HG3 PRO 93 1HG PRO 93 -7.782 13.809 -8.107 714 HD2 PRO 93 2HD PRO 93 -7.511 13.369 -5.185 715 HD3 PRO 93 1HD PRO 93 -8.365 12.399 -6.401 716 H ALA 94 H ALA 94 -4.495 13.088 -4.951 717 HA ALA 94 HA ALA 94 -2.491 12.496 -3.880 718 HB1 ALA 94 3HB ALA 94 -0.605 11.704 -4.951 719 HB2 ALA 94 1HB ALA 94 -0.930 12.621 -6.421 720 HB3 ALA 94 2HB ALA 94 -1.878 11.180 -6.056 721 H GLU 95 H GLU 95 -2.994 14.916 -6.294 722 HA GLU 95 HA GLU 95 -2.191 17.025 -4.649 723 HB2 GLU 95 2HB GLU 95 0.078 16.221 -4.987 724 HB3 GLU 95 1HB GLU 95 -0.147 16.236 -6.732 725 HG2 GLU 95 2HG GLU 95 -0.710 18.819 -5.559 726 HG3 GLU 95 1HG GLU 95 0.915 18.259 -5.165 727 H SER 96 H SER 96 -3.174 18.806 -5.370 728 HA SER 96 HA SER 96 -3.840 18.962 -8.236 729 HG SER 96 HG SER 96 -6.821 18.011 -7.003 730 HB2 SER 96 2HB SER 96 -5.571 19.260 -5.836 731 HB3 SER 96 1HB SER 96 -5.868 20.364 -7.177 Start of MODEL 6 1 HA MET 1 HA MET 1 6.876 13.153 -5.296 2 HB2 MET 1 2HB MET 1 7.631 13.468 -3.041 3 HB3 MET 1 1HB MET 1 8.869 14.061 -4.142 4 HG2 MET 1 2HG MET 1 8.763 16.129 -3.320 5 HG3 MET 1 1HG MET 1 7.003 16.134 -3.306 6 HE1 MET 1 3HE MET 1 5.544 15.284 -0.894 7 HE2 MET 1 1HE MET 1 6.049 16.868 -1.481 8 HE3 MET 1 2HE MET 1 6.311 16.429 0.206 9 H PHE 2 H PHE 2 4.769 13.178 -5.770 10 HA PHE 2 HA PHE 2 2.981 14.976 -4.298 11 HD1 PHE 2 2HD PHE 2 3.375 16.352 -6.767 12 HD2 PHE 2 1HD PHE 2 2.852 12.356 -8.142 13 HE1 PHE 2 2HE PHE 2 4.632 16.893 -8.811 14 HE2 PHE 2 1HE PHE 2 4.100 12.895 -10.187 15 HZ PHE 2 HZ PHE 2 4.996 15.163 -10.526 16 HB2 PHE 2 2HB PHE 2 1.827 13.010 -6.192 17 HB3 PHE 2 1HB PHE 2 1.455 14.716 -5.984 18 H ARG 3 H ARG 3 0.857 13.797 -3.494 19 HA ARG 3 HA ARG 3 1.435 11.081 -2.647 20 HE ARG 3 HE ARG 3 3.686 10.877 1.794 21 HB2 ARG 3 2HB ARG 3 2.021 13.206 -0.901 22 HB3 ARG 3 1HB ARG 3 0.532 12.486 -0.296 23 HG2 ARG 3 2HG ARG 3 1.850 11.017 0.719 24 HG3 ARG 3 1HG ARG 3 2.071 10.297 -0.861 25 HD2 ARG 3 2HD ARG 3 4.228 10.834 -0.857 26 HD3 ARG 3 1HD ARG 3 3.847 12.527 -0.548 27 HH11 ARG 3 1HH1 ARG 3 5.829 12.730 -0.245 28 HH12 ARG 3 2HH1 ARG 3 6.995 12.993 1.007 29 HH21 ARG 3 1HH2 ARG 3 5.220 11.224 3.443 30 HH22 ARG 3 2HH2 ARG 3 6.650 12.138 3.100 31 H SER 4 H SER 4 -0.296 9.861 -2.724 32 HA SER 4 HA SER 4 -2.974 11.072 -2.567 33 HG SER 4 HG SER 4 -3.562 7.854 -4.596 34 HB2 SER 4 2HB SER 4 -3.071 10.253 -4.716 35 HB3 SER 4 1HB SER 4 -1.783 9.078 -4.432 36 H THR 5 H THR 5 -4.665 9.482 -1.752 37 HA THR 5 HA THR 5 -3.540 7.365 -0.110 38 HB THR 5 HB THR 5 -4.507 8.093 1.961 39 HG1 THR 5 1HG THR 5 -5.776 9.890 2.118 40 HG21 THR 5 3HG2 THR 5 -2.332 9.275 1.121 41 HG22 THR 5 1HG2 THR 5 -3.166 9.839 2.566 42 HG23 THR 5 2HG2 THR 5 -3.380 10.690 1.040 43 H SER 6 H SER 6 -4.717 5.598 -0.144 44 HA SER 6 HA SER 6 -7.548 5.827 -0.954 45 HG SER 6 HG SER 6 -7.393 2.513 -2.257 46 HB2 SER 6 2HB SER 6 -6.059 4.587 -2.531 47 HB3 SER 6 1HB SER 6 -5.728 3.425 -1.248 48 H HIS 7 H HIS 7 -9.076 5.193 0.462 49 HA HIS 7 HA HIS 7 -8.198 3.678 2.834 50 HD1 HIS 7 1HD HIS 7 -10.676 7.158 1.393 51 HD2 HIS 7 2HD HIS 7 -12.432 4.207 3.735 52 HE1 HIS 7 1HE HIS 7 -13.151 7.368 0.997 53 HE2 HIS 7 2HE HIS 7 -14.198 5.630 2.491 54 HB2 HIS 7 2HB HIS 7 -9.723 4.865 4.164 55 HB3 HIS 7 1HB HIS 7 -9.070 6.091 3.087 56 H VAL 8 H VAL 8 -9.139 1.760 3.290 57 HA VAL 8 HA VAL 8 -11.701 1.087 2.029 58 HB VAL 8 HB VAL 8 -9.498 -0.954 2.022 59 HG11 VAL 8 1HG1 VAL 8 -10.814 -2.030 0.348 60 HG12 VAL 8 2HG1 VAL 8 -11.873 -0.630 0.196 61 HG13 VAL 8 3HG1 VAL 8 -11.890 -1.592 1.674 62 HG21 VAL 8 3HG2 VAL 8 -8.675 1.049 0.804 63 HG22 VAL 8 1HG2 VAL 8 -10.068 0.921 -0.271 64 HG23 VAL 8 2HG2 VAL 8 -8.869 -0.371 -0.224 65 H ARG 9 H ARG 9 -12.848 -0.653 3.117 66 HA ARG 9 HA ARG 9 -11.943 -0.927 5.892 67 HE ARG 9 HE ARG 9 -14.222 1.217 3.433 68 HB2 ARG 9 2HB ARG 9 -14.636 -1.028 4.612 69 HB3 ARG 9 1HB ARG 9 -14.374 -1.922 6.103 70 HG2 ARG 9 2HG ARG 9 -15.265 0.248 6.617 71 HG3 ARG 9 1HG ARG 9 -13.595 0.147 7.184 72 HD2 ARG 9 2HD ARG 9 -14.078 2.295 6.094 73 HD3 ARG 9 1HD ARG 9 -12.830 1.381 5.247 74 HH11 ARG 9 1HH1 ARG 9 -16.067 2.297 6.191 75 HH12 ARG 9 2HH1 ARG 9 -17.484 2.652 5.261 76 HH21 ARG 9 1HH2 ARG 9 -16.085 1.683 2.209 77 HH22 ARG 9 2HH2 ARG 9 -17.495 2.303 3.001 78 H THR 10 H THR 10 -10.667 -2.648 6.140 79 HA THR 10 HA THR 10 -11.640 -5.243 5.161 80 HB THR 10 HB THR 10 -9.334 -3.905 4.263 81 HG1 THR 10 1HG THR 10 -9.751 -5.317 2.798 82 HG21 THR 10 3HG2 THR 10 -7.483 -4.977 4.965 83 HG22 THR 10 1HG2 THR 10 -8.356 -6.453 5.385 84 HG23 THR 10 2HG2 THR 10 -8.415 -5.055 6.465 85 H GLU 11 H GLU 11 -10.885 -7.111 6.407 86 HA GLU 11 HA GLU 11 -10.402 -6.378 9.216 87 HB2 GLU 11 2HB GLU 11 -12.176 -8.213 7.972 88 HB3 GLU 11 1HB GLU 11 -11.032 -9.145 8.929 89 HG2 GLU 11 2HG GLU 11 -12.005 -8.546 10.824 90 HG3 GLU 11 1HG GLU 11 -11.964 -6.841 10.379 91 H SER 12 H SER 12 -8.755 -7.344 10.433 92 HA SER 12 HA SER 12 -6.708 -8.219 10.842 93 HG SER 12 HG SER 12 -5.759 -11.055 8.849 94 HB2 SER 12 2HB SER 12 -7.726 -10.348 10.481 95 HB3 SER 12 1HB SER 12 -7.646 -10.160 8.728 96 H ALA 13 H ALA 13 -7.045 -6.146 8.804 97 HA ALA 13 HA ALA 13 -5.421 -6.412 6.566 98 HB1 ALA 13 3HB ALA 13 -5.935 -4.049 8.307 99 HB2 ALA 13 1HB ALA 13 -6.721 -4.463 6.797 100 HB3 ALA 13 2HB ALA 13 -5.038 -3.952 6.799 101 H ALA 14 H ALA 14 -4.445 -5.728 9.874 102 HA ALA 14 HA ALA 14 -1.859 -4.866 9.494 103 HB1 ALA 14 3HB ALA 14 -1.410 -5.802 11.765 104 HB2 ALA 14 1HB ALA 14 -3.025 -6.512 11.714 105 HB3 ALA 14 2HB ALA 14 -2.828 -4.760 11.632 106 H ARG 15 H ARG 15 -3.005 -8.100 8.957 107 HA ARG 15 HA ARG 15 -0.404 -9.315 9.218 108 HE ARG 15 HE ARG 15 0.902 -13.644 8.108 109 HB2 ARG 15 2HB ARG 15 -2.725 -10.416 9.527 110 HB3 ARG 15 1HB ARG 15 -2.727 -10.551 7.780 111 HG2 ARG 15 2HG ARG 15 -1.284 -12.110 9.788 112 HG3 ARG 15 1HG ARG 15 -1.830 -12.554 8.173 113 HD2 ARG 15 2HD ARG 15 0.112 -11.658 7.163 114 HD3 ARG 15 1HD ARG 15 0.572 -10.793 8.626 115 HH11 ARG 15 1HH1 ARG 15 1.219 -10.973 10.341 116 HH12 ARG 15 2HH1 ARG 15 2.328 -11.810 11.372 117 HH21 ARG 15 1HH2 ARG 15 2.357 -14.739 9.469 118 HH22 ARG 15 2HH2 ARG 15 2.972 -13.945 10.880 119 H TYR 16 H TYR 16 -2.427 -8.328 6.444 120 HA TYR 16 HA TYR 16 -0.622 -9.417 4.569 121 HD1 TYR 16 2HD TYR 16 -1.706 -10.720 3.149 122 HD2 TYR 16 1HD TYR 16 -4.871 -8.071 4.176 123 HE1 TYR 16 2HE TYR 16 -3.319 -12.541 2.857 124 HE2 TYR 16 1HE TYR 16 -6.494 -9.889 3.889 125 HH TYR 16 HH TYR 16 -5.991 -12.559 2.260 126 HB2 TYR 16 2HB TYR 16 -2.716 -7.261 4.246 127 HB3 TYR 16 1HB TYR 16 -1.754 -7.886 2.911 128 H VAL 17 H VAL 17 -0.789 -6.346 6.228 129 HA VAL 17 HA VAL 17 1.186 -5.024 4.675 130 HB VAL 17 HB VAL 17 0.121 -4.558 7.439 131 HG11 VAL 17 1HG1 VAL 17 2.070 -3.674 8.140 132 HG12 VAL 17 2HG1 VAL 17 1.782 -2.401 6.960 133 HG13 VAL 17 3HG1 VAL 17 2.784 -3.779 6.529 134 HG21 VAL 17 3HG2 VAL 17 0.328 -2.845 4.980 135 HG22 VAL 17 1HG2 VAL 17 -0.471 -2.399 6.487 136 HG23 VAL 17 2HG2 VAL 17 -1.106 -3.726 5.510 137 H ASN 18 H ASN 18 1.352 -6.962 7.647 138 HA ASN 18 HA ASN 18 4.171 -6.786 7.883 139 HB2 ASN 18 2HB ASN 18 2.334 -8.909 9.006 140 HB3 ASN 18 1HB ASN 18 3.959 -8.524 9.568 141 HD21 ASN 18 1HD2 ASN 18 2.699 -8.355 11.611 142 HD22 ASN 18 2HD2 ASN 18 2.025 -6.814 12.005 143 H ARG 19 H ARG 19 2.021 -8.939 6.121 144 HA ARG 19 HA ARG 19 4.060 -10.898 5.629 145 HE ARG 19 HE ARG 19 0.802 -15.178 5.052 146 HB2 ARG 19 2HB ARG 19 1.359 -10.970 5.555 147 HB3 ARG 19 1HB ARG 19 1.714 -10.799 3.841 148 HG2 ARG 19 2HG ARG 19 2.134 -12.962 3.729 149 HG3 ARG 19 1HG ARG 19 3.474 -12.744 4.853 150 HD2 ARG 19 2HD ARG 19 2.155 -13.258 6.710 151 HD3 ARG 19 1HD ARG 19 0.652 -13.022 5.819 152 HH11 ARG 19 1HH1 ARG 19 3.865 -14.247 6.444 153 HH12 ARG 19 2HH1 ARG 19 4.524 -15.846 6.374 154 HH21 ARG 19 1HH2 ARG 19 1.670 -17.282 4.959 155 HH22 ARG 19 2HH2 ARG 19 3.279 -17.569 5.530 156 H LEU 20 H LEU 20 3.216 -7.912 4.169 157 HA LEU 20 HA LEU 20 4.046 -8.487 1.519 158 HG LEU 20 HG LEU 20 1.662 -6.578 2.834 159 HB2 LEU 20 2HB LEU 20 3.881 -5.854 2.971 160 HB3 LEU 20 1HB LEU 20 4.149 -6.024 1.249 161 HD11 LEU 20 1HD1 LEU 20 0.676 -4.981 1.429 162 HD12 LEU 20 2HD1 LEU 20 1.959 -5.124 0.225 163 HD13 LEU 20 3HD1 LEU 20 2.281 -4.329 1.763 164 HD21 LEU 20 3HD2 LEU 20 1.752 -8.539 1.509 165 HD22 LEU 20 1HD2 LEU 20 2.368 -7.661 0.107 166 HD23 LEU 20 2HD2 LEU 20 0.703 -7.427 0.634 167 H CYS 21 H CYS 21 5.719 -6.925 4.248 168 HA CYS 21 HA CYS 21 8.094 -6.315 2.928 169 HG CYS 21 HG CYS 21 6.692 -7.332 6.664 170 HB2 CYS 21 2HB CYS 21 9.155 -6.310 5.143 171 HB3 CYS 21 1HB CYS 21 7.584 -5.517 5.201 172 H LYS 22 H LYS 22 7.021 -9.291 4.433 173 HA LYS 22 HA LYS 22 9.511 -10.658 3.961 174 HB2 LYS 22 2HB LYS 22 6.809 -11.755 4.750 175 HB3 LYS 22 1HB LYS 22 8.329 -12.637 4.792 176 HG2 LYS 22 2HG LYS 22 8.910 -11.766 6.765 177 HG3 LYS 22 1HG LYS 22 8.411 -10.138 6.303 178 HD2 LYS 22 2HD LYS 22 7.016 -10.785 8.107 179 HD3 LYS 22 1HD LYS 22 6.031 -10.899 6.647 180 HE2 LYS 22 2HE LYS 22 5.556 -12.853 7.847 181 HE3 LYS 22 1HE LYS 22 6.685 -13.354 6.589 182 HZ1 LYS 22 3HZ LYS 22 7.718 -14.311 8.326 183 HZ2 LYS 22 1HZ LYS 22 7.039 -13.266 9.470 184 HZ3 LYS 22 2HZ LYS 22 8.372 -12.770 8.555 185 H HIS 23 H HIS 23 6.644 -10.004 2.197 186 HA HIS 23 HA HIS 23 6.914 -12.241 0.391 187 HD1 HIS 23 1HD HIS 23 5.623 -10.527 -2.555 188 HD2 HIS 23 2HD HIS 23 3.405 -13.191 -0.264 189 HE1 HIS 23 1HE HIS 23 4.444 -12.013 -4.206 190 HE2 HIS 23 2HE HIS 23 3.037 -13.558 -2.798 191 HB2 HIS 23 2HB HIS 23 4.702 -11.222 1.067 192 HB3 HIS 23 1HB HIS 23 5.120 -9.840 0.059 193 H TRP 24 H TRP 24 6.913 -8.674 -0.135 194 HA TRP 24 HA TRP 24 8.280 -9.104 -2.663 195 HD1 TRP 24 HD TRP 24 4.943 -8.182 -1.187 196 HE1 TRP 24 1HE TRP 24 3.099 -8.382 -2.971 197 HE3 TRP 24 3HE TRP 24 7.563 -6.520 -5.251 198 HZ2 TRP 24 2HZ TRP 24 2.796 -7.898 -5.737 199 HZ3 TRP 24 3HZ TRP 24 6.423 -6.419 -7.429 200 HH2 TRP 24 HH TRP 24 4.088 -7.095 -7.665 201 HB2 TRP 24 2HB TRP 24 7.284 -6.598 -1.302 202 HB3 TRP 24 1HB TRP 24 8.069 -6.622 -2.878 203 H GLY 25 H GLY 25 9.252 -8.600 0.569 204 HA2 GLY 25 2HA GLY 25 11.537 -6.970 0.124 205 HA3 GLY 25 1HA GLY 25 11.257 -7.995 1.516 206 H HIS 26 H HIS 26 12.032 -8.343 -1.945 207 HA HIS 26 HA HIS 26 13.855 -10.530 -1.201 208 HD1 HIS 26 1HD HIS 26 13.919 -12.879 -4.458 209 HD2 HIS 26 2HD HIS 26 11.658 -12.391 -1.007 210 HE1 HIS 26 1HE HIS 26 13.523 -15.202 -3.579 211 HE2 HIS 26 2HE HIS 26 12.228 -14.874 -1.443 212 HB2 HIS 26 2HB HIS 26 11.873 -10.296 -3.263 213 HB3 HIS 26 1HB HIS 26 13.455 -10.504 -4.007 214 H LYS 27 H LYS 27 13.552 -7.483 -2.889 215 HA LYS 27 HA LYS 27 16.464 -7.268 -2.962 216 HB2 LYS 27 2HB LYS 27 16.046 -8.218 -5.119 217 HB3 LYS 27 1HB LYS 27 14.693 -7.138 -5.407 218 HG2 LYS 27 2HG LYS 27 17.212 -5.734 -4.948 219 HG3 LYS 27 1HG LYS 27 17.242 -6.809 -6.346 220 HD2 LYS 27 2HD LYS 27 15.885 -5.483 -7.530 221 HD3 LYS 27 1HD LYS 27 14.784 -5.260 -6.170 222 HE2 LYS 27 2HE LYS 27 15.742 -3.321 -5.543 223 HE3 LYS 27 1HE LYS 27 17.369 -3.871 -5.942 224 HZ1 LYS 27 3HZ LYS 27 17.200 -3.134 -8.069 225 HZ2 LYS 27 1HZ LYS 27 16.159 -2.019 -7.336 226 HZ3 LYS 27 2HZ LYS 27 15.525 -3.358 -8.152 227 H PHE 28 H PHE 28 14.007 -6.010 -1.647 228 HA PHE 28 HA PHE 28 14.848 -3.255 -2.127 229 HD1 PHE 28 1HD PHE 28 13.560 -1.155 -3.494 230 HD2 PHE 28 2HD PHE 28 12.224 -5.055 -4.547 231 HE1 PHE 28 1HE PHE 28 13.783 -0.582 -5.878 232 HE2 PHE 28 2HE PHE 28 12.443 -4.490 -6.933 233 HZ PHE 28 HZ PHE 28 13.223 -2.252 -7.600 234 HB2 PHE 28 2HB PHE 28 12.039 -4.302 -2.322 235 HB3 PHE 28 1HB PHE 28 12.355 -2.623 -1.892 236 H GLU 29 H GLU 29 14.268 -1.785 -0.413 237 HA GLU 29 HA GLU 29 14.595 -3.029 2.162 238 HB2 GLU 29 2HB GLU 29 14.458 -0.614 2.965 239 HB3 GLU 29 1HB GLU 29 15.789 -1.014 1.887 240 HG2 GLU 29 2HG GLU 29 13.415 -0.111 0.477 241 HG3 GLU 29 1HG GLU 29 14.046 1.079 1.614 242 H VAL 30 H VAL 30 12.905 -3.941 3.130 243 HA VAL 30 HA VAL 30 10.340 -2.501 3.062 244 HB VAL 30 HB VAL 30 9.570 -5.027 3.699 245 HG11 VAL 30 1HG1 VAL 30 9.775 -3.669 1.036 246 HG12 VAL 30 2HG1 VAL 30 8.365 -3.861 2.082 247 HG13 VAL 30 3HG1 VAL 30 9.019 -5.250 1.216 248 HG21 VAL 30 3HG2 VAL 30 12.001 -5.712 3.239 249 HG22 VAL 30 1HG2 VAL 30 11.586 -5.502 1.537 250 HG23 VAL 30 2HG2 VAL 30 10.707 -6.670 2.523 251 H GLU 31 H GLU 31 9.816 -1.657 4.967 252 HA GLU 31 HA GLU 31 10.962 -2.780 7.404 253 HB2 GLU 31 2HB GLU 31 10.212 -0.158 6.534 254 HB3 GLU 31 1HB GLU 31 9.283 -0.556 7.974 255 HG2 GLU 31 2HG GLU 31 11.123 -0.626 9.314 256 HG3 GLU 31 1HG GLU 31 12.199 -1.102 8.001 257 H LEU 32 H LEU 32 9.646 -3.325 9.222 258 HA LEU 32 HA LEU 32 6.806 -3.774 8.623 259 HG LEU 32 HG LEU 32 6.006 -6.433 8.429 260 HB2 LEU 32 2HB LEU 32 8.269 -5.825 8.251 261 HB3 LEU 32 1HB LEU 32 8.514 -5.850 9.984 262 HD11 LEU 32 1HD1 LEU 32 6.206 -8.236 10.438 263 HD12 LEU 32 2HD1 LEU 32 7.906 -7.876 10.141 264 HD13 LEU 32 3HD1 LEU 32 6.886 -8.458 8.826 265 HD21 LEU 32 3HD2 LEU 32 6.205 -5.624 11.328 266 HD22 LEU 32 1HD2 LEU 32 4.851 -6.539 10.669 267 HD23 LEU 32 2HD2 LEU 32 5.190 -4.915 10.073 268 H THR 33 H THR 33 5.795 -2.539 10.041 269 HA THR 33 HA THR 33 6.528 -2.816 12.902 270 HB THR 33 HB THR 33 5.502 -0.329 12.881 271 HG1 THR 33 1HG THR 33 5.714 0.662 11.040 272 HG21 THR 33 3HG2 THR 33 7.511 -0.298 13.894 273 HG22 THR 33 1HG2 THR 33 8.018 0.397 12.354 274 HG23 THR 33 2HG2 THR 33 8.269 -1.319 12.671 275 HA PRO 34 HA PRO 34 2.207 -3.546 13.402 276 HB2 PRO 34 2HB PRO 34 1.627 -2.480 15.799 277 HB3 PRO 34 1HB PRO 34 2.671 -3.888 15.617 278 HG2 PRO 34 2HG PRO 34 3.411 -1.040 16.106 279 HG3 PRO 34 1HG PRO 34 4.121 -2.515 16.782 280 HD2 PRO 34 2HD PRO 34 5.189 -1.079 14.680 281 HD3 PRO 34 1HD PRO 34 5.520 -2.793 15.000 282 H GLU 35 H GLU 35 2.562 -1.476 11.681 283 HA GLU 35 HA GLU 35 0.161 0.040 12.082 284 HB2 GLU 35 2HB GLU 35 2.805 1.499 11.882 285 HB3 GLU 35 1HB GLU 35 1.214 2.249 11.854 286 HG2 GLU 35 2HG GLU 35 0.834 1.270 14.134 287 HG3 GLU 35 1HG GLU 35 2.537 0.813 14.135 288 H ARG 36 H ARG 36 3.070 -0.474 10.056 289 HA ARG 36 HA ARG 36 1.478 -0.814 7.747 290 HE ARG 36 HE ARG 36 2.348 2.951 10.365 291 HB2 ARG 36 2HB ARG 36 2.340 1.156 6.481 292 HB3 ARG 36 1HB ARG 36 1.232 1.570 7.780 293 HG2 ARG 36 2HG ARG 36 3.594 1.725 9.079 294 HG3 ARG 36 1HG ARG 36 4.082 2.194 7.450 295 HD2 ARG 36 2HD ARG 36 3.429 4.241 8.101 296 HD3 ARG 36 1HD ARG 36 1.815 3.636 7.734 297 HH11 ARG 36 1HH1 ARG 36 2.011 5.870 8.483 298 HH12 ARG 36 2HH1 ARG 36 1.436 6.813 9.817 299 HH21 ARG 36 1HH2 ARG 36 1.591 4.189 12.121 300 HH22 ARG 36 2HH2 ARG 36 1.197 5.859 11.883 301 H GLY 37 H GLY 37 2.786 -0.878 5.723 302 HA2 GLY 37 2HA GLY 37 5.431 -2.054 6.297 303 HA3 GLY 37 1HA GLY 37 4.399 -2.517 4.952 304 H PHE 38 H PHE 38 7.119 -0.717 5.676 305 HA PHE 38 HA PHE 38 6.615 1.308 3.609 306 HD1 PHE 38 2HD PHE 38 7.200 3.767 3.729 307 HD2 PHE 38 1HD PHE 38 10.842 1.916 4.949 308 HE1 PHE 38 2HE PHE 38 8.473 5.609 2.729 309 HE2 PHE 38 1HE PHE 38 12.116 3.753 3.939 310 HZ PHE 38 HZ PHE 38 10.934 5.602 2.819 311 HB2 PHE 38 2HB PHE 38 7.469 2.060 5.780 312 HB3 PHE 38 1HB PHE 38 8.851 0.989 5.628 313 H ILE 39 H ILE 39 7.435 1.124 1.660 314 HA ILE 39 HA ILE 39 9.787 -0.596 1.204 315 HB ILE 39 HB ILE 39 7.562 -0.657 -0.800 316 HG12 ILE 39 2HG1 ILE 39 7.661 -2.215 1.780 317 HG13 ILE 39 1HG1 ILE 39 6.291 -1.396 1.040 318 HG21 ILE 39 1HG2 ILE 39 8.919 -3.128 -0.511 319 HG22 ILE 39 2HG2 ILE 39 10.128 -1.846 -0.491 320 HG23 ILE 39 3HG2 ILE 39 9.003 -1.976 -1.841 321 HD11 ILE 39 3HD1 ILE 39 6.146 -3.859 0.983 322 HD12 ILE 39 1HD1 ILE 39 7.566 -3.887 -0.061 323 HD13 ILE 39 2HD1 ILE 39 6.080 -3.112 -0.613 324 H ASP 40 H ASP 40 11.216 1.004 0.575 325 HA ASP 40 HA ASP 40 10.242 2.938 -1.408 326 HB2 ASP 40 2HB ASP 40 12.526 4.067 -0.837 327 HB3 ASP 40 1HB ASP 40 11.166 4.227 0.266 328 H PHE 41 H PHE 41 10.802 2.779 -3.412 329 HA PHE 41 HA PHE 41 12.824 0.838 -4.227 330 HD1 PHE 41 2HD PHE 41 10.922 -0.289 -3.683 331 HD2 PHE 41 1HD PHE 41 10.596 0.310 -7.885 332 HE1 PHE 41 2HE PHE 41 10.025 -2.562 -3.932 333 HE2 PHE 41 1HE PHE 41 9.696 -1.967 -8.140 334 HZ PHE 41 HZ PHE 41 9.410 -3.405 -6.163 335 HB2 PHE 41 2HB PHE 41 10.528 2.232 -5.517 336 HB3 PHE 41 1HB PHE 41 11.879 1.809 -6.557 337 H GLY 42 H GLY 42 12.982 3.890 -3.226 338 HA2 GLY 42 2HA GLY 42 15.121 5.024 -3.434 339 HA3 GLY 42 1HA GLY 42 15.110 4.605 -5.143 340 H ASP 43 H ASP 43 13.800 5.775 -6.571 341 HA ASP 43 HA ASP 43 13.034 8.421 -5.595 342 HB2 ASP 43 2HB ASP 43 14.288 7.624 -7.907 343 HB3 ASP 43 1HB ASP 43 12.625 7.822 -8.450 344 H SER 44 H SER 44 11.440 6.621 -4.528 345 HA SER 44 HA SER 44 8.856 7.342 -5.026 346 HG SER 44 HG SER 44 10.462 4.437 -6.446 347 HB2 SER 44 2HB SER 44 8.229 4.966 -6.167 348 HB3 SER 44 1HB SER 44 8.547 6.425 -7.110 349 H ASN 45 H ASN 45 7.283 5.953 -3.788 350 HA ASN 45 HA ASN 45 8.489 3.820 -2.223 351 HB2 ASN 45 2HB ASN 45 7.115 5.937 -0.620 352 HB3 ASN 45 1HB ASN 45 8.363 4.799 -0.129 353 HD21 ASN 45 1HD2 ASN 45 10.105 5.832 0.468 354 HD22 ASN 45 2HD2 ASN 45 10.795 7.213 -0.305 355 H CYS 46 H CYS 46 6.807 2.880 -0.666 356 HA CYS 46 HA CYS 46 4.055 3.331 -1.436 357 HG CYS 46 HG CYS 46 6.281 0.812 -3.639 358 HB2 CYS 46 2HB CYS 46 4.084 0.606 -1.649 359 HB3 CYS 46 1HB CYS 46 4.101 1.715 -3.014 360 H GLU 47 H GLU 47 3.379 3.708 0.602 361 HA GLU 47 HA GLU 47 4.136 1.818 2.711 362 HB2 GLU 47 2HB GLU 47 4.281 4.479 2.787 363 HB3 GLU 47 1HB GLU 47 2.600 4.321 3.273 364 HG2 GLU 47 2HG GLU 47 3.133 3.385 5.295 365 HG3 GLU 47 1HG GLU 47 4.659 2.714 4.715 366 H LEU 48 H LEU 48 2.495 0.942 4.109 367 HA LEU 48 HA LEU 48 -0.257 1.167 3.136 368 HG LEU 48 HG LEU 48 -1.003 -2.059 4.025 369 HB2 LEU 48 2HB LEU 48 0.682 -0.740 1.920 370 HB3 LEU 48 1HB LEU 48 1.187 -1.479 3.426 371 HD11 LEU 48 1HD1 LEU 48 -2.939 -1.265 2.486 372 HD12 LEU 48 2HD1 LEU 48 -1.837 0.051 2.084 373 HD13 LEU 48 3HD1 LEU 48 -2.338 -0.203 3.756 374 HD21 LEU 48 3HD2 LEU 48 -0.353 -3.587 2.402 375 HD22 LEU 48 1HD2 LEU 48 -0.516 -2.417 1.092 376 HD23 LEU 48 2HD2 LEU 48 -1.954 -3.075 1.873 377 H LEU 49 H LEU 49 -1.440 1.697 4.824 378 HA LEU 49 HA LEU 49 -0.582 0.947 7.523 379 HG LEU 49 HG LEU 49 -1.905 1.808 9.321 380 HB2 LEU 49 2HB LEU 49 -1.530 3.268 6.814 381 HB3 LEU 49 1HB LEU 49 -3.088 2.469 6.914 382 HD11 LEU 49 1HD1 LEU 49 -0.174 3.234 9.526 383 HD12 LEU 49 2HD1 LEU 49 -1.441 4.375 9.979 384 HD13 LEU 49 3HD1 LEU 49 -0.816 4.360 8.330 385 HD21 LEU 49 3HD2 LEU 49 -3.481 3.503 10.249 386 HD22 LEU 49 1HD2 LEU 49 -4.213 2.406 9.077 387 HD23 LEU 49 2HD2 LEU 49 -3.790 4.050 8.602 388 H ALA 50 H ALA 50 -1.483 -0.660 8.694 389 HA ALA 50 HA ALA 50 -4.013 -1.782 7.727 390 HB1 ALA 50 3HB ALA 50 -2.556 -3.209 6.672 391 HB2 ALA 50 1HB ALA 50 -2.928 -4.054 8.164 392 HB3 ALA 50 2HB ALA 50 -1.408 -3.191 8.012 393 H HIS 51 H HIS 51 -5.409 -1.788 9.302 394 HA HIS 51 HA HIS 51 -4.530 -2.488 11.987 395 HD1 HIS 51 1HD HIS 51 -7.461 0.235 13.943 396 HD2 HIS 51 2HD HIS 51 -3.582 -1.222 13.595 397 HE1 HIS 51 1HE HIS 51 -6.404 0.586 16.197 398 HE2 HIS 51 2HE HIS 51 -4.086 -0.378 15.985 399 HB2 HIS 51 2HB HIS 51 -5.672 -0.101 11.231 400 HB3 HIS 51 1HB HIS 51 -7.070 -1.014 11.779 401 HA PRO 52 HA PRO 52 -7.122 -6.001 12.309 402 HB2 PRO 52 2HB PRO 52 -8.833 -4.487 14.238 403 HB3 PRO 52 1HB PRO 52 -8.150 -6.113 14.369 404 HG2 PRO 52 2HG PRO 52 -7.020 -4.091 15.650 405 HG3 PRO 52 1HG PRO 52 -6.021 -5.324 14.864 406 HD2 PRO 52 2HD PRO 52 -6.603 -2.529 14.005 407 HD3 PRO 52 1HD PRO 52 -5.131 -3.490 13.785 408 H ASP 53 H ASP 53 -8.735 -2.958 11.565 409 HA ASP 53 HA ASP 53 -10.655 -4.514 10.024 410 HB2 ASP 53 2HB ASP 53 -11.520 -3.808 12.394 411 HB3 ASP 53 1HB ASP 53 -11.750 -2.239 11.627 412 H HIS 54 H HIS 54 -8.459 -2.097 9.874 413 HA HIS 54 HA HIS 54 -9.787 -1.123 7.498 414 HD1 HIS 54 1HD HIS 54 -6.999 1.817 9.036 415 HD2 HIS 54 2HD HIS 54 -9.872 0.527 11.744 416 HE1 HIS 54 1HE HIS 54 -6.110 2.438 11.304 417 HE2 HIS 54 2HE HIS 54 -7.946 1.801 12.907 418 HB2 HIS 54 2HB HIS 54 -9.334 1.262 7.990 419 HB3 HIS 54 1HB HIS 54 -10.530 0.538 9.050 420 H VAL 55 H VAL 55 -8.365 -0.000 5.975 421 HA VAL 55 HA VAL 55 -5.519 -0.326 6.529 422 HB VAL 55 HB VAL 55 -6.694 -2.279 5.189 423 HG11 VAL 55 1HG1 VAL 55 -7.466 -0.460 3.481 424 HG12 VAL 55 2HG1 VAL 55 -6.954 -2.054 2.931 425 HG13 VAL 55 3HG1 VAL 55 -5.845 -0.688 2.827 426 HG21 VAL 55 3HG2 VAL 55 -4.059 -1.131 4.301 427 HG22 VAL 55 1HG2 VAL 55 -4.584 -2.810 4.159 428 HG23 VAL 55 2HG2 VAL 55 -4.306 -2.104 5.752 429 H LEU 56 H LEU 56 -4.259 1.208 5.640 430 HA LEU 56 HA LEU 56 -5.558 3.197 3.892 431 HG LEU 56 HG LEU 56 -6.226 4.808 5.876 432 HB2 LEU 56 2HB LEU 56 -4.212 3.540 6.419 433 HB3 LEU 56 1HB LEU 56 -3.317 4.383 5.176 434 HD11 LEU 56 1HD1 LEU 56 -4.401 5.594 7.485 435 HD12 LEU 56 2HD1 LEU 56 -5.604 6.770 6.958 436 HD13 LEU 56 3HD1 LEU 56 -3.995 6.773 6.236 437 HD21 LEU 56 3HD2 LEU 56 -6.269 5.496 3.702 438 HD22 LEU 56 1HD2 LEU 56 -4.531 5.794 3.646 439 HD23 LEU 56 2HD2 LEU 56 -5.601 6.956 4.425 440 H MET 57 H MET 57 -4.409 3.933 2.125 441 HA MET 57 HA MET 57 -1.815 2.623 1.669 442 HB2 MET 57 2HB MET 57 -3.766 3.147 -0.552 443 HB3 MET 57 1HB MET 57 -2.390 2.050 -0.529 444 HG2 MET 57 2HG MET 57 -3.538 0.606 1.066 445 HG3 MET 57 1HG MET 57 -4.912 1.714 1.078 446 HE1 MET 57 3HE MET 57 -7.136 0.426 -1.523 447 HE2 MET 57 1HE MET 57 -6.746 1.773 -0.454 448 HE3 MET 57 2HE MET 57 -6.898 0.143 0.201 449 H ILE 58 H ILE 58 -0.256 4.135 1.605 450 HA ILE 58 HA ILE 58 -0.851 6.661 0.222 451 HB ILE 58 HB ILE 58 1.024 6.312 2.567 452 HG12 ILE 58 2HG1 ILE 58 -1.830 6.642 2.534 453 HG13 ILE 58 1HG1 ILE 58 -0.759 6.491 3.913 454 HG21 ILE 58 1HG2 ILE 58 0.082 8.790 1.140 455 HG22 ILE 58 2HG2 ILE 58 1.684 8.058 1.007 456 HG23 ILE 58 3HG2 ILE 58 1.152 8.745 2.541 457 HD11 ILE 58 3HD1 ILE 58 -0.573 8.780 4.185 458 HD12 ILE 58 1HD1 ILE 58 -2.260 8.565 3.724 459 HD13 ILE 58 2HD1 ILE 58 -1.084 9.124 2.532 460 H LEU 59 H LEU 59 0.647 7.348 -1.256 461 HA LEU 59 HA LEU 59 3.087 5.720 -1.496 462 HG LEU 59 HG LEU 59 1.268 6.704 -5.228 463 HB2 LEU 59 2HB LEU 59 2.909 5.583 -3.799 464 HB3 LEU 59 1HB LEU 59 1.267 5.331 -3.255 465 HD11 LEU 59 1HD1 LEU 59 0.647 8.328 -2.781 466 HD12 LEU 59 2HD1 LEU 59 -0.425 7.164 -3.558 467 HD13 LEU 59 3HD1 LEU 59 0.043 8.639 -4.406 468 HD21 LEU 59 3HD2 LEU 59 2.556 9.040 -4.020 469 HD22 LEU 59 1HD2 LEU 59 2.625 8.425 -5.664 470 HD23 LEU 59 2HD2 LEU 59 3.635 7.707 -4.415 471 H ASN 60 H ASN 60 4.970 6.726 -2.055 472 HA ASN 60 HA ASN 60 4.860 9.670 -2.220 473 HB2 ASN 60 2HB ASN 60 7.097 8.041 -0.987 474 HB3 ASN 60 1HB ASN 60 6.966 9.797 -1.021 475 HD21 ASN 60 1HD2 ASN 60 7.332 9.297 1.338 476 HD22 ASN 60 2HD2 ASN 60 5.921 9.087 2.313 477 H SER 61 H SER 61 5.102 10.008 -4.360 478 HA SER 61 HA SER 61 7.584 8.988 -5.565 479 HG SER 61 HG SER 61 5.602 6.954 -5.229 480 HB2 SER 61 2HB SER 61 5.295 8.764 -7.391 481 HB3 SER 61 1HB SER 61 6.652 7.672 -7.145 482 HA PRO 62 HA PRO 62 7.823 13.105 -7.192 483 HB2 PRO 62 2HB PRO 62 9.739 12.641 -9.047 484 HB3 PRO 62 1HB PRO 62 10.050 12.756 -7.314 485 HG2 PRO 62 2HG PRO 62 9.681 10.296 -8.991 486 HG3 PRO 62 1HG PRO 62 10.940 10.647 -7.788 487 HD2 PRO 62 2HD PRO 62 8.829 9.142 -7.177 488 HD3 PRO 62 1HD PRO 62 9.501 10.289 -6.004 489 H ASP 63 H ASP 63 6.704 10.421 -9.049 490 HA ASP 63 HA ASP 63 5.672 12.337 -11.008 491 HB2 ASP 63 2HB ASP 63 7.485 11.523 -12.243 492 HB3 ASP 63 1HB ASP 63 7.311 9.891 -11.611 493 H GLU 64 H GLU 64 3.625 11.770 -11.904 494 HA GLU 64 HA GLU 64 1.981 10.191 -10.212 495 HB2 GLU 64 2HB GLU 64 1.521 11.457 -12.886 496 HB3 GLU 64 1HB GLU 64 0.428 10.183 -12.376 497 HG2 GLU 64 2HG GLU 64 -0.662 11.955 -11.497 498 HG3 GLU 64 1HG GLU 64 0.391 11.563 -10.132 499 H ASP 65 H ASP 65 3.523 9.310 -13.332 500 HA ASP 65 HA ASP 65 2.386 6.837 -13.756 501 HB2 ASP 65 2HB ASP 65 4.204 7.991 -15.122 502 HB3 ASP 65 1HB ASP 65 5.356 7.343 -13.956 503 H SER 66 H SER 66 5.242 7.578 -11.806 504 HA SER 66 HA SER 66 5.541 5.040 -10.610 505 HG SER 66 HG SER 66 7.829 5.422 -9.099 506 HB2 SER 66 2HB SER 66 7.288 6.838 -10.598 507 HB3 SER 66 1HB SER 66 6.301 7.723 -9.433 508 H LEU 67 H LEU 67 4.212 8.037 -9.377 509 HA LEU 67 HA LEU 67 3.180 7.439 -6.973 510 HG LEU 67 HG LEU 67 0.967 9.185 -6.465 511 HB2 LEU 67 2HB LEU 67 3.009 9.637 -7.785 512 HB3 LEU 67 1HB LEU 67 2.157 9.140 -9.216 513 HD11 LEU 67 1HD1 LEU 67 -0.317 11.065 -7.972 514 HD12 LEU 67 2HD1 LEU 67 1.370 11.253 -8.442 515 HD13 LEU 67 3HD1 LEU 67 0.909 11.378 -6.745 516 HD21 LEU 67 3HD2 LEU 67 -0.387 7.689 -7.570 517 HD22 LEU 67 1HD2 LEU 67 -0.087 8.433 -9.141 518 HD23 LEU 67 2HD2 LEU 67 -1.159 9.218 -7.984 519 H ALA 68 H ALA 68 1.234 7.058 -9.960 520 HA ALA 68 HA ALA 68 -0.846 5.669 -8.635 521 HB1 ALA 68 3HB ALA 68 -1.339 4.886 -11.074 522 HB2 ALA 68 1HB ALA 68 -0.071 6.032 -11.508 523 HB3 ALA 68 2HB ALA 68 -1.511 6.591 -10.655 524 H HIS 69 H HIS 69 2.127 4.643 -10.208 525 HA HIS 69 HA HIS 69 1.665 1.912 -10.446 526 HD1 HIS 69 1HD HIS 69 6.068 1.882 -11.612 527 HD2 HIS 69 2HD HIS 69 2.737 -0.198 -10.253 528 HE1 HIS 69 1HE HIS 69 6.519 -0.533 -12.147 529 HE2 HIS 69 2HE HIS 69 4.452 -1.762 -11.392 530 HB2 HIS 69 2HB HIS 69 3.710 3.301 -11.193 531 HB3 HIS 69 1HB HIS 69 4.324 3.018 -9.569 532 H MET 70 H MET 70 2.653 3.838 -7.684 533 HA MET 70 HA MET 70 3.001 1.558 -5.955 534 HB2 MET 70 2HB MET 70 2.599 4.135 -4.624 535 HB3 MET 70 1HB MET 70 3.931 3.007 -4.476 536 HG2 MET 70 2HG MET 70 3.576 5.057 -6.647 537 HG3 MET 70 1HG MET 70 4.691 5.145 -5.288 538 HE1 MET 70 3HE MET 70 6.971 3.650 -5.116 539 HE2 MET 70 1HE MET 70 7.118 2.163 -6.054 540 HE3 MET 70 2HE MET 70 5.775 2.366 -4.931 541 H GLN 71 H GLN 71 0.624 4.271 -5.935 542 HA GLN 71 HA GLN 71 -1.007 3.207 -3.967 543 HB2 GLN 71 2HB GLN 71 -2.877 4.559 -5.193 544 HB3 GLN 71 1HB GLN 71 -1.581 5.389 -4.356 545 HG2 GLN 71 2HG GLN 71 -0.964 6.402 -6.223 546 HG3 GLN 71 1HG GLN 71 -0.908 4.883 -7.112 547 HE21 GLN 71 1HE2 GLN 71 -3.207 3.993 -7.549 548 HE22 GLN 71 2HE2 GLN 71 -4.323 5.143 -8.196 549 H ASN 72 H ASN 72 -0.835 2.340 -7.339 550 HA ASN 72 HA ASN 72 -3.351 0.923 -7.282 551 HB2 ASN 72 2HB ASN 72 -2.094 2.022 -9.327 552 HB3 ASN 72 1HB ASN 72 -1.319 0.441 -9.416 553 HD21 ASN 72 1HD2 ASN 72 -2.608 0.922 -11.557 554 HD22 ASN 72 2HD2 ASN 72 -4.159 0.164 -11.625 555 H VAL 73 H VAL 73 0.093 0.049 -7.319 556 HA VAL 73 HA VAL 73 -0.003 -2.668 -7.485 557 HB VAL 73 HB VAL 73 1.794 -0.827 -5.953 558 HG11 VAL 73 1HG1 VAL 73 3.252 -2.767 -5.404 559 HG12 VAL 73 2HG1 VAL 73 1.922 -3.836 -5.852 560 HG13 VAL 73 3HG1 VAL 73 1.741 -2.726 -4.493 561 HG21 VAL 73 3HG2 VAL 73 3.263 -1.158 -7.656 562 HG22 VAL 73 1HG2 VAL 73 1.760 -1.464 -8.526 563 HG23 VAL 73 2HG2 VAL 73 2.731 -2.815 -7.942 564 H VAL 74 H VAL 74 -0.674 -0.698 -4.629 565 HA VAL 74 HA VAL 74 -1.010 -2.919 -2.866 566 HB VAL 74 HB VAL 74 -1.981 -0.074 -2.595 567 HG11 VAL 74 1HG1 VAL 74 -1.745 -2.155 -0.428 568 HG12 VAL 74 2HG1 VAL 74 -3.259 -1.694 -1.205 569 HG13 VAL 74 3HG1 VAL 74 -2.354 -0.510 -0.265 570 HG21 VAL 74 3HG2 VAL 74 0.048 -0.572 -0.752 571 HG22 VAL 74 1HG2 VAL 74 0.164 0.398 -2.220 572 HG23 VAL 74 2HG2 VAL 74 0.608 -1.309 -2.253 573 H ALA 75 H ALA 75 -3.329 -0.803 -4.602 574 HA ALA 75 HA ALA 75 -5.717 -1.772 -3.686 575 HB1 ALA 75 3HB ALA 75 -4.927 -0.921 -6.466 576 HB2 ALA 75 1HB ALA 75 -5.777 0.015 -5.235 577 HB3 ALA 75 2HB ALA 75 -6.583 -1.336 -6.032 578 H ASP 76 H ASP 76 -3.396 -3.298 -5.754 579 HA ASP 76 HA ASP 76 -5.098 -5.428 -6.639 580 HB2 ASP 76 2HB ASP 76 -3.035 -4.653 -7.846 581 HB3 ASP 76 1HB ASP 76 -2.076 -5.384 -6.562 582 H HIS 77 H HIS 77 -2.653 -5.064 -4.098 583 HA HIS 77 HA HIS 77 -2.636 -7.718 -3.211 584 HD1 HIS 77 1HD HIS 77 -1.045 -6.635 -4.617 585 HD2 HIS 77 2HD HIS 77 0.765 -4.852 -1.329 586 HE1 HIS 77 1HE HIS 77 1.220 -5.891 -5.417 587 HE2 HIS 77 2HE HIS 77 2.328 -4.891 -3.387 588 HB2 HIS 77 2HB HIS 77 -2.186 -5.270 -1.494 589 HB3 HIS 77 1HB HIS 77 -1.589 -6.892 -1.198 590 H LEU 78 H LEU 78 -4.714 -5.000 -2.249 591 HA LEU 78 HA LEU 78 -6.042 -6.350 -0.159 592 HG LEU 78 HG LEU 78 -5.169 -3.164 -0.424 593 HB2 LEU 78 2HB LEU 78 -6.810 -3.989 -1.871 594 HB3 LEU 78 1HB LEU 78 -7.816 -4.573 -0.563 595 HD11 LEU 78 1HD1 LEU 78 -6.311 -1.678 0.995 596 HD12 LEU 78 2HD1 LEU 78 -7.655 -2.798 1.221 597 HD13 LEU 78 3HD1 LEU 78 -7.416 -2.009 -0.339 598 HD21 LEU 78 3HD2 LEU 78 -6.335 -5.042 1.615 599 HD22 LEU 78 1HD2 LEU 78 -5.285 -3.702 2.076 600 HD23 LEU 78 2HD2 LEU 78 -4.683 -4.965 1.004 601 H GLN 79 H GLN 79 -6.464 -6.297 -3.627 602 HA GLN 79 HA GLN 79 -9.112 -7.366 -3.600 603 HB2 GLN 79 2HB GLN 79 -9.084 -7.061 -5.833 604 HB3 GLN 79 1HB GLN 79 -7.652 -6.114 -5.475 605 HG2 GLN 79 2HG GLN 79 -6.363 -8.308 -5.861 606 HG3 GLN 79 1HG GLN 79 -7.846 -8.864 -6.633 607 HE21 GLN 79 1HE2 GLN 79 -5.477 -8.676 -8.020 608 HE22 GLN 79 2HE2 GLN 79 -5.598 -7.413 -9.192 609 H ARG 80 H ARG 80 -5.901 -8.840 -3.999 610 HA ARG 80 HA ARG 80 -6.715 -11.416 -4.678 611 HE ARG 80 HE ARG 80 -2.144 -11.498 -3.677 612 HB2 ARG 80 2HB ARG 80 -4.365 -10.667 -2.926 613 HB3 ARG 80 1HB ARG 80 -4.561 -12.170 -3.817 614 HG2 ARG 80 2HG ARG 80 -4.824 -10.301 -5.780 615 HG3 ARG 80 1HG ARG 80 -3.630 -9.557 -4.718 616 HD2 ARG 80 2HD ARG 80 -3.469 -12.342 -5.869 617 HD3 ARG 80 1HD ARG 80 -2.585 -10.936 -6.463 618 HH11 ARG 80 1HH1 ARG 80 -1.120 -12.200 -6.939 619 HH12 ARG 80 2HH1 ARG 80 0.471 -12.694 -6.467 620 HH21 ARG 80 1HH2 ARG 80 -0.052 -12.148 -3.054 621 HH22 ARG 80 2HH2 ARG 80 1.078 -12.664 -4.261 622 H MET 81 H MET 81 -6.369 -9.850 -1.575 623 HA MET 81 HA MET 81 -7.172 -12.217 -0.116 624 HB2 MET 81 2HB MET 81 -6.933 -10.812 1.884 625 HB3 MET 81 1HB MET 81 -5.510 -10.775 0.860 626 HG2 MET 81 2HG MET 81 -5.790 -8.579 1.561 627 HG3 MET 81 1HG MET 81 -6.414 -8.601 -0.082 628 HE1 MET 81 3HE MET 81 -8.361 -7.674 3.812 629 HE2 MET 81 1HE MET 81 -7.524 -6.430 2.883 630 HE3 MET 81 2HE MET 81 -6.674 -7.902 3.351 631 H ALA 82 H ALA 82 -8.812 -9.710 -1.689 632 HA ALA 82 HA ALA 82 -11.275 -10.440 -0.243 633 HB1 ALA 82 3HB ALA 82 -10.323 -7.641 -0.805 634 HB2 ALA 82 1HB ALA 82 -10.706 -8.371 0.755 635 HB3 ALA 82 2HB ALA 82 -11.995 -8.032 -0.400 636 H ASN 83 H ASN 83 -12.673 -11.239 -1.632 637 HA ASN 83 HA ASN 83 -13.753 -11.750 -3.573 638 HB2 ASN 83 2HB ASN 83 -13.696 -8.779 -3.411 639 HB3 ASN 83 1HB ASN 83 -14.274 -9.502 -4.910 640 HD21 ASN 83 1HD2 ASN 83 -14.627 -10.169 -1.438 641 HD22 ASN 83 2HD2 ASN 83 -16.348 -10.311 -1.470 642 H SER 84 H SER 84 -13.805 -11.005 -6.093 643 HA SER 84 HA SER 84 -11.044 -11.411 -7.008 644 HG SER 84 HG SER 84 -11.576 -11.817 -9.753 645 HB2 SER 84 2HB SER 84 -12.828 -13.127 -7.566 646 HB3 SER 84 1HB SER 84 -13.564 -11.901 -8.600 647 H GLU 85 H GLU 85 -13.724 -9.232 -7.133 648 HA GLU 85 HA GLU 85 -13.204 -7.850 -9.503 649 HB2 GLU 85 2HB GLU 85 -14.413 -5.976 -8.479 650 HB3 GLU 85 1HB GLU 85 -15.236 -7.501 -8.186 651 HG2 GLU 85 2HG GLU 85 -14.017 -7.522 -5.942 652 HG3 GLU 85 1HG GLU 85 -13.664 -5.825 -6.266 653 H SER 86 H SER 86 -12.530 -5.368 -9.336 654 HA SER 86 HA SER 86 -9.778 -5.436 -8.394 655 HG SER 86 HG SER 86 -11.127 -5.364 -10.997 656 HB2 SER 86 2HB SER 86 -11.169 -3.243 -9.947 657 HB3 SER 86 1HB SER 86 -9.431 -3.468 -9.745 658 H LEU 87 H LEU 87 -10.651 -5.456 -6.155 659 HA LEU 87 HA LEU 87 -11.572 -4.364 -4.266 660 HG LEU 87 HG LEU 87 -8.456 -4.511 -2.669 661 HB2 LEU 87 2HB LEU 87 -8.801 -3.945 -4.806 662 HB3 LEU 87 1HB LEU 87 -9.435 -2.471 -4.110 663 HD11 LEU 87 1HD1 LEU 87 -8.834 -2.375 -1.739 664 HD12 LEU 87 2HD1 LEU 87 -9.748 -3.519 -0.756 665 HD13 LEU 87 3HD1 LEU 87 -10.580 -2.518 -1.946 666 HD21 LEU 87 3HD2 LEU 87 -10.104 -5.863 -1.699 667 HD22 LEU 87 1HD2 LEU 87 -10.436 -5.926 -3.429 668 HD23 LEU 87 2HD2 LEU 87 -11.416 -4.903 -2.380 669 H GLU 88 H GLU 88 -13.275 -3.030 -4.142 670 HA GLU 88 HA GLU 88 -13.396 -0.583 -5.625 671 HB2 GLU 88 2HB GLU 88 -15.437 -1.835 -4.947 672 HB3 GLU 88 1HB GLU 88 -15.075 -1.479 -3.264 673 HG2 GLU 88 2HG GLU 88 -15.596 0.764 -3.488 674 HG3 GLU 88 1HG GLU 88 -15.390 0.739 -5.240 675 H ILE 89 H ILE 89 -11.738 0.763 -5.116 676 HA ILE 89 HA ILE 89 -11.648 1.738 -2.352 677 HB ILE 89 HB ILE 89 -9.299 1.698 -2.213 678 HG12 ILE 89 2HG1 ILE 89 -8.969 2.539 -4.622 679 HG13 ILE 89 1HG1 ILE 89 -7.753 1.455 -3.972 680 HG21 ILE 89 1HG2 ILE 89 -8.653 -0.646 -2.912 681 HG22 ILE 89 2HG2 ILE 89 -10.290 -0.785 -3.552 682 HG23 ILE 89 3HG2 ILE 89 -10.041 -0.485 -1.834 683 HD11 ILE 89 3HD1 ILE 89 -8.260 0.856 -6.242 684 HD12 ILE 89 1HD1 ILE 89 -9.974 0.711 -5.856 685 HD13 ILE 89 2HD1 ILE 89 -8.814 -0.417 -5.152 686 H ALA 90 H ALA 90 -11.721 3.971 -2.200 687 HA ALA 90 HA ALA 90 -11.755 5.429 -4.712 688 HB1 ALA 90 3HB ALA 90 -12.507 7.333 -3.485 689 HB2 ALA 90 1HB ALA 90 -12.045 6.610 -1.947 690 HB3 ALA 90 2HB ALA 90 -13.394 5.940 -2.870 691 H TRP 91 H TRP 91 -9.897 5.953 -5.584 692 HA TRP 91 HA TRP 91 -7.596 6.542 -3.883 693 HD1 TRP 91 HD TRP 91 -8.964 4.194 -7.439 694 HE1 TRP 91 1HE TRP 91 -9.682 5.090 -9.743 695 HE3 TRP 91 3HE TRP 91 -6.611 8.732 -7.317 696 HZ2 TRP 91 2HZ TRP 91 -9.302 7.412 -11.301 697 HZ3 TRP 91 3HZ TRP 91 -6.839 10.231 -9.255 698 HH2 TRP 91 HH TRP 91 -8.156 9.584 -11.205 699 HB2 TRP 91 2HB TRP 91 -6.299 6.432 -5.998 700 HB3 TRP 91 1HB TRP 91 -7.198 4.953 -5.671 701 H GLN 92 H GLN 92 -6.717 8.510 -3.687 702 HA GLN 92 HA GLN 92 -8.153 10.746 -4.864 703 HB2 GLN 92 2HB GLN 92 -5.982 10.595 -2.771 704 HB3 GLN 92 1HB GLN 92 -6.647 12.109 -3.366 705 HG2 GLN 92 2HG GLN 92 -8.764 11.662 -2.452 706 HG3 GLN 92 1HG GLN 92 -8.371 9.967 -2.168 707 HE21 GLN 92 1HE2 GLN 92 -9.260 10.703 -0.020 708 HE22 GLN 92 2HE2 GLN 92 -8.116 11.295 1.133 709 HA PRO 93 HA PRO 93 -5.519 11.779 -8.223 710 HB2 PRO 93 2HB PRO 93 -5.251 14.426 -6.882 711 HB3 PRO 93 1HB PRO 93 -5.642 14.059 -8.566 712 HG2 PRO 93 2HG PRO 93 -7.552 14.800 -6.860 713 HG3 PRO 93 1HG PRO 93 -7.853 13.550 -8.082 714 HD2 PRO 93 2HD PRO 93 -7.464 13.276 -5.150 715 HD3 PRO 93 1HD PRO 93 -8.413 12.273 -6.265 716 H ALA 94 H ALA 94 -4.476 12.877 -5.018 717 HA ALA 94 HA ALA 94 -2.453 12.301 -3.984 718 HB1 ALA 94 3HB ALA 94 -0.671 11.320 -5.056 719 HB2 ALA 94 1HB ALA 94 -0.968 12.187 -6.560 720 HB3 ALA 94 2HB ALA 94 -1.993 10.825 -6.115 721 H GLU 95 H GLU 95 -2.626 14.402 -6.798 722 HA GLU 95 HA GLU 95 -1.178 16.452 -5.266 723 HB2 GLU 95 2HB GLU 95 0.045 15.244 -7.293 724 HB3 GLU 95 1HB GLU 95 -0.890 16.398 -8.234 725 HG2 GLU 95 2HG GLU 95 0.165 17.997 -6.302 726 HG3 GLU 95 1HG GLU 95 1.448 16.810 -6.529 727 H SER 96 H SER 96 -1.673 18.657 -5.907 728 HA SER 96 HA SER 96 -4.301 18.907 -7.215 729 HG SER 96 HG SER 96 -5.135 18.384 -5.066 730 HB2 SER 96 2HB SER 96 -3.354 19.924 -4.596 731 HB3 SER 96 1HB SER 96 -4.314 21.044 -5.563 Start of MODEL 7 1 HA MET 1 HA MET 1 7.011 13.393 -5.027 2 HB2 MET 1 2HB MET 1 7.605 13.747 -2.705 3 HB3 MET 1 1HB MET 1 8.920 14.269 -3.750 4 HG2 MET 1 2HG MET 1 7.060 16.410 -3.091 5 HG3 MET 1 1HG MET 1 7.834 15.698 -1.680 6 HE1 MET 1 3HE MET 1 8.820 19.004 -2.413 7 HE2 MET 1 1HE MET 1 10.198 18.386 -1.502 8 HE3 MET 1 2HE MET 1 8.567 17.834 -1.117 9 H PHE 2 H PHE 2 4.907 13.359 -5.560 10 HA PHE 2 HA PHE 2 3.064 15.164 -4.151 11 HD1 PHE 2 2HD PHE 2 3.583 16.570 -6.521 12 HD2 PHE 2 1HD PHE 2 3.005 12.655 -8.087 13 HE1 PHE 2 2HE PHE 2 4.882 17.181 -8.518 14 HE2 PHE 2 1HE PHE 2 4.289 13.266 -10.089 15 HZ PHE 2 HZ PHE 2 5.238 15.527 -10.308 16 HB2 PHE 2 2HB PHE 2 1.991 13.221 -6.118 17 HB3 PHE 2 1HB PHE 2 1.586 14.917 -5.882 18 H ARG 3 H ARG 3 0.912 13.976 -3.435 19 HA ARG 3 HA ARG 3 1.464 11.250 -2.608 20 HE ARG 3 HE ARG 3 4.591 10.652 1.502 21 HB2 ARG 3 2HB ARG 3 1.985 13.350 -0.815 22 HB3 ARG 3 1HB ARG 3 0.477 12.624 -0.273 23 HG2 ARG 3 2HG ARG 3 1.748 11.131 0.762 24 HG3 ARG 3 1HG ARG 3 2.039 10.444 -0.823 25 HD2 ARG 3 2HD ARG 3 4.191 10.996 -0.727 26 HD3 ARG 3 1HD ARG 3 3.790 12.676 -0.377 27 HH11 ARG 3 1HH1 ARG 3 2.905 13.682 1.099 28 HH12 ARG 3 2HH1 ARG 3 3.119 14.163 2.749 29 HH21 ARG 3 1HH2 ARG 3 4.872 11.284 3.672 30 HH22 ARG 3 2HH2 ARG 3 4.236 12.803 4.209 31 H SER 4 H SER 4 -0.253 10.035 -2.795 32 HA SER 4 HA SER 4 -2.943 11.225 -2.693 33 HG SER 4 HG SER 4 -4.485 9.146 -4.181 34 HB2 SER 4 2HB SER 4 -2.904 10.445 -4.876 35 HB3 SER 4 1HB SER 4 -1.698 9.205 -4.516 36 H THR 5 H THR 5 -4.641 9.636 -1.905 37 HA THR 5 HA THR 5 -3.531 7.509 -0.266 38 HB THR 5 HB THR 5 -4.526 8.234 1.796 39 HG1 THR 5 1HG THR 5 -6.365 9.239 1.207 40 HG21 THR 5 3HG2 THR 5 -3.182 9.967 2.423 41 HG22 THR 5 1HG2 THR 5 -3.384 10.834 0.903 42 HG23 THR 5 2HG2 THR 5 -2.336 9.417 0.980 43 H SER 6 H SER 6 -4.706 5.739 -0.318 44 HA SER 6 HA SER 6 -7.521 5.962 -1.179 45 HG SER 6 HG SER 6 -4.599 4.264 -2.546 46 HB2 SER 6 2HB SER 6 -6.038 3.368 -1.304 47 HB3 SER 6 1HB SER 6 -7.315 3.981 -2.353 48 H HIS 7 H HIS 7 -9.111 5.224 0.125 49 HA HIS 7 HA HIS 7 -8.308 3.798 2.586 50 HD1 HIS 7 1HD HIS 7 -9.857 6.955 5.071 51 HD2 HIS 7 2HD HIS 7 -10.104 2.850 4.478 52 HE1 HIS 7 1HE HIS 7 -10.088 5.956 7.366 53 HE2 HIS 7 2HE HIS 7 -10.326 3.479 6.974 54 HB2 HIS 7 2HB HIS 7 -9.249 6.227 2.696 55 HB3 HIS 7 1HB HIS 7 -10.803 5.456 2.406 56 H VAL 8 H VAL 8 -9.247 1.872 3.015 57 HA VAL 8 HA VAL 8 -11.761 1.168 1.675 58 HB VAL 8 HB VAL 8 -9.556 -0.864 1.779 59 HG11 VAL 8 1HG1 VAL 8 -10.795 -1.925 0.011 60 HG12 VAL 8 2HG1 VAL 8 -11.888 -0.546 -0.105 61 HG13 VAL 8 3HG1 VAL 8 -11.891 -1.556 1.342 62 HG21 VAL 8 3HG2 VAL 8 -10.024 0.957 -0.575 63 HG22 VAL 8 1HG2 VAL 8 -8.804 -0.305 -0.417 64 HG23 VAL 8 2HG2 VAL 8 -8.701 1.149 0.575 65 H ARG 9 H ARG 9 -12.934 -0.577 2.719 66 HA ARG 9 HA ARG 9 -12.152 -0.851 5.534 67 HE ARG 9 HE ARG 9 -15.532 0.854 3.706 68 HB2 ARG 9 2HB ARG 9 -14.776 -0.944 4.131 69 HB3 ARG 9 1HB ARG 9 -14.584 -1.928 5.574 70 HG2 ARG 9 2HG ARG 9 -15.525 0.170 6.208 71 HG3 ARG 9 1HG ARG 9 -13.864 0.098 6.804 72 HD2 ARG 9 2HD ARG 9 -14.454 2.287 5.806 73 HD3 ARG 9 1HD ARG 9 -13.100 1.494 5.003 74 HH11 ARG 9 1HH1 ARG 9 -13.248 3.461 4.109 75 HH12 ARG 9 2HH1 ARG 9 -13.612 4.184 2.578 76 HH21 ARG 9 1HH2 ARG 9 -16.013 1.802 1.693 77 HH22 ARG 9 2HH2 ARG 9 -15.183 3.243 1.206 78 H THR 10 H THR 10 -10.851 -2.557 5.817 79 HA THR 10 HA THR 10 -11.732 -5.154 4.752 80 HB THR 10 HB THR 10 -9.495 -3.789 3.872 81 HG1 THR 10 1HG THR 10 -10.206 -5.364 2.610 82 HG21 THR 10 3HG2 THR 10 -8.355 -6.123 5.289 83 HG22 THR 10 1HG2 THR 10 -8.536 -4.608 6.178 84 HG23 THR 10 2HG2 THR 10 -7.571 -4.657 4.695 85 H GLU 11 H GLU 11 -10.993 -7.037 5.984 86 HA GLU 11 HA GLU 11 -10.611 -6.363 8.824 87 HB2 GLU 11 2HB GLU 11 -12.348 -8.173 7.485 88 HB3 GLU 11 1HB GLU 11 -11.245 -9.120 8.476 89 HG2 GLU 11 2HG GLU 11 -12.289 -8.535 10.338 90 HG3 GLU 11 1HG GLU 11 -12.224 -6.825 9.913 91 H SER 12 H SER 12 -9.008 -7.378 10.076 92 HA SER 12 HA SER 12 -6.978 -8.279 10.526 93 HG SER 12 HG SER 12 -5.634 -10.269 8.386 94 HB2 SER 12 2HB SER 12 -7.923 -10.398 10.049 95 HB3 SER 12 1HB SER 12 -7.871 -10.119 8.308 96 H ALA 13 H ALA 13 -7.274 -6.128 8.540 97 HA ALA 13 HA ALA 13 -5.585 -6.232 6.365 98 HB1 ALA 13 3HB ALA 13 -5.431 -3.878 6.463 99 HB2 ALA 13 1HB ALA 13 -5.748 -3.888 8.190 100 HB3 ALA 13 2HB ALA 13 -7.028 -4.314 7.066 101 H ALA 14 H ALA 14 -4.615 -5.221 9.627 102 HA ALA 14 HA ALA 14 -2.031 -4.518 9.258 103 HB1 ALA 14 3HB ALA 14 -1.579 -5.199 11.545 104 HB2 ALA 14 1HB ALA 14 -3.038 -6.191 11.547 105 HB3 ALA 14 2HB ALA 14 -3.164 -4.437 11.394 106 H ARG 15 H ARG 15 -3.164 -7.813 8.952 107 HA ARG 15 HA ARG 15 -0.515 -8.946 9.138 108 HE ARG 15 HE ARG 15 0.834 -13.324 8.459 109 HB2 ARG 15 2HB ARG 15 -2.841 -10.040 9.645 110 HB3 ARG 15 1HB ARG 15 -2.840 -10.384 7.925 111 HG2 ARG 15 2HG ARG 15 -1.252 -11.570 10.097 112 HG3 ARG 15 1HG ARG 15 -1.911 -12.295 8.636 113 HD2 ARG 15 2HD ARG 15 -0.098 -11.516 7.317 114 HD3 ARG 15 1HD ARG 15 0.460 -10.437 8.593 115 HH11 ARG 15 1HH1 ARG 15 1.233 -10.361 10.270 116 HH12 ARG 15 2HH1 ARG 15 2.442 -11.022 11.316 117 HH21 ARG 15 1HH2 ARG 15 2.420 -14.188 9.840 118 HH22 ARG 15 2HH2 ARG 15 3.116 -13.191 11.074 119 H TYR 16 H TYR 16 -2.738 -8.097 6.542 120 HA TYR 16 HA TYR 16 -1.174 -9.291 4.488 121 HD1 TYR 16 1HD TYR 16 -2.802 -10.673 4.799 122 HD2 TYR 16 2HD TYR 16 -5.444 -7.581 3.518 123 HE1 TYR 16 1HE TYR 16 -4.704 -12.177 5.092 124 HE2 TYR 16 2HE TYR 16 -7.353 -9.092 3.819 125 HH TYR 16 HH TYR 16 -7.094 -12.348 4.082 126 HB2 TYR 16 2HB TYR 16 -3.173 -7.037 4.220 127 HB3 TYR 16 1HB TYR 16 -2.547 -8.025 2.911 128 H VAL 17 H VAL 17 -0.899 -6.320 6.230 129 HA VAL 17 HA VAL 17 0.807 -5.061 4.257 130 HB VAL 17 HB VAL 17 -0.003 -4.324 7.060 131 HG11 VAL 17 1HG1 VAL 17 2.457 -3.509 5.686 132 HG12 VAL 17 2HG1 VAL 17 2.023 -3.410 7.395 133 HG13 VAL 17 3HG1 VAL 17 1.459 -2.178 6.270 134 HG21 VAL 17 3HG2 VAL 17 -0.139 -2.777 4.488 135 HG22 VAL 17 1HG2 VAL 17 -0.836 -2.322 6.042 136 HG23 VAL 17 2HG2 VAL 17 -1.465 -3.725 5.166 137 H ASN 18 H ASN 18 1.181 -6.682 7.388 138 HA ASN 18 HA ASN 18 4.004 -6.396 7.486 139 HB2 ASN 18 2HB ASN 18 2.354 -8.468 8.931 140 HB3 ASN 18 1HB ASN 18 3.925 -7.827 9.406 141 HD21 ASN 18 1HD2 ASN 18 1.743 -7.847 11.104 142 HD22 ASN 18 2HD2 ASN 18 1.252 -6.218 11.408 143 H ARG 19 H ARG 19 1.900 -8.829 6.080 144 HA ARG 19 HA ARG 19 3.929 -10.815 5.838 145 HE ARG 19 HE ARG 19 1.970 -15.342 6.450 146 HB2 ARG 19 2HB ARG 19 1.253 -10.908 5.705 147 HB3 ARG 19 1HB ARG 19 1.616 -10.855 3.984 148 HG2 ARG 19 2HG ARG 19 2.040 -13.021 4.021 149 HG3 ARG 19 1HG ARG 19 3.367 -12.727 5.144 150 HD2 ARG 19 2HD ARG 19 2.047 -13.143 7.011 151 HD3 ARG 19 1HD ARG 19 0.543 -12.922 6.116 152 HH11 ARG 19 1HH1 ARG 19 0.118 -13.563 4.087 153 HH12 ARG 19 2HH1 ARG 19 -0.397 -14.982 3.238 154 HH21 ARG 19 1HH2 ARG 19 1.295 -17.209 5.334 155 HH22 ARG 19 2HH2 ARG 19 0.272 -17.052 3.946 156 H LEU 20 H LEU 20 3.187 -8.004 4.037 157 HA LEU 20 HA LEU 20 4.165 -8.911 1.509 158 HG LEU 20 HG LEU 20 1.693 -6.951 2.565 159 HB2 LEU 20 2HB LEU 20 3.887 -6.098 2.546 160 HB3 LEU 20 1HB LEU 20 4.142 -6.548 0.872 161 HD11 LEU 20 1HD1 LEU 20 2.061 -5.684 -0.142 162 HD12 LEU 20 2HD1 LEU 20 2.079 -4.795 1.381 163 HD13 LEU 20 3HD1 LEU 20 0.616 -5.641 0.871 164 HD21 LEU 20 3HD2 LEU 20 1.975 -9.049 1.399 165 HD22 LEU 20 1HD2 LEU 20 2.294 -8.208 -0.119 166 HD23 LEU 20 2HD2 LEU 20 0.695 -8.126 0.616 167 H CYS 21 H CYS 21 5.604 -6.976 4.128 168 HA CYS 21 HA CYS 21 8.013 -6.390 2.859 169 HG CYS 21 HG CYS 21 6.854 -4.262 5.028 170 HB2 CYS 21 2HB CYS 21 7.999 -7.011 5.798 171 HB3 CYS 21 1HB CYS 21 8.865 -5.752 4.935 172 H LYS 22 H LYS 22 6.958 -9.307 4.468 173 HA LYS 22 HA LYS 22 9.561 -10.556 4.279 174 HB2 LYS 22 2HB LYS 22 6.883 -11.761 4.986 175 HB3 LYS 22 1HB LYS 22 8.453 -12.523 5.206 176 HG2 LYS 22 2HG LYS 22 8.798 -11.485 7.145 177 HG3 LYS 22 1HG LYS 22 8.299 -9.924 6.494 178 HD2 LYS 22 2HD LYS 22 6.771 -10.454 8.231 179 HD3 LYS 22 1HD LYS 22 5.915 -10.723 6.709 180 HE2 LYS 22 2HE LYS 22 5.383 -12.585 8.017 181 HE3 LYS 22 1HE LYS 22 6.648 -13.155 6.929 182 HZ1 LYS 22 3HZ LYS 22 8.105 -13.413 8.613 183 HZ2 LYS 22 1HZ LYS 22 6.701 -13.555 9.545 184 HZ3 LYS 22 2HZ LYS 22 7.531 -12.082 9.486 185 H HIS 23 H HIS 23 6.776 -10.182 2.321 186 HA HIS 23 HA HIS 23 7.235 -12.525 0.706 187 HD1 HIS 23 1HD HIS 23 6.250 -11.547 -2.353 188 HD2 HIS 23 2HD HIS 23 3.487 -13.434 0.111 189 HE1 HIS 23 1HE HIS 23 5.099 -13.242 -3.809 190 HE2 HIS 23 2HE HIS 23 3.503 -14.440 -2.272 191 HB2 HIS 23 2HB HIS 23 4.958 -11.481 1.236 192 HB3 HIS 23 1HB HIS 23 5.373 -10.255 0.043 193 H TRP 24 H TRP 24 7.089 -9.019 -0.077 194 HA TRP 24 HA TRP 24 8.604 -9.536 -2.501 195 HD1 TRP 24 HD TRP 24 4.926 -6.808 -1.802 196 HE1 TRP 24 1HE TRP 24 3.227 -7.971 -3.347 197 HE3 TRP 24 3HE TRP 24 8.130 -9.819 -4.414 198 HZ2 TRP 24 2HZ TRP 24 3.242 -9.908 -5.400 199 HZ3 TRP 24 3HZ TRP 24 7.206 -11.296 -6.151 200 HH2 TRP 24 HH TRP 24 4.813 -11.339 -6.633 201 HB2 TRP 24 2HB TRP 24 7.431 -6.997 -1.364 202 HB3 TRP 24 1HB TRP 24 8.253 -7.109 -2.918 203 H GLY 25 H GLY 25 9.387 -8.795 0.730 204 HA2 GLY 25 2HA GLY 25 11.595 -7.058 0.279 205 HA3 GLY 25 1HA GLY 25 11.297 -7.995 1.729 206 H HIS 26 H HIS 26 12.245 -8.566 -1.656 207 HA HIS 26 HA HIS 26 14.206 -10.522 -0.654 208 HD1 HIS 26 1HD HIS 26 14.897 -12.509 -4.206 209 HD2 HIS 26 2HD HIS 26 13.136 -13.115 -0.493 210 HE1 HIS 26 1HE HIS 26 15.567 -14.832 -3.517 211 HE2 HIS 26 2HE HIS 26 14.566 -15.142 -1.226 212 HB2 HIS 26 2HB HIS 26 12.203 -11.000 -2.433 213 HB3 HIS 26 1HB HIS 26 13.519 -10.581 -3.525 214 H LYS 27 H LYS 27 13.699 -7.659 -2.568 215 HA LYS 27 HA LYS 27 16.584 -7.264 -2.715 216 HB2 LYS 27 2HB LYS 27 16.250 -8.416 -4.771 217 HB3 LYS 27 1HB LYS 27 14.789 -7.512 -5.127 218 HG2 LYS 27 2HG LYS 27 17.147 -5.813 -4.858 219 HG3 LYS 27 1HG LYS 27 17.288 -7.017 -6.140 220 HD2 LYS 27 2HD LYS 27 15.798 -5.968 -7.432 221 HD3 LYS 27 1HD LYS 27 14.678 -5.741 -6.089 222 HE2 LYS 27 2HE LYS 27 15.739 -3.678 -7.279 223 HE3 LYS 27 1HE LYS 27 15.546 -3.695 -5.529 224 HZ1 LYS 27 3HZ LYS 27 18.054 -4.739 -6.593 225 HZ2 LYS 27 1HZ LYS 27 17.767 -3.830 -5.194 226 HZ3 LYS 27 2HZ LYS 27 17.821 -3.067 -6.703 227 H PHE 28 H PHE 28 14.054 -6.077 -1.478 228 HA PHE 28 HA PHE 28 14.656 -3.323 -2.253 229 HD1 PHE 28 2HD PHE 28 13.172 -1.638 -3.940 230 HD2 PHE 28 1HD PHE 28 11.989 -5.721 -4.126 231 HE1 PHE 28 2HE PHE 28 13.198 -1.530 -6.399 232 HE2 PHE 28 1HE PHE 28 12.015 -5.623 -6.584 233 HZ PHE 28 HZ PHE 28 12.619 -3.526 -7.723 234 HB2 PHE 28 2HB PHE 28 11.917 -4.557 -2.075 235 HB3 PHE 28 1HB PHE 28 12.178 -2.816 -1.997 236 H GLU 29 H GLU 29 14.024 -1.717 -0.673 237 HA GLU 29 HA GLU 29 14.585 -2.688 1.991 238 HB2 GLU 29 2HB GLU 29 14.570 -0.303 2.634 239 HB3 GLU 29 1HB GLU 29 15.642 -0.630 1.282 240 HG2 GLU 29 2HG GLU 29 14.086 0.318 -0.266 241 HG3 GLU 29 1HG GLU 29 12.865 0.482 0.993 242 H VAL 30 H VAL 30 12.897 -3.801 2.801 243 HA VAL 30 HA VAL 30 10.309 -2.416 2.889 244 HB VAL 30 HB VAL 30 9.430 -4.810 3.352 245 HG11 VAL 30 1HG1 VAL 30 10.431 -3.972 0.635 246 HG12 VAL 30 2HG1 VAL 30 8.867 -3.594 1.351 247 HG13 VAL 30 3HG1 VAL 30 9.257 -5.254 0.926 248 HG21 VAL 30 3HG2 VAL 30 11.869 -5.637 3.530 249 HG22 VAL 30 1HG2 VAL 30 11.836 -5.623 1.764 250 HG23 VAL 30 2HG2 VAL 30 10.692 -6.626 2.665 251 H GLU 31 H GLU 31 9.810 -1.602 4.818 252 HA GLU 31 HA GLU 31 10.938 -2.822 7.234 253 HB2 GLU 31 2HB GLU 31 10.285 -0.118 6.428 254 HB3 GLU 31 1HB GLU 31 9.495 -0.521 7.946 255 HG2 GLU 31 2HG GLU 31 11.397 0.012 8.946 256 HG3 GLU 31 1HG GLU 31 12.067 -1.474 8.271 257 H LEU 32 H LEU 32 9.566 -3.316 9.042 258 HA LEU 32 HA LEU 32 6.715 -3.602 8.347 259 HG LEU 32 HG LEU 32 5.769 -6.141 8.220 260 HB2 LEU 32 2HB LEU 32 8.097 -5.727 8.124 261 HB3 LEU 32 1HB LEU 32 8.248 -5.702 9.870 262 HD11 LEU 32 1HD1 LEU 32 7.619 -7.856 9.378 263 HD12 LEU 32 2HD1 LEU 32 6.012 -8.276 8.782 264 HD13 LEU 32 3HD1 LEU 32 6.245 -7.874 10.483 265 HD21 LEU 32 3HD2 LEU 32 4.920 -4.694 9.854 266 HD22 LEU 32 1HD2 LEU 32 5.982 -5.339 11.106 267 HD23 LEU 32 2HD2 LEU 32 4.634 -6.303 10.512 268 H THR 33 H THR 33 5.608 -2.360 9.679 269 HA THR 33 HA THR 33 6.262 -2.476 12.573 270 HB THR 33 HB THR 33 4.972 -0.122 12.405 271 HG1 THR 33 1HG THR 33 5.517 0.959 10.552 272 HG21 THR 33 3HG2 THR 33 7.904 -0.542 11.910 273 HG22 THR 33 1HG2 THR 33 7.100 -0.249 13.452 274 HG23 THR 33 2HG2 THR 33 7.170 1.028 12.238 275 HA PRO 34 HA PRO 34 2.085 -3.899 12.904 276 HB2 PRO 34 2HB PRO 34 1.458 -3.143 15.429 277 HB3 PRO 34 1HB PRO 34 2.551 -4.478 15.063 278 HG2 PRO 34 2HG PRO 34 3.188 -1.686 15.899 279 HG3 PRO 34 1HG PRO 34 3.972 -3.204 16.369 280 HD2 PRO 34 2HD PRO 34 4.970 -1.476 14.483 281 HD3 PRO 34 1HD PRO 34 5.323 -3.214 14.519 282 H GLU 35 H GLU 35 2.146 -1.709 11.411 283 HA GLU 35 HA GLU 35 -0.339 -0.406 11.973 284 HB2 GLU 35 2HB GLU 35 2.271 1.109 12.079 285 HB3 GLU 35 1HB GLU 35 0.732 1.903 11.765 286 HG2 GLU 35 2HG GLU 35 1.439 0.350 14.244 287 HG3 GLU 35 1HG GLU 35 1.407 2.103 14.094 288 H ARG 36 H ARG 36 2.576 -0.684 10.006 289 HA ARG 36 HA ARG 36 1.117 -0.774 7.593 290 HE ARG 36 HE ARG 36 4.118 4.779 7.527 291 HB2 ARG 36 2HB ARG 36 2.279 1.290 6.617 292 HB3 ARG 36 1HB ARG 36 0.914 1.579 7.681 293 HG2 ARG 36 2HG ARG 36 2.582 1.878 9.548 294 HG3 ARG 36 1HG ARG 36 3.837 1.861 8.309 295 HD2 ARG 36 2HD ARG 36 2.147 3.683 7.264 296 HD3 ARG 36 1HD ARG 36 1.862 3.938 8.984 297 HH11 ARG 36 1HH1 ARG 36 3.247 3.394 10.609 298 HH12 ARG 36 2HH1 ARG 36 4.619 4.055 11.434 299 HH21 ARG 36 1HH2 ARG 36 5.920 5.650 8.610 300 HH22 ARG 36 2HH2 ARG 36 6.135 5.336 10.300 301 H GLY 37 H GLY 37 2.578 -0.687 5.679 302 HA2 GLY 37 2HA GLY 37 5.176 -1.911 6.370 303 HA3 GLY 37 1HA GLY 37 4.227 -2.346 4.949 304 H PHE 38 H PHE 38 7.013 -1.207 5.165 305 HA PHE 38 HA PHE 38 6.542 1.156 3.465 306 HD1 PHE 38 2HD PHE 38 7.280 3.534 3.536 307 HD2 PHE 38 1HD PHE 38 10.781 1.540 4.941 308 HE1 PHE 38 2HE PHE 38 8.690 5.294 2.557 309 HE2 PHE 38 1HE PHE 38 12.182 3.297 3.954 310 HZ PHE 38 HZ PHE 38 11.138 5.177 2.756 311 HB2 PHE 38 2HB PHE 38 7.403 1.842 5.635 312 HB3 PHE 38 1HB PHE 38 8.725 0.693 5.509 313 H ILE 39 H ILE 39 7.260 0.889 1.470 314 HA ILE 39 HA ILE 39 9.607 -0.843 1.024 315 HB ILE 39 HB ILE 39 7.355 -0.927 -0.950 316 HG12 ILE 39 2HG1 ILE 39 7.501 -2.438 1.658 317 HG13 ILE 39 1HG1 ILE 39 6.116 -1.643 0.919 318 HG21 ILE 39 1HG2 ILE 39 8.833 -2.205 -2.000 319 HG22 ILE 39 2HG2 ILE 39 8.675 -3.397 -0.712 320 HG23 ILE 39 3HG2 ILE 39 9.925 -2.161 -0.618 321 HD11 ILE 39 3HD1 ILE 39 5.960 -4.093 0.905 322 HD12 ILE 39 1HD1 ILE 39 7.398 -4.162 -0.112 323 HD13 ILE 39 2HD1 ILE 39 5.926 -3.399 -0.715 324 H ASP 40 H ASP 40 11.118 0.482 0.112 325 HA ASP 40 HA ASP 40 10.160 2.545 -1.750 326 HB2 ASP 40 2HB ASP 40 11.486 3.929 -0.589 327 HB3 ASP 40 1HB ASP 40 12.231 2.605 0.293 328 H PHE 41 H PHE 41 10.452 2.269 -3.806 329 HA PHE 41 HA PHE 41 12.026 0.044 -4.780 330 HD1 PHE 41 1HD PHE 41 10.139 -1.524 -6.494 331 HD2 PHE 41 2HD PHE 41 11.935 1.871 -8.326 332 HE1 PHE 41 1HE PHE 41 10.682 -2.883 -8.472 333 HE2 PHE 41 2HE PHE 41 12.485 0.517 -10.307 334 HZ PHE 41 HZ PHE 41 11.856 -1.863 -10.381 335 HB2 PHE 41 2HB PHE 41 9.738 0.736 -5.666 336 HB3 PHE 41 1HB PHE 41 10.534 2.116 -6.404 337 H GLY 42 H GLY 42 12.436 3.364 -4.240 338 HA2 GLY 42 2HA GLY 42 15.011 3.749 -4.524 339 HA3 GLY 42 1HA GLY 42 14.564 3.661 -6.223 340 H ASP 43 H ASP 43 13.215 5.298 -7.106 341 HA ASP 43 HA ASP 43 13.426 7.836 -5.660 342 HB2 ASP 43 2HB ASP 43 13.983 7.182 -8.278 343 HB3 ASP 43 1HB ASP 43 12.395 7.929 -8.407 344 H SER 44 H SER 44 11.620 6.594 -4.382 345 HA SER 44 HA SER 44 9.314 7.995 -4.330 346 HG SER 44 HG SER 44 7.022 7.280 -4.993 347 HB2 SER 44 2HB SER 44 8.723 7.284 -6.584 348 HB3 SER 44 1HB SER 44 8.977 5.607 -6.155 349 H ASN 45 H ASN 45 7.363 6.024 -3.683 350 HA ASN 45 HA ASN 45 8.496 3.963 -2.098 351 HB2 ASN 45 2HB ASN 45 8.223 6.578 -0.872 352 HB3 ASN 45 1HB ASN 45 7.242 5.380 -0.028 353 HD21 ASN 45 1HD2 ASN 45 8.518 3.195 0.166 354 HD22 ASN 45 2HD2 ASN 45 10.101 3.364 0.833 355 H CYS 46 H CYS 46 6.793 2.933 -0.673 356 HA CYS 46 HA CYS 46 4.054 3.546 -1.399 357 HG CYS 46 HG CYS 46 2.528 0.986 -2.984 358 HB2 CYS 46 2HB CYS 46 4.702 2.059 -3.199 359 HB3 CYS 46 1HB CYS 46 5.350 0.891 -2.053 360 H GLU 47 H GLU 47 3.399 3.841 0.651 361 HA GLU 47 HA GLU 47 4.053 1.795 2.648 362 HB2 GLU 47 2HB GLU 47 4.398 4.448 2.831 363 HB3 GLU 47 1HB GLU 47 2.742 4.363 3.402 364 HG2 GLU 47 2HG GLU 47 3.320 3.314 5.345 365 HG3 GLU 47 1HG GLU 47 4.745 2.546 4.647 366 H LEU 48 H LEU 48 2.352 0.985 4.036 367 HA LEU 48 HA LEU 48 -0.359 1.555 3.117 368 HG LEU 48 HG LEU 48 1.510 -1.712 3.903 369 HB2 LEU 48 2HB LEU 48 -0.785 -1.003 3.310 370 HB3 LEU 48 1HB LEU 48 -0.182 -0.312 1.818 371 HD11 LEU 48 1HD1 LEU 48 1.216 -2.860 1.215 372 HD12 LEU 48 2HD1 LEU 48 -0.236 -2.915 2.212 373 HD13 LEU 48 3HD1 LEU 48 1.260 -3.646 2.792 374 HD21 LEU 48 3HD2 LEU 48 2.141 -0.115 1.519 375 HD22 LEU 48 1HD2 LEU 48 2.934 -1.689 1.577 376 HD23 LEU 48 2HD2 LEU 48 3.149 -0.543 2.899 377 H LEU 49 H LEU 49 -1.660 1.919 4.724 378 HA LEU 49 HA LEU 49 -0.865 1.073 7.421 379 HG LEU 49 HG LEU 49 -2.212 1.872 9.213 380 HB2 LEU 49 2HB LEU 49 -1.744 3.438 6.791 381 HB3 LEU 49 1HB LEU 49 -3.319 2.668 6.794 382 HD11 LEU 49 1HD1 LEU 49 -1.872 4.560 9.833 383 HD12 LEU 49 2HD1 LEU 49 -0.946 4.321 8.351 384 HD13 LEU 49 3HD1 LEU 49 -0.624 3.317 9.764 385 HD21 LEU 49 3HD2 LEU 49 -3.838 3.525 10.159 386 HD22 LEU 49 1HD2 LEU 49 -4.515 2.438 8.946 387 HD23 LEU 49 2HD2 LEU 49 -4.118 4.101 8.515 388 H ALA 50 H ALA 50 -1.827 -0.578 8.474 389 HA ALA 50 HA ALA 50 -4.386 -1.541 7.443 390 HB1 ALA 50 3HB ALA 50 -2.769 -2.785 6.218 391 HB2 ALA 50 1HB ALA 50 -3.545 -3.841 7.383 392 HB3 ALA 50 2HB ALA 50 -1.922 -3.235 7.699 393 H HIS 51 H HIS 51 -5.718 -1.547 9.065 394 HA HIS 51 HA HIS 51 -4.796 -2.478 11.670 395 HD1 HIS 51 1HD HIS 51 -7.746 0.051 13.842 396 HD2 HIS 51 2HD HIS 51 -3.843 -1.297 13.356 397 HE1 HIS 51 1HE HIS 51 -6.677 0.251 16.108 398 HE2 HIS 51 2HE HIS 51 -4.293 -0.486 15.769 399 HB2 HIS 51 2HB HIS 51 -5.958 -0.050 11.098 400 HB3 HIS 51 1HB HIS 51 -7.352 -1.004 11.582 401 HA PRO 52 HA PRO 52 -7.384 -6.017 11.808 402 HB2 PRO 52 2HB PRO 52 -9.088 -4.617 13.828 403 HB3 PRO 52 1HB PRO 52 -8.408 -6.250 13.861 404 HG2 PRO 52 2HG PRO 52 -7.265 -4.315 15.256 405 HG3 PRO 52 1HG PRO 52 -6.269 -5.490 14.378 406 HD2 PRO 52 2HD PRO 52 -6.883 -2.651 13.705 407 HD3 PRO 52 1HD PRO 52 -5.400 -3.577 13.420 408 H ASP 53 H ASP 53 -9.001 -2.944 11.233 409 HA ASP 53 HA ASP 53 -10.970 -4.436 9.675 410 HB2 ASP 53 2HB ASP 53 -11.784 -3.710 12.050 411 HB3 ASP 53 1HB ASP 53 -11.944 -2.122 11.307 412 H HIS 54 H HIS 54 -8.743 -1.965 9.607 413 HA HIS 54 HA HIS 54 -10.021 -1.016 7.180 414 HD1 HIS 54 1HD HIS 54 -10.212 0.490 11.239 415 HD2 HIS 54 2HD HIS 54 -7.158 2.080 8.911 416 HE1 HIS 54 1HE HIS 54 -8.573 1.484 12.867 417 HE2 HIS 54 2HE HIS 54 -6.770 2.504 11.433 418 HB2 HIS 54 2HB HIS 54 -9.593 1.365 7.685 419 HB3 HIS 54 1HB HIS 54 -10.783 0.634 8.743 420 H VAL 55 H VAL 55 -8.574 0.133 5.690 421 HA VAL 55 HA VAL 55 -5.740 -0.197 6.288 422 HB VAL 55 HB VAL 55 -6.858 -2.164 4.944 423 HG11 VAL 55 1HG1 VAL 55 -6.044 -0.530 2.588 424 HG12 VAL 55 2HG1 VAL 55 -7.683 -0.394 3.223 425 HG13 VAL 55 3HG1 VAL 55 -7.081 -1.953 2.664 426 HG21 VAL 55 3HG2 VAL 55 -4.737 -2.668 3.943 427 HG22 VAL 55 1HG2 VAL 55 -4.467 -1.910 5.511 428 HG23 VAL 55 2HG2 VAL 55 -4.250 -0.975 4.031 429 H LEU 56 H LEU 56 -4.465 1.331 5.429 430 HA LEU 56 HA LEU 56 -5.705 3.306 3.629 431 HG LEU 56 HG LEU 56 -6.436 4.920 5.575 432 HB2 LEU 56 2HB LEU 56 -4.409 3.666 6.183 433 HB3 LEU 56 1HB LEU 56 -3.501 4.507 4.950 434 HD11 LEU 56 1HD1 LEU 56 -4.204 6.863 6.061 435 HD12 LEU 56 2HD1 LEU 56 -4.693 5.679 7.275 436 HD13 LEU 56 3HD1 LEU 56 -5.849 6.879 6.696 437 HD21 LEU 56 3HD2 LEU 56 -4.627 5.997 3.463 438 HD22 LEU 56 1HD2 LEU 56 -5.818 7.077 4.184 439 HD23 LEU 56 2HD2 LEU 56 -6.344 5.597 3.385 440 H MET 57 H MET 57 -4.452 4.107 1.937 441 HA MET 57 HA MET 57 -1.885 2.739 1.507 442 HB2 MET 57 2HB MET 57 -3.801 3.313 -0.731 443 HB3 MET 57 1HB MET 57 -2.420 2.221 -0.719 444 HG2 MET 57 2HG MET 57 -3.585 0.767 0.880 445 HG3 MET 57 1HG MET 57 -4.976 1.852 0.825 446 HE1 MET 57 3HE MET 57 -6.914 1.628 -0.972 447 HE2 MET 57 1HE MET 57 -6.729 0.305 0.179 448 HE3 MET 57 2HE MET 57 -7.063 -0.042 -1.518 449 H ILE 58 H ILE 58 -0.293 4.224 1.490 450 HA ILE 58 HA ILE 58 -0.819 6.774 0.123 451 HB ILE 58 HB ILE 58 0.969 6.392 2.530 452 HG12 ILE 58 2HG1 ILE 58 -1.884 6.696 2.399 453 HG13 ILE 58 1HG1 ILE 58 -0.863 6.536 3.815 454 HG21 ILE 58 1HG2 ILE 58 0.066 8.888 1.109 455 HG22 ILE 58 2HG2 ILE 58 1.678 8.170 1.032 456 HG23 ILE 58 3HG2 ILE 58 1.077 8.828 2.553 457 HD11 ILE 58 3HD1 ILE 58 -0.724 8.821 4.134 458 HD12 ILE 58 1HD1 ILE 58 -2.385 8.596 3.590 459 HD13 ILE 58 2HD1 ILE 58 -1.161 9.188 2.465 460 H LEU 59 H LEU 59 0.741 7.489 -1.272 461 HA LEU 59 HA LEU 59 3.186 5.857 -1.481 462 HG LEU 59 HG LEU 59 1.433 6.932 -5.228 463 HB2 LEU 59 2HB LEU 59 3.072 5.798 -3.801 464 HB3 LEU 59 1HB LEU 59 1.424 5.502 -3.297 465 HD11 LEU 59 1HD1 LEU 59 0.123 8.778 -4.398 466 HD12 LEU 59 2HD1 LEU 59 0.757 8.525 -2.774 467 HD13 LEU 59 3HD1 LEU 59 -0.275 7.302 -3.517 468 HD21 LEU 59 3HD2 LEU 59 2.787 8.666 -5.600 469 HD22 LEU 59 1HD2 LEU 59 3.767 7.971 -4.314 470 HD23 LEU 59 2HD2 LEU 59 2.635 9.274 -3.959 471 H ASN 60 H ASN 60 5.093 6.902 -1.980 472 HA ASN 60 HA ASN 60 4.963 9.848 -2.060 473 HB2 ASN 60 2HB ASN 60 7.303 8.303 -0.945 474 HB3 ASN 60 1HB ASN 60 6.935 10.014 -0.750 475 HD21 ASN 60 1HD2 ASN 60 7.523 8.671 1.457 476 HD22 ASN 60 2HD2 ASN 60 6.115 8.377 2.415 477 H SER 61 H SER 61 5.217 10.251 -4.184 478 HA SER 61 HA SER 61 7.668 9.184 -5.463 479 HG SER 61 HG SER 61 5.397 6.881 -6.119 480 HB2 SER 61 2HB SER 61 5.242 9.327 -7.166 481 HB3 SER 61 1HB SER 61 6.586 8.190 -7.217 482 HA PRO 62 HA PRO 62 7.963 13.395 -6.928 483 HB2 PRO 62 2HB PRO 62 10.011 13.123 -8.606 484 HB3 PRO 62 1HB PRO 62 10.204 12.960 -6.859 485 HG2 PRO 62 2HG PRO 62 9.954 10.815 -8.927 486 HG3 PRO 62 1HG PRO 62 11.097 10.933 -7.575 487 HD2 PRO 62 2HD PRO 62 8.824 9.442 -7.486 488 HD3 PRO 62 1HD PRO 62 9.560 10.169 -6.050 489 H ASP 63 H ASP 63 6.872 10.793 -8.823 490 HA ASP 63 HA ASP 63 6.001 12.703 -10.863 491 HB2 ASP 63 2HB ASP 63 6.471 11.002 -12.645 492 HB3 ASP 63 1HB ASP 63 7.918 11.659 -11.885 493 H GLU 64 H GLU 64 3.952 12.183 -11.802 494 HA GLU 64 HA GLU 64 2.239 10.669 -10.107 495 HB2 GLU 64 2HB GLU 64 1.649 12.522 -11.946 496 HB3 GLU 64 1HB GLU 64 1.383 11.091 -12.940 497 HG2 GLU 64 2HG GLU 64 0.105 10.393 -10.680 498 HG3 GLU 64 1HG GLU 64 -0.136 12.135 -10.659 499 H ASP 65 H ASP 65 3.776 9.793 -13.246 500 HA ASP 65 HA ASP 65 2.594 7.347 -13.700 501 HB2 ASP 65 2HB ASP 65 4.384 8.459 -15.101 502 HB3 ASP 65 1HB ASP 65 5.562 7.881 -13.923 503 H SER 66 H SER 66 5.484 8.020 -11.753 504 HA SER 66 HA SER 66 5.778 5.461 -10.621 505 HG SER 66 HG SER 66 8.220 6.622 -8.528 506 HB2 SER 66 2HB SER 66 7.533 7.211 -10.500 507 HB3 SER 66 1HB SER 66 6.505 8.139 -9.405 508 H LEU 67 H LEU 67 4.396 8.394 -9.321 509 HA LEU 67 HA LEU 67 3.322 7.711 -6.955 510 HG LEU 67 HG LEU 67 1.137 9.450 -6.413 511 HB2 LEU 67 2HB LEU 67 3.179 9.934 -7.708 512 HB3 LEU 67 1HB LEU 67 2.335 9.486 -9.159 513 HD11 LEU 67 1HD1 LEU 67 1.071 11.652 -6.638 514 HD12 LEU 67 2HD1 LEU 67 -0.143 11.369 -7.886 515 HD13 LEU 67 3HD1 LEU 67 1.549 11.571 -8.332 516 HD21 LEU 67 3HD2 LEU 67 -0.989 9.524 -7.930 517 HD22 LEU 67 1HD2 LEU 67 -0.213 7.983 -7.569 518 HD23 LEU 67 2HD2 LEU 67 0.084 8.781 -9.115 519 H ALA 68 H ALA 68 1.418 7.436 -9.978 520 HA ALA 68 HA ALA 68 -0.678 6.010 -8.724 521 HB1 ALA 68 3HB ALA 68 -1.088 7.166 -10.796 522 HB2 ALA 68 1HB ALA 68 -1.374 5.443 -11.051 523 HB3 ALA 68 2HB ALA 68 0.114 6.186 -11.636 524 H HIS 69 H HIS 69 2.304 5.025 -10.298 525 HA HIS 69 HA HIS 69 1.819 2.303 -10.627 526 HD1 HIS 69 1HD HIS 69 6.079 2.308 -12.037 527 HD2 HIS 69 2HD HIS 69 3.041 0.149 -10.200 528 HE1 HIS 69 1HE HIS 69 6.566 -0.106 -12.547 529 HE2 HIS 69 2HE HIS 69 4.766 -1.398 -11.348 530 HB2 HIS 69 2HB HIS 69 3.871 3.692 -11.339 531 HB3 HIS 69 1HB HIS 69 4.481 3.380 -9.718 532 H MET 70 H MET 70 2.822 4.147 -7.809 533 HA MET 70 HA MET 70 3.158 1.826 -6.139 534 HB2 MET 70 2HB MET 70 2.769 4.516 -4.940 535 HB3 MET 70 1HB MET 70 3.924 3.268 -4.511 536 HG2 MET 70 2HG MET 70 4.083 5.260 -6.743 537 HG3 MET 70 1HG MET 70 5.167 5.060 -5.372 538 HE1 MET 70 3HE MET 70 6.287 2.053 -5.278 539 HE2 MET 70 1HE MET 70 6.981 3.670 -5.150 540 HE3 MET 70 2HE MET 70 7.645 2.514 -6.305 541 H GLN 71 H GLN 71 0.792 4.547 -6.040 542 HA GLN 71 HA GLN 71 -0.830 3.469 -4.084 543 HB2 GLN 71 2HB GLN 71 -2.728 4.780 -5.348 544 HB3 GLN 71 1HB GLN 71 -1.478 5.621 -4.455 545 HG2 GLN 71 2HG GLN 71 -0.789 6.666 -6.283 546 HG3 GLN 71 1HG GLN 71 -0.738 5.170 -7.214 547 HE21 GLN 71 1HE2 GLN 71 -2.981 4.325 -7.796 548 HE22 GLN 71 2HE2 GLN 71 -4.101 5.500 -8.387 549 H ASN 72 H ASN 72 -0.669 2.617 -7.458 550 HA ASN 72 HA ASN 72 -3.150 1.149 -7.405 551 HB2 ASN 72 2HB ASN 72 -1.877 2.240 -9.448 552 HB3 ASN 72 1HB ASN 72 -1.081 0.670 -9.506 553 HD21 ASN 72 1HD2 ASN 72 -2.813 1.821 -11.471 554 HD22 ASN 72 2HD2 ASN 72 -4.172 0.766 -11.630 555 H VAL 73 H VAL 73 0.305 0.358 -7.295 556 HA VAL 73 HA VAL 73 0.273 -2.371 -7.455 557 HB VAL 73 HB VAL 73 1.970 -0.503 -5.826 558 HG11 VAL 73 1HG1 VAL 73 3.470 -2.425 -5.327 559 HG12 VAL 73 2HG1 VAL 73 2.189 -3.509 -5.869 560 HG13 VAL 73 3HG1 VAL 73 1.933 -2.476 -4.464 561 HG21 VAL 73 3HG2 VAL 73 3.439 -0.638 -7.532 562 HG22 VAL 73 1HG2 VAL 73 2.005 -1.108 -8.446 563 HG23 VAL 73 2HG2 VAL 73 3.103 -2.343 -7.830 564 H VAL 74 H VAL 74 -0.454 -0.392 -4.605 565 HA VAL 74 HA VAL 74 -0.838 -2.609 -2.856 566 HB VAL 74 HB VAL 74 -1.858 0.222 -2.608 567 HG11 VAL 74 1HG1 VAL 74 -1.589 -1.803 -0.396 568 HG12 VAL 74 2HG1 VAL 74 -3.102 -1.501 -1.250 569 HG13 VAL 74 3HG1 VAL 74 -2.340 -0.210 -0.324 570 HG21 VAL 74 3HG2 VAL 74 0.744 -0.981 -2.186 571 HG22 VAL 74 1HG2 VAL 74 0.131 -0.217 -0.720 572 HG23 VAL 74 2HG2 VAL 74 0.280 0.721 -2.203 573 H ALA 75 H ALA 75 -3.106 -0.536 -4.695 574 HA ALA 75 HA ALA 75 -5.515 -1.551 -3.844 575 HB1 ALA 75 3HB ALA 75 -6.393 -0.993 -6.094 576 HB2 ALA 75 1HB ALA 75 -4.738 -0.737 -6.646 577 HB3 ALA 75 2HB ALA 75 -5.423 0.300 -5.393 578 H ASP 76 H ASP 76 -3.076 -3.022 -5.793 579 HA ASP 76 HA ASP 76 -4.714 -5.161 -6.791 580 HB2 ASP 76 2HB ASP 76 -2.337 -4.136 -7.578 581 HB3 ASP 76 1HB ASP 76 -1.781 -5.536 -6.665 582 H HIS 77 H HIS 77 -2.402 -4.743 -4.144 583 HA HIS 77 HA HIS 77 -2.299 -7.422 -3.316 584 HD1 HIS 77 1HD HIS 77 -0.706 -6.242 -4.654 585 HD2 HIS 77 2HD HIS 77 0.945 -4.495 -1.265 586 HE1 HIS 77 1HE HIS 77 1.558 -5.408 -5.362 587 HE2 HIS 77 2HE HIS 77 2.573 -4.436 -3.272 588 HB2 HIS 77 2HB HIS 77 -1.986 -4.999 -1.535 589 HB3 HIS 77 1HB HIS 77 -1.344 -6.608 -1.257 590 H LEU 78 H LEU 78 -4.505 -4.797 -2.340 591 HA LEU 78 HA LEU 78 -5.819 -6.217 -0.306 592 HG LEU 78 HG LEU 78 -5.126 -3.038 -0.620 593 HB2 LEU 78 2HB LEU 78 -6.738 -3.960 -2.087 594 HB3 LEU 78 1HB LEU 78 -7.702 -4.590 -0.769 595 HD11 LEU 78 1HD1 LEU 78 -7.775 -2.673 0.763 596 HD12 LEU 78 2HD1 LEU 78 -7.293 -1.848 -0.719 597 HD13 LEU 78 3HD1 LEU 78 -6.401 -1.568 0.775 598 HD21 LEU 78 3HD2 LEU 78 -4.730 -4.817 0.905 599 HD22 LEU 78 1HD2 LEU 78 -6.387 -4.760 1.505 600 HD23 LEU 78 2HD2 LEU 78 -5.273 -3.442 1.864 601 H GLN 79 H GLN 79 -6.026 -6.357 -3.756 602 HA GLN 79 HA GLN 79 -8.594 -7.598 -3.906 603 HB2 GLN 79 2HB GLN 79 -6.394 -7.775 -5.961 604 HB3 GLN 79 1HB GLN 79 -8.124 -7.942 -6.223 605 HG2 GLN 79 2HG GLN 79 -7.739 -5.415 -5.064 606 HG3 GLN 79 1HG GLN 79 -6.495 -5.596 -6.297 607 HE21 GLN 79 1HE2 GLN 79 -8.078 -3.691 -6.904 608 HE22 GLN 79 2HE2 GLN 79 -9.281 -4.126 -8.065 609 H ARG 80 H ARG 80 -5.287 -8.864 -4.343 610 HA ARG 80 HA ARG 80 -5.908 -11.531 -4.647 611 HE ARG 80 HE ARG 80 -1.578 -13.851 -2.469 612 HB2 ARG 80 2HB ARG 80 -3.699 -11.000 -5.089 613 HB3 ARG 80 1HB ARG 80 -3.524 -10.046 -3.624 614 HG2 ARG 80 2HG ARG 80 -3.050 -11.858 -2.331 615 HG3 ARG 80 1HG ARG 80 -3.948 -12.975 -3.361 616 HD2 ARG 80 2HD ARG 80 -2.207 -12.796 -5.069 617 HD3 ARG 80 1HD ARG 80 -1.312 -11.677 -4.043 618 HH11 ARG 80 1HH1 ARG 80 -0.441 -13.423 -5.741 619 HH12 ARG 80 2HH1 ARG 80 0.656 -14.760 -5.667 620 HH21 ARG 80 1HH2 ARG 80 -0.135 -15.610 -2.371 621 HH22 ARG 80 2HH2 ARG 80 0.831 -16.002 -3.754 622 H MET 81 H MET 81 -5.644 -9.634 -1.688 623 HA MET 81 HA MET 81 -5.891 -11.959 -0.002 624 HB2 MET 81 2HB MET 81 -5.925 -10.380 1.859 625 HB3 MET 81 1HB MET 81 -4.595 -10.062 0.765 626 HG2 MET 81 2HG MET 81 -5.440 -7.969 1.388 627 HG3 MET 81 1HG MET 81 -6.001 -8.244 -0.257 628 HE1 MET 81 3HE MET 81 -7.894 -7.017 3.330 629 HE2 MET 81 1HE MET 81 -8.181 -6.009 1.911 630 HE3 MET 81 2HE MET 81 -6.542 -6.520 2.313 631 H ALA 82 H ALA 82 -8.076 -10.003 -1.705 632 HA ALA 82 HA ALA 82 -10.309 -11.197 -0.201 633 HB1 ALA 82 3HB ALA 82 -10.504 -9.095 0.691 634 HB2 ALA 82 1HB ALA 82 -11.493 -8.914 -0.758 635 HB3 ALA 82 2HB ALA 82 -9.838 -8.304 -0.739 636 H ASN 83 H ASN 83 -10.888 -12.642 -1.752 637 HA ASN 83 HA ASN 83 -11.168 -11.774 -4.518 638 HB2 ASN 83 2HB ASN 83 -10.127 -13.960 -4.028 639 HB3 ASN 83 1HB ASN 83 -11.628 -14.497 -3.279 640 HD21 ASN 83 1HD2 ASN 83 -13.181 -15.337 -4.520 641 HD22 ASN 83 2HD2 ASN 83 -13.134 -15.418 -6.244 642 H SER 84 H SER 84 -12.995 -10.864 -5.161 643 HA SER 84 HA SER 84 -15.508 -12.029 -5.007 644 HG SER 84 HG SER 84 -17.479 -10.692 -2.733 645 HB2 SER 84 2HB SER 84 -15.605 -11.634 -2.658 646 HB3 SER 84 1HB SER 84 -14.984 -9.993 -2.837 647 H GLU 85 H GLU 85 -13.789 -8.943 -4.973 648 HA GLU 85 HA GLU 85 -15.062 -8.183 -7.461 649 HB2 GLU 85 2HB GLU 85 -15.947 -6.083 -6.670 650 HB3 GLU 85 1HB GLU 85 -16.630 -7.380 -5.699 651 HG2 GLU 85 2HG GLU 85 -14.856 -6.881 -3.985 652 HG3 GLU 85 1HG GLU 85 -14.464 -5.443 -4.926 653 H SER 86 H SER 86 -14.125 -6.079 -8.287 654 HA SER 86 HA SER 86 -11.282 -6.172 -8.002 655 HG SER 86 HG SER 86 -10.903 -5.625 -10.666 656 HB2 SER 86 2HB SER 86 -13.204 -4.513 -9.599 657 HB3 SER 86 1HB SER 86 -11.524 -3.994 -9.458 658 H LEU 87 H LEU 87 -11.457 -5.832 -5.638 659 HA LEU 87 HA LEU 87 -11.748 -4.455 -3.745 660 HG LEU 87 HG LEU 87 -8.246 -4.570 -3.083 661 HB2 LEU 87 2HB LEU 87 -9.232 -4.272 -5.115 662 HB3 LEU 87 1HB LEU 87 -9.588 -2.735 -4.354 663 HD11 LEU 87 1HD1 LEU 87 -8.604 -2.572 -1.982 664 HD12 LEU 87 2HD1 LEU 87 -9.443 -3.718 -0.938 665 HD13 LEU 87 3HD1 LEU 87 -10.360 -2.719 -2.066 666 HD21 LEU 87 3HD2 LEU 87 -11.059 -5.372 -2.352 667 HD22 LEU 87 1HD2 LEU 87 -9.565 -5.987 -1.653 668 HD23 LEU 87 2HD2 LEU 87 -9.957 -6.339 -3.332 669 H GLU 88 H GLU 88 -13.351 -3.040 -3.437 670 HA GLU 88 HA GLU 88 -13.692 -0.732 -5.105 671 HB2 GLU 88 2HB GLU 88 -15.574 -1.823 -3.871 672 HB3 GLU 88 1HB GLU 88 -14.845 -1.297 -2.359 673 HG2 GLU 88 2HG GLU 88 -15.618 0.790 -2.567 674 HG3 GLU 88 1HG GLU 88 -15.275 0.853 -4.296 675 H ILE 89 H ILE 89 -11.886 0.552 -5.073 676 HA ILE 89 HA ILE 89 -11.219 1.727 -2.477 677 HB ILE 89 HB ILE 89 -8.902 1.546 -2.745 678 HG12 ILE 89 2HG1 ILE 89 -9.014 2.193 -5.265 679 HG13 ILE 89 1HG1 ILE 89 -7.694 1.182 -4.708 680 HG21 ILE 89 1HG2 ILE 89 -8.483 -0.855 -3.316 681 HG22 ILE 89 2HG2 ILE 89 -10.186 -0.962 -3.762 682 HG23 ILE 89 3HG2 ILE 89 -9.733 -0.563 -2.107 683 HD11 ILE 89 3HD1 ILE 89 -8.753 -0.782 -5.575 684 HD12 ILE 89 1HD1 ILE 89 -8.666 0.441 -6.843 685 HD13 ILE 89 2HD1 ILE 89 -10.193 0.140 -6.013 686 H ALA 90 H ALA 90 -11.189 3.953 -2.490 687 HA ALA 90 HA ALA 90 -11.357 5.217 -5.135 688 HB1 ALA 90 3HB ALA 90 -11.827 6.622 -2.514 689 HB2 ALA 90 1HB ALA 90 -13.097 5.692 -3.318 690 HB3 ALA 90 2HB ALA 90 -12.371 7.082 -4.125 691 H TRP 91 H TRP 91 -9.474 5.784 -5.926 692 HA TRP 91 HA TRP 91 -7.293 6.545 -4.153 693 HD1 TRP 91 HD TRP 91 -8.377 3.978 -7.575 694 HE1 TRP 91 1HE TRP 91 -9.194 4.664 -9.918 695 HE3 TRP 91 3HE TRP 91 -6.493 8.728 -7.735 696 HZ2 TRP 91 2HZ TRP 91 -9.057 6.920 -11.609 697 HZ3 TRP 91 3HZ TRP 91 -6.880 10.084 -9.751 698 HH2 TRP 91 HH TRP 91 -8.135 9.197 -11.648 699 HB2 TRP 91 2HB TRP 91 -5.955 6.567 -6.287 700 HB3 TRP 91 1HB TRP 91 -6.670 5.010 -5.880 701 H GLN 92 H GLN 92 -6.537 8.557 -3.913 702 HA GLN 92 HA GLN 92 -8.041 10.717 -5.150 703 HB2 GLN 92 2HB GLN 92 -5.948 10.682 -2.973 704 HB3 GLN 92 1HB GLN 92 -6.677 12.157 -3.592 705 HG2 GLN 92 2HG GLN 92 -8.708 11.724 -2.628 706 HG3 GLN 92 1HG GLN 92 -8.451 9.980 -2.612 707 HE21 GLN 92 1HE2 GLN 92 -6.315 12.525 -1.436 708 HE22 GLN 92 2HE2 GLN 92 -6.330 12.025 0.218 709 HA PRO 93 HA PRO 93 -5.330 11.945 -8.380 710 HB2 PRO 93 2HB PRO 93 -5.211 14.575 -6.987 711 HB3 PRO 93 1HB PRO 93 -5.539 14.223 -8.688 712 HG2 PRO 93 2HG PRO 93 -7.524 14.858 -7.026 713 HG3 PRO 93 1HG PRO 93 -7.741 13.621 -8.277 714 HD2 PRO 93 2HD PRO 93 -7.422 13.309 -5.340 715 HD3 PRO 93 1HD PRO 93 -8.305 12.294 -6.496 716 H ALA 94 H ALA 94 -4.437 13.026 -5.124 717 HA ALA 94 HA ALA 94 -2.425 12.506 -4.037 718 HB1 ALA 94 3HB ALA 94 -0.565 11.640 -5.071 719 HB2 ALA 94 1HB ALA 94 -0.849 12.542 -6.557 720 HB3 ALA 94 2HB ALA 94 -1.823 11.120 -6.194 721 H GLU 95 H GLU 95 -3.675 15.012 -4.953 722 HA GLU 95 HA GLU 95 -1.729 16.819 -4.043 723 HB2 GLU 95 2HB GLU 95 -0.853 16.289 -6.376 724 HB3 GLU 95 1HB GLU 95 -2.270 17.125 -6.994 725 HG2 GLU 95 2HG GLU 95 -1.267 18.937 -5.215 726 HG3 GLU 95 1HG GLU 95 0.196 18.189 -5.855 727 H SER 96 H SER 96 -3.815 16.994 -2.859 728 HA SER 96 HA SER 96 -5.284 19.274 -3.852 729 HG SER 96 HG SER 96 -7.651 19.283 -3.801 730 HB2 SER 96 2HB SER 96 -6.550 17.443 -4.868 731 HB3 SER 96 1HB SER 96 -6.712 16.661 -3.296 Start of MODEL 8 1 HA MET 1 HA MET 1 6.948 13.350 -5.140 2 HB2 MET 1 2HB MET 1 7.599 13.651 -2.825 3 HB3 MET 1 1HB MET 1 8.902 14.159 -3.894 4 HG2 MET 1 2HG MET 1 7.105 16.330 -3.152 5 HG3 MET 1 1HG MET 1 7.905 15.579 -1.775 6 HE1 MET 1 3HE MET 1 11.403 15.944 -2.049 7 HE2 MET 1 1HE MET 1 9.930 15.591 -1.144 8 HE3 MET 1 2HE MET 1 10.567 17.234 -1.184 9 H PHE 2 H PHE 2 4.844 13.391 -5.652 10 HA PHE 2 HA PHE 2 3.048 15.183 -4.175 11 HD1 PHE 2 2HD PHE 2 3.554 16.634 -6.587 12 HD2 PHE 2 1HD PHE 2 2.964 12.702 -8.110 13 HE1 PHE 2 2HE PHE 2 4.882 17.209 -8.577 14 HE2 PHE 2 1HE PHE 2 4.284 13.274 -10.102 15 HZ PHE 2 HZ PHE 2 5.248 15.528 -10.339 16 HB2 PHE 2 2HB PHE 2 1.905 13.317 -6.169 17 HB3 PHE 2 1HB PHE 2 1.572 15.024 -5.913 18 H ARG 3 H ARG 3 0.885 14.018 -3.471 19 HA ARG 3 HA ARG 3 1.412 11.261 -2.701 20 HE ARG 3 HE ARG 3 4.606 10.661 1.381 21 HB2 ARG 3 2HB ARG 3 1.905 13.341 -0.864 22 HB3 ARG 3 1HB ARG 3 0.403 12.580 -0.349 23 HG2 ARG 3 2HG ARG 3 1.704 11.102 0.675 24 HG3 ARG 3 1HG ARG 3 1.992 10.432 -0.917 25 HD2 ARG 3 2HD ARG 3 4.139 11.005 -0.829 26 HD3 ARG 3 1HD ARG 3 3.728 12.676 -0.446 27 HH11 ARG 3 1HH1 ARG 3 2.685 13.559 1.088 28 HH12 ARG 3 2HH1 ARG 3 2.850 13.987 2.758 29 HH21 ARG 3 1HH2 ARG 3 4.823 11.222 3.577 30 HH22 ARG 3 2HH2 ARG 3 4.064 12.661 4.171 31 H SER 4 H SER 4 -0.313 10.026 -2.809 32 HA SER 4 HA SER 4 -3.003 11.221 -2.742 33 HG SER 4 HG SER 4 -4.541 9.198 -4.508 34 HB2 SER 4 2HB SER 4 -2.921 10.474 -4.946 35 HB3 SER 4 1HB SER 4 -1.784 9.178 -4.571 36 H THR 5 H THR 5 -4.701 9.568 -2.020 37 HA THR 5 HA THR 5 -3.568 7.436 -0.404 38 HB THR 5 HB THR 5 -4.613 8.094 1.660 39 HG1 THR 5 1HG THR 5 -6.133 9.538 1.757 40 HG21 THR 5 3HG2 THR 5 -3.472 10.717 0.824 41 HG22 THR 5 1HG2 THR 5 -2.420 9.304 0.927 42 HG23 THR 5 2HG2 THR 5 -3.311 9.845 2.346 43 H SER 6 H SER 6 -4.741 5.661 -0.329 44 HA SER 6 HA SER 6 -7.538 5.810 -1.266 45 HG SER 6 HG SER 6 -7.439 3.247 -3.308 46 HB2 SER 6 2HB SER 6 -5.860 4.547 -2.724 47 HB3 SER 6 1HB SER 6 -5.773 3.361 -1.422 48 H HIS 7 H HIS 7 -9.105 5.085 0.070 49 HA HIS 7 HA HIS 7 -8.265 3.669 2.523 50 HD1 HIS 7 1HD HIS 7 -9.914 6.793 5.006 51 HD2 HIS 7 2HD HIS 7 -10.017 2.680 4.422 52 HE1 HIS 7 1HE HIS 7 -10.114 5.792 7.302 53 HE2 HIS 7 2HE HIS 7 -10.263 3.307 6.917 54 HB2 HIS 7 2HB HIS 7 -9.260 6.074 2.636 55 HB3 HIS 7 1HB HIS 7 -10.797 5.271 2.345 56 H VAL 8 H VAL 8 -9.157 1.723 2.962 57 HA VAL 8 HA VAL 8 -11.652 0.953 1.625 58 HB VAL 8 HB VAL 8 -9.383 -1.010 1.736 59 HG11 VAL 8 1HG1 VAL 8 -10.600 -2.139 -0.000 60 HG12 VAL 8 2HG1 VAL 8 -11.735 -0.798 -0.137 61 HG13 VAL 8 3HG1 VAL 8 -11.704 -1.781 1.327 62 HG21 VAL 8 3HG2 VAL 8 -9.941 0.759 -0.639 63 HG22 VAL 8 1HG2 VAL 8 -8.663 -0.444 -0.466 64 HG23 VAL 8 2HG2 VAL 8 -8.622 1.029 0.501 65 H ARG 9 H ARG 9 -12.782 -0.813 2.675 66 HA ARG 9 HA ARG 9 -11.992 -1.057 5.491 67 HE ARG 9 HE ARG 9 -14.439 1.240 3.110 68 HB2 ARG 9 2HB ARG 9 -14.618 -1.172 4.097 69 HB3 ARG 9 1HB ARG 9 -14.417 -2.162 5.535 70 HG2 ARG 9 2HG ARG 9 -15.374 -0.068 6.171 71 HG3 ARG 9 1HG ARG 9 -13.717 -0.142 6.779 72 HD2 ARG 9 2HD ARG 9 -14.164 2.048 5.845 73 HD3 ARG 9 1HD ARG 9 -12.970 1.201 4.863 74 HH11 ARG 9 1HH1 ARG 9 -16.182 1.946 6.050 75 HH12 ARG 9 2HH1 ARG 9 -17.651 2.354 5.229 76 HH21 ARG 9 1HH2 ARG 9 -16.371 1.776 2.029 77 HH22 ARG 9 2HH2 ARG 9 -17.759 2.258 2.946 78 H THR 10 H THR 10 -10.680 -2.746 5.790 79 HA THR 10 HA THR 10 -11.534 -5.365 4.750 80 HB THR 10 HB THR 10 -9.312 -4.000 3.850 81 HG1 THR 10 1HG THR 10 -10.440 -5.887 2.984 82 HG21 THR 10 3HG2 THR 10 -8.334 -4.686 6.167 83 HG22 THR 10 1HG2 THR 10 -7.374 -4.847 4.691 84 HG23 THR 10 2HG2 THR 10 -8.166 -6.262 5.387 85 H GLU 11 H GLU 11 -10.782 -7.224 6.019 86 HA GLU 11 HA GLU 11 -10.423 -6.494 8.849 87 HB2 GLU 11 2HB GLU 11 -12.135 -8.346 7.535 88 HB3 GLU 11 1HB GLU 11 -11.028 -9.262 8.550 89 HG2 GLU 11 2HG GLU 11 -12.086 -8.650 10.396 90 HG3 GLU 11 1HG GLU 11 -12.040 -6.949 9.934 91 H SER 12 H SER 12 -8.820 -7.469 10.130 92 HA SER 12 HA SER 12 -6.780 -8.329 10.607 93 HG SER 12 HG SER 12 -5.903 -11.456 8.865 94 HB2 SER 12 2HB SER 12 -7.695 -10.471 10.201 95 HB3 SER 12 1HB SER 12 -7.663 -10.244 8.452 96 H ALA 13 H ALA 13 -7.080 -6.231 8.586 97 HA ALA 13 HA ALA 13 -5.390 -6.375 6.407 98 HB1 ALA 13 3HB ALA 13 -6.851 -4.453 7.085 99 HB2 ALA 13 1HB ALA 13 -5.266 -4.026 6.444 100 HB3 ALA 13 2HB ALA 13 -5.556 -3.991 8.176 101 H ALA 14 H ALA 14 -4.448 -5.295 9.652 102 HA ALA 14 HA ALA 14 -1.866 -4.585 9.291 103 HB1 ALA 14 3HB ALA 14 -1.429 -5.289 11.603 104 HB2 ALA 14 1HB ALA 14 -2.953 -6.180 11.597 105 HB3 ALA 14 2HB ALA 14 -2.956 -4.424 11.411 106 H ARG 15 H ARG 15 -2.974 -7.891 9.000 107 HA ARG 15 HA ARG 15 -0.314 -8.996 9.240 108 HE ARG 15 HE ARG 15 1.208 -13.308 8.584 109 HB2 ARG 15 2HB ARG 15 -2.612 -10.141 9.725 110 HB3 ARG 15 1HB ARG 15 -2.621 -10.455 8.000 111 HG2 ARG 15 2HG ARG 15 -1.041 -11.688 10.141 112 HG3 ARG 15 1HG ARG 15 -1.651 -12.365 8.637 113 HD2 ARG 15 2HD ARG 15 0.199 -11.582 7.405 114 HD3 ARG 15 1HD ARG 15 0.674 -10.457 8.674 115 HH11 ARG 15 1HH1 ARG 15 1.254 -10.366 10.469 116 HH12 ARG 15 2HH1 ARG 15 2.409 -10.971 11.608 117 HH21 ARG 15 1HH2 ARG 15 2.723 -14.100 10.085 118 HH22 ARG 15 2HH2 ARG 15 3.242 -13.087 11.391 119 H TYR 16 H TYR 16 -2.520 -8.178 6.614 120 HA TYR 16 HA TYR 16 -0.892 -9.306 4.574 121 HD1 TYR 16 1HD TYR 16 -2.513 -10.696 4.817 122 HD2 TYR 16 2HD TYR 16 -5.122 -7.625 3.418 123 HE1 TYR 16 1HE TYR 16 -4.401 -12.241 4.945 124 HE2 TYR 16 2HE TYR 16 -7.014 -9.178 3.556 125 HH TYR 16 HH TYR 16 -7.033 -12.065 3.467 126 HB2 TYR 16 2HB TYR 16 -2.908 -7.062 4.334 127 HB3 TYR 16 1HB TYR 16 -2.215 -7.963 2.996 128 H VAL 17 H VAL 17 -0.698 -6.375 6.403 129 HA VAL 17 HA VAL 17 1.070 -5.063 4.535 130 HB VAL 17 HB VAL 17 0.075 -4.366 7.271 131 HG11 VAL 17 1HG1 VAL 17 1.720 -2.263 6.621 132 HG12 VAL 17 2HG1 VAL 17 2.725 -3.657 6.258 133 HG13 VAL 17 3HG1 VAL 17 2.042 -3.454 7.874 134 HG21 VAL 17 3HG2 VAL 17 0.303 -2.754 4.755 135 HG22 VAL 17 1HG2 VAL 17 -0.613 -2.351 6.206 136 HG23 VAL 17 2HG2 VAL 17 -1.110 -3.713 5.196 137 H ASN 18 H ASN 18 1.371 -6.763 7.634 138 HA ASN 18 HA ASN 18 4.184 -6.505 7.793 139 HB2 ASN 18 2HB ASN 18 2.502 -8.668 9.064 140 HB3 ASN 18 1HB ASN 18 4.067 -8.071 9.608 141 HD21 ASN 18 1HD2 ASN 18 1.758 -8.211 11.199 142 HD22 ASN 18 2HD2 ASN 18 1.306 -6.603 11.635 143 H ARG 19 H ARG 19 2.087 -8.784 6.152 144 HA ARG 19 HA ARG 19 4.133 -10.753 5.773 145 HE ARG 19 HE ARG 19 -0.055 -12.551 5.105 146 HB2 ARG 19 2HB ARG 19 1.435 -10.823 5.650 147 HB3 ARG 19 1HB ARG 19 1.820 -10.721 3.938 148 HG2 ARG 19 2HG ARG 19 2.217 -12.891 3.923 149 HG3 ARG 19 1HG ARG 19 3.553 -12.633 5.044 150 HD2 ARG 19 2HD ARG 19 2.068 -14.263 5.983 151 HD3 ARG 19 1HD ARG 19 1.949 -12.774 6.918 152 HH11 ARG 19 1HH1 ARG 19 0.841 -15.008 7.414 153 HH12 ARG 19 2HH1 ARG 19 -0.787 -15.545 7.662 154 HH21 ARG 19 1HH2 ARG 19 -2.197 -13.256 5.429 155 HH22 ARG 19 2HH2 ARG 19 -2.511 -14.550 6.535 156 H LEU 20 H LEU 20 3.314 -7.835 4.170 157 HA LEU 20 HA LEU 20 4.202 -8.523 1.564 158 HG LEU 20 HG LEU 20 1.798 -6.606 2.767 159 HB2 LEU 20 2HB LEU 20 4.007 -5.829 2.894 160 HB3 LEU 20 1HB LEU 20 4.293 -6.078 1.184 161 HD11 LEU 20 1HD1 LEU 20 0.807 -5.026 1.367 162 HD12 LEU 20 2HD1 LEU 20 2.049 -5.211 0.127 163 HD13 LEU 20 3HD1 LEU 20 2.425 -4.371 1.630 164 HD21 LEU 20 3HD2 LEU 20 0.864 -7.519 0.586 165 HD22 LEU 20 1HD2 LEU 20 1.940 -8.592 1.479 166 HD23 LEU 20 2HD2 LEU 20 2.532 -7.725 0.061 167 H CYS 21 H CYS 21 5.821 -6.846 4.258 168 HA CYS 21 HA CYS 21 8.213 -6.264 2.969 169 HG CYS 21 HG CYS 21 6.853 -7.175 6.795 170 HB2 CYS 21 2HB CYS 21 9.248 -6.197 5.185 171 HB3 CYS 21 1HB CYS 21 7.660 -5.439 5.231 172 H LYS 22 H LYS 22 7.117 -9.234 4.463 173 HA LYS 22 HA LYS 22 9.637 -10.580 4.034 174 HB2 LYS 22 2HB LYS 22 6.965 -11.753 4.822 175 HB3 LYS 22 1HB LYS 22 8.532 -12.540 4.954 176 HG2 LYS 22 2HG LYS 22 8.932 -11.608 6.938 177 HG3 LYS 22 1HG LYS 22 8.511 -10.005 6.346 178 HD2 LYS 22 2HD LYS 22 6.991 -10.534 8.119 179 HD3 LYS 22 1HD LYS 22 6.099 -10.595 6.601 180 HE2 LYS 22 2HE LYS 22 6.684 -13.155 6.712 181 HE3 LYS 22 1HE LYS 22 6.887 -12.817 8.434 182 HZ1 LYS 22 3HZ LYS 22 4.618 -11.819 8.359 183 HZ2 LYS 22 1HZ LYS 22 4.665 -13.491 8.101 184 HZ3 LYS 22 2HZ LYS 22 4.449 -12.438 6.795 185 H HIS 23 H HIS 23 6.755 -9.999 2.266 186 HA HIS 23 HA HIS 23 7.049 -12.267 0.507 187 HD1 HIS 23 1HD HIS 23 3.170 -12.672 0.145 188 HD2 HIS 23 2HD HIS 23 6.055 -11.425 -2.573 189 HE1 HIS 23 1HE HIS 23 2.609 -13.835 -2.013 190 HE2 HIS 23 2HE HIS 23 4.423 -13.137 -3.617 191 HB2 HIS 23 2HB HIS 23 4.836 -11.193 1.197 192 HB3 HIS 23 1HB HIS 23 5.234 -9.908 0.060 193 H TRP 24 H TRP 24 7.064 -8.704 -0.044 194 HA TRP 24 HA TRP 24 8.414 -9.170 -2.583 195 HD1 TRP 24 HD TRP 24 4.858 -7.345 -1.129 196 HE1 TRP 24 1HE TRP 24 3.083 -7.988 -2.877 197 HE3 TRP 24 3HE TRP 24 7.902 -7.963 -5.190 198 HZ2 TRP 24 2HZ TRP 24 2.985 -8.668 -5.615 199 HZ3 TRP 24 3HZ TRP 24 6.888 -8.611 -7.335 200 HH2 TRP 24 HH TRP 24 4.479 -8.956 -7.542 201 HB2 TRP 24 2HB TRP 24 7.375 -6.651 -1.281 202 HB3 TRP 24 1HB TRP 24 8.146 -6.704 -2.862 203 H GLY 25 H GLY 25 9.379 -8.601 0.636 204 HA2 GLY 25 2HA GLY 25 11.621 -6.918 0.166 205 HA3 GLY 25 1HA GLY 25 11.369 -7.931 1.571 206 H HIS 26 H HIS 26 12.123 -8.333 -1.890 207 HA HIS 26 HA HIS 26 14.021 -10.445 -1.116 208 HD1 HIS 26 1HD HIS 26 12.827 -13.267 -3.961 209 HD2 HIS 26 2HD HIS 26 11.262 -11.253 -0.681 210 HE1 HIS 26 1HE HIS 26 11.443 -14.965 -2.727 211 HE2 HIS 26 2HE HIS 26 10.577 -13.746 -0.699 212 HB2 HIS 26 2HB HIS 26 12.331 -10.029 -3.559 213 HB3 HIS 26 1HB HIS 26 13.813 -10.974 -3.671 214 H LYS 27 H LYS 27 13.607 -7.443 -2.851 215 HA LYS 27 HA LYS 27 16.512 -7.143 -2.964 216 HB2 LYS 27 2HB LYS 27 16.059 -8.157 -5.108 217 HB3 LYS 27 1HB LYS 27 14.725 -7.056 -5.407 218 HG2 LYS 27 2HG LYS 27 17.270 -5.687 -4.970 219 HG3 LYS 27 1HG LYS 27 17.280 -6.781 -6.352 220 HD2 LYS 27 2HD LYS 27 14.967 -4.937 -6.003 221 HD3 LYS 27 1HD LYS 27 16.493 -4.279 -6.594 222 HE2 LYS 27 2HE LYS 27 15.844 -6.733 -7.957 223 HE3 LYS 27 1HE LYS 27 14.511 -5.586 -8.076 224 HZ1 LYS 27 3HZ LYS 27 17.172 -4.518 -8.556 225 HZ2 LYS 27 1HZ LYS 27 15.712 -4.182 -9.341 226 HZ3 LYS 27 2HZ LYS 27 16.579 -5.582 -9.728 227 H PHE 28 H PHE 28 14.028 -5.921 -1.664 228 HA PHE 28 HA PHE 28 14.785 -3.155 -2.215 229 HD1 PHE 28 1HD PHE 28 13.432 -1.134 -3.639 230 HD2 PHE 28 2HD PHE 28 12.196 -5.098 -4.569 231 HE1 PHE 28 1HE PHE 28 13.623 -0.626 -6.040 232 HE2 PHE 28 2HE PHE 28 12.383 -4.598 -6.972 233 HZ PHE 28 HZ PHE 28 13.098 -2.359 -7.709 234 HB2 PHE 28 2HB PHE 28 12.005 -4.286 -2.364 235 HB3 PHE 28 1HB PHE 28 12.278 -2.588 -1.985 236 H GLU 29 H GLU 29 14.204 -1.670 -0.522 237 HA GLU 29 HA GLU 29 14.551 -2.865 2.074 238 HB2 GLU 29 2HB GLU 29 14.373 -0.428 2.830 239 HB3 GLU 29 1HB GLU 29 15.725 -0.847 1.788 240 HG2 GLU 29 2HG GLU 29 13.352 0.019 0.336 241 HG3 GLU 29 1HG GLU 29 14.011 1.238 1.425 242 H VAL 30 H VAL 30 12.871 -3.793 3.043 243 HA VAL 30 HA VAL 30 10.284 -2.389 2.962 244 HB VAL 30 HB VAL 30 9.565 -4.916 3.658 245 HG11 VAL 30 1HG1 VAL 30 9.710 -3.583 0.982 246 HG12 VAL 30 2HG1 VAL 30 8.311 -3.847 2.027 247 HG13 VAL 30 3HG1 VAL 30 9.034 -5.200 1.161 248 HG21 VAL 30 3HG2 VAL 30 11.601 -5.379 1.506 249 HG22 VAL 30 1HG2 VAL 30 10.720 -6.557 2.479 250 HG23 VAL 30 2HG2 VAL 30 11.991 -5.583 3.215 251 H GLU 31 H GLU 31 9.741 -1.522 4.855 252 HA GLU 31 HA GLU 31 10.910 -2.577 7.312 253 HB2 GLU 31 2HB GLU 31 10.327 0.004 6.423 254 HB3 GLU 31 1HB GLU 31 9.098 -0.323 7.638 255 HG2 GLU 31 2HG GLU 31 10.657 -0.567 9.334 256 HG3 GLU 31 1HG GLU 31 11.980 -0.871 8.209 257 H LEU 32 H LEU 32 9.558 -3.036 9.167 258 HA LEU 32 HA LEU 32 6.749 -3.595 8.529 259 HG LEU 32 HG LEU 32 6.028 -6.315 8.408 260 HB2 LEU 32 2HB LEU 32 8.250 -5.615 8.219 261 HB3 LEU 32 1HB LEU 32 8.500 -5.592 9.951 262 HD11 LEU 32 1HD1 LEU 32 6.219 -8.014 10.482 263 HD12 LEU 32 2HD1 LEU 32 7.918 -7.589 10.268 264 HD13 LEU 32 3HD1 LEU 32 7.004 -8.272 8.924 265 HD21 LEU 32 3HD2 LEU 32 4.817 -6.335 10.611 266 HD22 LEU 32 1HD2 LEU 32 5.136 -4.730 9.958 267 HD23 LEU 32 2HD2 LEU 32 6.129 -5.363 11.269 268 H THR 33 H THR 33 5.690 -2.352 9.894 269 HA THR 33 HA THR 33 6.372 -2.543 12.775 270 HB THR 33 HB THR 33 5.283 -0.104 12.715 271 HG1 THR 33 1HG THR 33 6.584 -0.299 10.204 272 HG21 THR 33 3HG2 THR 33 8.140 -0.821 12.186 273 HG22 THR 33 1HG2 THR 33 7.390 -0.277 13.687 274 HG23 THR 33 2HG2 THR 33 7.616 0.854 12.354 275 HA PRO 34 HA PRO 34 2.075 -3.452 13.193 276 HB2 PRO 34 2HB PRO 34 1.408 -2.380 15.567 277 HB3 PRO 34 1HB PRO 34 2.498 -3.759 15.420 278 HG2 PRO 34 2HG PRO 34 3.140 -0.885 15.897 279 HG3 PRO 34 1HG PRO 34 3.881 -2.331 16.603 280 HD2 PRO 34 2HD PRO 34 4.957 -0.885 14.516 281 HD3 PRO 34 1HD PRO 34 5.321 -2.590 14.850 282 H GLU 35 H GLU 35 2.445 -1.327 11.492 283 HA GLU 35 HA GLU 35 -0.034 0.096 11.830 284 HB2 GLU 35 2HB GLU 35 2.579 1.616 11.668 285 HB3 GLU 35 1HB GLU 35 0.977 2.333 11.567 286 HG2 GLU 35 2HG GLU 35 2.037 0.821 13.941 287 HG3 GLU 35 1HG GLU 35 2.039 2.574 13.776 288 H ARG 36 H ARG 36 2.912 -0.363 9.851 289 HA ARG 36 HA ARG 36 1.374 -0.759 7.521 290 HE ARG 36 HE ARG 36 2.114 3.031 10.096 291 HB2 ARG 36 2HB ARG 36 2.186 1.217 6.247 292 HB3 ARG 36 1HB ARG 36 1.081 1.630 7.548 293 HG2 ARG 36 2HG ARG 36 3.451 1.831 8.829 294 HG3 ARG 36 1HG ARG 36 3.917 2.294 7.192 295 HD2 ARG 36 2HD ARG 36 3.233 4.336 7.826 296 HD3 ARG 36 1HD ARG 36 1.625 3.700 7.489 297 HH11 ARG 36 1HH1 ARG 36 2.056 6.006 8.273 298 HH12 ARG 36 2HH1 ARG 36 1.565 6.971 9.624 299 HH21 ARG 36 1HH2 ARG 36 1.467 4.298 11.875 300 HH22 ARG 36 2HH2 ARG 36 1.231 6.001 11.669 301 H GLY 37 H GLY 37 2.716 -0.807 5.524 302 HA2 GLY 37 2HA GLY 37 5.373 -1.923 6.155 303 HA3 GLY 37 1HA GLY 37 4.377 -2.416 4.795 304 H PHE 38 H PHE 38 7.065 -0.598 5.527 305 HA PHE 38 HA PHE 38 6.571 1.431 3.461 306 HD1 PHE 38 1HD PHE 38 7.161 3.908 3.628 307 HD2 PHE 38 2HD PHE 38 10.793 1.998 4.782 308 HE1 PHE 38 1HE PHE 38 8.445 5.749 2.637 309 HE2 PHE 38 2HE PHE 38 12.078 3.828 3.769 310 HZ PHE 38 HZ PHE 38 10.906 5.708 2.692 311 HB2 PHE 38 2HB PHE 38 7.418 2.179 5.638 312 HB3 PHE 38 1HB PHE 38 8.797 1.103 5.491 313 H ILE 39 H ILE 39 7.288 1.120 1.487 314 HA ILE 39 HA ILE 39 9.700 -0.538 1.070 315 HB ILE 39 HB ILE 39 7.469 -0.679 -0.929 316 HG12 ILE 39 2HG1 ILE 39 7.632 -2.205 1.668 317 HG13 ILE 39 1HG1 ILE 39 6.234 -1.433 0.933 318 HG21 ILE 39 1HG2 ILE 39 8.892 -3.110 -0.622 319 HG22 ILE 39 2HG2 ILE 39 10.069 -1.801 -0.614 320 HG23 ILE 39 3HG2 ILE 39 8.947 -1.968 -1.962 321 HD11 ILE 39 3HD1 ILE 39 6.059 -3.171 -0.702 322 HD12 ILE 39 1HD1 ILE 39 6.155 -3.898 0.902 323 HD13 ILE 39 2HD1 ILE 39 7.568 -3.899 -0.152 324 H ASP 40 H ASP 40 11.103 1.066 0.420 325 HA ASP 40 HA ASP 40 10.114 2.961 -1.591 326 HB2 ASP 40 2HB ASP 40 12.368 4.139 -0.999 327 HB3 ASP 40 1HB ASP 40 10.992 4.280 0.087 328 H PHE 41 H PHE 41 10.839 2.976 -3.570 329 HA PHE 41 HA PHE 41 12.873 1.007 -4.342 330 HD1 PHE 41 2HD PHE 41 10.982 -0.086 -3.756 331 HD2 PHE 41 1HD PHE 41 10.460 0.432 -7.951 332 HE1 PHE 41 2HE PHE 41 9.935 -2.302 -3.895 333 HE2 PHE 41 1HE PHE 41 9.409 -1.788 -8.094 334 HZ PHE 41 HZ PHE 41 9.145 -3.158 -6.064 335 HB2 PHE 41 2HB PHE 41 10.639 2.421 -5.756 336 HB3 PHE 41 1HB PHE 41 11.998 1.834 -6.700 337 H GLY 42 H GLY 42 13.110 3.936 -3.230 338 HA2 GLY 42 2HA GLY 42 15.178 5.147 -3.447 339 HA3 GLY 42 1HA GLY 42 15.186 4.747 -5.160 340 H ASP 43 H ASP 43 14.016 5.996 -6.596 341 HA ASP 43 HA ASP 43 13.156 8.590 -5.585 342 HB2 ASP 43 2HB ASP 43 13.157 7.652 -8.460 343 HB3 ASP 43 1HB ASP 43 13.143 9.311 -7.870 344 H SER 44 H SER 44 11.532 6.849 -4.547 345 HA SER 44 HA SER 44 8.963 7.532 -5.097 346 HG SER 44 HG SER 44 9.891 4.395 -7.466 347 HB2 SER 44 2HB SER 44 8.336 5.204 -6.285 348 HB3 SER 44 1HB SER 44 8.738 6.648 -7.216 349 H ASN 45 H ASN 45 7.374 6.123 -3.888 350 HA ASN 45 HA ASN 45 8.537 3.951 -2.351 351 HB2 ASN 45 2HB ASN 45 7.302 6.198 -0.777 352 HB3 ASN 45 1HB ASN 45 8.348 4.903 -0.208 353 HD21 ASN 45 1HD2 ASN 45 8.386 7.690 -2.408 354 HD22 ASN 45 2HD2 ASN 45 10.002 8.172 -2.037 355 H CYS 46 H CYS 46 6.835 2.989 -0.826 356 HA CYS 46 HA CYS 46 4.095 3.597 -1.541 357 HG CYS 46 HG CYS 46 2.459 1.251 -3.043 358 HB2 CYS 46 2HB CYS 46 4.746 2.088 -3.336 359 HB3 CYS 46 1HB CYS 46 5.337 0.911 -2.167 360 H GLU 47 H GLU 47 3.441 3.900 0.510 361 HA GLU 47 HA GLU 47 4.148 1.928 2.552 362 HB2 GLU 47 2HB GLU 47 4.250 4.586 2.699 363 HB3 GLU 47 1HB GLU 47 2.567 4.393 3.160 364 HG2 GLU 47 2HG GLU 47 3.092 3.422 5.167 365 HG3 GLU 47 1HG GLU 47 4.630 2.780 4.589 366 H LEU 48 H LEU 48 2.476 1.018 3.917 367 HA LEU 48 HA LEU 48 -0.252 1.211 2.866 368 HG LEU 48 HG LEU 48 -0.983 -2.007 3.734 369 HB2 LEU 48 2HB LEU 48 0.752 -0.677 1.673 370 HB3 LEU 48 1HB LEU 48 1.227 -1.413 3.190 371 HD11 LEU 48 1HD1 LEU 48 -2.852 -1.275 2.062 372 HD12 LEU 48 2HD1 LEU 48 -1.758 0.068 1.741 373 HD13 LEU 48 3HD1 LEU 48 -2.359 -0.210 3.376 374 HD21 LEU 48 3HD2 LEU 48 -1.825 -2.987 1.450 375 HD22 LEU 48 1HD2 LEU 48 -0.372 -3.612 2.228 376 HD23 LEU 48 2HD2 LEU 48 -0.235 -2.469 0.892 377 H LEU 49 H LEU 49 -1.474 1.749 4.534 378 HA LEU 49 HA LEU 49 -0.698 0.955 7.246 379 HG LEU 49 HG LEU 49 -2.057 1.814 9.012 380 HB2 LEU 49 2HB LEU 49 -1.564 3.302 6.555 381 HB3 LEU 49 1HB LEU 49 -3.145 2.545 6.563 382 HD11 LEU 49 1HD1 LEU 49 -1.656 4.353 9.756 383 HD12 LEU 49 2HD1 LEU 49 -0.994 4.421 8.122 384 HD13 LEU 49 3HD1 LEU 49 -0.350 3.265 9.289 385 HD21 LEU 49 3HD2 LEU 49 -4.355 2.357 8.741 386 HD22 LEU 49 1HD2 LEU 49 -3.972 3.997 8.216 387 HD23 LEU 49 2HD2 LEU 49 -3.686 3.517 9.889 388 H ALA 50 H ALA 50 -1.668 -0.647 8.366 389 HA ALA 50 HA ALA 50 -4.228 -1.652 7.376 390 HB1 ALA 50 3HB ALA 50 -2.569 -2.920 6.193 391 HB2 ALA 50 1HB ALA 50 -3.411 -3.941 7.345 392 HB3 ALA 50 2HB ALA 50 -1.788 -3.366 7.710 393 H HIS 51 H HIS 51 -5.557 -1.639 9.001 394 HA HIS 51 HA HIS 51 -4.614 -2.481 11.626 395 HD1 HIS 51 1HD HIS 51 -7.593 0.015 13.761 396 HD2 HIS 51 2HD HIS 51 -3.641 -1.176 13.248 397 HE1 HIS 51 1HE HIS 51 -6.501 0.317 16.005 398 HE2 HIS 51 2HE HIS 51 -4.136 -0.489 15.690 399 HB2 HIS 51 2HB HIS 51 -5.819 -0.087 10.988 400 HB3 HIS 51 1HB HIS 51 -7.190 -1.050 11.518 401 HA PRO 52 HA PRO 52 -7.141 -6.055 11.880 402 HB2 PRO 52 2HB PRO 52 -8.857 -4.621 13.867 403 HB3 PRO 52 1HB PRO 52 -8.154 -6.243 13.944 404 HG2 PRO 52 2HG PRO 52 -7.032 -4.253 15.275 405 HG3 PRO 52 1HG PRO 52 -6.024 -5.438 14.428 406 HD2 PRO 52 2HD PRO 52 -6.676 -2.628 13.676 407 HD3 PRO 52 1HD PRO 52 -5.185 -3.545 13.407 408 H ASP 53 H ASP 53 -8.806 -3.025 11.224 409 HA ASP 53 HA ASP 53 -10.742 -4.582 9.693 410 HB2 ASP 53 2HB ASP 53 -11.700 -2.312 11.427 411 HB3 ASP 53 1HB ASP 53 -12.661 -3.519 10.581 412 H HIS 54 H HIS 54 -8.550 -2.126 9.557 413 HA HIS 54 HA HIS 54 -9.857 -1.192 7.146 414 HD1 HIS 54 1HD HIS 54 -10.092 0.426 11.190 415 HD2 HIS 54 2HD HIS 54 -6.975 1.868 8.848 416 HE1 HIS 54 1HE HIS 54 -8.449 1.433 12.804 417 HE2 HIS 54 2HE HIS 54 -6.602 2.358 11.361 418 HB2 HIS 54 2HB HIS 54 -9.450 1.198 7.631 419 HB3 HIS 54 1HB HIS 54 -10.629 0.461 8.699 420 H VAL 55 H VAL 55 -8.423 -0.045 5.643 421 HA VAL 55 HA VAL 55 -5.579 -0.339 6.227 422 HB VAL 55 HB VAL 55 -6.698 -2.328 4.911 423 HG11 VAL 55 1HG1 VAL 55 -7.515 -0.544 3.175 424 HG12 VAL 55 2HG1 VAL 55 -6.984 -2.140 2.650 425 HG13 VAL 55 3HG1 VAL 55 -5.894 -0.761 2.516 426 HG21 VAL 55 3HG2 VAL 55 -4.584 -2.827 3.880 427 HG22 VAL 55 1HG2 VAL 55 -4.311 -2.085 5.455 428 HG23 VAL 55 2HG2 VAL 55 -4.098 -1.134 3.985 429 H LEU 56 H LEU 56 -4.317 1.193 5.311 430 HA LEU 56 HA LEU 56 -5.632 3.134 3.520 431 HG LEU 56 HG LEU 56 -6.404 4.715 5.484 432 HB2 LEU 56 2HB LEU 56 -4.332 3.540 6.069 433 HB3 LEU 56 1HB LEU 56 -3.468 4.412 4.825 434 HD11 LEU 56 1HD1 LEU 56 -5.879 6.705 6.580 435 HD12 LEU 56 2HD1 LEU 56 -4.247 6.752 5.914 436 HD13 LEU 56 3HD1 LEU 56 -4.663 5.560 7.146 437 HD21 LEU 56 3HD2 LEU 56 -6.404 5.399 3.302 438 HD22 LEU 56 1HD2 LEU 56 -4.687 5.808 3.312 439 HD23 LEU 56 2HD2 LEU 56 -5.857 6.891 4.061 440 H MET 57 H MET 57 -4.436 3.930 1.814 441 HA MET 57 HA MET 57 -1.818 2.660 1.394 442 HB2 MET 57 2HB MET 57 -3.744 3.191 -0.850 443 HB3 MET 57 1HB MET 57 -2.325 2.150 -0.844 444 HG2 MET 57 2HG MET 57 -3.437 0.632 0.725 445 HG3 MET 57 1HG MET 57 -4.865 1.668 0.694 446 HE1 MET 57 3HE MET 57 -6.562 1.513 -2.219 447 HE2 MET 57 1HE MET 57 -6.559 1.539 -0.456 448 HE3 MET 57 2HE MET 57 -6.991 0.062 -1.316 449 H ILE 58 H ILE 58 -0.276 4.189 1.401 450 HA ILE 58 HA ILE 58 -0.863 6.726 0.037 451 HB ILE 58 HB ILE 58 0.929 6.376 2.446 452 HG12 ILE 58 2HG1 ILE 58 -1.929 6.702 2.290 453 HG13 ILE 58 1HG1 ILE 58 -0.921 6.505 3.710 454 HG21 ILE 58 1HG2 ILE 58 0.012 8.867 1.025 455 HG22 ILE 58 2HG2 ILE 58 1.616 8.141 0.900 456 HG23 ILE 58 3HG2 ILE 58 1.064 8.799 2.440 457 HD11 ILE 58 3HD1 ILE 58 -1.206 9.174 2.381 458 HD12 ILE 58 1HD1 ILE 58 -0.713 8.797 4.032 459 HD13 ILE 58 2HD1 ILE 58 -2.394 8.585 3.546 460 H LEU 59 H LEU 59 0.653 7.431 -1.390 461 HA LEU 59 HA LEU 59 3.112 5.824 -1.610 462 HG LEU 59 HG LEU 59 1.329 6.977 -5.316 463 HB2 LEU 59 2HB LEU 59 3.006 5.838 -3.937 464 HB3 LEU 59 1HB LEU 59 1.367 5.492 -3.431 465 HD11 LEU 59 1HD1 LEU 59 0.640 8.491 -2.819 466 HD12 LEU 59 2HD1 LEU 59 -0.372 7.266 -3.585 467 HD13 LEU 59 3HD1 LEU 59 -0.010 8.771 -4.431 468 HD21 LEU 59 3HD2 LEU 59 3.650 8.049 -4.393 469 HD22 LEU 59 1HD2 LEU 59 2.488 9.312 -3.999 470 HD23 LEU 59 2HD2 LEU 59 2.643 8.750 -5.657 471 H ASN 60 H ASN 60 5.008 6.861 -2.130 472 HA ASN 60 HA ASN 60 4.900 9.806 -2.161 473 HB2 ASN 60 2HB ASN 60 7.200 8.210 -1.022 474 HB3 ASN 60 1HB ASN 60 6.887 9.935 -0.848 475 HD21 ASN 60 1HD2 ASN 60 7.412 8.536 1.366 476 HD22 ASN 60 2HD2 ASN 60 5.985 8.319 2.316 477 H SER 61 H SER 61 5.163 10.209 -4.288 478 HA SER 61 HA SER 61 7.649 9.205 -5.507 479 HG SER 61 HG SER 61 5.606 7.175 -5.255 480 HB2 SER 61 2HB SER 61 5.380 9.061 -7.360 481 HB3 SER 61 1HB SER 61 6.704 7.930 -7.109 482 HA PRO 62 HA PRO 62 7.908 13.366 -7.033 483 HB2 PRO 62 2HB PRO 62 9.873 12.974 -8.836 484 HB3 PRO 62 1HB PRO 62 10.139 12.998 -7.092 485 HG2 PRO 62 2HG PRO 62 9.798 10.629 -8.901 486 HG3 PRO 62 1HG PRO 62 11.032 10.911 -7.656 487 HD2 PRO 62 2HD PRO 62 8.888 9.394 -7.176 488 HD3 PRO 62 1HD PRO 62 9.563 10.455 -5.926 489 H ASP 63 H ASP 63 6.812 10.741 -8.959 490 HA ASP 63 HA ASP 63 5.867 12.689 -10.934 491 HB2 ASP 63 2HB ASP 63 6.321 10.993 -12.747 492 HB3 ASP 63 1HB ASP 63 7.756 11.722 -12.034 493 H GLU 64 H GLU 64 3.812 12.187 -11.859 494 HA GLU 64 HA GLU 64 2.109 10.623 -10.207 495 HB2 GLU 64 2HB GLU 64 1.715 11.945 -12.862 496 HB3 GLU 64 1HB GLU 64 0.597 10.673 -12.405 497 HG2 GLU 64 2HG GLU 64 -0.484 12.450 -11.516 498 HG3 GLU 64 1HG GLU 64 0.514 11.988 -10.134 499 H ASP 65 H ASP 65 3.676 9.760 -13.323 500 HA ASP 65 HA ASP 65 2.513 7.308 -13.789 501 HB2 ASP 65 2HB ASP 65 4.329 8.432 -15.151 502 HB3 ASP 65 1HB ASP 65 5.484 7.826 -13.966 503 H SER 66 H SER 66 5.369 7.987 -11.798 504 HA SER 66 HA SER 66 5.620 5.425 -10.644 505 HG SER 66 HG SER 66 7.839 5.943 -10.823 506 HB2 SER 66 2HB SER 66 6.472 8.172 -9.721 507 HB3 SER 66 1HB SER 66 6.854 6.708 -8.813 508 H LEU 67 H LEU 67 4.297 8.414 -9.384 509 HA LEU 67 HA LEU 67 3.217 7.786 -7.003 510 HG LEU 67 HG LEU 67 1.024 9.532 -6.501 511 HB2 LEU 67 2HB LEU 67 3.083 9.999 -7.793 512 HB3 LEU 67 1HB LEU 67 2.241 9.526 -9.239 513 HD11 LEU 67 1HD1 LEU 67 -0.235 11.460 -7.958 514 HD12 LEU 67 2HD1 LEU 67 1.453 11.645 -8.429 515 HD13 LEU 67 3HD1 LEU 67 0.998 11.732 -6.728 516 HD21 LEU 67 3HD2 LEU 67 -0.328 8.074 -7.656 517 HD22 LEU 67 1HD2 LEU 67 -0.010 8.855 -9.204 518 HD23 LEU 67 2HD2 LEU 67 -1.087 9.618 -8.038 519 H ALA 68 H ALA 68 1.312 7.484 -10.025 520 HA ALA 68 HA ALA 68 -0.793 6.081 -8.745 521 HB1 ALA 68 3HB ALA 68 -1.431 7.115 -10.728 522 HB2 ALA 68 1HB ALA 68 -1.325 5.419 -11.200 523 HB3 ALA 68 2HB ALA 68 -0.018 6.532 -11.609 524 H HIS 69 H HIS 69 2.129 5.064 -10.431 525 HA HIS 69 HA HIS 69 1.596 2.347 -10.729 526 HD1 HIS 69 1HD HIS 69 2.719 0.424 -10.175 527 HD2 HIS 69 2HD HIS 69 6.108 1.994 -11.996 528 HE1 HIS 69 1HE HIS 69 4.089 -1.565 -10.874 529 HE2 HIS 69 2HE HIS 69 6.092 -0.592 -12.052 530 HB2 HIS 69 2HB HIS 69 3.602 3.583 -11.619 531 HB3 HIS 69 1HB HIS 69 4.282 3.530 -9.996 532 H MET 70 H MET 70 2.701 4.190 -7.965 533 HA MET 70 HA MET 70 3.107 1.878 -6.284 534 HB2 MET 70 2HB MET 70 2.810 4.687 -5.266 535 HB3 MET 70 1HB MET 70 3.817 3.402 -4.624 536 HG2 MET 70 2HG MET 70 4.536 4.210 -7.337 537 HG3 MET 70 1HG MET 70 4.678 5.494 -6.142 538 HE1 MET 70 3HE MET 70 6.903 3.387 -7.975 539 HE2 MET 70 1HE MET 70 5.853 2.086 -7.414 540 HE3 MET 70 2HE MET 70 7.540 2.140 -6.904 541 H GLN 71 H GLN 71 0.740 4.602 -6.138 542 HA GLN 71 HA GLN 71 -0.811 3.524 -4.119 543 HB2 GLN 71 2HB GLN 71 -2.741 4.852 -5.285 544 HB3 GLN 71 1HB GLN 71 -1.429 5.696 -4.491 545 HG2 GLN 71 2HG GLN 71 -0.882 6.716 -6.376 546 HG3 GLN 71 1HG GLN 71 -0.837 5.198 -7.266 547 HE21 GLN 71 1HE2 GLN 71 -2.282 8.127 -7.102 548 HE22 GLN 71 2HE2 GLN 71 -3.762 7.773 -7.918 549 H ASN 72 H ASN 72 -0.747 2.659 -7.493 550 HA ASN 72 HA ASN 72 -3.237 1.201 -7.354 551 HB2 ASN 72 2HB ASN 72 -2.017 2.327 -9.435 552 HB3 ASN 72 1HB ASN 72 -1.306 0.721 -9.568 553 HD21 ASN 72 1HD2 ASN 72 -2.426 0.588 -11.590 554 HD22 ASN 72 2HD2 ASN 72 -4.098 0.153 -11.622 555 H VAL 73 H VAL 73 0.221 0.388 -7.491 556 HA VAL 73 HA VAL 73 0.190 -2.321 -7.702 557 HB VAL 73 HB VAL 73 1.947 -0.483 -6.117 558 HG11 VAL 73 1HG1 VAL 73 2.146 -3.491 -6.125 559 HG12 VAL 73 2HG1 VAL 73 1.948 -2.434 -4.727 560 HG13 VAL 73 3HG1 VAL 73 3.454 -2.409 -5.645 561 HG21 VAL 73 3HG2 VAL 73 3.361 -0.649 -7.867 562 HG22 VAL 73 1HG2 VAL 73 1.897 -1.121 -8.729 563 HG23 VAL 73 2HG2 VAL 73 3.006 -2.355 -8.131 564 H VAL 74 H VAL 74 -0.469 -0.445 -4.777 565 HA VAL 74 HA VAL 74 -0.768 -2.721 -3.080 566 HB VAL 74 HB VAL 74 -1.817 0.085 -2.717 567 HG11 VAL 74 1HG1 VAL 74 -2.194 -0.423 -0.420 568 HG12 VAL 74 2HG1 VAL 74 -1.455 -2.014 -0.588 569 HG13 VAL 74 3HG1 VAL 74 -2.998 -1.673 -1.367 570 HG21 VAL 74 3HG2 VAL 74 0.320 0.614 -2.358 571 HG22 VAL 74 1HG2 VAL 74 0.816 -1.077 -2.430 572 HG23 VAL 74 2HG2 VAL 74 0.245 -0.388 -0.911 573 H ALA 75 H ALA 75 -3.114 -0.622 -4.787 574 HA ALA 75 HA ALA 75 -5.491 -1.640 -3.885 575 HB1 ALA 75 3HB ALA 75 -5.468 0.199 -5.430 576 HB2 ALA 75 1HB ALA 75 -6.417 -1.109 -6.136 577 HB3 ALA 75 2HB ALA 75 -4.773 -0.813 -6.697 578 H ASP 76 H ASP 76 -3.132 -3.113 -5.940 579 HA ASP 76 HA ASP 76 -4.818 -5.253 -6.858 580 HB2 ASP 76 2HB ASP 76 -2.479 -4.236 -7.758 581 HB3 ASP 76 1HB ASP 76 -1.880 -5.629 -6.863 582 H HIS 77 H HIS 77 -2.351 -4.871 -4.339 583 HA HIS 77 HA HIS 77 -2.230 -7.541 -3.511 584 HD1 HIS 77 1HD HIS 77 -0.701 -6.300 -4.901 585 HD2 HIS 77 2HD HIS 77 1.090 -4.672 -1.524 586 HE1 HIS 77 1HE HIS 77 1.546 -5.472 -5.665 587 HE2 HIS 77 2HE HIS 77 2.578 -4.417 -3.624 588 HB2 HIS 77 2HB HIS 77 -1.876 -5.119 -1.735 589 HB3 HIS 77 1HB HIS 77 -1.223 -6.725 -1.472 590 H LEU 78 H LEU 78 -4.413 -4.932 -2.480 591 HA LEU 78 HA LEU 78 -5.690 -6.394 -0.438 592 HG LEU 78 HG LEU 78 -4.964 -3.192 -0.705 593 HB2 LEU 78 2HB LEU 78 -6.623 -4.071 -2.128 594 HB3 LEU 78 1HB LEU 78 -7.552 -4.722 -0.793 595 HD11 LEU 78 1HD1 LEU 78 -7.186 -2.045 -0.669 596 HD12 LEU 78 2HD1 LEU 78 -6.160 -1.730 0.731 597 HD13 LEU 78 3HD1 LEU 78 -7.509 -2.858 0.863 598 HD21 LEU 78 3HD2 LEU 78 -4.985 -3.669 1.766 599 HD22 LEU 78 1HD2 LEU 78 -4.509 -5.026 0.746 600 HD23 LEU 78 2HD2 LEU 78 -6.131 -4.967 1.434 601 H GLN 79 H GLN 79 -6.003 -6.333 -3.896 602 HA GLN 79 HA GLN 79 -8.576 -7.572 -4.005 603 HB2 GLN 79 2HB GLN 79 -7.870 -6.265 -5.883 604 HB3 GLN 79 1HB GLN 79 -6.407 -7.218 -6.073 605 HG2 GLN 79 2HG GLN 79 -7.572 -9.051 -6.934 606 HG3 GLN 79 1HG GLN 79 -9.122 -8.450 -6.348 607 HE21 GLN 79 1HE2 GLN 79 -9.308 -5.967 -7.219 608 HE22 GLN 79 2HE2 GLN 79 -9.216 -5.879 -8.942 609 H ARG 80 H ARG 80 -5.240 -8.810 -4.291 610 HA ARG 80 HA ARG 80 -5.922 -11.453 -4.894 611 HE ARG 80 HE ARG 80 -1.686 -14.693 -4.390 612 HB2 ARG 80 2HB ARG 80 -3.696 -10.887 -5.290 613 HB3 ARG 80 1HB ARG 80 -3.516 -10.097 -3.732 614 HG2 ARG 80 2HG ARG 80 -2.989 -12.009 -2.668 615 HG3 ARG 80 1HG ARG 80 -4.044 -13.000 -3.678 616 HD2 ARG 80 2HD ARG 80 -2.441 -12.841 -5.513 617 HD3 ARG 80 1HD ARG 80 -1.392 -11.833 -4.517 618 HH11 ARG 80 1HH1 ARG 80 -0.720 -11.827 -2.646 619 HH12 ARG 80 2HH1 ARG 80 0.314 -12.689 -1.557 620 HH21 ARG 80 1HH2 ARG 80 -0.326 -15.826 -2.958 621 HH22 ARG 80 2HH2 ARG 80 0.539 -14.958 -1.734 622 H MET 81 H MET 81 -5.655 -9.717 -1.849 623 HA MET 81 HA MET 81 -5.934 -12.106 -0.264 624 HB2 MET 81 2HB MET 81 -5.994 -10.598 1.657 625 HB3 MET 81 1HB MET 81 -4.646 -10.239 0.596 626 HG2 MET 81 2HG MET 81 -5.514 -8.173 1.298 627 HG3 MET 81 1HG MET 81 -6.022 -8.377 -0.375 628 HE1 MET 81 3HE MET 81 -8.928 -6.374 1.379 629 HE2 MET 81 1HE MET 81 -7.377 -6.233 0.557 630 HE3 MET 81 2HE MET 81 -7.430 -6.460 2.304 631 H ALA 82 H ALA 82 -8.088 -10.071 -1.914 632 HA ALA 82 HA ALA 82 -10.352 -11.370 -0.564 633 HB1 ALA 82 3HB ALA 82 -10.362 -9.328 0.593 634 HB2 ALA 82 1HB ALA 82 -11.567 -9.123 -0.679 635 HB3 ALA 82 2HB ALA 82 -9.967 -8.402 -0.855 636 H ASN 83 H ASN 83 -11.348 -12.441 -2.135 637 HA ASN 83 HA ASN 83 -11.360 -11.352 -4.851 638 HB2 ASN 83 2HB ASN 83 -11.332 -14.018 -3.701 639 HB3 ASN 83 1HB ASN 83 -12.608 -13.851 -4.903 640 HD21 ASN 83 1HD2 ASN 83 -11.914 -14.705 -6.720 641 HD22 ASN 83 2HD2 ASN 83 -10.370 -14.435 -7.447 642 H SER 84 H SER 84 -13.567 -12.460 -5.945 643 HA SER 84 HA SER 84 -15.850 -12.409 -6.117 644 HG SER 84 HG SER 84 -18.041 -11.474 -4.487 645 HB2 SER 84 2HB SER 84 -15.765 -12.875 -3.562 646 HB3 SER 84 1HB SER 84 -16.133 -11.158 -3.402 647 H GLU 85 H GLU 85 -13.806 -9.818 -5.637 648 HA GLU 85 HA GLU 85 -15.380 -8.083 -7.229 649 HB2 GLU 85 2HB GLU 85 -15.767 -6.294 -5.610 650 HB3 GLU 85 1HB GLU 85 -16.597 -7.766 -5.123 651 HG2 GLU 85 2HG GLU 85 -14.604 -8.226 -3.629 652 HG3 GLU 85 1HG GLU 85 -14.104 -6.568 -3.962 653 H SER 86 H SER 86 -14.183 -6.355 -8.029 654 HA SER 86 HA SER 86 -11.335 -6.601 -7.713 655 HG SER 86 HG SER 86 -13.766 -4.271 -8.794 656 HB2 SER 86 2HB SER 86 -11.432 -4.513 -9.290 657 HB3 SER 86 1HB SER 86 -11.912 -6.091 -9.912 658 H LEU 87 H LEU 87 -11.509 -6.120 -5.370 659 HA LEU 87 HA LEU 87 -11.696 -4.659 -3.550 660 HG LEU 87 HG LEU 87 -8.183 -4.708 -3.012 661 HB2 LEU 87 2HB LEU 87 -9.240 -4.543 -5.014 662 HB3 LEU 87 1HB LEU 87 -9.575 -2.957 -4.342 663 HD11 LEU 87 1HD1 LEU 87 -10.251 -2.798 -2.013 664 HD12 LEU 87 2HD1 LEU 87 -8.494 -2.634 -2.040 665 HD13 LEU 87 3HD1 LEU 87 -9.261 -3.715 -0.877 666 HD21 LEU 87 3HD2 LEU 87 -9.933 -6.469 -3.088 667 HD22 LEU 87 1HD2 LEU 87 -10.952 -5.439 -2.083 668 HD23 LEU 87 2HD2 LEU 87 -9.420 -6.044 -1.457 669 H GLU 88 H GLU 88 -13.314 -3.252 -3.264 670 HA GLU 88 HA GLU 88 -13.719 -1.014 -5.012 671 HB2 GLU 88 2HB GLU 88 -15.559 -2.074 -3.691 672 HB3 GLU 88 1HB GLU 88 -14.799 -1.483 -2.220 673 HG2 GLU 88 2HG GLU 88 -15.376 0.702 -2.635 674 HG3 GLU 88 1HG GLU 88 -15.506 0.450 -4.374 675 H ILE 89 H ILE 89 -11.919 0.283 -5.068 676 HA ILE 89 HA ILE 89 -11.184 1.534 -2.524 677 HB ILE 89 HB ILE 89 -8.872 1.372 -2.881 678 HG12 ILE 89 2HG1 ILE 89 -9.118 1.901 -5.432 679 HG13 ILE 89 1HG1 ILE 89 -7.744 0.966 -4.874 680 HG21 ILE 89 1HG2 ILE 89 -8.464 -1.048 -3.374 681 HG22 ILE 89 2HG2 ILE 89 -10.183 -1.179 -3.745 682 HG23 ILE 89 3HG2 ILE 89 -9.665 -0.715 -2.128 683 HD11 ILE 89 3HD1 ILE 89 -8.746 0.065 -6.920 684 HD12 ILE 89 1HD1 ILE 89 -10.252 -0.209 -6.042 685 HD13 ILE 89 2HD1 ILE 89 -8.790 -1.080 -5.577 686 H ALA 90 H ALA 90 -11.172 3.758 -2.584 687 HA ALA 90 HA ALA 90 -11.378 4.970 -5.254 688 HB1 ALA 90 3HB ALA 90 -11.889 6.423 -2.670 689 HB2 ALA 90 1HB ALA 90 -13.134 5.432 -3.437 690 HB3 ALA 90 2HB ALA 90 -12.456 6.816 -4.293 691 H TRP 91 H TRP 91 -9.489 5.558 -6.032 692 HA TRP 91 HA TRP 91 -7.355 6.389 -4.236 693 HD1 TRP 91 HD TRP 91 -8.348 3.803 -7.708 694 HE1 TRP 91 1HE TRP 91 -9.054 4.510 -10.080 695 HE3 TRP 91 3HE TRP 91 -6.405 8.532 -7.761 696 HZ2 TRP 91 2HZ TRP 91 -8.818 6.772 -11.752 697 HZ3 TRP 91 3HZ TRP 91 -6.688 9.902 -9.784 698 HH2 TRP 91 HH TRP 91 -7.870 9.038 -11.739 699 HB2 TRP 91 2HB TRP 91 -5.951 6.353 -6.303 700 HB3 TRP 91 1HB TRP 91 -6.710 4.808 -5.932 701 H GLN 92 H GLN 92 -6.622 8.402 -4.024 702 HA GLN 92 HA GLN 92 -8.114 10.525 -5.338 703 HB2 GLN 92 2HB GLN 92 -6.085 10.538 -3.100 704 HB3 GLN 92 1HB GLN 92 -6.776 12.005 -3.780 705 HG2 GLN 92 2HG GLN 92 -9.036 11.104 -3.188 706 HG3 GLN 92 1HG GLN 92 -8.214 9.810 -2.317 707 HE21 GLN 92 1HE2 GLN 92 -6.611 10.549 -0.673 708 HE22 GLN 92 2HE2 GLN 92 -7.026 11.930 0.278 709 HA PRO 93 HA PRO 93 -5.333 11.587 -8.578 710 HB2 PRO 93 2HB PRO 93 -5.423 14.306 -7.365 711 HB3 PRO 93 1HB PRO 93 -5.636 13.828 -9.054 712 HG2 PRO 93 2HG PRO 93 -7.744 14.455 -7.553 713 HG3 PRO 93 1HG PRO 93 -7.821 13.117 -8.715 714 HD2 PRO 93 2HD PRO 93 -7.647 13.042 -5.749 715 HD3 PRO 93 1HD PRO 93 -8.405 11.892 -6.868 716 H ALA 94 H ALA 94 -4.656 12.897 -5.363 717 HA ALA 94 HA ALA 94 -2.653 12.538 -4.174 718 HB1 ALA 94 3HB ALA 94 -0.669 11.848 -5.123 719 HB2 ALA 94 1HB ALA 94 -0.981 12.684 -6.643 720 HB3 ALA 94 2HB ALA 94 -1.828 11.182 -6.273 721 H GLU 95 H GLU 95 -0.252 13.954 -4.841 722 HA GLU 95 HA GLU 95 0.607 16.050 -4.604 723 HB2 GLU 95 2HB GLU 95 -0.085 16.159 -6.976 724 HB3 GLU 95 1HB GLU 95 -1.649 16.788 -6.475 725 HG2 GLU 95 2HG GLU 95 -0.109 18.532 -7.280 726 HG3 GLU 95 1HG GLU 95 -0.635 18.784 -5.616 727 H SER 96 H SER 96 0.261 16.523 -2.478 728 HA SER 96 HA SER 96 -2.261 17.871 -1.788 729 HG SER 96 HG SER 96 -2.309 15.273 0.353 730 HB2 SER 96 2HB SER 96 -0.215 16.592 0.043 731 HB3 SER 96 1HB SER 96 -1.736 17.329 0.550 Start of MODEL 9 1 HA MET 1 HA MET 1 6.965 13.179 -5.297 2 HB2 MET 1 2HB MET 1 7.551 12.981 -2.966 3 HB3 MET 1 1HB MET 1 8.905 13.658 -3.864 4 HG2 MET 1 2HG MET 1 7.200 15.736 -2.808 5 HG3 MET 1 1HG MET 1 7.758 14.654 -1.538 6 HE1 MET 1 3HE MET 1 10.235 17.556 -1.015 7 HE2 MET 1 1HE MET 1 9.496 16.191 -0.178 8 HE3 MET 1 2HE MET 1 8.482 17.353 -1.033 9 H PHE 2 H PHE 2 4.894 13.449 -5.886 10 HA PHE 2 HA PHE 2 3.081 15.117 -4.351 11 HD1 PHE 2 2HD PHE 2 3.653 16.474 -6.588 12 HD2 PHE 2 1HD PHE 2 2.874 12.692 -8.381 13 HE1 PHE 2 2HE PHE 2 4.920 17.161 -8.582 14 HE2 PHE 2 1HE PHE 2 4.127 13.378 -10.378 15 HZ PHE 2 HZ PHE 2 5.157 15.612 -10.482 16 HB2 PHE 2 2HB PHE 2 2.033 13.120 -6.301 17 HB3 PHE 2 1HB PHE 2 1.552 14.792 -6.049 18 H ARG 3 H ARG 3 0.926 13.952 -3.570 19 HA ARG 3 HA ARG 3 1.499 11.245 -2.678 20 HE ARG 3 HE ARG 3 4.429 12.405 1.662 21 HB2 ARG 3 2HB ARG 3 2.016 13.392 -0.949 22 HB3 ARG 3 1HB ARG 3 0.505 12.686 -0.383 23 HG2 ARG 3 2HG ARG 3 1.777 11.226 0.695 24 HG3 ARG 3 1HG ARG 3 2.061 10.487 -0.866 25 HD2 ARG 3 2HD ARG 3 4.209 11.031 -0.789 26 HD3 ARG 3 1HD ARG 3 3.820 12.725 -0.502 27 HH11 ARG 3 1HH1 ARG 3 3.454 9.320 0.356 28 HH12 ARG 3 2HH1 ARG 3 3.829 8.447 1.804 29 HH21 ARG 3 1HH2 ARG 3 4.922 11.260 3.568 30 HH22 ARG 3 2HH2 ARG 3 4.662 9.548 3.628 31 H SER 4 H SER 4 -0.206 10.005 -2.817 32 HA SER 4 HA SER 4 -2.908 11.167 -2.722 33 HG SER 4 HG SER 4 -4.407 8.944 -4.294 34 HB2 SER 4 2HB SER 4 -2.920 10.338 -4.877 35 HB3 SER 4 1HB SER 4 -1.651 9.157 -4.536 36 H THR 5 H THR 5 -4.582 9.565 -1.907 37 HA THR 5 HA THR 5 -3.445 7.475 -0.241 38 HB THR 5 HB THR 5 -4.446 8.211 1.816 39 HG1 THR 5 1HG THR 5 -5.410 10.483 0.431 40 HG21 THR 5 3HG2 THR 5 -3.306 10.797 0.871 41 HG22 THR 5 1HG2 THR 5 -2.261 9.383 1.003 42 HG23 THR 5 2HG2 THR 5 -3.123 9.977 2.418 43 H SER 6 H SER 6 -4.599 5.692 -0.281 44 HA SER 6 HA SER 6 -7.409 5.871 -1.157 45 HG SER 6 HG SER 6 -7.947 3.202 -1.294 46 HB2 SER 6 2HB SER 6 -5.862 4.572 -2.626 47 HB3 SER 6 1HB SER 6 -5.567 3.470 -1.282 48 H HIS 7 H HIS 7 -9.002 5.191 0.163 49 HA HIS 7 HA HIS 7 -8.231 3.810 2.659 50 HD1 HIS 7 1HD HIS 7 -10.088 2.999 4.368 51 HD2 HIS 7 2HD HIS 7 -9.656 7.032 5.267 52 HE1 HIS 7 1HE HIS 7 -10.180 3.142 6.875 53 HE2 HIS 7 2HE HIS 7 -9.995 5.600 7.392 54 HB2 HIS 7 2HB HIS 7 -9.206 6.252 2.668 55 HB3 HIS 7 1HB HIS 7 -10.741 5.430 2.439 56 H VAL 8 H VAL 8 -9.141 1.865 3.053 57 HA VAL 8 HA VAL 8 -11.654 1.159 1.710 58 HB VAL 8 HB VAL 8 -9.451 -0.876 1.805 59 HG11 VAL 8 1HG1 VAL 8 -11.806 -1.519 1.326 60 HG12 VAL 8 2HG1 VAL 8 -10.675 -1.924 0.036 61 HG13 VAL 8 3HG1 VAL 8 -11.734 -0.524 -0.129 62 HG21 VAL 8 3HG2 VAL 8 -9.878 0.981 -0.530 63 HG22 VAL 8 1HG2 VAL 8 -8.666 -0.290 -0.375 64 HG23 VAL 8 2HG2 VAL 8 -8.568 1.149 0.639 65 H ARG 9 H ARG 9 -12.819 -0.589 2.750 66 HA ARG 9 HA ARG 9 -12.026 -0.868 5.560 67 HE ARG 9 HE ARG 9 -15.321 0.854 3.659 68 HB2 ARG 9 2HB ARG 9 -14.662 -0.952 4.173 69 HB3 ARG 9 1HB ARG 9 -14.464 -1.897 5.642 70 HG2 ARG 9 2HG ARG 9 -15.381 0.241 6.208 71 HG3 ARG 9 1HG ARG 9 -13.725 0.146 6.815 72 HD2 ARG 9 2HD ARG 9 -14.322 2.319 5.729 73 HD3 ARG 9 1HD ARG 9 -12.911 1.512 5.047 74 HH11 ARG 9 1HH1 ARG 9 -12.824 3.271 3.968 75 HH12 ARG 9 2HH1 ARG 9 -13.036 3.875 2.359 76 HH21 ARG 9 1HH2 ARG 9 -15.601 1.644 1.542 77 HH22 ARG 9 2HH2 ARG 9 -14.612 2.951 0.981 78 H THR 10 H THR 10 -10.751 -2.586 5.849 79 HA THR 10 HA THR 10 -11.666 -5.177 4.793 80 HB THR 10 HB THR 10 -9.406 -3.845 3.914 81 HG1 THR 10 1HG THR 10 -10.164 -6.565 3.860 82 HG21 THR 10 3HG2 THR 10 -8.466 -4.680 6.225 83 HG22 THR 10 1HG2 THR 10 -7.498 -4.735 4.746 84 HG23 THR 10 2HG2 THR 10 -8.301 -6.195 5.329 85 H GLU 11 H GLU 11 -10.962 -7.061 6.047 86 HA GLU 11 HA GLU 11 -10.594 -6.361 8.882 87 HB2 GLU 11 2HB GLU 11 -12.335 -8.169 7.545 88 HB3 GLU 11 1HB GLU 11 -11.253 -9.115 8.559 89 HG2 GLU 11 2HG GLU 11 -12.307 -8.496 10.404 90 HG3 GLU 11 1HG GLU 11 -12.225 -6.792 9.956 91 H SER 12 H SER 12 -9.018 -7.379 10.164 92 HA SER 12 HA SER 12 -6.997 -8.280 10.645 93 HG SER 12 HG SER 12 -5.600 -10.300 10.120 94 HB2 SER 12 2HB SER 12 -7.952 -10.400 10.221 95 HB3 SER 12 1HB SER 12 -7.907 -10.164 8.473 96 H ALA 13 H ALA 13 -7.247 -6.164 8.638 97 HA ALA 13 HA ALA 13 -5.546 -6.328 6.466 98 HB1 ALA 13 3HB ALA 13 -5.370 -3.973 6.531 99 HB2 ALA 13 1HB ALA 13 -5.709 -3.955 8.254 100 HB3 ALA 13 2HB ALA 13 -6.978 -4.386 7.122 101 H ALA 14 H ALA 14 -4.618 -5.292 9.729 102 HA ALA 14 HA ALA 14 -2.023 -4.614 9.399 103 HB1 ALA 14 3HB ALA 14 -1.620 -5.348 11.709 104 HB2 ALA 14 1HB ALA 14 -3.158 -6.212 11.679 105 HB3 ALA 14 2HB ALA 14 -3.129 -4.455 11.508 106 H ARG 15 H ARG 15 -3.169 -7.916 9.109 107 HA ARG 15 HA ARG 15 -0.514 -9.037 9.342 108 HE ARG 15 HE ARG 15 0.464 -13.429 9.160 109 HB2 ARG 15 2HB ARG 15 -2.784 -10.184 9.870 110 HB3 ARG 15 1HB ARG 15 -2.868 -10.469 8.142 111 HG2 ARG 15 2HG ARG 15 -1.244 -11.779 10.197 112 HG3 ARG 15 1HG ARG 15 -1.879 -12.399 8.676 113 HD2 ARG 15 2HD ARG 15 -0.053 -11.477 7.444 114 HD3 ARG 15 1HD ARG 15 0.491 -10.546 8.838 115 HH11 ARG 15 1HH1 ARG 15 2.336 -10.579 8.393 116 HH12 ARG 15 2HH1 ARG 15 3.852 -11.328 8.762 117 HH21 ARG 15 1HH2 ARG 15 2.459 -14.409 9.641 118 HH22 ARG 15 2HH2 ARG 15 3.924 -13.500 9.468 119 H TYR 16 H TYR 16 -2.721 -8.225 6.707 120 HA TYR 16 HA TYR 16 -1.094 -9.380 4.684 121 HD1 TYR 16 2HD TYR 16 -2.728 -10.761 4.922 122 HD2 TYR 16 1HD TYR 16 -5.327 -7.655 3.590 123 HE1 TYR 16 2HE TYR 16 -4.635 -12.274 5.119 124 HE2 TYR 16 1HE TYR 16 -7.241 -9.175 3.795 125 HH TYR 16 HH TYR 16 -7.601 -11.696 3.749 126 HB2 TYR 16 2HB TYR 16 -3.084 -7.118 4.397 127 HB3 TYR 16 1HB TYR 16 -2.413 -8.074 3.086 128 H VAL 17 H VAL 17 -0.879 -6.436 6.489 129 HA VAL 17 HA VAL 17 0.894 -5.144 4.613 130 HB VAL 17 HB VAL 17 -0.068 -4.446 7.363 131 HG11 VAL 17 1HG1 VAL 17 2.579 -3.766 6.337 132 HG12 VAL 17 2HG1 VAL 17 1.899 -3.524 7.949 133 HG13 VAL 17 3HG1 VAL 17 1.591 -2.353 6.676 134 HG21 VAL 17 3HG2 VAL 17 -1.288 -3.769 5.332 135 HG22 VAL 17 1HG2 VAL 17 0.134 -2.853 4.832 136 HG23 VAL 17 2HG2 VAL 17 -0.725 -2.405 6.305 137 H ASN 18 H ASN 18 1.219 -6.831 7.729 138 HA ASN 18 HA ASN 18 4.041 -6.592 7.818 139 HB2 ASN 18 2HB ASN 18 2.417 -8.746 9.170 140 HB3 ASN 18 1HB ASN 18 3.966 -8.084 9.679 141 HD21 ASN 18 1HD2 ASN 18 3.296 -5.343 9.209 142 HD22 ASN 18 2HD2 ASN 18 2.167 -4.879 10.431 143 H ARG 19 H ARG 19 1.892 -8.855 6.252 144 HA ARG 19 HA ARG 19 3.875 -10.877 5.865 145 HE ARG 19 HE ARG 19 1.366 -15.424 5.631 146 HB2 ARG 19 2HB ARG 19 1.192 -10.901 5.790 147 HB3 ARG 19 1HB ARG 19 1.521 -10.750 4.070 148 HG2 ARG 19 2HG ARG 19 1.936 -12.909 3.946 149 HG3 ARG 19 1HG ARG 19 3.235 -12.742 5.124 150 HD2 ARG 19 2HD ARG 19 1.988 -13.557 6.806 151 HD3 ARG 19 1HD ARG 19 0.526 -12.744 6.248 152 HH11 ARG 19 1HH1 ARG 19 -0.596 -12.725 4.608 153 HH12 ARG 19 2HH1 ARG 19 -1.678 -13.704 3.676 154 HH21 ARG 19 1HH2 ARG 19 -0.058 -16.713 4.406 155 HH22 ARG 19 2HH2 ARG 19 -1.374 -15.967 3.562 156 H LEU 20 H LEU 20 3.138 -7.935 4.261 157 HA LEU 20 HA LEU 20 4.020 -8.670 1.656 158 HG LEU 20 HG LEU 20 1.621 -6.723 2.854 159 HB2 LEU 20 2HB LEU 20 3.836 -5.953 2.942 160 HB3 LEU 20 1HB LEU 20 4.102 -6.239 1.235 161 HD11 LEU 20 1HD1 LEU 20 1.867 -5.364 0.194 162 HD12 LEU 20 2HD1 LEU 20 2.231 -4.507 1.692 163 HD13 LEU 20 3HD1 LEU 20 0.617 -5.173 1.426 164 HD21 LEU 20 3HD2 LEU 20 2.306 -7.874 0.146 165 HD22 LEU 20 1HD2 LEU 20 0.651 -7.681 0.722 166 HD23 LEU 20 2HD2 LEU 20 1.766 -8.734 1.588 167 H CYS 21 H CYS 21 5.620 -6.979 4.356 168 HA CYS 21 HA CYS 21 8.013 -6.416 3.051 169 HG CYS 21 HG CYS 21 7.298 -4.260 5.192 170 HB2 CYS 21 2HB CYS 21 7.854 -7.189 5.970 171 HB3 CYS 21 1HB CYS 21 9.004 -6.106 5.202 172 H LYS 22 H LYS 22 6.839 -9.379 4.460 173 HA LYS 22 HA LYS 22 9.373 -10.741 4.136 174 HB2 LYS 22 2HB LYS 22 6.662 -11.870 4.829 175 HB3 LYS 22 1HB LYS 22 8.208 -12.693 4.991 176 HG2 LYS 22 2HG LYS 22 8.592 -11.778 6.983 177 HG3 LYS 22 1HG LYS 22 8.175 -10.162 6.412 178 HD2 LYS 22 2HD LYS 22 6.622 -10.693 8.124 179 HD3 LYS 22 1HD LYS 22 5.753 -10.851 6.594 180 HE2 LYS 22 2HE LYS 22 5.132 -12.739 7.826 181 HE3 LYS 22 1HE LYS 22 6.357 -13.322 6.701 182 HZ1 LYS 22 3HZ LYS 22 6.451 -13.101 9.596 183 HZ2 LYS 22 1HZ LYS 22 7.873 -12.678 8.784 184 HZ3 LYS 22 2HZ LYS 22 7.203 -14.215 8.570 185 H HIS 23 H HIS 23 6.552 -10.109 2.283 186 HA HIS 23 HA HIS 23 6.856 -12.362 0.514 187 HD1 HIS 23 1HD HIS 23 3.032 -12.783 0.334 188 HD2 HIS 23 2HD HIS 23 5.781 -11.666 -2.575 189 HE1 HIS 23 1HE HIS 23 2.408 -14.095 -1.719 190 HE2 HIS 23 2HE HIS 23 4.140 -13.469 -3.438 191 HB2 HIS 23 2HB HIS 23 4.660 -11.156 1.201 192 HB3 HIS 23 1HB HIS 23 5.100 -9.997 -0.049 193 H TRP 24 H TRP 24 6.906 -8.798 -0.028 194 HA TRP 24 HA TRP 24 8.314 -9.265 -2.532 195 HD1 TRP 24 HD TRP 24 4.735 -7.111 -1.211 196 HE1 TRP 24 1HE TRP 24 2.983 -7.837 -2.951 197 HE3 TRP 24 3HE TRP 24 7.874 -8.446 -5.020 198 HZ2 TRP 24 2HZ TRP 24 2.936 -8.842 -5.588 199 HZ3 TRP 24 3HZ TRP 24 6.894 -9.281 -7.117 200 HH2 TRP 24 HH TRP 24 4.476 -9.474 -7.393 201 HB2 TRP 24 2HB TRP 24 7.283 -6.738 -1.238 202 HB3 TRP 24 1HB TRP 24 8.077 -6.800 -2.809 203 H GLY 25 H GLY 25 9.205 -8.718 0.712 204 HA2 GLY 25 2HA GLY 25 11.486 -7.070 0.296 205 HA3 GLY 25 1HA GLY 25 11.178 -8.072 1.700 206 H HIS 26 H HIS 26 11.993 -8.524 -1.741 207 HA HIS 26 HA HIS 26 13.847 -10.651 -0.906 208 HD1 HIS 26 1HD HIS 26 12.171 -13.553 -2.499 209 HD2 HIS 26 2HD HIS 26 15.600 -11.602 -3.806 210 HE1 HIS 26 1HE HIS 26 13.803 -15.376 -3.079 211 HE2 HIS 26 2HE HIS 26 15.899 -14.170 -3.786 212 HB2 HIS 26 2HB HIS 26 11.872 -11.107 -2.535 213 HB3 HIS 26 1HB HIS 26 12.877 -10.288 -3.726 214 H LYS 27 H LYS 27 13.504 -7.663 -2.687 215 HA LYS 27 HA LYS 27 16.405 -7.387 -2.744 216 HB2 LYS 27 2HB LYS 27 16.059 -8.470 -4.853 217 HB3 LYS 27 1HB LYS 27 14.681 -7.450 -5.226 218 HG2 LYS 27 2HG LYS 27 17.161 -5.960 -4.805 219 HG3 LYS 27 1HG LYS 27 17.222 -7.096 -6.151 220 HD2 LYS 27 2HD LYS 27 15.834 -5.868 -7.404 221 HD3 LYS 27 1HD LYS 27 14.731 -5.593 -6.058 222 HE2 LYS 27 2HE LYS 27 15.407 -3.463 -6.248 223 HE3 LYS 27 1HE LYS 27 16.810 -4.012 -5.338 224 HZ1 LYS 27 3HZ LYS 27 17.565 -4.604 -7.821 225 HZ2 LYS 27 1HZ LYS 27 17.908 -3.126 -7.071 226 HZ3 LYS 27 2HZ LYS 27 16.596 -3.252 -8.130 227 H PHE 28 H PHE 28 13.934 -6.140 -1.507 228 HA PHE 28 HA PHE 28 14.648 -3.390 -2.173 229 HD1 PHE 28 2HD PHE 28 12.999 -1.391 -3.661 230 HD2 PHE 28 1HD PHE 28 12.283 -5.528 -4.365 231 HE1 PHE 28 2HE PHE 28 13.154 -1.005 -6.089 232 HE2 PHE 28 1HE PHE 28 12.439 -5.150 -6.790 233 HZ PHE 28 HZ PHE 28 12.877 -2.888 -7.654 234 HB2 PHE 28 2HB PHE 28 11.878 -4.555 -2.205 235 HB3 PHE 28 1HB PHE 28 12.145 -2.837 -1.913 236 H GLU 29 H GLU 29 13.959 -1.842 -0.540 237 HA GLU 29 HA GLU 29 14.437 -2.947 2.093 238 HB2 GLU 29 2HB GLU 29 14.300 -0.492 2.767 239 HB3 GLU 29 1HB GLU 29 15.602 -0.946 1.675 240 HG2 GLU 29 2HG GLU 29 13.165 -0.127 0.307 241 HG3 GLU 29 1HG GLU 29 13.872 1.127 1.324 242 H VAL 30 H VAL 30 12.741 -3.924 3.016 243 HA VAL 30 HA VAL 30 10.174 -2.486 3.022 244 HB VAL 30 HB VAL 30 9.405 -4.973 3.715 245 HG11 VAL 30 1HG1 VAL 30 8.972 -5.304 1.189 246 HG12 VAL 30 2HG1 VAL 30 9.640 -3.682 1.034 247 HG13 VAL 30 3HG1 VAL 30 8.208 -3.957 2.031 248 HG21 VAL 30 3HG2 VAL 30 11.798 -5.746 3.380 249 HG22 VAL 30 1HG2 VAL 30 11.514 -5.522 1.651 250 HG23 VAL 30 2HG2 VAL 30 10.536 -6.671 2.567 251 H GLU 31 H GLU 31 9.754 -1.560 4.915 252 HA GLU 31 HA GLU 31 10.894 -2.682 7.360 253 HB2 GLU 31 2HB GLU 31 10.108 -0.031 6.456 254 HB3 GLU 31 1HB GLU 31 9.427 -0.405 8.033 255 HG2 GLU 31 2HG GLU 31 11.461 -0.474 9.054 256 HG3 GLU 31 1HG GLU 31 12.304 -0.977 7.588 257 H LEU 32 H LEU 32 9.663 -3.462 9.036 258 HA LEU 32 HA LEU 32 6.763 -3.681 8.519 259 HG LEU 32 HG LEU 32 5.867 -6.343 8.417 260 HB2 LEU 32 2HB LEU 32 8.128 -5.802 8.206 261 HB3 LEU 32 1HB LEU 32 8.392 -5.792 9.939 262 HD11 LEU 32 1HD1 LEU 32 6.503 -7.827 10.844 263 HD12 LEU 32 2HD1 LEU 32 7.754 -7.930 9.607 264 HD13 LEU 32 3HD1 LEU 32 6.099 -8.407 9.230 265 HD21 LEU 32 3HD2 LEU 32 4.695 -6.298 10.656 266 HD22 LEU 32 1HD2 LEU 32 5.072 -4.721 9.965 267 HD23 LEU 32 2HD2 LEU 32 6.065 -5.376 11.266 268 H THR 33 H THR 33 5.775 -2.389 9.881 269 HA THR 33 HA THR 33 6.507 -2.553 12.752 270 HB THR 33 HB THR 33 5.394 -0.114 12.647 271 HG1 THR 33 1HG THR 33 5.091 -0.019 10.448 272 HG21 THR 33 3HG2 THR 33 7.811 0.757 12.102 273 HG22 THR 33 1HG2 THR 33 8.219 -0.948 12.293 274 HG23 THR 33 2HG2 THR 33 7.451 -0.072 13.617 275 HA PRO 34 HA PRO 34 2.222 -3.450 13.280 276 HB2 PRO 34 2HB PRO 34 1.607 -2.366 15.658 277 HB3 PRO 34 1HB PRO 34 2.720 -3.725 15.497 278 HG2 PRO 34 2HG PRO 34 3.321 -0.834 15.921 279 HG3 PRO 34 1HG PRO 34 4.105 -2.258 16.626 280 HD2 PRO 34 2HD PRO 34 5.091 -0.818 14.483 281 HD3 PRO 34 1HD PRO 34 5.510 -2.505 14.844 282 H GLU 35 H GLU 35 2.522 -1.347 11.542 283 HA GLU 35 HA GLU 35 0.046 0.070 11.944 284 HB2 GLU 35 2HB GLU 35 2.664 1.567 11.689 285 HB3 GLU 35 1HB GLU 35 1.075 2.304 11.537 286 HG2 GLU 35 2HG GLU 35 2.041 0.866 13.996 287 HG3 GLU 35 1HG GLU 35 2.172 2.604 13.746 288 H ARG 36 H ARG 36 2.913 -0.422 9.866 289 HA ARG 36 HA ARG 36 1.299 -0.888 7.604 290 HE ARG 36 HE ARG 36 2.260 2.892 10.035 291 HB2 ARG 36 2HB ARG 36 1.973 1.052 6.249 292 HB3 ARG 36 1HB ARG 36 1.015 1.530 7.642 293 HG2 ARG 36 2HG ARG 36 3.530 1.707 8.647 294 HG3 ARG 36 1HG ARG 36 3.792 2.151 6.959 295 HD2 ARG 36 2HD ARG 36 3.232 4.204 7.702 296 HD3 ARG 36 1HD ARG 36 1.592 3.599 7.479 297 HH11 ARG 36 1HH1 ARG 36 2.117 5.887 8.252 298 HH12 ARG 36 2HH1 ARG 36 1.746 6.845 9.645 299 HH21 ARG 36 1HH2 ARG 36 1.771 4.149 11.870 300 HH22 ARG 36 2HH2 ARG 36 1.549 5.859 11.700 301 H GLY 37 H GLY 37 2.582 -0.980 5.566 302 HA2 GLY 37 2HA GLY 37 5.248 -2.099 6.154 303 HA3 GLY 37 1HA GLY 37 4.234 -2.558 4.793 304 H PHE 38 H PHE 38 6.936 -0.751 5.556 305 HA PHE 38 HA PHE 38 6.440 1.293 3.510 306 HD1 PHE 38 2HD PHE 38 7.084 3.835 3.756 307 HD2 PHE 38 1HD PHE 38 10.665 1.739 4.748 308 HE1 PHE 38 2HE PHE 38 8.426 5.645 2.782 309 HE2 PHE 38 1HE PHE 38 11.999 3.543 3.756 310 HZ PHE 38 HZ PHE 38 10.881 5.500 2.765 311 HB2 PHE 38 2HB PHE 38 7.289 2.044 5.673 312 HB3 PHE 38 1HB PHE 38 8.651 0.947 5.548 313 H ILE 39 H ILE 39 7.204 1.048 1.523 314 HA ILE 39 HA ILE 39 9.616 -0.604 1.112 315 HB ILE 39 HB ILE 39 7.404 -0.803 -0.895 316 HG12 ILE 39 2HG1 ILE 39 7.554 -2.290 1.724 317 HG13 ILE 39 1HG1 ILE 39 6.161 -1.519 0.979 318 HG21 ILE 39 1HG2 ILE 39 8.822 -3.221 -0.556 319 HG22 ILE 39 2HG2 ILE 39 10.005 -1.916 -0.523 320 HG23 ILE 39 3HG2 ILE 39 8.912 -2.079 -1.895 321 HD11 ILE 39 3HD1 ILE 39 7.483 -3.988 -0.114 322 HD12 ILE 39 1HD1 ILE 39 5.952 -3.271 -0.619 323 HD13 ILE 39 2HD1 ILE 39 6.100 -3.999 0.980 324 H ASP 40 H ASP 40 10.992 1.015 0.445 325 HA ASP 40 HA ASP 40 9.973 2.897 -1.555 326 HB2 ASP 40 2HB ASP 40 12.238 4.071 -1.015 327 HB3 ASP 40 1HB ASP 40 10.894 4.205 0.112 328 H PHE 41 H PHE 41 10.443 2.611 -3.560 329 HA PHE 41 HA PHE 41 12.331 0.631 -4.446 330 HD1 PHE 41 2HD PHE 41 12.873 2.355 -7.667 331 HD2 PHE 41 1HD PHE 41 10.219 -0.796 -6.608 332 HE1 PHE 41 2HE PHE 41 13.634 1.064 -9.619 333 HE2 PHE 41 1HE PHE 41 10.970 -2.092 -8.559 334 HZ PHE 41 HZ PHE 41 12.680 -1.162 -10.068 335 HB2 PHE 41 2HB PHE 41 10.076 1.268 -5.512 336 HB3 PHE 41 1HB PHE 41 10.898 2.683 -6.144 337 H GLY 42 H GLY 42 12.521 3.828 -3.541 338 HA2 GLY 42 2HA GLY 42 14.849 4.686 -3.454 339 HA3 GLY 42 1HA GLY 42 14.943 4.294 -5.164 340 H ASP 43 H ASP 43 13.402 5.442 -6.603 341 HA ASP 43 HA ASP 43 13.181 8.241 -5.776 342 HB2 ASP 43 2HB ASP 43 12.683 7.094 -8.529 343 HB3 ASP 43 1HB ASP 43 12.990 8.775 -8.105 344 H SER 44 H SER 44 11.415 6.828 -4.433 345 HA SER 44 HA SER 44 8.977 7.975 -4.748 346 HG SER 44 HG SER 44 7.077 5.140 -5.614 347 HB2 SER 44 2HB SER 44 7.839 6.933 -6.387 348 HB3 SER 44 1HB SER 44 9.314 6.090 -6.818 349 H ASN 45 H ASN 45 7.151 6.105 -3.821 350 HA ASN 45 HA ASN 45 8.363 4.381 -1.868 351 HB2 ASN 45 2HB ASN 45 6.918 6.870 -0.925 352 HB3 ASN 45 1HB ASN 45 7.411 5.541 0.115 353 HD21 ASN 45 1HD2 ASN 45 9.450 5.467 0.860 354 HD22 ASN 45 2HD2 ASN 45 10.668 6.635 0.492 355 H CYS 46 H CYS 46 6.691 3.214 -0.565 356 HA CYS 46 HA CYS 46 3.944 3.561 -1.382 357 HG CYS 46 HG CYS 46 3.180 0.086 -2.867 358 HB2 CYS 46 2HB CYS 46 4.777 2.150 -3.180 359 HB3 CYS 46 1HB CYS 46 5.453 1.019 -2.016 360 H GLU 47 H GLU 47 3.234 3.783 0.653 361 HA GLU 47 HA GLU 47 4.029 1.795 2.655 362 HB2 GLU 47 2HB GLU 47 4.142 4.449 2.867 363 HB3 GLU 47 1HB GLU 47 2.468 4.244 3.359 364 HG2 GLU 47 2HG GLU 47 3.036 3.193 5.321 365 HG3 GLU 47 1HG GLU 47 4.581 2.610 4.696 366 H LEU 48 H LEU 48 2.386 0.860 4.014 367 HA LEU 48 HA LEU 48 -0.351 1.066 2.982 368 HG LEU 48 HG LEU 48 -1.142 -2.129 3.801 369 HB2 LEU 48 2HB LEU 48 0.690 -0.831 1.807 370 HB3 LEU 48 1HB LEU 48 1.093 -1.572 3.343 371 HD11 LEU 48 1HD1 LEU 48 -1.829 -0.067 1.747 372 HD12 LEU 48 2HD1 LEU 48 -2.424 -0.248 3.399 373 HD13 LEU 48 3HD1 LEU 48 -2.967 -1.356 2.141 374 HD21 LEU 48 3HD2 LEU 48 -0.390 -3.689 2.259 375 HD22 LEU 48 1HD2 LEU 48 -0.427 -2.538 0.925 376 HD23 LEU 48 2HD2 LEU 48 -1.935 -3.165 1.588 377 H LEU 49 H LEU 49 -1.451 1.749 4.677 378 HA LEU 49 HA LEU 49 -0.733 0.886 7.376 379 HG LEU 49 HG LEU 49 -2.064 1.762 9.149 380 HB2 LEU 49 2HB LEU 49 -1.534 3.264 6.709 381 HB3 LEU 49 1HB LEU 49 -3.138 2.551 6.709 382 HD11 LEU 49 1HD1 LEU 49 -1.550 4.215 9.979 383 HD12 LEU 49 2HD1 LEU 49 -0.997 4.405 8.315 384 HD13 LEU 49 3HD1 LEU 49 -0.282 3.165 9.347 385 HD21 LEU 49 3HD2 LEU 49 -3.704 3.282 10.093 386 HD22 LEU 49 1HD2 LEU 49 -4.372 2.466 8.679 387 HD23 LEU 49 2HD2 LEU 49 -3.827 4.139 8.556 388 H ALA 50 H ALA 50 -1.742 -0.695 8.486 389 HA ALA 50 HA ALA 50 -4.326 -1.627 7.487 390 HB1 ALA 50 3HB ALA 50 -1.920 -3.393 7.796 391 HB2 ALA 50 1HB ALA 50 -2.712 -2.928 6.291 392 HB3 ALA 50 2HB ALA 50 -3.557 -3.938 7.449 393 H HIS 51 H HIS 51 -5.659 -1.612 9.102 394 HA HIS 51 HA HIS 51 -4.747 -2.481 11.729 395 HD1 HIS 51 1HD HIS 51 -7.703 0.109 13.822 396 HD2 HIS 51 2HD HIS 51 -3.794 -1.244 13.393 397 HE1 HIS 51 1HE HIS 51 -6.646 0.369 16.088 398 HE2 HIS 51 2HE HIS 51 -4.310 -0.533 15.824 399 HB2 HIS 51 2HB HIS 51 -5.896 -0.064 11.093 400 HB3 HIS 51 1HB HIS 51 -7.296 -0.998 11.595 401 HA PRO 52 HA PRO 52 -7.347 -6.006 11.944 402 HB2 PRO 52 2HB PRO 52 -9.064 -4.550 13.915 403 HB3 PRO 52 1HB PRO 52 -8.389 -6.184 13.995 404 HG2 PRO 52 2HG PRO 52 -7.250 -4.217 15.348 405 HG3 PRO 52 1HG PRO 52 -6.252 -5.417 14.510 406 HD2 PRO 52 2HD PRO 52 -6.849 -2.594 13.758 407 HD3 PRO 52 1HD PRO 52 -5.367 -3.533 13.507 408 H ASP 53 H ASP 53 -8.944 -2.941 11.282 409 HA ASP 53 HA ASP 53 -10.887 -4.446 9.713 410 HB2 ASP 53 2HB ASP 53 -11.741 -3.722 12.078 411 HB3 ASP 53 1HB ASP 53 -11.911 -2.141 11.321 412 H HIS 54 H HIS 54 -8.633 -2.056 9.605 413 HA HIS 54 HA HIS 54 -9.907 -1.049 7.207 414 HD1 HIS 54 1HD HIS 54 -7.219 2.063 8.792 415 HD2 HIS 54 2HD HIS 54 -9.866 0.319 11.476 416 HE1 HIS 54 1HE HIS 54 -6.299 2.580 11.072 417 HE2 HIS 54 2HE HIS 54 -8.004 1.652 12.677 418 HB2 HIS 54 2HB HIS 54 -9.431 1.321 7.730 419 HB3 HIS 54 1HB HIS 54 -10.640 0.601 8.777 420 H VAL 55 H VAL 55 -8.439 0.087 5.721 421 HA VAL 55 HA VAL 55 -5.607 -0.280 6.307 422 HB VAL 55 HB VAL 55 -6.763 -2.243 4.984 423 HG11 VAL 55 1HG1 VAL 55 -7.037 -2.044 2.722 424 HG12 VAL 55 2HG1 VAL 55 -5.916 -0.688 2.595 425 HG13 VAL 55 3HG1 VAL 55 -7.534 -0.437 3.249 426 HG21 VAL 55 3HG2 VAL 55 -4.133 -1.102 4.073 427 HG22 VAL 55 1HG2 VAL 55 -4.655 -2.784 3.959 428 HG23 VAL 55 2HG2 VAL 55 -4.375 -2.054 5.539 429 H LEU 56 H LEU 56 -4.307 1.226 5.402 430 HA LEU 56 HA LEU 56 -5.559 3.207 3.613 431 HG LEU 56 HG LEU 56 -6.314 4.815 5.534 432 HB2 LEU 56 2HB LEU 56 -4.297 3.564 6.181 433 HB3 LEU 56 1HB LEU 56 -3.371 4.411 4.966 434 HD11 LEU 56 1HD1 LEU 56 -4.562 5.555 7.267 435 HD12 LEU 56 2HD1 LEU 56 -5.773 6.721 6.734 436 HD13 LEU 56 3HD1 LEU 56 -4.137 6.793 6.083 437 HD21 LEU 56 3HD2 LEU 56 -5.692 6.985 4.183 438 HD22 LEU 56 1HD2 LEU 56 -6.151 5.505 3.343 439 HD23 LEU 56 2HD2 LEU 56 -4.449 5.945 3.493 440 H MET 57 H MET 57 -4.295 4.048 1.948 441 HA MET 57 HA MET 57 -1.704 2.730 1.531 442 HB2 MET 57 2HB MET 57 -3.588 3.281 -0.736 443 HB3 MET 57 1HB MET 57 -2.215 2.181 -0.689 444 HG2 MET 57 2HG MET 57 -3.420 0.720 0.853 445 HG3 MET 57 1HG MET 57 -4.793 1.828 0.823 446 HE1 MET 57 3HE MET 57 -6.765 1.604 -0.932 447 HE2 MET 57 1HE MET 57 -6.539 0.259 0.185 448 HE3 MET 57 2HE MET 57 -6.902 -0.056 -1.512 449 H ILE 58 H ILE 58 -0.148 4.261 1.524 450 HA ILE 58 HA ILE 58 -0.736 6.793 0.149 451 HB ILE 58 HB ILE 58 1.074 6.463 2.546 452 HG12 ILE 58 2HG1 ILE 58 -1.783 6.716 2.433 453 HG13 ILE 58 1HG1 ILE 58 -0.749 6.589 3.842 454 HG21 ILE 58 1HG2 ILE 58 1.161 8.893 2.543 455 HG22 ILE 58 2HG2 ILE 58 0.112 8.938 1.124 456 HG23 ILE 58 3HG2 ILE 58 1.729 8.238 1.008 457 HD11 ILE 58 3HD1 ILE 58 -0.667 8.871 4.154 458 HD12 ILE 58 1HD1 ILE 58 -2.317 8.625 3.583 459 HD13 ILE 58 2HD1 ILE 58 -1.080 9.225 2.477 460 H LEU 59 H LEU 59 0.783 7.518 -1.272 461 HA LEU 59 HA LEU 59 3.279 5.964 -1.467 462 HG LEU 59 HG LEU 59 1.447 6.883 -5.217 463 HB2 LEU 59 2HB LEU 59 3.148 5.851 -3.787 464 HB3 LEU 59 1HB LEU 59 1.519 5.499 -3.255 465 HD11 LEU 59 1HD1 LEU 59 -0.287 7.224 -3.569 466 HD12 LEU 59 2HD1 LEU 59 0.106 8.738 -4.386 467 HD13 LEU 59 3HD1 LEU 59 0.706 8.435 -2.757 468 HD21 LEU 59 3HD2 LEU 59 2.702 8.687 -5.635 469 HD22 LEU 59 1HD2 LEU 59 3.744 8.042 -4.372 470 HD23 LEU 59 2HD2 LEU 59 2.566 9.297 -3.993 471 H ASN 60 H ASN 60 5.139 7.062 -2.025 472 HA ASN 60 HA ASN 60 4.907 9.999 -2.196 473 HB2 ASN 60 2HB ASN 60 6.139 8.656 -0.121 474 HB3 ASN 60 1HB ASN 60 7.483 8.972 -1.212 475 HD21 ASN 60 1HD2 ASN 60 6.501 11.410 -2.274 476 HD22 ASN 60 2HD2 ASN 60 6.607 12.601 -1.027 477 H SER 61 H SER 61 5.137 10.304 -4.342 478 HA SER 61 HA SER 61 7.625 9.244 -5.550 479 HG SER 61 HG SER 61 5.255 6.862 -6.310 480 HB2 SER 61 2HB SER 61 5.222 9.243 -7.284 481 HB3 SER 61 1HB SER 61 6.604 8.154 -7.278 482 HA PRO 62 HA PRO 62 8.066 13.398 -7.067 483 HB2 PRO 62 2HB PRO 62 9.990 12.896 -8.895 484 HB3 PRO 62 1HB PRO 62 10.278 12.941 -7.154 485 HG2 PRO 62 2HG PRO 62 9.816 10.553 -8.909 486 HG3 PRO 62 1HG PRO 62 11.082 10.811 -7.690 487 HD2 PRO 62 2HD PRO 62 8.897 9.392 -7.132 488 HD3 PRO 62 1HD PRO 62 9.616 10.471 -5.925 489 H ASP 63 H ASP 63 6.806 10.790 -8.913 490 HA ASP 63 HA ASP 63 5.764 12.735 -10.806 491 HB2 ASP 63 2HB ASP 63 7.591 10.486 -11.570 492 HB3 ASP 63 1HB ASP 63 6.349 11.026 -12.696 493 H GLU 64 H GLU 64 3.843 12.009 -11.913 494 HA GLU 64 HA GLU 64 2.192 10.378 -10.287 495 HB2 GLU 64 2HB GLU 64 1.820 11.559 -13.011 496 HB3 GLU 64 1HB GLU 64 0.762 10.245 -12.527 497 HG2 GLU 64 2HG GLU 64 -0.458 11.980 -11.751 498 HG3 GLU 64 1HG GLU 64 0.540 11.676 -10.325 499 H ASP 65 H ASP 65 3.933 9.494 -13.297 500 HA ASP 65 HA ASP 65 2.918 6.977 -13.734 501 HB2 ASP 65 2HB ASP 65 4.770 8.147 -15.014 502 HB3 ASP 65 1HB ASP 65 5.874 7.591 -13.758 503 H SER 66 H SER 66 5.623 7.821 -11.618 504 HA SER 66 HA SER 66 5.915 5.318 -10.363 505 HG SER 66 HG SER 66 8.248 5.971 -10.337 506 HB2 SER 66 2HB SER 66 6.607 8.121 -9.473 507 HB3 SER 66 1HB SER 66 7.039 6.684 -8.545 508 H LEU 67 H LEU 67 4.440 8.301 -9.269 509 HA LEU 67 HA LEU 67 3.272 7.715 -6.924 510 HG LEU 67 HG LEU 67 1.132 9.545 -6.508 511 HB2 LEU 67 2HB LEU 67 3.154 9.893 -7.841 512 HB3 LEU 67 1HB LEU 67 2.313 9.337 -9.257 513 HD11 LEU 67 1HD1 LEU 67 0.976 11.693 -6.976 514 HD12 LEU 67 2HD1 LEU 67 -0.215 11.238 -8.193 515 HD13 LEU 67 3HD1 LEU 67 1.476 11.441 -8.647 516 HD21 LEU 67 3HD2 LEU 67 0.044 8.551 -9.096 517 HD22 LEU 67 1HD2 LEU 67 -1.019 9.362 -7.949 518 HD23 LEU 67 2HD2 LEU 67 -0.166 7.898 -7.471 519 H ALA 68 H ALA 68 1.515 7.264 -10.012 520 HA ALA 68 HA ALA 68 -0.619 5.860 -8.789 521 HB1 ALA 68 3HB ALA 68 -1.225 6.739 -10.831 522 HB2 ALA 68 1HB ALA 68 -0.936 5.056 -11.272 523 HB3 ALA 68 2HB ALA 68 0.291 6.279 -11.607 524 H HIS 69 H HIS 69 2.418 4.842 -10.258 525 HA HIS 69 HA HIS 69 1.983 2.115 -10.501 526 HD1 HIS 69 1HD HIS 69 3.128 0.222 -9.762 527 HD2 HIS 69 2HD HIS 69 6.476 1.846 -11.612 528 HE1 HIS 69 1HE HIS 69 4.527 -1.744 -10.465 529 HE2 HIS 69 2HE HIS 69 6.505 -0.741 -11.660 530 HB2 HIS 69 2HB HIS 69 4.047 3.431 -11.196 531 HB3 HIS 69 1HB HIS 69 4.577 3.311 -9.522 532 H MET 70 H MET 70 2.866 4.032 -7.684 533 HA MET 70 HA MET 70 3.131 1.761 -5.943 534 HB2 MET 70 2HB MET 70 2.690 4.561 -4.980 535 HB3 MET 70 1HB MET 70 3.667 3.300 -4.254 536 HG2 MET 70 2HG MET 70 4.299 5.015 -6.621 537 HG3 MET 70 1HG MET 70 5.174 4.871 -5.103 538 HE1 MET 70 3HE MET 70 7.605 4.044 -7.572 539 HE2 MET 70 1HE MET 70 6.175 5.051 -7.802 540 HE3 MET 70 2HE MET 70 6.401 3.602 -8.783 541 H GLN 71 H GLN 71 0.743 4.451 -6.027 542 HA GLN 71 HA GLN 71 -0.969 3.371 -4.133 543 HB2 GLN 71 2HB GLN 71 -2.792 4.722 -5.466 544 HB3 GLN 71 1HB GLN 71 -1.581 5.534 -4.493 545 HG2 GLN 71 2HG GLN 71 -0.777 6.599 -6.264 546 HG3 GLN 71 1HG GLN 71 -0.724 5.125 -7.232 547 HE21 GLN 71 1HE2 GLN 71 -2.170 8.095 -6.843 548 HE22 GLN 71 2HE2 GLN 71 -3.541 7.863 -7.868 549 H ASN 72 H ASN 72 -0.668 2.563 -7.510 550 HA ASN 72 HA ASN 72 -3.173 1.126 -7.564 551 HB2 ASN 72 2HB ASN 72 -1.833 2.269 -9.543 552 HB3 ASN 72 1HB ASN 72 -1.074 0.683 -9.637 553 HD21 ASN 72 1HD2 ASN 72 -2.213 -1.028 -10.413 554 HD22 ASN 72 2HD2 ASN 72 -3.798 -0.896 -11.088 555 H VAL 73 H VAL 73 0.279 0.263 -7.549 556 HA VAL 73 HA VAL 73 0.151 -2.462 -7.731 557 HB VAL 73 HB VAL 73 1.994 -0.645 -6.223 558 HG11 VAL 73 1HG1 VAL 73 2.069 -3.657 -6.131 559 HG12 VAL 73 2HG1 VAL 73 1.950 -2.543 -4.768 560 HG13 VAL 73 3HG1 VAL 73 3.435 -2.619 -5.717 561 HG21 VAL 73 3HG2 VAL 73 1.884 -1.362 -8.812 562 HG22 VAL 73 1HG2 VAL 73 2.956 -2.618 -8.190 563 HG23 VAL 73 2HG2 VAL 73 3.377 -0.918 -7.984 564 H VAL 74 H VAL 74 -0.444 -0.489 -4.853 565 HA VAL 74 HA VAL 74 -0.762 -2.702 -3.085 566 HB VAL 74 HB VAL 74 -1.745 0.138 -2.816 567 HG11 VAL 74 1HG1 VAL 74 -2.998 -1.512 -1.413 568 HG12 VAL 74 2HG1 VAL 74 -2.128 -0.287 -0.493 569 HG13 VAL 74 3HG1 VAL 74 -1.473 -1.917 -0.628 570 HG21 VAL 74 3HG2 VAL 74 0.294 -0.339 -0.983 571 HG22 VAL 74 1HG2 VAL 74 0.405 0.614 -2.461 572 HG23 VAL 74 2HG2 VAL 74 0.850 -1.093 -2.475 573 H ALA 75 H ALA 75 -3.100 -0.624 -4.828 574 HA ALA 75 HA ALA 75 -5.477 -1.598 -3.875 575 HB1 ALA 75 3HB ALA 75 -6.411 -1.129 -6.149 576 HB2 ALA 75 1HB ALA 75 -4.766 -0.821 -6.702 577 HB3 ALA 75 2HB ALA 75 -5.483 0.199 -5.455 578 H ASP 76 H ASP 76 -3.148 -3.142 -5.909 579 HA ASP 76 HA ASP 76 -4.859 -5.290 -6.760 580 HB2 ASP 76 2HB ASP 76 -2.514 -4.309 -7.699 581 HB3 ASP 76 1HB ASP 76 -1.929 -5.699 -6.790 582 H HIS 77 H HIS 77 -2.370 -4.855 -4.268 583 HA HIS 77 HA HIS 77 -2.250 -7.506 -3.381 584 HD1 HIS 77 1HD HIS 77 -0.719 -6.307 -4.801 585 HD2 HIS 77 2HD HIS 77 1.083 -4.596 -1.470 586 HE1 HIS 77 1HE HIS 77 1.527 -5.501 -5.591 587 HE2 HIS 77 2HE HIS 77 2.558 -4.383 -3.583 588 HB2 HIS 77 2HB HIS 77 -1.880 -5.046 -1.657 589 HB3 HIS 77 1HB HIS 77 -1.232 -6.651 -1.365 590 H LEU 78 H LEU 78 -4.417 -4.864 -2.387 591 HA LEU 78 HA LEU 78 -5.689 -6.264 -0.304 592 HG LEU 78 HG LEU 78 -4.990 -3.058 -0.641 593 HB2 LEU 78 2HB LEU 78 -6.611 -3.989 -2.060 594 HB3 LEU 78 1HB LEU 78 -7.562 -4.608 -0.726 595 HD11 LEU 78 1HD1 LEU 78 -6.207 -1.611 0.798 596 HD12 LEU 78 2HD1 LEU 78 -7.544 -2.754 0.918 597 HD13 LEU 78 3HD1 LEU 78 -7.218 -1.936 -0.610 598 HD21 LEU 78 3HD2 LEU 78 -6.072 -4.943 1.429 599 HD22 LEU 78 1HD2 LEU 78 -5.137 -3.521 1.889 600 HD23 LEU 78 2HD2 LEU 78 -4.414 -4.755 0.858 601 H GLN 79 H GLN 79 -6.032 -6.293 -3.764 602 HA GLN 79 HA GLN 79 -8.591 -7.563 -3.807 603 HB2 GLN 79 2HB GLN 79 -7.875 -6.257 -5.711 604 HB3 GLN 79 1HB GLN 79 -6.472 -7.287 -5.943 605 HG2 GLN 79 2HG GLN 79 -7.701 -8.996 -6.850 606 HG3 GLN 79 1HG GLN 79 -9.184 -8.507 -6.032 607 HE21 GLN 79 1HE2 GLN 79 -9.801 -9.015 -8.391 608 HE22 GLN 79 2HE2 GLN 79 -9.858 -7.651 -9.451 609 H ARG 80 H ARG 80 -5.244 -8.760 -4.088 610 HA ARG 80 HA ARG 80 -5.869 -11.416 -4.676 611 HE ARG 80 HE ARG 80 -0.582 -13.476 -2.862 612 HB2 ARG 80 2HB ARG 80 -3.643 -10.839 -5.022 613 HB3 ARG 80 1HB ARG 80 -3.511 -10.009 -3.480 614 HG2 ARG 80 2HG ARG 80 -3.069 -11.920 -2.327 615 HG3 ARG 80 1HG ARG 80 -3.955 -12.945 -3.459 616 HD2 ARG 80 2HD ARG 80 -2.179 -12.662 -5.110 617 HD3 ARG 80 1HD ARG 80 -1.301 -11.617 -3.994 618 HH11 ARG 80 1HH1 ARG 80 -3.182 -14.383 -5.006 619 HH12 ARG 80 2HH1 ARG 80 -2.962 -16.082 -4.756 620 HH21 ARG 80 1HH2 ARG 80 -0.292 -15.710 -2.531 621 HH22 ARG 80 2HH2 ARG 80 -1.322 -16.836 -3.350 622 H MET 81 H MET 81 -5.665 -9.678 -1.620 623 HA MET 81 HA MET 81 -5.987 -12.083 -0.061 624 HB2 MET 81 2HB MET 81 -6.059 -10.574 1.878 625 HB3 MET 81 1HB MET 81 -4.664 -10.298 0.856 626 HG2 MET 81 2HG MET 81 -5.419 -8.180 1.507 627 HG3 MET 81 1HG MET 81 -5.922 -8.373 -0.168 628 HE1 MET 81 3HE MET 81 -8.120 -6.089 1.953 629 HE2 MET 81 1HE MET 81 -6.494 -6.643 2.355 630 HE3 MET 81 2HE MET 81 -7.862 -7.125 3.358 631 H ALA 82 H ALA 82 -8.099 -9.964 -1.669 632 HA ALA 82 HA ALA 82 -10.377 -11.139 -0.209 633 HB1 ALA 82 3HB ALA 82 -10.450 -8.981 0.629 634 HB2 ALA 82 1HB ALA 82 -11.538 -8.883 -0.755 635 HB3 ALA 82 2HB ALA 82 -9.893 -8.262 -0.883 636 H ASN 83 H ASN 83 -10.974 -12.608 -1.728 637 HA ASN 83 HA ASN 83 -11.186 -11.818 -4.520 638 HB2 ASN 83 2HB ASN 83 -11.138 -14.370 -3.028 639 HB3 ASN 83 1HB ASN 83 -12.151 -14.351 -4.468 640 HD21 ASN 83 1HD2 ASN 83 -10.890 -15.684 -5.681 641 HD22 ASN 83 2HD2 ASN 83 -9.315 -15.256 -6.245 642 H SER 84 H SER 84 -12.957 -10.824 -5.195 643 HA SER 84 HA SER 84 -15.520 -11.888 -5.071 644 HG SER 84 HG SER 84 -17.377 -10.605 -2.575 645 HB2 SER 84 2HB SER 84 -14.923 -10.886 -2.597 646 HB3 SER 84 1HB SER 84 -15.700 -9.497 -3.357 647 H GLU 85 H GLU 85 -13.596 -8.945 -5.161 648 HA GLU 85 HA GLU 85 -14.742 -8.181 -7.680 649 HB2 GLU 85 2HB GLU 85 -15.664 -6.054 -6.999 650 HB3 GLU 85 1HB GLU 85 -16.434 -7.329 -6.064 651 HG2 GLU 85 2HG GLU 85 -14.094 -6.303 -4.714 652 HG3 GLU 85 1HG GLU 85 -15.241 -5.017 -5.091 653 H SER 86 H SER 86 -13.741 -6.069 -8.456 654 HA SER 86 HA SER 86 -10.924 -6.188 -7.984 655 HG SER 86 HG SER 86 -10.271 -4.162 -10.564 656 HB2 SER 86 2HB SER 86 -11.788 -5.608 -10.199 657 HB3 SER 86 1HB SER 86 -12.574 -4.176 -9.537 658 H LEU 87 H LEU 87 -11.258 -5.865 -5.636 659 HA LEU 87 HA LEU 87 -11.636 -4.518 -3.746 660 HG LEU 87 HG LEU 87 -8.187 -4.622 -2.915 661 HB2 LEU 87 2HB LEU 87 -9.058 -4.307 -4.979 662 HB3 LEU 87 1HB LEU 87 -9.463 -2.768 -4.244 663 HD11 LEU 87 1HD1 LEU 87 -9.321 -3.706 -0.817 664 HD12 LEU 87 2HD1 LEU 87 -10.327 -2.774 -1.927 665 HD13 LEU 87 3HD1 LEU 87 -8.577 -2.547 -1.918 666 HD21 LEU 87 3HD2 LEU 87 -9.545 -6.024 -1.546 667 HD22 LEU 87 1HD2 LEU 87 -9.980 -6.330 -3.225 668 HD23 LEU 87 2HD2 LEU 87 -11.025 -5.335 -2.210 669 H GLU 88 H GLU 88 -13.254 -3.115 -3.476 670 HA GLU 88 HA GLU 88 -13.557 -0.799 -5.137 671 HB2 GLU 88 2HB GLU 88 -15.476 -1.912 -3.992 672 HB3 GLU 88 1HB GLU 88 -14.809 -1.407 -2.445 673 HG2 GLU 88 2HG GLU 88 -15.148 0.793 -4.323 674 HG3 GLU 88 1HG GLU 88 -16.656 -0.033 -3.930 675 H ILE 89 H ILE 89 -11.771 0.503 -5.030 676 HA ILE 89 HA ILE 89 -11.206 1.669 -2.406 677 HB ILE 89 HB ILE 89 -8.882 1.516 -2.596 678 HG12 ILE 89 2HG1 ILE 89 -8.877 2.226 -5.076 679 HG13 ILE 89 1HG1 ILE 89 -7.605 1.147 -4.532 680 HG21 ILE 89 1HG2 ILE 89 -10.100 -0.991 -3.690 681 HG22 ILE 89 2HG2 ILE 89 -9.693 -0.614 -2.017 682 HG23 ILE 89 3HG2 ILE 89 -8.411 -0.871 -3.201 683 HD11 ILE 89 3HD1 ILE 89 -10.084 0.332 -6.025 684 HD12 ILE 89 1HD1 ILE 89 -8.813 -0.755 -5.460 685 HD13 ILE 89 2HD1 ILE 89 -8.455 0.462 -6.687 686 H ALA 90 H ALA 90 -11.202 3.899 -2.409 687 HA ALA 90 HA ALA 90 -11.362 5.172 -5.044 688 HB1 ALA 90 3HB ALA 90 -12.331 7.056 -4.009 689 HB2 ALA 90 1HB ALA 90 -11.793 6.561 -2.406 690 HB3 ALA 90 2HB ALA 90 -13.078 5.666 -3.225 691 H TRP 91 H TRP 91 -9.490 5.735 -5.865 692 HA TRP 91 HA TRP 91 -7.284 6.497 -4.120 693 HD1 TRP 91 HD TRP 91 -8.440 4.025 -7.653 694 HE1 TRP 91 1HE TRP 91 -9.159 4.832 -9.988 695 HE3 TRP 91 3HE TRP 91 -6.337 8.684 -7.584 696 HZ2 TRP 91 2HZ TRP 91 -8.873 7.139 -11.590 697 HZ3 TRP 91 3HZ TRP 91 -6.606 10.129 -9.557 698 HH2 TRP 91 HH TRP 91 -7.848 9.370 -11.518 699 HB2 TRP 91 2HB TRP 91 -5.932 6.437 -6.209 700 HB3 TRP 91 1HB TRP 91 -6.749 4.914 -5.869 701 H GLN 92 H GLN 92 -6.513 8.507 -3.916 702 HA GLN 92 HA GLN 92 -8.019 10.660 -5.162 703 HB2 GLN 92 2HB GLN 92 -5.903 10.639 -3.005 704 HB3 GLN 92 1HB GLN 92 -6.635 12.109 -3.632 705 HG2 GLN 92 2HG GLN 92 -8.700 11.633 -2.700 706 HG3 GLN 92 1HG GLN 92 -8.345 9.914 -2.545 707 HE21 GLN 92 1HE2 GLN 92 -6.422 12.712 -1.574 708 HE22 GLN 92 2HE2 GLN 92 -6.385 12.327 0.110 709 HA PRO 93 HA PRO 93 -5.325 11.831 -8.427 710 HB2 PRO 93 2HB PRO 93 -5.159 14.473 -7.060 711 HB3 PRO 93 1HB PRO 93 -5.506 14.108 -8.754 712 HG2 PRO 93 2HG PRO 93 -7.467 14.785 -7.078 713 HG3 PRO 93 1HG PRO 93 -7.712 13.545 -8.321 714 HD2 PRO 93 2HD PRO 93 -7.380 13.244 -5.385 715 HD3 PRO 93 1HD PRO 93 -8.279 12.232 -6.531 716 H ALA 94 H ALA 94 -4.388 12.937 -5.189 717 HA ALA 94 HA ALA 94 -2.375 12.401 -4.114 718 HB1 ALA 94 3HB ALA 94 -0.528 11.500 -5.161 719 HB2 ALA 94 1HB ALA 94 -0.856 12.339 -6.676 720 HB3 ALA 94 2HB ALA 94 -1.826 10.942 -6.218 721 H GLU 95 H GLU 95 -3.544 14.893 -4.708 722 HA GLU 95 HA GLU 95 -1.130 16.571 -4.831 723 HB2 GLU 95 2HB GLU 95 -2.756 16.585 -6.896 724 HB3 GLU 95 1HB GLU 95 -3.742 17.608 -5.861 725 HG2 GLU 95 2HG GLU 95 -2.251 19.337 -5.908 726 HG3 GLU 95 1HG GLU 95 -0.868 18.282 -6.189 727 H SER 96 H SER 96 -4.528 16.387 -3.818 728 HA SER 96 HA SER 96 -5.625 17.213 -2.005 729 HG SER 96 HG SER 96 -3.773 15.177 -1.189 730 HB2 SER 96 2HB SER 96 -3.163 17.857 -0.490 731 HB3 SER 96 1HB SER 96 -4.578 16.925 -0.003 Start of MODEL 10 1 HA MET 1 HA MET 1 6.858 13.314 -5.117 2 HB2 MET 1 2HB MET 1 7.473 13.573 -2.796 3 HB3 MET 1 1HB MET 1 8.783 14.144 -3.823 4 HG2 MET 1 2HG MET 1 6.958 16.277 -3.107 5 HG3 MET 1 1HG MET 1 7.634 15.480 -1.692 6 HE1 MET 1 3HE MET 1 7.738 18.382 -3.009 7 HE2 MET 1 1HE MET 1 8.531 18.169 -4.570 8 HE3 MET 1 2HE MET 1 9.389 18.957 -3.246 9 H PHE 2 H PHE 2 4.765 13.313 -5.648 10 HA PHE 2 HA PHE 2 2.916 15.098 -4.233 11 HD1 PHE 2 1HD PHE 2 3.398 16.496 -6.691 12 HD2 PHE 2 2HD PHE 2 2.947 12.499 -8.090 13 HE1 PHE 2 1HE PHE 2 4.732 17.045 -8.682 14 HE2 PHE 2 2HE PHE 2 4.276 13.045 -10.082 15 HZ PHE 2 HZ PHE 2 5.174 15.318 -10.382 16 HB2 PHE 2 2HB PHE 2 1.834 13.150 -6.185 17 HB3 PHE 2 1HB PHE 2 1.461 14.857 -5.980 18 H ARG 3 H ARG 3 0.765 13.891 -3.523 19 HA ARG 3 HA ARG 3 1.345 11.172 -2.692 20 HE ARG 3 HE ARG 3 4.499 10.690 1.444 21 HB2 ARG 3 2HB ARG 3 1.859 13.276 -0.902 22 HB3 ARG 3 1HB ARG 3 0.366 12.526 -0.347 23 HG2 ARG 3 2HG ARG 3 1.671 11.049 0.669 24 HG3 ARG 3 1HG ARG 3 1.954 10.370 -0.920 25 HD2 ARG 3 2HD ARG 3 4.101 10.913 -0.803 26 HD3 ARG 3 1HD ARG 3 3.689 12.605 -0.542 27 HH11 ARG 3 1HH1 ARG 3 2.799 13.685 0.876 28 HH12 ARG 3 2HH1 ARG 3 3.011 14.258 2.495 29 HH21 ARG 3 1HH2 ARG 3 4.781 11.443 3.575 30 HH22 ARG 3 2HH2 ARG 3 4.138 12.986 4.027 31 H SER 4 H SER 4 -0.357 9.941 -2.869 32 HA SER 4 HA SER 4 -3.060 11.097 -2.747 33 HG SER 4 HG SER 4 -3.246 7.702 -3.894 34 HB2 SER 4 2HB SER 4 -3.075 10.300 -4.911 35 HB3 SER 4 1HB SER 4 -1.791 9.129 -4.595 36 H THR 5 H THR 5 -4.731 9.494 -1.944 37 HA THR 5 HA THR 5 -3.595 7.374 -0.315 38 HB THR 5 HB THR 5 -4.582 8.095 1.754 39 HG1 THR 5 1HG THR 5 -5.868 9.860 1.912 40 HG21 THR 5 3HG2 THR 5 -2.393 9.264 0.940 41 HG22 THR 5 1HG2 THR 5 -3.240 9.837 2.374 42 HG23 THR 5 2HG2 THR 5 -3.433 10.685 0.842 43 H SER 6 H SER 6 -4.759 5.596 -0.384 44 HA SER 6 HA SER 6 -7.579 5.811 -1.222 45 HG SER 6 HG SER 6 -8.090 3.069 -1.397 46 HB2 SER 6 2HB SER 6 -6.063 4.530 -2.737 47 HB3 SER 6 1HB SER 6 -5.756 3.402 -1.417 48 H HIS 7 H HIS 7 -9.169 5.061 0.081 49 HA HIS 7 HA HIS 7 -8.350 3.662 2.554 50 HD1 HIS 7 1HD HIS 7 -9.719 6.146 5.393 51 HD2 HIS 7 2HD HIS 7 -11.603 2.884 3.636 52 HE1 HIS 7 1HE HIS 7 -10.901 4.961 7.268 53 HE2 HIS 7 2HE HIS 7 -11.956 2.940 6.198 54 HB2 HIS 7 2HB HIS 7 -9.153 5.940 2.997 55 HB3 HIS 7 1HB HIS 7 -10.664 5.575 2.177 56 H VAL 8 H VAL 8 -9.286 1.746 3.023 57 HA VAL 8 HA VAL 8 -11.780 0.995 1.670 58 HB VAL 8 HB VAL 8 -9.572 -1.028 1.824 59 HG11 VAL 8 1HG1 VAL 8 -10.774 -2.109 0.058 60 HG12 VAL 8 2HG1 VAL 8 -11.838 -0.718 -0.139 61 HG13 VAL 8 3HG1 VAL 8 -11.919 -1.689 1.331 62 HG21 VAL 8 3HG2 VAL 8 -8.684 0.979 0.631 63 HG22 VAL 8 1HG2 VAL 8 -9.979 0.781 -0.551 64 HG23 VAL 8 2HG2 VAL 8 -8.763 -0.481 -0.354 65 H ARG 9 H ARG 9 -12.942 -0.750 2.731 66 HA ARG 9 HA ARG 9 -12.174 -0.977 5.559 67 HE ARG 9 HE ARG 9 -15.548 2.194 6.739 68 HB2 ARG 9 2HB ARG 9 -14.784 -1.025 4.149 69 HB3 ARG 9 1HB ARG 9 -14.622 -2.103 5.526 70 HG2 ARG 9 2HG ARG 9 -15.550 -0.082 6.326 71 HG3 ARG 9 1HG ARG 9 -13.872 -0.132 6.873 72 HD2 ARG 9 2HD ARG 9 -13.229 1.576 5.503 73 HD3 ARG 9 1HD ARG 9 -14.440 1.196 4.280 74 HH11 ARG 9 1HH1 ARG 9 -14.203 3.072 3.640 75 HH12 ARG 9 2HH1 ARG 9 -14.991 4.612 3.595 76 HH21 ARG 9 1HH2 ARG 9 -16.587 4.219 6.679 77 HH22 ARG 9 2HH2 ARG 9 -16.344 5.264 5.319 78 H THR 10 H THR 10 -10.861 -2.672 5.855 79 HA THR 10 HA THR 10 -11.737 -5.290 4.833 80 HB THR 10 HB THR 10 -9.517 -3.942 3.904 81 HG1 THR 10 1HG THR 10 -10.190 -6.686 3.952 82 HG21 THR 10 3HG2 THR 10 -8.518 -4.616 6.210 83 HG22 THR 10 1HG2 THR 10 -7.575 -4.804 4.726 84 HG23 THR 10 2HG2 THR 10 -8.375 -6.203 5.447 85 H GLU 11 H GLU 11 -10.982 -7.148 6.103 86 HA GLU 11 HA GLU 11 -10.568 -6.406 8.922 87 HB2 GLU 11 2HB GLU 11 -12.385 -8.173 7.701 88 HB3 GLU 11 1HB GLU 11 -11.233 -9.183 8.565 89 HG2 GLU 11 2HG GLU 11 -11.994 -6.957 10.193 90 HG3 GLU 11 1HG GLU 11 -13.430 -7.794 9.606 91 H SER 12 H SER 12 -8.993 -7.478 10.201 92 HA SER 12 HA SER 12 -6.945 -8.340 10.633 93 HG SER 12 HG SER 12 -5.862 -11.040 10.175 94 HB2 SER 12 2HB SER 12 -7.895 -10.468 10.232 95 HB3 SER 12 1HB SER 12 -7.888 -10.234 8.484 96 H ALA 13 H ALA 13 -7.249 -6.220 8.657 97 HA ALA 13 HA ALA 13 -5.601 -6.381 6.434 98 HB1 ALA 13 3HB ALA 13 -7.043 -4.447 7.140 99 HB2 ALA 13 1HB ALA 13 -5.470 -4.033 6.463 100 HB3 ALA 13 2HB ALA 13 -5.722 -3.991 8.200 101 H ALA 14 H ALA 14 -4.616 -5.407 9.700 102 HA ALA 14 HA ALA 14 -2.043 -4.645 9.317 103 HB1 ALA 14 3HB ALA 14 -1.556 -5.547 11.592 104 HB2 ALA 14 1HB ALA 14 -3.156 -6.291 11.566 105 HB3 ALA 14 2HB ALA 14 -2.997 -4.536 11.466 106 H ARG 15 H ARG 15 -3.138 -7.932 8.926 107 HA ARG 15 HA ARG 15 -0.487 -9.059 9.077 108 HE ARG 15 HE ARG 15 1.044 -13.318 8.501 109 HB2 ARG 15 2HB ARG 15 -2.795 -10.174 9.560 110 HB3 ARG 15 1HB ARG 15 -2.832 -10.433 7.826 111 HG2 ARG 15 2HG ARG 15 -1.323 -11.814 9.905 112 HG3 ARG 15 1HG ARG 15 -1.861 -12.370 8.326 113 HD2 ARG 15 2HD ARG 15 0.068 -11.619 7.262 114 HD3 ARG 15 1HD ARG 15 0.454 -10.478 8.547 115 HH11 ARG 15 1HH1 ARG 15 0.914 -10.377 10.383 116 HH12 ARG 15 2HH1 ARG 15 2.006 -10.959 11.592 117 HH21 ARG 15 1HH2 ARG 15 2.477 -14.081 10.094 118 HH22 ARG 15 2HH2 ARG 15 2.893 -13.059 11.430 119 H TYR 16 H TYR 16 -2.686 -8.093 6.506 120 HA TYR 16 HA TYR 16 -1.156 -9.269 4.411 121 HD1 TYR 16 1HD TYR 16 -2.797 -10.614 4.737 122 HD2 TYR 16 2HD TYR 16 -5.364 -7.515 3.322 123 HE1 TYR 16 1HE TYR 16 -4.708 -12.126 4.893 124 HE2 TYR 16 2HE TYR 16 -7.280 -9.035 3.486 125 HH TYR 16 HH TYR 16 -7.481 -11.575 5.197 126 HB2 TYR 16 2HB TYR 16 -3.130 -6.984 4.248 127 HB3 TYR 16 1HB TYR 16 -2.490 -7.878 2.880 128 H VAL 17 H VAL 17 -0.807 -6.349 6.223 129 HA VAL 17 HA VAL 17 0.914 -5.094 4.255 130 HB VAL 17 HB VAL 17 0.125 -4.367 7.069 131 HG11 VAL 17 1HG1 VAL 17 1.585 -2.223 6.264 132 HG12 VAL 17 2HG1 VAL 17 2.563 -3.553 5.647 133 HG13 VAL 17 3HG1 VAL 17 2.170 -3.465 7.367 134 HG21 VAL 17 3HG2 VAL 17 -0.061 -2.838 4.486 135 HG22 VAL 17 1HG2 VAL 17 -0.706 -2.348 6.052 136 HG23 VAL 17 2HG2 VAL 17 -1.375 -3.758 5.220 137 H ASN 18 H ASN 18 1.266 -6.731 7.385 138 HA ASN 18 HA ASN 18 4.093 -6.491 7.484 139 HB2 ASN 18 2HB ASN 18 2.462 -8.587 8.909 140 HB3 ASN 18 1HB ASN 18 3.996 -7.880 9.409 141 HD21 ASN 18 1HD2 ASN 18 2.098 -7.899 11.235 142 HD22 ASN 18 2HD2 ASN 18 1.413 -6.329 11.467 143 H ARG 19 H ARG 19 1.956 -8.878 6.048 144 HA ARG 19 HA ARG 19 3.932 -10.907 5.800 145 HE ARG 19 HE ARG 19 -0.225 -13.089 4.700 146 HB2 ARG 19 2HB ARG 19 1.285 -10.973 5.652 147 HB3 ARG 19 1HB ARG 19 1.616 -10.789 3.935 148 HG2 ARG 19 2HG ARG 19 2.009 -12.954 3.788 149 HG3 ARG 19 1HG ARG 19 3.353 -12.777 4.915 150 HD2 ARG 19 2HD ARG 19 2.028 -14.352 5.967 151 HD3 ARG 19 1HD ARG 19 1.530 -12.846 6.736 152 HH11 ARG 19 1HH1 ARG 19 0.787 -15.267 7.233 153 HH12 ARG 19 2HH1 ARG 19 -0.733 -16.092 7.303 154 HH21 ARG 19 1HH2 ARG 19 -2.226 -14.174 4.791 155 HH22 ARG 19 2HH2 ARG 19 -2.444 -15.472 5.917 156 H LEU 20 H LEU 20 3.297 -8.048 4.036 157 HA LEU 20 HA LEU 20 4.310 -8.940 1.515 158 HG LEU 20 HG LEU 20 1.848 -6.961 2.557 159 HB2 LEU 20 2HB LEU 20 4.057 -6.136 2.581 160 HB3 LEU 20 1HB LEU 20 4.329 -6.573 0.907 161 HD11 LEU 20 1HD1 LEU 20 0.817 -5.606 0.875 162 HD12 LEU 20 2HD1 LEU 20 2.269 -5.662 -0.126 163 HD13 LEU 20 3HD1 LEU 20 2.289 -4.794 1.409 164 HD21 LEU 20 3HD2 LEU 20 0.862 -8.094 0.582 165 HD22 LEU 20 1HD2 LEU 20 2.126 -9.045 1.359 166 HD23 LEU 20 2HD2 LEU 20 2.466 -8.181 -0.141 167 H CYS 21 H CYS 21 5.714 -7.071 4.199 168 HA CYS 21 HA CYS 21 8.166 -6.507 3.006 169 HG CYS 21 HG CYS 21 5.921 -5.706 5.652 170 HB2 CYS 21 2HB CYS 21 8.068 -7.198 5.925 171 HB3 CYS 21 1HB CYS 21 8.980 -5.935 5.114 172 H LYS 22 H LYS 22 6.992 -9.433 4.504 173 HA LYS 22 HA LYS 22 9.571 -10.744 4.358 174 HB2 LYS 22 2HB LYS 22 6.858 -11.913 4.973 175 HB3 LYS 22 1HB LYS 22 8.413 -12.687 5.242 176 HG2 LYS 22 2HG LYS 22 8.668 -11.692 7.213 177 HG3 LYS 22 1HG LYS 22 8.272 -10.108 6.547 178 HD2 LYS 22 2HD LYS 22 6.632 -10.577 8.198 179 HD3 LYS 22 1HD LYS 22 5.846 -10.809 6.634 180 HE2 LYS 22 2HE LYS 22 5.172 -12.648 7.904 181 HE3 LYS 22 1HE LYS 22 6.470 -13.269 6.884 182 HZ1 LYS 22 3HZ LYS 22 7.240 -12.237 9.497 183 HZ2 LYS 22 1HZ LYS 22 7.830 -13.573 8.643 184 HZ3 LYS 22 2HZ LYS 22 6.370 -13.686 9.489 185 H HIS 23 H HIS 23 6.818 -10.291 2.352 186 HA HIS 23 HA HIS 23 7.282 -12.613 0.707 187 HD1 HIS 23 1HD HIS 23 3.568 -13.270 0.251 188 HD2 HIS 23 2HD HIS 23 6.314 -11.834 -2.516 189 HE1 HIS 23 1HE HIS 23 3.114 -14.544 -1.870 190 HE2 HIS 23 2HE HIS 23 4.842 -13.717 -3.506 191 HB2 HIS 23 2HB HIS 23 5.008 -11.531 1.223 192 HB3 HIS 23 1HB HIS 23 5.459 -10.321 0.025 193 H TRP 24 H TRP 24 7.241 -9.084 0.043 194 HA TRP 24 HA TRP 24 8.812 -9.577 -2.368 195 HD1 TRP 24 HD TRP 24 9.874 -8.521 -3.967 196 HE1 TRP 24 1HE TRP 24 10.456 -6.756 -5.747 197 HE3 TRP 24 3HE TRP 24 6.647 -4.824 -2.530 198 HZ2 TRP 24 2HZ TRP 24 9.652 -4.143 -6.450 199 HZ3 TRP 24 3HZ TRP 24 6.616 -2.723 -3.811 200 HH2 TRP 24 HH TRP 24 8.089 -2.391 -5.730 201 HB2 TRP 24 2HB TRP 24 6.852 -8.051 -2.416 202 HB3 TRP 24 1HB TRP 24 7.698 -6.968 -1.318 203 H GLY 25 H GLY 25 9.478 -8.874 0.891 204 HA2 GLY 25 2HA GLY 25 11.651 -7.067 0.529 205 HA3 GLY 25 1HA GLY 25 11.333 -8.021 1.961 206 H HIS 26 H HIS 26 12.311 -8.657 -1.407 207 HA HIS 26 HA HIS 26 14.378 -10.466 -0.350 208 HD1 HIS 26 1HD HIS 26 14.569 -9.607 -4.375 209 HD2 HIS 26 2HD HIS 26 10.715 -10.796 -3.373 210 HE1 HIS 26 1HE HIS 26 13.106 -8.794 -6.251 211 HE2 HIS 26 2HE HIS 26 10.792 -9.603 -5.667 212 HB2 HIS 26 2HB HIS 26 14.282 -11.631 -2.510 213 HB3 HIS 26 1HB HIS 26 12.703 -11.612 -1.731 214 H LYS 27 H LYS 27 13.696 -7.699 -2.321 215 HA LYS 27 HA LYS 27 16.543 -7.111 -2.502 216 HB2 LYS 27 2HB LYS 27 16.244 -8.385 -4.532 217 HB3 LYS 27 1HB LYS 27 14.786 -7.497 -4.940 218 HG2 LYS 27 2HG LYS 27 17.093 -5.748 -4.653 219 HG3 LYS 27 1HG LYS 27 17.332 -6.998 -5.875 220 HD2 LYS 27 2HD LYS 27 14.770 -5.469 -5.827 221 HD3 LYS 27 1HD LYS 27 16.214 -4.716 -6.505 222 HE2 LYS 27 2HE LYS 27 16.150 -7.288 -7.589 223 HE3 LYS 27 1HE LYS 27 14.479 -6.725 -7.640 224 HZ1 LYS 27 3HZ LYS 27 16.190 -6.181 -9.548 225 HZ2 LYS 27 1HZ LYS 27 16.558 -4.876 -8.535 226 HZ3 LYS 27 2HZ LYS 27 14.979 -5.086 -9.106 227 H PHE 28 H PHE 28 14.113 -6.048 -1.194 228 HA PHE 28 HA PHE 28 14.341 -3.304 -2.166 229 HD1 PHE 28 2HD PHE 28 12.349 -5.587 -4.243 230 HD2 PHE 28 1HD PHE 28 11.962 -1.488 -3.152 231 HE1 PHE 28 2HE PHE 28 12.115 -4.982 -6.616 232 HE2 PHE 28 1HE PHE 28 11.719 -0.884 -5.515 233 HZ PHE 28 HZ PHE 28 11.798 -2.624 -7.256 234 HB2 PHE 28 2HB PHE 28 11.852 -4.924 -1.957 235 HB3 PHE 28 1HB PHE 28 11.767 -3.225 -1.507 236 H GLU 29 H GLU 29 14.069 -1.708 -0.588 237 HA GLU 29 HA GLU 29 14.631 -2.568 2.096 238 HB2 GLU 29 2HB GLU 29 14.326 -0.038 2.549 239 HB3 GLU 29 1HB GLU 29 15.684 -0.549 1.556 240 HG2 GLU 29 2HG GLU 29 13.210 0.058 0.096 241 HG3 GLU 29 1HG GLU 29 13.974 1.424 0.907 242 H VAL 30 H VAL 30 12.822 -3.791 2.694 243 HA VAL 30 HA VAL 30 10.301 -2.310 2.887 244 HB VAL 30 HB VAL 30 9.290 -4.617 3.263 245 HG11 VAL 30 1HG1 VAL 30 9.156 -3.336 1.133 246 HG12 VAL 30 2HG1 VAL 30 9.145 -5.082 0.908 247 HG13 VAL 30 3HG1 VAL 30 10.615 -4.160 0.592 248 HG21 VAL 30 3HG2 VAL 30 11.652 -5.581 3.700 249 HG22 VAL 30 1HG2 VAL 30 11.766 -5.657 1.940 250 HG23 VAL 30 2HG2 VAL 30 10.490 -6.541 2.783 251 H GLU 31 H GLU 31 9.746 -1.543 4.812 252 HA GLU 31 HA GLU 31 10.907 -2.738 7.222 253 HB2 GLU 31 2HB GLU 31 10.437 -0.076 6.423 254 HB3 GLU 31 1HB GLU 31 9.304 -0.394 7.729 255 HG2 GLU 31 2HG GLU 31 10.972 -0.744 9.274 256 HG3 GLU 31 1HG GLU 31 12.169 -1.152 8.046 257 H LEU 32 H LEU 32 9.554 -3.230 9.046 258 HA LEU 32 HA LEU 32 6.708 -3.592 8.380 259 HG LEU 32 HG LEU 32 5.864 -6.234 8.252 260 HB2 LEU 32 2HB LEU 32 8.138 -5.690 8.160 261 HB3 LEU 32 1HB LEU 32 8.300 -5.646 9.903 262 HD11 LEU 32 1HD1 LEU 32 6.090 -8.304 9.047 263 HD12 LEU 32 2HD1 LEU 32 6.375 -7.736 10.691 264 HD13 LEU 32 3HD1 LEU 32 7.709 -7.810 9.541 265 HD21 LEU 32 3HD2 LEU 32 4.607 -6.228 10.454 266 HD22 LEU 32 1HD2 LEU 32 4.957 -4.650 9.753 267 HD23 LEU 32 2HD2 LEU 32 5.925 -5.255 11.098 268 H THR 33 H THR 33 5.641 -2.297 9.710 269 HA THR 33 HA THR 33 6.324 -2.403 12.597 270 HB THR 33 HB THR 33 5.136 -0.048 12.526 271 HG1 THR 33 1HG THR 33 4.711 -0.245 10.235 272 HG21 THR 33 3HG2 THR 33 7.476 0.909 11.657 273 HG22 THR 33 1HG2 THR 33 7.947 -0.752 12.014 274 HG23 THR 33 2HG2 THR 33 7.232 0.252 13.276 275 HA PRO 34 HA PRO 34 2.143 -3.754 13.021 276 HB2 PRO 34 2HB PRO 34 1.530 -2.897 15.517 277 HB3 PRO 34 1HB PRO 34 2.620 -4.247 15.201 278 HG2 PRO 34 2HG PRO 34 3.264 -1.425 15.920 279 HG3 PRO 34 1HG PRO 34 4.051 -2.923 16.446 280 HD2 PRO 34 2HD PRO 34 5.034 -1.271 14.483 281 HD3 PRO 34 1HD PRO 34 5.392 -3.006 14.592 282 H GLU 35 H GLU 35 2.163 -1.677 11.417 283 HA GLU 35 HA GLU 35 -0.305 -0.344 11.929 284 HB2 GLU 35 2HB GLU 35 2.289 1.196 12.044 285 HB3 GLU 35 1HB GLU 35 0.748 1.968 11.684 286 HG2 GLU 35 2HG GLU 35 -0.003 0.810 13.906 287 HG3 GLU 35 1HG GLU 35 1.730 0.779 14.227 288 H ARG 36 H ARG 36 2.640 -0.609 9.987 289 HA ARG 36 HA ARG 36 1.183 -0.788 7.574 290 HE ARG 36 HE ARG 36 4.565 3.799 7.637 291 HB2 ARG 36 2HB ARG 36 2.296 1.286 6.556 292 HB3 ARG 36 1HB ARG 36 0.915 1.551 7.606 293 HG2 ARG 36 2HG ARG 36 2.533 1.973 9.473 294 HG3 ARG 36 1HG ARG 36 3.822 1.920 8.270 295 HD2 ARG 36 2HD ARG 36 1.899 3.659 7.227 296 HD3 ARG 36 1HD ARG 36 2.018 4.064 8.939 297 HH11 ARG 36 1HH1 ARG 36 1.932 5.975 8.355 298 HH12 ARG 36 2HH1 ARG 36 2.901 7.400 8.195 299 HH21 ARG 36 1HH2 ARG 36 5.842 5.673 7.428 300 HH22 ARG 36 2HH2 ARG 36 5.121 7.230 7.668 301 H GLY 37 H GLY 37 2.634 -0.709 5.649 302 HA2 GLY 37 2HA GLY 37 5.259 -1.865 6.347 303 HA3 GLY 37 1HA GLY 37 4.317 -2.329 4.929 304 H PHE 38 H PHE 38 7.061 -1.231 5.014 305 HA PHE 38 HA PHE 38 6.571 1.182 3.382 306 HD1 PHE 38 1HD PHE 38 7.272 3.609 3.655 307 HD2 PHE 38 2HD PHE 38 10.847 1.490 4.583 308 HE1 PHE 38 1HE PHE 38 8.601 5.434 2.690 309 HE2 PHE 38 2HE PHE 38 12.179 3.301 3.595 310 HZ PHE 38 HZ PHE 38 11.058 5.277 2.645 311 HB2 PHE 38 2HB PHE 38 7.497 1.794 5.558 312 HB3 PHE 38 1HB PHE 38 8.823 0.662 5.337 313 H ILE 39 H ILE 39 7.001 0.669 1.351 314 HA ILE 39 HA ILE 39 9.450 -0.916 0.823 315 HB ILE 39 HB ILE 39 7.107 -1.067 -1.049 316 HG12 ILE 39 2HG1 ILE 39 7.479 -2.628 1.504 317 HG13 ILE 39 1HG1 ILE 39 6.011 -1.911 0.850 318 HG21 ILE 39 1HG2 ILE 39 8.705 -3.442 -0.811 319 HG22 ILE 39 2HG2 ILE 39 9.740 -2.037 -1.049 320 HG23 ILE 39 3HG2 ILE 39 8.458 -2.393 -2.206 321 HD11 ILE 39 3HD1 ILE 39 6.002 -4.359 0.780 322 HD12 ILE 39 1HD1 ILE 39 7.402 -4.320 -0.291 323 HD13 ILE 39 2HD1 ILE 39 5.864 -3.637 -0.821 324 H ASP 40 H ASP 40 10.824 0.685 0.112 325 HA ASP 40 HA ASP 40 9.752 2.482 -1.952 326 HB2 ASP 40 2HB ASP 40 11.713 3.983 -1.252 327 HB3 ASP 40 1HB ASP 40 10.328 3.875 -0.174 328 H PHE 41 H PHE 41 10.689 2.676 -3.828 329 HA PHE 41 HA PHE 41 12.797 0.797 -4.555 330 HD1 PHE 41 1HD PHE 41 14.108 0.753 -6.420 331 HD2 PHE 41 2HD PHE 41 10.137 0.521 -7.939 332 HE1 PHE 41 1HE PHE 41 14.841 -0.913 -8.071 333 HE2 PHE 41 2HE PHE 41 10.866 -1.149 -9.592 334 HZ PHE 41 HZ PHE 41 13.220 -1.867 -9.660 335 HB2 PHE 41 2HB PHE 41 10.570 1.579 -5.848 336 HB3 PHE 41 1HB PHE 41 11.694 2.748 -6.518 337 H GLY 42 H GLY 42 12.802 3.719 -3.201 338 HA2 GLY 42 2HA GLY 42 14.914 4.861 -2.874 339 HA3 GLY 42 1HA GLY 42 15.283 4.555 -4.567 340 H ASP 43 H ASP 43 13.983 5.677 -6.185 341 HA ASP 43 HA ASP 43 13.286 8.375 -5.295 342 HB2 ASP 43 2HB ASP 43 14.072 7.129 -7.884 343 HB3 ASP 43 1HB ASP 43 12.972 8.503 -7.966 344 H SER 44 H SER 44 11.556 6.637 -4.338 345 HA SER 44 HA SER 44 9.040 7.452 -4.909 346 HG SER 44 HG SER 44 10.163 4.267 -6.767 347 HB2 SER 44 2HB SER 44 8.337 5.205 -6.212 348 HB3 SER 44 1HB SER 44 8.806 6.673 -7.071 349 H ASN 45 H ASN 45 7.382 6.043 -3.766 350 HA ASN 45 HA ASN 45 8.464 3.754 -2.362 351 HB2 ASN 45 2HB ASN 45 7.352 5.889 -0.582 352 HB3 ASN 45 1HB ASN 45 8.464 4.583 -0.193 353 HD21 ASN 45 1HD2 ASN 45 8.304 7.505 -2.205 354 HD22 ASN 45 2HD2 ASN 45 9.922 8.015 -1.886 355 H CYS 46 H CYS 46 6.793 2.789 -0.838 356 HA CYS 46 HA CYS 46 4.050 3.536 -1.453 357 HG CYS 46 HG CYS 46 2.196 1.952 -2.220 358 HB2 CYS 46 2HB CYS 46 4.845 1.939 -3.243 359 HB3 CYS 46 1HB CYS 46 4.978 0.715 -1.984 360 H GLU 47 H GLU 47 3.446 3.842 0.610 361 HA GLU 47 HA GLU 47 4.088 1.799 2.611 362 HB2 GLU 47 2HB GLU 47 4.427 4.433 2.785 363 HB3 GLU 47 1HB GLU 47 2.752 4.380 3.303 364 HG2 GLU 47 2HG GLU 47 3.251 3.305 5.268 365 HG3 GLU 47 1HG GLU 47 4.729 2.585 4.633 366 H LEU 48 H LEU 48 2.402 0.952 3.993 367 HA LEU 48 HA LEU 48 -0.325 1.482 3.076 368 HG LEU 48 HG LEU 48 1.605 -1.730 3.921 369 HB2 LEU 48 2HB LEU 48 -0.701 -1.082 3.306 370 HB3 LEU 48 1HB LEU 48 -0.106 -0.402 1.805 371 HD11 LEU 48 1HD1 LEU 48 1.426 -3.686 2.827 372 HD12 LEU 48 2HD1 LEU 48 1.328 -2.919 1.243 373 HD13 LEU 48 3HD1 LEU 48 -0.104 -3.012 2.266 374 HD21 LEU 48 3HD2 LEU 48 3.038 -1.714 1.599 375 HD22 LEU 48 1HD2 LEU 48 3.226 -0.548 2.908 376 HD23 LEU 48 2HD2 LEU 48 2.212 -0.155 1.518 377 H LEU 49 H LEU 49 -1.655 1.822 4.680 378 HA LEU 49 HA LEU 49 -0.840 1.047 7.394 379 HG LEU 49 HG LEU 49 -2.204 1.852 9.177 380 HB2 LEU 49 2HB LEU 49 -1.823 3.368 6.698 381 HB3 LEU 49 1HB LEU 49 -3.362 2.529 6.768 382 HD11 LEU 49 1HD1 LEU 49 -1.793 4.451 9.843 383 HD12 LEU 49 2HD1 LEU 49 -1.078 4.390 8.233 384 HD13 LEU 49 3HD1 LEU 49 -0.514 3.289 9.490 385 HD21 LEU 49 3HD2 LEU 49 -3.808 3.515 10.113 386 HD22 LEU 49 1HD2 LEU 49 -4.515 2.431 8.915 387 HD23 LEU 49 2HD2 LEU 49 -4.101 4.088 8.471 388 H ALA 50 H ALA 50 -1.741 -0.610 8.482 389 HA ALA 50 HA ALA 50 -4.234 -1.737 7.432 390 HB1 ALA 50 3HB ALA 50 -2.787 -3.118 6.334 391 HB2 ALA 50 1HB ALA 50 -3.073 -4.012 7.816 392 HB3 ALA 50 2HB ALA 50 -1.596 -3.084 7.635 393 H HIS 51 H HIS 51 -5.619 -1.649 9.037 394 HA HIS 51 HA HIS 51 -4.752 -2.486 11.690 395 HD1 HIS 51 1HD HIS 51 -7.737 0.133 13.716 396 HD2 HIS 51 2HD HIS 51 -3.847 -1.291 13.363 397 HE1 HIS 51 1HE HIS 51 -6.713 0.400 15.997 398 HE2 HIS 51 2HE HIS 51 -4.389 -0.548 15.779 399 HB2 HIS 51 2HB HIS 51 -5.916 -0.086 11.020 400 HB3 HIS 51 1HB HIS 51 -7.310 -1.034 11.513 401 HA PRO 52 HA PRO 52 -7.313 -6.041 11.881 402 HB2 PRO 52 2HB PRO 52 -9.022 -4.632 13.885 403 HB3 PRO 52 1HB PRO 52 -8.308 -6.247 13.946 404 HG2 PRO 52 2HG PRO 52 -7.207 -4.252 15.294 405 HG3 PRO 52 1HG PRO 52 -6.192 -5.438 14.456 406 HD2 PRO 52 2HD PRO 52 -6.831 -2.626 13.701 407 HD3 PRO 52 1HD PRO 52 -5.343 -3.549 13.444 408 H ASP 53 H ASP 53 -8.962 -2.986 11.281 409 HA ASP 53 HA ASP 53 -10.923 -4.510 9.745 410 HB2 ASP 53 2HB ASP 53 -11.728 -3.791 12.129 411 HB3 ASP 53 1HB ASP 53 -11.929 -2.212 11.375 412 H HIS 54 H HIS 54 -8.693 -2.116 9.581 413 HA HIS 54 HA HIS 54 -10.007 -1.130 7.202 414 HD1 HIS 54 1HD HIS 54 -7.282 1.915 8.756 415 HD2 HIS 54 2HD HIS 54 -10.034 0.382 11.465 416 HE1 HIS 54 1HE HIS 54 -6.377 2.489 11.029 417 HE2 HIS 54 2HE HIS 54 -8.144 1.698 12.640 418 HB2 HIS 54 2HB HIS 54 -9.556 1.251 7.710 419 HB3 HIS 54 1HB HIS 54 -10.753 0.523 8.766 420 H VAL 55 H VAL 55 -8.558 0.014 5.706 421 HA VAL 55 HA VAL 55 -5.721 -0.319 6.294 422 HB VAL 55 HB VAL 55 -6.849 -2.300 4.985 423 HG11 VAL 55 1HG1 VAL 55 -7.149 -2.121 2.731 424 HG12 VAL 55 2HG1 VAL 55 -6.039 -0.760 2.579 425 HG13 VAL 55 3HG1 VAL 55 -7.653 -0.512 3.242 426 HG21 VAL 55 3HG2 VAL 55 -4.739 -2.820 3.966 427 HG22 VAL 55 1HG2 VAL 55 -4.457 -2.052 5.527 428 HG23 VAL 55 2HG2 VAL 55 -4.247 -1.127 4.039 429 H LEU 56 H LEU 56 -4.451 1.197 5.403 430 HA LEU 56 HA LEU 56 -5.712 3.148 3.592 431 HG LEU 56 HG LEU 56 -6.453 4.786 5.500 432 HB2 LEU 56 2HB LEU 56 -4.431 3.541 6.143 433 HB3 LEU 56 1HB LEU 56 -3.513 4.370 4.909 434 HD11 LEU 56 1HD1 LEU 56 -5.886 6.747 6.621 435 HD12 LEU 56 2HD1 LEU 56 -4.239 6.745 5.991 436 HD13 LEU 56 3HD1 LEU 56 -4.719 5.563 7.209 437 HD21 LEU 56 3HD2 LEU 56 -5.831 6.928 4.097 438 HD22 LEU 56 1HD2 LEU 56 -6.333 5.437 3.303 439 HD23 LEU 56 2HD2 LEU 56 -4.620 5.852 3.404 440 H MET 57 H MET 57 -4.476 3.941 1.889 441 HA MET 57 HA MET 57 -1.897 2.598 1.462 442 HB2 MET 57 2HB MET 57 -3.832 3.130 -0.772 443 HB3 MET 57 1HB MET 57 -2.434 2.060 -0.761 444 HG2 MET 57 2HG MET 57 -3.572 0.608 0.870 445 HG3 MET 57 1HG MET 57 -4.985 1.662 0.785 446 HE1 MET 57 3HE MET 57 -6.564 1.773 -0.592 447 HE2 MET 57 1HE MET 57 -7.129 0.211 -1.186 448 HE3 MET 57 2HE MET 57 -6.545 1.427 -2.322 449 H ILE 58 H ILE 58 -0.326 4.102 1.433 450 HA ILE 58 HA ILE 58 -0.887 6.637 0.051 451 HB ILE 58 HB ILE 58 0.931 6.290 2.440 452 HG12 ILE 58 2HG1 ILE 58 -1.927 6.582 2.340 453 HG13 ILE 58 1HG1 ILE 58 -0.888 6.422 3.742 454 HG21 ILE 58 1HG2 ILE 58 1.048 8.715 2.435 455 HG22 ILE 58 2HG2 ILE 58 -0.018 8.776 1.031 456 HG23 ILE 58 3HG2 ILE 58 1.589 8.058 0.890 457 HD11 ILE 58 3HD1 ILE 58 -2.416 8.484 3.532 458 HD12 ILE 58 1HD1 ILE 58 -1.197 9.077 2.402 459 HD13 ILE 58 2HD1 ILE 58 -0.750 8.703 4.066 460 H LEU 59 H LEU 59 0.629 7.332 -1.382 461 HA LEU 59 HA LEU 59 3.084 5.717 -1.611 462 HG LEU 59 HG LEU 59 1.310 6.908 -5.309 463 HB2 LEU 59 2HB LEU 59 2.967 5.729 -3.933 464 HB3 LEU 59 1HB LEU 59 1.319 5.417 -3.434 465 HD11 LEU 59 1HD1 LEU 59 0.024 8.733 -4.421 466 HD12 LEU 59 2HD1 LEU 59 0.687 8.451 -2.813 467 HD13 LEU 59 3HD1 LEU 59 -0.365 7.246 -3.556 468 HD21 LEU 59 3HD2 LEU 59 2.673 8.643 -5.656 469 HD22 LEU 59 1HD2 LEU 59 3.669 7.902 -4.407 470 HD23 LEU 59 2HD2 LEU 59 2.555 9.202 -3.995 471 H ASN 60 H ASN 60 4.987 6.770 -2.091 472 HA ASN 60 HA ASN 60 4.859 9.713 -2.133 473 HB2 ASN 60 2HB ASN 60 7.105 8.105 -0.899 474 HB3 ASN 60 1HB ASN 60 6.860 9.848 -0.809 475 HD21 ASN 60 1HD2 ASN 60 7.264 8.472 1.470 476 HD22 ASN 60 2HD2 ASN 60 5.804 8.378 2.389 477 H SER 61 H SER 61 5.171 10.121 -4.248 478 HA SER 61 HA SER 61 7.706 9.187 -5.405 479 HG SER 61 HG SER 61 5.749 7.028 -5.195 480 HB2 SER 61 2HB SER 61 5.491 8.899 -7.307 481 HB3 SER 61 1HB SER 61 6.855 7.830 -6.995 482 HA PRO 62 HA PRO 62 7.826 13.326 -7.002 483 HB2 PRO 62 2HB PRO 62 9.830 12.980 -8.772 484 HB3 PRO 62 1HB PRO 62 10.068 13.049 -7.025 485 HG2 PRO 62 2HG PRO 62 9.847 10.634 -8.790 486 HG3 PRO 62 1HG PRO 62 11.053 10.990 -7.534 487 HD2 PRO 62 2HD PRO 62 8.969 9.398 -7.043 488 HD3 PRO 62 1HD PRO 62 9.576 10.519 -5.812 489 H ASP 63 H ASP 63 6.869 10.627 -8.905 490 HA ASP 63 HA ASP 63 5.884 12.510 -10.926 491 HB2 ASP 63 2HB ASP 63 6.431 10.820 -12.708 492 HB3 ASP 63 1HB ASP 63 7.836 11.574 -11.960 493 H GLU 64 H GLU 64 3.870 11.918 -11.885 494 HA GLU 64 HA GLU 64 2.183 10.335 -10.235 495 HB2 GLU 64 2HB GLU 64 1.802 11.582 -12.929 496 HB3 GLU 64 1HB GLU 64 0.711 10.292 -12.456 497 HG2 GLU 64 2HG GLU 64 -0.436 12.054 -11.627 498 HG3 GLU 64 1HG GLU 64 0.565 11.672 -10.220 499 H ASP 65 H ASP 65 3.846 9.457 -13.295 500 HA ASP 65 HA ASP 65 2.771 6.961 -13.738 501 HB2 ASP 65 2HB ASP 65 4.586 8.113 -15.076 502 HB3 ASP 65 1HB ASP 65 5.729 7.568 -13.849 503 H SER 66 H SER 66 5.551 7.770 -11.692 504 HA SER 66 HA SER 66 5.846 5.240 -10.474 505 HG SER 66 HG SER 66 7.790 7.042 -11.337 506 HB2 SER 66 2HB SER 66 6.612 8.031 -9.611 507 HB3 SER 66 1HB SER 66 6.999 6.606 -8.644 508 H LEU 67 H LEU 67 4.427 8.223 -9.306 509 HA LEU 67 HA LEU 67 3.312 7.621 -6.937 510 HG LEU 67 HG LEU 67 1.031 9.289 -6.535 511 HB2 LEU 67 2HB LEU 67 3.131 9.811 -7.766 512 HB3 LEU 67 1HB LEU 67 2.349 9.288 -9.229 513 HD11 LEU 67 1HD1 LEU 67 1.483 11.403 -8.471 514 HD12 LEU 67 2HD1 LEU 67 1.013 11.495 -6.773 515 HD13 LEU 67 3HD1 LEU 67 -0.206 11.198 -8.013 516 HD21 LEU 67 3HD2 LEU 67 -0.257 7.819 -7.738 517 HD22 LEU 67 1HD2 LEU 67 0.128 8.589 -9.278 518 HD23 LEU 67 2HD2 LEU 67 -1.012 9.351 -8.169 519 H ALA 68 H ALA 68 1.481 7.216 -9.990 520 HA ALA 68 HA ALA 68 -0.634 5.805 -8.742 521 HB1 ALA 68 3HB ALA 68 0.216 6.006 -11.633 522 HB2 ALA 68 1HB ALA 68 -1.066 6.902 -10.818 523 HB3 ALA 68 2HB ALA 68 -1.244 5.170 -11.101 524 H HIS 69 H HIS 69 2.344 4.795 -10.333 525 HA HIS 69 HA HIS 69 1.860 2.068 -10.597 526 HD1 HIS 69 1HD HIS 69 6.429 1.979 -11.368 527 HD2 HIS 69 2HD HIS 69 2.990 -0.061 -10.237 528 HE1 HIS 69 1HE HIS 69 6.994 -0.462 -11.581 529 HE2 HIS 69 2HE HIS 69 4.928 -1.677 -10.806 530 HB2 HIS 69 2HB HIS 69 3.874 3.298 -11.452 531 HB3 HIS 69 1HB HIS 69 4.499 3.317 -9.807 532 H MET 70 H MET 70 2.808 3.976 -7.828 533 HA MET 70 HA MET 70 3.192 1.691 -6.094 534 HB2 MET 70 2HB MET 70 2.862 4.504 -5.113 535 HB3 MET 70 1HB MET 70 3.889 3.239 -4.464 536 HG2 MET 70 2HG MET 70 4.622 4.015 -7.173 537 HG3 MET 70 1HG MET 70 4.694 5.345 -6.021 538 HE1 MET 70 3HE MET 70 7.482 1.826 -6.468 539 HE2 MET 70 1HE MET 70 6.128 2.320 -7.482 540 HE3 MET 70 2HE MET 70 5.838 1.370 -6.027 541 H GLN 71 H GLN 71 0.816 4.420 -6.054 542 HA GLN 71 HA GLN 71 -0.784 3.379 -4.057 543 HB2 GLN 71 2HB GLN 71 -2.691 4.657 -5.307 544 HB3 GLN 71 1HB GLN 71 -1.404 5.539 -4.513 545 HG2 GLN 71 2HG GLN 71 -0.841 6.505 -6.417 546 HG3 GLN 71 1HG GLN 71 -0.731 4.957 -7.247 547 HE21 GLN 71 1HE2 GLN 71 -3.284 7.015 -5.888 548 HE22 GLN 71 2HE2 GLN 71 -4.327 6.919 -7.261 549 H ASN 72 H ASN 72 -0.590 2.412 -7.389 550 HA ASN 72 HA ASN 72 -3.075 0.944 -7.313 551 HB2 ASN 72 2HB ASN 72 -1.781 2.005 -9.374 552 HB3 ASN 72 1HB ASN 72 -1.024 0.415 -9.411 553 HD21 ASN 72 1HD2 ASN 72 -2.681 -1.419 -9.170 554 HD22 ASN 72 2HD2 ASN 72 -4.087 -1.283 -10.165 555 H VAL 73 H VAL 73 0.388 0.164 -7.224 556 HA VAL 73 HA VAL 73 0.395 -2.553 -7.341 557 HB VAL 73 HB VAL 73 2.036 -0.641 -5.711 558 HG11 VAL 73 1HG1 VAL 73 2.294 -3.644 -5.667 559 HG12 VAL 73 2HG1 VAL 73 1.992 -2.576 -4.296 560 HG13 VAL 73 3HG1 VAL 73 3.547 -2.527 -5.126 561 HG21 VAL 73 3HG2 VAL 73 3.233 -2.522 -7.638 562 HG22 VAL 73 1HG2 VAL 73 3.543 -0.805 -7.380 563 HG23 VAL 73 2HG2 VAL 73 2.135 -1.316 -8.312 564 H VAL 74 H VAL 74 -0.388 -0.574 -4.508 565 HA VAL 74 HA VAL 74 -0.810 -2.807 -2.774 566 HB VAL 74 HB VAL 74 -1.793 0.034 -2.502 567 HG11 VAL 74 1HG1 VAL 74 -3.047 -1.710 -1.167 568 HG12 VAL 74 2HG1 VAL 74 -2.306 -0.410 -0.237 569 HG13 VAL 74 3HG1 VAL 74 -1.540 -1.996 -0.297 570 HG21 VAL 74 3HG2 VAL 74 0.278 0.578 -1.923 571 HG22 VAL 74 1HG2 VAL 74 0.810 -1.077 -2.226 572 HG23 VAL 74 2HG2 VAL 74 0.234 -0.615 -0.627 573 H ALA 75 H ALA 75 -3.030 -0.670 -4.602 574 HA ALA 75 HA ALA 75 -5.463 -1.628 -3.772 575 HB1 ALA 75 3HB ALA 75 -4.641 -0.829 -6.563 576 HB2 ALA 75 1HB ALA 75 -5.328 0.215 -5.317 577 HB3 ALA 75 2HB ALA 75 -6.307 -1.062 -6.039 578 H ASP 76 H ASP 76 -3.071 -3.154 -5.744 579 HA ASP 76 HA ASP 76 -4.773 -5.251 -6.726 580 HB2 ASP 76 2HB ASP 76 -2.354 -4.284 -7.510 581 HB3 ASP 76 1HB ASP 76 -1.861 -5.735 -6.643 582 H HIS 77 H HIS 77 -2.382 -4.936 -4.125 583 HA HIS 77 HA HIS 77 -2.347 -7.604 -3.301 584 HD1 HIS 77 1HD HIS 77 -0.723 -6.478 -4.604 585 HD2 HIS 77 2HD HIS 77 0.920 -4.736 -1.209 586 HE1 HIS 77 1HE HIS 77 1.564 -5.691 -5.292 587 HE2 HIS 77 2HE HIS 77 2.509 -4.571 -3.242 588 HB2 HIS 77 2HB HIS 77 -2.015 -5.194 -1.505 589 HB3 HIS 77 1HB HIS 77 -1.408 -6.815 -1.219 590 H LEU 78 H LEU 78 -4.516 -4.967 -2.346 591 HA LEU 78 HA LEU 78 -5.913 -6.433 -0.373 592 HG LEU 78 HG LEU 78 -5.057 -3.227 -0.600 593 HB2 LEU 78 2HB LEU 78 -6.727 -4.048 -2.042 594 HB3 LEU 78 1HB LEU 78 -7.685 -4.683 -0.722 595 HD11 LEU 78 1HD1 LEU 78 -7.605 -2.853 0.953 596 HD12 LEU 78 2HD1 LEU 78 -7.244 -2.022 -0.559 597 HD13 LEU 78 3HD1 LEU 78 -6.225 -1.760 0.856 598 HD21 LEU 78 3HD2 LEU 78 -5.361 -3.754 1.955 599 HD22 LEU 78 1HD2 LEU 78 -4.494 -4.875 0.906 600 HD23 LEU 78 2HD2 LEU 78 -6.169 -5.197 1.347 601 H GLN 79 H GLN 79 -6.050 -6.346 -3.830 602 HA GLN 79 HA GLN 79 -8.687 -7.413 -4.079 603 HB2 GLN 79 2HB GLN 79 -7.678 -6.109 -5.875 604 HB3 GLN 79 1HB GLN 79 -6.424 -7.321 -6.074 605 HG2 GLN 79 2HG GLN 79 -7.780 -8.754 -7.182 606 HG3 GLN 79 1HG GLN 79 -9.223 -8.242 -6.306 607 HE21 GLN 79 1HE2 GLN 79 -8.626 -8.594 -9.207 608 HE22 GLN 79 2HE2 GLN 79 -9.079 -7.095 -9.938 609 H ARG 80 H ARG 80 -5.424 -8.889 -4.180 610 HA ARG 80 HA ARG 80 -6.382 -11.461 -4.842 611 HE ARG 80 HE ARG 80 -2.242 -13.949 -2.500 612 HB2 ARG 80 2HB ARG 80 -4.216 -12.120 -4.833 613 HB3 ARG 80 1HB ARG 80 -3.935 -10.389 -4.861 614 HG2 ARG 80 2HG ARG 80 -3.324 -10.337 -2.612 615 HG3 ARG 80 1HG ARG 80 -4.049 -11.907 -2.275 616 HD2 ARG 80 2HD ARG 80 -1.770 -11.626 -4.202 617 HD3 ARG 80 1HD ARG 80 -1.488 -11.742 -2.468 618 HH11 ARG 80 1HH1 ARG 80 -2.454 -12.503 -5.677 619 HH12 ARG 80 2HH1 ARG 80 -2.645 -14.021 -6.485 620 HH21 ARG 80 1HH2 ARG 80 -2.496 -15.938 -3.570 621 HH22 ARG 80 2HH2 ARG 80 -2.670 -15.967 -5.292 622 H MET 81 H MET 81 -6.100 -9.734 -1.837 623 HA MET 81 HA MET 81 -6.467 -12.117 -0.245 624 HB2 MET 81 2HB MET 81 -6.505 -10.595 1.672 625 HB3 MET 81 1HB MET 81 -5.113 -10.319 0.645 626 HG2 MET 81 2HG MET 81 -5.888 -8.203 1.311 627 HG3 MET 81 1HG MET 81 -6.356 -8.394 -0.374 628 HE1 MET 81 3HE MET 81 -7.676 -6.429 2.290 629 HE2 MET 81 1HE MET 81 -9.194 -6.240 1.411 630 HE3 MET 81 2HE MET 81 -7.660 -6.158 0.548 631 H ALA 82 H ALA 82 -8.498 -9.970 -1.927 632 HA ALA 82 HA ALA 82 -10.844 -11.197 -0.659 633 HB1 ALA 82 3HB ALA 82 -11.944 -8.869 -0.762 634 HB2 ALA 82 1HB ALA 82 -10.292 -8.250 -0.800 635 HB3 ALA 82 2HB ALA 82 -10.840 -9.216 0.570 636 H ASN 83 H ASN 83 -11.739 -12.222 -2.332 637 HA ASN 83 HA ASN 83 -11.640 -11.057 -5.000 638 HB2 ASN 83 2HB ASN 83 -12.866 -13.700 -4.212 639 HB3 ASN 83 1HB ASN 83 -12.330 -13.192 -5.811 640 HD21 ASN 83 1HD2 ASN 83 -11.325 -14.252 -2.652 641 HD22 ASN 83 2HD2 ASN 83 -9.706 -14.666 -3.087 642 H SER 84 H SER 84 -13.922 -12.060 -6.142 643 HA SER 84 HA SER 84 -16.204 -11.870 -6.324 644 HG SER 84 HG SER 84 -16.659 -13.112 -3.724 645 HB2 SER 84 2HB SER 84 -16.384 -10.340 -3.743 646 HB3 SER 84 1HB SER 84 -17.598 -11.359 -4.514 647 H GLU 85 H GLU 85 -13.997 -9.334 -5.822 648 HA GLU 85 HA GLU 85 -15.258 -7.683 -7.746 649 HB2 GLU 85 2HB GLU 85 -15.812 -5.765 -6.365 650 HB3 GLU 85 1HB GLU 85 -16.717 -7.170 -5.819 651 HG2 GLU 85 2HG GLU 85 -15.100 -7.487 -4.001 652 HG3 GLU 85 1HG GLU 85 -14.235 -6.048 -4.537 653 H SER 86 H SER 86 -13.912 -6.004 -8.459 654 HA SER 86 HA SER 86 -11.136 -6.368 -7.867 655 HG SER 86 HG SER 86 -11.855 -6.791 -10.191 656 HB2 SER 86 2HB SER 86 -12.350 -4.105 -9.461 657 HB3 SER 86 1HB SER 86 -10.719 -4.763 -9.590 658 H LEU 87 H LEU 87 -11.492 -5.926 -5.537 659 HA LEU 87 HA LEU 87 -11.707 -4.533 -3.693 660 HG LEU 87 HG LEU 87 -8.248 -4.681 -3.004 661 HB2 LEU 87 2HB LEU 87 -9.191 -4.393 -5.031 662 HB3 LEU 87 1HB LEU 87 -9.544 -2.813 -4.352 663 HD11 LEU 87 1HD1 LEU 87 -9.274 -3.566 -0.905 664 HD12 LEU 87 2HD1 LEU 87 -10.169 -2.591 -2.069 665 HD13 LEU 87 3HD1 LEU 87 -8.405 -2.567 -2.071 666 HD21 LEU 87 3HD2 LEU 87 -10.170 -6.273 -3.103 667 HD22 LEU 87 1HD2 LEU 87 -11.078 -5.148 -2.092 668 HD23 LEU 87 2HD2 LEU 87 -9.611 -5.900 -1.474 669 H GLU 88 H GLU 88 -13.321 -3.134 -3.413 670 HA GLU 88 HA GLU 88 -13.671 -0.839 -5.100 671 HB2 GLU 88 2HB GLU 88 -15.553 -1.951 -3.885 672 HB3 GLU 88 1HB GLU 88 -14.851 -1.408 -2.366 673 HG2 GLU 88 2HG GLU 88 -15.623 0.682 -2.607 674 HG3 GLU 88 1HG GLU 88 -15.307 0.712 -4.341 675 H ILE 89 H ILE 89 -11.879 0.466 -5.047 676 HA ILE 89 HA ILE 89 -11.218 1.607 -2.427 677 HB ILE 89 HB ILE 89 -8.895 1.531 -2.790 678 HG12 ILE 89 2HG1 ILE 89 -9.212 2.115 -5.352 679 HG13 ILE 89 1HG1 ILE 89 -7.762 1.306 -4.787 680 HG21 ILE 89 1HG2 ILE 89 -8.435 -0.863 -3.382 681 HG22 ILE 89 2HG2 ILE 89 -10.156 -1.016 -3.738 682 HG23 ILE 89 3HG2 ILE 89 -9.626 -0.598 -2.109 683 HD11 ILE 89 3HD1 ILE 89 -8.627 0.317 -6.838 684 HD12 ILE 89 1HD1 ILE 89 -10.143 -0.057 -6.019 685 HD13 ILE 89 2HD1 ILE 89 -8.645 -0.832 -5.500 686 H ALA 90 H ALA 90 -11.258 3.833 -2.361 687 HA ALA 90 HA ALA 90 -11.573 5.186 -4.942 688 HB1 ALA 90 3HB ALA 90 -12.503 7.025 -3.797 689 HB2 ALA 90 1HB ALA 90 -11.872 6.488 -2.241 690 HB3 ALA 90 2HB ALA 90 -13.192 5.604 -3.014 691 H TRP 91 H TRP 91 -9.747 5.782 -5.841 692 HA TRP 91 HA TRP 91 -7.470 6.502 -4.179 693 HD1 TRP 91 HD TRP 91 -9.688 6.948 -7.271 694 HE1 TRP 91 1HE TRP 91 -9.813 7.031 -9.837 695 HE3 TRP 91 3HE TRP 91 -5.006 5.215 -8.370 696 HZ2 TRP 91 2HZ TRP 91 -8.151 6.441 -12.039 697 HZ3 TRP 91 3HZ TRP 91 -4.353 5.003 -10.732 698 HH2 TRP 91 HH TRP 91 -5.894 5.603 -12.529 699 HB2 TRP 91 2HB TRP 91 -6.139 6.365 -6.199 700 HB3 TRP 91 1HB TRP 91 -7.133 4.923 -6.042 701 H GLN 92 H GLN 92 -6.672 8.478 -3.939 702 HA GLN 92 HA GLN 92 -8.172 10.696 -5.079 703 HB2 GLN 92 2HB GLN 92 -5.976 10.603 -3.004 704 HB3 GLN 92 1HB GLN 92 -6.763 12.080 -3.539 705 HG2 GLN 92 2HG GLN 92 -8.808 11.476 -2.579 706 HG3 GLN 92 1HG GLN 92 -8.325 9.790 -2.404 707 HE21 GLN 92 1HE2 GLN 92 -9.215 10.398 -0.200 708 HE22 GLN 92 2HE2 GLN 92 -8.065 10.961 0.961 709 HA PRO 93 HA PRO 93 -5.520 11.913 -8.366 710 HB2 PRO 93 2HB PRO 93 -5.267 14.523 -6.957 711 HB3 PRO 93 1HB PRO 93 -5.684 14.195 -8.642 712 HG2 PRO 93 2HG PRO 93 -7.568 14.881 -6.886 713 HG3 PRO 93 1HG PRO 93 -7.883 13.664 -8.135 714 HD2 PRO 93 2HD PRO 93 -7.429 13.309 -5.219 715 HD3 PRO 93 1HD PRO 93 -8.416 12.347 -6.335 716 H ALA 94 H ALA 94 -4.488 12.942 -5.131 717 HA ALA 94 HA ALA 94 -2.465 12.371 -4.104 718 HB1 ALA 94 3HB ALA 94 -0.693 11.382 -5.168 719 HB2 ALA 94 1HB ALA 94 -0.942 12.298 -6.653 720 HB3 ALA 94 2HB ALA 94 -1.993 10.935 -6.275 721 H GLU 95 H GLU 95 -3.564 14.876 -4.554 722 HA GLU 95 HA GLU 95 -1.127 16.504 -4.792 723 HB2 GLU 95 2HB GLU 95 -3.009 16.560 -6.718 724 HB3 GLU 95 1HB GLU 95 -3.682 17.759 -5.622 725 HG2 GLU 95 2HG GLU 95 -1.806 19.153 -5.821 726 HG3 GLU 95 1HG GLU 95 -0.834 17.877 -6.551 727 H SER 96 H SER 96 -0.849 18.026 -3.249 728 HA SER 96 HA SER 96 -3.084 18.783 -1.539 729 HG SER 96 HG SER 96 -1.233 18.056 1.506 730 HB2 SER 96 2HB SER 96 -2.190 16.850 -0.378 731 HB3 SER 96 1HB SER 96 -0.553 17.497 -0.490 Start of MODEL 11 1 HA MET 1 HA MET 1 6.951 13.346 -5.102 2 HB2 MET 1 2HB MET 1 7.620 13.632 -2.812 3 HB3 MET 1 1HB MET 1 8.896 14.237 -3.861 4 HG2 MET 1 2HG MET 1 8.744 16.309 -3.044 5 HG3 MET 1 1HG MET 1 6.984 16.286 -3.041 6 HE1 MET 1 3HE MET 1 5.736 14.494 -0.966 7 HE2 MET 1 1HE MET 1 5.615 16.243 -1.156 8 HE3 MET 1 2HE MET 1 5.953 15.551 0.430 9 H PHE 2 H PHE 2 4.859 13.356 -5.634 10 HA PHE 2 HA PHE 2 3.017 15.132 -4.198 11 HD1 PHE 2 1HD PHE 2 3.471 16.548 -6.630 12 HD2 PHE 2 2HD PHE 2 3.023 12.572 -8.083 13 HE1 PHE 2 1HE PHE 2 4.781 17.134 -8.628 14 HE2 PHE 2 2HE PHE 2 4.325 13.153 -10.081 15 HZ PHE 2 HZ PHE 2 5.212 15.434 -10.358 16 HB2 PHE 2 2HB PHE 2 1.934 13.185 -6.154 17 HB3 PHE 2 1HB PHE 2 1.541 14.885 -5.931 18 H ARG 3 H ARG 3 0.874 13.930 -3.471 19 HA ARG 3 HA ARG 3 1.444 11.206 -2.648 20 HE ARG 3 HE ARG 3 4.720 10.771 1.459 21 HB2 ARG 3 2HB ARG 3 1.979 13.305 -0.858 22 HB3 ARG 3 1HB ARG 3 0.477 12.574 -0.301 23 HG2 ARG 3 2HG ARG 3 1.760 11.082 0.717 24 HG3 ARG 3 1HG ARG 3 2.044 10.400 -0.869 25 HD2 ARG 3 2HD ARG 3 4.198 10.928 -0.749 26 HD3 ARG 3 1HD ARG 3 3.796 12.623 -0.476 27 HH11 ARG 3 1HH1 ARG 3 2.544 13.469 1.051 28 HH12 ARG 3 2HH1 ARG 3 2.631 13.951 2.712 29 HH21 ARG 3 1HH2 ARG 3 4.835 11.405 3.645 30 HH22 ARG 3 2HH2 ARG 3 3.932 12.780 4.184 31 H SER 4 H SER 4 -0.273 9.986 -2.822 32 HA SER 4 HA SER 4 -2.966 11.169 -2.694 33 HG SER 4 HG SER 4 -4.488 9.003 -4.243 34 HB2 SER 4 2HB SER 4 -2.981 10.382 -4.864 35 HB3 SER 4 1HB SER 4 -1.721 9.185 -4.544 36 H THR 5 H THR 5 -4.657 9.541 -1.935 37 HA THR 5 HA THR 5 -3.533 7.430 -0.292 38 HB THR 5 HB THR 5 -4.561 8.128 1.765 39 HG1 THR 5 1HG THR 5 -6.366 9.167 1.364 40 HG21 THR 5 3HG2 THR 5 -3.251 9.885 2.413 41 HG22 THR 5 1HG2 THR 5 -3.426 10.736 0.881 42 HG23 THR 5 2HG2 THR 5 -2.373 9.325 0.993 43 H SER 6 H SER 6 -4.675 5.642 -0.383 44 HA SER 6 HA SER 6 -7.485 5.825 -1.265 45 HG SER 6 HG SER 6 -8.042 3.206 -1.496 46 HB2 SER 6 2HB SER 6 -5.916 4.571 -2.762 47 HB3 SER 6 1HB SER 6 -5.641 3.429 -1.447 48 H HIS 7 H HIS 7 -9.045 5.225 0.113 49 HA HIS 7 HA HIS 7 -8.255 3.743 2.544 50 HD1 HIS 7 1HD HIS 7 -9.853 6.856 5.066 51 HD2 HIS 7 2HD HIS 7 -10.142 2.767 4.386 52 HE1 HIS 7 1HE HIS 7 -10.167 5.816 7.333 53 HE2 HIS 7 2HE HIS 7 -10.426 3.351 6.886 54 HB2 HIS 7 2HB HIS 7 -9.173 6.163 2.700 55 HB3 HIS 7 1HB HIS 7 -10.734 5.434 2.347 56 H VAL 8 H VAL 8 -9.181 1.809 2.949 57 HA VAL 8 HA VAL 8 -11.702 1.115 1.616 58 HB VAL 8 HB VAL 8 -9.484 -0.907 1.680 59 HG11 VAL 8 1HG1 VAL 8 -10.735 -1.971 -0.069 60 HG12 VAL 8 2HG1 VAL 8 -11.825 -0.590 -0.194 61 HG13 VAL 8 3HG1 VAL 8 -11.835 -1.593 1.258 62 HG21 VAL 8 3HG2 VAL 8 -9.994 0.907 -0.670 63 HG22 VAL 8 1HG2 VAL 8 -8.735 -0.316 -0.499 64 HG23 VAL 8 2HG2 VAL 8 -8.681 1.147 0.482 65 H ARG 9 H ARG 9 -12.859 -0.644 2.644 66 HA ARG 9 HA ARG 9 -12.077 -0.934 5.458 67 HE ARG 9 HE ARG 9 -15.241 2.273 6.783 68 HB2 ARG 9 2HB ARG 9 -14.693 -0.987 4.054 69 HB3 ARG 9 1HB ARG 9 -14.515 -2.060 5.431 70 HG2 ARG 9 2HG ARG 9 -15.456 -0.030 6.217 71 HG3 ARG 9 1HG ARG 9 -13.785 -0.096 6.780 72 HD2 ARG 9 2HD ARG 9 -13.090 1.555 5.319 73 HD3 ARG 9 1HD ARG 9 -14.432 1.280 4.210 74 HH11 ARG 9 1HH1 ARG 9 -14.139 3.156 3.591 75 HH12 ARG 9 2HH1 ARG 9 -14.832 4.741 3.654 76 HH21 ARG 9 1HH2 ARG 9 -16.153 4.359 6.867 77 HH22 ARG 9 2HH2 ARG 9 -15.975 5.425 5.514 78 H THR 10 H THR 10 -10.771 -2.631 5.745 79 HA THR 10 HA THR 10 -11.611 -5.229 4.648 80 HB THR 10 HB THR 10 -9.313 -3.794 3.916 81 HG1 THR 10 1HG THR 10 -10.063 -5.171 2.468 82 HG21 THR 10 3HG2 THR 10 -7.461 -4.791 4.707 83 HG22 THR 10 1HG2 THR 10 -8.278 -6.325 5.012 84 HG23 THR 10 2HG2 THR 10 -8.475 -4.980 6.143 85 H GLU 11 H GLU 11 -10.878 -7.110 5.893 86 HA GLU 11 HA GLU 11 -10.554 -6.430 8.739 87 HB2 GLU 11 2HB GLU 11 -12.265 -8.244 7.373 88 HB3 GLU 11 1HB GLU 11 -11.183 -9.186 8.390 89 HG2 GLU 11 2HG GLU 11 -12.258 -8.587 10.231 90 HG3 GLU 11 1HG GLU 11 -12.192 -6.881 9.791 91 H SER 12 H SER 12 -8.980 -7.436 10.025 92 HA SER 12 HA SER 12 -6.949 -8.312 10.515 93 HG SER 12 HG SER 12 -5.606 -10.359 8.411 94 HB2 SER 12 2HB SER 12 -7.879 -10.443 10.097 95 HB3 SER 12 1HB SER 12 -7.840 -10.210 8.349 96 H ALA 13 H ALA 13 -7.207 -6.198 8.513 97 HA ALA 13 HA ALA 13 -5.503 -6.356 6.342 98 HB1 ALA 13 3HB ALA 13 -5.299 -3.975 6.459 99 HB2 ALA 13 1HB ALA 13 -5.758 -3.999 8.152 100 HB3 ALA 13 2HB ALA 13 -6.939 -4.424 6.925 101 H ALA 14 H ALA 14 -4.592 -5.308 9.602 102 HA ALA 14 HA ALA 14 -2.003 -4.610 9.295 103 HB1 ALA 14 3HB ALA 14 -3.153 -6.221 11.557 104 HB2 ALA 14 1HB ALA 14 -3.108 -4.463 11.399 105 HB3 ALA 14 2HB ALA 14 -1.607 -5.370 11.604 106 H ARG 15 H ARG 15 -3.107 -7.927 8.955 107 HA ARG 15 HA ARG 15 -0.444 -8.999 9.221 108 HE ARG 15 HE ARG 15 -0.028 -13.901 7.415 109 HB2 ARG 15 2HB ARG 15 -2.640 -10.200 9.772 110 HB3 ARG 15 1HB ARG 15 -2.799 -10.456 8.042 111 HG2 ARG 15 2HG ARG 15 -0.439 -11.323 9.692 112 HG3 ARG 15 1HG ARG 15 -1.796 -12.359 9.264 113 HD2 ARG 15 2HD ARG 15 -0.882 -11.224 6.858 114 HD3 ARG 15 1HD ARG 15 0.558 -11.713 7.740 115 HH11 ARG 15 1HH1 ARG 15 -2.790 -11.891 6.714 116 HH12 ARG 15 2HH1 ARG 15 -3.738 -13.198 6.091 117 HH21 ARG 15 1HH2 ARG 15 -1.271 -15.619 6.592 118 HH22 ARG 15 2HH2 ARG 15 -2.876 -15.313 6.018 119 H TYR 16 H TYR 16 -2.641 -8.225 6.576 120 HA TYR 16 HA TYR 16 -1.018 -9.317 4.524 121 HD1 TYR 16 1HD TYR 16 -2.682 -10.669 4.658 122 HD2 TYR 16 2HD TYR 16 -5.170 -7.471 3.349 123 HE1 TYR 16 1HE TYR 16 -4.614 -12.162 4.687 124 HE2 TYR 16 2HE TYR 16 -7.110 -8.968 3.388 125 HH TYR 16 HH TYR 16 -7.671 -11.228 4.750 126 HB2 TYR 16 2HB TYR 16 -2.967 -7.008 4.333 127 HB3 TYR 16 1HB TYR 16 -2.271 -7.866 2.969 128 H VAL 17 H VAL 17 -0.763 -6.456 6.441 129 HA VAL 17 HA VAL 17 1.104 -5.159 4.643 130 HB VAL 17 HB VAL 17 -0.033 -4.442 7.316 131 HG11 VAL 17 1HG1 VAL 17 1.686 -2.391 6.929 132 HG12 VAL 17 2HG1 VAL 17 2.686 -3.742 6.411 133 HG13 VAL 17 3HG1 VAL 17 1.993 -3.726 8.034 134 HG21 VAL 17 3HG2 VAL 17 -0.567 -2.386 6.231 135 HG22 VAL 17 1HG2 VAL 17 -1.054 -3.718 5.178 136 HG23 VAL 17 2HG2 VAL 17 0.423 -2.814 4.836 137 H ASN 18 H ASN 18 1.168 -6.984 7.658 138 HA ASN 18 HA ASN 18 3.937 -6.731 8.132 139 HB2 ASN 18 2HB ASN 18 1.799 -8.587 9.123 140 HB3 ASN 18 1HB ASN 18 3.483 -8.873 9.541 141 HD21 ASN 18 1HD2 ASN 18 1.737 -5.809 9.200 142 HD22 ASN 18 2HD2 ASN 18 1.984 -5.293 10.827 143 H ARG 19 H ARG 19 2.041 -8.988 6.210 144 HA ARG 19 HA ARG 19 4.221 -10.836 5.906 145 HE ARG 19 HE ARG 19 2.461 -15.274 4.961 146 HB2 ARG 19 2HB ARG 19 1.542 -11.085 5.707 147 HB3 ARG 19 1HB ARG 19 1.968 -10.952 4.006 148 HG2 ARG 19 2HG ARG 19 2.592 -13.065 3.978 149 HG3 ARG 19 1HG ARG 19 3.779 -12.749 5.240 150 HD2 ARG 19 2HD ARG 19 2.130 -13.162 6.948 151 HD3 ARG 19 1HD ARG 19 0.873 -13.349 5.729 152 HH11 ARG 19 1HH1 ARG 19 1.668 -14.383 8.248 153 HH12 ARG 19 2HH1 ARG 19 1.868 -15.989 8.858 154 HH21 ARG 19 1HH2 ARG 19 2.723 -17.380 5.770 155 HH22 ARG 19 2HH2 ARG 19 2.467 -17.689 7.455 156 H LEU 20 H LEU 20 3.278 -7.968 4.273 157 HA LEU 20 HA LEU 20 4.234 -8.587 1.689 158 HG LEU 20 HG LEU 20 1.787 -6.719 2.863 159 HB2 LEU 20 2HB LEU 20 3.977 -5.919 3.059 160 HB3 LEU 20 1HB LEU 20 4.312 -6.130 1.353 161 HD11 LEU 20 1HD1 LEU 20 2.061 -5.299 0.241 162 HD12 LEU 20 2HD1 LEU 20 2.431 -4.463 1.748 163 HD13 LEU 20 3HD1 LEU 20 0.816 -5.121 1.478 164 HD21 LEU 20 3HD2 LEU 20 0.926 -7.600 0.631 165 HD22 LEU 20 1HD2 LEU 20 1.961 -8.682 1.557 166 HD23 LEU 20 2HD2 LEU 20 2.614 -7.806 0.173 167 H CYS 21 H CYS 21 5.828 -6.885 4.400 168 HA CYS 21 HA CYS 21 8.213 -6.331 3.065 169 HG CYS 21 HG CYS 21 7.171 -4.285 4.943 170 HB2 CYS 21 2HB CYS 21 8.116 -7.054 5.995 171 HB3 CYS 21 1HB CYS 21 9.204 -5.938 5.188 172 H LYS 22 H LYS 22 7.050 -9.263 4.545 173 HA LYS 22 HA LYS 22 9.588 -10.624 4.237 174 HB2 LYS 22 2HB LYS 22 6.878 -11.731 4.984 175 HB3 LYS 22 1HB LYS 22 8.418 -12.567 5.132 176 HG2 LYS 22 2HG LYS 22 8.894 -11.585 7.080 177 HG3 LYS 22 1HG LYS 22 8.367 -9.998 6.520 178 HD2 LYS 22 2HD LYS 22 6.924 -10.608 8.303 179 HD3 LYS 22 1HD LYS 22 5.999 -10.803 6.813 180 HE2 LYS 22 2HE LYS 22 5.520 -12.723 8.063 181 HE3 LYS 22 1HE LYS 22 6.723 -13.245 6.884 182 HZ1 LYS 22 3HZ LYS 22 8.378 -12.690 8.768 183 HZ2 LYS 22 1HZ LYS 22 7.512 -14.143 8.833 184 HZ3 LYS 22 2HZ LYS 22 7.030 -12.826 9.780 185 H HIS 23 H HIS 23 6.747 -10.051 2.387 186 HA HIS 23 HA HIS 23 7.065 -12.339 0.664 187 HD1 HIS 23 1HD HIS 23 6.239 -11.625 -2.197 188 HD2 HIS 23 2HD HIS 23 3.011 -12.778 0.153 189 HE1 HIS 23 1HE HIS 23 4.892 -13.196 -3.628 190 HE2 HIS 23 2HE HIS 23 2.900 -13.815 -2.216 191 HB2 HIS 23 2HB HIS 23 4.853 -11.191 1.322 192 HB3 HIS 23 1HB HIS 23 5.276 -9.989 0.108 193 H TRP 24 H TRP 24 7.082 -8.785 0.055 194 HA TRP 24 HA TRP 24 8.485 -9.288 -2.446 195 HD1 TRP 24 HD TRP 24 4.907 -6.494 -1.599 196 HE1 TRP 24 1HE TRP 24 3.166 -7.541 -3.180 197 HE3 TRP 24 3HE TRP 24 8.012 -9.449 -4.385 198 HZ2 TRP 24 2HZ TRP 24 3.116 -9.376 -5.324 199 HZ3 TRP 24 3HZ TRP 24 7.038 -10.820 -6.181 200 HH2 TRP 24 HH TRP 24 4.640 -10.784 -6.639 201 HB2 TRP 24 2HB TRP 24 7.413 -6.752 -1.206 202 HB3 TRP 24 1HB TRP 24 8.219 -6.827 -2.769 203 H GLY 25 H GLY 25 9.397 -8.677 0.778 204 HA2 GLY 25 2HA GLY 25 11.638 -6.988 0.318 205 HA3 GLY 25 1HA GLY 25 11.369 -7.982 1.736 206 H HIS 26 H HIS 26 12.163 -8.440 -1.708 207 HA HIS 26 HA HIS 26 14.078 -10.514 -0.875 208 HD1 HIS 26 1HD HIS 26 14.242 -13.173 -3.644 209 HD2 HIS 26 2HD HIS 26 11.437 -12.206 -0.734 210 HE1 HIS 26 1HE HIS 26 13.584 -15.360 -2.593 211 HE2 HIS 26 2HE HIS 26 11.951 -14.742 -0.776 212 HB2 HIS 26 2HB HIS 26 12.127 -10.374 -3.032 213 HB3 HIS 26 1HB HIS 26 13.738 -10.760 -3.628 214 H LYS 27 H LYS 27 13.634 -7.557 -2.675 215 HA LYS 27 HA LYS 27 16.535 -7.230 -2.796 216 HB2 LYS 27 2HB LYS 27 16.095 -8.296 -4.916 217 HB3 LYS 27 1HB LYS 27 14.750 -7.217 -5.242 218 HG2 LYS 27 2HG LYS 27 17.279 -5.810 -4.832 219 HG3 LYS 27 1HG LYS 27 17.304 -6.936 -6.189 220 HD2 LYS 27 2HD LYS 27 14.972 -5.106 -5.884 221 HD3 LYS 27 1HD LYS 27 16.493 -4.452 -6.496 222 HE2 LYS 27 2HE LYS 27 15.893 -6.935 -7.805 223 HE3 LYS 27 1HE LYS 27 14.513 -5.844 -7.925 224 HZ1 LYS 27 3HZ LYS 27 17.181 -4.774 -8.491 225 HZ2 LYS 27 1HZ LYS 27 15.684 -4.348 -9.156 226 HZ3 LYS 27 2HZ LYS 27 16.458 -5.767 -9.656 227 H PHE 28 H PHE 28 14.041 -6.004 -1.520 228 HA PHE 28 HA PHE 28 14.767 -3.245 -2.139 229 HD1 PHE 28 2HD PHE 28 13.399 -1.275 -3.616 230 HD2 PHE 28 1HD PHE 28 12.193 -5.272 -4.442 231 HE1 PHE 28 2HE PHE 28 13.586 -0.829 -6.028 232 HE2 PHE 28 1HE PHE 28 12.378 -4.833 -6.856 233 HZ PHE 28 HZ PHE 28 13.075 -2.610 -7.652 234 HB2 PHE 28 2HB PHE 28 11.999 -4.406 -2.258 235 HB3 PHE 28 1HB PHE 28 12.255 -2.696 -1.923 236 H GLU 29 H GLU 29 14.222 -1.730 -0.483 237 HA GLU 29 HA GLU 29 14.564 -2.858 2.141 238 HB2 GLU 29 2HB GLU 29 14.396 -0.402 2.833 239 HB3 GLU 29 1HB GLU 29 15.744 -0.854 1.798 240 HG2 GLU 29 2HG GLU 29 13.372 -0.016 0.327 241 HG3 GLU 29 1HG GLU 29 14.036 1.229 1.384 242 H VAL 30 H VAL 30 12.850 -3.823 3.036 243 HA VAL 30 HA VAL 30 10.286 -2.382 2.978 244 HB VAL 30 HB VAL 30 9.509 -4.864 3.686 245 HG11 VAL 30 1HG1 VAL 30 8.341 -3.852 1.973 246 HG12 VAL 30 2HG1 VAL 30 9.102 -5.220 1.165 247 HG13 VAL 30 3HG1 VAL 30 9.787 -3.606 0.992 248 HG21 VAL 30 3HG2 VAL 30 10.664 -6.568 2.567 249 HG22 VAL 30 1HG2 VAL 30 11.907 -5.634 3.397 250 HG23 VAL 30 2HG2 VAL 30 11.656 -5.422 1.663 251 H GLU 31 H GLU 31 9.716 -1.508 4.860 252 HA GLU 31 HA GLU 31 10.879 -2.558 7.328 253 HB2 GLU 31 2HB GLU 31 10.334 0.047 6.382 254 HB3 GLU 31 1HB GLU 31 9.234 -0.228 7.725 255 HG2 GLU 31 2HG GLU 31 10.916 -0.370 9.258 256 HG3 GLU 31 1HG GLU 31 12.091 -0.953 8.080 257 H LEU 32 H LEU 32 9.692 -3.496 8.895 258 HA LEU 32 HA LEU 32 6.781 -3.697 8.434 259 HG LEU 32 HG LEU 32 5.807 -6.296 8.477 260 HB2 LEU 32 2HB LEU 32 8.093 -5.825 8.091 261 HB3 LEU 32 1HB LEU 32 8.468 -5.805 9.803 262 HD11 LEU 32 1HD1 LEU 32 7.837 -7.866 9.800 263 HD12 LEU 32 2HD1 LEU 32 6.425 -8.392 8.885 264 HD13 LEU 32 3HD1 LEU 32 6.278 -8.036 10.604 265 HD21 LEU 32 3HD2 LEU 32 4.917 -6.368 10.860 266 HD22 LEU 32 1HD2 LEU 32 5.184 -4.768 10.173 267 HD23 LEU 32 2HD2 LEU 32 6.343 -5.445 11.318 268 H THR 33 H THR 33 5.786 -2.430 9.801 269 HA THR 33 HA THR 33 6.528 -2.596 12.669 270 HB THR 33 HB THR 33 5.585 -0.161 12.706 271 HG1 THR 33 1HG THR 33 6.393 -0.384 9.998 272 HG21 THR 33 3HG2 THR 33 7.760 -0.096 13.300 273 HG22 THR 33 1HG2 THR 33 7.910 0.655 11.711 274 HG23 THR 33 2HG2 THR 33 8.285 -1.057 11.916 275 HA PRO 34 HA PRO 34 2.233 -3.463 13.193 276 HB2 PRO 34 2HB PRO 34 1.677 -2.427 15.614 277 HB3 PRO 34 1HB PRO 34 2.719 -3.833 15.398 278 HG2 PRO 34 2HG PRO 34 3.463 -0.991 15.918 279 HG3 PRO 34 1HG PRO 34 4.187 -2.475 16.561 280 HD2 PRO 34 2HD PRO 34 5.227 -1.006 14.471 281 HD3 PRO 34 1HD PRO 34 5.554 -2.729 14.748 282 H GLU 35 H GLU 35 2.479 -1.426 11.472 283 HA GLU 35 HA GLU 35 0.091 0.084 11.921 284 HB2 GLU 35 2HB GLU 35 2.757 1.505 11.797 285 HB3 GLU 35 1HB GLU 35 1.201 2.304 11.605 286 HG2 GLU 35 2HG GLU 35 0.630 1.329 13.897 287 HG3 GLU 35 1HG GLU 35 2.358 1.007 14.042 288 H ARG 36 H ARG 36 2.980 -0.435 9.890 289 HA ARG 36 HA ARG 36 1.390 -0.719 7.570 290 HE ARG 36 HE ARG 36 4.224 5.070 7.478 291 HB2 ARG 36 2HB ARG 36 2.333 1.261 6.337 292 HB3 ARG 36 1HB ARG 36 1.165 1.654 7.590 293 HG2 ARG 36 2HG ARG 36 3.264 1.944 9.093 294 HG3 ARG 36 1HG ARG 36 4.119 2.081 7.556 295 HD2 ARG 36 2HD ARG 36 2.380 3.844 6.944 296 HD3 ARG 36 1HD ARG 36 1.943 3.837 8.651 297 HH11 ARG 36 1HH1 ARG 36 3.094 3.471 10.368 298 HH12 ARG 36 2HH1 ARG 36 4.236 4.262 11.402 299 HH21 ARG 36 1HH2 ARG 36 5.726 6.112 8.838 300 HH22 ARG 36 2HH2 ARG 36 5.730 5.762 10.534 301 H GLY 37 H GLY 37 2.696 -0.773 5.551 302 HA2 GLY 37 2HA GLY 37 5.322 -2.002 6.112 303 HA3 GLY 37 1HA GLY 37 4.283 -2.433 4.762 304 H PHE 38 H PHE 38 7.027 -0.669 5.520 305 HA PHE 38 HA PHE 38 6.570 1.374 3.457 306 HD1 PHE 38 1HD PHE 38 7.185 3.865 3.668 307 HD2 PHE 38 2HD PHE 38 10.794 1.869 4.757 308 HE1 PHE 38 1HE PHE 38 8.495 5.694 2.693 309 HE2 PHE 38 2HE PHE 38 12.103 3.688 3.755 310 HZ PHE 38 HZ PHE 38 10.955 5.605 2.718 311 HB2 PHE 38 2HB PHE 38 7.422 2.102 5.643 312 HB3 PHE 38 1HB PHE 38 8.787 1.011 5.490 313 H ILE 39 H ILE 39 7.299 1.065 1.487 314 HA ILE 39 HA ILE 39 9.700 -0.604 1.071 315 HB ILE 39 HB ILE 39 7.472 -0.750 -0.930 316 HG12 ILE 39 2HG1 ILE 39 7.608 -2.256 1.681 317 HG13 ILE 39 1HG1 ILE 39 6.219 -1.481 0.928 318 HG21 ILE 39 1HG2 ILE 39 8.887 -3.188 -0.581 319 HG22 ILE 39 2HG2 ILE 39 10.064 -1.876 -0.607 320 HG23 ILE 39 3HG2 ILE 39 8.933 -2.073 -1.945 321 HD11 ILE 39 3HD1 ILE 39 6.119 -3.942 0.915 322 HD12 ILE 39 1HD1 ILE 39 7.547 -3.967 -0.119 323 HD13 ILE 39 2HD1 ILE 39 6.052 -3.232 -0.697 324 H ASP 40 H ASP 40 11.101 1.002 0.411 325 HA ASP 40 HA ASP 40 10.106 2.877 -1.618 326 HB2 ASP 40 2HB ASP 40 12.328 4.096 -1.005 327 HB3 ASP 40 1HB ASP 40 10.941 4.219 0.067 328 H PHE 41 H PHE 41 10.915 2.957 -3.577 329 HA PHE 41 HA PHE 41 12.965 0.978 -4.308 330 HD1 PHE 41 1HD PHE 41 11.079 -0.103 -3.718 331 HD2 PHE 41 2HD PHE 41 10.480 0.391 -7.906 332 HE1 PHE 41 1HE PHE 41 9.953 -2.281 -3.810 333 HE2 PHE 41 2HE PHE 41 9.355 -1.794 -8.001 334 HZ PHE 41 HZ PHE 41 9.090 -3.132 -5.951 335 HB2 PHE 41 2HB PHE 41 10.775 2.398 -5.798 336 HB3 PHE 41 1HB PHE 41 12.137 1.730 -6.681 337 H GLY 42 H GLY 42 13.139 3.935 -3.228 338 HA2 GLY 42 2HA GLY 42 15.239 5.128 -3.436 339 HA3 GLY 42 1HA GLY 42 15.217 4.759 -5.156 340 H ASP 43 H ASP 43 14.068 6.060 -6.549 341 HA ASP 43 HA ASP 43 13.193 8.618 -5.467 342 HB2 ASP 43 2HB ASP 43 14.510 7.947 -7.781 343 HB3 ASP 43 1HB ASP 43 12.857 8.143 -8.356 344 H SER 44 H SER 44 11.576 6.858 -4.474 345 HA SER 44 HA SER 44 9.002 7.546 -5.041 346 HG SER 44 HG SER 44 10.751 4.766 -6.392 347 HB2 SER 44 2HB SER 44 8.427 5.178 -6.212 348 HB3 SER 44 1HB SER 44 8.761 6.640 -7.140 349 H ASN 45 H ASN 45 7.409 6.112 -3.848 350 HA ASN 45 HA ASN 45 8.603 3.979 -2.281 351 HB2 ASN 45 2HB ASN 45 7.296 6.230 -0.765 352 HB3 ASN 45 1HB ASN 45 8.316 4.938 -0.143 353 HD21 ASN 45 1HD2 ASN 45 8.419 7.726 -2.330 354 HD22 ASN 45 2HD2 ASN 45 10.034 8.191 -1.932 355 H CYS 46 H CYS 46 6.921 2.947 -0.811 356 HA CYS 46 HA CYS 46 4.172 3.478 -1.573 357 HG CYS 46 HG CYS 46 6.228 1.142 -4.017 358 HB2 CYS 46 2HB CYS 46 4.300 0.701 -1.810 359 HB3 CYS 46 1HB CYS 46 4.079 1.861 -3.116 360 H GLU 47 H GLU 47 3.463 3.814 0.454 361 HA GLU 47 HA GLU 47 4.166 1.888 2.547 362 HB2 GLU 47 2HB GLU 47 4.294 4.556 2.644 363 HB3 GLU 47 1HB GLU 47 2.614 4.375 3.122 364 HG2 GLU 47 2HG GLU 47 3.148 3.496 5.151 365 HG3 GLU 47 1HG GLU 47 4.629 2.738 4.569 366 H LEU 48 H LEU 48 2.474 1.030 3.928 367 HA LEU 48 HA LEU 48 -0.249 1.254 2.885 368 HG LEU 48 HG LEU 48 -0.932 -2.030 3.788 369 HB2 LEU 48 2HB LEU 48 0.674 -0.642 1.671 370 HB3 LEU 48 1HB LEU 48 1.219 -1.379 3.163 371 HD11 LEU 48 1HD1 LEU 48 -2.939 -1.223 2.356 372 HD12 LEU 48 2HD1 LEU 48 -1.875 0.121 1.944 373 HD13 LEU 48 3HD1 LEU 48 -2.300 -0.185 3.629 374 HD21 LEU 48 3HD2 LEU 48 -1.952 -2.843 1.482 375 HD22 LEU 48 1HD2 LEU 48 -0.505 -3.571 2.179 376 HD23 LEU 48 2HD2 LEU 48 -0.358 -2.367 0.900 377 H LEU 49 H LEU 49 -1.536 1.687 4.528 378 HA LEU 49 HA LEU 49 -0.725 0.926 7.245 379 HG LEU 49 HG LEU 49 -1.980 1.832 9.028 380 HB2 LEU 49 2HB LEU 49 -1.606 3.273 6.536 381 HB3 LEU 49 1HB LEU 49 -3.181 2.507 6.586 382 HD11 LEU 49 1HD1 LEU 49 -0.666 3.483 9.704 383 HD12 LEU 49 2HD1 LEU 49 -1.861 4.697 9.248 384 HD13 LEU 49 3HD1 LEU 49 -0.694 4.120 8.060 385 HD21 LEU 49 3HD2 LEU 49 -4.327 2.229 8.755 386 HD22 LEU 49 1HD2 LEU 49 -4.040 3.904 8.285 387 HD23 LEU 49 2HD2 LEU 49 -3.706 3.383 9.936 388 H ALA 50 H ALA 50 -1.703 -0.687 8.360 389 HA ALA 50 HA ALA 50 -4.266 -1.671 7.356 390 HB1 ALA 50 3HB ALA 50 -3.482 -3.954 7.282 391 HB2 ALA 50 1HB ALA 50 -1.863 -3.433 7.735 392 HB3 ALA 50 2HB ALA 50 -2.558 -2.935 6.192 393 H HIS 51 H HIS 51 -5.605 -1.647 8.979 394 HA HIS 51 HA HIS 51 -4.683 -2.519 11.602 395 HD1 HIS 51 1HD HIS 51 -7.604 0.078 13.734 396 HD2 HIS 51 2HD HIS 51 -3.717 -1.316 13.252 397 HE1 HIS 51 1HE HIS 51 -6.516 0.327 15.985 398 HE2 HIS 51 2HE HIS 51 -4.192 -0.596 15.688 399 HB2 HIS 51 2HB HIS 51 -5.851 -0.103 10.980 400 HB3 HIS 51 1HB HIS 51 -7.236 -1.049 11.501 401 HA PRO 52 HA PRO 52 -7.255 -6.059 11.836 402 HB2 PRO 52 2HB PRO 52 -8.950 -4.599 13.823 403 HB3 PRO 52 1HB PRO 52 -8.283 -6.236 13.896 404 HG2 PRO 52 2HG PRO 52 -7.118 -4.275 15.236 405 HG3 PRO 52 1HG PRO 52 -6.136 -5.480 14.385 406 HD2 PRO 52 2HD PRO 52 -6.720 -2.653 13.646 407 HD3 PRO 52 1HD PRO 52 -5.254 -3.606 13.367 408 H ASP 53 H ASP 53 -8.880 -3.007 11.179 409 HA ASP 53 HA ASP 53 -10.826 -4.543 9.638 410 HB2 ASP 53 2HB ASP 53 -11.768 -2.273 11.385 411 HB3 ASP 53 1HB ASP 53 -12.740 -3.462 10.524 412 H HIS 54 H HIS 54 -8.638 -2.054 9.557 413 HA HIS 54 HA HIS 54 -9.931 -1.121 7.131 414 HD1 HIS 54 1HD HIS 54 -10.179 0.495 11.170 415 HD2 HIS 54 2HD HIS 54 -7.001 1.877 8.875 416 HE1 HIS 54 1HE HIS 54 -8.536 1.463 12.810 417 HE2 HIS 54 2HE HIS 54 -6.576 2.198 11.407 418 HB2 HIS 54 2HB HIS 54 -9.477 1.266 7.625 419 HB3 HIS 54 1HB HIS 54 -10.681 0.546 8.676 420 H VAL 55 H VAL 55 -8.488 0.001 5.625 421 HA VAL 55 HA VAL 55 -5.648 -0.331 6.208 422 HB VAL 55 HB VAL 55 -6.787 -2.297 4.877 423 HG11 VAL 55 1HG1 VAL 55 -7.582 -0.480 3.154 424 HG12 VAL 55 2HG1 VAL 55 -7.088 -2.085 2.623 425 HG13 VAL 55 3HG1 VAL 55 -5.969 -0.730 2.488 426 HG21 VAL 55 3HG2 VAL 55 -4.179 -1.115 3.954 427 HG22 VAL 55 1HG2 VAL 55 -4.678 -2.804 3.839 428 HG23 VAL 55 2HG2 VAL 55 -4.396 -2.074 5.420 429 H LEU 56 H LEU 56 -4.372 1.196 5.320 430 HA LEU 56 HA LEU 56 -5.655 3.176 3.549 431 HG LEU 56 HG LEU 56 -6.393 4.747 5.535 432 HB2 LEU 56 2HB LEU 56 -4.341 3.528 6.100 433 HB3 LEU 56 1HB LEU 56 -3.463 4.400 4.864 434 HD11 LEU 56 1HD1 LEU 56 -5.819 6.735 6.634 435 HD12 LEU 56 2HD1 LEU 56 -4.176 6.718 5.992 436 HD13 LEU 56 3HD1 LEU 56 -4.659 5.539 7.214 437 HD21 LEU 56 3HD2 LEU 56 -4.661 5.831 3.373 438 HD22 LEU 56 1HD2 LEU 56 -5.805 6.930 4.138 439 HD23 LEU 56 2HD2 LEU 56 -6.386 5.460 3.362 440 H MET 57 H MET 57 -4.450 3.971 1.840 441 HA MET 57 HA MET 57 -1.852 2.664 1.408 442 HB2 MET 57 2HB MET 57 -3.750 3.249 -0.841 443 HB3 MET 57 1HB MET 57 -2.377 2.148 -0.816 444 HG2 MET 57 2HG MET 57 -3.568 0.671 0.724 445 HG3 MET 57 1HG MET 57 -4.942 1.780 0.714 446 HE1 MET 57 3HE MET 57 -6.841 0.184 -0.163 447 HE2 MET 57 1HE MET 57 -7.100 0.390 -1.895 448 HE3 MET 57 2HE MET 57 -6.778 1.794 -0.878 449 H ILE 58 H ILE 58 -0.293 4.176 1.426 450 HA ILE 58 HA ILE 58 -0.851 6.733 0.088 451 HB ILE 58 HB ILE 58 0.954 6.338 2.481 452 HG12 ILE 58 2HG1 ILE 58 -1.897 6.646 2.376 453 HG13 ILE 58 1HG1 ILE 58 -0.866 6.497 3.785 454 HG21 ILE 58 1HG2 ILE 58 1.618 8.118 0.928 455 HG22 ILE 58 2HG2 ILE 58 1.131 8.747 2.501 456 HG23 ILE 58 3HG2 ILE 58 0.031 8.862 1.125 457 HD11 ILE 58 3HD1 ILE 58 -1.166 9.140 2.421 458 HD12 ILE 58 1HD1 ILE 58 -0.732 8.781 4.092 459 HD13 ILE 58 2HD1 ILE 58 -2.394 8.557 3.547 460 H LEU 59 H LEU 59 0.665 7.423 -1.355 461 HA LEU 59 HA LEU 59 3.122 5.814 -1.548 462 HG LEU 59 HG LEU 59 1.382 6.890 -5.294 463 HB2 LEU 59 2HB LEU 59 3.018 5.758 -3.869 464 HB3 LEU 59 1HB LEU 59 1.371 5.452 -3.370 465 HD11 LEU 59 1HD1 LEU 59 0.672 8.452 -2.834 466 HD12 LEU 59 2HD1 LEU 59 -0.344 7.235 -3.605 467 HD13 LEU 59 3HD1 LEU 59 0.057 8.726 -4.460 468 HD21 LEU 59 3HD2 LEU 59 3.703 7.945 -4.383 469 HD22 LEU 59 1HD2 LEU 59 2.564 9.228 -3.991 470 HD23 LEU 59 2HD2 LEU 59 2.705 8.658 -5.647 471 H ASN 60 H ASN 60 5.019 6.840 -2.059 472 HA ASN 60 HA ASN 60 4.900 9.786 -2.141 473 HB2 ASN 60 2HB ASN 60 7.186 8.208 -0.949 474 HB3 ASN 60 1HB ASN 60 6.883 9.938 -0.819 475 HD21 ASN 60 1HD2 ASN 60 7.356 8.806 1.466 476 HD22 ASN 60 2HD2 ASN 60 5.921 8.538 2.390 477 H SER 61 H SER 61 5.188 10.171 -4.264 478 HA SER 61 HA SER 61 7.696 9.176 -5.445 479 HG SER 61 HG SER 61 5.697 7.168 -5.173 480 HB2 SER 61 2HB SER 61 5.431 9.011 -7.312 481 HB3 SER 61 1HB SER 61 6.782 7.908 -7.077 482 HA PRO 62 HA PRO 62 7.943 13.335 -6.977 483 HB2 PRO 62 2HB PRO 62 9.930 12.949 -8.760 484 HB3 PRO 62 1HB PRO 62 10.177 12.995 -7.014 485 HG2 PRO 62 2HG PRO 62 9.888 10.606 -8.802 486 HG3 PRO 62 1HG PRO 62 11.100 10.914 -7.540 487 HD2 PRO 62 2HD PRO 62 8.966 9.376 -7.077 488 HD3 PRO 62 1HD PRO 62 9.608 10.457 -5.828 489 H ASP 63 H ASP 63 6.888 10.690 -8.899 490 HA ASP 63 HA ASP 63 5.917 12.622 -10.869 491 HB2 ASP 63 2HB ASP 63 7.777 11.836 -12.055 492 HB3 ASP 63 1HB ASP 63 7.592 10.194 -11.454 493 H GLU 64 H GLU 64 3.906 12.043 -11.845 494 HA GLU 64 HA GLU 64 2.218 10.440 -10.223 495 HB2 GLU 64 2HB GLU 64 1.843 11.722 -12.901 496 HB3 GLU 64 1HB GLU 64 0.745 10.431 -12.444 497 HG2 GLU 64 2HG GLU 64 -0.397 12.177 -11.582 498 HG3 GLU 64 1HG GLU 64 0.620 11.794 -10.189 499 H ASP 65 H ASP 65 3.889 9.585 -13.284 500 HA ASP 65 HA ASP 65 2.781 7.108 -13.767 501 HB2 ASP 65 2HB ASP 65 4.631 8.265 -15.068 502 HB3 ASP 65 1HB ASP 65 5.750 7.652 -13.853 503 H SER 66 H SER 66 5.558 7.852 -11.702 504 HA SER 66 HA SER 66 5.822 5.311 -10.509 505 HG SER 66 HG SER 66 8.662 7.364 -10.169 506 HB2 SER 66 2HB SER 66 6.613 8.081 -9.606 507 HB3 SER 66 1HB SER 66 6.994 6.635 -8.669 508 H LEU 67 H LEU 67 4.434 8.297 -9.313 509 HA LEU 67 HA LEU 67 3.307 7.680 -6.955 510 HG LEU 67 HG LEU 67 1.073 9.385 -6.521 511 HB2 LEU 67 2HB LEU 67 3.162 9.881 -7.769 512 HB3 LEU 67 1HB LEU 67 2.359 9.382 -9.229 513 HD11 LEU 67 1HD1 LEU 67 1.535 11.501 -8.444 514 HD12 LEU 67 2HD1 LEU 67 1.050 11.586 -6.750 515 HD13 LEU 67 3HD1 LEU 67 -0.159 11.306 -8.002 516 HD21 LEU 67 3HD2 LEU 67 -0.992 9.463 -8.122 517 HD22 LEU 67 1HD2 LEU 67 -0.239 7.924 -7.712 518 HD23 LEU 67 2HD2 LEU 67 0.124 8.702 -9.254 519 H ALA 68 H ALA 68 1.479 7.330 -10.017 520 HA ALA 68 HA ALA 68 -0.648 5.921 -8.780 521 HB1 ALA 68 3HB ALA 68 -1.247 6.921 -10.787 522 HB2 ALA 68 1HB ALA 68 -1.099 5.225 -11.246 523 HB3 ALA 68 2HB ALA 68 0.199 6.358 -11.623 524 H HIS 69 H HIS 69 2.321 4.910 -10.392 525 HA HIS 69 HA HIS 69 1.823 2.187 -10.671 526 HD1 HIS 69 1HD HIS 69 2.939 0.279 -10.084 527 HD2 HIS 69 2HD HIS 69 6.416 1.864 -11.717 528 HE1 HIS 69 1HE HIS 69 4.375 -1.703 -10.660 529 HE2 HIS 69 2HE HIS 69 6.436 -0.722 -11.726 530 HB2 HIS 69 2HB HIS 69 3.834 3.410 -11.536 531 HB3 HIS 69 1HB HIS 69 4.471 3.425 -9.895 532 H MET 70 H MET 70 2.828 4.069 -7.900 533 HA MET 70 HA MET 70 3.204 1.771 -6.186 534 HB2 MET 70 2HB MET 70 2.902 4.583 -5.182 535 HB3 MET 70 1HB MET 70 3.916 3.301 -4.542 536 HG2 MET 70 2HG MET 70 4.641 4.103 -7.252 537 HG3 MET 70 1HG MET 70 4.759 5.403 -6.070 538 HE1 MET 70 3HE MET 70 6.853 2.742 -7.754 539 HE2 MET 70 1HE MET 70 5.649 1.767 -6.909 540 HE3 MET 70 2HE MET 70 7.347 1.675 -6.441 541 H GLN 71 H GLN 71 0.843 4.509 -6.114 542 HA GLN 71 HA GLN 71 -0.750 3.455 -4.114 543 HB2 GLN 71 2HB GLN 71 -2.653 4.774 -5.324 544 HB3 GLN 71 1HB GLN 71 -1.348 5.629 -4.527 545 HG2 GLN 71 2HG GLN 71 -0.784 6.618 -6.422 546 HG3 GLN 71 1HG GLN 71 -0.717 5.084 -7.282 547 HE21 GLN 71 1HE2 GLN 71 -3.153 4.166 -7.409 548 HE22 GLN 71 2HE2 GLN 71 -4.241 5.278 -8.162 549 H ASN 72 H ASN 72 -0.601 2.544 -7.469 550 HA ASN 72 HA ASN 72 -3.100 1.099 -7.381 551 HB2 ASN 72 2HB ASN 72 -1.840 2.183 -9.447 552 HB3 ASN 72 1HB ASN 72 -1.087 0.592 -9.521 553 HD21 ASN 72 1HD2 ASN 72 -2.636 -1.263 -9.448 554 HD22 ASN 72 2HD2 ASN 72 -4.099 -1.102 -10.351 555 H VAL 73 H VAL 73 0.358 0.277 -7.378 556 HA VAL 73 HA VAL 73 0.325 -2.438 -7.532 557 HB VAL 73 HB VAL 73 2.026 -0.569 -5.916 558 HG11 VAL 73 1HG1 VAL 73 2.223 -3.576 -5.879 559 HG12 VAL 73 2HG1 VAL 73 1.978 -2.501 -4.502 560 HG13 VAL 73 3HG1 VAL 73 3.514 -2.489 -5.368 561 HG21 VAL 73 3HG2 VAL 73 2.070 -1.241 -8.520 562 HG22 VAL 73 1HG2 VAL 73 3.159 -2.465 -7.868 563 HG23 VAL 73 2HG2 VAL 73 3.501 -0.753 -7.612 564 H VAL 74 H VAL 74 -0.426 -0.477 -4.688 565 HA VAL 74 HA VAL 74 -0.816 -2.695 -2.935 566 HB VAL 74 HB VAL 74 -1.841 0.137 -2.712 567 HG11 VAL 74 1HG1 VAL 74 -2.311 -0.298 -0.406 568 HG12 VAL 74 2HG1 VAL 74 -1.644 -1.923 -0.522 569 HG13 VAL 74 3HG1 VAL 74 -3.137 -1.521 -1.369 570 HG21 VAL 74 3HG2 VAL 74 0.752 -1.058 -2.256 571 HG22 VAL 74 1HG2 VAL 74 0.119 -0.315 -0.789 572 HG23 VAL 74 2HG2 VAL 74 0.282 0.642 -2.260 573 H ALA 75 H ALA 75 -3.072 -0.634 -4.802 574 HA ALA 75 HA ALA 75 -5.484 -1.655 -3.965 575 HB1 ALA 75 3HB ALA 75 -5.382 0.193 -5.522 576 HB2 ALA 75 1HB ALA 75 -6.352 -1.105 -6.218 577 HB3 ALA 75 2HB ALA 75 -4.695 -0.852 -6.767 578 H ASP 76 H ASP 76 -3.031 -3.110 -5.911 579 HA ASP 76 HA ASP 76 -4.643 -5.264 -6.912 580 HB2 ASP 76 2HB ASP 76 -2.339 -4.259 -7.770 581 HB3 ASP 76 1HB ASP 76 -1.674 -5.502 -6.714 582 H HIS 77 H HIS 77 -2.343 -4.845 -4.249 583 HA HIS 77 HA HIS 77 -2.243 -7.509 -3.403 584 HD1 HIS 77 1HD HIS 77 -0.643 -6.283 -4.711 585 HD2 HIS 77 2HD HIS 77 0.940 -4.603 -1.256 586 HE1 HIS 77 1HE HIS 77 1.640 -5.450 -5.354 587 HE2 HIS 77 2HE HIS 77 2.545 -4.363 -3.269 588 HB2 HIS 77 2HB HIS 77 -2.002 -5.075 -1.627 589 HB3 HIS 77 1HB HIS 77 -1.359 -6.677 -1.316 590 H LEU 78 H LEU 78 -4.498 -4.914 -2.507 591 HA LEU 78 HA LEU 78 -5.865 -6.394 -0.519 592 HG LEU 78 HG LEU 78 -5.066 -3.166 -0.747 593 HB2 LEU 78 2HB LEU 78 -6.721 -4.024 -2.183 594 HB3 LEU 78 1HB LEU 78 -7.664 -4.676 -0.861 595 HD11 LEU 78 1HD1 LEU 78 -7.298 -2.028 -0.669 596 HD12 LEU 78 2HD1 LEU 78 -6.250 -1.729 0.717 597 HD13 LEU 78 3HD1 LEU 78 -7.594 -2.865 0.855 598 HD21 LEU 78 3HD2 LEU 78 -6.123 -5.168 1.202 599 HD22 LEU 78 1HD2 LEU 78 -5.320 -3.718 1.802 600 HD23 LEU 78 2HD2 LEU 78 -4.457 -4.825 0.736 601 H GLN 79 H GLN 79 -5.947 -6.468 -3.954 602 HA GLN 79 HA GLN 79 -8.614 -7.401 -4.273 603 HB2 GLN 79 2HB GLN 79 -6.232 -7.693 -6.109 604 HB3 GLN 79 1HB GLN 79 -7.905 -8.001 -6.554 605 HG2 GLN 79 2HG GLN 79 -7.619 -5.374 -5.418 606 HG3 GLN 79 1HG GLN 79 -6.507 -5.604 -6.764 607 HE21 GLN 79 1HE2 GLN 79 -8.400 -3.755 -7.064 608 HE22 GLN 79 2HE2 GLN 79 -9.628 -4.289 -8.154 609 H ARG 80 H ARG 80 -5.528 -9.159 -4.667 610 HA ARG 80 HA ARG 80 -6.644 -11.690 -4.888 611 HE ARG 80 HE ARG 80 -2.254 -12.608 -4.487 612 HB2 ARG 80 2HB ARG 80 -4.341 -12.457 -3.986 613 HB3 ARG 80 1HB ARG 80 -4.426 -11.606 -5.521 614 HG2 ARG 80 2HG ARG 80 -3.086 -10.020 -4.781 615 HG3 ARG 80 1HG ARG 80 -4.115 -9.726 -3.378 616 HD2 ARG 80 2HD ARG 80 -1.806 -10.353 -2.762 617 HD3 ARG 80 1HD ARG 80 -3.010 -11.485 -2.150 618 HH11 ARG 80 1HH1 ARG 80 -0.468 -11.422 -1.733 619 HH12 ARG 80 2HH1 ARG 80 0.833 -12.546 -1.936 620 HH21 ARG 80 1HH2 ARG 80 -0.542 -14.086 -4.755 621 HH22 ARG 80 2HH2 ARG 80 0.792 -14.058 -3.652 622 H MET 81 H MET 81 -6.021 -9.810 -2.004 623 HA MET 81 HA MET 81 -6.301 -12.080 -0.257 624 HB2 MET 81 2HB MET 81 -6.168 -10.460 1.569 625 HB3 MET 81 1HB MET 81 -4.867 -10.260 0.415 626 HG2 MET 81 2HG MET 81 -5.582 -8.103 1.058 627 HG3 MET 81 1HG MET 81 -6.142 -8.366 -0.590 628 HE1 MET 81 3HE MET 81 -6.574 -6.778 2.206 629 HE2 MET 81 1HE MET 81 -8.072 -7.149 3.058 630 HE3 MET 81 2HE MET 81 -8.083 -6.014 1.710 631 H ALA 82 H ALA 82 -8.484 -9.981 -1.816 632 HA ALA 82 HA ALA 82 -10.623 -10.768 0.070 633 HB1 ALA 82 3HB ALA 82 -11.887 -8.818 -0.938 634 HB2 ALA 82 1HB ALA 82 -10.365 -8.335 -1.683 635 HB3 ALA 82 2HB ALA 82 -10.502 -8.410 0.074 636 H ASN 83 H ASN 83 -10.006 -10.150 -3.386 637 HA ASN 83 HA ASN 83 -10.756 -11.196 -5.262 638 HB2 ASN 83 2HB ASN 83 -10.885 -13.229 -3.236 639 HB3 ASN 83 1HB ASN 83 -12.265 -13.400 -4.318 640 HD21 ASN 83 1HD2 ASN 83 -9.599 -14.840 -3.852 641 HD22 ASN 83 2HD2 ASN 83 -8.984 -15.063 -5.451 642 H SER 84 H SER 84 -13.092 -12.499 -5.880 643 HA SER 84 HA SER 84 -15.323 -12.235 -6.257 644 HG SER 84 HG SER 84 -16.448 -12.942 -3.836 645 HB2 SER 84 2HB SER 84 -15.017 -11.382 -3.561 646 HB3 SER 84 1HB SER 84 -16.090 -10.232 -4.358 647 H GLU 85 H GLU 85 -14.644 -8.997 -4.963 648 HA GLU 85 HA GLU 85 -15.335 -7.897 -7.602 649 HB2 GLU 85 2HB GLU 85 -15.959 -5.859 -6.462 650 HB3 GLU 85 1HB GLU 85 -16.764 -7.216 -5.689 651 HG2 GLU 85 2HG GLU 85 -14.663 -7.132 -4.108 652 HG3 GLU 85 1HG GLU 85 -14.597 -5.461 -4.668 653 H SER 86 H SER 86 -14.142 -6.034 -8.374 654 HA SER 86 HA SER 86 -11.321 -6.341 -7.972 655 HG SER 86 HG SER 86 -10.198 -4.872 -10.032 656 HB2 SER 86 2HB SER 86 -12.133 -5.802 -10.191 657 HB3 SER 86 1HB SER 86 -12.908 -4.335 -9.591 658 H LEU 87 H LEU 87 -11.545 -5.897 -5.628 659 HA LEU 87 HA LEU 87 -11.722 -4.477 -3.785 660 HG LEU 87 HG LEU 87 -8.227 -4.646 -3.214 661 HB2 LEU 87 2HB LEU 87 -9.246 -4.354 -5.214 662 HB3 LEU 87 1HB LEU 87 -9.568 -2.783 -4.503 663 HD11 LEU 87 1HD1 LEU 87 -8.402 -2.573 -2.211 664 HD12 LEU 87 2HD1 LEU 87 -9.267 -3.602 -1.069 665 HD13 LEU 87 3HD1 LEU 87 -10.166 -2.605 -2.212 666 HD21 LEU 87 3HD2 LEU 87 -11.062 -5.226 -2.360 667 HD22 LEU 87 1HD2 LEU 87 -9.594 -5.860 -1.622 668 HD23 LEU 87 2HD2 LEU 87 -10.021 -6.324 -3.267 669 H GLU 88 H GLU 88 -13.320 -3.066 -3.479 670 HA GLU 88 HA GLU 88 -13.695 -0.782 -5.172 671 HB2 GLU 88 2HB GLU 88 -15.536 -1.889 -3.862 672 HB3 GLU 88 1HB GLU 88 -14.793 -1.274 -2.392 673 HG2 GLU 88 2HG GLU 88 -15.244 0.810 -4.359 674 HG3 GLU 88 1HG GLU 88 -16.728 -0.023 -3.902 675 H ILE 89 H ILE 89 -11.884 0.501 -5.184 676 HA ILE 89 HA ILE 89 -11.159 1.683 -2.604 677 HB ILE 89 HB ILE 89 -8.840 1.535 -2.969 678 HG12 ILE 89 2HG1 ILE 89 -9.108 2.068 -5.525 679 HG13 ILE 89 1HG1 ILE 89 -7.719 1.156 -4.965 680 HG21 ILE 89 1HG2 ILE 89 -10.174 -1.006 -3.829 681 HG22 ILE 89 2HG2 ILE 89 -9.624 -0.550 -2.217 682 HG23 ILE 89 3HG2 ILE 89 -8.450 -0.889 -3.486 683 HD11 ILE 89 3HD1 ILE 89 -10.207 -0.026 -6.169 684 HD12 ILE 89 1HD1 ILE 89 -8.781 -0.918 -5.636 685 HD13 ILE 89 2HD1 ILE 89 -8.666 0.206 -6.992 686 H ALA 90 H ALA 90 -11.143 3.906 -2.607 687 HA ALA 90 HA ALA 90 -11.354 5.187 -5.241 688 HB1 ALA 90 3HB ALA 90 -12.383 7.031 -4.215 689 HB2 ALA 90 1HB ALA 90 -11.806 6.578 -2.611 690 HB3 ALA 90 2HB ALA 90 -13.078 5.634 -3.395 691 H TRP 91 H TRP 91 -9.477 5.773 -6.039 692 HA TRP 91 HA TRP 91 -7.295 6.520 -4.265 693 HD1 TRP 91 HD TRP 91 -8.047 7.825 -8.261 694 HE1 TRP 91 1HE TRP 91 -9.102 6.640 -10.285 695 HE3 TRP 91 3HE TRP 91 -7.063 2.973 -6.968 696 HZ2 TRP 91 2HZ TRP 91 -9.469 4.002 -11.213 697 HZ3 TRP 91 3HZ TRP 91 -7.800 1.181 -8.483 698 HH2 TRP 91 HH TRP 91 -8.977 1.685 -10.560 699 HB2 TRP 91 2HB TRP 91 -6.023 6.676 -6.500 700 HB3 TRP 91 1HB TRP 91 -6.524 5.084 -5.945 701 H GLN 92 H GLN 92 -6.525 8.517 -3.993 702 HA GLN 92 HA GLN 92 -8.042 10.709 -5.156 703 HB2 GLN 92 2HB GLN 92 -5.898 10.646 -3.027 704 HB3 GLN 92 1HB GLN 92 -6.701 12.111 -3.572 705 HG2 GLN 92 2HG GLN 92 -8.834 11.265 -2.799 706 HG3 GLN 92 1HG GLN 92 -8.078 9.746 -2.320 707 HE21 GLN 92 1HE2 GLN 92 -9.108 10.368 -0.251 708 HE22 GLN 92 2HE2 GLN 92 -8.209 11.371 0.832 709 HA PRO 93 HA PRO 93 -5.354 12.023 -8.371 710 HB2 PRO 93 2HB PRO 93 -5.171 14.608 -6.905 711 HB3 PRO 93 1HB PRO 93 -5.536 14.310 -8.608 712 HG2 PRO 93 2HG PRO 93 -7.476 14.929 -6.886 713 HG3 PRO 93 1HG PRO 93 -7.740 13.742 -8.175 714 HD2 PRO 93 2HD PRO 93 -7.380 13.318 -5.257 715 HD3 PRO 93 1HD PRO 93 -8.297 12.360 -6.435 716 H ALA 94 H ALA 94 -4.394 13.010 -5.100 717 HA ALA 94 HA ALA 94 -2.383 12.447 -4.045 718 HB1 ALA 94 3HB ALA 94 -0.593 11.473 -5.093 719 HB2 ALA 94 1HB ALA 94 -0.829 12.395 -6.575 720 HB3 ALA 94 2HB ALA 94 -1.878 11.027 -6.216 721 H GLU 95 H GLU 95 -3.538 14.991 -4.889 722 HA GLU 95 HA GLU 95 -1.378 16.684 -4.164 723 HB2 GLU 95 2HB GLU 95 -1.316 16.114 -6.818 724 HB3 GLU 95 1HB GLU 95 -2.349 17.537 -6.820 725 HG2 GLU 95 2HG GLU 95 -0.354 18.374 -5.205 726 HG3 GLU 95 1HG GLU 95 0.523 17.282 -6.277 727 H SER 96 H SER 96 -2.104 19.101 -4.569 728 HA SER 96 HA SER 96 -4.981 19.450 -4.464 729 HG SER 96 HG SER 96 -2.898 20.343 -1.114 730 HB2 SER 96 2HB SER 96 -4.624 20.826 -2.271 731 HB3 SER 96 1HB SER 96 -4.788 19.073 -2.171 Start of MODEL 12 1 HA MET 1 HA MET 1 6.903 13.300 -5.167 2 HB2 MET 1 2HB MET 1 7.568 13.556 -2.876 3 HB3 MET 1 1HB MET 1 8.844 14.183 -3.913 4 HG2 MET 1 2HG MET 1 8.695 16.229 -3.043 5 HG3 MET 1 1HG MET 1 6.936 16.224 -3.090 6 HE1 MET 1 3HE MET 1 10.010 16.071 -1.461 7 HE2 MET 1 1HE MET 1 9.902 15.028 -0.043 8 HE3 MET 1 2HE MET 1 9.442 16.727 0.075 9 H PHE 2 H PHE 2 4.814 13.343 -5.736 10 HA PHE 2 HA PHE 2 2.964 15.089 -4.279 11 HD1 PHE 2 1HD PHE 2 3.460 16.491 -6.680 12 HD2 PHE 2 2HD PHE 2 2.910 12.552 -8.198 13 HE1 PHE 2 1HE PHE 2 4.743 17.090 -8.692 14 HE2 PHE 2 2HE PHE 2 4.181 13.149 -10.211 15 HZ PHE 2 HZ PHE 2 5.107 15.416 -10.461 16 HB2 PHE 2 2HB PHE 2 1.888 13.138 -6.233 17 HB3 PHE 2 1HB PHE 2 1.485 14.834 -6.006 18 H ARG 3 H ARG 3 0.823 13.883 -3.554 19 HA ARG 3 HA ARG 3 1.394 11.158 -2.734 20 HE ARG 3 HE ARG 3 4.490 10.682 1.461 21 HB2 ARG 3 2HB ARG 3 1.932 13.250 -0.943 22 HB3 ARG 3 1HB ARG 3 0.427 12.526 -0.387 23 HG2 ARG 3 2HG ARG 3 1.705 11.027 0.630 24 HG3 ARG 3 1HG ARG 3 1.980 10.343 -0.958 25 HD2 ARG 3 2HD ARG 3 4.138 10.827 -0.803 26 HD3 ARG 3 1HD ARG 3 3.755 12.535 -0.616 27 HH11 ARG 3 1HH1 ARG 3 2.916 13.711 0.734 28 HH12 ARG 3 2HH1 ARG 3 3.135 14.350 2.327 29 HH21 ARG 3 1HH2 ARG 3 4.778 11.520 3.557 30 HH22 ARG 3 2HH2 ARG 3 4.192 13.107 3.930 31 H SER 4 H SER 4 -0.319 9.942 -2.919 32 HA SER 4 HA SER 4 -3.014 11.118 -2.787 33 HG SER 4 HG SER 4 -4.136 8.523 -5.023 34 HB2 SER 4 2HB SER 4 -2.995 10.346 -4.970 35 HB3 SER 4 1HB SER 4 -1.769 9.121 -4.633 36 H THR 5 H THR 5 -4.699 9.514 -1.999 37 HA THR 5 HA THR 5 -3.568 7.382 -0.381 38 HB THR 5 HB THR 5 -4.570 8.088 1.690 39 HG1 THR 5 1HG THR 5 -5.604 10.259 0.198 40 HG21 THR 5 3HG2 THR 5 -3.224 9.821 2.330 41 HG22 THR 5 1HG2 THR 5 -3.397 10.677 0.801 42 HG23 THR 5 2HG2 THR 5 -2.367 9.248 0.902 43 H SER 6 H SER 6 -4.738 5.612 -0.405 44 HA SER 6 HA SER 6 -7.548 5.808 -1.279 45 HG SER 6 HG SER 6 -7.674 2.565 -1.725 46 HB2 SER 6 2HB SER 6 -5.990 4.506 -2.754 47 HB3 SER 6 1HB SER 6 -5.740 3.384 -1.416 48 H HIS 7 H HIS 7 -9.129 5.159 0.063 49 HA HIS 7 HA HIS 7 -8.344 3.760 2.545 50 HD1 HIS 7 1HD HIS 7 -11.347 3.033 3.657 51 HD2 HIS 7 2HD HIS 7 -9.693 6.384 5.469 52 HE1 HIS 7 1HE HIS 7 -11.880 2.809 6.100 53 HE2 HIS 7 2HE HIS 7 -10.792 4.800 7.188 54 HB2 HIS 7 2HB HIS 7 -9.215 6.092 2.834 55 HB3 HIS 7 1HB HIS 7 -10.742 5.561 2.151 56 H VAL 8 H VAL 8 -9.227 1.809 2.959 57 HA VAL 8 HA VAL 8 -11.709 1.040 1.595 58 HB VAL 8 HB VAL 8 -9.462 -0.943 1.724 59 HG11 VAL 8 1HG1 VAL 8 -11.794 -1.651 1.233 60 HG12 VAL 8 2HG1 VAL 8 -10.647 -2.031 -0.050 61 HG13 VAL 8 3HG1 VAL 8 -11.743 -0.661 -0.225 62 HG21 VAL 8 3HG2 VAL 8 -8.654 1.125 0.540 63 HG22 VAL 8 1HG2 VAL 8 -9.919 0.844 -0.656 64 HG23 VAL 8 2HG2 VAL 8 -8.642 -0.350 -0.424 65 H ARG 9 H ARG 9 -12.847 -0.730 2.624 66 HA ARG 9 HA ARG 9 -12.091 -0.991 5.451 67 HE ARG 9 HE ARG 9 -15.453 2.160 6.598 68 HB2 ARG 9 2HB ARG 9 -14.697 -1.060 4.026 69 HB3 ARG 9 1HB ARG 9 -14.525 -2.123 5.414 70 HG2 ARG 9 2HG ARG 9 -15.482 -0.082 6.164 71 HG3 ARG 9 1HG ARG 9 -13.820 -0.155 6.759 72 HD2 ARG 9 2HD ARG 9 -13.082 1.466 5.272 73 HD3 ARG 9 1HD ARG 9 -14.440 1.219 4.174 74 HH11 ARG 9 1HH1 ARG 9 -13.435 3.281 3.980 75 HH12 ARG 9 2HH1 ARG 9 -13.876 4.942 4.186 76 HH21 ARG 9 1HH2 ARG 9 -16.036 4.346 6.868 77 HH22 ARG 9 2HH2 ARG 9 -15.352 5.547 5.826 78 H THR 10 H THR 10 -10.782 -2.684 5.750 79 HA THR 10 HA THR 10 -11.620 -5.286 4.666 80 HB THR 10 HB THR 10 -9.309 -3.853 3.939 81 HG1 THR 10 1HG THR 10 -10.155 -6.520 3.539 82 HG21 THR 10 3HG2 THR 10 -8.500 -5.102 6.157 83 HG22 THR 10 1HG2 THR 10 -7.475 -4.862 4.737 84 HG23 THR 10 2HG2 THR 10 -8.292 -6.408 4.981 85 H GLU 11 H GLU 11 -10.883 -7.160 5.914 86 HA GLU 11 HA GLU 11 -10.557 -6.473 8.759 87 HB2 GLU 11 2HB GLU 11 -12.270 -8.290 7.402 88 HB3 GLU 11 1HB GLU 11 -11.182 -9.232 8.413 89 HG2 GLU 11 2HG GLU 11 -12.247 -8.637 10.260 90 HG3 GLU 11 1HG GLU 11 -12.187 -6.930 9.821 91 H SER 12 H SER 12 -8.974 -7.470 10.041 92 HA SER 12 HA SER 12 -6.941 -8.344 10.526 93 HG SER 12 HG SER 12 -5.587 -10.492 10.087 94 HB2 SER 12 2HB SER 12 -7.877 -10.477 10.115 95 HB3 SER 12 1HB SER 12 -7.834 -10.250 8.366 96 H ALA 13 H ALA 13 -7.209 -6.240 8.509 97 HA ALA 13 HA ALA 13 -5.504 -6.417 6.339 98 HB1 ALA 13 3HB ALA 13 -5.317 -4.036 6.419 99 HB2 ALA 13 1HB ALA 13 -5.786 -4.037 8.110 100 HB3 ALA 13 2HB ALA 13 -6.955 -4.490 6.883 101 H ALA 14 H ALA 14 -4.610 -5.331 9.589 102 HA ALA 14 HA ALA 14 -2.031 -4.600 9.283 103 HB1 ALA 14 3HB ALA 14 -1.626 -5.346 11.595 104 HB2 ALA 14 1HB ALA 14 -3.158 -6.221 11.549 105 HB3 ALA 14 2HB ALA 14 -3.141 -4.463 11.387 106 H ARG 15 H ARG 15 -3.088 -7.938 8.977 107 HA ARG 15 HA ARG 15 -0.405 -8.968 9.237 108 HE ARG 15 HE ARG 15 -1.225 -13.359 6.459 109 HB2 ARG 15 2HB ARG 15 -2.590 -10.191 9.809 110 HB3 ARG 15 1HB ARG 15 -2.746 -10.471 8.082 111 HG2 ARG 15 2HG ARG 15 -0.379 -11.290 9.744 112 HG3 ARG 15 1HG ARG 15 -1.723 -12.347 9.321 113 HD2 ARG 15 2HD ARG 15 -0.783 -11.183 6.921 114 HD3 ARG 15 1HD ARG 15 0.629 -11.727 7.814 115 HH11 ARG 15 1HH1 ARG 15 0.613 -13.240 9.423 116 HH12 ARG 15 2HH1 ARG 15 0.683 -14.961 9.595 117 HH21 ARG 15 1HH2 ARG 15 -1.136 -15.623 6.685 118 HH22 ARG 15 2HH2 ARG 15 -0.309 -16.315 8.041 119 H TYR 16 H TYR 16 -2.628 -8.254 6.596 120 HA TYR 16 HA TYR 16 -1.007 -9.352 4.544 121 HD1 TYR 16 1HD TYR 16 -2.652 -10.714 4.734 122 HD2 TYR 16 2HD TYR 16 -5.168 -7.580 3.314 123 HE1 TYR 16 1HE TYR 16 -4.558 -12.238 4.754 124 HE2 TYR 16 2HE TYR 16 -7.082 -9.111 3.342 125 HH TYR 16 HH TYR 16 -7.032 -12.119 3.238 126 HB2 TYR 16 2HB TYR 16 -2.985 -7.070 4.358 127 HB3 TYR 16 1HB TYR 16 -2.278 -7.910 2.989 128 H VAL 17 H VAL 17 -0.765 -6.469 6.427 129 HA VAL 17 HA VAL 17 1.054 -5.162 4.599 130 HB VAL 17 HB VAL 17 -0.020 -4.465 7.304 131 HG11 VAL 17 1HG1 VAL 17 1.677 -2.393 6.843 132 HG12 VAL 17 2HG1 VAL 17 2.675 -3.757 6.360 133 HG13 VAL 17 3HG1 VAL 17 1.990 -3.694 7.986 134 HG21 VAL 17 3HG2 VAL 17 -0.618 -2.424 6.240 135 HG22 VAL 17 1HG2 VAL 17 -1.092 -3.754 5.180 136 HG23 VAL 17 2HG2 VAL 17 0.362 -2.815 4.829 137 H ASN 18 H ASN 18 1.247 -6.971 7.640 138 HA ASN 18 HA ASN 18 4.056 -6.691 7.900 139 HB2 ASN 18 2HB ASN 18 2.376 -8.900 9.081 140 HB3 ASN 18 1HB ASN 18 3.904 -8.269 9.687 141 HD21 ASN 18 1HD2 ASN 18 3.255 -5.505 9.291 142 HD22 ASN 18 2HD2 ASN 18 2.077 -5.086 10.483 143 H ARG 19 H ARG 19 2.022 -8.973 6.176 144 HA ARG 19 HA ARG 19 4.109 -10.899 5.818 145 HE ARG 19 HE ARG 19 1.498 -15.505 5.278 146 HB2 ARG 19 2HB ARG 19 1.439 -11.054 5.664 147 HB3 ARG 19 1HB ARG 19 1.808 -10.850 3.956 148 HG2 ARG 19 2HG ARG 19 2.327 -12.986 3.806 149 HG3 ARG 19 1HG ARG 19 3.598 -12.771 5.007 150 HD2 ARG 19 2HD ARG 19 1.940 -13.113 6.789 151 HD3 ARG 19 1HD ARG 19 0.703 -13.382 5.562 152 HH11 ARG 19 1HH1 ARG 19 3.909 -13.623 6.957 153 HH12 ARG 19 2HH1 ARG 19 4.934 -14.984 7.271 154 HH21 ARG 19 1HH2 ARG 19 2.843 -17.296 5.689 155 HH22 ARG 19 2HH2 ARG 19 4.328 -17.070 6.550 156 H LEU 20 H LEU 20 3.276 -7.973 4.231 157 HA LEU 20 HA LEU 20 4.226 -8.615 1.638 158 HG LEU 20 HG LEU 20 1.788 -6.724 2.828 159 HB2 LEU 20 2HB LEU 20 3.988 -5.939 3.000 160 HB3 LEU 20 1HB LEU 20 4.305 -6.165 1.293 161 HD11 LEU 20 1HD1 LEU 20 0.805 -5.161 1.377 162 HD12 LEU 20 2HD1 LEU 20 2.125 -5.288 0.212 163 HD13 LEU 20 3HD1 LEU 20 2.386 -4.472 1.753 164 HD21 LEU 20 3HD2 LEU 20 1.962 -8.698 1.520 165 HD22 LEU 20 1HD2 LEU 20 2.569 -7.811 0.121 166 HD23 LEU 20 2HD2 LEU 20 0.892 -7.621 0.626 167 H CYS 21 H CYS 21 5.791 -6.951 4.383 168 HA CYS 21 HA CYS 21 8.197 -6.385 3.094 169 HG CYS 21 HG CYS 21 6.839 -4.566 4.839 170 HB2 CYS 21 2HB CYS 21 8.034 -7.152 6.012 171 HB3 CYS 21 1HB CYS 21 9.161 -6.045 5.245 172 H LYS 22 H LYS 22 7.001 -9.336 4.505 173 HA LYS 22 HA LYS 22 9.536 -10.704 4.216 174 HB2 LYS 22 2HB LYS 22 6.811 -11.812 4.901 175 HB3 LYS 22 1HB LYS 22 8.348 -12.653 5.065 176 HG2 LYS 22 2HG LYS 22 8.774 -11.711 7.041 177 HG3 LYS 22 1HG LYS 22 8.303 -10.106 6.480 178 HD2 LYS 22 2HD LYS 22 6.788 -10.676 8.209 179 HD3 LYS 22 1HD LYS 22 5.904 -10.873 6.694 180 HE2 LYS 22 2HE LYS 22 5.374 -12.769 7.973 181 HE3 LYS 22 1HE LYS 22 6.568 -13.315 6.794 182 HZ1 LYS 22 3HZ LYS 22 7.493 -14.196 8.638 183 HZ2 LYS 22 1HZ LYS 22 6.791 -13.067 9.686 184 HZ3 LYS 22 2HZ LYS 22 8.166 -12.652 8.791 185 H HIS 23 H HIS 23 6.732 -10.086 2.328 186 HA HIS 23 HA HIS 23 7.068 -12.348 0.574 187 HD1 HIS 23 1HD HIS 23 6.173 -11.513 -2.343 188 HD2 HIS 23 2HD HIS 23 3.123 -12.910 0.108 189 HE1 HIS 23 1HE HIS 23 4.862 -13.127 -3.757 190 HE2 HIS 23 2HE HIS 23 3.078 -14.031 -2.223 191 HB2 HIS 23 2HB HIS 23 4.853 -11.175 1.219 192 HB3 HIS 23 1HB HIS 23 5.303 -9.990 -0.003 193 H TRP 24 H TRP 24 7.107 -8.785 0.020 194 HA TRP 24 HA TRP 24 8.558 -9.261 -2.461 195 HD1 TRP 24 HD TRP 24 5.105 -8.215 -1.086 196 HE1 TRP 24 1HE TRP 24 3.332 -8.574 -2.917 197 HE3 TRP 24 3HE TRP 24 7.911 -7.002 -5.184 198 HZ2 TRP 24 2HZ TRP 24 3.147 -8.370 -5.726 199 HZ3 TRP 24 3HZ TRP 24 6.861 -7.110 -7.407 200 HH2 TRP 24 HH TRP 24 4.527 -7.781 -7.670 201 HB2 TRP 24 2HB TRP 24 7.462 -6.737 -1.217 202 HB3 TRP 24 1HB TRP 24 8.291 -6.800 -2.769 203 H GLY 25 H GLY 25 9.405 -8.687 0.787 204 HA2 GLY 25 2HA GLY 25 11.651 -6.988 0.389 205 HA3 GLY 25 1HA GLY 25 11.355 -7.995 1.790 206 H HIS 26 H HIS 26 12.210 -8.433 -1.643 207 HA HIS 26 HA HIS 26 14.115 -10.508 -0.789 208 HD1 HIS 26 1HD HIS 26 12.621 -11.951 -0.214 209 HD2 HIS 26 2HD HIS 26 13.174 -13.404 -4.069 210 HE1 HIS 26 1HE HIS 26 12.369 -14.447 -0.035 211 HE2 HIS 26 2HE HIS 26 12.793 -15.311 -2.364 212 HB2 HIS 26 2HB HIS 26 12.206 -10.354 -2.985 213 HB3 HIS 26 1HB HIS 26 13.830 -10.742 -3.545 214 H LYS 27 H LYS 27 13.695 -7.545 -2.587 215 HA LYS 27 HA LYS 27 16.598 -7.207 -2.648 216 HB2 LYS 27 2HB LYS 27 16.205 -8.266 -4.781 217 HB3 LYS 27 1HB LYS 27 14.862 -7.190 -5.128 218 HG2 LYS 27 2HG LYS 27 17.377 -5.775 -4.662 219 HG3 LYS 27 1HG LYS 27 17.431 -6.893 -6.025 220 HD2 LYS 27 2HD LYS 27 15.084 -5.078 -5.755 221 HD3 LYS 27 1HD LYS 27 16.613 -4.408 -6.329 222 HE2 LYS 27 2HE LYS 27 16.065 -6.885 -7.671 223 HE3 LYS 27 1HE LYS 27 14.675 -5.809 -7.809 224 HZ1 LYS 27 3HZ LYS 27 16.641 -4.116 -8.350 225 HZ2 LYS 27 1HZ LYS 27 15.857 -5.026 -9.541 226 HZ3 LYS 27 2HZ LYS 27 17.346 -5.543 -8.926 227 H PHE 28 H PHE 28 14.073 -5.997 -1.418 228 HA PHE 28 HA PHE 28 14.805 -3.232 -2.005 229 HD1 PHE 28 1HD PHE 28 13.463 -1.255 -3.496 230 HD2 PHE 28 2HD PHE 28 12.288 -5.250 -4.375 231 HE1 PHE 28 1HE PHE 28 13.700 -0.791 -5.900 232 HE2 PHE 28 2HE PHE 28 12.521 -4.793 -6.782 233 HZ PHE 28 HZ PHE 28 13.229 -2.561 -7.548 234 HB2 PHE 28 2HB PHE 28 12.042 -4.400 -2.190 235 HB3 PHE 28 1HB PHE 28 12.288 -2.691 -1.838 236 H GLU 29 H GLU 29 14.237 -1.730 -0.348 237 HA GLU 29 HA GLU 29 14.527 -2.872 2.272 238 HB2 GLU 29 2HB GLU 29 14.334 -0.420 2.979 239 HB3 GLU 29 1HB GLU 29 15.702 -0.861 1.965 240 HG2 GLU 29 2HG GLU 29 13.357 -0.027 0.452 241 HG3 GLU 29 1HG GLU 29 13.984 1.216 1.533 242 H VAL 30 H VAL 30 12.813 -3.836 3.162 243 HA VAL 30 HA VAL 30 10.239 -2.413 3.068 244 HB VAL 30 HB VAL 30 9.472 -4.910 3.755 245 HG11 VAL 30 1HG1 VAL 30 9.746 -3.623 1.072 246 HG12 VAL 30 2HG1 VAL 30 8.301 -3.878 2.054 247 HG13 VAL 30 3HG1 VAL 30 9.061 -5.239 1.234 248 HG21 VAL 30 3HG2 VAL 30 11.609 -5.440 1.715 249 HG22 VAL 30 1HG2 VAL 30 10.643 -6.595 2.635 250 HG23 VAL 30 2HG2 VAL 30 11.888 -5.645 3.447 251 H GLU 31 H GLU 31 9.766 -1.479 4.951 252 HA GLU 31 HA GLU 31 10.860 -2.577 7.423 253 HB2 GLU 31 2HB GLU 31 10.112 0.052 6.486 254 HB3 GLU 31 1HB GLU 31 9.310 -0.306 8.009 255 HG2 GLU 31 2HG GLU 31 11.176 0.028 9.149 256 HG3 GLU 31 1HG GLU 31 12.071 -1.090 8.120 257 H LEU 32 H LEU 32 9.630 -3.400 9.059 258 HA LEU 32 HA LEU 32 6.734 -3.649 8.530 259 HG LEU 32 HG LEU 32 5.866 -6.340 8.436 260 HB2 LEU 32 2HB LEU 32 8.110 -5.754 8.200 261 HB3 LEU 32 1HB LEU 32 8.398 -5.750 9.928 262 HD11 LEU 32 1HD1 LEU 32 7.786 -7.746 10.083 263 HD12 LEU 32 2HD1 LEU 32 6.542 -8.378 9.005 264 HD13 LEU 32 3HD1 LEU 32 6.136 -7.958 10.667 265 HD21 LEU 32 3HD2 LEU 32 6.065 -5.364 11.283 266 HD22 LEU 32 1HD2 LEU 32 4.700 -6.293 10.670 267 HD23 LEU 32 2HD2 LEU 32 5.067 -4.713 9.984 268 H THR 33 H THR 33 5.733 -2.371 9.901 269 HA THR 33 HA THR 33 6.443 -2.574 12.774 270 HB THR 33 HB THR 33 5.364 -0.097 12.647 271 HG1 THR 33 1HG THR 33 5.256 -0.145 10.363 272 HG21 THR 33 3HG2 THR 33 7.565 -0.733 13.635 273 HG22 THR 33 1HG2 THR 33 7.529 0.844 12.847 274 HG23 THR 33 2HG2 THR 33 8.271 -0.533 12.032 275 HA PRO 34 HA PRO 34 2.128 -3.344 13.263 276 HB2 PRO 34 2HB PRO 34 1.523 -2.251 15.637 277 HB3 PRO 34 1HB PRO 34 2.603 -3.636 15.484 278 HG2 PRO 34 2HG PRO 34 3.271 -0.762 15.918 279 HG3 PRO 34 1HG PRO 34 4.015 -2.205 16.627 280 HD2 PRO 34 2HD PRO 34 5.049 -0.784 14.491 281 HD3 PRO 34 1HD PRO 34 5.429 -2.478 14.858 282 H GLU 35 H GLU 35 2.415 -1.336 11.487 283 HA GLU 35 HA GLU 35 0.004 0.166 11.866 284 HB2 GLU 35 2HB GLU 35 2.651 1.621 11.686 285 HB3 GLU 35 1HB GLU 35 1.073 2.384 11.528 286 HG2 GLU 35 2HG GLU 35 0.568 1.471 13.836 287 HG3 GLU 35 1HG GLU 35 2.288 1.098 13.948 288 H ARG 36 H ARG 36 2.911 -0.368 9.852 289 HA ARG 36 HA ARG 36 1.331 -0.757 7.544 290 HE ARG 36 HE ARG 36 4.633 4.231 7.558 291 HB2 ARG 36 2HB ARG 36 2.179 1.201 6.245 292 HB3 ARG 36 1HB ARG 36 1.060 1.626 7.531 293 HG2 ARG 36 2HG ARG 36 3.220 1.986 8.932 294 HG3 ARG 36 1HG ARG 36 4.004 2.083 7.353 295 HD2 ARG 36 2HD ARG 36 2.098 3.771 6.815 296 HD3 ARG 36 1HD ARG 36 1.954 3.885 8.569 297 HH11 ARG 36 1HH1 ARG 36 1.639 5.814 8.407 298 HH12 ARG 36 2HH1 ARG 36 2.383 7.357 8.658 299 HH21 ARG 36 1HH2 ARG 36 5.610 6.261 7.887 300 HH22 ARG 36 2HH2 ARG 36 4.634 7.613 8.361 301 H GLY 37 H GLY 37 2.643 -0.845 5.529 302 HA2 GLY 37 2HA GLY 37 5.288 -2.009 6.134 303 HA3 GLY 37 1HA GLY 37 4.272 -2.468 4.773 304 H PHE 38 H PHE 38 6.977 -0.652 5.555 305 HA PHE 38 HA PHE 38 6.515 1.366 3.469 306 HD1 PHE 38 1HD PHE 38 7.107 3.859 3.640 307 HD2 PHE 38 2HD PHE 38 10.713 1.933 4.850 308 HE1 PHE 38 1HE PHE 38 8.414 5.690 2.664 309 HE2 PHE 38 2HE PHE 38 12.021 3.754 3.851 310 HZ PHE 38 HZ PHE 38 10.875 5.636 2.754 311 HB2 PHE 38 2HB PHE 38 7.323 2.132 5.654 312 HB3 PHE 38 1HB PHE 38 8.703 1.054 5.541 313 H ILE 39 H ILE 39 7.284 1.067 1.516 314 HA ILE 39 HA ILE 39 9.702 -0.585 1.140 315 HB ILE 39 HB ILE 39 7.510 -0.752 -0.896 316 HG12 ILE 39 2HG1 ILE 39 7.612 -2.250 1.721 317 HG13 ILE 39 1HG1 ILE 39 6.231 -1.482 0.946 318 HG21 ILE 39 1HG2 ILE 39 10.101 -1.872 -0.510 319 HG22 ILE 39 2HG2 ILE 39 9.009 -2.053 -1.882 320 HG23 ILE 39 3HG2 ILE 39 8.920 -3.182 -0.531 321 HD11 ILE 39 3HD1 ILE 39 6.080 -3.236 -0.668 322 HD12 ILE 39 1HD1 ILE 39 6.156 -3.952 0.941 323 HD13 ILE 39 2HD1 ILE 39 7.583 -3.959 -0.093 324 H ASP 40 H ASP 40 11.105 1.024 0.496 325 HA ASP 40 HA ASP 40 10.135 2.893 -1.551 326 HB2 ASP 40 2HB ASP 40 12.359 4.104 -0.918 327 HB3 ASP 40 1HB ASP 40 10.960 4.237 0.137 328 H PHE 41 H PHE 41 10.943 2.932 -3.511 329 HA PHE 41 HA PHE 41 13.021 0.966 -4.196 330 HD1 PHE 41 1HD PHE 41 11.154 -0.123 -3.588 331 HD2 PHE 41 2HD PHE 41 10.468 0.321 -7.770 332 HE1 PHE 41 1HE PHE 41 9.991 -2.282 -3.624 333 HE2 PHE 41 2HE PHE 41 9.305 -1.846 -7.806 334 HZ PHE 41 HZ PHE 41 9.065 -3.149 -5.733 335 HB2 PHE 41 2HB PHE 41 10.846 2.354 -5.746 336 HB3 PHE 41 1HB PHE 41 12.209 1.633 -6.584 337 H GLY 42 H GLY 42 13.131 3.956 -3.179 338 HA2 GLY 42 2HA GLY 42 15.237 5.156 -3.394 339 HA3 GLY 42 1HA GLY 42 15.207 4.777 -5.111 340 H ASP 43 H ASP 43 14.092 6.090 -6.504 341 HA ASP 43 HA ASP 43 13.161 8.625 -5.418 342 HB2 ASP 43 2HB ASP 43 14.519 7.997 -7.713 343 HB3 ASP 43 1HB ASP 43 12.871 8.148 -8.316 344 H SER 44 H SER 44 11.553 6.839 -4.454 345 HA SER 44 HA SER 44 8.978 7.496 -5.056 346 HG SER 44 HG SER 44 10.361 5.437 -7.969 347 HB2 SER 44 2HB SER 44 8.443 5.137 -6.247 348 HB3 SER 44 1HB SER 44 8.808 6.595 -7.170 349 H ASN 45 H ASN 45 7.384 6.023 -3.886 350 HA ASN 45 HA ASN 45 8.587 3.905 -2.311 351 HB2 ASN 45 2HB ASN 45 7.259 6.133 -0.779 352 HB3 ASN 45 1HB ASN 45 8.308 4.859 -0.172 353 HD21 ASN 45 1HD2 ASN 45 8.351 7.656 -2.353 354 HD22 ASN 45 2HD2 ASN 45 9.955 8.155 -1.952 355 H CYS 46 H CYS 46 6.893 2.892 -0.821 356 HA CYS 46 HA CYS 46 4.150 3.400 -1.621 357 HG CYS 46 HG CYS 46 6.278 0.965 -3.956 358 HB2 CYS 46 2HB CYS 46 4.260 0.633 -1.823 359 HB3 CYS 46 1HB CYS 46 4.119 1.769 -3.159 360 H GLU 47 H GLU 47 3.414 3.758 0.397 361 HA GLU 47 HA GLU 47 4.107 1.863 2.522 362 HB2 GLU 47 2HB GLU 47 4.218 4.528 2.597 363 HB3 GLU 47 1HB GLU 47 2.529 4.347 3.040 364 HG2 GLU 47 2HG GLU 47 3.021 3.452 5.081 365 HG3 GLU 47 1HG GLU 47 4.550 2.755 4.542 366 H LEU 48 H LEU 48 2.409 1.000 3.886 367 HA LEU 48 HA LEU 48 -0.306 1.197 2.822 368 HG LEU 48 HG LEU 48 -0.950 -2.086 3.756 369 HB2 LEU 48 2HB LEU 48 0.613 -0.689 1.610 370 HB3 LEU 48 1HB LEU 48 1.193 -1.419 3.092 371 HD11 LEU 48 1HD1 LEU 48 -2.965 -1.331 2.283 372 HD12 LEU 48 2HD1 LEU 48 -1.920 0.037 1.901 373 HD13 LEU 48 3HD1 LEU 48 -2.367 -0.293 3.576 374 HD21 LEU 48 3HD2 LEU 48 -0.375 -2.464 0.874 375 HD22 LEU 48 1HD2 LEU 48 -1.962 -2.954 1.466 376 HD23 LEU 48 2HD2 LEU 48 -0.504 -3.648 2.174 377 H LEU 49 H LEU 49 -1.577 1.666 4.468 378 HA LEU 49 HA LEU 49 -0.778 0.904 7.186 379 HG LEU 49 HG LEU 49 -2.089 1.783 8.961 380 HB2 LEU 49 2HB LEU 49 -1.677 3.243 6.474 381 HB3 LEU 49 1HB LEU 49 -3.246 2.463 6.519 382 HD11 LEU 49 1HD1 LEU 49 -1.866 4.589 9.312 383 HD12 LEU 49 2HD1 LEU 49 -0.796 4.117 7.993 384 HD13 LEU 49 3HD1 LEU 49 -0.645 3.344 9.570 385 HD21 LEU 49 3HD2 LEU 49 -4.413 2.256 8.692 386 HD22 LEU 49 1HD2 LEU 49 -4.078 3.913 8.192 387 HD23 LEU 49 2HD2 LEU 49 -3.763 3.413 9.853 388 H ALA 50 H ALA 50 -1.761 -0.688 8.326 389 HA ALA 50 HA ALA 50 -4.307 -1.712 7.326 390 HB1 ALA 50 3HB ALA 50 -3.496 -3.991 7.268 391 HB2 ALA 50 1HB ALA 50 -1.877 -3.441 7.692 392 HB3 ALA 50 2HB ALA 50 -2.603 -2.967 6.155 393 H HIS 51 H HIS 51 -5.634 -1.694 8.959 394 HA HIS 51 HA HIS 51 -4.686 -2.549 11.579 395 HD1 HIS 51 1HD HIS 51 -7.624 -0.042 13.747 396 HD2 HIS 51 2HD HIS 51 -3.685 -1.254 13.195 397 HE1 HIS 51 1HE HIS 51 -6.512 0.240 15.983 398 HE2 HIS 51 2HE HIS 51 -4.153 -0.570 15.642 399 HB2 HIS 51 2HB HIS 51 -5.868 -0.138 10.956 400 HB3 HIS 51 1HB HIS 51 -7.246 -1.089 11.492 401 HA PRO 52 HA PRO 52 -7.248 -6.094 11.844 402 HB2 PRO 52 2HB PRO 52 -8.939 -4.633 13.834 403 HB3 PRO 52 1HB PRO 52 -8.264 -6.266 13.909 404 HG2 PRO 52 2HG PRO 52 -7.101 -4.297 15.237 405 HG3 PRO 52 1HG PRO 52 -6.118 -5.499 14.384 406 HD2 PRO 52 2HD PRO 52 -6.724 -2.677 13.639 407 HD3 PRO 52 1HD PRO 52 -5.251 -3.621 13.358 408 H ASP 53 H ASP 53 -8.881 -3.049 11.181 409 HA ASP 53 HA ASP 53 -10.830 -4.591 9.652 410 HB2 ASP 53 2HB ASP 53 -11.770 -2.325 11.405 411 HB3 ASP 53 1HB ASP 53 -12.744 -3.511 10.542 412 H HIS 54 H HIS 54 -8.641 -2.112 9.545 413 HA HIS 54 HA HIS 54 -9.957 -1.175 7.133 414 HD1 HIS 54 1HD HIS 54 -10.110 0.352 11.179 415 HD2 HIS 54 2HD HIS 54 -7.061 1.925 8.835 416 HE1 HIS 54 1HE HIS 54 -8.469 1.356 12.796 417 HE2 HIS 54 2HE HIS 54 -6.580 2.207 11.361 418 HB2 HIS 54 2HB HIS 54 -9.495 1.212 7.620 419 HB3 HIS 54 1HB HIS 54 -10.690 0.494 8.685 420 H VAL 55 H VAL 55 -8.524 -0.055 5.611 421 HA VAL 55 HA VAL 55 -5.678 -0.387 6.165 422 HB VAL 55 HB VAL 55 -6.830 -2.366 4.864 423 HG11 VAL 55 1HG1 VAL 55 -7.161 -2.174 2.616 424 HG12 VAL 55 2HG1 VAL 55 -6.037 -0.826 2.452 425 HG13 VAL 55 3HG1 VAL 55 -7.640 -0.559 3.134 426 HG21 VAL 55 3HG2 VAL 55 -4.433 -2.133 5.380 427 HG22 VAL 55 1HG2 VAL 55 -4.233 -1.193 3.901 428 HG23 VAL 55 2HG2 VAL 55 -4.731 -2.883 3.812 429 H LEU 56 H LEU 56 -4.410 1.129 5.249 430 HA LEU 56 HA LEU 56 -5.703 3.087 3.463 431 HG LEU 56 HG LEU 56 -6.452 4.689 5.401 432 HB2 LEU 56 2HB LEU 56 -4.400 3.472 6.010 433 HB3 LEU 56 1HB LEU 56 -3.513 4.327 4.771 434 HD11 LEU 56 1HD1 LEU 56 -5.883 6.678 6.509 435 HD12 LEU 56 2HD1 LEU 56 -4.223 6.638 5.913 436 HD13 LEU 56 3HD1 LEU 56 -4.757 5.467 7.121 437 HD21 LEU 56 3HD2 LEU 56 -5.872 6.859 4.018 438 HD22 LEU 56 1HD2 LEU 56 -6.355 5.371 3.207 439 HD23 LEU 56 2HD2 LEU 56 -4.649 5.812 3.303 440 H MET 57 H MET 57 -4.474 3.912 1.773 441 HA MET 57 HA MET 57 -1.888 2.589 1.334 442 HB2 MET 57 2HB MET 57 -3.784 3.175 -0.914 443 HB3 MET 57 1HB MET 57 -2.416 2.068 -0.885 444 HG2 MET 57 2HG MET 57 -3.616 0.607 0.669 445 HG3 MET 57 1HG MET 57 -4.984 1.720 0.646 446 HE1 MET 57 3HE MET 57 -4.690 2.398 -2.740 447 HE2 MET 57 1HE MET 57 -4.437 0.922 -3.670 448 HE3 MET 57 2HE MET 57 -3.152 1.543 -2.635 449 H ILE 58 H ILE 58 -0.321 4.096 1.349 450 HA ILE 58 HA ILE 58 -0.870 6.654 0.007 451 HB ILE 58 HB ILE 58 0.932 6.260 2.402 452 HG12 ILE 58 2HG1 ILE 58 -1.921 6.579 2.286 453 HG13 ILE 58 1HG1 ILE 58 -0.893 6.403 3.696 454 HG21 ILE 58 1HG2 ILE 58 0.021 8.775 1.015 455 HG22 ILE 58 2HG2 ILE 58 1.622 8.043 0.881 456 HG23 ILE 58 3HG2 ILE 58 1.074 8.686 2.427 457 HD11 ILE 58 3HD1 ILE 58 -2.403 8.476 3.491 458 HD12 ILE 58 1HD1 ILE 58 -1.178 9.066 2.367 459 HD13 ILE 58 2HD1 ILE 58 -0.738 8.683 4.031 460 H LEU 59 H LEU 59 0.666 7.365 -1.401 461 HA LEU 59 HA LEU 59 3.110 5.743 -1.623 462 HG LEU 59 HG LEU 59 1.349 6.889 -5.339 463 HB2 LEU 59 2HB LEU 59 2.998 5.717 -3.944 464 HB3 LEU 59 1HB LEU 59 1.348 5.420 -3.445 465 HD11 LEU 59 1HD1 LEU 59 -0.324 7.251 -3.585 466 HD12 LEU 59 2HD1 LEU 59 0.067 8.727 -4.469 467 HD13 LEU 59 3HD1 LEU 59 0.733 8.462 -2.860 468 HD21 LEU 59 3HD2 LEU 59 2.616 9.179 -4.024 469 HD22 LEU 59 1HD2 LEU 59 2.708 8.632 -5.692 470 HD23 LEU 59 2HD2 LEU 59 3.711 7.872 -4.462 471 H ASN 60 H ASN 60 5.013 6.773 -2.140 472 HA ASN 60 HA ASN 60 4.893 9.720 -2.194 473 HB2 ASN 60 2HB ASN 60 7.122 8.081 -0.964 474 HB3 ASN 60 1HB ASN 60 6.949 9.833 -0.925 475 HD21 ASN 60 1HD2 ASN 60 7.279 9.193 1.420 476 HD22 ASN 60 2HD2 ASN 60 5.847 8.925 2.347 477 H SER 61 H SER 61 5.183 10.128 -4.315 478 HA SER 61 HA SER 61 7.696 9.148 -5.502 479 HG SER 61 HG SER 61 4.942 6.856 -6.517 480 HB2 SER 61 2HB SER 61 5.416 8.992 -7.357 481 HB3 SER 61 1HB SER 61 6.796 7.915 -7.168 482 HA PRO 62 HA PRO 62 7.941 13.321 -7.007 483 HB2 PRO 62 2HB PRO 62 9.916 12.926 -8.810 484 HB3 PRO 62 1HB PRO 62 10.173 12.994 -7.067 485 HG2 PRO 62 2HG PRO 62 9.884 10.581 -8.822 486 HG3 PRO 62 1HG PRO 62 11.099 10.909 -7.568 487 HD2 PRO 62 2HD PRO 62 8.980 9.368 -7.072 488 HD3 PRO 62 1HD PRO 62 9.610 10.479 -5.845 489 H ASP 63 H ASP 63 6.875 10.676 -8.925 490 HA ASP 63 HA ASP 63 5.910 12.608 -10.899 491 HB2 ASP 63 2HB ASP 63 7.732 11.772 -12.101 492 HB3 ASP 63 1HB ASP 63 7.539 10.147 -11.462 493 H GLU 64 H GLU 64 3.912 12.014 -11.911 494 HA GLU 64 HA GLU 64 2.199 10.498 -10.218 495 HB2 GLU 64 2HB GLU 64 1.601 12.329 -12.058 496 HB3 GLU 64 1HB GLU 64 1.385 10.902 -13.068 497 HG2 GLU 64 2HG GLU 64 0.074 10.158 -10.844 498 HG3 GLU 64 1HG GLU 64 -0.200 11.896 -10.808 499 H ASP 65 H ASP 65 3.813 9.587 -13.304 500 HA ASP 65 HA ASP 65 2.619 7.134 -13.743 501 HB2 ASP 65 2HB ASP 65 4.461 8.263 -15.109 502 HB3 ASP 65 1HB ASP 65 5.597 7.589 -13.942 503 H SER 66 H SER 66 5.487 7.836 -11.789 504 HA SER 66 HA SER 66 5.779 5.307 -10.597 505 HG SER 66 HG SER 66 8.246 7.639 -10.884 506 HB2 SER 66 2HB SER 66 6.574 8.080 -9.711 507 HB3 SER 66 1HB SER 66 6.975 6.642 -8.773 508 H LEU 67 H LEU 67 4.386 8.277 -9.380 509 HA LEU 67 HA LEU 67 3.308 7.649 -6.998 510 HG LEU 67 HG LEU 67 1.066 9.338 -6.527 511 HB2 LEU 67 2HB LEU 67 3.132 9.849 -7.791 512 HB3 LEU 67 1HB LEU 67 2.324 9.357 -9.249 513 HD11 LEU 67 1HD1 LEU 67 1.460 11.446 -8.485 514 HD12 LEU 67 2HD1 LEU 67 1.033 11.545 -6.777 515 HD13 LEU 67 3HD1 LEU 67 -0.216 11.239 -7.983 516 HD21 LEU 67 3HD2 LEU 67 0.085 8.640 -9.247 517 HD22 LEU 67 1HD2 LEU 67 -1.023 9.385 -8.097 518 HD23 LEU 67 2HD2 LEU 67 -0.244 7.856 -7.701 519 H ALA 68 H ALA 68 1.427 7.284 -10.022 520 HA ALA 68 HA ALA 68 -0.663 5.859 -8.752 521 HB1 ALA 68 3HB ALA 68 -1.371 5.281 -11.060 522 HB2 ALA 68 1HB ALA 68 0.128 5.982 -11.668 523 HB3 ALA 68 2HB ALA 68 -1.053 7.003 -10.847 524 H HIS 69 H HIS 69 2.311 4.875 -10.358 525 HA HIS 69 HA HIS 69 1.852 2.151 -10.657 526 HD1 HIS 69 1HD HIS 69 6.334 2.122 -11.642 527 HD2 HIS 69 2HD HIS 69 2.973 0.028 -10.385 528 HE1 HIS 69 1HE HIS 69 6.861 -0.303 -12.051 529 HE2 HIS 69 2HE HIS 69 4.849 -1.556 -11.197 530 HB2 HIS 69 2HB HIS 69 3.874 3.484 -11.432 531 HB3 HIS 69 1HB HIS 69 4.494 3.330 -9.792 532 H MET 70 H MET 70 2.824 4.013 -7.851 533 HA MET 70 HA MET 70 3.191 1.698 -6.165 534 HB2 MET 70 2HB MET 70 2.866 4.509 -5.166 535 HB3 MET 70 1HB MET 70 3.828 3.221 -4.467 536 HG2 MET 70 2HG MET 70 4.609 4.112 -7.163 537 HG3 MET 70 1HG MET 70 4.849 5.253 -5.846 538 HE1 MET 70 3HE MET 70 7.195 1.666 -7.018 539 HE2 MET 70 1HE MET 70 5.622 2.196 -7.611 540 HE3 MET 70 2HE MET 70 5.722 1.101 -6.232 541 H GLN 71 H GLN 71 0.815 4.421 -6.082 542 HA GLN 71 HA GLN 71 -0.797 3.346 -4.110 543 HB2 GLN 71 2HB GLN 71 -2.690 4.668 -5.323 544 HB3 GLN 71 1HB GLN 71 -1.388 5.524 -4.525 545 HG2 GLN 71 2HG GLN 71 -0.830 6.518 -6.415 546 HG3 GLN 71 1HG GLN 71 -0.738 4.984 -7.272 547 HE21 GLN 71 1HE2 GLN 71 -2.238 7.892 -7.198 548 HE22 GLN 71 2HE2 GLN 71 -3.690 7.498 -8.047 549 H ASN 72 H ASN 72 -0.601 2.447 -7.464 550 HA ASN 72 HA ASN 72 -3.097 0.994 -7.417 551 HB2 ASN 72 2HB ASN 72 -1.814 2.087 -9.461 552 HB3 ASN 72 1HB ASN 72 -1.045 0.504 -9.526 553 HD21 ASN 72 1HD2 ASN 72 -4.201 2.081 -9.420 554 HD22 ASN 72 2HD2 ASN 72 -5.023 0.896 -10.370 555 H VAL 73 H VAL 73 0.364 0.186 -7.376 556 HA VAL 73 HA VAL 73 0.342 -2.531 -7.523 557 HB VAL 73 HB VAL 73 2.022 -0.655 -5.889 558 HG11 VAL 73 1HG1 VAL 73 1.978 -2.621 -4.511 559 HG12 VAL 73 2HG1 VAL 73 3.526 -2.558 -5.353 560 HG13 VAL 73 3HG1 VAL 73 2.265 -3.661 -5.907 561 HG21 VAL 73 3HG2 VAL 73 3.505 -0.803 -7.582 562 HG22 VAL 73 1HG2 VAL 73 2.078 -1.281 -8.502 563 HG23 VAL 73 2HG2 VAL 73 3.172 -2.511 -7.870 564 H VAL 74 H VAL 74 -0.421 -0.564 -4.684 565 HA VAL 74 HA VAL 74 -0.811 -2.771 -2.925 566 HB VAL 74 HB VAL 74 -1.846 0.057 -2.731 567 HG11 VAL 74 1HG1 VAL 74 -1.682 -1.991 -0.526 568 HG12 VAL 74 2HG1 VAL 74 -3.162 -1.584 -1.391 569 HG13 VAL 74 3HG1 VAL 74 -2.341 -0.361 -0.425 570 HG21 VAL 74 3HG2 VAL 74 0.266 0.572 -2.244 571 HG22 VAL 74 1HG2 VAL 74 0.742 -1.128 -2.245 572 HG23 VAL 74 2HG2 VAL 74 0.093 -0.394 -0.780 573 H ALA 75 H ALA 75 -3.064 -0.741 -4.822 574 HA ALA 75 HA ALA 75 -5.474 -1.777 -3.985 575 HB1 ALA 75 3HB ALA 75 -4.683 -0.971 -6.787 576 HB2 ALA 75 1HB ALA 75 -5.379 0.072 -5.545 577 HB3 ALA 75 2HB ALA 75 -6.339 -1.232 -6.241 578 H ASP 76 H ASP 76 -2.999 -3.216 -5.916 579 HA ASP 76 HA ASP 76 -4.590 -5.383 -6.921 580 HB2 ASP 76 2HB ASP 76 -2.334 -4.383 -7.826 581 HB3 ASP 76 1HB ASP 76 -1.607 -5.529 -6.704 582 H HIS 77 H HIS 77 -2.321 -4.929 -4.241 583 HA HIS 77 HA HIS 77 -2.193 -7.590 -3.389 584 HD1 HIS 77 1HD HIS 77 -0.598 -6.361 -4.690 585 HD2 HIS 77 2HD HIS 77 0.941 -4.635 -1.237 586 HE1 HIS 77 1HE HIS 77 1.676 -5.498 -5.325 587 HE2 HIS 77 2HE HIS 77 2.551 -4.380 -3.245 588 HB2 HIS 77 2HB HIS 77 -1.991 -5.152 -1.616 589 HB3 HIS 77 1HB HIS 77 -1.330 -6.748 -1.301 590 H LEU 78 H LEU 78 -4.485 -5.020 -2.518 591 HA LEU 78 HA LEU 78 -5.846 -6.517 -0.535 592 HG LEU 78 HG LEU 78 -5.072 -3.276 -0.750 593 HB2 LEU 78 2HB LEU 78 -6.717 -4.147 -2.191 594 HB3 LEU 78 1HB LEU 78 -7.655 -4.812 -0.873 595 HD11 LEU 78 1HD1 LEU 78 -7.598 -3.011 0.858 596 HD12 LEU 78 2HD1 LEU 78 -7.321 -2.167 -0.665 597 HD13 LEU 78 3HD1 LEU 78 -6.270 -1.860 0.717 598 HD21 LEU 78 3HD2 LEU 78 -5.320 -3.846 1.796 599 HD22 LEU 78 1HD2 LEU 78 -4.445 -4.938 0.724 600 HD23 LEU 78 2HD2 LEU 78 -6.107 -5.301 1.188 601 H GLN 79 H GLN 79 -5.918 -6.576 -3.972 602 HA GLN 79 HA GLN 79 -8.574 -7.526 -4.304 603 HB2 GLN 79 2HB GLN 79 -6.179 -7.813 -6.122 604 HB3 GLN 79 1HB GLN 79 -7.845 -8.139 -6.578 605 HG2 GLN 79 2HG GLN 79 -7.593 -5.504 -5.453 606 HG3 GLN 79 1HG GLN 79 -6.469 -5.729 -6.789 607 HE21 GLN 79 1HE2 GLN 79 -8.320 -3.899 -7.176 608 HE22 GLN 79 2HE2 GLN 79 -9.556 -4.448 -8.250 609 H ARG 80 H ARG 80 -5.482 -9.288 -4.669 610 HA ARG 80 HA ARG 80 -6.564 -11.819 -4.910 611 HE ARG 80 HE ARG 80 -4.151 -11.702 -1.604 612 HB2 ARG 80 2HB ARG 80 -4.308 -12.561 -3.835 613 HB3 ARG 80 1HB ARG 80 -4.318 -11.771 -5.405 614 HG2 ARG 80 2HG ARG 80 -3.029 -10.144 -4.660 615 HG3 ARG 80 1HG ARG 80 -4.126 -9.810 -3.318 616 HD2 ARG 80 2HD ARG 80 -1.917 -11.862 -3.387 617 HD3 ARG 80 1HD ARG 80 -1.941 -10.369 -2.453 618 HH11 ARG 80 1HH1 ARG 80 -0.766 -12.520 -1.838 619 HH12 ARG 80 2HH1 ARG 80 -0.805 -13.602 -0.486 620 HH21 ARG 80 1HH2 ARG 80 -4.205 -13.125 0.175 621 HH22 ARG 80 2HH2 ARG 80 -2.758 -13.947 0.656 622 H MET 81 H MET 81 -6.008 -9.954 -1.986 623 HA MET 81 HA MET 81 -6.489 -12.214 -0.268 624 HB2 MET 81 2HB MET 81 -6.383 -10.614 1.573 625 HB3 MET 81 1HB MET 81 -5.018 -10.451 0.489 626 HG2 MET 81 2HG MET 81 -5.657 -8.273 1.086 627 HG3 MET 81 1HG MET 81 -6.209 -8.510 -0.567 628 HE1 MET 81 3HE MET 81 -8.091 -7.256 3.080 629 HE2 MET 81 1HE MET 81 -8.113 -6.100 1.748 630 HE3 MET 81 2HE MET 81 -6.605 -6.894 2.203 631 H ALA 82 H ALA 82 -8.473 -10.058 -1.977 632 HA ALA 82 HA ALA 82 -10.795 -10.927 -0.372 633 HB1 ALA 82 3HB ALA 82 -11.767 -8.642 -1.279 634 HB2 ALA 82 1HB ALA 82 -10.061 -8.196 -1.298 635 HB3 ALA 82 2HB ALA 82 -10.819 -8.716 0.208 636 H ASN 83 H ASN 83 -10.790 -12.667 -1.996 637 HA ASN 83 HA ASN 83 -11.238 -12.157 -4.741 638 HB2 ASN 83 2HB ASN 83 -10.510 -14.350 -3.538 639 HB3 ASN 83 1HB ASN 83 -12.240 -14.631 -3.364 640 HD21 ASN 83 1HD2 ASN 83 -10.045 -15.925 -4.969 641 HD22 ASN 83 2HD2 ASN 83 -10.677 -15.995 -6.575 642 H SER 84 H SER 84 -12.931 -11.083 -5.504 643 HA SER 84 HA SER 84 -15.540 -11.995 -5.418 644 HG SER 84 HG SER 84 -15.187 -9.285 -2.408 645 HB2 SER 84 2HB SER 84 -16.522 -10.087 -3.971 646 HB3 SER 84 1HB SER 84 -15.826 -11.478 -3.142 647 H GLU 85 H GLU 85 -14.330 -8.685 -4.930 648 HA GLU 85 HA GLU 85 -15.145 -8.061 -7.693 649 HB2 GLU 85 2HB GLU 85 -15.944 -5.906 -6.980 650 HB3 GLU 85 1HB GLU 85 -16.715 -7.134 -5.985 651 HG2 GLU 85 2HG GLU 85 -14.281 -6.251 -4.743 652 HG3 GLU 85 1HG GLU 85 -15.302 -4.869 -5.138 653 H SER 86 H SER 86 -14.060 -6.027 -8.524 654 HA SER 86 HA SER 86 -11.238 -6.279 -8.146 655 HG SER 86 HG SER 86 -10.736 -3.432 -9.589 656 HB2 SER 86 2HB SER 86 -12.255 -5.661 -10.328 657 HB3 SER 86 1HB SER 86 -12.773 -4.128 -9.630 658 H LEU 87 H LEU 87 -11.465 -5.919 -5.794 659 HA LEU 87 HA LEU 87 -11.682 -4.561 -3.903 660 HG LEU 87 HG LEU 87 -8.209 -4.765 -3.276 661 HB2 LEU 87 2HB LEU 87 -9.182 -4.399 -5.281 662 HB3 LEU 87 1HB LEU 87 -9.518 -2.843 -4.541 663 HD11 LEU 87 1HD1 LEU 87 -10.104 -2.690 -2.256 664 HD12 LEU 87 2HD1 LEU 87 -8.339 -2.687 -2.267 665 HD13 LEU 87 3HD1 LEU 87 -9.213 -3.713 -1.128 666 HD21 LEU 87 3HD2 LEU 87 -11.049 -5.256 -2.390 667 HD22 LEU 87 1HD2 LEU 87 -9.588 -5.992 -1.737 668 HD23 LEU 87 2HD2 LEU 87 -10.100 -6.365 -3.381 669 H GLU 88 H GLU 88 -13.287 -3.161 -3.578 670 HA GLU 88 HA GLU 88 -13.651 -0.835 -5.209 671 HB2 GLU 88 2HB GLU 88 -15.513 -1.946 -3.965 672 HB3 GLU 88 1HB GLU 88 -14.766 -1.436 -2.455 673 HG2 GLU 88 2HG GLU 88 -15.289 0.790 -2.796 674 HG3 GLU 88 1HG GLU 88 -15.479 0.584 -4.537 675 H ILE 89 H ILE 89 -11.849 0.455 -5.184 676 HA ILE 89 HA ILE 89 -11.138 1.583 -2.577 677 HB ILE 89 HB ILE 89 -8.813 1.481 -2.960 678 HG12 ILE 89 2HG1 ILE 89 -9.106 2.010 -5.513 679 HG13 ILE 89 1HG1 ILE 89 -7.702 1.115 -4.962 680 HG21 ILE 89 1HG2 ILE 89 -10.193 -1.054 -3.728 681 HG22 ILE 89 2HG2 ILE 89 -9.472 -0.602 -2.183 682 HG23 ILE 89 3HG2 ILE 89 -8.441 -0.967 -3.564 683 HD11 ILE 89 3HD1 ILE 89 -8.791 -0.978 -5.608 684 HD12 ILE 89 1HD1 ILE 89 -8.607 0.130 -6.969 685 HD13 ILE 89 2HD1 ILE 89 -10.181 -0.061 -6.195 686 H ALA 90 H ALA 90 -11.158 3.807 -2.532 687 HA ALA 90 HA ALA 90 -11.406 5.139 -5.133 688 HB1 ALA 90 3HB ALA 90 -13.091 5.560 -3.265 689 HB2 ALA 90 1HB ALA 90 -12.384 6.979 -4.035 690 HB3 ALA 90 2HB ALA 90 -11.804 6.458 -2.455 691 H TRP 91 H TRP 91 -9.556 5.733 -5.975 692 HA TRP 91 HA TRP 91 -7.323 6.478 -4.258 693 HD1 TRP 91 HD TRP 91 -8.563 4.139 -7.874 694 HE1 TRP 91 1HE TRP 91 -9.271 5.052 -10.175 695 HE3 TRP 91 3HE TRP 91 -6.354 8.744 -7.635 696 HZ2 TRP 91 2HZ TRP 91 -8.936 7.413 -11.686 697 HZ3 TRP 91 3HZ TRP 91 -6.596 10.269 -9.550 698 HH2 TRP 91 HH TRP 91 -7.861 9.616 -11.534 699 HB2 TRP 91 2HB TRP 91 -5.998 6.438 -6.346 700 HB3 TRP 91 1HB TRP 91 -6.846 4.921 -6.065 701 H GLN 92 H GLN 92 -6.584 8.487 -4.002 702 HA GLN 92 HA GLN 92 -8.102 10.656 -5.209 703 HB2 GLN 92 2HB GLN 92 -5.970 10.625 -3.066 704 HB3 GLN 92 1HB GLN 92 -6.759 12.086 -3.645 705 HG2 GLN 92 2HG GLN 92 -8.922 11.195 -2.910 706 HG3 GLN 92 1HG GLN 92 -8.106 9.758 -2.295 707 HE21 GLN 92 1HE2 GLN 92 -8.308 9.905 -0.161 708 HE22 GLN 92 2HE2 GLN 92 -7.832 11.261 0.799 709 HA PRO 93 HA PRO 93 -5.411 11.917 -8.445 710 HB2 PRO 93 2HB PRO 93 -5.251 14.526 -7.019 711 HB3 PRO 93 1HB PRO 93 -5.601 14.199 -8.719 712 HG2 PRO 93 2HG PRO 93 -7.558 14.833 -7.024 713 HG3 PRO 93 1HG PRO 93 -7.804 13.621 -8.295 714 HD2 PRO 93 2HD PRO 93 -7.467 13.253 -5.368 715 HD3 PRO 93 1HD PRO 93 -8.365 12.265 -6.537 716 H ALA 94 H ALA 94 -4.473 12.952 -5.184 717 HA ALA 94 HA ALA 94 -2.462 12.397 -4.118 718 HB1 ALA 94 3HB ALA 94 -0.626 11.497 -5.168 719 HB2 ALA 94 1HB ALA 94 -0.907 12.405 -6.653 720 HB3 ALA 94 2HB ALA 94 -1.904 11.002 -6.281 721 H GLU 95 H GLU 95 -3.660 14.911 -4.814 722 HA GLU 95 HA GLU 95 -1.277 16.591 -4.565 723 HB2 GLU 95 2HB GLU 95 -2.460 16.452 -6.973 724 HB3 GLU 95 1HB GLU 95 -3.464 17.696 -6.239 725 HG2 GLU 95 2HG GLU 95 -1.779 18.865 -7.343 726 HG3 GLU 95 1HG GLU 95 -1.291 18.876 -5.650 727 H SER 96 H SER 96 -1.477 18.137 -3.055 728 HA SER 96 HA SER 96 -4.103 19.092 -2.258 729 HG SER 96 HG SER 96 -4.154 16.319 -0.301 730 HB2 SER 96 2HB SER 96 -2.348 17.388 -0.533 731 HB3 SER 96 1HB SER 96 -3.295 18.671 0.219 Start of MODEL 13 1 HA MET 1 HA MET 1 6.860 13.294 -5.033 2 HB2 MET 1 2HB MET 1 7.491 13.538 -2.713 3 HB3 MET 1 1HB MET 1 8.800 14.088 -3.752 4 HG2 MET 1 2HG MET 1 6.999 16.238 -2.996 5 HG3 MET 1 1HG MET 1 7.727 15.439 -1.606 6 HE1 MET 1 3HE MET 1 9.181 18.104 -1.139 7 HE2 MET 1 1HE MET 1 7.887 18.321 -2.318 8 HE3 MET 1 2HE MET 1 9.510 18.914 -2.670 9 H PHE 2 H PHE 2 4.769 13.368 -5.597 10 HA PHE 2 HA PHE 2 2.940 15.131 -4.136 11 HD1 PHE 2 2HD PHE 2 3.474 16.527 -6.533 12 HD2 PHE 2 1HD PHE 2 2.860 12.602 -8.058 13 HE1 PHE 2 2HE PHE 2 4.792 17.100 -8.530 14 HE2 PHE 2 1HE PHE 2 4.166 13.171 -10.058 15 HZ PHE 2 HZ PHE 2 5.139 15.421 -10.298 16 HB2 PHE 2 2HB PHE 2 1.840 13.202 -6.097 17 HB3 PHE 2 1HB PHE 2 1.466 14.905 -5.870 18 H ARG 3 H ARG 3 0.781 13.937 -3.418 19 HA ARG 3 HA ARG 3 1.347 11.209 -2.606 20 HE ARG 3 HE ARG 3 4.522 10.688 1.498 21 HB2 ARG 3 2HB ARG 3 1.891 13.296 -0.809 22 HB3 ARG 3 1HB ARG 3 0.393 12.561 -0.248 23 HG2 ARG 3 2HG ARG 3 1.696 11.072 0.757 24 HG3 ARG 3 1HG ARG 3 1.939 10.387 -0.837 25 HD2 ARG 3 2HD ARG 3 4.097 10.882 -0.747 26 HD3 ARG 3 1HD ARG 3 3.721 12.586 -0.508 27 HH11 ARG 3 1HH1 ARG 3 2.878 13.709 0.901 28 HH12 ARG 3 2HH1 ARG 3 3.124 14.304 2.509 29 HH21 ARG 3 1HH2 ARG 3 4.847 11.470 3.613 30 HH22 ARG 3 2HH2 ARG 3 4.242 13.034 4.047 31 H SER 4 H SER 4 -0.363 9.992 -2.776 32 HA SER 4 HA SER 4 -3.058 11.164 -2.624 33 HG SER 4 HG SER 4 -3.221 7.776 -3.739 34 HB2 SER 4 2HB SER 4 -3.131 10.379 -4.784 35 HB3 SER 4 1HB SER 4 -1.810 9.235 -4.517 36 H THR 5 H THR 5 -4.732 9.564 -1.819 37 HA THR 5 HA THR 5 -3.596 7.419 -0.221 38 HB THR 5 HB THR 5 -4.562 8.125 1.864 39 HG1 THR 5 1HG THR 5 -5.689 10.198 0.320 40 HG21 THR 5 3HG2 THR 5 -3.386 10.710 0.963 41 HG22 THR 5 1HG2 THR 5 -2.365 9.274 1.053 42 HG23 THR 5 2HG2 THR 5 -3.200 9.854 2.490 43 H SER 6 H SER 6 -4.766 5.646 -0.352 44 HA SER 6 HA SER 6 -7.602 5.905 -1.124 45 HG SER 6 HG SER 6 -7.746 3.389 -3.121 46 HB2 SER 6 2HB SER 6 -6.124 4.658 -2.703 47 HB3 SER 6 1HB SER 6 -5.806 3.486 -1.424 48 H HIS 7 H HIS 7 -9.185 5.069 0.145 49 HA HIS 7 HA HIS 7 -8.345 3.660 2.606 50 HD1 HIS 7 1HD HIS 7 -11.409 2.903 3.708 51 HD2 HIS 7 2HD HIS 7 -9.643 6.147 5.606 52 HE1 HIS 7 1HE HIS 7 -11.897 2.599 6.153 53 HE2 HIS 7 2HE HIS 7 -10.750 4.530 7.290 54 HB2 HIS 7 2HB HIS 7 -9.255 5.966 2.951 55 HB3 HIS 7 1HB HIS 7 -10.778 5.426 2.266 56 H VAL 8 H VAL 8 -9.268 1.729 3.084 57 HA VAL 8 HA VAL 8 -11.700 0.910 1.655 58 HB VAL 8 HB VAL 8 -9.382 -0.993 1.908 59 HG11 VAL 8 1HG1 VAL 8 -11.651 -1.896 1.537 60 HG12 VAL 8 2HG1 VAL 8 -10.543 -2.253 0.214 61 HG13 VAL 8 3HG1 VAL 8 -11.745 -0.977 0.035 62 HG21 VAL 8 3HG2 VAL 8 -9.999 0.615 -0.559 63 HG22 VAL 8 1HG2 VAL 8 -8.670 -0.515 -0.315 64 HG23 VAL 8 2HG2 VAL 8 -8.705 1.010 0.570 65 H ARG 9 H ARG 9 -12.870 -0.837 2.692 66 HA ARG 9 HA ARG 9 -12.166 -1.074 5.538 67 HE ARG 9 HE ARG 9 -14.257 2.914 6.478 68 HB2 ARG 9 2HB ARG 9 -14.755 -1.120 4.079 69 HB3 ARG 9 1HB ARG 9 -14.613 -2.157 5.489 70 HG2 ARG 9 2HG ARG 9 -15.548 -0.088 6.189 71 HG3 ARG 9 1HG ARG 9 -13.894 -0.171 6.801 72 HD2 ARG 9 2HD ARG 9 -13.112 1.372 5.227 73 HD3 ARG 9 1HD ARG 9 -14.532 1.179 4.200 74 HH11 ARG 9 1HH1 ARG 9 -16.513 1.195 4.443 75 HH12 ARG 9 2HH1 ARG 9 -17.839 2.245 4.812 76 HH21 ARG 9 1HH2 ARG 9 -16.000 4.295 6.966 77 HH22 ARG 9 2HH2 ARG 9 -17.548 4.005 6.244 78 H THR 10 H THR 10 -10.866 -2.784 5.822 79 HA THR 10 HA THR 10 -11.751 -5.370 4.737 80 HB THR 10 HB THR 10 -9.509 -4.003 3.872 81 HG1 THR 10 1HG THR 10 -10.165 -6.755 3.786 82 HG21 THR 10 3HG2 THR 10 -8.344 -6.375 5.169 83 HG22 THR 10 1HG2 THR 10 -8.578 -4.944 6.180 84 HG23 THR 10 2HG2 THR 10 -7.600 -4.842 4.707 85 H GLU 11 H GLU 11 -11.008 -7.268 5.933 86 HA GLU 11 HA GLU 11 -10.612 -6.641 8.780 87 HB2 GLU 11 2HB GLU 11 -12.360 -8.427 7.427 88 HB3 GLU 11 1HB GLU 11 -11.251 -9.390 8.393 89 HG2 GLU 11 2HG GLU 11 -12.290 -8.842 10.269 90 HG3 GLU 11 1HG GLU 11 -12.209 -7.123 9.882 91 H SER 12 H SER 12 -8.999 -7.716 10.009 92 HA SER 12 HA SER 12 -6.965 -8.637 10.406 93 HG SER 12 HG SER 12 -5.990 -11.498 9.691 94 HB2 SER 12 2HB SER 12 -7.928 -10.736 9.839 95 HB3 SER 12 1HB SER 12 -7.859 -10.384 8.111 96 H ALA 13 H ALA 13 -7.255 -6.391 8.568 97 HA ALA 13 HA ALA 13 -5.602 -6.410 6.349 98 HB1 ALA 13 3HB ALA 13 -5.401 -4.025 6.628 99 HB2 ALA 13 1HB ALA 13 -5.902 -4.169 8.308 100 HB3 ALA 13 2HB ALA 13 -7.041 -4.536 7.020 101 H ALA 14 H ALA 14 -4.619 -5.516 9.643 102 HA ALA 14 HA ALA 14 -2.053 -4.744 9.282 103 HB1 ALA 14 3HB ALA 14 -1.570 -5.691 11.543 104 HB2 ALA 14 1HB ALA 14 -3.176 -6.420 11.497 105 HB3 ALA 14 2HB ALA 14 -3.001 -4.665 11.420 106 H ARG 15 H ARG 15 -3.098 -8.045 8.802 107 HA ARG 15 HA ARG 15 -0.425 -9.110 8.958 108 HE ARG 15 HE ARG 15 -1.171 -13.908 7.432 109 HB2 ARG 15 2HB ARG 15 -2.634 -10.316 9.476 110 HB3 ARG 15 1HB ARG 15 -2.793 -10.502 7.737 111 HG2 ARG 15 2HG ARG 15 -0.440 -11.452 9.348 112 HG3 ARG 15 1HG ARG 15 -1.808 -12.459 8.887 113 HD2 ARG 15 2HD ARG 15 -0.836 -11.184 6.549 114 HD3 ARG 15 1HD ARG 15 0.546 -11.854 7.403 115 HH11 ARG 15 1HH1 ARG 15 -0.135 -11.806 4.842 116 HH12 ARG 15 2HH1 ARG 15 -0.341 -13.012 3.617 117 HH21 ARG 15 1HH2 ARG 15 -1.438 -15.492 5.818 118 HH22 ARG 15 2HH2 ARG 15 -1.080 -15.103 4.170 119 H TYR 16 H TYR 16 -2.648 -8.190 6.391 120 HA TYR 16 HA TYR 16 -1.112 -9.258 4.258 121 HD1 TYR 16 1HD TYR 16 -2.747 -10.629 4.442 122 HD2 TYR 16 2HD TYR 16 -5.332 -7.433 3.329 123 HE1 TYR 16 1HE TYR 16 -4.658 -12.143 4.552 124 HE2 TYR 16 2HE TYR 16 -7.253 -8.953 3.449 125 HH TYR 16 HH TYR 16 -7.830 -11.109 4.622 126 HB2 TYR 16 2HB TYR 16 -3.081 -6.964 4.181 127 HB3 TYR 16 1HB TYR 16 -2.444 -7.808 2.780 128 H VAL 17 H VAL 17 -0.759 -6.414 6.175 129 HA VAL 17 HA VAL 17 0.986 -5.116 4.249 130 HB VAL 17 HB VAL 17 0.103 -4.413 7.036 131 HG11 VAL 17 1HG1 VAL 17 1.576 -2.251 6.268 132 HG12 VAL 17 2HG1 VAL 17 2.588 -3.585 5.717 133 HG13 VAL 17 3HG1 VAL 17 2.115 -3.476 7.414 134 HG21 VAL 17 3HG2 VAL 17 -0.009 -2.872 4.457 135 HG22 VAL 17 1HG2 VAL 17 -0.721 -2.403 6.000 136 HG23 VAL 17 2HG2 VAL 17 -1.336 -3.816 5.134 137 H ASN 18 H ASN 18 1.281 -6.788 7.364 138 HA ASN 18 HA ASN 18 4.086 -6.488 7.567 139 HB2 ASN 18 2HB ASN 18 2.343 -8.566 8.895 140 HB3 ASN 18 1HB ASN 18 3.941 -8.042 9.418 141 HD21 ASN 18 1HD2 ASN 18 2.657 -7.724 11.428 142 HD22 ASN 18 2HD2 ASN 18 1.900 -6.187 11.656 143 H ARG 19 H ARG 19 2.075 -8.927 6.020 144 HA ARG 19 HA ARG 19 4.193 -10.830 5.814 145 HE ARG 19 HE ARG 19 2.729 -11.295 7.300 146 HB2 ARG 19 2HB ARG 19 1.501 -10.999 5.639 147 HB3 ARG 19 1HB ARG 19 1.935 -11.036 3.934 148 HG2 ARG 19 2HG ARG 19 2.020 -13.250 4.389 149 HG3 ARG 19 1HG ARG 19 3.680 -12.810 4.778 150 HD2 ARG 19 2HD ARG 19 1.414 -13.456 6.616 151 HD3 ARG 19 1HD ARG 19 3.048 -14.106 6.590 152 HH11 ARG 19 1HH1 ARG 19 3.284 -14.578 8.362 153 HH12 ARG 19 2HH1 ARG 19 3.936 -14.100 9.892 154 HH21 ARG 19 1HH2 ARG 19 3.583 -10.673 9.311 155 HH22 ARG 19 2HH2 ARG 19 4.104 -11.886 10.431 156 H LEU 20 H LEU 20 3.338 -8.056 3.993 157 HA LEU 20 HA LEU 20 4.340 -8.918 1.470 158 HG LEU 20 HG LEU 20 1.846 -7.017 2.527 159 HB2 LEU 20 2HB LEU 20 4.024 -6.121 2.536 160 HB3 LEU 20 1HB LEU 20 4.299 -6.544 0.859 161 HD11 LEU 20 1HD1 LEU 20 2.213 -4.831 1.377 162 HD12 LEU 20 2HD1 LEU 20 0.757 -5.687 0.865 163 HD13 LEU 20 3HD1 LEU 20 2.195 -5.700 -0.157 164 HD21 LEU 20 3HD2 LEU 20 2.504 -8.227 -0.164 165 HD22 LEU 20 1HD2 LEU 20 0.886 -8.158 0.528 166 HD23 LEU 20 2HD2 LEU 20 2.146 -9.086 1.334 167 H CYS 21 H CYS 21 5.778 -6.959 4.081 168 HA CYS 21 HA CYS 21 8.171 -6.313 2.850 169 HG CYS 21 HG CYS 21 7.706 -8.308 6.123 170 HB2 CYS 21 2HB CYS 21 9.145 -6.140 5.100 171 HB3 CYS 21 1HB CYS 21 7.534 -5.430 5.052 172 H LYS 22 H LYS 22 7.266 -9.278 4.507 173 HA LYS 22 HA LYS 22 9.851 -10.492 4.184 174 HB2 LYS 22 2HB LYS 22 7.193 -11.731 4.910 175 HB3 LYS 22 1HB LYS 22 8.760 -12.516 5.046 176 HG2 LYS 22 2HG LYS 22 9.195 -11.549 7.009 177 HG3 LYS 22 1HG LYS 22 8.645 -9.967 6.458 178 HD2 LYS 22 2HD LYS 22 7.202 -10.614 8.229 179 HD3 LYS 22 1HD LYS 22 6.288 -10.814 6.733 180 HE2 LYS 22 2HE LYS 22 5.834 -12.752 7.959 181 HE3 LYS 22 1HE LYS 22 7.061 -13.245 6.792 182 HZ1 LYS 22 3HZ LYS 22 7.605 -14.122 8.939 183 HZ2 LYS 22 1HZ LYS 22 7.502 -12.593 9.656 184 HZ3 LYS 22 2HZ LYS 22 8.737 -12.929 8.550 185 H HIS 23 H HIS 23 7.039 -10.111 2.279 186 HA HIS 23 HA HIS 23 7.509 -12.405 0.593 187 HD1 HIS 23 1HD HIS 23 3.476 -12.741 0.194 188 HD2 HIS 23 2HD HIS 23 6.703 -12.206 -2.369 189 HE1 HIS 23 1HE HIS 23 3.029 -14.243 -1.774 190 HE2 HIS 23 2HE HIS 23 5.038 -13.969 -3.268 191 HB2 HIS 23 2HB HIS 23 5.234 -11.299 1.192 192 HB3 HIS 23 1HB HIS 23 5.635 -10.168 -0.096 193 H TRP 24 H TRP 24 7.309 -8.884 -0.130 194 HA TRP 24 HA TRP 24 8.793 -9.331 -2.579 195 HD1 TRP 24 HD TRP 24 5.118 -6.842 -1.586 196 HE1 TRP 24 1HE TRP 24 3.426 -7.835 -3.251 197 HE3 TRP 24 3HE TRP 24 8.375 -9.188 -4.753 198 HZ2 TRP 24 2HZ TRP 24 3.466 -9.405 -5.597 199 HZ3 TRP 24 3HZ TRP 24 7.467 -10.414 -6.683 200 HH2 TRP 24 HH TRP 24 5.062 -10.520 -7.095 201 HB2 TRP 24 2HB TRP 24 7.653 -6.825 -1.338 202 HB3 TRP 24 1HB TRP 24 8.473 -6.876 -2.894 203 H GLY 25 H GLY 25 9.645 -8.704 0.658 204 HA2 GLY 25 2HA GLY 25 11.854 -6.967 0.239 205 HA3 GLY 25 1HA GLY 25 11.586 -7.974 1.648 206 H HIS 26 H HIS 26 12.477 -8.352 -1.779 207 HA HIS 26 HA HIS 26 14.411 -10.406 -0.938 208 HD1 HIS 26 1HD HIS 26 11.931 -11.506 -0.674 209 HD2 HIS 26 2HD HIS 26 13.870 -13.454 -3.791 210 HE1 HIS 26 1HE HIS 26 11.480 -13.955 -0.321 211 HE2 HIS 26 2HE HIS 26 12.736 -15.119 -2.168 212 HB2 HIS 26 2HB HIS 26 12.622 -10.155 -3.284 213 HB3 HIS 26 1HB HIS 26 14.237 -10.777 -3.611 214 H LYS 27 H LYS 27 13.945 -7.425 -2.695 215 HA LYS 27 HA LYS 27 16.835 -7.022 -2.739 216 HB2 LYS 27 2HB LYS 27 16.530 -8.066 -4.869 217 HB3 LYS 27 1HB LYS 27 15.108 -7.098 -5.217 218 HG2 LYS 27 2HG LYS 27 17.509 -5.499 -4.765 219 HG3 LYS 27 1HG LYS 27 17.644 -6.614 -6.125 220 HD2 LYS 27 2HD LYS 27 16.213 -5.434 -7.375 221 HD3 LYS 27 1HD LYS 27 15.078 -5.243 -6.039 222 HE2 LYS 27 2HE LYS 27 15.886 -3.220 -5.470 223 HE3 LYS 27 1HE LYS 27 17.553 -3.666 -5.826 224 HZ1 LYS 27 3HZ LYS 27 16.721 -1.960 -7.335 225 HZ2 LYS 27 1HZ LYS 27 15.490 -2.998 -7.855 226 HZ3 LYS 27 2HZ LYS 27 17.108 -3.378 -8.172 227 H PHE 28 H PHE 28 14.287 -5.898 -1.501 228 HA PHE 28 HA PHE 28 14.927 -3.109 -2.063 229 HD1 PHE 28 1HD PHE 28 13.526 -1.174 -3.551 230 HD2 PHE 28 2HD PHE 28 12.452 -5.196 -4.430 231 HE1 PHE 28 1HE PHE 28 13.732 -0.698 -5.957 232 HE2 PHE 28 2HE PHE 28 12.654 -4.730 -6.837 233 HZ PHE 28 HZ PHE 28 13.296 -2.478 -7.603 234 HB2 PHE 28 2HB PHE 28 12.201 -4.356 -2.243 235 HB3 PHE 28 1HB PHE 28 12.399 -2.642 -1.889 236 H GLU 29 H GLU 29 14.323 -1.633 -0.402 237 HA GLU 29 HA GLU 29 14.652 -2.775 2.214 238 HB2 GLU 29 2HB GLU 29 14.350 -0.337 2.933 239 HB3 GLU 29 1HB GLU 29 15.739 -0.711 1.921 240 HG2 GLU 29 2HG GLU 29 13.359 0.029 0.410 241 HG3 GLU 29 1HG GLU 29 13.941 1.292 1.492 242 H VAL 30 H VAL 30 13.004 -3.767 3.159 243 HA VAL 30 HA VAL 30 10.348 -2.512 2.993 244 HB VAL 30 HB VAL 30 9.658 -5.018 3.593 245 HG11 VAL 30 1HG1 VAL 30 10.179 -3.782 0.915 246 HG12 VAL 30 2HG1 VAL 30 8.643 -4.046 1.744 247 HG13 VAL 30 3HG1 VAL 30 9.515 -5.409 1.052 248 HG21 VAL 30 3HG2 VAL 30 12.205 -5.558 3.465 249 HG22 VAL 30 1HG2 VAL 30 11.918 -5.585 1.723 250 HG23 VAL 30 2HG2 VAL 30 11.028 -6.679 2.786 251 H GLU 31 H GLU 31 9.760 -1.635 4.873 252 HA GLU 31 HA GLU 31 10.849 -2.682 7.370 253 HB2 GLU 31 2HB GLU 31 10.297 -0.108 6.471 254 HB3 GLU 31 1HB GLU 31 9.003 -0.440 7.614 255 HG2 GLU 31 2HG GLU 31 10.707 -1.055 9.297 256 HG3 GLU 31 1HG GLU 31 11.960 -0.588 8.147 257 H LEU 32 H LEU 32 9.405 -3.098 9.199 258 HA LEU 32 HA LEU 32 6.640 -3.710 8.448 259 HG LEU 32 HG LEU 32 5.914 -6.306 8.239 260 HB2 LEU 32 2HB LEU 32 8.213 -5.694 8.181 261 HB3 LEU 32 1HB LEU 32 8.341 -5.700 9.926 262 HD11 LEU 32 1HD1 LEU 32 7.797 -7.980 8.992 263 HD12 LEU 32 2HD1 LEU 32 6.095 -8.441 9.019 264 HD13 LEU 32 3HD1 LEU 32 6.899 -7.950 10.510 265 HD21 LEU 32 3HD2 LEU 32 6.063 -5.621 11.167 266 HD22 LEU 32 1HD2 LEU 32 4.768 -6.610 10.493 267 HD23 LEU 32 2HD2 LEU 32 4.990 -4.952 9.938 268 H THR 33 H THR 33 5.478 -2.541 9.809 269 HA THR 33 HA THR 33 6.093 -2.758 12.704 270 HB THR 33 HB THR 33 4.957 -0.382 12.735 271 HG1 THR 33 1HG THR 33 6.064 -0.457 10.127 272 HG21 THR 33 3HG2 THR 33 7.266 0.657 12.109 273 HG22 THR 33 1HG2 THR 33 7.789 -1.027 12.102 274 HG23 THR 33 2HG2 THR 33 7.087 -0.328 13.561 275 HA PRO 34 HA PRO 34 1.866 -4.023 12.945 276 HB2 PRO 34 2HB PRO 34 1.175 -3.219 15.436 277 HB3 PRO 34 1HB PRO 34 2.255 -4.579 15.126 278 HG2 PRO 34 2HG PRO 34 2.915 -1.786 15.941 279 HG3 PRO 34 1HG PRO 34 3.655 -3.310 16.461 280 HD2 PRO 34 2HD PRO 34 4.745 -1.630 14.581 281 HD3 PRO 34 1HD PRO 34 5.069 -3.373 14.661 282 H GLU 35 H GLU 35 2.029 -1.855 11.420 283 HA GLU 35 HA GLU 35 -0.447 -0.507 11.877 284 HB2 GLU 35 2HB GLU 35 2.145 1.047 12.027 285 HB3 GLU 35 1HB GLU 35 0.559 1.785 11.830 286 HG2 GLU 35 2HG GLU 35 -0.068 0.592 13.994 287 HG3 GLU 35 1HG GLU 35 1.662 0.313 14.194 288 H ARG 36 H ARG 36 2.560 -0.762 10.014 289 HA ARG 36 HA ARG 36 1.163 -0.849 7.560 290 HE ARG 36 HE ARG 36 4.568 3.690 7.684 291 HB2 ARG 36 2HB ARG 36 2.292 1.236 6.618 292 HB3 ARG 36 1HB ARG 36 0.918 1.496 7.678 293 HG2 ARG 36 2HG ARG 36 2.557 1.833 9.553 294 HG3 ARG 36 1HG ARG 36 3.833 1.811 8.334 295 HD2 ARG 36 2HD ARG 36 1.891 3.599 7.387 296 HD3 ARG 36 1HD ARG 36 2.081 3.953 9.104 297 HH11 ARG 36 1HH1 ARG 36 2.009 5.879 8.604 298 HH12 ARG 36 2HH1 ARG 36 2.998 7.293 8.459 299 HH21 ARG 36 1HH2 ARG 36 5.869 5.550 7.493 300 HH22 ARG 36 2HH2 ARG 36 5.187 7.107 7.827 301 H GLY 37 H GLY 37 2.664 -0.725 5.672 302 HA2 GLY 37 2HA GLY 37 5.271 -1.904 6.395 303 HA3 GLY 37 1HA GLY 37 4.354 -2.345 4.953 304 H PHE 38 H PHE 38 7.106 -1.187 5.167 305 HA PHE 38 HA PHE 38 6.613 1.210 3.513 306 HD1 PHE 38 1HD PHE 38 7.250 3.627 3.724 307 HD2 PHE 38 2HD PHE 38 10.814 1.674 5.000 308 HE1 PHE 38 1HE PHE 38 8.587 5.473 2.812 309 HE2 PHE 38 2HE PHE 38 12.156 3.509 4.069 310 HZ PHE 38 HZ PHE 38 11.044 5.412 2.971 311 HB2 PHE 38 2HB PHE 38 7.414 1.863 5.719 312 HB3 PHE 38 1HB PHE 38 8.777 0.765 5.580 313 H ILE 39 H ILE 39 7.260 0.876 1.519 314 HA ILE 39 HA ILE 39 9.731 -0.688 1.075 315 HB ILE 39 HB ILE 39 7.494 -0.874 -0.916 316 HG12 ILE 39 2HG1 ILE 39 7.727 -2.436 1.655 317 HG13 ILE 39 1HG1 ILE 39 6.297 -1.704 0.939 318 HG21 ILE 39 1HG2 ILE 39 9.090 -3.239 -0.549 319 HG22 ILE 39 2HG2 ILE 39 10.126 -1.827 -0.748 320 HG23 ILE 39 3HG2 ILE 39 8.919 -2.212 -1.971 321 HD11 ILE 39 3HD1 ILE 39 7.718 -4.107 -0.177 322 HD12 ILE 39 1HD1 ILE 39 6.194 -3.417 -0.737 323 HD13 ILE 39 2HD1 ILE 39 6.291 -4.160 0.857 324 H ASP 40 H ASP 40 11.076 0.970 0.453 325 HA ASP 40 HA ASP 40 10.039 2.838 -1.556 326 HB2 ASP 40 2HB ASP 40 12.207 4.130 -0.895 327 HB3 ASP 40 1HB ASP 40 10.798 4.190 0.155 328 H PHE 41 H PHE 41 10.821 2.915 -3.503 329 HA PHE 41 HA PHE 41 12.951 1.033 -4.237 330 HD1 PHE 41 2HD PHE 41 11.092 -0.136 -3.743 331 HD2 PHE 41 1HD PHE 41 10.645 0.481 -7.934 332 HE1 PHE 41 2HE PHE 41 10.103 -2.371 -3.963 333 HE2 PHE 41 1HE PHE 41 9.652 -1.759 -8.157 334 HZ PHE 41 HZ PHE 41 9.380 -3.187 -6.170 335 HB2 PHE 41 2HB PHE 41 10.733 2.417 -5.708 336 HB3 PHE 41 1HB PHE 41 12.139 1.877 -6.609 337 H GLY 42 H GLY 42 13.057 3.948 -3.064 338 HA2 GLY 42 2HA GLY 42 15.107 5.202 -3.181 339 HA3 GLY 42 1HA GLY 42 15.174 4.856 -4.904 340 H ASP 43 H ASP 43 14.005 6.116 -6.336 341 HA ASP 43 HA ASP 43 13.074 8.664 -5.278 342 HB2 ASP 43 2HB ASP 43 14.429 8.001 -7.573 343 HB3 ASP 43 1HB ASP 43 12.780 8.167 -8.168 344 H SER 44 H SER 44 11.480 6.841 -4.313 345 HA SER 44 HA SER 44 8.902 7.500 -4.893 346 HG SER 44 HG SER 44 10.148 4.321 -6.826 347 HB2 SER 44 2HB SER 44 8.368 5.149 -6.103 348 HB3 SER 44 1HB SER 44 8.704 6.624 -7.010 349 H ASN 45 H ASN 45 7.327 6.060 -3.721 350 HA ASN 45 HA ASN 45 8.489 3.880 -2.205 351 HB2 ASN 45 2HB ASN 45 7.170 5.942 -0.502 352 HB3 ASN 45 1HB ASN 45 8.430 4.790 -0.086 353 HD21 ASN 45 1HD2 ASN 45 10.110 5.887 0.611 354 HD22 ASN 45 2HD2 ASN 45 10.803 7.278 -0.142 355 H CYS 46 H CYS 46 6.806 2.902 -0.696 356 HA CYS 46 HA CYS 46 4.054 3.498 -1.408 357 HG CYS 46 HG CYS 46 2.907 0.110 -2.804 358 HB2 CYS 46 2HB CYS 46 4.710 1.960 -3.184 359 HB3 CYS 46 1HB CYS 46 5.299 0.801 -1.996 360 H GLU 47 H GLU 47 3.403 3.822 0.643 361 HA GLU 47 HA GLU 47 4.070 1.812 2.674 362 HB2 GLU 47 2HB GLU 47 4.400 4.451 2.845 363 HB3 GLU 47 1HB GLU 47 2.721 4.391 3.351 364 HG2 GLU 47 2HG GLU 47 3.209 3.307 5.316 365 HG3 GLU 47 1HG GLU 47 4.703 2.607 4.693 366 H LEU 48 H LEU 48 2.382 0.960 4.038 367 HA LEU 48 HA LEU 48 -0.341 1.484 3.112 368 HG LEU 48 HG LEU 48 1.597 -1.755 3.907 369 HB2 LEU 48 2HB LEU 48 -0.702 -1.090 3.332 370 HB3 LEU 48 1HB LEU 48 -0.135 -0.390 1.830 371 HD11 LEU 48 1HD1 LEU 48 1.395 -3.675 2.772 372 HD12 LEU 48 2HD1 LEU 48 1.377 -2.871 1.203 373 HD13 LEU 48 3HD1 LEU 48 -0.099 -2.966 2.162 374 HD21 LEU 48 3HD2 LEU 48 3.190 -0.482 2.937 375 HD22 LEU 48 1HD2 LEU 48 2.201 -0.131 1.521 376 HD23 LEU 48 2HD2 LEU 48 3.068 -1.663 1.634 377 H LEU 49 H LEU 49 -1.680 1.799 4.714 378 HA LEU 49 HA LEU 49 -0.854 1.017 7.424 379 HG LEU 49 HG LEU 49 -2.238 1.809 9.211 380 HB2 LEU 49 2HB LEU 49 -1.866 3.334 6.727 381 HB3 LEU 49 1HB LEU 49 -3.394 2.477 6.814 382 HD11 LEU 49 1HD1 LEU 49 -1.771 4.414 9.858 383 HD12 LEU 49 2HD1 LEU 49 -1.040 4.305 8.257 384 HD13 LEU 49 3HD1 LEU 49 -0.523 3.209 9.538 385 HD21 LEU 49 3HD2 LEU 49 -4.525 2.426 9.009 386 HD22 LEU 49 1HD2 LEU 49 -4.106 4.054 8.476 387 HD23 LEU 49 2HD2 LEU 49 -3.784 3.561 10.138 388 H ALA 50 H ALA 50 -1.719 -0.689 8.471 389 HA ALA 50 HA ALA 50 -4.176 -1.821 7.351 390 HB1 ALA 50 3HB ALA 50 -1.543 -3.139 7.667 391 HB2 ALA 50 1HB ALA 50 -2.699 -3.212 6.339 392 HB3 ALA 50 2HB ALA 50 -3.015 -4.085 7.825 393 H HIS 51 H HIS 51 -5.621 -1.647 8.848 394 HA HIS 51 HA HIS 51 -4.977 -2.490 11.575 395 HD1 HIS 51 1HD HIS 51 -6.385 0.601 13.689 396 HD2 HIS 51 2HD HIS 51 -8.435 -2.847 12.589 397 HE1 HIS 51 1HE HIS 51 -7.800 -0.009 15.671 398 HE2 HIS 51 2HE HIS 51 -9.086 -2.048 14.952 399 HB2 HIS 51 2HB HIS 51 -5.704 -0.156 11.457 400 HB3 HIS 51 1HB HIS 51 -7.161 -0.621 10.599 401 HA PRO 52 HA PRO 52 -7.162 -6.288 11.310 402 HB2 PRO 52 2HB PRO 52 -8.701 -5.086 13.586 403 HB3 PRO 52 1HB PRO 52 -8.042 -6.716 13.410 404 HG2 PRO 52 2HG PRO 52 -6.771 -4.820 14.828 405 HG3 PRO 52 1HG PRO 52 -5.897 -6.056 13.911 406 HD2 PRO 52 2HD PRO 52 -6.138 -3.175 13.385 407 HD3 PRO 52 1HD PRO 52 -4.968 -4.336 12.741 408 H ASP 53 H ASP 53 -8.930 -3.252 11.135 409 HA ASP 53 HA ASP 53 -11.007 -4.699 9.673 410 HB2 ASP 53 2HB ASP 53 -11.802 -4.166 11.988 411 HB3 ASP 53 1HB ASP 53 -11.605 -2.456 11.612 412 H HIS 54 H HIS 54 -8.745 -2.223 9.613 413 HA HIS 54 HA HIS 54 -10.041 -1.249 7.195 414 HD1 HIS 54 1HD HIS 54 -7.367 1.841 8.751 415 HD2 HIS 54 2HD HIS 54 -10.047 0.216 11.480 416 HE1 HIS 54 1HE HIS 54 -6.449 2.416 11.021 417 HE2 HIS 54 2HE HIS 54 -8.159 1.541 12.649 418 HB2 HIS 54 2HB HIS 54 -9.626 1.128 7.729 419 HB3 HIS 54 1HB HIS 54 -10.802 0.375 8.787 420 H VAL 55 H VAL 55 -8.589 -0.060 5.719 421 HA VAL 55 HA VAL 55 -5.751 -0.392 6.306 422 HB VAL 55 HB VAL 55 -6.830 -2.382 4.999 423 HG11 VAL 55 1HG1 VAL 55 -7.927 -0.995 3.291 424 HG12 VAL 55 2HG1 VAL 55 -6.804 -2.160 2.594 425 HG13 VAL 55 3HG1 VAL 55 -6.342 -0.465 2.731 426 HG21 VAL 55 3HG2 VAL 55 -4.733 -2.822 3.902 427 HG22 VAL 55 1HG2 VAL 55 -4.434 -2.075 5.469 428 HG23 VAL 55 2HG2 VAL 55 -4.291 -1.117 3.996 429 H LEU 56 H LEU 56 -4.487 1.152 5.448 430 HA LEU 56 HA LEU 56 -5.748 3.111 3.644 431 HG LEU 56 HG LEU 56 -6.480 4.755 5.536 432 HB2 LEU 56 2HB LEU 56 -4.473 3.483 6.198 433 HB3 LEU 56 1HB LEU 56 -3.538 4.309 4.976 434 HD11 LEU 56 1HD1 LEU 56 -5.877 6.740 6.649 435 HD12 LEU 56 2HD1 LEU 56 -4.198 6.620 6.127 436 HD13 LEU 56 3HD1 LEU 56 -4.836 5.481 7.312 437 HD21 LEU 56 3HD2 LEU 56 -5.860 6.899 4.176 438 HD22 LEU 56 1HD2 LEU 56 -6.265 5.408 3.327 439 HD23 LEU 56 2HD2 LEU 56 -4.577 5.885 3.521 440 H MET 57 H MET 57 -4.488 3.962 1.968 441 HA MET 57 HA MET 57 -1.920 2.610 1.509 442 HB2 MET 57 2HB MET 57 -3.856 3.182 -0.712 443 HB3 MET 57 1HB MET 57 -2.466 2.103 -0.717 444 HG2 MET 57 2HG MET 57 -3.608 0.631 0.883 445 HG3 MET 57 1HG MET 57 -5.010 1.702 0.837 446 HE1 MET 57 3HE MET 57 -6.852 0.430 0.063 447 HE2 MET 57 1HE MET 57 -7.116 0.038 -1.636 448 HE3 MET 57 2HE MET 57 -6.825 1.708 -1.152 449 H ILE 58 H ILE 58 -0.345 4.114 1.495 450 HA ILE 58 HA ILE 58 -0.908 6.662 0.138 451 HB ILE 58 HB ILE 58 0.935 6.291 2.504 452 HG12 ILE 58 2HG1 ILE 58 -1.925 6.608 2.435 453 HG13 ILE 58 1HG1 ILE 58 -0.873 6.415 3.823 454 HG21 ILE 58 1HG2 ILE 58 -0.023 8.793 1.129 455 HG22 ILE 58 2HG2 ILE 58 1.575 8.065 0.948 456 HG23 ILE 58 3HG2 ILE 58 1.073 8.712 2.509 457 HD11 ILE 58 3HD1 ILE 58 -0.703 8.691 4.178 458 HD12 ILE 58 1HD1 ILE 58 -2.377 8.498 3.662 459 HD13 ILE 58 2HD1 ILE 58 -1.166 9.092 2.524 460 H LEU 59 H LEU 59 0.592 7.347 -1.316 461 HA LEU 59 HA LEU 59 3.033 5.717 -1.572 462 HG LEU 59 HG LEU 59 1.248 6.947 -5.252 463 HB2 LEU 59 2HB LEU 59 2.892 5.734 -3.891 464 HB3 LEU 59 1HB LEU 59 1.244 5.449 -3.380 465 HD11 LEU 59 1HD1 LEU 59 -0.014 8.779 -4.343 466 HD12 LEU 59 2HD1 LEU 59 0.657 8.481 -2.742 467 HD13 LEU 59 3HD1 LEU 59 -0.412 7.291 -3.484 468 HD21 LEU 59 3HD2 LEU 59 2.531 9.212 -3.916 469 HD22 LEU 59 1HD2 LEU 59 2.626 8.675 -5.587 470 HD23 LEU 59 2HD2 LEU 59 3.622 7.903 -4.358 471 H ASN 60 H ASN 60 4.942 6.749 -2.065 472 HA ASN 60 HA ASN 60 4.851 9.696 -2.067 473 HB2 ASN 60 2HB ASN 60 7.157 8.094 -0.959 474 HB3 ASN 60 1HB ASN 60 6.818 9.808 -0.739 475 HD21 ASN 60 1HD2 ASN 60 5.366 6.629 -0.112 476 HD22 ASN 60 2HD2 ASN 60 4.723 7.041 1.437 477 H SER 61 H SER 61 5.129 10.126 -4.196 478 HA SER 61 HA SER 61 7.634 9.152 -5.394 479 HG SER 61 HG SER 61 5.653 7.114 -5.143 480 HB2 SER 61 2HB SER 61 5.376 8.975 -7.265 481 HB3 SER 61 1HB SER 61 6.735 7.883 -7.028 482 HA PRO 62 HA PRO 62 7.880 13.328 -6.878 483 HB2 PRO 62 2HB PRO 62 9.841 12.934 -8.698 484 HB3 PRO 62 1HB PRO 62 10.109 12.995 -6.955 485 HG2 PRO 62 2HG PRO 62 9.793 10.587 -8.715 486 HG3 PRO 62 1HG PRO 62 11.023 10.907 -7.474 487 HD2 PRO 62 2HD PRO 62 8.909 9.374 -6.953 488 HD3 PRO 62 1HD PRO 62 9.544 10.493 -5.734 489 H ASP 63 H ASP 63 6.805 10.701 -8.824 490 HA ASP 63 HA ASP 63 5.780 12.659 -10.737 491 HB2 ASP 63 2HB ASP 63 7.694 11.932 -11.913 492 HB3 ASP 63 1HB ASP 63 7.453 10.255 -11.447 493 H GLU 64 H GLU 64 3.815 12.019 -11.786 494 HA GLU 64 HA GLU 64 2.138 10.389 -10.178 495 HB2 GLU 64 2HB GLU 64 1.765 11.662 -12.861 496 HB3 GLU 64 1HB GLU 64 0.678 10.363 -12.400 497 HG2 GLU 64 2HG GLU 64 -0.485 12.101 -11.554 498 HG3 GLU 64 1HG GLU 64 0.530 11.739 -10.154 499 H ASP 65 H ASP 65 3.890 9.546 -13.192 500 HA ASP 65 HA ASP 65 2.786 7.061 -13.691 501 HB2 ASP 65 2HB ASP 65 4.662 8.241 -14.960 502 HB3 ASP 65 1HB ASP 65 5.757 7.585 -13.746 503 H SER 66 H SER 66 5.534 7.832 -11.605 504 HA SER 66 HA SER 66 5.808 5.302 -10.395 505 HG SER 66 HG SER 66 8.365 6.041 -10.099 506 HB2 SER 66 2HB SER 66 6.552 8.081 -9.475 507 HB3 SER 66 1HB SER 66 6.969 6.629 -8.564 508 H LEU 67 H LEU 67 4.385 8.284 -9.229 509 HA LEU 67 HA LEU 67 3.241 7.669 -6.877 510 HG LEU 67 HG LEU 67 1.006 9.380 -6.460 511 HB2 LEU 67 2HB LEU 67 3.091 9.864 -7.715 512 HB3 LEU 67 1HB LEU 67 2.292 9.346 -9.170 513 HD11 LEU 67 1HD1 LEU 67 1.450 11.459 -8.426 514 HD12 LEU 67 2HD1 LEU 67 0.962 11.577 -6.736 515 HD13 LEU 67 3HD1 LEU 67 -0.243 11.259 -7.983 516 HD21 LEU 67 3HD2 LEU 67 -1.063 9.403 -8.053 517 HD22 LEU 67 1HD2 LEU 67 -0.290 7.880 -7.620 518 HD23 LEU 67 2HD2 LEU 67 0.058 8.635 -9.177 519 H ALA 68 H ALA 68 1.446 7.289 -9.953 520 HA ALA 68 HA ALA 68 -0.680 5.867 -8.732 521 HB1 ALA 68 3HB ALA 68 0.193 6.278 -11.577 522 HB2 ALA 68 1HB ALA 68 -1.247 6.880 -10.754 523 HB3 ALA 68 2HB ALA 68 -1.128 5.174 -11.189 524 H HIS 69 H HIS 69 2.301 4.874 -10.342 525 HA HIS 69 HA HIS 69 1.831 2.150 -10.619 526 HD1 HIS 69 1HD HIS 69 6.411 2.081 -11.347 527 HD2 HIS 69 2HD HIS 69 2.977 0.020 -10.240 528 HE1 HIS 69 1HE HIS 69 7.000 -0.357 -11.537 529 HE2 HIS 69 2HE HIS 69 4.881 -1.584 -10.941 530 HB2 HIS 69 2HB HIS 69 3.839 3.374 -11.470 531 HB3 HIS 69 1HB HIS 69 4.458 3.417 -9.823 532 H MET 70 H MET 70 2.789 4.033 -7.833 533 HA MET 70 HA MET 70 3.180 1.737 -6.122 534 HB2 MET 70 2HB MET 70 2.817 4.546 -5.128 535 HB3 MET 70 1HB MET 70 3.830 3.279 -4.459 536 HG2 MET 70 2HG MET 70 4.594 4.091 -7.159 537 HG3 MET 70 1HG MET 70 4.693 5.380 -5.964 538 HE1 MET 70 3HE MET 70 5.994 2.010 -7.234 539 HE2 MET 70 1HE MET 70 7.668 2.140 -6.698 540 HE3 MET 70 2HE MET 70 6.985 3.372 -7.759 541 H GLN 71 H GLN 71 0.773 4.436 -6.068 542 HA GLN 71 HA GLN 71 -0.831 3.347 -4.095 543 HB2 GLN 71 2HB GLN 71 -2.740 4.637 -5.331 544 HB3 GLN 71 1HB GLN 71 -1.465 5.509 -4.506 545 HG2 GLN 71 2HG GLN 71 -0.889 6.522 -6.384 546 HG3 GLN 71 1HG GLN 71 -0.767 4.995 -7.249 547 HE21 GLN 71 1HE2 GLN 71 -2.683 7.764 -6.607 548 HE22 GLN 71 2HE2 GLN 71 -3.970 7.402 -7.701 549 H ASN 72 H ASN 72 -0.625 2.456 -7.454 550 HA ASN 72 HA ASN 72 -3.100 0.966 -7.403 551 HB2 ASN 72 2HB ASN 72 -1.789 2.084 -9.442 552 HB3 ASN 72 1HB ASN 72 -1.084 0.472 -9.532 553 HD21 ASN 72 1HD2 ASN 72 -2.117 -0.924 -10.748 554 HD22 ASN 72 2HD2 ASN 72 -3.791 -0.866 -11.171 555 H VAL 73 H VAL 73 0.373 0.199 -7.384 556 HA VAL 73 HA VAL 73 0.385 -2.516 -7.557 557 HB VAL 73 HB VAL 73 2.046 -0.624 -5.929 558 HG11 VAL 73 1HG1 VAL 73 3.535 -2.817 -5.672 559 HG12 VAL 73 2HG1 VAL 73 1.941 -3.568 -5.603 560 HG13 VAL 73 3HG1 VAL 73 2.373 -2.310 -4.444 561 HG21 VAL 73 3HG2 VAL 73 3.172 -2.535 -7.888 562 HG22 VAL 73 1HG2 VAL 73 3.575 -0.845 -7.588 563 HG23 VAL 73 2HG2 VAL 73 2.134 -1.255 -8.517 564 H VAL 74 H VAL 74 -0.415 -0.589 -4.709 565 HA VAL 74 HA VAL 74 -0.787 -2.807 -2.958 566 HB VAL 74 HB VAL 74 -1.870 0.002 -2.778 567 HG11 VAL 74 1HG1 VAL 74 -1.688 -2.030 -0.562 568 HG12 VAL 74 2HG1 VAL 74 -3.167 -1.657 -1.444 569 HG13 VAL 74 3HG1 VAL 74 -2.380 -0.412 -0.476 570 HG21 VAL 74 3HG2 VAL 74 0.237 0.551 -2.283 571 HG22 VAL 74 1HG2 VAL 74 0.735 -1.142 -2.257 572 HG23 VAL 74 2HG2 VAL 74 0.060 -0.398 -0.809 573 H ALA 75 H ALA 75 -3.046 -0.809 -4.881 574 HA ALA 75 HA ALA 75 -5.475 -1.791 -4.125 575 HB1 ALA 75 3HB ALA 75 -6.258 -1.339 -6.394 576 HB2 ALA 75 1HB ALA 75 -4.595 -1.284 -6.971 577 HB3 ALA 75 2HB ALA 75 -5.176 -0.057 -5.846 578 H ASP 76 H ASP 76 -2.981 -3.338 -5.974 579 HA ASP 76 HA ASP 76 -4.560 -5.549 -6.879 580 HB2 ASP 76 2HB ASP 76 -2.192 -4.591 -7.670 581 HB3 ASP 76 1HB ASP 76 -1.612 -5.839 -6.569 582 H HIS 77 H HIS 77 -2.343 -5.010 -4.177 583 HA HIS 77 HA HIS 77 -2.327 -7.629 -3.184 584 HD1 HIS 77 1HD HIS 77 -0.686 -6.547 -4.545 585 HD2 HIS 77 2HD HIS 77 0.919 -4.674 -1.201 586 HE1 HIS 77 1HE HIS 77 1.620 -5.817 -5.226 587 HE2 HIS 77 2HE HIS 77 2.603 -4.764 -3.159 588 HB2 HIS 77 2HB HIS 77 -2.037 -5.098 -1.559 589 HB3 HIS 77 1HB HIS 77 -1.439 -6.694 -1.143 590 H LEU 78 H LEU 78 -4.535 -4.911 -2.483 591 HA LEU 78 HA LEU 78 -5.964 -6.294 -0.461 592 HG LEU 78 HG LEU 78 -5.026 -3.195 -0.639 593 HB2 LEU 78 2HB LEU 78 -6.685 -3.922 -2.182 594 HB3 LEU 78 1HB LEU 78 -7.715 -4.534 -0.905 595 HD11 LEU 78 1HD1 LEU 78 -7.721 -2.608 0.579 596 HD12 LEU 78 2HD1 LEU 78 -7.023 -1.775 -0.811 597 HD13 LEU 78 3HD1 LEU 78 -6.249 -1.655 0.769 598 HD21 LEU 78 3HD2 LEU 78 -6.547 -4.793 1.414 599 HD22 LEU 78 1HD2 LEU 78 -5.296 -3.620 1.818 600 HD23 LEU 78 2HD2 LEU 78 -4.892 -5.046 0.861 601 H GLN 79 H GLN 79 -6.157 -6.153 -3.944 602 HA GLN 79 HA GLN 79 -8.756 -7.275 -4.202 603 HB2 GLN 79 2HB GLN 79 -6.442 -7.262 -6.149 604 HB3 GLN 79 1HB GLN 79 -8.085 -7.736 -6.546 605 HG2 GLN 79 2HG GLN 79 -7.961 -5.118 -5.311 606 HG3 GLN 79 1HG GLN 79 -7.000 -5.219 -6.784 607 HE21 GLN 79 1HE2 GLN 79 -8.856 -3.548 -7.144 608 HE22 GLN 79 2HE2 GLN 79 -10.237 -4.176 -7.971 609 H ARG 80 H ARG 80 -5.515 -8.701 -4.551 610 HA ARG 80 HA ARG 80 -6.308 -11.317 -5.033 611 HE ARG 80 HE ARG 80 -1.129 -13.673 -3.193 612 HB2 ARG 80 2HB ARG 80 -4.068 -10.877 -5.458 613 HB3 ARG 80 1HB ARG 80 -3.831 -10.053 -3.924 614 HG2 ARG 80 2HG ARG 80 -3.606 -12.031 -2.750 615 HG3 ARG 80 1HG ARG 80 -4.401 -12.987 -4.002 616 HD2 ARG 80 2HD ARG 80 -2.479 -12.594 -5.488 617 HD3 ARG 80 1HD ARG 80 -1.684 -11.690 -4.200 618 HH11 ARG 80 1HH1 ARG 80 -3.546 -14.275 -5.637 619 HH12 ARG 80 2HH1 ARG 80 -3.405 -15.997 -5.529 620 HH21 ARG 80 1HH2 ARG 80 -0.942 -15.938 -3.050 621 HH22 ARG 80 2HH2 ARG 80 -1.927 -16.942 -4.061 622 H MET 81 H MET 81 -5.990 -9.579 -1.992 623 HA MET 81 HA MET 81 -6.325 -11.978 -0.421 624 HB2 MET 81 2HB MET 81 -6.316 -10.473 1.518 625 HB3 MET 81 1HB MET 81 -4.946 -10.211 0.457 626 HG2 MET 81 2HG MET 81 -5.650 -8.084 1.122 627 HG3 MET 81 1HG MET 81 -6.222 -8.275 -0.531 628 HE1 MET 81 3HE MET 81 -8.263 -6.001 1.815 629 HE2 MET 81 1HE MET 81 -6.642 -6.626 2.118 630 HE3 MET 81 2HE MET 81 -7.987 -7.130 3.141 631 H ALA 82 H ALA 82 -8.432 -9.860 -2.011 632 HA ALA 82 HA ALA 82 -10.689 -10.902 -0.417 633 HB1 ALA 82 3HB ALA 82 -10.791 -8.702 0.222 634 HB2 ALA 82 1HB ALA 82 -11.804 -8.661 -1.221 635 HB3 ALA 82 2HB ALA 82 -10.130 -8.112 -1.303 636 H ASN 83 H ASN 83 -11.022 -12.580 -1.898 637 HA ASN 83 HA ASN 83 -11.437 -12.003 -4.694 638 HB2 ASN 83 2HB ASN 83 -11.197 -14.400 -3.015 639 HB3 ASN 83 1HB ASN 83 -12.364 -14.560 -4.323 640 HD21 ASN 83 1HD2 ASN 83 -9.030 -14.123 -3.490 641 HD22 ASN 83 2HD2 ASN 83 -8.384 -14.425 -5.063 642 H SER 84 H SER 84 -13.210 -10.781 -5.061 643 HA SER 84 HA SER 84 -15.749 -11.927 -5.083 644 HG SER 84 HG SER 84 -14.238 -10.220 -2.299 645 HB2 SER 84 2HB SER 84 -16.864 -10.501 -3.325 646 HB3 SER 84 1HB SER 84 -15.812 -11.763 -2.685 647 H GLU 85 H GLU 85 -14.645 -8.661 -4.178 648 HA GLU 85 HA GLU 85 -15.813 -7.669 -6.697 649 HB2 GLU 85 2HB GLU 85 -16.377 -5.609 -5.576 650 HB3 GLU 85 1HB GLU 85 -17.039 -6.951 -4.651 651 HG2 GLU 85 2HG GLU 85 -15.101 -6.796 -3.120 652 HG3 GLU 85 1HG GLU 85 -14.551 -5.379 -4.013 653 H SER 86 H SER 86 -14.746 -5.845 -7.688 654 HA SER 86 HA SER 86 -11.905 -6.075 -7.612 655 HG SER 86 HG SER 86 -12.937 -5.463 -10.810 656 HB2 SER 86 2HB SER 86 -13.884 -4.459 -9.146 657 HB3 SER 86 1HB SER 86 -12.227 -3.861 -9.080 658 H LEU 87 H LEU 87 -11.839 -5.646 -5.254 659 HA LEU 87 HA LEU 87 -11.817 -4.239 -3.395 660 HG LEU 87 HG LEU 87 -8.264 -4.308 -3.216 661 HB2 LEU 87 2HB LEU 87 -9.529 -4.093 -5.101 662 HB3 LEU 87 1HB LEU 87 -9.777 -2.525 -4.359 663 HD11 LEU 87 1HD1 LEU 87 -9.275 -3.387 -0.953 664 HD12 LEU 87 2HD1 LEU 87 -10.186 -2.359 -2.058 665 HD13 LEU 87 3HD1 LEU 87 -8.422 -2.332 -2.080 666 HD21 LEU 87 3HD2 LEU 87 -10.949 -5.092 -2.090 667 HD22 LEU 87 1HD2 LEU 87 -9.371 -5.672 -1.567 668 HD23 LEU 87 2HD2 LEU 87 -9.972 -6.091 -3.169 669 H GLU 88 H GLU 88 -13.381 -2.846 -2.892 670 HA GLU 88 HA GLU 88 -13.960 -0.546 -4.515 671 HB2 GLU 88 2HB GLU 88 -15.676 -1.662 -3.086 672 HB3 GLU 88 1HB GLU 88 -14.780 -1.151 -1.660 673 HG2 GLU 88 2HG GLU 88 -15.553 0.953 -1.765 674 HG3 GLU 88 1HG GLU 88 -15.486 1.002 -3.527 675 H ILE 89 H ILE 89 -12.175 0.764 -4.680 676 HA ILE 89 HA ILE 89 -11.156 1.850 -2.150 677 HB ILE 89 HB ILE 89 -8.916 1.783 -2.842 678 HG12 ILE 89 2HG1 ILE 89 -9.865 1.118 -5.638 679 HG13 ILE 89 1HG1 ILE 89 -9.221 2.670 -5.112 680 HG21 ILE 89 1HG2 ILE 89 -8.523 -0.560 -3.638 681 HG22 ILE 89 2HG2 ILE 89 -10.276 -0.723 -3.773 682 HG23 ILE 89 3HG2 ILE 89 -9.539 -0.403 -2.205 683 HD11 ILE 89 3HD1 ILE 89 -7.586 0.210 -4.782 684 HD12 ILE 89 1HD1 ILE 89 -7.074 1.887 -4.982 685 HD13 ILE 89 2HD1 ILE 89 -7.710 0.989 -6.362 686 H ALA 90 H ALA 90 -11.193 4.068 -2.010 687 HA ALA 90 HA ALA 90 -11.767 5.523 -4.495 688 HB1 ALA 90 3HB ALA 90 -13.193 5.862 -2.392 689 HB2 ALA 90 1HB ALA 90 -12.586 7.310 -3.195 690 HB3 ALA 90 2HB ALA 90 -11.801 6.724 -1.731 691 H TRP 91 H TRP 91 -10.001 6.148 -5.524 692 HA TRP 91 HA TRP 91 -7.588 6.745 -4.006 693 HD1 TRP 91 HD TRP 91 -10.019 7.208 -6.988 694 HE1 TRP 91 1HE TRP 91 -10.184 7.574 -9.527 695 HE3 TRP 91 3HE TRP 91 -5.270 5.857 -8.317 696 HZ2 TRP 91 2HZ TRP 91 -8.526 7.323 -11.795 697 HZ3 TRP 91 3HZ TRP 91 -4.641 5.948 -10.694 698 HH2 TRP 91 HH TRP 91 -6.237 6.665 -12.396 699 HB2 TRP 91 2HB TRP 91 -6.384 6.558 -6.070 700 HB3 TRP 91 1HB TRP 91 -7.493 5.197 -5.957 701 H GLN 92 H GLN 92 -6.746 8.684 -3.740 702 HA GLN 92 HA GLN 92 -8.201 10.978 -4.791 703 HB2 GLN 92 2HB GLN 92 -5.982 10.732 -2.754 704 HB3 GLN 92 1HB GLN 92 -6.643 12.273 -3.282 705 HG2 GLN 92 2HG GLN 92 -8.912 11.308 -2.566 706 HG3 GLN 92 1HG GLN 92 -7.959 10.111 -1.690 707 HE21 GLN 92 1HE2 GLN 92 -5.825 11.752 -0.927 708 HE22 GLN 92 2HE2 GLN 92 -6.401 12.890 0.238 709 HA PRO 93 HA PRO 93 -5.616 12.076 -8.173 710 HB2 PRO 93 2HB PRO 93 -5.260 14.677 -6.765 711 HB3 PRO 93 1HB PRO 93 -5.703 14.366 -8.448 712 HG2 PRO 93 2HG PRO 93 -7.550 15.098 -6.670 713 HG3 PRO 93 1HG PRO 93 -7.911 13.892 -7.919 714 HD2 PRO 93 2HD PRO 93 -7.450 13.523 -5.007 715 HD3 PRO 93 1HD PRO 93 -8.452 12.575 -6.124 716 H ALA 94 H ALA 94 -4.465 13.064 -4.966 717 HA ALA 94 HA ALA 94 -2.426 12.475 -3.995 718 HB1 ALA 94 3HB ALA 94 -0.738 11.382 -5.085 719 HB2 ALA 94 1HB ALA 94 -0.970 12.298 -6.572 720 HB3 ALA 94 2HB ALA 94 -2.074 10.988 -6.169 721 H GLU 95 H GLU 95 -2.482 14.466 -6.914 722 HA GLU 95 HA GLU 95 -1.033 16.551 -5.429 723 HB2 GLU 95 2HB GLU 95 0.212 15.218 -7.363 724 HB3 GLU 95 1HB GLU 95 -0.667 16.349 -8.383 725 HG2 GLU 95 2HG GLU 95 0.323 18.123 -6.726 726 HG3 GLU 95 1HG GLU 95 1.511 16.857 -6.425 727 H SER 96 H SER 96 -1.472 18.734 -6.142 728 HA SER 96 HA SER 96 -4.203 18.992 -7.171 729 HG SER 96 HG SER 96 -5.041 21.209 -6.753 730 HB2 SER 96 2HB SER 96 -3.194 20.066 -4.942 731 HB3 SER 96 1HB SER 96 -2.741 21.341 -6.073 Start of MODEL 14 1 HA MET 1 HA MET 1 6.985 13.294 -5.149 2 HB2 MET 1 2HB MET 1 7.614 13.560 -2.828 3 HB3 MET 1 1HB MET 1 8.921 14.102 -3.876 4 HG2 MET 1 2HG MET 1 7.106 16.248 -3.127 5 HG3 MET 1 1HG MET 1 7.866 15.473 -1.741 6 HE1 MET 1 3HE MET 1 11.236 15.074 -3.563 7 HE2 MET 1 1HE MET 1 10.224 14.516 -2.230 8 HE3 MET 1 2HE MET 1 11.394 15.810 -1.968 9 H PHE 2 H PHE 2 4.892 13.350 -5.708 10 HA PHE 2 HA PHE 2 3.055 15.110 -4.255 11 HD1 PHE 2 2HD PHE 2 3.517 16.499 -6.712 12 HD2 PHE 2 1HD PHE 2 3.016 12.511 -8.121 13 HE1 PHE 2 2HE PHE 2 4.807 17.053 -8.732 14 HE2 PHE 2 1HE PHE 2 4.292 13.067 -10.145 15 HZ PHE 2 HZ PHE 2 5.197 15.336 -10.453 16 HB2 PHE 2 2HB PHE 2 1.956 13.155 -6.189 17 HB3 PHE 2 1HB PHE 2 1.577 14.859 -5.982 18 H ARG 3 H ARG 3 0.913 13.916 -3.522 19 HA ARG 3 HA ARG 3 1.476 11.194 -2.696 20 HE ARG 3 HE ARG 3 3.587 10.998 1.808 21 HB2 ARG 3 2HB ARG 3 2.008 13.296 -0.903 22 HB3 ARG 3 1HB ARG 3 0.513 12.550 -0.346 23 HG2 ARG 3 2HG ARG 3 1.816 11.068 0.666 24 HG3 ARG 3 1HG ARG 3 2.086 10.387 -0.923 25 HD2 ARG 3 2HD ARG 3 4.235 10.948 -0.855 26 HD3 ARG 3 1HD ARG 3 3.830 12.627 -0.511 27 HH11 ARG 3 1HH1 ARG 3 5.920 12.611 -0.226 28 HH12 ARG 3 2HH1 ARG 3 7.092 12.781 1.039 29 HH21 ARG 3 1HH2 ARG 3 5.127 11.220 3.472 30 HH22 ARG 3 2HH2 ARG 3 6.642 11.990 3.138 31 H SER 4 H SER 4 -0.240 9.980 -2.861 32 HA SER 4 HA SER 4 -2.931 11.165 -2.745 33 HG SER 4 HG SER 4 -4.131 8.623 -4.896 34 HB2 SER 4 2HB SER 4 -2.951 10.378 -4.915 35 HB3 SER 4 1HB SER 4 -1.672 9.201 -4.604 36 H THR 5 H THR 5 -4.621 9.557 -1.965 37 HA THR 5 HA THR 5 -3.496 7.433 -0.332 38 HB THR 5 HB THR 5 -4.505 8.139 1.731 39 HG1 THR 5 1HG THR 5 -6.215 9.313 1.579 40 HG21 THR 5 3HG2 THR 5 -3.363 10.743 0.850 41 HG22 THR 5 1HG2 THR 5 -2.314 9.327 0.935 42 HG23 THR 5 2HG2 THR 5 -3.171 9.877 2.372 43 H SER 6 H SER 6 -4.670 5.663 -0.330 44 HA SER 6 HA SER 6 -7.476 5.854 -1.226 45 HG SER 6 HG SER 6 -8.087 4.031 -2.747 46 HB2 SER 6 2HB SER 6 -5.895 4.581 -2.712 47 HB3 SER 6 1HB SER 6 -5.666 3.432 -1.394 48 H HIS 7 H HIS 7 -9.051 5.192 0.120 49 HA HIS 7 HA HIS 7 -8.249 3.755 2.574 50 HD1 HIS 7 1HD HIS 7 -9.767 6.878 5.070 51 HD2 HIS 7 2HD HIS 7 -10.164 2.792 4.429 52 HE1 HIS 7 1HE HIS 7 -10.055 5.864 7.353 53 HE2 HIS 7 2HE HIS 7 -10.384 3.401 6.931 54 HB2 HIS 7 2HB HIS 7 -9.195 6.173 2.695 55 HB3 HIS 7 1HB HIS 7 -10.746 5.412 2.373 56 H VAL 8 H VAL 8 -9.167 1.821 2.999 57 HA VAL 8 HA VAL 8 -11.675 1.096 1.661 58 HB VAL 8 HB VAL 8 -9.458 -0.922 1.759 59 HG11 VAL 8 1HG1 VAL 8 -10.681 -1.982 -0.011 60 HG12 VAL 8 2HG1 VAL 8 -11.762 -0.599 -0.157 61 HG13 VAL 8 3HG1 VAL 8 -11.802 -1.600 1.295 62 HG21 VAL 8 3HG2 VAL 8 -8.617 1.122 0.575 63 HG22 VAL 8 1HG2 VAL 8 -9.916 0.900 -0.597 64 HG23 VAL 8 2HG2 VAL 8 -8.672 -0.337 -0.413 65 H ARG 9 H ARG 9 -12.828 -0.661 2.694 66 HA ARG 9 HA ARG 9 -12.061 -0.934 5.516 67 HE ARG 9 HE ARG 9 -14.293 3.040 6.521 68 HB2 ARG 9 2HB ARG 9 -14.671 -0.987 4.101 69 HB3 ARG 9 1HB ARG 9 -14.500 -2.057 5.483 70 HG2 ARG 9 2HG ARG 9 -15.442 -0.012 6.247 71 HG3 ARG 9 1HG ARG 9 -13.780 -0.100 6.835 72 HD2 ARG 9 2HD ARG 9 -13.035 1.527 5.363 73 HD3 ARG 9 1HD ARG 9 -14.391 1.291 4.260 74 HH11 ARG 9 1HH1 ARG 9 -16.419 1.123 4.525 75 HH12 ARG 9 2HH1 ARG 9 -17.818 2.081 4.877 76 HH21 ARG 9 1HH2 ARG 9 -16.132 4.301 6.985 77 HH22 ARG 9 2HH2 ARG 9 -17.655 3.885 6.274 78 H THR 10 H THR 10 -10.759 -2.633 5.818 79 HA THR 10 HA THR 10 -11.591 -5.231 4.707 80 HB THR 10 HB THR 10 -9.325 -3.817 3.941 81 HG1 THR 10 1HG THR 10 -9.925 -5.307 2.559 82 HG21 THR 10 3HG2 THR 10 -7.436 -4.784 4.759 83 HG22 THR 10 1HG2 THR 10 -8.283 -6.227 5.316 84 HG23 THR 10 2HG2 THR 10 -8.430 -4.716 6.222 85 H GLU 11 H GLU 11 -10.851 -7.120 5.920 86 HA GLU 11 HA GLU 11 -10.564 -6.506 8.783 87 HB2 GLU 11 2HB GLU 11 -12.229 -8.310 7.353 88 HB3 GLU 11 1HB GLU 11 -11.135 -9.265 8.345 89 HG2 GLU 11 2HG GLU 11 -12.249 -8.764 10.188 90 HG3 GLU 11 1HG GLU 11 -12.177 -7.039 9.829 91 H SER 12 H SER 12 -8.980 -7.512 10.060 92 HA SER 12 HA SER 12 -6.938 -8.356 10.552 93 HG SER 12 HG SER 12 -5.535 -10.451 10.076 94 HB2 SER 12 2HB SER 12 -7.839 -10.492 10.116 95 HB3 SER 12 1HB SER 12 -7.797 -10.248 8.370 96 H ALA 13 H ALA 13 -7.201 -6.235 8.573 97 HA ALA 13 HA ALA 13 -5.485 -6.344 6.407 98 HB1 ALA 13 3HB ALA 13 -5.639 -3.982 8.210 99 HB2 ALA 13 1HB ALA 13 -6.958 -4.424 7.139 100 HB3 ALA 13 2HB ALA 13 -5.384 -3.997 6.473 101 H ALA 14 H ALA 14 -4.583 -5.264 9.660 102 HA ALA 14 HA ALA 14 -1.999 -4.562 9.347 103 HB1 ALA 14 3HB ALA 14 -3.069 -6.180 11.644 104 HB2 ALA 14 1HB ALA 14 -3.180 -4.431 11.445 105 HB3 ALA 14 2HB ALA 14 -1.605 -5.196 11.661 106 H ARG 15 H ARG 15 -3.067 -7.914 9.117 107 HA ARG 15 HA ARG 15 -0.372 -8.919 9.365 108 HE ARG 15 HE ARG 15 -1.676 -13.717 7.992 109 HB2 ARG 15 2HB ARG 15 -2.512 -10.163 10.020 110 HB3 ARG 15 1HB ARG 15 -2.734 -10.461 8.302 111 HG2 ARG 15 2HG ARG 15 -0.225 -11.204 9.766 112 HG3 ARG 15 1HG ARG 15 -1.612 -12.284 9.637 113 HD2 ARG 15 2HD ARG 15 -0.721 -11.118 7.101 114 HD3 ARG 15 1HD ARG 15 0.456 -12.174 7.865 115 HH11 ARG 15 1HH1 ARG 15 -0.579 -11.731 5.334 116 HH12 ARG 15 2HH1 ARG 15 -1.292 -12.743 4.125 117 HH21 ARG 15 1HH2 ARG 15 -2.607 -15.045 6.398 118 HH22 ARG 15 2HH2 ARG 15 -2.441 -14.623 4.727 119 H TYR 16 H TYR 16 -2.654 -8.300 6.748 120 HA TYR 16 HA TYR 16 -1.055 -9.415 4.692 121 HD1 TYR 16 1HD TYR 16 -2.671 -10.806 4.939 122 HD2 TYR 16 2HD TYR 16 -5.308 -7.714 3.647 123 HE1 TYR 16 1HE TYR 16 -4.561 -12.337 5.137 124 HE2 TYR 16 2HE TYR 16 -7.205 -9.253 3.856 125 HH TYR 16 HH TYR 16 -7.660 -11.619 3.882 126 HB2 TYR 16 2HB TYR 16 -3.057 -7.160 4.465 127 HB3 TYR 16 1HB TYR 16 -2.397 -8.084 3.126 128 H VAL 17 H VAL 17 -0.803 -6.503 6.519 129 HA VAL 17 HA VAL 17 0.977 -5.214 4.633 130 HB VAL 17 HB VAL 17 -0.081 -4.469 7.329 131 HG11 VAL 17 1HG1 VAL 17 1.649 -2.435 6.926 132 HG12 VAL 17 2HG1 VAL 17 2.633 -3.786 6.388 133 HG13 VAL 17 3HG1 VAL 17 1.962 -3.776 8.020 134 HG21 VAL 17 3HG2 VAL 17 -0.623 -2.420 6.256 135 HG22 VAL 17 1HG2 VAL 17 -1.109 -3.739 5.188 136 HG23 VAL 17 2HG2 VAL 17 0.368 -2.832 4.857 137 H ASN 18 H ASN 18 1.201 -7.037 7.646 138 HA ASN 18 HA ASN 18 4.006 -6.720 7.925 139 HB2 ASN 18 2HB ASN 18 2.230 -8.855 9.114 140 HB3 ASN 18 1HB ASN 18 3.839 -8.409 9.670 141 HD21 ASN 18 1HD2 ASN 18 1.286 -8.391 11.082 142 HD22 ASN 18 2HD2 ASN 18 1.065 -6.773 11.647 143 H ARG 19 H ARG 19 2.001 -9.101 6.267 144 HA ARG 19 HA ARG 19 4.154 -10.954 5.918 145 HE ARG 19 HE ARG 19 1.012 -15.357 5.554 146 HB2 ARG 19 2HB ARG 19 1.452 -11.154 5.740 147 HB3 ARG 19 1HB ARG 19 1.893 -11.098 4.037 148 HG2 ARG 19 2HG ARG 19 2.397 -13.246 4.124 149 HG3 ARG 19 1HG ARG 19 3.684 -12.876 5.271 150 HD2 ARG 19 2HD ARG 19 2.351 -13.351 7.115 151 HD3 ARG 19 1HD ARG 19 0.857 -13.164 6.201 152 HH11 ARG 19 1HH1 ARG 19 4.075 -14.342 6.884 153 HH12 ARG 19 2HH1 ARG 19 4.744 -15.939 6.889 154 HH21 ARG 19 1HH2 ARG 19 1.891 -17.458 5.560 155 HH22 ARG 19 2HH2 ARG 19 3.505 -17.708 6.137 156 H LEU 20 H LEU 20 3.207 -8.093 4.295 157 HA LEU 20 HA LEU 20 4.154 -8.738 1.699 158 HG LEU 20 HG LEU 20 1.679 -6.879 2.895 159 HB2 LEU 20 2HB LEU 20 3.861 -6.049 3.022 160 HB3 LEU 20 1HB LEU 20 4.162 -6.297 1.315 161 HD11 LEU 20 1HD1 LEU 20 0.655 -5.347 1.458 162 HD12 LEU 20 2HD1 LEU 20 1.911 -5.518 0.232 163 HD13 LEU 20 3HD1 LEU 20 2.251 -4.645 1.724 164 HD21 LEU 20 3HD2 LEU 20 2.452 -8.016 0.207 165 HD22 LEU 20 1HD2 LEU 20 0.776 -7.839 0.721 166 HD23 LEU 20 2HD2 LEU 20 1.869 -8.877 1.633 167 H CYS 21 H CYS 21 5.696 -6.980 4.400 168 HA CYS 21 HA CYS 21 8.063 -6.355 3.072 169 HG CYS 21 HG CYS 21 6.339 -4.776 5.220 170 HB2 CYS 21 2HB CYS 21 7.647 -6.934 6.017 171 HB3 CYS 21 1HB CYS 21 9.098 -6.211 5.337 172 H LYS 22 H LYS 22 7.029 -9.322 4.585 173 HA LYS 22 HA LYS 22 9.622 -10.572 4.278 174 HB2 LYS 22 2HB LYS 22 6.961 -11.783 5.042 175 HB3 LYS 22 1HB LYS 22 8.532 -12.562 5.180 176 HG2 LYS 22 2HG LYS 22 8.975 -11.567 7.127 177 HG3 LYS 22 1HG LYS 22 8.419 -9.994 6.555 178 HD2 LYS 22 2HD LYS 22 6.995 -10.622 8.350 179 HD3 LYS 22 1HD LYS 22 6.067 -10.830 6.864 180 HE2 LYS 22 2HE LYS 22 5.611 -12.758 8.102 181 HE3 LYS 22 1HE LYS 22 6.838 -13.268 6.942 182 HZ1 LYS 22 3HZ LYS 22 7.040 -12.937 9.841 183 HZ2 LYS 22 1HZ LYS 22 8.414 -12.582 8.917 184 HZ3 LYS 22 2HZ LYS 22 7.716 -14.120 8.838 185 H HIS 23 H HIS 23 6.777 -10.109 2.423 186 HA HIS 23 HA HIS 23 7.162 -12.400 0.717 187 HD1 HIS 23 1HD HIS 23 3.145 -12.668 0.115 188 HD2 HIS 23 2HD HIS 23 6.393 -11.762 -2.313 189 HE1 HIS 23 1HE HIS 23 2.713 -13.860 -2.058 190 HE2 HIS 23 2HE HIS 23 4.733 -13.368 -3.480 191 HB2 HIS 23 2HB HIS 23 4.908 -11.409 1.335 192 HB3 HIS 23 1HB HIS 23 5.293 -10.087 0.238 193 H TRP 24 H TRP 24 7.034 -8.861 0.057 194 HA TRP 24 HA TRP 24 8.471 -9.334 -2.427 195 HD1 TRP 24 HD TRP 24 4.851 -7.644 -1.054 196 HE1 TRP 24 1HE TRP 24 3.118 -8.344 -2.823 197 HE3 TRP 24 3HE TRP 24 7.952 -8.102 -5.092 198 HZ2 TRP 24 2HZ TRP 24 3.072 -9.004 -5.568 199 HZ3 TRP 24 3HZ TRP 24 6.984 -8.772 -7.252 200 HH2 TRP 24 HH TRP 24 4.594 -9.214 -7.483 201 HB2 TRP 24 2HB TRP 24 7.340 -6.817 -1.198 202 HB3 TRP 24 1HB TRP 24 8.140 -6.885 -2.765 203 H GLY 25 H GLY 25 9.327 -8.639 0.802 204 HA2 GLY 25 2HA GLY 25 11.553 -6.930 0.343 205 HA3 GLY 25 1HA GLY 25 11.274 -7.905 1.774 206 H HIS 26 H HIS 26 12.158 -8.373 -1.644 207 HA HIS 26 HA HIS 26 14.040 -10.450 -0.756 208 HD1 HIS 26 1HD HIS 26 13.573 -11.460 -5.342 209 HD2 HIS 26 2HD HIS 26 12.167 -7.991 -3.537 210 HE1 HIS 26 1HE HIS 26 13.088 -9.869 -7.228 211 HE2 HIS 26 2HE HIS 26 12.160 -7.808 -6.115 212 HB2 HIS 26 2HB HIS 26 13.798 -11.522 -2.852 213 HB3 HIS 26 1HB HIS 26 12.168 -11.075 -2.366 214 H LYS 27 H LYS 27 13.722 -7.415 -2.417 215 HA LYS 27 HA LYS 27 16.626 -7.162 -2.465 216 HB2 LYS 27 2HB LYS 27 16.258 -8.198 -4.611 217 HB3 LYS 27 1HB LYS 27 14.941 -7.099 -4.979 218 HG2 LYS 27 2HG LYS 27 17.491 -5.751 -4.463 219 HG3 LYS 27 1HG LYS 27 17.514 -6.842 -5.849 220 HD2 LYS 27 2HD LYS 27 15.232 -4.947 -5.539 221 HD3 LYS 27 1HD LYS 27 16.781 -4.331 -6.114 222 HE2 LYS 27 2HE LYS 27 16.220 -6.728 -7.526 223 HE3 LYS 27 1HE LYS 27 14.768 -5.727 -7.561 224 HZ1 LYS 27 3HZ LYS 27 16.767 -5.461 -9.282 225 HZ2 LYS 27 1HZ LYS 27 17.276 -4.361 -8.101 226 HZ3 LYS 27 2HZ LYS 27 15.763 -4.176 -8.832 227 H PHE 28 H PHE 28 14.090 -5.887 -1.297 228 HA PHE 28 HA PHE 28 14.926 -3.146 -1.861 229 HD1 PHE 28 2HD PHE 28 13.833 -1.311 -3.622 230 HD2 PHE 28 1HD PHE 28 12.281 -5.237 -4.153 231 HE1 PHE 28 2HE PHE 28 14.164 -1.110 -6.053 232 HE2 PHE 28 1HE PHE 28 12.610 -5.045 -6.582 233 HZ PHE 28 HZ PHE 28 13.553 -2.979 -7.535 234 HB2 PHE 28 2HB PHE 28 12.100 -4.171 -2.058 235 HB3 PHE 28 1HB PHE 28 12.482 -2.461 -1.869 236 H GLU 29 H GLU 29 14.054 -1.573 -0.275 237 HA GLU 29 HA GLU 29 14.409 -2.668 2.369 238 HB2 GLU 29 2HB GLU 29 14.207 -0.285 3.105 239 HB3 GLU 29 1HB GLU 29 15.482 -0.579 1.934 240 HG2 GLU 29 2HG GLU 29 14.268 0.442 0.199 241 HG3 GLU 29 1HG GLU 29 12.774 0.428 1.132 242 H VAL 30 H VAL 30 12.756 -3.708 3.252 243 HA VAL 30 HA VAL 30 10.102 -2.447 3.114 244 HB VAL 30 HB VAL 30 9.499 -4.978 3.857 245 HG11 VAL 30 1HG1 VAL 30 9.066 -5.375 1.361 246 HG12 VAL 30 2HG1 VAL 30 9.674 -3.736 1.141 247 HG13 VAL 30 3HG1 VAL 30 8.256 -4.025 2.152 248 HG21 VAL 30 3HG2 VAL 30 11.645 -5.401 1.804 249 HG22 VAL 30 1HG2 VAL 30 10.757 -6.602 2.745 250 HG23 VAL 30 2HG2 VAL 30 11.950 -5.569 3.535 251 H GLU 31 H GLU 31 9.639 -1.454 4.973 252 HA GLU 31 HA GLU 31 10.749 -2.469 7.472 253 HB2 GLU 31 2HB GLU 31 10.342 0.091 6.502 254 HB3 GLU 31 1HB GLU 31 9.031 -0.112 7.655 255 HG2 GLU 31 2HG GLU 31 10.705 -0.785 9.358 256 HG3 GLU 31 1HG GLU 31 11.975 -0.410 8.193 257 H LEU 32 H LEU 32 9.583 -3.464 9.000 258 HA LEU 32 HA LEU 32 6.668 -3.676 8.561 259 HG LEU 32 HG LEU 32 5.814 -6.322 8.469 260 HB2 LEU 32 2HB LEU 32 8.088 -5.776 8.261 261 HB3 LEU 32 1HB LEU 32 8.337 -5.746 9.997 262 HD11 LEU 32 1HD1 LEU 32 7.757 -7.865 9.760 263 HD12 LEU 32 2HD1 LEU 32 6.194 -8.403 9.147 264 HD13 LEU 32 3HD1 LEU 32 6.352 -7.886 10.825 265 HD21 LEU 32 3HD2 LEU 32 4.677 -6.329 10.733 266 HD22 LEU 32 1HD2 LEU 32 5.013 -4.741 10.047 267 HD23 LEU 32 2HD2 LEU 32 6.042 -5.385 11.325 268 H THR 33 H THR 33 5.669 -2.392 9.929 269 HA THR 33 HA THR 33 6.418 -2.552 12.796 270 HB THR 33 HB THR 33 5.332 -0.094 12.686 271 HG1 THR 33 1HG THR 33 5.591 0.875 10.820 272 HG21 THR 33 3HG2 THR 33 8.212 -0.551 11.954 273 HG22 THR 33 1HG2 THR 33 7.564 -0.646 13.592 274 HG23 THR 33 2HG2 THR 33 7.515 0.882 12.711 275 HA PRO 34 HA PRO 34 2.126 -3.390 13.347 276 HB2 PRO 34 2HB PRO 34 1.529 -2.255 15.709 277 HB3 PRO 34 1HB PRO 34 2.603 -3.645 15.569 278 HG2 PRO 34 2HG PRO 34 3.280 -0.767 15.959 279 HG3 PRO 34 1HG PRO 34 4.028 -2.201 16.680 280 HD2 PRO 34 2HD PRO 34 5.057 -0.813 14.528 281 HD3 PRO 34 1HD PRO 34 5.422 -2.509 14.898 282 H GLU 35 H GLU 35 2.405 -1.375 11.551 283 HA GLU 35 HA GLU 35 -0.040 0.078 11.909 284 HB2 GLU 35 2HB GLU 35 2.577 1.588 11.738 285 HB3 GLU 35 1HB GLU 35 0.984 2.317 11.577 286 HG2 GLU 35 2HG GLU 35 0.490 1.401 13.883 287 HG3 GLU 35 1HG GLU 35 2.213 1.048 14.000 288 H ARG 36 H ARG 36 2.890 -0.388 9.905 289 HA ARG 36 HA ARG 36 1.327 -0.814 7.591 290 HE ARG 36 HE ARG 36 2.094 3.072 10.122 291 HB2 ARG 36 2HB ARG 36 2.135 1.156 6.299 292 HB3 ARG 36 1HB ARG 36 1.029 1.573 7.598 293 HG2 ARG 36 2HG ARG 36 3.378 1.803 8.890 294 HG3 ARG 36 1HG ARG 36 3.877 2.221 7.250 295 HD2 ARG 36 2HD ARG 36 3.182 4.281 7.781 296 HD3 ARG 36 1HD ARG 36 1.567 3.637 7.503 297 HH11 ARG 36 1HH1 ARG 36 2.052 5.977 8.188 298 HH12 ARG 36 2HH1 ARG 36 1.598 7.000 9.510 299 HH21 ARG 36 1HH2 ARG 36 1.496 4.417 11.862 300 HH22 ARG 36 2HH2 ARG 36 1.282 6.115 11.596 301 H GLY 37 H GLY 37 2.653 -0.880 5.581 302 HA2 GLY 37 2HA GLY 37 5.307 -2.004 6.206 303 HA3 GLY 37 1HA GLY 37 4.314 -2.467 4.831 304 H PHE 38 H PHE 38 7.021 -0.704 5.586 305 HA PHE 38 HA PHE 38 6.551 1.382 3.574 306 HD1 PHE 38 2HD PHE 38 7.171 3.793 3.723 307 HD2 PHE 38 1HD PHE 38 10.786 1.930 4.999 308 HE1 PHE 38 2HE PHE 38 8.463 5.653 2.780 309 HE2 PHE 38 1HE PHE 38 12.078 3.793 4.056 310 HZ PHE 38 HZ PHE 38 10.920 5.654 2.936 311 HB2 PHE 38 2HB PHE 38 7.423 2.046 5.774 312 HB3 PHE 38 1HB PHE 38 8.789 0.962 5.575 313 H ILE 39 H ILE 39 7.062 0.864 1.564 314 HA ILE 39 HA ILE 39 9.475 -0.796 1.113 315 HB ILE 39 HB ILE 39 7.161 -0.818 -0.807 316 HG12 ILE 39 2HG1 ILE 39 7.484 -2.448 1.708 317 HG13 ILE 39 1HG1 ILE 39 6.033 -1.689 1.064 318 HG21 ILE 39 1HG2 ILE 39 8.835 -3.199 -0.489 319 HG22 ILE 39 2HG2 ILE 39 9.725 -1.760 -0.984 320 HG23 ILE 39 3HG2 ILE 39 8.364 -2.327 -1.947 321 HD11 ILE 39 3HD1 ILE 39 6.697 -3.556 -0.862 322 HD12 ILE 39 1HD1 ILE 39 5.448 -3.707 0.374 323 HD13 ILE 39 2HD1 ILE 39 7.058 -4.362 0.662 324 H ASP 40 H ASP 40 10.999 0.585 0.290 325 HA ASP 40 HA ASP 40 10.076 2.591 -1.651 326 HB2 ASP 40 2HB ASP 40 11.310 4.078 -0.536 327 HB3 ASP 40 1HB ASP 40 11.858 2.833 0.574 328 H PHE 41 H PHE 41 10.758 2.564 -3.669 329 HA PHE 41 HA PHE 41 12.555 0.386 -4.470 330 HD1 PHE 41 2HD PHE 41 8.854 0.286 -4.548 331 HD2 PHE 41 1HD PHE 41 11.910 -1.128 -7.150 332 HE1 PHE 41 2HE PHE 41 7.828 -1.949 -4.531 333 HE2 PHE 41 1HE PHE 41 10.885 -3.365 -7.143 334 HZ PHE 41 HZ PHE 41 8.844 -3.778 -5.830 335 HB2 PHE 41 2HB PHE 41 10.285 1.822 -5.767 336 HB3 PHE 41 1HB PHE 41 11.567 1.232 -6.815 337 H GLY 42 H GLY 42 13.106 3.296 -3.495 338 HA2 GLY 42 2HA GLY 42 15.309 4.232 -3.963 339 HA3 GLY 42 1HA GLY 42 14.991 3.960 -5.671 340 H ASP 43 H ASP 43 14.030 5.546 -6.832 341 HA ASP 43 HA ASP 43 13.495 8.064 -5.485 342 HB2 ASP 43 2HB ASP 43 13.331 7.358 -8.428 343 HB3 ASP 43 1HB ASP 43 13.248 8.981 -7.750 344 H SER 44 H SER 44 11.754 6.414 -4.493 345 HA SER 44 HA SER 44 9.247 7.437 -4.819 346 HG SER 44 HG SER 44 10.284 5.740 -7.896 347 HB2 SER 44 2HB SER 44 8.347 5.196 -6.085 348 HB3 SER 44 1HB SER 44 8.708 6.710 -6.921 349 H ASN 45 H ASN 45 7.578 6.113 -3.629 350 HA ASN 45 HA ASN 45 8.664 3.798 -2.231 351 HB2 ASN 45 2HB ASN 45 7.379 5.811 -0.461 352 HB3 ASN 45 1HB ASN 45 8.667 4.664 -0.109 353 HD21 ASN 45 1HD2 ASN 45 10.475 5.627 0.404 354 HD22 ASN 45 2HD2 ASN 45 11.084 7.095 -0.274 355 H CYS 46 H CYS 46 6.939 2.879 -0.689 356 HA CYS 46 HA CYS 46 4.214 3.468 -1.484 357 HG CYS 46 HG CYS 46 6.575 1.806 -3.570 358 HB2 CYS 46 2HB CYS 46 4.367 0.652 -1.707 359 HB3 CYS 46 1HB CYS 46 4.002 1.817 -2.974 360 H GLU 47 H GLU 47 3.498 3.811 0.544 361 HA GLU 47 HA GLU 47 4.159 1.882 2.645 362 HB2 GLU 47 2HB GLU 47 4.280 4.537 2.752 363 HB3 GLU 47 1HB GLU 47 2.581 4.372 3.160 364 HG2 GLU 47 2HG GLU 47 3.027 3.405 5.195 365 HG3 GLU 47 1HG GLU 47 4.595 2.778 4.682 366 H LEU 48 H LEU 48 2.461 0.985 3.982 367 HA LEU 48 HA LEU 48 -0.252 1.195 2.903 368 HG LEU 48 HG LEU 48 -0.935 -2.097 3.760 369 HB2 LEU 48 2HB LEU 48 0.716 -0.686 1.695 370 HB3 LEU 48 1HB LEU 48 1.228 -1.430 3.195 371 HD11 LEU 48 1HD1 LEU 48 -2.283 -0.226 3.573 372 HD12 LEU 48 2HD1 LEU 48 -2.918 -1.290 2.319 373 HD13 LEU 48 3HD1 LEU 48 -1.852 0.044 1.884 374 HD21 LEU 48 3HD2 LEU 48 -1.895 -2.922 1.450 375 HD22 LEU 48 1HD2 LEU 48 -0.425 -3.610 2.137 376 HD23 LEU 48 2HD2 LEU 48 -0.319 -2.390 0.870 377 H LEU 49 H LEU 49 -1.477 1.740 4.571 378 HA LEU 49 HA LEU 49 -0.729 0.909 7.279 379 HG LEU 49 HG LEU 49 -2.082 1.762 9.047 380 HB2 LEU 49 2HB LEU 49 -1.565 3.272 6.611 381 HB3 LEU 49 1HB LEU 49 -3.155 2.532 6.598 382 HD11 LEU 49 1HD1 LEU 49 -1.687 4.289 9.829 383 HD12 LEU 49 2HD1 LEU 49 -1.024 4.385 8.198 384 HD13 LEU 49 3HD1 LEU 49 -0.376 3.212 9.345 385 HD21 LEU 49 3HD2 LEU 49 -4.382 2.314 8.738 386 HD22 LEU 49 1HD2 LEU 49 -3.984 3.971 8.287 387 HD23 LEU 49 2HD2 LEU 49 -3.725 3.422 9.942 388 H ALA 50 H ALA 50 -1.730 -0.686 8.387 389 HA ALA 50 HA ALA 50 -4.292 -1.650 7.372 390 HB1 ALA 50 3HB ALA 50 -1.900 -3.432 7.723 391 HB2 ALA 50 1HB ALA 50 -2.597 -2.915 6.188 392 HB3 ALA 50 2HB ALA 50 -3.525 -3.938 7.273 393 H HIS 51 H HIS 51 -5.617 -1.616 9.003 394 HA HIS 51 HA HIS 51 -4.690 -2.522 11.613 395 HD1 HIS 51 1HD HIS 51 -7.590 0.086 13.771 396 HD2 HIS 51 2HD HIS 51 -3.716 -1.333 13.264 397 HE1 HIS 51 1HE HIS 51 -6.488 0.318 16.018 398 HE2 HIS 51 2HE HIS 51 -4.169 -0.615 15.705 399 HB2 HIS 51 2HB HIS 51 -5.860 -0.099 11.013 400 HB3 HIS 51 1HB HIS 51 -7.241 -1.050 11.538 401 HA PRO 52 HA PRO 52 -7.263 -6.069 11.788 402 HB2 PRO 52 2HB PRO 52 -8.937 -4.658 13.827 403 HB3 PRO 52 1HB PRO 52 -8.259 -6.292 13.856 404 HG2 PRO 52 2HG PRO 52 -7.095 -4.346 15.224 405 HG3 PRO 52 1HG PRO 52 -6.116 -5.536 14.350 406 HD2 PRO 52 2HD PRO 52 -6.703 -2.697 13.663 407 HD3 PRO 52 1HD PRO 52 -5.242 -3.649 13.354 408 H ASP 53 H ASP 53 -8.880 -2.998 11.227 409 HA ASP 53 HA ASP 53 -10.892 -4.486 9.714 410 HB2 ASP 53 2HB ASP 53 -12.718 -3.135 10.595 411 HB3 ASP 53 1HB ASP 53 -11.879 -3.949 11.913 412 H HIS 54 H HIS 54 -8.625 -2.048 9.590 413 HA HIS 54 HA HIS 54 -9.910 -1.097 7.166 414 HD1 HIS 54 1HD HIS 54 -7.204 2.003 8.744 415 HD2 HIS 54 2HD HIS 54 -9.886 0.304 11.423 416 HE1 HIS 54 1HE HIS 54 -6.292 2.523 11.027 417 HE2 HIS 54 2HE HIS 54 -8.012 1.617 12.628 418 HB2 HIS 54 2HB HIS 54 -9.425 1.281 7.677 419 HB3 HIS 54 1HB HIS 54 -10.639 0.566 8.721 420 H VAL 55 H VAL 55 -8.451 0.039 5.668 421 HA VAL 55 HA VAL 55 -5.614 -0.317 6.240 422 HB VAL 55 HB VAL 55 -6.760 -2.285 4.928 423 HG11 VAL 55 1HG1 VAL 55 -7.777 -0.845 3.210 424 HG12 VAL 55 2HG1 VAL 55 -6.698 -2.059 2.527 425 HG13 VAL 55 3HG1 VAL 55 -6.162 -0.385 2.671 426 HG21 VAL 55 3HG2 VAL 55 -4.368 -2.077 5.439 427 HG22 VAL 55 1HG2 VAL 55 -4.160 -1.107 3.982 428 HG23 VAL 55 2HG2 VAL 55 -4.662 -2.792 3.855 429 H LEU 56 H LEU 56 -4.338 1.212 5.350 430 HA LEU 56 HA LEU 56 -5.617 3.177 3.559 431 HG LEU 56 HG LEU 56 -6.357 4.785 5.498 432 HB2 LEU 56 2HB LEU 56 -4.329 3.550 6.114 433 HB3 LEU 56 1HB LEU 56 -3.422 4.399 4.884 434 HD11 LEU 56 1HD1 LEU 56 -4.161 6.764 5.981 435 HD12 LEU 56 2HD1 LEU 56 -4.610 5.565 7.195 436 HD13 LEU 56 3HD1 LEU 56 -5.799 6.739 6.632 437 HD21 LEU 56 3HD2 LEU 56 -5.757 6.948 4.105 438 HD22 LEU 56 1HD2 LEU 56 -6.272 5.463 3.308 439 HD23 LEU 56 2HD2 LEU 56 -4.558 5.876 3.386 440 H MET 57 H MET 57 -4.391 3.983 1.865 441 HA MET 57 HA MET 57 -1.802 2.664 1.434 442 HB2 MET 57 2HB MET 57 -3.707 3.232 -0.812 443 HB3 MET 57 1HB MET 57 -2.332 2.134 -0.786 444 HG2 MET 57 2HG MET 57 -3.509 0.670 0.773 445 HG3 MET 57 1HG MET 57 -4.887 1.773 0.761 446 HE1 MET 57 3HE MET 57 -6.786 0.273 -0.064 447 HE2 MET 57 1HE MET 57 -7.054 0.308 -1.808 448 HE3 MET 57 2HE MET 57 -6.729 1.806 -0.934 449 H ILE 58 H ILE 58 -0.236 4.170 1.431 450 HA ILE 58 HA ILE 58 -0.792 6.714 0.068 451 HB ILE 58 HB ILE 58 1.013 6.345 2.463 452 HG12 ILE 58 2HG1 ILE 58 -1.841 6.672 2.344 453 HG13 ILE 58 1HG1 ILE 58 -0.815 6.503 3.754 454 HG21 ILE 58 1HG2 ILE 58 0.099 8.845 1.057 455 HG22 ILE 58 2HG2 ILE 58 1.698 8.108 0.915 456 HG23 ILE 58 3HG2 ILE 58 1.164 8.766 2.461 457 HD11 ILE 58 3HD1 ILE 58 -0.632 8.793 4.054 458 HD12 ILE 58 1HD1 ILE 58 -2.309 8.577 3.553 459 HD13 ILE 58 2HD1 ILE 58 -1.108 9.152 2.394 460 H LEU 59 H LEU 59 0.731 7.404 -1.364 461 HA LEU 59 HA LEU 59 3.169 5.771 -1.586 462 HG LEU 59 HG LEU 59 1.423 6.931 -5.306 463 HB2 LEU 59 2HB LEU 59 3.040 5.730 -3.904 464 HB3 LEU 59 1HB LEU 59 1.384 5.473 -3.402 465 HD11 LEU 59 1HD1 LEU 59 0.830 8.512 -2.826 466 HD12 LEU 59 2HD1 LEU 59 -0.253 7.342 -3.578 467 HD13 LEU 59 3HD1 LEU 59 0.192 8.815 -4.440 468 HD21 LEU 59 3HD2 LEU 59 2.827 8.637 -5.660 469 HD22 LEU 59 1HD2 LEU 59 3.805 7.852 -4.425 470 HD23 LEU 59 2HD2 LEU 59 2.744 9.192 -3.996 471 H ASN 60 H ASN 60 5.084 6.786 -2.062 472 HA ASN 60 HA ASN 60 4.994 9.733 -2.130 473 HB2 ASN 60 2HB ASN 60 7.209 8.088 -0.887 474 HB3 ASN 60 1HB ASN 60 7.017 9.838 -0.827 475 HD21 ASN 60 1HD2 ASN 60 7.378 8.870 1.512 476 HD22 ASN 60 2HD2 ASN 60 5.920 8.693 2.422 477 H SER 61 H SER 61 5.317 10.137 -4.248 478 HA SER 61 HA SER 61 7.858 9.206 -5.380 479 HG SER 61 HG SER 61 5.887 7.056 -5.140 480 HB2 SER 61 2HB SER 61 5.694 8.859 -7.318 481 HB3 SER 61 1HB SER 61 7.049 7.802 -6.941 482 HA PRO 62 HA PRO 62 7.998 13.332 -6.998 483 HB2 PRO 62 2HB PRO 62 9.957 12.916 -8.826 484 HB3 PRO 62 1HB PRO 62 10.235 13.062 -7.088 485 HG2 PRO 62 2HG PRO 62 9.965 10.571 -8.741 486 HG3 PRO 62 1HG PRO 62 11.198 10.975 -7.526 487 HD2 PRO 62 2HD PRO 62 9.141 9.413 -6.908 488 HD3 PRO 62 1HD PRO 62 9.735 10.621 -5.754 489 H ASP 63 H ASP 63 7.046 10.613 -8.917 490 HA ASP 63 HA ASP 63 6.037 12.513 -10.918 491 HB2 ASP 63 2HB ASP 63 6.506 10.835 -12.698 492 HB3 ASP 63 1HB ASP 63 7.965 11.456 -11.932 493 H GLU 64 H GLU 64 4.020 11.934 -11.892 494 HA GLU 64 HA GLU 64 2.300 10.463 -10.162 495 HB2 GLU 64 2HB GLU 64 1.704 12.283 -12.010 496 HB3 GLU 64 1HB GLU 64 1.482 10.852 -13.015 497 HG2 GLU 64 2HG GLU 64 0.171 10.135 -10.773 498 HG3 GLU 64 1HG GLU 64 -0.110 11.872 -10.776 499 H ASP 65 H ASP 65 3.849 9.525 -13.277 500 HA ASP 65 HA ASP 65 2.666 7.064 -13.665 501 HB2 ASP 65 2HB ASP 65 4.427 8.144 -15.120 502 HB3 ASP 65 1HB ASP 65 5.627 7.614 -13.941 503 H SER 66 H SER 66 5.572 7.802 -11.773 504 HA SER 66 HA SER 66 5.895 5.274 -10.573 505 HG SER 66 HG SER 66 7.821 5.433 -9.014 506 HB2 SER 66 2HB SER 66 7.625 7.078 -10.547 507 HB3 SER 66 1HB SER 66 6.617 7.974 -9.406 508 H LEU 67 H LEU 67 4.520 8.245 -9.344 509 HA LEU 67 HA LEU 67 3.494 7.630 -6.936 510 HG LEU 67 HG LEU 67 1.168 9.264 -6.484 511 HB2 LEU 67 2HB LEU 67 3.267 9.827 -7.691 512 HB3 LEU 67 1HB LEU 67 2.494 9.347 -9.173 513 HD11 LEU 67 1HD1 LEU 67 -0.080 11.205 -7.901 514 HD12 LEU 67 2HD1 LEU 67 1.600 11.426 -8.381 515 HD13 LEU 67 3HD1 LEU 67 1.155 11.480 -6.675 516 HD21 LEU 67 3HD2 LEU 67 -0.106 7.816 -7.742 517 HD22 LEU 67 1HD2 LEU 67 0.273 8.645 -9.253 518 HD23 LEU 67 2HD2 LEU 67 -0.873 9.358 -8.120 519 H ALA 68 H ALA 68 1.559 7.244 -9.924 520 HA ALA 68 HA ALA 68 -0.512 5.824 -8.630 521 HB1 ALA 68 3HB ALA 68 -0.658 6.997 -10.862 522 HB2 ALA 68 1HB ALA 68 -1.383 5.389 -10.804 523 HB3 ALA 68 2HB ALA 68 0.194 5.619 -11.559 524 H HIS 69 H HIS 69 2.491 4.843 -10.168 525 HA HIS 69 HA HIS 69 2.065 2.109 -10.438 526 HD1 HIS 69 1HD HIS 69 3.660 0.211 -9.455 527 HD2 HIS 69 2HD HIS 69 5.966 1.969 -12.431 528 HE1 HIS 69 1HE HIS 69 4.845 -1.689 -10.597 529 HE2 HIS 69 2HE HIS 69 6.299 -0.594 -12.338 530 HB2 HIS 69 2HB HIS 69 4.105 3.548 -11.130 531 HB3 HIS 69 1HB HIS 69 4.702 3.217 -9.507 532 H MET 70 H MET 70 2.988 4.016 -7.642 533 HA MET 70 HA MET 70 3.283 1.690 -5.950 534 HB2 MET 70 2HB MET 70 3.000 4.052 -4.359 535 HB3 MET 70 1HB MET 70 4.424 3.061 -4.592 536 HG2 MET 70 2HG MET 70 3.677 5.190 -6.563 537 HG3 MET 70 1HG MET 70 4.565 5.556 -5.097 538 HE1 MET 70 3HE MET 70 4.984 2.406 -7.726 539 HE2 MET 70 1HE MET 70 5.289 2.092 -6.019 540 HE3 MET 70 2HE MET 70 6.627 2.113 -7.165 541 H GLN 71 H GLN 71 0.986 4.473 -5.892 542 HA GLN 71 HA GLN 71 -0.691 3.418 -3.959 543 HB2 GLN 71 2HB GLN 71 -2.507 4.845 -5.094 544 HB3 GLN 71 1HB GLN 71 -1.119 5.653 -4.397 545 HG2 GLN 71 2HG GLN 71 -0.803 6.663 -6.326 546 HG3 GLN 71 1HG GLN 71 -0.511 5.108 -7.092 547 HE21 GLN 71 1HE2 GLN 71 -3.068 7.341 -6.147 548 HE22 GLN 71 2HE2 GLN 71 -4.155 6.922 -7.423 549 H ASN 72 H ASN 72 -0.491 2.579 -7.340 550 HA ASN 72 HA ASN 72 -3.038 1.217 -7.331 551 HB2 ASN 72 2HB ASN 72 -1.807 2.322 -9.354 552 HB3 ASN 72 1HB ASN 72 -0.953 0.784 -9.437 553 HD21 ASN 72 1HD2 ASN 72 -4.024 2.380 -9.750 554 HD22 ASN 72 2HD2 ASN 72 -4.836 1.093 -10.569 555 H VAL 73 H VAL 73 0.388 0.268 -7.351 556 HA VAL 73 HA VAL 73 0.245 -2.439 -7.560 557 HB VAL 73 HB VAL 73 2.045 -0.658 -5.965 558 HG11 VAL 73 1HG1 VAL 73 3.449 -2.640 -5.405 559 HG12 VAL 73 2HG1 VAL 73 2.101 -3.670 -5.884 560 HG13 VAL 73 3HG1 VAL 73 1.924 -2.565 -4.521 561 HG21 VAL 73 3HG2 VAL 73 2.029 -1.364 -8.558 562 HG22 VAL 73 1HG2 VAL 73 3.062 -2.633 -7.902 563 HG23 VAL 73 2HG2 VAL 73 3.493 -0.939 -7.672 564 H VAL 74 H VAL 74 -0.437 -0.517 -4.673 565 HA VAL 74 HA VAL 74 -0.844 -2.758 -2.959 566 HB VAL 74 HB VAL 74 -1.822 0.082 -2.674 567 HG11 VAL 74 1HG1 VAL 74 -2.281 -0.389 -0.371 568 HG12 VAL 74 2HG1 VAL 74 -1.645 -2.025 -0.528 569 HG13 VAL 74 3HG1 VAL 74 -3.136 -1.576 -1.353 570 HG21 VAL 74 3HG2 VAL 74 0.306 0.551 -2.209 571 HG22 VAL 74 1HG2 VAL 74 0.756 -1.153 -2.281 572 HG23 VAL 74 2HG2 VAL 74 0.151 -0.462 -0.776 573 H ALA 75 H ALA 75 -3.088 -0.632 -4.766 574 HA ALA 75 HA ALA 75 -5.511 -1.598 -3.924 575 HB1 ALA 75 3HB ALA 75 -6.377 -1.038 -6.178 576 HB2 ALA 75 1HB ALA 75 -4.715 -0.816 -6.729 577 HB3 ALA 75 2HB ALA 75 -5.381 0.240 -5.482 578 H ASP 76 H ASP 76 -3.107 -3.149 -5.861 579 HA ASP 76 HA ASP 76 -4.821 -5.251 -6.826 580 HB2 ASP 76 2HB ASP 76 -2.685 -4.398 -7.946 581 HB3 ASP 76 1HB ASP 76 -1.808 -5.320 -6.728 582 H HIS 77 H HIS 77 -2.466 -4.860 -4.215 583 HA HIS 77 HA HIS 77 -2.397 -7.540 -3.381 584 HD1 HIS 77 1HD HIS 77 -0.800 -6.375 -4.748 585 HD2 HIS 77 2HD HIS 77 0.935 -4.685 -1.372 586 HE1 HIS 77 1HE HIS 77 1.471 -5.586 -5.483 587 HE2 HIS 77 2HE HIS 77 2.535 -4.645 -3.403 588 HB2 HIS 77 2HB HIS 77 -2.014 -5.119 -1.610 589 HB3 HIS 77 1HB HIS 77 -1.398 -6.740 -1.339 590 H LEU 78 H LEU 78 -4.539 -4.869 -2.375 591 HA LEU 78 HA LEU 78 -5.837 -6.224 -0.303 592 HG LEU 78 HG LEU 78 -5.125 -3.100 -0.701 593 HB2 LEU 78 2HB LEU 78 -6.773 -4.024 -2.142 594 HB3 LEU 78 1HB LEU 78 -7.729 -4.614 -0.797 595 HD11 LEU 78 1HD1 LEU 78 -6.387 -1.549 0.640 596 HD12 LEU 78 2HD1 LEU 78 -7.797 -2.610 0.601 597 HD13 LEU 78 3HD1 LEU 78 -7.233 -1.837 -0.882 598 HD21 LEU 78 3HD2 LEU 78 -5.338 -3.392 1.803 599 HD22 LEU 78 1HD2 LEU 78 -4.779 -4.802 0.904 600 HD23 LEU 78 2HD2 LEU 78 -6.450 -4.717 1.463 601 H GLN 79 H GLN 79 -6.118 -6.464 -3.746 602 HA GLN 79 HA GLN 79 -8.682 -7.723 -3.800 603 HB2 GLN 79 2HB GLN 79 -6.532 -7.954 -5.901 604 HB3 GLN 79 1HB GLN 79 -8.267 -8.122 -6.116 605 HG2 GLN 79 2HG GLN 79 -7.845 -5.563 -5.039 606 HG3 GLN 79 1HG GLN 79 -6.634 -5.786 -6.298 607 HE21 GLN 79 1HE2 GLN 79 -8.048 -3.942 -7.109 608 HE22 GLN 79 2HE2 GLN 79 -9.354 -4.386 -8.149 609 H ARG 80 H ARG 80 -5.394 -8.984 -4.345 610 HA ARG 80 HA ARG 80 -6.052 -11.670 -4.501 611 HE ARG 80 HE ARG 80 -2.859 -13.365 -5.710 612 HB2 ARG 80 2HB ARG 80 -3.908 -11.172 -5.201 613 HB3 ARG 80 1HB ARG 80 -3.581 -10.143 -3.816 614 HG2 ARG 80 2HG ARG 80 -3.160 -11.984 -2.416 615 HG3 ARG 80 1HG ARG 80 -3.862 -13.122 -3.568 616 HD2 ARG 80 2HD ARG 80 -1.499 -11.460 -4.341 617 HD3 ARG 80 1HD ARG 80 -1.275 -12.910 -3.364 618 HH11 ARG 80 1HH1 ARG 80 0.400 -13.145 -4.484 619 HH12 ARG 80 2HH1 ARG 80 1.071 -14.140 -5.732 620 HH21 ARG 80 1HH2 ARG 80 -1.980 -14.674 -7.353 621 HH22 ARG 80 2HH2 ARG 80 -0.281 -15.008 -7.361 622 H MET 81 H MET 81 -5.604 -9.639 -1.671 623 HA MET 81 HA MET 81 -5.542 -11.885 0.132 624 HB2 MET 81 2HB MET 81 -5.502 -10.219 1.914 625 HB3 MET 81 1HB MET 81 -4.304 -9.881 0.683 626 HG2 MET 81 2HG MET 81 -5.232 -7.813 1.308 627 HG3 MET 81 1HG MET 81 -5.887 -8.199 -0.279 628 HE1 MET 81 3HE MET 81 -7.679 -7.005 3.428 629 HE2 MET 81 1HE MET 81 -7.933 -5.995 2.005 630 HE3 MET 81 2HE MET 81 -6.306 -6.521 2.432 631 H ALA 82 H ALA 82 -8.012 -10.142 -1.414 632 HA ALA 82 HA ALA 82 -9.975 -11.066 0.596 633 HB1 ALA 82 3HB ALA 82 -10.117 -8.703 0.437 634 HB2 ALA 82 1HB ALA 82 -11.501 -9.350 -0.444 635 HB3 ALA 82 2HB ALA 82 -10.099 -8.749 -1.326 636 H ASN 83 H ASN 83 -9.864 -10.368 -2.909 637 HA ASN 83 HA ASN 83 -10.615 -11.534 -4.713 638 HB2 ASN 83 2HB ASN 83 -9.513 -13.455 -3.155 639 HB3 ASN 83 1HB ASN 83 -11.173 -14.036 -3.236 640 HD21 ASN 83 1HD2 ASN 83 -12.042 -14.622 -5.235 641 HD22 ASN 83 2HD2 ASN 83 -11.036 -14.968 -6.596 642 H SER 84 H SER 84 -12.521 -10.676 -5.258 643 HA SER 84 HA SER 84 -14.918 -12.030 -4.954 644 HG SER 84 HG SER 84 -16.969 -11.170 -3.481 645 HB2 SER 84 2HB SER 84 -14.323 -10.799 -2.555 646 HB3 SER 84 1HB SER 84 -15.384 -9.627 -3.336 647 H GLU 85 H GLU 85 -13.378 -8.887 -5.246 648 HA GLU 85 HA GLU 85 -14.724 -8.365 -7.729 649 HB2 GLU 85 2HB GLU 85 -15.832 -6.312 -7.067 650 HB3 GLU 85 1HB GLU 85 -16.430 -7.639 -6.081 651 HG2 GLU 85 2HG GLU 85 -15.227 -6.916 -4.192 652 HG3 GLU 85 1HG GLU 85 -14.237 -5.813 -5.148 653 H SER 86 H SER 86 -14.084 -6.019 -8.477 654 HA SER 86 HA SER 86 -11.233 -5.891 -8.308 655 HG SER 86 HG SER 86 -13.746 -3.617 -10.538 656 HB2 SER 86 2HB SER 86 -11.554 -3.775 -9.682 657 HB3 SER 86 1HB SER 86 -12.217 -5.247 -10.391 658 H LEU 87 H LEU 87 -11.345 -5.744 -5.918 659 HA LEU 87 HA LEU 87 -11.760 -4.483 -3.928 660 HG LEU 87 HG LEU 87 -8.277 -4.637 -3.158 661 HB2 LEU 87 2HB LEU 87 -9.194 -4.232 -5.203 662 HB3 LEU 87 1HB LEU 87 -9.578 -2.737 -4.382 663 HD11 LEU 87 1HD1 LEU 87 -9.547 -3.881 -1.014 664 HD12 LEU 87 2HD1 LEU 87 -10.400 -2.810 -2.127 665 HD13 LEU 87 3HD1 LEU 87 -8.646 -2.700 -1.967 666 HD21 LEU 87 3HD2 LEU 87 -10.029 -6.363 -3.560 667 HD22 LEU 87 1HD2 LEU 87 -11.104 -5.447 -2.505 668 HD23 LEU 87 2HD2 LEU 87 -9.615 -6.136 -1.864 669 H GLU 88 H GLU 88 -13.360 -3.070 -3.573 670 HA GLU 88 HA GLU 88 -13.688 -0.700 -5.137 671 HB2 GLU 88 2HB GLU 88 -15.564 -1.825 -3.928 672 HB3 GLU 88 1HB GLU 88 -14.830 -1.342 -2.405 673 HG2 GLU 88 2HG GLU 88 -15.050 1.032 -3.145 674 HG3 GLU 88 1HG GLU 88 -15.971 0.451 -4.531 675 H ILE 89 H ILE 89 -11.890 0.580 -5.085 676 HA ILE 89 HA ILE 89 -11.189 1.687 -2.464 677 HB ILE 89 HB ILE 89 -8.863 1.543 -2.806 678 HG12 ILE 89 2HG1 ILE 89 -9.077 2.150 -5.337 679 HG13 ILE 89 1HG1 ILE 89 -7.719 1.177 -4.801 680 HG21 ILE 89 1HG2 ILE 89 -10.199 -0.974 -3.726 681 HG22 ILE 89 2HG2 ILE 89 -9.635 -0.558 -2.108 682 HG23 ILE 89 3HG2 ILE 89 -8.471 -0.873 -3.395 683 HD11 ILE 89 3HD1 ILE 89 -8.655 0.318 -6.862 684 HD12 ILE 89 1HD1 ILE 89 -10.228 0.131 -6.088 685 HD13 ILE 89 2HD1 ILE 89 -8.857 -0.842 -5.548 686 H ALA 90 H ALA 90 -11.169 3.914 -2.425 687 HA ALA 90 HA ALA 90 -11.405 5.239 -5.030 688 HB1 ALA 90 3HB ALA 90 -13.077 5.694 -3.160 689 HB2 ALA 90 1HB ALA 90 -12.347 7.101 -3.933 690 HB3 ALA 90 2HB ALA 90 -11.773 6.573 -2.354 691 H TRP 91 H TRP 91 -9.553 5.807 -5.885 692 HA TRP 91 HA TRP 91 -7.301 6.533 -4.183 693 HD1 TRP 91 HD TRP 91 -8.817 4.372 -7.724 694 HE1 TRP 91 1HE TRP 91 -9.388 5.283 -10.062 695 HE3 TRP 91 3HE TRP 91 -5.947 8.604 -7.672 696 HZ2 TRP 91 2HZ TRP 91 -8.712 7.502 -11.672 697 HZ3 TRP 91 3HZ TRP 91 -5.965 10.065 -9.652 698 HH2 TRP 91 HH TRP 91 -7.320 9.523 -11.609 699 HB2 TRP 91 2HB TRP 91 -5.976 6.447 -6.258 700 HB3 TRP 91 1HB TRP 91 -6.876 4.955 -5.999 701 H GLN 92 H GLN 92 -6.537 8.537 -3.947 702 HA GLN 92 HA GLN 92 -8.042 10.715 -5.153 703 HB2 GLN 92 2HB GLN 92 -5.891 10.677 -3.029 704 HB3 GLN 92 1HB GLN 92 -6.675 12.140 -3.607 705 HG2 GLN 92 2HG GLN 92 -8.841 11.248 -2.855 706 HG3 GLN 92 1HG GLN 92 -8.011 9.829 -2.219 707 HE21 GLN 92 1HE2 GLN 92 -7.617 13.358 -2.095 708 HE22 GLN 92 2HE2 GLN 92 -7.367 13.440 -0.388 709 HA PRO 93 HA PRO 93 -5.363 11.932 -8.416 710 HB2 PRO 93 2HB PRO 93 -5.174 14.553 -7.013 711 HB3 PRO 93 1HB PRO 93 -5.541 14.213 -8.707 712 HG2 PRO 93 2HG PRO 93 -7.481 14.875 -7.002 713 HG3 PRO 93 1HG PRO 93 -7.745 13.653 -8.260 714 HD2 PRO 93 2HD PRO 93 -7.382 13.308 -5.332 715 HD3 PRO 93 1HD PRO 93 -8.302 12.319 -6.482 716 H ALA 94 H ALA 94 -4.396 12.992 -5.170 717 HA ALA 94 HA ALA 94 -2.381 12.437 -4.109 718 HB1 ALA 94 3HB ALA 94 -0.570 11.493 -5.158 719 HB2 ALA 94 1HB ALA 94 -0.843 12.383 -6.654 720 HB3 ALA 94 2HB ALA 94 -1.860 11.000 -6.256 721 H GLU 95 H GLU 95 -3.561 14.961 -4.921 722 HA GLU 95 HA GLU 95 -1.147 16.611 -4.713 723 HB2 GLU 95 2HB GLU 95 -2.452 16.441 -7.082 724 HB3 GLU 95 1HB GLU 95 -3.334 17.765 -6.334 725 HG2 GLU 95 2HG GLU 95 -0.776 18.503 -5.836 726 HG3 GLU 95 1HG GLU 95 -0.597 17.665 -7.377 727 H SER 96 H SER 96 -4.661 17.163 -4.964 728 HA SER 96 HA SER 96 -4.533 18.519 -2.350 729 HG SER 96 HG SER 96 -6.092 19.840 -5.747 730 HB2 SER 96 2HB SER 96 -6.327 20.033 -3.175 731 HB3 SER 96 1HB SER 96 -4.834 20.183 -4.101 Start of MODEL 15 1 HA MET 1 HA MET 1 6.887 13.339 -5.116 2 HB2 MET 1 2HB MET 1 7.616 13.505 -2.842 3 HB3 MET 1 1HB MET 1 8.876 14.150 -3.887 4 HG2 MET 1 2HG MET 1 8.790 16.158 -2.928 5 HG3 MET 1 1HG MET 1 7.030 16.196 -2.958 6 HE1 MET 1 3HE MET 1 6.424 17.197 -1.116 7 HE2 MET 1 1HE MET 1 7.801 17.533 -0.068 8 HE3 MET 1 2HE MET 1 6.449 16.572 0.532 9 H PHE 2 H PHE 2 4.795 13.441 -5.639 10 HA PHE 2 HA PHE 2 3.002 15.175 -4.100 11 HD1 PHE 2 2HD PHE 2 3.464 16.647 -6.469 12 HD2 PHE 2 1HD PHE 2 2.859 12.756 -8.087 13 HE1 PHE 2 2HE PHE 2 4.734 17.287 -8.477 14 HE2 PHE 2 1HE PHE 2 4.115 13.394 -10.097 15 HZ PHE 2 HZ PHE 2 5.061 15.659 -10.296 16 HB2 PHE 2 2HB PHE 2 1.864 13.299 -6.095 17 HB3 PHE 2 1HB PHE 2 1.488 14.992 -5.810 18 H ARG 3 H ARG 3 0.854 13.975 -3.373 19 HA ARG 3 HA ARG 3 1.419 11.224 -2.633 20 HE ARG 3 HE ARG 3 4.601 10.622 1.475 21 HB2 ARG 3 2HB ARG 3 1.984 13.271 -0.794 22 HB3 ARG 3 1HB ARG 3 0.486 12.531 -0.239 23 HG2 ARG 3 2HG ARG 3 1.783 11.014 0.727 24 HG3 ARG 3 1HG ARG 3 2.027 10.365 -0.881 25 HD2 ARG 3 2HD ARG 3 4.188 10.851 -0.769 26 HD3 ARG 3 1HD ARG 3 3.813 12.551 -0.507 27 HH11 ARG 3 1HH1 ARG 3 2.968 13.655 0.916 28 HH12 ARG 3 2HH1 ARG 3 3.207 14.225 2.532 29 HH21 ARG 3 1HH2 ARG 3 4.916 11.370 3.603 30 HH22 ARG 3 2HH2 ARG 3 4.313 12.928 4.059 31 H SER 4 H SER 4 -0.300 10.011 -2.802 32 HA SER 4 HA SER 4 -2.989 11.191 -2.618 33 HG SER 4 HG SER 4 -3.251 7.823 -4.263 34 HB2 SER 4 2HB SER 4 -3.048 10.454 -4.801 35 HB3 SER 4 1HB SER 4 -1.766 9.268 -4.540 36 H THR 5 H THR 5 -4.668 9.565 -1.866 37 HA THR 5 HA THR 5 -3.530 7.401 -0.300 38 HB THR 5 HB THR 5 -4.523 8.063 1.790 39 HG1 THR 5 1HG THR 5 -5.597 10.219 0.311 40 HG21 THR 5 3HG2 THR 5 -2.323 9.237 1.022 41 HG22 THR 5 1HG2 THR 5 -3.175 9.783 2.463 42 HG23 THR 5 2HG2 THR 5 -3.350 10.668 0.951 43 H SER 6 H SER 6 -4.701 5.629 -0.357 44 HA SER 6 HA SER 6 -7.514 5.850 -1.217 45 HG SER 6 HG SER 6 -7.730 3.582 -3.192 46 HB2 SER 6 2HB SER 6 -5.958 4.586 -2.731 47 HB3 SER 6 1HB SER 6 -5.713 3.425 -1.426 48 H HIS 7 H HIS 7 -9.086 5.180 0.127 49 HA HIS 7 HA HIS 7 -8.277 3.728 2.570 50 HD1 HIS 7 1HD HIS 7 -9.825 6.807 5.084 51 HD2 HIS 7 2HD HIS 7 -10.249 2.731 4.403 52 HE1 HIS 7 1HE HIS 7 -10.142 5.775 7.353 53 HE2 HIS 7 2HE HIS 7 -10.484 3.320 6.907 54 HB2 HIS 7 2HB HIS 7 -9.250 6.130 2.708 55 HB3 HIS 7 1HB HIS 7 -10.791 5.361 2.362 56 H VAL 8 H VAL 8 -9.185 1.790 3.004 57 HA VAL 8 HA VAL 8 -11.670 1.029 1.640 58 HB VAL 8 HB VAL 8 -9.450 -0.978 1.782 59 HG11 VAL 8 1HG1 VAL 8 -11.710 -0.654 -0.186 60 HG12 VAL 8 2HG1 VAL 8 -11.785 -1.650 1.269 61 HG13 VAL 8 3HG1 VAL 8 -10.636 -2.042 -0.010 62 HG21 VAL 8 3HG2 VAL 8 -9.850 0.776 -0.628 63 HG22 VAL 8 1HG2 VAL 8 -8.569 -0.396 -0.326 64 HG23 VAL 8 2HG2 VAL 8 -8.624 1.103 0.597 65 H ARG 9 H ARG 9 -12.812 -0.735 2.679 66 HA ARG 9 HA ARG 9 -12.045 -0.984 5.505 67 HE ARG 9 HE ARG 9 -16.061 1.333 4.739 68 HB2 ARG 9 2HB ARG 9 -14.647 -0.949 4.110 69 HB3 ARG 9 1HB ARG 9 -14.512 -2.124 5.409 70 HG2 ARG 9 2HG ARG 9 -15.409 -0.146 6.344 71 HG3 ARG 9 1HG ARG 9 -13.738 -0.265 6.893 72 HD2 ARG 9 2HD ARG 9 -13.681 1.899 6.247 73 HD3 ARG 9 1HD ARG 9 -13.368 1.180 4.669 74 HH11 ARG 9 1HH1 ARG 9 -13.538 3.668 5.338 75 HH12 ARG 9 2HH1 ARG 9 -14.487 5.016 4.808 76 HH21 ARG 9 1HH2 ARG 9 -17.311 3.104 4.040 77 HH22 ARG 9 2HH2 ARG 9 -16.629 4.696 4.071 78 H THR 10 H THR 10 -10.745 -2.687 5.800 79 HA THR 10 HA THR 10 -11.606 -5.287 4.728 80 HB THR 10 HB THR 10 -9.295 -3.875 3.973 81 HG1 THR 10 1HG THR 10 -10.182 -5.271 2.574 82 HG21 THR 10 3HG2 THR 10 -8.459 -5.072 6.197 83 HG22 THR 10 1HG2 THR 10 -7.452 -4.892 4.756 84 HG23 THR 10 2HG2 THR 10 -8.283 -6.417 5.063 85 H GLU 11 H GLU 11 -10.877 -7.164 5.975 86 HA GLU 11 HA GLU 11 -10.533 -6.475 8.816 87 HB2 GLU 11 2HB GLU 11 -12.262 -8.284 7.468 88 HB3 GLU 11 1HB GLU 11 -11.176 -9.232 8.475 89 HG2 GLU 11 2HG GLU 11 -12.232 -8.629 10.325 90 HG3 GLU 11 1HG GLU 11 -12.163 -6.923 9.887 91 H SER 12 H SER 12 -8.953 -7.484 10.095 92 HA SER 12 HA SER 12 -6.924 -8.371 10.574 93 HG SER 12 HG SER 12 -5.760 -10.902 10.189 94 HB2 SER 12 2HB SER 12 -7.875 -10.499 10.158 95 HB3 SER 12 1HB SER 12 -7.828 -10.267 8.410 96 H ALA 13 H ALA 13 -7.187 -6.263 8.558 97 HA ALA 13 HA ALA 13 -5.488 -6.444 6.386 98 HB1 ALA 13 3HB ALA 13 -6.927 -4.509 6.958 99 HB2 ALA 13 1HB ALA 13 -5.295 -4.072 6.454 100 HB3 ALA 13 2HB ALA 13 -5.726 -4.061 8.157 101 H ALA 14 H ALA 14 -4.562 -5.362 9.635 102 HA ALA 14 HA ALA 14 -1.968 -4.675 9.300 103 HB1 ALA 14 3HB ALA 14 -1.560 -5.387 11.614 104 HB2 ALA 14 1HB ALA 14 -3.090 -6.266 11.592 105 HB3 ALA 14 2HB ALA 14 -3.078 -4.510 11.413 106 H ARG 15 H ARG 15 -3.109 -7.973 9.013 107 HA ARG 15 HA ARG 15 -0.472 -9.115 9.276 108 HE ARG 15 HE ARG 15 1.692 -12.344 9.542 109 HB2 ARG 15 2HB ARG 15 -2.840 -10.200 9.683 110 HB3 ARG 15 1HB ARG 15 -2.736 -10.566 7.969 111 HG2 ARG 15 2HG ARG 15 -1.178 -11.648 10.238 112 HG3 ARG 15 1HG ARG 15 -1.884 -12.466 8.850 113 HD2 ARG 15 2HD ARG 15 -0.101 -11.777 7.426 114 HD3 ARG 15 1HD ARG 15 0.504 -10.641 8.628 115 HH11 ARG 15 1HH1 ARG 15 -0.965 -13.732 7.751 116 HH12 ARG 15 2HH1 ARG 15 -0.499 -15.366 8.086 117 HH21 ARG 15 1HH2 ARG 15 2.307 -14.493 9.977 118 HH22 ARG 15 2HH2 ARG 15 1.358 -15.798 9.346 119 H TYR 16 H TYR 16 -2.634 -8.277 6.623 120 HA TYR 16 HA TYR 16 -0.988 -9.414 4.604 121 HD1 TYR 16 2HD TYR 16 -2.632 -10.788 4.823 122 HD2 TYR 16 1HD TYR 16 -5.184 -7.681 3.405 123 HE1 TYR 16 2HE TYR 16 -4.542 -12.306 4.935 124 HE2 TYR 16 1HE TYR 16 -7.100 -9.206 3.523 125 HH TYR 16 HH TYR 16 -7.064 -12.211 3.486 126 HB2 TYR 16 2HB TYR 16 -2.976 -7.148 4.335 127 HB3 TYR 16 1HB TYR 16 -2.277 -8.061 3.008 128 H VAL 17 H VAL 17 -0.792 -6.489 6.443 129 HA VAL 17 HA VAL 17 1.018 -5.190 4.603 130 HB VAL 17 HB VAL 17 -0.028 -4.482 7.316 131 HG11 VAL 17 1HG1 VAL 17 2.663 -3.805 6.370 132 HG12 VAL 17 2HG1 VAL 17 1.957 -3.645 7.980 133 HG13 VAL 17 3HG1 VAL 17 1.673 -2.407 6.764 134 HG21 VAL 17 3HG2 VAL 17 -1.132 -3.791 5.207 135 HG22 VAL 17 1HG2 VAL 17 0.315 -2.858 4.820 136 HG23 VAL 17 2HG2 VAL 17 -0.639 -2.447 6.243 137 H ASN 18 H ASN 18 1.237 -6.933 7.677 138 HA ASN 18 HA ASN 18 4.048 -6.690 7.901 139 HB2 ASN 18 2HB ASN 18 2.270 -8.804 9.127 140 HB3 ASN 18 1HB ASN 18 3.877 -8.336 9.675 141 HD21 ASN 18 1HD2 ASN 18 1.427 -8.335 11.173 142 HD22 ASN 18 2HD2 ASN 18 1.153 -6.707 11.686 143 H ARG 19 H ARG 19 1.968 -8.955 6.219 144 HA ARG 19 HA ARG 19 4.013 -10.928 5.858 145 HE ARG 19 HE ARG 19 2.127 -15.318 6.530 146 HB2 ARG 19 2HB ARG 19 1.297 -10.944 5.655 147 HB3 ARG 19 1HB ARG 19 1.765 -10.912 3.959 148 HG2 ARG 19 2HG ARG 19 2.116 -13.091 4.046 149 HG3 ARG 19 1HG ARG 19 3.412 -12.809 5.207 150 HD2 ARG 19 2HD ARG 19 1.973 -13.097 7.041 151 HD3 ARG 19 1HD ARG 19 0.532 -12.991 6.030 152 HH11 ARG 19 1HH1 ARG 19 -0.011 -13.786 4.236 153 HH12 ARG 19 2HH1 ARG 19 -0.503 -15.279 3.509 154 HH21 ARG 19 1HH2 ARG 19 1.480 -17.282 5.575 155 HH22 ARG 19 2HH2 ARG 19 0.344 -17.263 4.269 156 H LEU 20 H LEU 20 3.237 -7.994 4.272 157 HA LEU 20 HA LEU 20 4.170 -8.664 1.674 158 HG LEU 20 HG LEU 20 1.741 -6.749 2.848 159 HB2 LEU 20 2HB LEU 20 3.947 -5.980 3.020 160 HB3 LEU 20 1HB LEU 20 4.265 -6.217 1.314 161 HD11 LEU 20 1HD1 LEU 20 0.770 -5.192 1.384 162 HD12 LEU 20 2HD1 LEU 20 2.091 -5.335 0.223 163 HD13 LEU 20 3HD1 LEU 20 2.353 -4.509 1.758 164 HD21 LEU 20 3HD2 LEU 20 2.524 -7.866 0.154 165 HD22 LEU 20 1HD2 LEU 20 0.846 -7.661 0.651 166 HD23 LEU 20 2HD2 LEU 20 1.906 -8.735 1.560 167 H CYS 21 H CYS 21 5.749 -7.002 4.409 168 HA CYS 21 HA CYS 21 8.149 -6.445 3.098 169 HG CYS 21 HG CYS 21 7.064 -4.920 6.613 170 HB2 CYS 21 2HB CYS 21 8.039 -7.170 6.026 171 HB3 CYS 21 1HB CYS 21 9.116 -6.041 5.222 172 H LYS 22 H LYS 22 6.978 -9.381 4.577 173 HA LYS 22 HA LYS 22 9.521 -10.733 4.277 174 HB2 LYS 22 2HB LYS 22 6.816 -11.853 5.018 175 HB3 LYS 22 1HB LYS 22 8.361 -12.680 5.169 176 HG2 LYS 22 2HG LYS 22 8.808 -11.710 7.126 177 HG3 LYS 22 1HG LYS 22 8.323 -10.116 6.548 178 HD2 LYS 22 2HD LYS 22 6.842 -10.676 8.315 179 HD3 LYS 22 1HD LYS 22 5.932 -10.874 6.814 180 HE2 LYS 22 2HE LYS 22 5.403 -12.766 8.081 181 HE3 LYS 22 1HE LYS 22 6.611 -13.325 6.924 182 HZ1 LYS 22 3HZ LYS 22 8.223 -12.708 8.875 183 HZ2 LYS 22 1HZ LYS 22 7.432 -14.203 8.843 184 HZ3 LYS 22 2HZ LYS 22 6.843 -12.955 9.821 185 H HIS 23 H HIS 23 6.681 -10.178 2.418 186 HA HIS 23 HA HIS 23 7.028 -12.466 0.698 187 HD1 HIS 23 1HD HIS 23 3.047 -12.720 0.075 188 HD2 HIS 23 2HD HIS 23 6.251 -11.682 -2.359 189 HE1 HIS 23 1HE HIS 23 2.601 -13.835 -2.134 190 HE2 HIS 23 2HE HIS 23 4.600 -13.270 -3.561 191 HB2 HIS 23 2HB HIS 23 4.788 -11.459 1.312 192 HB3 HIS 23 1HB HIS 23 5.195 -10.114 0.251 193 H TRP 24 H TRP 24 7.009 -8.920 0.113 194 HA TRP 24 HA TRP 24 8.421 -9.379 -2.394 195 HD1 TRP 24 HD TRP 24 8.783 -4.857 -2.096 196 HE1 TRP 24 1HE TRP 24 9.789 -4.244 -4.383 197 HE3 TRP 24 3HE TRP 24 7.626 -9.125 -4.662 198 HZ2 TRP 24 2HZ TRP 24 10.056 -5.414 -6.940 199 HZ3 TRP 24 3HZ TRP 24 8.292 -9.298 -7.024 200 HH2 TRP 24 HH TRP 24 9.481 -7.479 -8.138 201 HB2 TRP 24 2HB TRP 24 6.582 -7.771 -2.368 202 HB3 TRP 24 1HB TRP 24 7.418 -6.805 -1.156 203 H GLY 25 H GLY 25 9.294 -8.712 0.845 204 HA2 GLY 25 2HA GLY 25 11.545 -7.047 0.374 205 HA3 GLY 25 1HA GLY 25 11.265 -8.013 1.807 206 H HIS 26 H HIS 26 12.118 -8.493 -1.614 207 HA HIS 26 HA HIS 26 14.036 -10.542 -0.730 208 HD1 HIS 26 1HD HIS 26 12.780 -12.475 -0.318 209 HD2 HIS 26 2HD HIS 26 14.048 -13.177 -4.214 210 HE1 HIS 26 1HE HIS 26 13.377 -14.917 -0.402 211 HE2 HIS 26 2HE HIS 26 14.225 -15.297 -2.744 212 HB2 HIS 26 2HB HIS 26 11.982 -10.726 -2.625 213 HB3 HIS 26 1HB HIS 26 13.464 -10.615 -3.569 214 H LYS 27 H LYS 27 13.576 -7.589 -2.517 215 HA LYS 27 HA LYS 27 16.464 -7.264 -2.693 216 HB2 LYS 27 2HB LYS 27 16.094 -8.382 -4.763 217 HB3 LYS 27 1HB LYS 27 14.665 -7.425 -5.108 218 HG2 LYS 27 2HG LYS 27 17.063 -5.798 -4.806 219 HG3 LYS 27 1HG LYS 27 17.191 -6.996 -6.094 220 HD2 LYS 27 2HD LYS 27 15.759 -5.888 -7.400 221 HD3 LYS 27 1HD LYS 27 14.612 -5.670 -6.080 222 HE2 LYS 27 2HE LYS 27 15.720 -3.598 -7.202 223 HE3 LYS 27 1HE LYS 27 15.502 -3.648 -5.455 224 HZ1 LYS 27 3HZ LYS 27 17.782 -2.978 -6.492 225 HZ2 LYS 27 1HZ LYS 27 18.015 -4.650 -6.596 226 HZ3 LYS 27 2HZ LYS 27 17.729 -3.926 -5.093 227 H PHE 28 H PHE 28 13.968 -6.034 -1.425 228 HA PHE 28 HA PHE 28 14.680 -3.288 -2.123 229 HD1 PHE 28 2HD PHE 28 13.480 -1.563 -3.862 230 HD2 PHE 28 1HD PHE 28 11.927 -5.510 -4.187 231 HE1 PHE 28 2HE PHE 28 13.659 -1.425 -6.312 232 HE2 PHE 28 1HE PHE 28 12.102 -5.381 -6.639 233 HZ PHE 28 HZ PHE 28 12.968 -3.336 -7.704 234 HB2 PHE 28 2HB PHE 28 11.885 -4.406 -2.119 235 HB3 PHE 28 1HB PHE 28 12.221 -2.680 -2.002 236 H GLU 29 H GLU 29 13.848 -1.690 -0.542 237 HA GLU 29 HA GLU 29 14.349 -2.707 2.120 238 HB2 GLU 29 2HB GLU 29 14.204 -0.294 2.783 239 HB3 GLU 29 1HB GLU 29 15.431 -0.651 1.577 240 HG2 GLU 29 2HG GLU 29 14.171 0.328 -0.148 241 HG3 GLU 29 1HG GLU 29 12.711 0.372 0.837 242 H VAL 30 H VAL 30 12.657 -3.809 2.923 243 HA VAL 30 HA VAL 30 10.051 -2.444 2.960 244 HB VAL 30 HB VAL 30 9.333 -4.930 3.632 245 HG11 VAL 30 1HG1 VAL 30 9.066 -5.303 1.055 246 HG12 VAL 30 2HG1 VAL 30 9.611 -3.630 0.967 247 HG13 VAL 30 3HG1 VAL 30 8.159 -4.040 1.884 248 HG21 VAL 30 3HG2 VAL 30 11.487 -5.513 1.630 249 HG22 VAL 30 1HG2 VAL 30 10.558 -6.630 2.633 250 HG23 VAL 30 2HG2 VAL 30 11.793 -5.608 3.366 251 H GLU 31 H GLU 31 9.689 -1.491 4.859 252 HA GLU 31 HA GLU 31 10.842 -2.625 7.288 253 HB2 GLU 31 2HB GLU 31 10.198 0.015 6.390 254 HB3 GLU 31 1HB GLU 31 9.292 -0.310 7.860 255 HG2 GLU 31 2HG GLU 31 11.137 -0.350 9.155 256 HG3 GLU 31 1HG GLU 31 12.141 -1.064 7.893 257 H LEU 32 H LEU 32 9.640 -3.422 8.968 258 HA LEU 32 HA LEU 32 6.735 -3.661 8.490 259 HG LEU 32 HG LEU 32 5.862 -6.333 8.427 260 HB2 LEU 32 2HB LEU 32 8.115 -5.773 8.183 261 HB3 LEU 32 1HB LEU 32 8.400 -5.744 9.912 262 HD11 LEU 32 1HD1 LEU 32 6.481 -8.379 9.021 263 HD12 LEU 32 2HD1 LEU 32 6.163 -7.926 10.694 264 HD13 LEU 32 3HD1 LEU 32 7.787 -7.759 10.029 265 HD21 LEU 32 3HD2 LEU 32 5.076 -4.696 9.966 266 HD22 LEU 32 1HD2 LEU 32 6.083 -5.335 11.264 267 HD23 LEU 32 2HD2 LEU 32 4.711 -6.267 10.673 268 H THR 33 H THR 33 5.754 -2.361 9.849 269 HA THR 33 HA THR 33 6.505 -2.506 12.716 270 HB THR 33 HB THR 33 5.429 -0.061 12.622 271 HG1 THR 33 1HG THR 33 5.152 -0.236 10.305 272 HG21 THR 33 3HG2 THR 33 7.519 -0.065 13.539 273 HG22 THR 33 1HG2 THR 33 7.823 0.805 12.035 274 HG23 THR 33 2HG2 THR 33 8.241 -0.903 12.165 275 HA PRO 34 HA PRO 34 2.220 -3.378 13.275 276 HB2 PRO 34 2HB PRO 34 1.631 -2.264 15.650 277 HB3 PRO 34 1HB PRO 34 2.713 -3.648 15.492 278 HG2 PRO 34 2HG PRO 34 3.376 -0.769 15.900 279 HG3 PRO 34 1HG PRO 34 4.136 -2.205 16.606 280 HD2 PRO 34 2HD PRO 34 5.142 -0.793 14.456 281 HD3 PRO 34 1HD PRO 34 5.522 -2.490 14.814 282 H GLU 35 H GLU 35 2.449 -1.384 11.479 283 HA GLU 35 HA GLU 35 0.016 0.077 11.863 284 HB2 GLU 35 2HB GLU 35 2.641 1.568 11.701 285 HB3 GLU 35 1HB GLU 35 1.063 2.315 11.487 286 HG2 GLU 35 2HG GLU 35 0.518 1.401 13.805 287 HG3 GLU 35 1HG GLU 35 2.250 1.111 13.959 288 H ARG 36 H ARG 36 2.928 -0.412 9.847 289 HA ARG 36 HA ARG 36 1.348 -0.826 7.542 290 HE ARG 36 HE ARG 36 4.607 4.173 7.577 291 HB2 ARG 36 2HB ARG 36 2.164 1.141 6.237 292 HB3 ARG 36 1HB ARG 36 1.048 1.555 7.528 293 HG2 ARG 36 2HG ARG 36 3.207 1.944 8.919 294 HG3 ARG 36 1HG ARG 36 3.987 2.039 7.340 295 HD2 ARG 36 2HD ARG 36 2.048 3.705 6.806 296 HD3 ARG 36 1HD ARG 36 1.940 3.837 8.560 297 HH11 ARG 36 1HH1 ARG 36 1.574 5.797 8.158 298 HH12 ARG 36 2HH1 ARG 36 2.296 7.365 8.294 299 HH21 ARG 36 1HH2 ARG 36 5.559 6.234 7.756 300 HH22 ARG 36 2HH2 ARG 36 4.558 7.613 8.066 301 H GLY 37 H GLY 37 2.646 -0.889 5.521 302 HA2 GLY 37 2HA GLY 37 5.309 -2.020 6.105 303 HA3 GLY 37 1HA GLY 37 4.287 -2.498 4.757 304 H PHE 38 H PHE 38 7.013 -0.737 5.429 305 HA PHE 38 HA PHE 38 6.511 1.336 3.407 306 HD1 PHE 38 1HD PHE 38 7.124 3.752 3.571 307 HD2 PHE 38 2HD PHE 38 10.774 1.881 4.723 308 HE1 PHE 38 1HE PHE 38 8.387 5.619 2.601 309 HE2 PHE 38 2HE PHE 38 12.039 3.744 3.745 310 HZ PHE 38 HZ PHE 38 10.847 5.616 2.677 311 HB2 PHE 38 2HB PHE 38 7.432 1.999 5.597 312 HB3 PHE 38 1HB PHE 38 8.793 0.917 5.359 313 H ILE 39 H ILE 39 7.003 0.816 1.385 314 HA ILE 39 HA ILE 39 9.395 -0.877 0.932 315 HB ILE 39 HB ILE 39 7.063 -0.914 -0.966 316 HG12 ILE 39 2HG1 ILE 39 7.393 -2.471 1.585 317 HG13 ILE 39 1HG1 ILE 39 5.939 -1.752 0.899 318 HG21 ILE 39 1HG2 ILE 39 8.719 -3.303 -0.648 319 HG22 ILE 39 2HG2 ILE 39 9.622 -1.879 -1.159 320 HG23 ILE 39 3HG2 ILE 39 8.243 -2.436 -2.106 321 HD11 ILE 39 3HD1 ILE 39 5.866 -4.181 0.846 322 HD12 ILE 39 1HD1 ILE 39 7.331 -4.210 -0.137 323 HD13 ILE 39 2HD1 ILE 39 5.849 -3.501 -0.782 324 H ASP 40 H ASP 40 10.924 0.462 0.079 325 HA ASP 40 HA ASP 40 10.018 2.498 -1.838 326 HB2 ASP 40 2HB ASP 40 11.299 3.915 -0.675 327 HB3 ASP 40 1HB ASP 40 11.941 2.617 0.315 328 H PHE 41 H PHE 41 10.596 2.429 -3.877 329 HA PHE 41 HA PHE 41 12.301 0.208 -4.750 330 HD1 PHE 41 1HD PHE 41 8.574 0.282 -4.813 331 HD2 PHE 41 2HD PHE 41 11.571 -1.217 -7.435 332 HE1 PHE 41 1HE PHE 41 7.443 -1.900 -4.850 333 HE2 PHE 41 2HE PHE 41 10.444 -3.403 -7.478 334 HZ PHE 41 HZ PHE 41 8.377 -3.746 -6.184 335 HB2 PHE 41 2HB PHE 41 10.081 1.777 -5.981 336 HB3 PHE 41 1HB PHE 41 11.321 1.157 -7.062 337 H GLY 42 H GLY 42 12.856 3.206 -3.820 338 HA2 GLY 42 2HA GLY 42 15.183 3.956 -4.314 339 HA3 GLY 42 1HA GLY 42 14.738 3.824 -6.011 340 H ASP 43 H ASP 43 13.893 5.575 -6.994 341 HA ASP 43 HA ASP 43 13.500 7.981 -5.406 342 HB2 ASP 43 2HB ASP 43 14.205 7.386 -8.145 343 HB3 ASP 43 1HB ASP 43 12.844 8.503 -8.103 344 H SER 44 H SER 44 11.684 6.291 -4.603 345 HA SER 44 HA SER 44 9.216 7.486 -4.881 346 HG SER 44 HG SER 44 10.191 4.529 -7.064 347 HB2 SER 44 2HB SER 44 8.343 5.231 -6.229 348 HB3 SER 44 1HB SER 44 8.583 6.819 -6.959 349 H ASN 45 H ASN 45 7.435 6.057 -3.805 350 HA ASN 45 HA ASN 45 8.484 3.720 -2.440 351 HB2 ASN 45 2HB ASN 45 7.329 5.736 -0.585 352 HB3 ASN 45 1HB ASN 45 8.573 4.527 -0.295 353 HD21 ASN 45 1HD2 ASN 45 10.409 5.423 0.242 354 HD22 ASN 45 2HD2 ASN 45 11.073 6.875 -0.418 355 H CYS 46 H CYS 46 6.772 2.819 -0.882 356 HA CYS 46 HA CYS 46 4.050 3.562 -1.535 357 HG CYS 46 HG CYS 46 2.600 0.424 -2.963 358 HB2 CYS 46 2HB CYS 46 4.910 1.958 -3.331 359 HB3 CYS 46 1HB CYS 46 4.891 0.724 -2.073 360 H GLU 47 H GLU 47 3.443 3.836 0.529 361 HA GLU 47 HA GLU 47 4.120 1.816 2.523 362 HB2 GLU 47 2HB GLU 47 4.219 4.479 2.690 363 HB3 GLU 47 1HB GLU 47 2.550 4.266 3.194 364 HG2 GLU 47 2HG GLU 47 3.131 3.350 5.190 365 HG3 GLU 47 1HG GLU 47 4.602 2.609 4.562 366 H LEU 48 H LEU 48 2.449 0.905 3.900 367 HA LEU 48 HA LEU 48 -0.279 1.113 2.854 368 HG LEU 48 HG LEU 48 -0.983 -2.105 3.769 369 HB2 LEU 48 2HB LEU 48 0.680 -0.772 1.648 370 HB3 LEU 48 1HB LEU 48 1.211 -1.506 3.146 371 HD11 LEU 48 1HD1 LEU 48 -2.885 -1.406 2.095 372 HD12 LEU 48 2HD1 LEU 48 -1.812 -0.040 1.796 373 HD13 LEU 48 3HD1 LEU 48 -2.406 -0.356 3.427 374 HD21 LEU 48 3HD2 LEU 48 -0.457 -3.746 2.296 375 HD22 LEU 48 1HD2 LEU 48 -0.242 -2.629 0.948 376 HD23 LEU 48 2HD2 LEU 48 -1.865 -3.081 1.468 377 H LEU 49 H LEU 49 -1.511 1.639 4.514 378 HA LEU 49 HA LEU 49 -0.735 0.845 7.227 379 HG LEU 49 HG LEU 49 -2.107 1.689 8.990 380 HB2 LEU 49 2HB LEU 49 -1.588 3.192 6.553 381 HB3 LEU 49 1HB LEU 49 -3.171 2.439 6.528 382 HD11 LEU 49 1HD1 LEU 49 -0.494 3.170 9.428 383 HD12 LEU 49 2HD1 LEU 49 -1.813 4.316 9.667 384 HD13 LEU 49 3HD1 LEU 49 -0.981 4.239 8.113 385 HD21 LEU 49 3HD2 LEU 49 -4.408 2.185 8.696 386 HD22 LEU 49 1HD2 LEU 49 -4.059 3.832 8.175 387 HD23 LEU 49 2HD2 LEU 49 -3.782 3.361 9.852 388 H ALA 50 H ALA 50 -1.731 -0.734 8.368 389 HA ALA 50 HA ALA 50 -4.286 -1.735 7.374 390 HB1 ALA 50 3HB ALA 50 -2.613 -3.003 6.186 391 HB2 ALA 50 1HB ALA 50 -3.493 -4.023 7.311 392 HB3 ALA 50 2HB ALA 50 -1.868 -3.481 7.711 393 H HIS 51 H HIS 51 -5.607 -1.720 9.010 394 HA HIS 51 HA HIS 51 -4.653 -2.582 11.625 395 HD1 HIS 51 1HD HIS 51 -7.590 -0.072 13.798 396 HD2 HIS 51 2HD HIS 51 -3.654 -1.299 13.253 397 HE1 HIS 51 1HE HIS 51 -6.483 0.198 16.038 398 HE2 HIS 51 2HE HIS 51 -4.127 -0.626 15.703 399 HB2 HIS 51 2HB HIS 51 -5.826 -0.168 11.011 400 HB3 HIS 51 1HB HIS 51 -7.209 -1.112 11.540 401 HA PRO 52 HA PRO 52 -7.228 -6.118 11.884 402 HB2 PRO 52 2HB PRO 52 -8.920 -4.660 13.875 403 HB3 PRO 52 1HB PRO 52 -8.248 -6.294 13.948 404 HG2 PRO 52 2HG PRO 52 -7.085 -4.330 15.283 405 HG3 PRO 52 1HG PRO 52 -6.101 -5.530 14.428 406 HD2 PRO 52 2HD PRO 52 -6.707 -2.706 13.688 407 HD3 PRO 52 1HD PRO 52 -5.232 -3.647 13.409 408 H ASP 53 H ASP 53 -8.852 -3.065 11.233 409 HA ASP 53 HA ASP 53 -10.801 -4.593 9.692 410 HB2 ASP 53 2HB ASP 53 -11.654 -3.899 12.051 411 HB3 ASP 53 1HB ASP 53 -11.808 -2.297 11.336 412 H HIS 54 H HIS 54 -8.585 -2.150 9.574 413 HA HIS 54 HA HIS 54 -9.900 -1.184 7.177 414 HD1 HIS 54 1HD HIS 54 -10.051 0.385 11.229 415 HD2 HIS 54 2HD HIS 54 -6.944 1.830 8.877 416 HE1 HIS 54 1HE HIS 54 -8.384 1.355 12.840 417 HE2 HIS 54 2HE HIS 54 -6.545 2.288 11.391 418 HB2 HIS 54 2HB HIS 54 -9.420 1.196 7.670 419 HB3 HIS 54 1HB HIS 54 -10.615 0.485 8.740 420 H VAL 55 H VAL 55 -8.467 -0.073 5.654 421 HA VAL 55 HA VAL 55 -5.622 -0.420 6.198 422 HB VAL 55 HB VAL 55 -6.790 -2.393 4.894 423 HG11 VAL 55 1HG1 VAL 55 -7.100 -2.195 2.635 424 HG12 VAL 55 2HG1 VAL 55 -5.995 -0.828 2.493 425 HG13 VAL 55 3HG1 VAL 55 -7.605 -0.593 3.172 426 HG21 VAL 55 3HG2 VAL 55 -4.389 -2.168 5.409 427 HG22 VAL 55 1HG2 VAL 55 -4.189 -1.237 3.924 428 HG23 VAL 55 2HG2 VAL 55 -4.696 -2.924 3.847 429 H LEU 56 H LEU 56 -4.349 1.089 5.270 430 HA LEU 56 HA LEU 56 -5.647 3.054 3.492 431 HG LEU 56 HG LEU 56 -6.396 4.635 5.465 432 HB2 LEU 56 2HB LEU 56 -4.329 3.433 6.038 433 HB3 LEU 56 1HB LEU 56 -3.463 4.302 4.793 434 HD11 LEU 56 1HD1 LEU 56 -5.817 6.657 6.532 435 HD12 LEU 56 2HD1 LEU 56 -4.155 6.583 5.946 436 HD13 LEU 56 3HD1 LEU 56 -4.713 5.436 7.166 437 HD21 LEU 56 3HD2 LEU 56 -4.647 5.762 3.329 438 HD22 LEU 56 1HD2 LEU 56 -5.852 6.812 4.073 439 HD23 LEU 56 2HD2 LEU 56 -6.355 5.324 3.276 440 H MET 57 H MET 57 -4.410 3.889 1.806 441 HA MET 57 HA MET 57 -1.821 2.572 1.372 442 HB2 MET 57 2HB MET 57 -3.736 3.138 -0.870 443 HB3 MET 57 1HB MET 57 -2.337 2.070 -0.864 444 HG2 MET 57 2HG MET 57 -3.488 0.574 0.708 445 HG3 MET 57 1HG MET 57 -4.896 1.635 0.657 446 HE1 MET 57 3HE MET 57 -7.044 0.214 -1.380 447 HE2 MET 57 1HE MET 57 -6.471 1.520 -2.418 448 HE3 MET 57 2HE MET 57 -6.505 1.735 -0.668 449 H ILE 58 H ILE 58 -0.260 4.087 1.382 450 HA ILE 58 HA ILE 58 -0.833 6.647 0.055 451 HB ILE 58 HB ILE 58 1.000 6.238 2.424 452 HG12 ILE 58 2HG1 ILE 58 -1.859 6.581 2.332 453 HG13 ILE 58 1HG1 ILE 58 -0.827 6.355 3.729 454 HG21 ILE 58 1HG2 ILE 58 1.657 8.029 0.885 455 HG22 ILE 58 2HG2 ILE 58 1.166 8.652 2.460 456 HG23 ILE 58 3HG2 ILE 58 0.067 8.767 1.083 457 HD11 ILE 58 3HD1 ILE 58 -0.619 8.632 4.103 458 HD12 ILE 58 1HD1 ILE 58 -2.301 8.449 3.605 459 HD13 ILE 58 2HD1 ILE 58 -1.101 9.051 2.459 460 H LEU 59 H LEU 59 0.662 7.361 -1.390 461 HA LEU 59 HA LEU 59 3.102 5.734 -1.689 462 HG LEU 59 HG LEU 59 1.286 7.022 -5.333 463 HB2 LEU 59 2HB LEU 59 2.951 5.803 -4.008 464 HB3 LEU 59 1HB LEU 59 1.311 5.489 -3.489 465 HD11 LEU 59 1HD1 LEU 59 0.687 8.487 -2.786 466 HD12 LEU 59 2HD1 LEU 59 -0.378 7.324 -3.576 467 HD13 LEU 59 3HD1 LEU 59 0.026 8.842 -4.379 468 HD21 LEU 59 3HD2 LEU 59 2.550 9.281 -3.975 469 HD22 LEU 59 1HD2 LEU 59 2.644 8.766 -5.654 470 HD23 LEU 59 2HD2 LEU 59 3.656 7.992 -4.440 471 H ASN 60 H ASN 60 5.008 6.765 -2.200 472 HA ASN 60 HA ASN 60 4.932 9.712 -2.155 473 HB2 ASN 60 2HB ASN 60 7.259 8.104 -1.108 474 HB3 ASN 60 1HB ASN 60 6.895 9.806 -0.834 475 HD21 ASN 60 1HD2 ASN 60 5.546 6.576 -0.267 476 HD22 ASN 60 2HD2 ASN 60 4.899 6.934 1.294 477 H SER 61 H SER 61 5.184 10.171 -4.276 478 HA SER 61 HA SER 61 7.670 9.223 -5.521 479 HG SER 61 HG SER 61 5.651 7.138 -5.300 480 HB2 SER 61 2HB SER 61 5.422 9.041 -7.389 481 HB3 SER 61 1HB SER 61 6.760 7.929 -7.123 482 HA PRO 62 HA PRO 62 7.902 13.406 -6.956 483 HB2 PRO 62 2HB PRO 62 9.788 13.011 -8.864 484 HB3 PRO 62 1HB PRO 62 10.120 13.074 -7.133 485 HG2 PRO 62 2HG PRO 62 9.733 10.665 -8.878 486 HG3 PRO 62 1HG PRO 62 11.005 10.981 -7.679 487 HD2 PRO 62 2HD PRO 62 8.912 9.455 -7.081 488 HD3 PRO 62 1HD PRO 62 9.578 10.585 -5.889 489 H ASP 63 H ASP 63 6.785 10.813 -8.968 490 HA ASP 63 HA ASP 63 5.663 12.840 -10.750 491 HB2 ASP 63 2HB ASP 63 7.455 10.594 -11.587 492 HB3 ASP 63 1HB ASP 63 6.192 11.151 -12.681 493 H GLU 64 H GLU 64 3.719 12.170 -11.852 494 HA GLU 64 HA GLU 64 2.071 10.516 -10.237 495 HB2 GLU 64 2HB GLU 64 1.659 11.802 -12.908 496 HB3 GLU 64 1HB GLU 64 0.585 10.495 -12.440 497 HG2 GLU 64 2HG GLU 64 -0.580 12.209 -11.557 498 HG3 GLU 64 1HG GLU 64 0.475 11.867 -10.181 499 H ASP 65 H ASP 65 3.720 9.709 -13.324 500 HA ASP 65 HA ASP 65 2.646 7.222 -13.810 501 HB2 ASP 65 2HB ASP 65 4.478 8.400 -15.109 502 HB3 ASP 65 1HB ASP 65 5.609 7.793 -13.902 503 H SER 66 H SER 66 5.419 7.966 -11.756 504 HA SER 66 HA SER 66 5.706 5.425 -10.573 505 HG SER 66 HG SER 66 6.563 6.104 -8.065 506 HB2 SER 66 2HB SER 66 7.436 7.245 -10.505 507 HB3 SER 66 1HB SER 66 6.410 8.101 -9.350 508 H LEU 67 H LEU 67 4.340 8.411 -9.349 509 HA LEU 67 HA LEU 67 3.242 7.785 -6.981 510 HG LEU 67 HG LEU 67 1.031 9.507 -6.497 511 HB2 LEU 67 2HB LEU 67 3.090 9.989 -7.791 512 HB3 LEU 67 1HB LEU 67 2.257 9.494 -9.234 513 HD11 LEU 67 1HD1 LEU 67 1.016 11.708 -6.751 514 HD12 LEU 67 2HD1 LEU 67 -0.246 11.413 -7.947 515 HD13 LEU 67 3HD1 LEU 67 1.429 11.603 -8.461 516 HD21 LEU 67 3HD2 LEU 67 0.016 8.800 -9.200 517 HD22 LEU 67 1HD2 LEU 67 -1.073 9.562 -8.044 518 HD23 LEU 67 2HD2 LEU 67 -0.302 8.028 -7.646 519 H ALA 68 H ALA 68 1.377 7.449 -10.021 520 HA ALA 68 HA ALA 68 -0.737 6.033 -8.766 521 HB1 ALA 68 3HB ALA 68 -1.315 7.093 -10.772 522 HB2 ALA 68 1HB ALA 68 -1.271 5.385 -11.205 523 HB3 ALA 68 2HB ALA 68 0.078 6.439 -11.633 524 H HIS 69 H HIS 69 2.205 5.029 -10.435 525 HA HIS 69 HA HIS 69 1.686 2.311 -10.735 526 HD1 HIS 69 1HD HIS 69 6.261 2.187 -11.539 527 HD2 HIS 69 2HD HIS 69 2.814 0.163 -10.409 528 HE1 HIS 69 1HE HIS 69 6.818 -0.256 -11.746 529 HE2 HIS 69 2HE HIS 69 4.746 -1.462 -10.973 530 HB2 HIS 69 2HB HIS 69 3.685 3.504 -11.636 531 HB3 HIS 69 1HB HIS 69 4.348 3.548 -10.006 532 H MET 70 H MET 70 2.737 4.157 -7.956 533 HA MET 70 HA MET 70 3.152 1.840 -6.278 534 HB2 MET 70 2HB MET 70 2.829 4.636 -5.241 535 HB3 MET 70 1HB MET 70 3.861 3.360 -4.620 536 HG2 MET 70 2HG MET 70 4.553 4.196 -7.328 537 HG3 MET 70 1HG MET 70 4.668 5.482 -6.132 538 HE1 MET 70 3HE MET 70 6.927 3.023 -7.881 539 HE2 MET 70 1HE MET 70 5.653 1.996 -7.222 540 HE3 MET 70 2HE MET 70 7.310 1.828 -6.641 541 H GLN 71 H GLN 71 0.769 4.556 -6.136 542 HA GLN 71 HA GLN 71 -0.788 3.485 -4.127 543 HB2 GLN 71 2HB GLN 71 -2.736 4.743 -5.357 544 HB3 GLN 71 1HB GLN 71 -1.465 5.628 -4.537 545 HG2 GLN 71 2HG GLN 71 -0.884 6.634 -6.418 546 HG3 GLN 71 1HG GLN 71 -0.804 5.109 -7.297 547 HE21 GLN 71 1HE2 GLN 71 -2.904 4.202 -7.992 548 HE22 GLN 71 2HE2 GLN 71 -4.126 5.304 -8.518 549 H ASN 72 H ASN 72 -0.664 2.560 -7.476 550 HA ASN 72 HA ASN 72 -3.119 1.044 -7.348 551 HB2 ASN 72 2HB ASN 72 -1.851 2.151 -9.427 552 HB3 ASN 72 1HB ASN 72 -1.154 0.536 -9.518 553 HD21 ASN 72 1HD2 ASN 72 -4.310 2.091 -9.054 554 HD22 ASN 72 2HD2 ASN 72 -5.184 1.004 -10.074 555 H VAL 73 H VAL 73 0.361 0.335 -7.321 556 HA VAL 73 HA VAL 73 0.427 -2.378 -7.500 557 HB VAL 73 HB VAL 73 2.035 -0.483 -5.816 558 HG11 VAL 73 1HG1 VAL 73 2.047 -2.475 -4.482 559 HG12 VAL 73 2HG1 VAL 73 3.594 -2.359 -5.322 560 HG13 VAL 73 3HG1 VAL 73 2.358 -3.479 -5.899 561 HG21 VAL 73 3HG2 VAL 73 3.296 -2.239 -7.804 562 HG22 VAL 73 1HG2 VAL 73 3.503 -0.511 -7.517 563 HG23 VAL 73 2HG2 VAL 73 2.124 -1.091 -8.451 564 H VAL 74 H VAL 74 -0.331 -0.492 -4.591 565 HA VAL 74 HA VAL 74 -0.716 -2.772 -2.920 566 HB VAL 74 HB VAL 74 -1.742 0.047 -2.583 567 HG11 VAL 74 1HG1 VAL 74 -2.217 -0.471 -0.302 568 HG12 VAL 74 2HG1 VAL 74 -1.517 -2.078 -0.461 569 HG13 VAL 74 3HG1 VAL 74 -3.017 -1.686 -1.297 570 HG21 VAL 74 3HG2 VAL 74 0.275 -0.623 -0.705 571 HG22 VAL 74 1HG2 VAL 74 0.324 0.593 -1.979 572 HG23 VAL 74 2HG2 VAL 74 0.868 -1.053 -2.307 573 H ALA 75 H ALA 75 -2.970 -0.647 -4.707 574 HA ALA 75 HA ALA 75 -5.386 -1.671 -3.892 575 HB1 ALA 75 3HB ALA 75 -4.597 -0.800 -6.673 576 HB2 ALA 75 1HB ALA 75 -5.276 0.215 -5.399 577 HB3 ALA 75 2HB ALA 75 -6.254 -1.057 -6.130 578 H ASP 76 H ASP 76 -2.950 -3.104 -5.876 579 HA ASP 76 HA ASP 76 -4.597 -5.216 -6.919 580 HB2 ASP 76 2HB ASP 76 -2.210 -4.181 -7.678 581 HB3 ASP 76 1HB ASP 76 -1.668 -5.612 -6.807 582 H HIS 77 H HIS 77 -2.267 -4.875 -4.272 583 HA HIS 77 HA HIS 77 -2.165 -7.563 -3.503 584 HD1 HIS 77 1HD HIS 77 -0.586 -6.308 -4.804 585 HD2 HIS 77 2HD HIS 77 1.058 -4.718 -1.335 586 HE1 HIS 77 1HE HIS 77 1.684 -5.454 -5.465 587 HE2 HIS 77 2HE HIS 77 2.691 -4.572 -3.332 588 HB2 HIS 77 2HB HIS 77 -1.891 -5.184 -1.662 589 HB3 HIS 77 1HB HIS 77 -1.243 -6.795 -1.411 590 H LEU 78 H LEU 78 -4.401 -4.991 -2.507 591 HA LEU 78 HA LEU 78 -5.742 -6.490 -0.529 592 HG LEU 78 HG LEU 78 -4.994 -3.272 -0.715 593 HB2 LEU 78 2HB LEU 78 -6.618 -4.126 -2.187 594 HB3 LEU 78 1HB LEU 78 -7.578 -4.799 -0.889 595 HD11 LEU 78 1HD1 LEU 78 -6.210 -1.859 0.743 596 HD12 LEU 78 2HD1 LEU 78 -7.547 -3.003 0.850 597 HD13 LEU 78 3HD1 LEU 78 -7.236 -2.150 -0.661 598 HD21 LEU 78 3HD2 LEU 78 -4.424 -4.991 0.738 599 HD22 LEU 78 1HD2 LEU 78 -6.096 -5.266 1.228 600 HD23 LEU 78 2HD2 LEU 78 -5.230 -3.844 1.807 601 H GLN 79 H GLN 79 -5.851 -6.593 -3.961 602 HA GLN 79 HA GLN 79 -8.507 -7.565 -4.249 603 HB2 GLN 79 2HB GLN 79 -6.137 -7.855 -6.099 604 HB3 GLN 79 1HB GLN 79 -7.810 -8.183 -6.527 605 HG2 GLN 79 2HG GLN 79 -7.530 -5.538 -5.423 606 HG3 GLN 79 1HG GLN 79 -6.436 -5.778 -6.783 607 HE21 GLN 79 1HE2 GLN 79 -8.321 -3.946 -7.106 608 HE22 GLN 79 2HE2 GLN 79 -9.571 -4.499 -8.162 609 H ARG 80 H ARG 80 -5.402 -9.296 -4.643 610 HA ARG 80 HA ARG 80 -6.480 -11.841 -4.829 611 HE ARG 80 HE ARG 80 -3.930 -11.865 -1.723 612 HB2 ARG 80 2HB ARG 80 -4.181 -12.554 -3.825 613 HB3 ARG 80 1HB ARG 80 -4.256 -11.794 -5.408 614 HG2 ARG 80 2HG ARG 80 -2.950 -10.145 -4.746 615 HG3 ARG 80 1HG ARG 80 -3.992 -9.795 -3.365 616 HD2 ARG 80 2HD ARG 80 -1.694 -11.731 -3.523 617 HD3 ARG 80 1HD ARG 80 -1.853 -10.315 -2.484 618 HH11 ARG 80 1HH1 ARG 80 -0.517 -12.485 -2.098 619 HH12 ARG 80 2HH1 ARG 80 -0.471 -13.691 -0.856 620 HH21 ARG 80 1HH2 ARG 80 -3.873 -13.451 -0.089 621 HH22 ARG 80 2HH2 ARG 80 -2.377 -14.240 0.284 622 H MET 81 H MET 81 -5.859 -9.924 -1.954 623 HA MET 81 HA MET 81 -6.227 -12.159 -0.182 624 HB2 MET 81 2HB MET 81 -6.128 -10.529 1.627 625 HB3 MET 81 1HB MET 81 -4.804 -10.318 0.501 626 HG2 MET 81 2HG MET 81 -5.540 -8.166 1.112 627 HG3 MET 81 1HG MET 81 -6.092 -8.440 -0.537 628 HE1 MET 81 3HE MET 81 -8.017 -7.290 3.138 629 HE2 MET 81 1HE MET 81 -8.082 -6.118 1.821 630 HE3 MET 81 2HE MET 81 -6.545 -6.858 2.270 631 H ALA 82 H ALA 82 -8.322 -10.100 -1.880 632 HA ALA 82 HA ALA 82 -10.585 -11.075 -0.257 633 HB1 ALA 82 3HB ALA 82 -10.022 -8.282 -1.171 634 HB2 ALA 82 1HB ALA 82 -10.569 -8.859 0.404 635 HB3 ALA 82 2HB ALA 82 -11.686 -8.827 -0.961 636 H ASN 83 H ASN 83 -11.021 -12.714 -1.735 637 HA ASN 83 HA ASN 83 -11.411 -12.095 -4.531 638 HB2 ASN 83 2HB ASN 83 -11.167 -14.504 -2.897 639 HB3 ASN 83 1HB ASN 83 -12.422 -14.642 -4.124 640 HD21 ASN 83 1HD2 ASN 83 -11.586 -13.511 -6.280 641 HD22 ASN 83 2HD2 ASN 83 -10.065 -14.123 -6.823 642 H SER 84 H SER 84 -13.183 -11.025 -5.109 643 HA SER 84 HA SER 84 -15.746 -12.082 -4.939 644 HG SER 84 HG SER 84 -17.672 -10.752 -2.742 645 HB2 SER 84 2HB SER 84 -15.792 -11.650 -2.587 646 HB3 SER 84 1HB SER 84 -15.138 -10.027 -2.807 647 H GLU 85 H GLU 85 -13.817 -9.140 -5.041 648 HA GLU 85 HA GLU 85 -15.092 -8.339 -7.500 649 HB2 GLU 85 2HB GLU 85 -15.867 -6.181 -6.745 650 HB3 GLU 85 1HB GLU 85 -16.613 -7.426 -5.754 651 HG2 GLU 85 2HG GLU 85 -15.022 -6.983 -3.969 652 HG3 GLU 85 1HG GLU 85 -14.229 -5.763 -4.964 653 H SER 86 H SER 86 -14.103 -6.171 -8.258 654 HA SER 86 HA SER 86 -11.245 -6.428 -8.004 655 HG SER 86 HG SER 86 -10.982 -3.526 -9.200 656 HB2 SER 86 2HB SER 86 -12.136 -5.917 -10.192 657 HB3 SER 86 1HB SER 86 -12.973 -4.495 -9.568 658 H LEU 87 H LEU 87 -11.416 -5.997 -5.654 659 HA LEU 87 HA LEU 87 -11.627 -4.564 -3.807 660 HG LEU 87 HG LEU 87 -8.128 -4.735 -3.221 661 HB2 LEU 87 2HB LEU 87 -9.142 -4.456 -5.229 662 HB3 LEU 87 1HB LEU 87 -9.461 -2.887 -4.516 663 HD11 LEU 87 1HD1 LEU 87 -9.195 -3.724 -1.079 664 HD12 LEU 87 2HD1 LEU 87 -10.106 -2.734 -2.220 665 HD13 LEU 87 3HD1 LEU 87 -8.342 -2.671 -2.209 666 HD21 LEU 87 3HD2 LEU 87 -9.492 -5.982 -1.652 667 HD22 LEU 87 1HD2 LEU 87 -9.892 -6.440 -3.305 668 HD23 LEU 87 2HD2 LEU 87 -10.960 -5.367 -2.402 669 H GLU 88 H GLU 88 -13.170 -3.113 -3.456 670 HA GLU 88 HA GLU 88 -13.536 -0.840 -5.181 671 HB2 GLU 88 2HB GLU 88 -15.411 -1.912 -3.919 672 HB3 GLU 88 1HB GLU 88 -14.673 -1.361 -2.421 673 HG2 GLU 88 2HG GLU 88 -14.999 0.939 -3.055 674 HG3 GLU 88 1HG GLU 88 -15.613 0.451 -4.633 675 H ILE 89 H ILE 89 -11.726 0.443 -5.175 676 HA ILE 89 HA ILE 89 -10.984 1.577 -2.573 677 HB ILE 89 HB ILE 89 -8.660 1.566 -3.081 678 HG12 ILE 89 2HG1 ILE 89 -9.135 1.970 -5.642 679 HG13 ILE 89 1HG1 ILE 89 -7.657 1.182 -5.126 680 HG21 ILE 89 1HG2 ILE 89 -9.058 -0.489 -2.194 681 HG22 ILE 89 2HG2 ILE 89 -8.347 -0.944 -3.740 682 HG23 ILE 89 3HG2 ILE 89 -10.095 -0.992 -3.528 683 HD11 ILE 89 3HD1 ILE 89 -8.585 0.039 -7.022 684 HD12 ILE 89 1HD1 ILE 89 -10.123 -0.167 -6.188 685 HD13 ILE 89 2HD1 ILE 89 -8.683 -1.000 -5.600 686 H ALA 90 H ALA 90 -11.063 3.796 -2.491 687 HA ALA 90 HA ALA 90 -11.369 5.172 -5.064 688 HB1 ALA 90 3HB ALA 90 -13.045 5.520 -3.168 689 HB2 ALA 90 1HB ALA 90 -12.380 6.967 -3.924 690 HB3 ALA 90 2HB ALA 90 -11.769 6.435 -2.359 691 H TRP 91 H TRP 91 -9.535 5.818 -5.906 692 HA TRP 91 HA TRP 91 -7.311 6.579 -4.181 693 HD1 TRP 91 HD TRP 91 -8.818 4.497 -7.746 694 HE1 TRP 91 1HE TRP 91 -9.351 5.425 -10.087 695 HE3 TRP 91 3HE TRP 91 -5.864 8.669 -7.656 696 HZ2 TRP 91 2HZ TRP 91 -8.616 7.634 -11.684 697 HZ3 TRP 91 3HZ TRP 91 -5.835 10.137 -9.631 698 HH2 TRP 91 HH TRP 91 -7.183 9.628 -11.603 699 HB2 TRP 91 2HB TRP 91 -5.967 6.548 -6.237 700 HB3 TRP 91 1HB TRP 91 -6.842 5.035 -6.019 701 H GLN 92 H GLN 92 -6.606 8.595 -3.907 702 HA GLN 92 HA GLN 92 -8.151 10.753 -5.098 703 HB2 GLN 92 2HB GLN 92 -5.993 10.778 -2.980 704 HB3 GLN 92 1HB GLN 92 -6.889 12.194 -3.513 705 HG2 GLN 92 2HG GLN 92 -8.970 11.159 -2.740 706 HG3 GLN 92 1HG GLN 92 -8.055 9.759 -2.182 707 HE21 GLN 92 1HE2 GLN 92 -9.633 11.122 -0.441 708 HE22 GLN 92 2HE2 GLN 92 -8.659 11.985 0.695 709 HA PRO 93 HA PRO 93 -5.449 12.136 -8.270 710 HB2 PRO 93 2HB PRO 93 -5.240 14.704 -6.779 711 HB3 PRO 93 1HB PRO 93 -5.626 14.423 -8.480 712 HG2 PRO 93 2HG PRO 93 -7.544 15.041 -6.733 713 HG3 PRO 93 1HG PRO 93 -7.829 13.861 -8.027 714 HD2 PRO 93 2HD PRO 93 -7.419 13.418 -5.115 715 HD3 PRO 93 1HD PRO 93 -8.381 12.484 -6.278 716 H ALA 94 H ALA 94 -4.470 13.082 -4.989 717 HA ALA 94 HA ALA 94 -2.456 12.479 -3.955 718 HB1 ALA 94 3HB ALA 94 -0.646 11.563 -5.043 719 HB2 ALA 94 1HB ALA 94 -0.934 12.490 -6.513 720 HB3 ALA 94 2HB ALA 94 -1.951 11.101 -6.139 721 H GLU 95 H GLU 95 -3.455 14.933 -4.015 722 HA GLU 95 HA GLU 95 -2.944 17.135 -3.764 723 HB2 GLU 95 2HB GLU 95 -0.863 15.814 -2.693 724 HB3 GLU 95 1HB GLU 95 -0.020 16.674 -3.974 725 HG2 GLU 95 2HG GLU 95 -0.149 18.621 -2.905 726 HG3 GLU 95 1HG GLU 95 -1.841 18.375 -2.475 727 H SER 96 H SER 96 -3.469 18.353 -5.455 728 HA SER 96 HA SER 96 -1.579 18.485 -7.708 729 HG SER 96 HG SER 96 -5.055 18.602 -6.985 730 HB2 SER 96 2HB SER 96 -3.870 19.089 -8.974 731 HB3 SER 96 1HB SER 96 -3.263 17.438 -8.848 Start of MODEL 16 1 HA MET 1 HA MET 1 6.869 13.267 -5.224 2 HB2 MET 1 2HB MET 1 7.503 13.573 -2.909 3 HB3 MET 1 1HB MET 1 8.804 14.102 -3.972 4 HG2 MET 1 2HG MET 1 6.975 16.247 -3.239 5 HG3 MET 1 1HG MET 1 7.770 15.505 -1.854 6 HE1 MET 1 3HE MET 1 10.436 18.100 -1.782 7 HE2 MET 1 1HE MET 1 9.547 16.846 -0.916 8 HE3 MET 1 2HE MET 1 8.683 18.208 -1.627 9 H PHE 2 H PHE 2 4.781 13.334 -5.811 10 HA PHE 2 HA PHE 2 2.928 15.076 -4.361 11 HD1 PHE 2 1HD PHE 2 3.453 16.448 -6.736 12 HD2 PHE 2 2HD PHE 2 2.859 12.528 -8.286 13 HE1 PHE 2 1HE PHE 2 4.743 17.049 -8.743 14 HE2 PHE 2 2HE PHE 2 4.138 13.125 -10.293 15 HZ PHE 2 HZ PHE 2 5.089 15.385 -10.526 16 HB2 PHE 2 2HB PHE 2 1.871 13.096 -6.300 17 HB3 PHE 2 1HB PHE 2 1.446 14.788 -6.085 18 H ARG 3 H ARG 3 0.790 13.860 -3.617 19 HA ARG 3 HA ARG 3 1.390 11.149 -2.775 20 HE ARG 3 HE ARG 3 4.424 12.733 1.145 21 HB2 ARG 3 2HB ARG 3 1.966 13.242 -1.016 22 HB3 ARG 3 1HB ARG 3 0.453 12.557 -0.431 23 HG2 ARG 3 2HG ARG 3 1.734 11.066 0.603 24 HG3 ARG 3 1HG ARG 3 1.930 10.332 -0.979 25 HD2 ARG 3 2HD ARG 3 4.115 10.610 -0.658 26 HD3 ARG 3 1HD ARG 3 3.824 12.311 -1.001 27 HH11 ARG 3 1HH1 ARG 3 3.091 9.506 1.036 28 HH12 ARG 3 2HH1 ARG 3 3.324 9.222 2.728 29 HH21 ARG 3 1HH2 ARG 3 4.731 12.355 3.367 30 HH22 ARG 3 2HH2 ARG 3 4.255 10.837 4.050 31 H SER 4 H SER 4 -0.315 9.910 -2.889 32 HA SER 4 HA SER 4 -3.019 11.063 -2.755 33 HG SER 4 HG SER 4 -4.517 8.845 -4.102 34 HB2 SER 4 2HB SER 4 -3.062 10.245 -4.907 35 HB3 SER 4 1HB SER 4 -1.759 9.096 -4.604 36 H THR 5 H THR 5 -4.686 9.480 -1.953 37 HA THR 5 HA THR 5 -3.572 7.354 -0.314 38 HB THR 5 HB THR 5 -4.552 8.077 1.751 39 HG1 THR 5 1HG THR 5 -5.841 9.847 1.910 40 HG21 THR 5 3HG2 THR 5 -3.430 10.683 0.856 41 HG22 THR 5 1HG2 THR 5 -2.374 9.271 0.920 42 HG23 THR 5 2HG2 THR 5 -3.211 9.813 2.372 43 H SER 6 H SER 6 -4.747 5.582 -0.400 44 HA SER 6 HA SER 6 -7.555 5.813 -1.274 45 HG SER 6 HG SER 6 -8.111 3.115 -1.430 46 HB2 SER 6 2HB SER 6 -6.024 4.501 -2.751 47 HB3 SER 6 1HB SER 6 -5.749 3.385 -1.415 48 H HIS 7 H HIS 7 -9.170 5.126 0.037 49 HA HIS 7 HA HIS 7 -8.390 3.750 2.529 50 HD1 HIS 7 1HD HIS 7 -11.088 7.152 1.001 51 HD2 HIS 7 2HD HIS 7 -12.567 3.942 3.191 52 HE1 HIS 7 1HE HIS 7 -13.560 7.113 0.550 53 HE2 HIS 7 2HE HIS 7 -14.403 5.074 1.763 54 HB2 HIS 7 2HB HIS 7 -9.940 4.980 3.740 55 HB3 HIS 7 1HB HIS 7 -9.375 6.167 2.570 56 H VAL 8 H VAL 8 -9.295 1.820 2.993 57 HA VAL 8 HA VAL 8 -11.781 1.041 1.646 58 HB VAL 8 HB VAL 8 -9.548 -0.955 1.803 59 HG11 VAL 8 1HG1 VAL 8 -10.752 -2.082 0.077 60 HG12 VAL 8 2HG1 VAL 8 -11.823 -0.701 -0.156 61 HG13 VAL 8 3HG1 VAL 8 -11.903 -1.638 1.338 62 HG21 VAL 8 3HG2 VAL 8 -8.712 1.062 0.580 63 HG22 VAL 8 1HG2 VAL 8 -10.009 0.816 -0.590 64 HG23 VAL 8 2HG2 VAL 8 -8.762 -0.414 -0.383 65 H ARG 9 H ARG 9 -12.931 -0.692 2.725 66 HA ARG 9 HA ARG 9 -12.136 -0.914 5.545 67 HE ARG 9 HE ARG 9 -14.847 2.492 6.897 68 HB2 ARG 9 2HB ARG 9 -14.771 -0.957 4.167 69 HB3 ARG 9 1HB ARG 9 -14.594 -1.961 5.597 70 HG2 ARG 9 2HG ARG 9 -15.481 0.141 6.272 71 HG3 ARG 9 1HG ARG 9 -13.812 0.047 6.837 72 HD2 ARG 9 2HD ARG 9 -13.054 1.526 5.174 73 HD3 ARG 9 1HD ARG 9 -14.547 1.371 4.246 74 HH11 ARG 9 1HH1 ARG 9 -14.371 3.151 3.500 75 HH12 ARG 9 2HH1 ARG 9 -14.970 4.772 3.607 76 HH21 ARG 9 1HH2 ARG 9 -15.633 4.622 7.033 77 HH22 ARG 9 2HH2 ARG 9 -15.685 5.608 5.609 78 H THR 10 H THR 10 -10.861 -2.633 5.842 79 HA THR 10 HA THR 10 -11.768 -5.229 4.792 80 HB THR 10 HB THR 10 -9.520 -3.879 3.917 81 HG1 THR 10 1HG THR 10 -10.107 -6.650 3.879 82 HG21 THR 10 3HG2 THR 10 -7.612 -4.716 4.770 83 HG22 THR 10 1HG2 THR 10 -8.370 -6.229 5.274 84 HG23 THR 10 2HG2 THR 10 -8.595 -4.767 6.243 85 H GLU 11 H GLU 11 -11.032 -7.116 6.004 86 HA GLU 11 HA GLU 11 -10.652 -6.480 8.854 87 HB2 GLU 11 2HB GLU 11 -12.386 -8.269 7.486 88 HB3 GLU 11 1HB GLU 11 -11.280 -9.233 8.454 89 HG2 GLU 11 2HG GLU 11 -12.343 -8.707 10.319 90 HG3 GLU 11 1HG GLU 11 -12.237 -6.986 9.957 91 H SER 12 H SER 12 -9.047 -7.523 10.094 92 HA SER 12 HA SER 12 -7.015 -8.425 10.527 93 HG SER 12 HG SER 12 -5.905 -10.872 8.273 94 HB2 SER 12 2HB SER 12 -7.979 -10.535 10.035 95 HB3 SER 12 1HB SER 12 -7.917 -10.246 8.297 96 H ALA 13 H ALA 13 -7.291 -6.249 8.594 97 HA ALA 13 HA ALA 13 -5.631 -6.337 6.393 98 HB1 ALA 13 3HB ALA 13 -5.820 -4.047 8.301 99 HB2 ALA 13 1HB ALA 13 -7.028 -4.412 7.079 100 HB3 ALA 13 2HB ALA 13 -5.394 -3.962 6.599 101 H ALA 14 H ALA 14 -4.616 -5.478 9.690 102 HA ALA 14 HA ALA 14 -2.015 -4.792 9.292 103 HB1 ALA 14 3HB ALA 14 -1.564 -5.675 11.576 104 HB2 ALA 14 1HB ALA 14 -3.183 -6.375 11.557 105 HB3 ALA 14 2HB ALA 14 -2.976 -4.627 11.434 106 H ARG 15 H ARG 15 -3.246 -7.998 8.844 107 HA ARG 15 HA ARG 15 -0.676 -9.295 9.052 108 HE ARG 15 HE ARG 15 0.662 -13.590 8.284 109 HB2 ARG 15 2HB ARG 15 -2.950 -10.334 9.523 110 HB3 ARG 15 1HB ARG 15 -3.194 -10.357 7.789 111 HG2 ARG 15 2HG ARG 15 -1.989 -12.311 9.399 112 HG3 ARG 15 1HG ARG 15 -2.170 -12.309 7.651 113 HD2 ARG 15 2HD ARG 15 0.008 -11.625 7.293 114 HD3 ARG 15 1HD ARG 15 0.123 -10.828 8.862 115 HH11 ARG 15 1HH1 ARG 15 -0.198 -11.297 10.770 116 HH12 ARG 15 2HH1 ARG 15 0.411 -12.279 12.060 117 HH21 ARG 15 1HH2 ARG 15 1.462 -14.883 9.980 118 HH22 ARG 15 2HH2 ARG 15 1.354 -14.314 11.613 119 H TYR 16 H TYR 16 -2.712 -8.075 6.454 120 HA TYR 16 HA TYR 16 -1.119 -9.271 4.398 121 HD1 TYR 16 2HD TYR 16 -2.794 -10.617 4.608 122 HD2 TYR 16 1HD TYR 16 -5.322 -7.409 3.408 123 HE1 TYR 16 2HE TYR 16 -4.744 -12.074 4.837 124 HE2 TYR 16 1HE TYR 16 -7.281 -8.867 3.645 125 HH TYR 16 HH TYR 16 -7.123 -11.935 5.159 126 HB2 TYR 16 2HB TYR 16 -3.049 -6.959 4.136 127 HB3 TYR 16 1HB TYR 16 -2.415 -7.945 2.827 128 H VAL 17 H VAL 17 -0.817 -6.386 6.288 129 HA VAL 17 HA VAL 17 0.979 -5.134 4.381 130 HB VAL 17 HB VAL 17 0.034 -4.348 7.123 131 HG11 VAL 17 1HG1 VAL 17 1.538 -2.216 6.301 132 HG12 VAL 17 2HG1 VAL 17 2.557 -3.581 5.853 133 HG13 VAL 17 3HG1 VAL 17 2.026 -3.388 7.525 134 HG21 VAL 17 3HG2 VAL 17 -1.369 -3.796 5.191 135 HG22 VAL 17 1HG2 VAL 17 -0.019 -2.906 4.484 136 HG23 VAL 17 2HG2 VAL 17 -0.737 -2.355 5.997 137 H ASN 18 H ASN 18 1.235 -6.724 7.546 138 HA ASN 18 HA ASN 18 4.014 -6.349 7.812 139 HB2 ASN 18 2HB ASN 18 2.180 -8.348 9.138 140 HB3 ASN 18 1HB ASN 18 3.838 -8.020 9.634 141 HD21 ASN 18 1HD2 ASN 18 1.543 -7.732 11.255 142 HD22 ASN 18 2HD2 ASN 18 1.401 -6.063 11.678 143 H ARG 19 H ARG 19 2.127 -8.934 6.312 144 HA ARG 19 HA ARG 19 4.435 -10.666 6.170 145 HE ARG 19 HE ARG 19 4.834 -11.869 7.692 146 HB2 ARG 19 2HB ARG 19 1.609 -10.910 5.709 147 HB3 ARG 19 1HB ARG 19 2.500 -11.596 4.357 148 HG2 ARG 19 2HG ARG 19 2.074 -13.316 5.968 149 HG3 ARG 19 1HG ARG 19 3.798 -12.959 5.955 150 HD2 ARG 19 2HD ARG 19 1.967 -11.626 7.908 151 HD3 ARG 19 1HD ARG 19 2.599 -13.239 8.224 152 HH11 ARG 19 1HH1 ARG 19 2.122 -11.142 9.769 153 HH12 ARG 19 2HH1 ARG 19 3.067 -10.231 10.896 154 HH21 ARG 19 1HH2 ARG 19 6.078 -10.668 9.186 155 HH22 ARG 19 2HH2 ARG 19 5.309 -9.962 10.565 156 H LEU 20 H LEU 20 3.248 -8.129 4.201 157 HA LEU 20 HA LEU 20 4.207 -9.034 1.693 158 HG LEU 20 HG LEU 20 1.697 -7.192 2.704 159 HB2 LEU 20 2HB LEU 20 3.831 -6.215 2.684 160 HB3 LEU 20 1HB LEU 20 4.117 -6.659 1.014 161 HD11 LEU 20 1HD1 LEU 20 0.544 -5.919 1.055 162 HD12 LEU 20 2HD1 LEU 20 1.937 -5.945 -0.027 163 HD13 LEU 20 3HD1 LEU 20 2.003 -5.017 1.471 164 HD21 LEU 20 3HD2 LEU 20 2.440 -8.482 0.078 165 HD22 LEU 20 1HD2 LEU 20 0.784 -8.378 0.671 166 HD23 LEU 20 2HD2 LEU 20 1.993 -9.270 1.592 167 H CYS 21 H CYS 21 5.716 -6.902 4.123 168 HA CYS 21 HA CYS 21 8.015 -6.200 2.807 169 HG CYS 21 HG CYS 21 8.387 -7.363 6.944 170 HB2 CYS 21 2HB CYS 21 9.108 -6.060 5.015 171 HB3 CYS 21 1HB CYS 21 7.485 -5.379 5.051 172 H LYS 22 H LYS 22 7.378 -9.210 4.523 173 HA LYS 22 HA LYS 22 9.988 -10.287 3.989 174 HB2 LYS 22 2HB LYS 22 7.479 -11.628 5.010 175 HB3 LYS 22 1HB LYS 22 9.082 -12.350 4.988 176 HG2 LYS 22 2HG LYS 22 9.733 -11.261 6.838 177 HG3 LYS 22 1HG LYS 22 8.940 -9.757 6.363 178 HD2 LYS 22 2HD LYS 22 7.842 -10.523 8.317 179 HD3 LYS 22 1HD LYS 22 6.755 -10.846 6.966 180 HE2 LYS 22 2HE LYS 22 6.692 -12.794 8.269 181 HE3 LYS 22 1HE LYS 22 7.765 -13.182 6.925 182 HZ1 LYS 22 3HZ LYS 22 9.522 -12.270 8.688 183 HZ2 LYS 22 1HZ LYS 22 9.074 -13.899 8.594 184 HZ3 LYS 22 2HZ LYS 22 8.365 -12.892 9.753 185 H HIS 23 H HIS 23 7.013 -10.102 2.331 186 HA HIS 23 HA HIS 23 7.433 -12.426 0.679 187 HD1 HIS 23 1HD HIS 23 3.477 -12.967 0.798 188 HD2 HIS 23 2HD HIS 23 6.279 -12.414 -2.221 189 HE1 HIS 23 1HE HIS 23 2.879 -14.635 -0.986 190 HE2 HIS 23 2HE HIS 23 4.638 -14.339 -2.766 191 HB2 HIS 23 2HB HIS 23 5.182 -11.293 1.421 192 HB3 HIS 23 1HB HIS 23 5.453 -10.292 -0.001 193 H TRP 24 H TRP 24 7.186 -8.907 -0.053 194 HA TRP 24 HA TRP 24 8.441 -9.387 -2.626 195 HD1 TRP 24 HD TRP 24 5.166 -8.545 -0.980 196 HE1 TRP 24 1HE TRP 24 3.218 -8.887 -2.627 197 HE3 TRP 24 3HE TRP 24 7.433 -6.928 -5.269 198 HZ2 TRP 24 2HZ TRP 24 2.709 -8.520 -5.379 199 HZ3 TRP 24 3HZ TRP 24 6.146 -6.957 -7.365 200 HH2 TRP 24 HH TRP 24 3.833 -7.736 -7.418 201 HB2 TRP 24 2HB TRP 24 7.423 -6.861 -1.317 202 HB3 TRP 24 1HB TRP 24 8.107 -6.933 -2.939 203 H GLY 25 H GLY 25 9.514 -8.677 0.538 204 HA2 GLY 25 2HA GLY 25 11.713 -6.990 -0.060 205 HA3 GLY 25 1HA GLY 25 11.526 -7.970 1.382 206 H HIS 26 H HIS 26 12.283 -8.315 -2.077 207 HA HIS 26 HA HIS 26 14.162 -10.461 -1.348 208 HD1 HIS 26 1HD HIS 26 12.861 -12.829 -4.920 209 HD2 HIS 26 2HD HIS 26 13.369 -12.332 -0.826 210 HE1 HIS 26 1HE HIS 26 12.835 -15.150 -3.953 211 HE2 HIS 26 2HE HIS 26 13.233 -14.829 -1.487 212 HB2 HIS 26 2HB HIS 26 12.182 -10.255 -3.425 213 HB3 HIS 26 1HB HIS 26 13.775 -10.449 -4.148 214 H LYS 27 H LYS 27 13.761 -7.432 -3.058 215 HA LYS 27 HA LYS 27 16.662 -7.101 -3.101 216 HB2 LYS 27 2HB LYS 27 16.309 -8.087 -5.253 217 HB3 LYS 27 1HB LYS 27 14.913 -7.071 -5.565 218 HG2 LYS 27 2HG LYS 27 17.362 -5.552 -5.098 219 HG3 LYS 27 1HG LYS 27 17.452 -6.639 -6.485 220 HD2 LYS 27 2HD LYS 27 16.045 -5.390 -7.693 221 HD3 LYS 27 1HD LYS 27 14.929 -5.196 -6.343 222 HE2 LYS 27 2HE LYS 27 15.800 -3.211 -5.736 223 HE3 LYS 27 1HE LYS 27 17.451 -3.697 -6.117 224 HZ1 LYS 27 3HZ LYS 27 15.400 -2.552 -7.887 225 HZ2 LYS 27 1HZ LYS 27 16.614 -3.530 -8.545 226 HZ3 LYS 27 2HZ LYS 27 17.025 -2.118 -7.712 227 H PHE 28 H PHE 28 14.156 -5.935 -1.817 228 HA PHE 28 HA PHE 28 14.865 -3.150 -2.314 229 HD1 PHE 28 1HD PHE 28 13.466 -1.125 -3.727 230 HD2 PHE 28 2HD PHE 28 12.334 -5.107 -4.715 231 HE1 PHE 28 1HE PHE 28 13.650 -0.580 -6.120 232 HE2 PHE 28 2HE PHE 28 12.517 -4.569 -7.110 233 HZ PHE 28 HZ PHE 28 13.175 -2.303 -7.815 234 HB2 PHE 28 2HB PHE 28 12.107 -4.324 -2.500 235 HB3 PHE 28 1HB PHE 28 12.349 -2.628 -2.096 236 H GLU 29 H GLU 29 14.256 -1.697 -0.609 237 HA GLU 29 HA GLU 29 14.613 -2.908 1.972 238 HB2 GLU 29 2HB GLU 29 14.290 -0.479 2.751 239 HB3 GLU 29 1HB GLU 29 15.697 -0.842 1.760 240 HG2 GLU 29 2HG GLU 29 13.325 -0.042 0.250 241 HG3 GLU 29 1HG GLU 29 13.965 1.193 1.332 242 H VAL 30 H VAL 30 13.029 -3.768 3.112 243 HA VAL 30 HA VAL 30 10.346 -2.583 2.895 244 HB VAL 30 HB VAL 30 9.721 -5.122 3.523 245 HG11 VAL 30 1HG1 VAL 30 8.588 -4.136 1.748 246 HG12 VAL 30 2HG1 VAL 30 9.446 -5.476 0.994 247 HG13 VAL 30 3HG1 VAL 30 10.072 -3.835 0.841 248 HG21 VAL 30 3HG2 VAL 30 11.095 -6.733 2.639 249 HG22 VAL 30 1HG2 VAL 30 12.281 -5.577 3.241 250 HG23 VAL 30 2HG2 VAL 30 11.880 -5.611 1.523 251 H GLU 31 H GLU 31 9.768 -1.702 4.776 252 HA GLU 31 HA GLU 31 10.878 -2.726 7.273 253 HB2 GLU 31 2HB GLU 31 10.365 -0.168 6.380 254 HB3 GLU 31 1HB GLU 31 9.004 -0.478 7.450 255 HG2 GLU 31 2HG GLU 31 10.435 -0.879 9.295 256 HG3 GLU 31 1HG GLU 31 11.863 -0.910 8.262 257 H LEU 32 H LEU 32 9.453 -3.132 9.119 258 HA LEU 32 HA LEU 32 6.682 -3.771 8.404 259 HG LEU 32 HG LEU 32 5.932 -6.379 8.304 260 HB2 LEU 32 2HB LEU 32 8.228 -5.754 8.124 261 HB3 LEU 32 1HB LEU 32 8.439 -5.733 9.859 262 HD11 LEU 32 1HD1 LEU 32 6.728 -8.433 8.601 263 HD12 LEU 32 2HD1 LEU 32 6.370 -8.231 10.315 264 HD13 LEU 32 3HD1 LEU 32 7.985 -7.871 9.703 265 HD21 LEU 32 3HD2 LEU 32 6.230 -5.690 11.224 266 HD22 LEU 32 1HD2 LEU 32 4.888 -6.647 10.598 267 HD23 LEU 32 2HD2 LEU 32 5.121 -4.987 10.049 268 H THR 33 H THR 33 5.536 -2.585 9.766 269 HA THR 33 HA THR 33 6.176 -2.783 12.656 270 HB THR 33 HB THR 33 4.991 -0.399 12.624 271 HG1 THR 33 1HG THR 33 4.664 -0.173 10.459 272 HG21 THR 33 3HG2 THR 33 7.114 -0.502 13.583 273 HG22 THR 33 1HG2 THR 33 7.269 0.677 12.281 274 HG23 THR 33 2HG2 THR 33 7.876 -0.964 12.060 275 HA PRO 34 HA PRO 34 1.950 -4.061 12.929 276 HB2 PRO 34 2HB PRO 34 1.293 -3.270 15.434 277 HB3 PRO 34 1HB PRO 34 2.359 -4.634 15.102 278 HG2 PRO 34 2HG PRO 34 3.049 -1.853 15.930 279 HG3 PRO 34 1HG PRO 34 3.785 -3.385 16.429 280 HD2 PRO 34 2HD PRO 34 4.865 -1.699 14.551 281 HD3 PRO 34 1HD PRO 34 5.173 -3.446 14.609 282 H GLU 35 H GLU 35 2.095 -1.892 11.414 283 HA GLU 35 HA GLU 35 -0.364 -0.532 11.905 284 HB2 GLU 35 2HB GLU 35 2.241 0.997 12.053 285 HB3 GLU 35 1HB GLU 35 0.665 1.756 11.857 286 HG2 GLU 35 2HG GLU 35 0.025 0.555 14.019 287 HG3 GLU 35 1HG GLU 35 1.755 0.274 14.220 288 H ARG 36 H ARG 36 2.622 -0.809 10.019 289 HA ARG 36 HA ARG 36 1.211 -0.846 7.575 290 HE ARG 36 HE ARG 36 4.152 4.708 7.540 291 HB2 ARG 36 2HB ARG 36 2.369 1.230 6.648 292 HB3 ARG 36 1HB ARG 36 1.007 1.503 7.718 293 HG2 ARG 36 2HG ARG 36 2.687 1.759 9.588 294 HG3 ARG 36 1HG ARG 36 3.931 1.780 8.336 295 HD2 ARG 36 2HD ARG 36 2.173 3.611 7.369 296 HD3 ARG 36 1HD ARG 36 1.987 3.839 9.107 297 HH11 ARG 36 1HH1 ARG 36 3.477 3.243 10.634 298 HH12 ARG 36 2HH1 ARG 36 4.901 3.882 11.386 299 HH21 ARG 36 1HH2 ARG 36 6.023 5.549 8.527 300 HH22 ARG 36 2HH2 ARG 36 6.345 5.191 10.192 301 H GLY 37 H GLY 37 2.691 -0.724 5.679 302 HA2 GLY 37 2HA GLY 37 5.296 -1.944 6.358 303 HA3 GLY 37 1HA GLY 37 4.349 -2.375 4.933 304 H PHE 38 H PHE 38 7.118 -1.255 5.086 305 HA PHE 38 HA PHE 38 6.625 1.152 3.445 306 HD1 PHE 38 1HD PHE 38 7.293 3.557 3.635 307 HD2 PHE 38 2HD PHE 38 10.858 1.580 4.869 308 HE1 PHE 38 1HE PHE 38 8.631 5.393 2.707 309 HE2 PHE 38 2HE PHE 38 12.201 3.404 3.920 310 HZ PHE 38 HZ PHE 38 11.089 5.315 2.835 311 HB2 PHE 38 2HB PHE 38 7.478 1.792 5.641 312 HB3 PHE 38 1HB PHE 38 8.827 0.681 5.468 313 H ILE 39 H ILE 39 7.216 0.791 1.437 314 HA ILE 39 HA ILE 39 9.670 -0.787 0.945 315 HB ILE 39 HB ILE 39 7.357 -0.952 -0.967 316 HG12 ILE 39 2HG1 ILE 39 7.725 -2.523 1.578 317 HG13 ILE 39 1HG1 ILE 39 6.254 -1.817 0.922 318 HG21 ILE 39 1HG2 ILE 39 9.986 -1.840 -1.008 319 HG22 ILE 39 2HG2 ILE 39 8.689 -2.335 -2.094 320 HG23 ILE 39 3HG2 ILE 39 9.043 -3.288 -0.654 321 HD11 ILE 39 3HD1 ILE 39 6.278 -4.268 0.834 322 HD12 ILE 39 1HD1 ILE 39 7.676 -4.202 -0.238 323 HD13 ILE 39 2HD1 ILE 39 6.130 -3.533 -0.761 324 H ASP 40 H ASP 40 11.018 0.861 0.296 325 HA ASP 40 HA ASP 40 9.959 2.738 -1.695 326 HB2 ASP 40 2HB ASP 40 12.119 4.032 -1.078 327 HB3 ASP 40 1HB ASP 40 10.762 4.052 0.038 328 H PHE 41 H PHE 41 10.725 2.829 -3.658 329 HA PHE 41 HA PHE 41 12.822 0.926 -4.435 330 HD1 PHE 41 1HD PHE 41 10.996 -0.227 -3.876 331 HD2 PHE 41 2HD PHE 41 10.267 0.425 -8.023 332 HE1 PHE 41 1HE PHE 41 9.889 -2.411 -4.021 333 HE2 PHE 41 2HE PHE 41 9.158 -1.766 -8.170 334 HZ PHE 41 HZ PHE 41 8.967 -3.185 -6.168 335 HB2 PHE 41 2HB PHE 41 10.612 2.353 -5.887 336 HB3 PHE 41 1HB PHE 41 11.977 1.716 -6.787 337 H GLY 42 H GLY 42 12.945 3.874 -3.300 338 HA2 GLY 42 2HA GLY 42 14.986 5.134 -3.457 339 HA3 GLY 42 1HA GLY 42 15.064 4.721 -5.165 340 H ASP 43 H ASP 43 13.789 5.857 -6.649 341 HA ASP 43 HA ASP 43 12.936 8.488 -5.728 342 HB2 ASP 43 2HB ASP 43 14.233 7.707 -7.994 343 HB3 ASP 43 1HB ASP 43 12.571 7.761 -8.574 344 H SER 44 H SER 44 11.362 6.719 -4.611 345 HA SER 44 HA SER 44 8.777 7.378 -5.070 346 HG SER 44 HG SER 44 9.529 4.356 -7.686 347 HB2 SER 44 2HB SER 44 8.042 5.134 -6.272 348 HB3 SER 44 1HB SER 44 8.572 6.520 -7.229 349 H ASN 45 H ASN 45 7.271 6.032 -3.779 350 HA ASN 45 HA ASN 45 8.445 3.798 -2.340 351 HB2 ASN 45 2HB ASN 45 7.314 6.024 -0.666 352 HB3 ASN 45 1HB ASN 45 8.383 4.713 -0.180 353 HD21 ASN 45 1HD2 ASN 45 8.321 7.536 -2.333 354 HD22 ASN 45 2HD2 ASN 45 9.953 8.010 -2.035 355 H CYS 46 H CYS 46 6.791 2.827 -0.781 356 HA CYS 46 HA CYS 46 4.038 3.517 -1.390 357 HG CYS 46 HG CYS 46 2.518 0.423 -2.420 358 HB2 CYS 46 2HB CYS 46 4.976 1.872 -3.147 359 HB3 CYS 46 1HB CYS 46 4.876 0.675 -1.861 360 H GLU 47 H GLU 47 3.448 3.813 0.675 361 HA GLU 47 HA GLU 47 4.116 1.763 2.660 362 HB2 GLU 47 2HB GLU 47 4.432 4.413 2.836 363 HB3 GLU 47 1HB GLU 47 2.772 4.323 3.398 364 HG2 GLU 47 2HG GLU 47 3.344 3.310 5.356 365 HG3 GLU 47 1HG GLU 47 4.763 2.520 4.673 366 H LEU 48 H LEU 48 2.420 0.932 4.062 367 HA LEU 48 HA LEU 48 -0.298 1.472 3.146 368 HG LEU 48 HG LEU 48 1.581 -1.819 3.918 369 HB2 LEU 48 2HB LEU 48 -0.698 -1.093 3.343 370 HB3 LEU 48 1HB LEU 48 -0.110 -0.393 1.848 371 HD11 LEU 48 1HD1 LEU 48 1.006 -3.698 2.905 372 HD12 LEU 48 2HD1 LEU 48 1.631 -3.070 1.382 373 HD13 LEU 48 3HD1 LEU 48 -0.058 -2.813 1.813 374 HD21 LEU 48 3HD2 LEU 48 3.085 -1.729 1.678 375 HD22 LEU 48 1HD2 LEU 48 3.199 -0.549 2.982 376 HD23 LEU 48 2HD2 LEU 48 2.241 -0.186 1.549 377 H LEU 49 H LEU 49 -1.600 1.827 4.755 378 HA LEU 49 HA LEU 49 -0.785 1.021 7.460 379 HG LEU 49 HG LEU 49 -2.170 1.806 9.246 380 HB2 LEU 49 2HB LEU 49 -1.743 3.354 6.793 381 HB3 LEU 49 1HB LEU 49 -3.292 2.531 6.837 382 HD11 LEU 49 1HD1 LEU 49 -0.862 4.213 8.333 383 HD12 LEU 49 2HD1 LEU 49 -0.549 3.228 9.761 384 HD13 LEU 49 3HD1 LEU 49 -1.769 4.498 9.818 385 HD21 LEU 49 3HD2 LEU 49 -4.470 2.429 8.959 386 HD22 LEU 49 1HD2 LEU 49 -4.022 4.086 8.559 387 HD23 LEU 49 2HD2 LEU 49 -3.762 3.473 10.191 388 H ALA 50 H ALA 50 -1.680 -0.662 8.517 389 HA ALA 50 HA ALA 50 -4.172 -1.751 7.426 390 HB1 ALA 50 3HB ALA 50 -3.005 -4.034 7.900 391 HB2 ALA 50 1HB ALA 50 -1.546 -3.091 7.655 392 HB3 ALA 50 2HB ALA 50 -2.765 -3.186 6.385 393 H HIS 51 H HIS 51 -5.601 -1.614 8.970 394 HA HIS 51 HA HIS 51 -4.864 -2.487 11.653 395 HD1 HIS 51 1HD HIS 51 -7.843 0.225 13.586 396 HD2 HIS 51 2HD HIS 51 -4.018 -1.394 13.388 397 HE1 HIS 51 1HE HIS 51 -6.907 0.420 15.911 398 HE2 HIS 51 2HE HIS 51 -4.628 -0.643 15.785 399 HB2 HIS 51 2HB HIS 51 -5.941 -0.054 10.971 400 HB3 HIS 51 1HB HIS 51 -7.376 -0.974 11.398 401 HA PRO 52 HA PRO 52 -7.342 -6.098 11.618 402 HB2 PRO 52 2HB PRO 52 -8.961 -4.758 13.748 403 HB3 PRO 52 1HB PRO 52 -8.305 -6.398 13.692 404 HG2 PRO 52 2HG PRO 52 -7.101 -4.480 15.100 405 HG3 PRO 52 1HG PRO 52 -6.169 -5.709 14.232 406 HD2 PRO 52 2HD PRO 52 -6.545 -2.839 13.599 407 HD3 PRO 52 1HD PRO 52 -5.210 -3.924 13.173 408 H ASP 53 H ASP 53 -8.976 -2.998 11.241 409 HA ASP 53 HA ASP 53 -11.041 -4.438 9.740 410 HB2 ASP 53 2HB ASP 53 -12.807 -3.038 10.669 411 HB3 ASP 53 1HB ASP 53 -11.955 -3.870 11.967 412 H HIS 54 H HIS 54 -8.733 -2.021 9.627 413 HA HIS 54 HA HIS 54 -9.981 -1.087 7.180 414 HD1 HIS 54 1HD HIS 54 -7.225 1.863 8.729 415 HD2 HIS 54 2HD HIS 54 -10.120 0.594 11.424 416 HE1 HIS 54 1HE HIS 54 -6.355 2.502 10.999 417 HE2 HIS 54 2HE HIS 54 -8.198 1.868 12.594 418 HB2 HIS 54 2HB HIS 54 -9.556 1.297 7.669 419 HB3 HIS 54 1HB HIS 54 -10.754 0.577 8.727 420 H VAL 55 H VAL 55 -8.508 0.042 5.700 421 HA VAL 55 HA VAL 55 -5.681 -0.298 6.330 422 HB VAL 55 HB VAL 55 -6.786 -2.272 4.996 423 HG11 VAL 55 1HG1 VAL 55 -7.610 -0.518 3.255 424 HG12 VAL 55 2HG1 VAL 55 -7.016 -2.087 2.717 425 HG13 VAL 55 3HG1 VAL 55 -5.973 -0.669 2.621 426 HG21 VAL 55 3HG2 VAL 55 -4.651 -2.721 3.906 427 HG22 VAL 55 1HG2 VAL 55 -4.427 -2.118 5.548 428 HG23 VAL 55 2HG2 VAL 55 -4.166 -1.046 4.172 429 H LEU 56 H LEU 56 -4.407 1.246 5.502 430 HA LEU 56 HA LEU 56 -5.645 3.206 3.680 431 HG LEU 56 HG LEU 56 -6.353 4.844 5.625 432 HB2 LEU 56 2HB LEU 56 -4.337 3.583 6.226 433 HB3 LEU 56 1HB LEU 56 -3.428 4.407 4.982 434 HD11 LEU 56 1HD1 LEU 56 -4.558 5.634 7.272 435 HD12 LEU 56 2HD1 LEU 56 -5.752 6.805 6.715 436 HD13 LEU 56 3HD1 LEU 56 -4.129 6.809 6.027 437 HD21 LEU 56 3HD2 LEU 56 -4.592 5.829 3.443 438 HD22 LEU 56 1HD2 LEU 56 -5.707 6.977 4.180 439 HD23 LEU 56 2HD2 LEU 56 -6.326 5.502 3.440 440 H MET 57 H MET 57 -4.443 3.943 1.945 441 HA MET 57 HA MET 57 -1.862 2.601 1.523 442 HB2 MET 57 2HB MET 57 -3.799 3.108 -0.713 443 HB3 MET 57 1HB MET 57 -2.418 2.018 -0.680 444 HG2 MET 57 2HG MET 57 -3.566 0.599 0.955 445 HG3 MET 57 1HG MET 57 -4.956 1.687 0.901 446 HE1 MET 57 3HE MET 57 -6.759 1.723 -0.948 447 HE2 MET 57 1HE MET 57 -6.868 0.320 0.115 448 HE3 MET 57 2HE MET 57 -7.111 0.132 -1.621 449 H ILE 58 H ILE 58 -0.286 4.101 1.454 450 HA ILE 58 HA ILE 58 -0.858 6.615 0.041 451 HB ILE 58 HB ILE 58 0.977 6.311 2.420 452 HG12 ILE 58 2HG1 ILE 58 -1.888 6.587 2.336 453 HG13 ILE 58 1HG1 ILE 58 -0.840 6.423 3.729 454 HG21 ILE 58 1HG2 ILE 58 1.613 8.069 0.861 455 HG22 ILE 58 2HG2 ILE 58 1.052 8.744 2.390 456 HG23 ILE 58 3HG2 ILE 58 -0.005 8.765 0.977 457 HD11 ILE 58 3HD1 ILE 58 -2.365 8.480 3.554 458 HD12 ILE 58 1HD1 ILE 58 -1.176 9.078 2.395 459 HD13 ILE 58 2HD1 ILE 58 -0.688 8.709 4.049 460 H LEU 59 H LEU 59 0.646 7.299 -1.403 461 HA LEU 59 HA LEU 59 3.108 5.692 -1.643 462 HG LEU 59 HG LEU 59 1.298 6.871 -5.328 463 HB2 LEU 59 2HB LEU 59 2.976 5.707 -3.968 464 HB3 LEU 59 1HB LEU 59 1.335 5.379 -3.455 465 HD11 LEU 59 1HD1 LEU 59 0.684 8.396 -2.821 466 HD12 LEU 59 2HD1 LEU 59 -0.370 7.201 -3.576 467 HD13 LEU 59 3HD1 LEU 59 0.020 8.699 -4.423 468 HD21 LEU 59 3HD2 LEU 59 3.660 7.858 -4.482 469 HD22 LEU 59 1HD2 LEU 59 2.567 9.150 -3.992 470 HD23 LEU 59 2HD2 LEU 59 2.626 8.640 -5.673 471 H ASN 60 H ASN 60 5.004 6.761 -2.171 472 HA ASN 60 HA ASN 60 4.850 9.706 -2.213 473 HB2 ASN 60 2HB ASN 60 7.112 8.112 -0.983 474 HB3 ASN 60 1HB ASN 60 6.875 9.856 -0.918 475 HD21 ASN 60 1HD2 ASN 60 6.959 9.831 1.330 476 HD22 ASN 60 2HD2 ASN 60 5.645 9.249 2.288 477 H SER 61 H SER 61 5.151 10.105 -4.340 478 HA SER 61 HA SER 61 7.689 9.158 -5.483 479 HG SER 61 HG SER 61 5.032 6.761 -6.458 480 HB2 SER 61 2HB SER 61 5.464 8.910 -7.384 481 HB3 SER 61 1HB SER 61 6.840 7.848 -7.112 482 HA PRO 62 HA PRO 62 7.944 13.308 -7.020 483 HB2 PRO 62 2HB PRO 62 9.863 12.852 -8.888 484 HB3 PRO 62 1HB PRO 62 10.168 12.983 -7.154 485 HG2 PRO 62 2HG PRO 62 9.815 10.505 -8.811 486 HG3 PRO 62 1HG PRO 62 11.069 10.873 -7.606 487 HD2 PRO 62 2HD PRO 62 8.982 9.363 -6.972 488 HD3 PRO 62 1HD PRO 62 9.610 10.557 -5.822 489 H ASP 63 H ASP 63 6.861 10.655 -8.954 490 HA ASP 63 HA ASP 63 5.746 12.605 -10.817 491 HB2 ASP 63 2HB ASP 63 7.592 10.368 -11.564 492 HB3 ASP 63 1HB ASP 63 6.340 10.879 -12.694 493 H GLU 64 H GLU 64 3.840 11.855 -11.943 494 HA GLU 64 HA GLU 64 2.188 10.228 -10.309 495 HB2 GLU 64 2HB GLU 64 1.818 11.401 -13.037 496 HB3 GLU 64 1HB GLU 64 0.764 10.085 -12.551 497 HG2 GLU 64 2HG GLU 64 -0.464 11.817 -11.782 498 HG3 GLU 64 1HG GLU 64 0.534 11.523 -10.353 499 H ASP 65 H ASP 65 3.932 9.339 -13.319 500 HA ASP 65 HA ASP 65 2.924 6.813 -13.736 501 HB2 ASP 65 2HB ASP 65 4.766 7.982 -15.031 502 HB3 ASP 65 1HB ASP 65 5.877 7.442 -13.775 503 H SER 66 H SER 66 5.631 7.688 -11.638 504 HA SER 66 HA SER 66 5.932 5.196 -10.356 505 HG SER 66 HG SER 66 8.600 6.178 -10.029 506 HB2 SER 66 2HB SER 66 6.619 8.004 -9.465 507 HB3 SER 66 1HB SER 66 7.104 6.552 -8.586 508 H LEU 67 H LEU 67 4.463 8.200 -9.290 509 HA LEU 67 HA LEU 67 3.324 7.635 -6.926 510 HG LEU 67 HG LEU 67 1.052 9.334 -6.562 511 HB2 LEU 67 2HB LEU 67 3.134 9.805 -7.805 512 HB3 LEU 67 1HB LEU 67 2.362 9.247 -9.258 513 HD11 LEU 67 1HD1 LEU 67 0.985 11.516 -6.928 514 HD12 LEU 67 2HD1 LEU 67 -0.241 11.125 -8.133 515 HD13 LEU 67 3HD1 LEU 67 1.439 11.337 -8.622 516 HD21 LEU 67 3HD2 LEU 67 -1.010 9.243 -8.158 517 HD22 LEU 67 1HD2 LEU 67 -0.202 7.755 -7.668 518 HD23 LEU 67 2HD2 LEU 67 0.130 8.462 -9.251 519 H ALA 68 H ALA 68 1.551 7.133 -9.997 520 HA ALA 68 HA ALA 68 -0.555 5.710 -8.744 521 HB1 ALA 68 3HB ALA 68 0.325 6.087 -11.585 522 HB2 ALA 68 1HB ALA 68 -1.159 6.614 -10.790 523 HB3 ALA 68 2HB ALA 68 -0.933 4.913 -11.199 524 H HIS 69 H HIS 69 2.505 4.737 -10.180 525 HA HIS 69 HA HIS 69 2.104 2.008 -10.465 526 HD1 HIS 69 1HD HIS 69 3.241 0.121 -9.761 527 HD2 HIS 69 2HD HIS 69 6.642 1.794 -11.465 528 HE1 HIS 69 1HE HIS 69 4.682 -1.825 -10.436 529 HE2 HIS 69 2HE HIS 69 6.693 -0.791 -11.545 530 HB2 HIS 69 2HB HIS 69 4.158 3.344 -11.131 531 HB3 HIS 69 1HB HIS 69 4.672 3.231 -9.452 532 H MET 70 H MET 70 2.850 3.905 -7.607 533 HA MET 70 HA MET 70 3.113 1.568 -5.923 534 HB2 MET 70 2HB MET 70 2.674 4.039 -4.462 535 HB3 MET 70 1HB MET 70 4.045 2.952 -4.414 536 HG2 MET 70 2HG MET 70 3.627 5.085 -6.489 537 HG3 MET 70 1HG MET 70 4.639 5.242 -5.058 538 HE1 MET 70 3HE MET 70 6.039 3.135 -4.430 539 HE2 MET 70 1HE MET 70 7.406 2.766 -5.482 540 HE3 MET 70 2HE MET 70 5.964 1.752 -5.520 541 H GLN 71 H GLN 71 0.752 4.304 -5.950 542 HA GLN 71 HA GLN 71 -0.984 3.236 -4.094 543 HB2 GLN 71 2HB GLN 71 -2.799 4.538 -5.451 544 HB3 GLN 71 1HB GLN 71 -1.565 5.403 -4.557 545 HG2 GLN 71 2HG GLN 71 -0.862 6.391 -6.406 546 HG3 GLN 71 1HG GLN 71 -0.717 4.854 -7.252 547 HE21 GLN 71 1HE2 GLN 71 -2.357 7.757 -7.075 548 HE22 GLN 71 2HE2 GLN 71 -3.689 7.372 -8.105 549 H ASN 72 H ASN 72 -0.564 2.306 -7.413 550 HA ASN 72 HA ASN 72 -3.054 0.844 -7.523 551 HB2 ASN 72 2HB ASN 72 -1.652 1.924 -9.486 552 HB3 ASN 72 1HB ASN 72 -0.842 0.360 -9.472 553 HD21 ASN 72 1HD2 ASN 72 -3.837 2.035 -10.027 554 HD22 ASN 72 2HD2 ASN 72 -4.634 0.749 -10.861 555 H VAL 73 H VAL 73 0.403 0.035 -7.313 556 HA VAL 73 HA VAL 73 0.340 -2.693 -7.385 557 HB VAL 73 HB VAL 73 2.044 -0.802 -5.789 558 HG11 VAL 73 1HG1 VAL 73 3.527 -2.725 -5.249 559 HG12 VAL 73 2HG1 VAL 73 2.242 -3.810 -5.782 560 HG13 VAL 73 3HG1 VAL 73 1.985 -2.752 -4.395 561 HG21 VAL 73 3HG2 VAL 73 2.084 -1.453 -8.400 562 HG22 VAL 73 1HG2 VAL 73 3.174 -2.682 -7.755 563 HG23 VAL 73 2HG2 VAL 73 3.516 -0.972 -7.489 564 H VAL 74 H VAL 74 -0.422 -0.620 -4.614 565 HA VAL 74 HA VAL 74 -0.823 -2.790 -2.802 566 HB VAL 74 HB VAL 74 -1.824 0.053 -2.624 567 HG11 VAL 74 1HG1 VAL 74 -1.546 -1.901 -0.354 568 HG12 VAL 74 2HG1 VAL 74 -3.060 -1.652 -1.224 569 HG13 VAL 74 3HG1 VAL 74 -2.320 -0.319 -0.341 570 HG21 VAL 74 3HG2 VAL 74 0.274 0.604 -2.141 571 HG22 VAL 74 1HG2 VAL 74 0.785 -1.080 -2.275 572 HG23 VAL 74 2HG2 VAL 74 0.200 -0.455 -0.734 573 H ALA 75 H ALA 75 -3.071 -0.730 -4.688 574 HA ALA 75 HA ALA 75 -5.487 -1.704 -3.820 575 HB1 ALA 75 3HB ALA 75 -6.341 -1.212 -6.112 576 HB2 ALA 75 1HB ALA 75 -4.677 -0.927 -6.621 577 HB3 ALA 75 2HB ALA 75 -5.416 0.106 -5.396 578 H ASP 76 H ASP 76 -3.075 -3.223 -5.777 579 HA ASP 76 HA ASP 76 -4.736 -5.370 -6.715 580 HB2 ASP 76 2HB ASP 76 -2.339 -4.388 -7.520 581 HB3 ASP 76 1HB ASP 76 -1.809 -5.785 -6.590 582 H HIS 77 H HIS 77 -2.371 -4.958 -4.102 583 HA HIS 77 HA HIS 77 -2.310 -7.609 -3.216 584 HD1 HIS 77 1HD HIS 77 -0.686 -6.484 -4.538 585 HD2 HIS 77 2HD HIS 77 0.923 -4.678 -1.159 586 HE1 HIS 77 1HE HIS 77 1.603 -5.701 -5.219 587 HE2 HIS 77 2HE HIS 77 2.520 -4.528 -3.186 588 HB2 HIS 77 2HB HIS 77 -2.010 -5.152 -1.476 589 HB3 HIS 77 1HB HIS 77 -1.393 -6.760 -1.146 590 H LEU 78 H LEU 78 -4.508 -4.959 -2.328 591 HA LEU 78 HA LEU 78 -5.899 -6.387 -0.324 592 HG LEU 78 HG LEU 78 -5.054 -3.202 -0.598 593 HB2 LEU 78 2HB LEU 78 -6.723 -4.044 -2.044 594 HB3 LEU 78 1HB LEU 78 -7.686 -4.660 -0.719 595 HD11 LEU 78 1HD1 LEU 78 -6.247 -1.694 0.815 596 HD12 LEU 78 2HD1 LEU 78 -7.651 -2.760 0.859 597 HD13 LEU 78 3HD1 LEU 78 -7.202 -1.953 -0.644 598 HD21 LEU 78 3HD2 LEU 78 -4.772 -5.091 0.884 599 HD22 LEU 78 1HD2 LEU 78 -6.361 -4.813 1.595 600 HD23 LEU 78 2HD2 LEU 78 -5.068 -3.641 1.842 601 H GLN 79 H GLN 79 -6.043 -6.356 -3.785 602 HA GLN 79 HA GLN 79 -8.667 -7.458 -4.017 603 HB2 GLN 79 2HB GLN 79 -7.715 -6.183 -5.843 604 HB3 GLN 79 1HB GLN 79 -6.390 -7.326 -5.997 605 HG2 GLN 79 2HG GLN 79 -7.678 -8.898 -7.034 606 HG3 GLN 79 1HG GLN 79 -9.168 -8.339 -6.275 607 HE21 GLN 79 1HE2 GLN 79 -8.884 -8.921 -9.010 608 HE22 GLN 79 2HE2 GLN 79 -9.115 -7.457 -9.900 609 H ARG 80 H ARG 80 -5.406 -8.884 -4.050 610 HA ARG 80 HA ARG 80 -6.236 -11.499 -4.719 611 HE ARG 80 HE ARG 80 -3.546 -13.708 -5.562 612 HB2 ARG 80 2HB ARG 80 -3.800 -10.605 -3.163 613 HB3 ARG 80 1HB ARG 80 -4.031 -12.199 -3.868 614 HG2 ARG 80 2HG ARG 80 -4.447 -10.320 -5.921 615 HG3 ARG 80 1HG ARG 80 -2.981 -9.839 -5.066 616 HD2 ARG 80 2HD ARG 80 -2.561 -11.395 -6.952 617 HD3 ARG 80 1HD ARG 80 -2.012 -12.013 -5.395 618 HH11 ARG 80 1HH1 ARG 80 -4.306 -11.251 -7.921 619 HH12 ARG 80 2HH1 ARG 80 -5.511 -12.209 -8.714 620 HH21 ARG 80 1HH2 ARG 80 -5.130 -14.969 -6.603 621 HH22 ARG 80 2HH2 ARG 80 -5.980 -14.319 -7.965 622 H MET 81 H MET 81 -5.948 -9.753 -1.722 623 HA MET 81 HA MET 81 -6.443 -12.080 -0.089 624 HB2 MET 81 2HB MET 81 -6.457 -10.508 1.793 625 HB3 MET 81 1HB MET 81 -5.039 -10.327 0.780 626 HG2 MET 81 2HG MET 81 -5.687 -8.155 1.332 627 HG3 MET 81 1HG MET 81 -6.229 -8.389 -0.326 628 HE1 MET 81 3HE MET 81 -8.257 -5.968 1.892 629 HE2 MET 81 1HE MET 81 -6.654 -6.616 2.233 630 HE3 MET 81 2HE MET 81 -8.017 -7.053 3.262 631 H ALA 82 H ALA 82 -8.402 -9.960 -1.850 632 HA ALA 82 HA ALA 82 -10.772 -10.932 -0.390 633 HB1 ALA 82 3HB ALA 82 -10.789 -8.764 0.385 634 HB2 ALA 82 1HB ALA 82 -11.771 -8.613 -1.072 635 HB3 ALA 82 2HB ALA 82 -10.080 -8.112 -1.092 636 H ASN 83 H ASN 83 -11.058 -12.504 -2.003 637 HA ASN 83 HA ASN 83 -11.304 -11.735 -4.770 638 HB2 ASN 83 2HB ASN 83 -10.501 -14.009 -3.795 639 HB3 ASN 83 1HB ASN 83 -12.218 -14.373 -3.664 640 HD21 ASN 83 1HD2 ASN 83 -12.316 -15.940 -5.188 641 HD22 ASN 83 2HD2 ASN 83 -12.031 -15.668 -6.869 642 H SER 84 H SER 84 -13.046 -10.796 -5.575 643 HA SER 84 HA SER 84 -15.616 -11.779 -5.527 644 HG SER 84 HG SER 84 -16.702 -11.341 -2.331 645 HB2 SER 84 2HB SER 84 -14.987 -10.075 -3.177 646 HB3 SER 84 1HB SER 84 -16.520 -9.759 -3.991 647 H GLU 85 H GLU 85 -13.613 -8.902 -5.535 648 HA GLU 85 HA GLU 85 -14.662 -8.061 -8.061 649 HB2 GLU 85 2HB GLU 85 -15.595 -5.944 -7.393 650 HB3 GLU 85 1HB GLU 85 -16.402 -7.214 -6.485 651 HG2 GLU 85 2HG GLU 85 -14.118 -6.265 -5.027 652 HG3 GLU 85 1HG GLU 85 -15.154 -4.914 -5.488 653 H SER 86 H SER 86 -13.599 -5.949 -8.756 654 HA SER 86 HA SER 86 -10.806 -6.120 -8.171 655 HG SER 86 HG SER 86 -11.708 -5.481 -11.436 656 HB2 SER 86 2HB SER 86 -11.977 -3.749 -9.577 657 HB3 SER 86 1HB SER 86 -10.493 -4.637 -9.926 658 H LEU 87 H LEU 87 -11.229 -5.839 -5.832 659 HA LEU 87 HA LEU 87 -11.642 -4.537 -3.929 660 HG LEU 87 HG LEU 87 -8.239 -4.686 -3.007 661 HB2 LEU 87 2HB LEU 87 -9.036 -4.303 -5.078 662 HB3 LEU 87 1HB LEU 87 -9.461 -2.763 -4.352 663 HD11 LEU 87 1HD1 LEU 87 -10.244 -2.663 -2.094 664 HD12 LEU 87 2HD1 LEU 87 -8.483 -2.605 -2.012 665 HD13 LEU 87 3HD1 LEU 87 -9.380 -3.672 -0.933 666 HD21 LEU 87 3HD2 LEU 87 -11.116 -5.208 -2.297 667 HD22 LEU 87 1HD2 LEU 87 -9.682 -5.987 -1.635 668 HD23 LEU 87 2HD2 LEU 87 -10.144 -6.278 -3.309 669 H GLU 88 H GLU 88 -13.273 -3.153 -3.664 670 HA GLU 88 HA GLU 88 -13.565 -0.805 -5.279 671 HB2 GLU 88 2HB GLU 88 -15.491 -1.958 -4.186 672 HB3 GLU 88 1HB GLU 88 -14.857 -1.470 -2.620 673 HG2 GLU 88 2HG GLU 88 -15.028 0.920 -3.489 674 HG3 GLU 88 1HG GLU 88 -16.016 0.246 -4.786 675 H ILE 89 H ILE 89 -11.793 0.505 -5.118 676 HA ILE 89 HA ILE 89 -11.269 1.619 -2.460 677 HB ILE 89 HB ILE 89 -8.936 1.511 -2.650 678 HG12 ILE 89 2HG1 ILE 89 -8.989 2.207 -5.165 679 HG13 ILE 89 1HG1 ILE 89 -7.653 1.235 -4.577 680 HG21 ILE 89 1HG2 ILE 89 -9.726 -0.633 -2.088 681 HG22 ILE 89 2HG2 ILE 89 -8.440 -0.868 -3.270 682 HG23 ILE 89 3HG2 ILE 89 -10.127 -1.003 -3.763 683 HD11 ILE 89 3HD1 ILE 89 -10.059 0.170 -6.031 684 HD12 ILE 89 1HD1 ILE 89 -8.666 -0.764 -5.484 685 HD13 ILE 89 2HD1 ILE 89 -8.470 0.462 -6.738 686 H ALA 90 H ALA 90 -11.294 3.849 -2.411 687 HA ALA 90 HA ALA 90 -11.492 5.181 -5.009 688 HB1 ALA 90 3HB ALA 90 -13.167 5.646 -3.157 689 HB2 ALA 90 1HB ALA 90 -12.413 7.058 -3.897 690 HB3 ALA 90 2HB ALA 90 -11.865 6.495 -2.320 691 H TRP 91 H TRP 91 -9.644 5.755 -5.872 692 HA TRP 91 HA TRP 91 -7.399 6.511 -4.164 693 HD1 TRP 91 HD TRP 91 -8.693 3.844 -7.347 694 HE1 TRP 91 1HE TRP 91 -9.529 4.372 -9.722 695 HE3 TRP 91 3HE TRP 91 -6.517 8.428 -7.974 696 HZ2 TRP 91 2HZ TRP 91 -9.297 6.455 -11.613 697 HZ3 TRP 91 3HZ TRP 91 -6.873 9.622 -10.095 698 HH2 TRP 91 HH TRP 91 -8.234 8.655 -11.876 699 HB2 TRP 91 2HB TRP 91 -6.112 6.443 -6.338 700 HB3 TRP 91 1HB TRP 91 -6.807 4.908 -5.826 701 H GLN 92 H GLN 92 -6.657 8.523 -3.977 702 HA GLN 92 HA GLN 92 -8.121 10.652 -5.313 703 HB2 GLN 92 2HB GLN 92 -6.032 10.711 -3.128 704 HB3 GLN 92 1HB GLN 92 -6.828 12.139 -3.776 705 HG2 GLN 92 2HG GLN 92 -8.921 11.487 -2.912 706 HG3 GLN 92 1HG GLN 92 -8.351 9.856 -2.560 707 HE21 GLN 92 1HE2 GLN 92 -8.618 9.750 -0.415 708 HE22 GLN 92 2HE2 GLN 92 -7.874 10.812 0.726 709 HA PRO 93 HA PRO 93 -5.318 11.786 -8.501 710 HB2 PRO 93 2HB PRO 93 -5.114 14.429 -7.141 711 HB3 PRO 93 1HB PRO 93 -5.444 14.065 -8.839 712 HG2 PRO 93 2HG PRO 93 -7.413 14.801 -7.201 713 HG3 PRO 93 1HG PRO 93 -7.670 13.556 -8.437 714 HD2 PRO 93 2HD PRO 93 -7.376 13.269 -5.493 715 HD3 PRO 93 1HD PRO 93 -8.302 12.281 -6.640 716 H ALA 94 H ALA 94 -4.436 12.871 -5.243 717 HA ALA 94 HA ALA 94 -2.469 12.284 -4.116 718 HB1 ALA 94 3HB ALA 94 -0.601 11.348 -5.106 719 HB2 ALA 94 1HB ALA 94 -0.869 12.194 -6.628 720 HB3 ALA 94 2HB ALA 94 -1.878 10.815 -6.204 721 H GLU 95 H GLU 95 -3.564 14.800 -4.727 722 HA GLU 95 HA GLU 95 -1.149 16.426 -4.519 723 HB2 GLU 95 2HB GLU 95 -2.487 16.305 -6.914 724 HB3 GLU 95 1HB GLU 95 -3.221 17.709 -6.153 725 HG2 GLU 95 2HG GLU 95 -0.490 18.016 -5.726 726 HG3 GLU 95 1HG GLU 95 -0.630 17.420 -7.380 727 H SER 96 H SER 96 -1.434 18.382 -3.400 728 HA SER 96 HA SER 96 -3.765 18.387 -1.653 729 HG SER 96 HG SER 96 -2.179 19.297 0.863 730 HB2 SER 96 2HB SER 96 -1.277 18.661 -0.917 731 HB3 SER 96 1HB SER 96 -1.488 20.333 -1.436 Start of MODEL 17 1 HA MET 1 HA MET 1 7.010 13.316 -5.156 2 HB2 MET 1 2HB MET 1 7.613 13.621 -2.830 3 HB3 MET 1 1HB MET 1 8.930 14.148 -3.873 4 HG2 MET 1 2HG MET 1 7.093 16.296 -3.168 5 HG3 MET 1 1HG MET 1 7.866 15.552 -1.773 6 HE1 MET 1 3HE MET 1 9.897 16.821 -0.837 7 HE2 MET 1 1HE MET 1 11.380 16.733 -1.787 8 HE3 MET 1 2HE MET 1 10.429 15.277 -1.501 9 H PHE 2 H PHE 2 4.914 13.332 -5.709 10 HA PHE 2 HA PHE 2 3.067 15.115 -4.290 11 HD1 PHE 2 2HD PHE 2 3.551 16.505 -6.706 12 HD2 PHE 2 1HD PHE 2 3.064 12.537 -8.171 13 HE1 PHE 2 2HE PHE 2 4.869 17.083 -8.701 14 HE2 PHE 2 1HE PHE 2 4.371 13.112 -10.167 15 HZ PHE 2 HZ PHE 2 5.280 15.384 -10.437 16 HB2 PHE 2 2HB PHE 2 1.997 13.148 -6.234 17 HB3 PHE 2 1HB PHE 2 1.595 14.847 -6.023 18 H ARG 3 H ARG 3 0.919 13.921 -3.560 19 HA ARG 3 HA ARG 3 1.486 11.206 -2.706 20 HE ARG 3 HE ARG 3 4.565 10.795 1.518 21 HB2 ARG 3 2HB ARG 3 2.026 13.319 -0.940 22 HB3 ARG 3 1HB ARG 3 0.519 12.606 -0.376 23 HG2 ARG 3 2HG ARG 3 1.791 11.117 0.662 24 HG3 ARG 3 1HG ARG 3 2.070 10.413 -0.915 25 HD2 ARG 3 2HD ARG 3 4.230 10.889 -0.752 26 HD3 ARG 3 1HD ARG 3 3.850 12.602 -0.608 27 HH11 ARG 3 1HH1 ARG 3 3.016 13.817 0.708 28 HH12 ARG 3 2HH1 ARG 3 3.231 14.492 2.288 29 HH21 ARG 3 1HH2 ARG 3 4.846 11.682 3.595 30 HH22 ARG 3 2HH2 ARG 3 4.270 13.281 3.926 31 H SER 4 H SER 4 -0.232 9.986 -2.864 32 HA SER 4 HA SER 4 -2.923 11.170 -2.748 33 HG SER 4 HG SER 4 -4.459 9.028 -4.315 34 HB2 SER 4 2HB SER 4 -2.915 10.365 -4.916 35 HB3 SER 4 1HB SER 4 -1.690 9.143 -4.567 36 H THR 5 H THR 5 -4.612 9.582 -1.952 37 HA THR 5 HA THR 5 -3.501 7.462 -0.308 38 HB THR 5 HB THR 5 -4.493 8.190 1.754 39 HG1 THR 5 1HG THR 5 -6.339 9.192 1.014 40 HG21 THR 5 3HG2 THR 5 -2.297 9.351 0.949 41 HG22 THR 5 1HG2 THR 5 -3.150 9.932 2.377 42 HG23 THR 5 2HG2 THR 5 -3.332 10.776 0.841 43 H SER 6 H SER 6 -4.681 5.693 -0.346 44 HA SER 6 HA SER 6 -7.497 5.924 -1.205 45 HG SER 6 HG SER 6 -7.504 3.304 -3.202 46 HB2 SER 6 2HB SER 6 -5.921 4.640 -2.711 47 HB3 SER 6 1HB SER 6 -5.748 3.464 -1.408 48 H HIS 7 H HIS 7 -9.089 5.141 0.077 49 HA HIS 7 HA HIS 7 -8.272 3.724 2.539 50 HD1 HIS 7 1HD HIS 7 -9.648 6.140 5.406 51 HD2 HIS 7 2HD HIS 7 -11.543 2.921 3.586 52 HE1 HIS 7 1HE HIS 7 -10.836 4.924 7.259 53 HE2 HIS 7 2HE HIS 7 -11.902 2.931 6.146 54 HB2 HIS 7 2HB HIS 7 -9.096 5.990 3.004 55 HB3 HIS 7 1HB HIS 7 -10.602 5.621 2.171 56 H VAL 8 H VAL 8 -9.196 1.791 2.977 57 HA VAL 8 HA VAL 8 -11.675 1.045 1.597 58 HB VAL 8 HB VAL 8 -9.505 -1.005 1.735 59 HG11 VAL 8 1HG1 VAL 8 -11.861 -1.542 1.097 60 HG12 VAL 8 2HG1 VAL 8 -10.654 -1.987 -0.108 61 HG13 VAL 8 3HG1 VAL 8 -11.639 -0.543 -0.340 62 HG21 VAL 8 3HG2 VAL 8 -9.738 0.972 -0.532 63 HG22 VAL 8 1HG2 VAL 8 -8.621 -0.388 -0.420 64 HG23 VAL 8 2HG2 VAL 8 -8.461 0.977 0.684 65 H ARG 9 H ARG 9 -12.831 -0.726 2.613 66 HA ARG 9 HA ARG 9 -12.089 -1.000 5.442 67 HE ARG 9 HE ARG 9 -14.522 2.926 6.452 68 HB2 ARG 9 2HB ARG 9 -14.684 -1.066 4.001 69 HB3 ARG 9 1HB ARG 9 -14.519 -2.154 5.370 70 HG2 ARG 9 2HG ARG 9 -15.489 -0.139 6.160 71 HG3 ARG 9 1HG ARG 9 -13.827 -0.200 6.752 72 HD2 ARG 9 2HD ARG 9 -13.125 1.488 5.353 73 HD3 ARG 9 1HD ARG 9 -14.403 1.187 4.176 74 HH11 ARG 9 1HH1 ARG 9 -16.419 0.959 4.281 75 HH12 ARG 9 2HH1 ARG 9 -17.875 1.861 4.536 76 HH21 ARG 9 1HH2 ARG 9 -16.436 4.113 6.789 77 HH22 ARG 9 2HH2 ARG 9 -17.884 3.652 5.960 78 H THR 10 H THR 10 -10.759 -2.685 5.725 79 HA THR 10 HA THR 10 -11.584 -5.288 4.628 80 HB THR 10 HB THR 10 -9.347 -3.871 3.802 81 HG1 THR 10 1HG THR 10 -10.447 -5.602 2.736 82 HG21 THR 10 3HG2 THR 10 -7.430 -4.768 4.609 83 HG22 THR 10 1HG2 THR 10 -8.219 -6.251 5.149 84 HG23 THR 10 2HG2 THR 10 -8.405 -4.765 6.086 85 H GLU 11 H GLU 11 -10.826 -7.169 5.853 86 HA GLU 11 HA GLU 11 -10.483 -6.509 8.702 87 HB2 GLU 11 2HB GLU 11 -12.187 -8.330 7.335 88 HB3 GLU 11 1HB GLU 11 -11.083 -9.271 8.329 89 HG2 GLU 11 2HG GLU 11 -12.149 -8.711 10.187 90 HG3 GLU 11 1HG GLU 11 -12.103 -6.997 9.772 91 H SER 12 H SER 12 -8.884 -7.516 9.967 92 HA SER 12 HA SER 12 -6.844 -8.386 10.431 93 HG SER 12 HG SER 12 -5.467 -10.500 9.947 94 HB2 SER 12 2HB SER 12 -7.760 -10.517 9.960 95 HB3 SER 12 1HB SER 12 -7.707 -10.244 8.219 96 H ALA 13 H ALA 13 -7.142 -6.240 8.457 97 HA ALA 13 HA ALA 13 -5.448 -6.325 6.284 98 HB1 ALA 13 3HB ALA 13 -5.311 -3.969 6.396 99 HB2 ALA 13 1HB ALA 13 -5.647 -3.990 8.118 100 HB3 ALA 13 2HB ALA 13 -6.911 -4.423 6.979 101 H ALA 14 H ALA 14 -4.503 -5.311 9.552 102 HA ALA 14 HA ALA 14 -1.927 -4.576 9.195 103 HB1 ALA 14 3HB ALA 14 -2.940 -6.259 11.474 104 HB2 ALA 14 1HB ALA 14 -3.054 -4.505 11.326 105 HB3 ALA 14 2HB ALA 14 -1.475 -5.276 11.484 106 H ARG 15 H ARG 15 -3.012 -7.894 8.891 107 HA ARG 15 HA ARG 15 -0.339 -8.971 9.071 108 HE ARG 15 HE ARG 15 1.197 -13.264 8.443 109 HB2 ARG 15 2HB ARG 15 -2.590 -10.138 9.626 110 HB3 ARG 15 1HB ARG 15 -2.681 -10.430 7.900 111 HG2 ARG 15 2HG ARG 15 -1.075 -11.745 9.946 112 HG3 ARG 15 1HG ARG 15 -1.645 -12.336 8.392 113 HD2 ARG 15 2HD ARG 15 0.231 -11.508 7.254 114 HD3 ARG 15 1HD ARG 15 0.652 -10.407 8.562 115 HH11 ARG 15 1HH1 ARG 15 1.312 -10.299 10.289 116 HH12 ARG 15 2HH1 ARG 15 2.490 -10.897 11.405 117 HH21 ARG 15 1HH2 ARG 15 2.744 -14.046 9.915 118 HH22 ARG 15 2HH2 ARG 15 3.301 -13.022 11.196 119 H TYR 16 H TYR 16 -2.585 -8.159 6.475 120 HA TYR 16 HA TYR 16 -1.001 -9.339 4.425 121 HD1 TYR 16 2HD TYR 16 -2.626 -10.730 4.739 122 HD2 TYR 16 1HD TYR 16 -5.282 -7.656 3.442 123 HE1 TYR 16 2HE TYR 16 -4.523 -12.241 5.043 124 HE2 TYR 16 1HE TYR 16 -7.184 -9.173 3.751 125 HH TYR 16 HH TYR 16 -7.125 -12.208 3.811 126 HB2 TYR 16 2HB TYR 16 -3.013 -7.098 4.140 127 HB3 TYR 16 1HB TYR 16 -2.378 -8.093 2.839 128 H VAL 17 H VAL 17 -0.771 -6.361 6.168 129 HA VAL 17 HA VAL 17 0.961 -5.103 4.213 130 HB VAL 17 HB VAL 17 0.101 -4.352 7.002 131 HG11 VAL 17 1HG1 VAL 17 1.552 -2.197 6.151 132 HG12 VAL 17 2HG1 VAL 17 2.574 -3.547 5.661 133 HG13 VAL 17 3HG1 VAL 17 2.089 -3.369 7.351 134 HG21 VAL 17 3HG2 VAL 17 -1.356 -3.793 5.091 135 HG22 VAL 17 1HG2 VAL 17 -0.039 -2.834 4.411 136 HG23 VAL 17 2HG2 VAL 17 -0.754 -2.372 5.954 137 H ASN 18 H ASN 18 1.279 -6.649 7.395 138 HA ASN 18 HA ASN 18 4.091 -6.377 7.561 139 HB2 ASN 18 2HB ASN 18 2.332 -8.409 8.942 140 HB3 ASN 18 1HB ASN 18 3.942 -7.902 9.442 141 HD21 ASN 18 1HD2 ASN 18 1.890 -7.771 11.203 142 HD22 ASN 18 2HD2 ASN 18 1.466 -6.124 11.509 143 H ARG 19 H ARG 19 2.041 -8.730 5.998 144 HA ARG 19 HA ARG 19 4.091 -10.718 5.811 145 HE ARG 19 HE ARG 19 -0.002 -12.659 5.345 146 HB2 ARG 19 2HB ARG 19 1.471 -10.948 5.799 147 HB3 ARG 19 1HB ARG 19 1.667 -10.725 4.066 148 HG2 ARG 19 2HG ARG 19 2.134 -12.869 3.869 149 HG3 ARG 19 1HG ARG 19 3.569 -12.622 4.856 150 HD2 ARG 19 2HD ARG 19 2.232 -14.384 5.812 151 HD3 ARG 19 1HD ARG 19 2.220 -12.984 6.880 152 HH11 ARG 19 1HH1 ARG 19 1.204 -15.245 7.354 153 HH12 ARG 19 2HH1 ARG 19 -0.373 -15.826 7.770 154 HH21 ARG 19 1HH2 ARG 19 -2.078 -13.422 5.890 155 HH22 ARG 19 2HH2 ARG 19 -2.237 -14.792 6.939 156 H LEU 20 H LEU 20 3.299 -7.935 3.964 157 HA LEU 20 HA LEU 20 4.219 -8.880 1.444 158 HG LEU 20 HG LEU 20 1.799 -6.859 2.474 159 HB2 LEU 20 2HB LEU 20 4.005 -6.059 2.470 160 HB3 LEU 20 1HB LEU 20 4.263 -6.510 0.797 161 HD11 LEU 20 1HD1 LEU 20 2.227 -5.642 -0.246 162 HD12 LEU 20 2HD1 LEU 20 2.225 -4.734 1.265 163 HD13 LEU 20 3HD1 LEU 20 0.762 -5.567 0.736 164 HD21 LEU 20 3HD2 LEU 20 0.808 -8.018 0.479 165 HD22 LEU 20 1HD2 LEU 20 1.986 -8.976 1.372 166 HD23 LEU 20 2HD2 LEU 20 2.441 -8.212 -0.151 167 H CYS 21 H CYS 21 5.754 -6.930 3.988 168 HA CYS 21 HA CYS 21 8.138 -6.349 2.725 169 HG CYS 21 HG CYS 21 8.261 -7.334 6.934 170 HB2 CYS 21 2HB CYS 21 9.137 -6.174 4.967 171 HB3 CYS 21 1HB CYS 21 7.541 -5.430 4.919 172 H LYS 22 H LYS 22 7.217 -9.317 4.375 173 HA LYS 22 HA LYS 22 9.831 -10.487 4.081 174 HB2 LYS 22 2HB LYS 22 7.210 -11.817 4.800 175 HB3 LYS 22 1HB LYS 22 8.813 -12.511 4.996 176 HG2 LYS 22 2HG LYS 22 9.126 -11.490 6.958 177 HG3 LYS 22 1HG LYS 22 8.574 -9.944 6.326 178 HD2 LYS 22 2HD LYS 22 7.167 -10.815 8.191 179 HD3 LYS 22 1HD LYS 22 6.272 -10.513 6.704 180 HE2 LYS 22 2HE LYS 22 7.256 -13.245 6.824 181 HE3 LYS 22 1HE LYS 22 6.255 -12.837 8.217 182 HZ1 LYS 22 3HZ LYS 22 4.445 -12.369 6.873 183 HZ2 LYS 22 1HZ LYS 22 5.120 -13.736 6.139 184 HZ3 LYS 22 2HZ LYS 22 5.380 -12.202 5.474 185 H HIS 23 H HIS 23 7.012 -10.198 2.158 186 HA HIS 23 HA HIS 23 7.601 -12.494 0.496 187 HD1 HIS 23 1HD HIS 23 5.779 -12.393 2.776 188 HD2 HIS 23 2HD HIS 23 3.685 -13.258 -0.709 189 HE1 HIS 23 1HE HIS 23 4.216 -14.272 3.378 190 HE2 HIS 23 2HE HIS 23 3.021 -14.833 1.232 191 HB2 HIS 23 2HB HIS 23 5.446 -10.417 0.514 192 HB3 HIS 23 1HB HIS 23 5.681 -11.434 -0.902 193 H TRP 24 H TRP 24 7.246 -8.983 -0.226 194 HA TRP 24 HA TRP 24 8.716 -9.380 -2.690 195 HD1 TRP 24 HD TRP 24 5.402 -8.817 -1.239 196 HE1 TRP 24 1HE TRP 24 3.516 -9.121 -2.965 197 HE3 TRP 24 3HE TRP 24 7.663 -6.687 -5.301 198 HZ2 TRP 24 2HZ TRP 24 3.049 -8.537 -5.686 199 HZ3 TRP 24 3HZ TRP 24 6.428 -6.600 -7.428 200 HH2 TRP 24 HH TRP 24 4.169 -7.507 -7.614 201 HB2 TRP 24 2HB TRP 24 7.559 -6.897 -1.414 202 HB3 TRP 24 1HB TRP 24 8.324 -6.943 -2.999 203 H GLY 25 H GLY 25 9.599 -8.792 0.541 204 HA2 GLY 25 2HA GLY 25 11.779 -7.006 0.097 205 HA3 GLY 25 1HA GLY 25 11.536 -8.011 1.513 206 H HIS 26 H HIS 26 12.387 -8.381 -1.922 207 HA HIS 26 HA HIS 26 14.332 -10.434 -1.111 208 HD1 HIS 26 1HD HIS 26 12.747 -11.621 -0.472 209 HD2 HIS 26 2HD HIS 26 12.482 -13.182 -4.314 210 HE1 HIS 26 1HE HIS 26 11.774 -13.923 -0.196 211 HE2 HIS 26 2HE HIS 26 11.543 -14.815 -2.541 212 HB2 HIS 26 2HB HIS 26 12.615 -10.099 -3.527 213 HB3 HIS 26 1HB HIS 26 14.185 -10.870 -3.727 214 H LYS 27 H LYS 27 13.891 -7.384 -2.735 215 HA LYS 27 HA LYS 27 16.773 -7.008 -2.793 216 HB2 LYS 27 2HB LYS 27 16.504 -8.071 -4.918 217 HB3 LYS 27 1HB LYS 27 15.090 -7.105 -5.300 218 HG2 LYS 27 2HG LYS 27 17.482 -5.502 -4.822 219 HG3 LYS 27 1HG LYS 27 17.644 -6.634 -6.164 220 HD2 LYS 27 2HD LYS 27 16.244 -5.468 -7.459 221 HD3 LYS 27 1HD LYS 27 15.077 -5.267 -6.153 222 HE2 LYS 27 2HE LYS 27 15.862 -3.234 -5.590 223 HE3 LYS 27 1HE LYS 27 17.540 -3.679 -5.894 224 HZ1 LYS 27 3HZ LYS 27 17.433 -2.982 -8.020 225 HZ2 LYS 27 1HZ LYS 27 16.175 -2.012 -7.437 226 HZ3 LYS 27 2HZ LYS 27 15.826 -3.463 -8.232 227 H PHE 28 H PHE 28 14.252 -5.851 -1.566 228 HA PHE 28 HA PHE 28 14.906 -3.077 -2.203 229 HD1 PHE 28 2HD PHE 28 13.684 -1.332 -3.904 230 HD2 PHE 28 1HD PHE 28 12.248 -5.310 -4.365 231 HE1 PHE 28 2HE PHE 28 13.903 -1.123 -6.346 232 HE2 PHE 28 1HE PHE 28 12.465 -5.111 -6.808 233 HZ PHE 28 HZ PHE 28 13.293 -3.015 -7.802 234 HB2 PHE 28 2HB PHE 28 12.142 -4.266 -2.269 235 HB3 PHE 28 1HB PHE 28 12.425 -2.535 -2.099 236 H GLU 29 H GLU 29 14.001 -1.520 -0.604 237 HA GLU 29 HA GLU 29 14.504 -2.589 2.043 238 HB2 GLU 29 2HB GLU 29 14.252 -0.208 2.778 239 HB3 GLU 29 1HB GLU 29 15.507 -0.471 1.576 240 HG2 GLU 29 2HG GLU 29 14.210 0.501 -0.133 241 HG3 GLU 29 1HG GLU 29 12.752 0.468 0.854 242 H VAL 30 H VAL 30 12.884 -3.742 2.863 243 HA VAL 30 HA VAL 30 10.194 -2.549 2.821 244 HB VAL 30 HB VAL 30 9.587 -5.065 3.415 245 HG11 VAL 30 1HG1 VAL 30 10.071 -3.842 0.724 246 HG12 VAL 30 2HG1 VAL 30 8.545 -4.107 1.571 247 HG13 VAL 30 3HG1 VAL 30 9.421 -5.472 0.887 248 HG21 VAL 30 3HG2 VAL 30 10.981 -6.698 2.571 249 HG22 VAL 30 1HG2 VAL 30 12.127 -5.570 3.295 250 HG23 VAL 30 2HG2 VAL 30 11.870 -5.564 1.548 251 H GLU 31 H GLU 31 9.716 -1.638 4.720 252 HA GLU 31 HA GLU 31 10.848 -2.724 7.182 253 HB2 GLU 31 2HB GLU 31 10.347 -0.136 6.319 254 HB3 GLU 31 1HB GLU 31 9.053 -0.438 7.470 255 HG2 GLU 31 2HG GLU 31 10.679 -1.020 9.175 256 HG3 GLU 31 1HG GLU 31 11.992 -0.789 8.020 257 H LEU 32 H LEU 32 9.449 -3.116 9.050 258 HA LEU 32 HA LEU 32 6.659 -3.700 8.353 259 HG LEU 32 HG LEU 32 5.914 -6.334 8.239 260 HB2 LEU 32 2HB LEU 32 8.189 -5.708 8.101 261 HB3 LEU 32 1HB LEU 32 8.376 -5.673 9.840 262 HD11 LEU 32 1HD1 LEU 32 7.851 -7.761 9.898 263 HD12 LEU 32 2HD1 LEU 32 6.783 -8.353 8.626 264 HD13 LEU 32 3HD1 LEU 32 6.166 -8.136 10.264 265 HD21 LEU 32 3HD2 LEU 32 4.778 -6.506 10.505 266 HD22 LEU 32 1HD2 LEU 32 5.012 -4.879 9.868 267 HD23 LEU 32 2HD2 LEU 32 6.082 -5.499 11.126 268 H THR 33 H THR 33 5.530 -2.484 9.695 269 HA THR 33 HA THR 33 6.173 -2.636 12.588 270 HB THR 33 HB THR 33 5.008 -0.281 12.583 271 HG1 THR 33 1HG THR 33 4.590 -0.432 10.271 272 HG21 THR 33 3HG2 THR 33 7.390 -0.708 13.175 273 HG22 THR 33 1HG2 THR 33 7.080 0.866 12.441 274 HG23 THR 33 2HG2 THR 33 7.798 -0.429 11.482 275 HA PRO 34 HA PRO 34 1.975 -4.000 12.878 276 HB2 PRO 34 2HB PRO 34 1.300 -3.194 15.375 277 HB3 PRO 34 1HB PRO 34 2.391 -4.542 15.055 278 HG2 PRO 34 2HG PRO 34 3.030 -1.739 15.854 279 HG3 PRO 34 1HG PRO 34 3.793 -3.253 16.371 280 HD2 PRO 34 2HD PRO 34 4.847 -1.570 14.477 281 HD3 PRO 34 1HD PRO 34 5.182 -3.311 14.549 282 H GLU 35 H GLU 35 2.138 -1.776 11.379 283 HA GLU 35 HA GLU 35 -0.373 -0.478 11.858 284 HB2 GLU 35 2HB GLU 35 2.214 1.086 11.961 285 HB3 GLU 35 1HB GLU 35 0.631 1.824 11.752 286 HG2 GLU 35 2HG GLU 35 1.559 0.237 14.132 287 HG3 GLU 35 1HG GLU 35 1.370 1.985 14.047 288 H ARG 36 H ARG 36 2.597 -0.729 9.945 289 HA ARG 36 HA ARG 36 1.173 -0.835 7.512 290 HE ARG 36 HE ARG 36 4.598 3.724 7.716 291 HB2 ARG 36 2HB ARG 36 2.304 1.249 6.553 292 HB3 ARG 36 1HB ARG 36 0.925 1.509 7.604 293 HG2 ARG 36 2HG ARG 36 2.546 1.865 9.485 294 HG3 ARG 36 1HG ARG 36 3.834 1.832 8.280 295 HD2 ARG 36 2HD ARG 36 1.936 3.614 7.276 296 HD3 ARG 36 1HD ARG 36 2.039 3.971 9.000 297 HH11 ARG 36 1HH1 ARG 36 1.972 5.897 8.468 298 HH12 ARG 36 2HH1 ARG 36 2.952 7.319 8.359 299 HH21 ARG 36 1HH2 ARG 36 5.889 5.595 7.572 300 HH22 ARG 36 2HH2 ARG 36 5.176 7.149 7.849 301 H GLY 37 H GLY 37 2.649 -0.712 5.612 302 HA2 GLY 37 2HA GLY 37 5.258 -1.907 6.309 303 HA3 GLY 37 1HA GLY 37 4.328 -2.326 4.869 304 H PHE 38 H PHE 38 7.087 -1.211 5.064 305 HA PHE 38 HA PHE 38 6.619 1.219 3.456 306 HD1 PHE 38 2HD PHE 38 7.307 3.608 3.692 307 HD2 PHE 38 1HD PHE 38 10.854 1.581 4.899 308 HE1 PHE 38 2HE PHE 38 8.665 5.448 2.793 309 HE2 PHE 38 1HE PHE 38 12.214 3.416 3.995 310 HZ PHE 38 HZ PHE 38 11.121 5.351 2.934 311 HB2 PHE 38 2HB PHE 38 7.473 1.807 5.663 312 HB3 PHE 38 1HB PHE 38 8.812 0.686 5.471 313 H ILE 39 H ILE 39 7.147 0.799 1.429 314 HA ILE 39 HA ILE 39 9.581 -0.809 0.934 315 HB ILE 39 HB ILE 39 7.272 -0.923 -0.980 316 HG12 ILE 39 2HG1 ILE 39 7.611 -2.511 1.559 317 HG13 ILE 39 1HG1 ILE 39 6.152 -1.778 0.904 318 HG21 ILE 39 1HG2 ILE 39 8.580 -2.319 -2.114 319 HG22 ILE 39 2HG2 ILE 39 8.915 -3.288 -0.682 320 HG23 ILE 39 3HG2 ILE 39 9.886 -1.858 -1.024 321 HD11 ILE 39 3HD1 ILE 39 6.011 -3.481 -0.794 322 HD12 ILE 39 1HD1 ILE 39 6.124 -4.224 0.802 323 HD13 ILE 39 2HD1 ILE 39 7.535 -4.184 -0.254 324 H ASP 40 H ASP 40 11.032 0.631 0.110 325 HA ASP 40 HA ASP 40 10.019 2.656 -1.759 326 HB2 ASP 40 2HB ASP 40 11.298 4.117 -0.657 327 HB3 ASP 40 1HB ASP 40 11.922 2.847 0.380 328 H PHE 41 H PHE 41 10.566 2.642 -3.808 329 HA PHE 41 HA PHE 41 12.262 0.456 -4.755 330 HD1 PHE 41 1HD PHE 41 11.477 -1.171 -6.795 331 HD2 PHE 41 2HD PHE 41 8.258 1.128 -5.229 332 HE1 PHE 41 1HE PHE 41 10.087 -3.198 -6.695 333 HE2 PHE 41 2HE PHE 41 6.861 -0.895 -5.124 334 HZ PHE 41 HZ PHE 41 7.775 -3.061 -5.858 335 HB2 PHE 41 2HB PHE 41 10.161 2.204 -6.012 336 HB3 PHE 41 1HB PHE 41 11.316 1.364 -7.037 337 H GLY 42 H GLY 42 12.857 3.439 -3.745 338 HA2 GLY 42 2HA GLY 42 15.144 4.236 -4.138 339 HA3 GLY 42 1HA GLY 42 14.859 3.970 -5.852 340 H ASP 43 H ASP 43 13.566 5.435 -7.010 341 HA ASP 43 HA ASP 43 13.412 8.082 -5.794 342 HB2 ASP 43 2HB ASP 43 14.184 7.278 -8.290 343 HB3 ASP 43 1HB ASP 43 12.516 7.758 -8.585 344 H SER 44 H SER 44 11.650 6.474 -4.613 345 HA SER 44 HA SER 44 9.224 7.736 -4.698 346 HG SER 44 HG SER 44 7.358 5.011 -5.582 347 HB2 SER 44 2HB SER 44 8.006 6.877 -6.386 348 HB3 SER 44 1HB SER 44 9.473 6.132 -6.990 349 H ASN 45 H ASN 45 7.386 5.957 -3.824 350 HA ASN 45 HA ASN 45 8.537 3.872 -2.234 351 HB2 ASN 45 2HB ASN 45 7.261 5.946 -0.508 352 HB3 ASN 45 1HB ASN 45 8.491 4.758 -0.104 353 HD21 ASN 45 1HD2 ASN 45 10.397 5.562 0.323 354 HD22 ASN 45 2HD2 ASN 45 11.049 7.038 -0.294 355 H CYS 46 H CYS 46 6.826 2.931 -0.716 356 HA CYS 46 HA CYS 46 4.096 3.586 -1.417 357 HG CYS 46 HG CYS 46 2.524 1.533 -3.275 358 HB2 CYS 46 2HB CYS 46 4.916 2.027 -3.207 359 HB3 CYS 46 1HB CYS 46 5.136 0.803 -1.960 360 H GLU 47 H GLU 47 3.468 3.885 0.640 361 HA GLU 47 HA GLU 47 4.110 1.836 2.637 362 HB2 GLU 47 2HB GLU 47 4.456 4.469 2.839 363 HB3 GLU 47 1HB GLU 47 2.775 4.415 3.339 364 HG2 GLU 47 2HG GLU 47 3.249 3.299 5.293 365 HG3 GLU 47 1HG GLU 47 4.747 2.611 4.669 366 H LEU 48 H LEU 48 2.419 0.964 3.979 367 HA LEU 48 HA LEU 48 -0.298 1.526 3.063 368 HG LEU 48 HG LEU 48 1.588 -1.724 3.858 369 HB2 LEU 48 2HB LEU 48 -0.701 -1.032 3.225 370 HB3 LEU 48 1HB LEU 48 -0.075 -0.329 1.748 371 HD11 LEU 48 1HD1 LEU 48 1.342 -2.852 1.153 372 HD12 LEU 48 2HD1 LEU 48 -0.113 -2.941 2.144 373 HD13 LEU 48 3HD1 LEU 48 1.393 -3.652 2.722 374 HD21 LEU 48 3HD2 LEU 48 3.241 -0.543 2.896 375 HD22 LEU 48 1HD2 LEU 48 2.252 -0.102 1.504 376 HD23 LEU 48 2HD2 LEU 48 3.054 -1.672 1.556 377 H LEU 49 H LEU 49 -1.598 1.887 4.672 378 HA LEU 49 HA LEU 49 -0.812 1.026 7.367 379 HG LEU 49 HG LEU 49 -2.187 1.806 9.155 380 HB2 LEU 49 2HB LEU 49 -1.712 3.386 6.741 381 HB3 LEU 49 1HB LEU 49 -3.280 2.600 6.740 382 HD11 LEU 49 1HD1 LEU 49 -1.772 4.373 9.923 383 HD12 LEU 49 2HD1 LEU 49 -1.026 4.370 8.326 384 HD13 LEU 49 3HD1 LEU 49 -0.493 3.219 9.550 385 HD21 LEU 49 3HD2 LEU 49 -4.067 4.058 8.458 386 HD22 LEU 49 1HD2 LEU 49 -3.793 3.482 10.103 387 HD23 LEU 49 2HD2 LEU 49 -4.482 2.400 8.892 388 H ALA 50 H ALA 50 -1.758 -0.636 8.410 389 HA ALA 50 HA ALA 50 -4.304 -1.625 7.367 390 HB1 ALA 50 3HB ALA 50 -3.436 -3.917 7.317 391 HB2 ALA 50 1HB ALA 50 -1.822 -3.291 7.638 392 HB3 ALA 50 2HB ALA 50 -2.669 -2.854 6.153 393 H HIS 51 H HIS 51 -5.646 -1.645 8.981 394 HA HIS 51 HA HIS 51 -4.730 -2.552 11.596 395 HD1 HIS 51 1HD HIS 51 -7.752 -0.056 13.717 396 HD2 HIS 51 2HD HIS 51 -3.824 -1.352 13.297 397 HE1 HIS 51 1HE HIS 51 -6.720 0.173 15.998 398 HE2 HIS 51 2HE HIS 51 -4.369 -0.694 15.737 399 HB2 HIS 51 2HB HIS 51 -5.925 -0.148 11.003 400 HB3 HIS 51 1HB HIS 51 -7.311 -1.121 11.473 401 HA PRO 52 HA PRO 52 -7.261 -6.133 11.733 402 HB2 PRO 52 2HB PRO 52 -9.001 -4.761 13.740 403 HB3 PRO 52 1HB PRO 52 -8.286 -6.378 13.783 404 HG2 PRO 52 2HG PRO 52 -7.194 -4.412 15.176 405 HG3 PRO 52 1HG PRO 52 -6.168 -5.569 14.311 406 HD2 PRO 52 2HD PRO 52 -6.838 -2.748 13.616 407 HD3 PRO 52 1HD PRO 52 -5.333 -3.643 13.348 408 H ASP 53 H ASP 53 -8.928 -3.089 11.148 409 HA ASP 53 HA ASP 53 -10.851 -4.607 9.562 410 HB2 ASP 53 2HB ASP 53 -11.694 -3.925 11.949 411 HB3 ASP 53 1HB ASP 53 -11.914 -2.345 11.205 412 H HIS 54 H HIS 54 -8.646 -2.173 9.476 413 HA HIS 54 HA HIS 54 -9.948 -1.158 7.098 414 HD1 HIS 54 1HD HIS 54 -7.315 1.982 8.726 415 HD2 HIS 54 2HD HIS 54 -9.931 0.155 11.386 416 HE1 HIS 54 1HE HIS 54 -6.400 2.479 11.014 417 HE2 HIS 54 2HE HIS 54 -8.091 1.502 12.605 418 HB2 HIS 54 2HB HIS 54 -9.511 1.217 7.655 419 HB3 HIS 54 1HB HIS 54 -10.710 0.462 8.690 420 H VAL 55 H VAL 55 -8.500 0.038 5.634 421 HA VAL 55 HA VAL 55 -5.667 -0.284 6.227 422 HB VAL 55 HB VAL 55 -6.757 -2.265 4.893 423 HG11 VAL 55 1HG1 VAL 55 -7.601 -0.487 3.171 424 HG12 VAL 55 2HG1 VAL 55 -7.039 -2.067 2.633 425 HG13 VAL 55 3HG1 VAL 55 -5.977 -0.665 2.512 426 HG21 VAL 55 3HG2 VAL 55 -4.637 -2.735 3.864 427 HG22 VAL 55 1HG2 VAL 55 -4.369 -1.987 5.437 428 HG23 VAL 55 2HG2 VAL 55 -4.173 -1.035 3.965 429 H LEU 56 H LEU 56 -4.405 1.258 5.372 430 HA LEU 56 HA LEU 56 -5.660 3.223 3.571 431 HG LEU 56 HG LEU 56 -6.391 4.855 5.493 432 HB2 LEU 56 2HB LEU 56 -4.384 3.589 6.129 433 HB3 LEU 56 1HB LEU 56 -3.454 4.422 4.906 434 HD11 LEU 56 1HD1 LEU 56 -4.658 5.606 7.211 435 HD12 LEU 56 2HD1 LEU 56 -5.809 6.807 6.625 436 HD13 LEU 56 3HD1 LEU 56 -4.159 6.789 6.001 437 HD21 LEU 56 3HD2 LEU 56 -5.768 6.999 4.106 438 HD22 LEU 56 1HD2 LEU 56 -6.255 5.514 3.294 439 HD23 LEU 56 2HD2 LEU 56 -4.546 5.937 3.412 440 H MET 57 H MET 57 -4.409 4.036 1.880 441 HA MET 57 HA MET 57 -1.834 2.684 1.452 442 HB2 MET 57 2HB MET 57 -3.766 3.227 -0.783 443 HB3 MET 57 1HB MET 57 -2.364 2.163 -0.781 444 HG2 MET 57 2HG MET 57 -3.494 0.694 0.841 445 HG3 MET 57 1HG MET 57 -4.912 1.742 0.763 446 HE1 MET 57 3HE MET 57 -6.455 1.662 -2.221 447 HE2 MET 57 1HE MET 57 -6.580 1.652 -0.462 448 HE3 MET 57 2HE MET 57 -7.038 0.223 -1.388 449 H ILE 58 H ILE 58 -0.255 4.180 1.432 450 HA ILE 58 HA ILE 58 -0.795 6.722 0.055 451 HB ILE 58 HB ILE 58 1.011 6.355 2.450 452 HG12 ILE 58 2HG1 ILE 58 -1.843 6.657 2.346 453 HG13 ILE 58 1HG1 ILE 58 -0.807 6.503 3.751 454 HG21 ILE 58 1HG2 ILE 58 0.093 8.847 1.028 455 HG22 ILE 58 2HG2 ILE 58 1.702 8.125 0.931 456 HG23 ILE 58 3HG2 ILE 58 1.124 8.789 2.458 457 HD11 ILE 58 3HD1 ILE 58 -0.678 8.783 4.071 458 HD12 ILE 58 1HD1 ILE 58 -2.337 8.567 3.516 459 HD13 ILE 58 2HD1 ILE 58 -1.102 9.153 2.400 460 H LEU 59 H LEU 59 0.751 7.427 -1.359 461 HA LEU 59 HA LEU 59 3.194 5.794 -1.572 462 HG LEU 59 HG LEU 59 1.421 6.922 -5.287 463 HB2 LEU 59 2HB LEU 59 3.093 5.788 -3.900 464 HB3 LEU 59 1HB LEU 59 1.453 5.451 -3.395 465 HD11 LEU 59 1HD1 LEU 59 0.734 8.458 -2.806 466 HD12 LEU 59 2HD1 LEU 59 -0.279 7.227 -3.560 467 HD13 LEU 59 3HD1 LEU 59 0.084 8.723 -4.420 468 HD21 LEU 59 3HD2 LEU 59 2.726 8.703 -5.639 469 HD22 LEU 59 1HD2 LEU 59 3.747 7.994 -4.392 470 HD23 LEU 59 2HD2 LEU 59 2.593 9.259 -3.978 471 H ASN 60 H ASN 60 5.098 6.830 -2.118 472 HA ASN 60 HA ASN 60 4.988 9.776 -2.158 473 HB2 ASN 60 2HB ASN 60 7.164 8.072 -0.913 474 HB3 ASN 60 1HB ASN 60 7.117 9.833 -0.951 475 HD21 ASN 60 1HD2 ASN 60 7.408 9.356 1.410 476 HD22 ASN 60 2HD2 ASN 60 5.972 9.199 2.359 477 H SER 61 H SER 61 5.255 10.179 -4.281 478 HA SER 61 HA SER 61 7.736 9.157 -5.516 479 HG SER 61 HG SER 61 5.823 7.100 -5.325 480 HB2 SER 61 2HB SER 61 5.367 9.102 -7.284 481 HB3 SER 61 1HB SER 61 6.745 8.010 -7.215 482 HA PRO 62 HA PRO 62 8.004 13.330 -7.032 483 HB2 PRO 62 2HB PRO 62 10.015 12.959 -8.773 484 HB3 PRO 62 1HB PRO 62 10.242 12.956 -7.023 485 HG2 PRO 62 2HG PRO 62 9.949 10.617 -8.876 486 HG3 PRO 62 1HG PRO 62 11.153 10.881 -7.598 487 HD2 PRO 62 2HD PRO 62 8.983 9.357 -7.205 488 HD3 PRO 62 1HD PRO 62 9.654 10.369 -5.915 489 H ASP 63 H ASP 63 6.920 10.679 -8.897 490 HA ASP 63 HA ASP 63 5.975 12.569 -10.915 491 HB2 ASP 63 2HB ASP 63 7.844 11.771 -12.080 492 HB3 ASP 63 1HB ASP 63 7.658 10.137 -11.457 493 H GLU 64 H GLU 64 3.971 11.965 -11.889 494 HA GLU 64 HA GLU 64 2.283 10.382 -10.247 495 HB2 GLU 64 2HB GLU 64 1.912 11.611 -12.950 496 HB3 GLU 64 1HB GLU 64 0.818 10.327 -12.470 497 HG2 GLU 64 2HG GLU 64 -0.331 12.094 -11.655 498 HG3 GLU 64 1HG GLU 64 0.671 11.728 -10.245 499 H ASP 65 H ASP 65 3.973 9.481 -13.282 500 HA ASP 65 HA ASP 65 2.877 6.992 -13.728 501 HB2 ASP 65 2HB ASP 65 4.728 8.129 -15.042 502 HB3 ASP 65 1HB ASP 65 5.844 7.552 -13.807 503 H SER 66 H SER 66 5.639 7.777 -11.657 504 HA SER 66 HA SER 66 5.902 5.257 -10.423 505 HG SER 66 HG SER 66 8.656 7.463 -10.228 506 HB2 SER 66 2HB SER 66 6.669 8.041 -9.541 507 HB3 SER 66 1HB SER 66 7.063 6.602 -8.599 508 H LEU 67 H LEU 67 4.487 8.254 -9.292 509 HA LEU 67 HA LEU 67 3.340 7.667 -6.930 510 HG LEU 67 HG LEU 67 1.114 9.387 -6.533 511 HB2 LEU 67 2HB LEU 67 3.201 9.855 -7.786 512 HB3 LEU 67 1HB LEU 67 2.402 9.330 -9.239 513 HD11 LEU 67 1HD1 LEU 67 -0.125 11.263 -8.071 514 HD12 LEU 67 2HD1 LEU 67 1.573 11.455 -8.501 515 HD13 LEU 67 3HD1 LEU 67 1.071 11.580 -6.815 516 HD21 LEU 67 3HD2 LEU 67 -0.184 7.882 -7.692 517 HD22 LEU 67 1HD2 LEU 67 0.162 8.637 -9.248 518 HD23 LEU 67 2HD2 LEU 67 -0.955 9.407 -8.123 519 H ALA 68 H ALA 68 1.537 7.263 -10.000 520 HA ALA 68 HA ALA 68 -0.595 5.869 -8.757 521 HB1 ALA 68 3HB ALA 68 -0.973 5.106 -11.239 522 HB2 ALA 68 1HB ALA 68 0.273 6.305 -11.587 523 HB3 ALA 68 2HB ALA 68 -1.217 6.790 -10.778 524 H HIS 69 H HIS 69 2.400 4.838 -10.305 525 HA HIS 69 HA HIS 69 1.918 2.112 -10.552 526 HD1 HIS 69 1HD HIS 69 3.036 0.212 -9.896 527 HD2 HIS 69 2HD HIS 69 6.471 1.786 -11.626 528 HE1 HIS 69 1HE HIS 69 4.450 -1.774 -10.512 529 HE2 HIS 69 2HE HIS 69 6.484 -0.800 -11.635 530 HB2 HIS 69 2HB HIS 69 3.955 3.361 -11.361 531 HB3 HIS 69 1HB HIS 69 4.551 3.330 -9.706 532 H MET 70 H MET 70 2.884 4.027 -7.777 533 HA MET 70 HA MET 70 3.198 1.747 -6.042 534 HB2 MET 70 2HB MET 70 2.988 4.659 -5.289 535 HB3 MET 70 1HB MET 70 3.674 3.376 -4.307 536 HG2 MET 70 2HG MET 70 4.780 4.485 -6.864 537 HG3 MET 70 1HG MET 70 5.435 4.673 -5.242 538 HE1 MET 70 3HE MET 70 6.668 3.925 -7.874 539 HE2 MET 70 1HE MET 70 6.173 2.347 -8.485 540 HE3 MET 70 2HE MET 70 7.715 2.525 -7.647 541 H GLN 71 H GLN 71 0.851 4.496 -6.042 542 HA GLN 71 HA GLN 71 -0.794 3.457 -4.068 543 HB2 GLN 71 2HB GLN 71 -2.650 4.813 -5.297 544 HB3 GLN 71 1HB GLN 71 -1.340 5.646 -4.487 545 HG2 GLN 71 2HG GLN 71 -0.752 6.632 -6.374 546 HG3 GLN 71 1HG GLN 71 -0.678 5.097 -7.230 547 HE21 GLN 71 1HE2 GLN 71 -2.261 4.574 -8.619 548 HE22 GLN 71 2HE2 GLN 71 -3.660 5.541 -8.920 549 H ASN 72 H ASN 72 -0.603 2.562 -7.428 550 HA ASN 72 HA ASN 72 -3.132 1.167 -7.389 551 HB2 ASN 72 2HB ASN 72 -1.851 2.245 -9.427 552 HB3 ASN 72 1HB ASN 72 -1.075 0.665 -9.496 553 HD21 ASN 72 1HD2 ASN 72 -3.827 2.485 -10.253 554 HD22 ASN 72 2HD2 ASN 72 -4.800 1.203 -10.878 555 H VAL 73 H VAL 73 0.305 0.263 -7.394 556 HA VAL 73 HA VAL 73 0.187 -2.452 -7.546 557 HB VAL 73 HB VAL 73 1.987 -0.620 -6.005 558 HG11 VAL 73 1HG1 VAL 73 3.424 -2.574 -5.442 559 HG12 VAL 73 2HG1 VAL 73 2.086 -3.632 -5.896 560 HG13 VAL 73 3HG1 VAL 73 1.909 -2.515 -4.541 561 HG21 VAL 73 3HG2 VAL 73 1.942 -1.354 -8.591 562 HG22 VAL 73 1HG2 VAL 73 3.002 -2.602 -7.936 563 HG23 VAL 73 2HG2 VAL 73 3.412 -0.899 -7.729 564 H VAL 74 H VAL 74 -0.485 -0.466 -4.701 565 HA VAL 74 HA VAL 74 -0.866 -2.694 -2.949 566 HB VAL 74 HB VAL 74 -1.821 0.149 -2.627 567 HG11 VAL 74 1HG1 VAL 74 -2.253 -0.297 -0.362 568 HG12 VAL 74 2HG1 VAL 74 -1.414 -1.844 -0.417 569 HG13 VAL 74 3HG1 VAL 74 -2.965 -1.654 -1.232 570 HG21 VAL 74 3HG2 VAL 74 0.279 -0.398 -0.853 571 HG22 VAL 74 1HG2 VAL 74 0.309 0.665 -2.258 572 HG23 VAL 74 2HG2 VAL 74 0.797 -1.023 -2.418 573 H ALA 75 H ALA 75 -3.121 -0.529 -4.699 574 HA ALA 75 HA ALA 75 -5.536 -1.446 -3.788 575 HB1 ALA 75 3HB ALA 75 -4.740 -0.618 -6.574 576 HB2 ALA 75 1HB ALA 75 -5.512 0.364 -5.329 577 HB3 ALA 75 2HB ALA 75 -6.406 -0.945 -6.100 578 H ASP 76 H ASP 76 -3.227 -3.033 -5.816 579 HA ASP 76 HA ASP 76 -5.002 -5.112 -6.712 580 HB2 ASP 76 2HB ASP 76 -2.640 -4.181 -7.644 581 HB3 ASP 76 1HB ASP 76 -2.082 -5.595 -6.755 582 H HIS 77 H HIS 77 -2.509 -4.793 -4.209 583 HA HIS 77 HA HIS 77 -2.436 -7.457 -3.384 584 HD1 HIS 77 1HD HIS 77 -0.867 -6.316 -4.741 585 HD2 HIS 77 2HD HIS 77 0.928 -4.687 -1.368 586 HE1 HIS 77 1HE HIS 77 1.424 -5.592 -5.482 587 HE2 HIS 77 2HE HIS 77 2.523 -4.687 -3.403 588 HB2 HIS 77 2HB HIS 77 -2.048 -5.040 -1.614 589 HB3 HIS 77 1HB HIS 77 -1.454 -6.664 -1.318 590 H LEU 78 H LEU 78 -4.584 -4.832 -2.363 591 HA LEU 78 HA LEU 78 -5.886 -6.245 -0.302 592 HG LEU 78 HG LEU 78 -5.025 -3.113 -0.663 593 HB2 LEU 78 2HB LEU 78 -6.809 -3.936 -2.011 594 HB3 LEU 78 1HB LEU 78 -7.687 -4.530 -0.618 595 HD11 LEU 78 1HD1 LEU 78 -6.148 -1.512 0.726 596 HD12 LEU 78 2HD1 LEU 78 -7.593 -2.521 0.793 597 HD13 LEU 78 3HD1 LEU 78 -7.105 -1.779 -0.730 598 HD21 LEU 78 3HD2 LEU 78 -6.337 -4.558 1.639 599 HD22 LEU 78 1HD2 LEU 78 -4.982 -3.442 1.787 600 HD23 LEU 78 2HD2 LEU 78 -4.787 -4.951 0.896 601 H GLN 79 H GLN 79 -6.157 -6.426 -3.738 602 HA GLN 79 HA GLN 79 -8.848 -7.415 -3.757 603 HB2 GLN 79 2HB GLN 79 -8.194 -6.260 -5.699 604 HB3 GLN 79 1HB GLN 79 -6.721 -7.194 -5.864 605 HG2 GLN 79 2HG GLN 79 -8.051 -9.179 -6.414 606 HG3 GLN 79 1HG GLN 79 -9.520 -8.213 -6.279 607 HE21 GLN 79 1HE2 GLN 79 -8.904 -5.927 -7.537 608 HE22 GLN 79 2HE2 GLN 79 -8.538 -6.218 -9.201 609 H ARG 80 H ARG 80 -5.668 -9.017 -4.310 610 HA ARG 80 HA ARG 80 -6.816 -11.572 -4.631 611 HE ARG 80 HE ARG 80 -2.506 -12.563 -4.659 612 HB2 ARG 80 2HB ARG 80 -4.438 -12.357 -3.941 613 HB3 ARG 80 1HB ARG 80 -4.661 -11.495 -5.455 614 HG2 ARG 80 2HG ARG 80 -3.281 -9.893 -4.831 615 HG3 ARG 80 1HG ARG 80 -4.129 -9.658 -3.302 616 HD2 ARG 80 2HD ARG 80 -1.730 -10.306 -3.060 617 HD3 ARG 80 1HD ARG 80 -2.860 -11.391 -2.253 618 HH11 ARG 80 1HH1 ARG 80 -0.283 -11.405 -2.231 619 HH12 ARG 80 2HH1 ARG 80 0.938 -12.571 -2.614 620 HH21 ARG 80 1HH2 ARG 80 -0.901 -14.098 -5.165 621 HH22 ARG 80 2HH2 ARG 80 0.588 -14.099 -4.280 622 H MET 81 H MET 81 -5.909 -9.724 -1.822 623 HA MET 81 HA MET 81 -6.086 -11.968 -0.036 624 HB2 MET 81 2HB MET 81 -5.824 -10.331 1.754 625 HB3 MET 81 1HB MET 81 -4.621 -10.108 0.501 626 HG2 MET 81 2HG MET 81 -5.315 -7.962 1.168 627 HG3 MET 81 1HG MET 81 -6.038 -8.254 -0.409 628 HE1 MET 81 3HE MET 81 -7.893 -5.887 1.950 629 HE2 MET 81 1HE MET 81 -6.250 -6.478 2.196 630 HE3 MET 81 2HE MET 81 -7.524 -6.914 3.336 631 H ALA 82 H ALA 82 -8.350 -9.947 -1.559 632 HA ALA 82 HA ALA 82 -10.378 -10.493 0.515 633 HB1 ALA 82 3HB ALA 82 -9.930 -8.134 -0.483 634 HB2 ALA 82 1HB ALA 82 -11.589 -8.673 -0.233 635 HB3 ALA 82 2HB ALA 82 -10.879 -8.726 -1.847 636 H ASN 83 H ASN 83 -9.792 -10.775 -2.975 637 HA ASN 83 HA ASN 83 -10.695 -12.113 -4.576 638 HB2 ASN 83 2HB ASN 83 -9.887 -13.805 -2.804 639 HB3 ASN 83 1HB ASN 83 -11.590 -13.977 -2.389 640 HD21 ASN 83 1HD2 ASN 83 -13.051 -14.567 -4.158 641 HD22 ASN 83 2HD2 ASN 83 -12.467 -15.629 -5.388 642 H SER 84 H SER 84 -12.375 -11.023 -5.437 643 HA SER 84 HA SER 84 -14.955 -11.936 -5.298 644 HG SER 84 HG SER 84 -17.046 -10.236 -3.619 645 HB2 SER 84 2HB SER 84 -15.300 -11.243 -3.070 646 HB3 SER 84 1HB SER 84 -14.433 -9.727 -3.315 647 H GLU 85 H GLU 85 -14.049 -8.524 -4.990 648 HA GLU 85 HA GLU 85 -14.653 -8.168 -7.854 649 HB2 GLU 85 2HB GLU 85 -15.668 -6.039 -7.365 650 HB3 GLU 85 1HB GLU 85 -16.428 -7.258 -6.352 651 HG2 GLU 85 2HG GLU 85 -14.194 -6.126 -4.967 652 HG3 GLU 85 1HG GLU 85 -15.240 -4.837 -5.561 653 H SER 86 H SER 86 -13.733 -5.936 -8.614 654 HA SER 86 HA SER 86 -10.914 -6.026 -8.137 655 HG SER 86 HG SER 86 -10.564 -4.924 -11.127 656 HB2 SER 86 2HB SER 86 -12.747 -4.484 -9.894 657 HB3 SER 86 1HB SER 86 -11.206 -3.721 -9.507 658 H LEU 87 H LEU 87 -11.272 -5.757 -5.786 659 HA LEU 87 HA LEU 87 -11.700 -4.442 -3.880 660 HG LEU 87 HG LEU 87 -8.304 -4.658 -2.966 661 HB2 LEU 87 2HB LEU 87 -9.089 -4.233 -5.032 662 HB3 LEU 87 1HB LEU 87 -9.502 -2.691 -4.310 663 HD11 LEU 87 1HD1 LEU 87 -9.380 -3.567 -0.892 664 HD12 LEU 87 2HD1 LEU 87 -10.204 -2.533 -2.060 665 HD13 LEU 87 3HD1 LEU 87 -8.442 -2.557 -1.992 666 HD21 LEU 87 3HD2 LEU 87 -11.198 -5.041 -2.226 667 HD22 LEU 87 1HD2 LEU 87 -9.798 -5.866 -1.550 668 HD23 LEU 87 2HD2 LEU 87 -10.277 -6.172 -3.217 669 H GLU 88 H GLU 88 -13.326 -3.051 -3.628 670 HA GLU 88 HA GLU 88 -13.614 -0.709 -5.246 671 HB2 GLU 88 2HB GLU 88 -15.540 -1.830 -4.135 672 HB3 GLU 88 1HB GLU 88 -14.880 -1.367 -2.572 673 HG2 GLU 88 2HG GLU 88 -15.009 1.042 -3.508 674 HG3 GLU 88 1HG GLU 88 -16.125 0.344 -4.680 675 H ILE 89 H ILE 89 -11.836 0.598 -5.114 676 HA ILE 89 HA ILE 89 -11.273 1.724 -2.468 677 HB ILE 89 HB ILE 89 -8.932 1.616 -2.713 678 HG12 ILE 89 2HG1 ILE 89 -9.041 2.226 -5.244 679 HG13 ILE 89 1HG1 ILE 89 -7.704 1.250 -4.663 680 HG21 ILE 89 1HG2 ILE 89 -8.472 -0.786 -3.251 681 HG22 ILE 89 2HG2 ILE 89 -10.169 -0.926 -3.709 682 HG23 ILE 89 3HG2 ILE 89 -9.735 -0.500 -2.055 683 HD11 ILE 89 3HD1 ILE 89 -8.570 0.408 -6.765 684 HD12 ILE 89 1HD1 ILE 89 -10.164 0.204 -6.040 685 HD13 ILE 89 2HD1 ILE 89 -8.803 -0.762 -5.465 686 H ALA 90 H ALA 90 -11.283 3.953 -2.429 687 HA ALA 90 HA ALA 90 -11.467 5.280 -5.034 688 HB1 ALA 90 3HB ALA 90 -11.844 6.611 -2.357 689 HB2 ALA 90 1HB ALA 90 -13.149 5.755 -3.183 690 HB3 ALA 90 2HB ALA 90 -12.394 7.156 -3.940 691 H TRP 91 H TRP 91 -9.605 5.840 -5.881 692 HA TRP 91 HA TRP 91 -7.368 6.563 -4.155 693 HD1 TRP 91 HD TRP 91 -9.052 4.553 -7.614 694 HE1 TRP 91 1HE TRP 91 -9.470 5.392 -10.011 695 HE3 TRP 91 3HE TRP 91 -5.619 8.338 -7.759 696 HZ2 TRP 91 2HZ TRP 91 -8.475 7.393 -11.735 697 HZ3 TRP 91 3HZ TRP 91 -5.414 9.667 -9.819 698 HH2 TRP 91 HH TRP 91 -6.814 9.203 -11.766 699 HB2 TRP 91 2HB TRP 91 -6.005 6.420 -6.192 700 HB3 TRP 91 1HB TRP 91 -6.941 4.948 -5.944 701 H GLN 92 H GLN 92 -6.580 8.554 -3.942 702 HA GLN 92 HA GLN 92 -8.038 10.735 -5.200 703 HB2 GLN 92 2HB GLN 92 -5.909 10.706 -3.054 704 HB3 GLN 92 1HB GLN 92 -6.683 12.165 -3.656 705 HG2 GLN 92 2HG GLN 92 -8.796 11.496 -2.802 706 HG3 GLN 92 1HG GLN 92 -8.198 9.880 -2.425 707 HE21 GLN 92 1HE2 GLN 92 -8.735 10.021 -0.266 708 HE22 GLN 92 2HE2 GLN 92 -7.883 11.034 0.844 709 HA PRO 93 HA PRO 93 -5.293 11.860 -8.439 710 HB2 PRO 93 2HB PRO 93 -5.105 14.511 -7.096 711 HB3 PRO 93 1HB PRO 93 -5.456 14.132 -8.786 712 HG2 PRO 93 2HG PRO 93 -7.410 14.851 -7.121 713 HG3 PRO 93 1HG PRO 93 -7.668 13.594 -8.345 714 HD2 PRO 93 2HD PRO 93 -7.319 13.332 -5.404 715 HD3 PRO 93 1HD PRO 93 -8.254 12.325 -6.527 716 H ALA 94 H ALA 94 -4.366 12.980 -5.202 717 HA ALA 94 HA ALA 94 -2.364 12.422 -4.110 718 HB1 ALA 94 3HB ALA 94 -0.517 11.511 -5.136 719 HB2 ALA 94 1HB ALA 94 -0.798 12.381 -6.641 720 HB3 ALA 94 2HB ALA 94 -1.792 10.985 -6.236 721 H GLU 95 H GLU 95 -3.539 14.923 -4.769 722 HA GLU 95 HA GLU 95 -1.134 16.597 -4.667 723 HB2 GLU 95 2HB GLU 95 -3.469 16.903 -6.529 724 HB3 GLU 95 1HB GLU 95 -2.553 18.313 -6.016 725 HG2 GLU 95 2HG GLU 95 -0.558 17.478 -6.997 726 HG3 GLU 95 1HG GLU 95 -1.296 15.905 -7.299 727 H SER 96 H SER 96 -2.587 15.741 -2.477 728 HA SER 96 HA SER 96 -3.677 18.289 -1.526 729 HG SER 96 HG SER 96 -4.367 14.878 -0.904 730 HB2 SER 96 2HB SER 96 -5.442 16.926 -0.265 731 HB3 SER 96 1HB SER 96 -5.686 17.127 -2.001 Start of MODEL 18 1 HA MET 1 HA MET 1 6.796 13.196 -4.952 2 HB2 MET 1 2HB MET 1 7.359 12.847 -2.646 3 HB3 MET 1 1HB MET 1 8.729 13.596 -3.457 4 HG2 MET 1 2HG MET 1 8.684 15.377 -2.121 5 HG3 MET 1 1HG MET 1 6.936 15.540 -2.244 6 HE1 MET 1 3HE MET 1 9.490 15.469 0.227 7 HE2 MET 1 1HE MET 1 9.921 13.868 -0.374 8 HE3 MET 1 2HE MET 1 9.285 14.055 1.260 9 H PHE 2 H PHE 2 4.750 13.530 -5.557 10 HA PHE 2 HA PHE 2 2.936 15.167 -3.994 11 HD1 PHE 2 2HD PHE 2 3.475 16.619 -6.280 12 HD2 PHE 2 1HD PHE 2 2.848 12.781 -8.020 13 HE1 PHE 2 2HE PHE 2 4.799 17.294 -8.240 14 HE2 PHE 2 1HE PHE 2 4.164 13.456 -9.982 15 HZ PHE 2 HZ PHE 2 5.144 15.712 -10.095 16 HB2 PHE 2 2HB PHE 2 1.861 13.263 -6.013 17 HB3 PHE 2 1HB PHE 2 1.440 14.946 -5.731 18 H ARG 3 H ARG 3 0.748 13.998 -3.294 19 HA ARG 3 HA ARG 3 1.287 11.255 -2.507 20 HE ARG 3 HE ARG 3 4.402 10.631 1.614 21 HB2 ARG 3 2HB ARG 3 1.806 13.331 -0.682 22 HB3 ARG 3 1HB ARG 3 0.304 12.583 -0.148 23 HG2 ARG 3 2HG ARG 3 1.590 11.076 0.849 24 HG3 ARG 3 1HG ARG 3 1.882 10.429 -0.750 25 HD2 ARG 3 2HD ARG 3 4.030 10.970 -0.624 26 HD3 ARG 3 1HD ARG 3 3.625 12.651 -0.286 27 HH11 ARG 3 1HH1 ARG 3 2.780 13.690 1.169 28 HH12 ARG 3 2HH1 ARG 3 3.004 14.189 2.812 29 HH21 ARG 3 1HH2 ARG 3 4.696 11.286 3.775 30 HH22 ARG 3 2HH2 ARG 3 4.092 12.826 4.291 31 H SER 4 H SER 4 -0.421 10.042 -2.711 32 HA SER 4 HA SER 4 -3.120 11.210 -2.602 33 HG SER 4 HG SER 4 -4.478 8.870 -4.557 34 HB2 SER 4 2HB SER 4 -3.109 10.426 -4.773 35 HB3 SER 4 1HB SER 4 -1.836 9.245 -4.447 36 H THR 5 H THR 5 -4.805 9.552 -1.867 37 HA THR 5 HA THR 5 -3.667 7.453 -0.217 38 HB THR 5 HB THR 5 -4.723 8.130 1.832 39 HG1 THR 5 1HG THR 5 -5.697 10.412 0.470 40 HG21 THR 5 3HG2 THR 5 -2.542 9.350 1.092 41 HG22 THR 5 1HG2 THR 5 -3.444 9.907 2.497 42 HG23 THR 5 2HG2 THR 5 -3.604 10.751 0.960 43 H SER 6 H SER 6 -4.777 5.651 -0.334 44 HA SER 6 HA SER 6 -7.586 5.795 -1.227 45 HG SER 6 HG SER 6 -7.485 3.123 -3.168 46 HB2 SER 6 2HB SER 6 -5.997 4.578 -2.726 47 HB3 SER 6 1HB SER 6 -5.698 3.435 -1.417 48 H HIS 7 H HIS 7 -9.153 5.116 0.116 49 HA HIS 7 HA HIS 7 -8.347 3.657 2.554 50 HD1 HIS 7 1HD HIS 7 -10.070 6.750 5.054 51 HD2 HIS 7 2HD HIS 7 -10.120 2.645 4.408 52 HE1 HIS 7 1HE HIS 7 -10.325 5.712 7.330 53 HE2 HIS 7 2HE HIS 7 -10.445 3.233 6.904 54 HB2 HIS 7 2HB HIS 7 -9.327 6.061 2.692 55 HB3 HIS 7 1HB HIS 7 -10.866 5.281 2.353 56 H VAL 8 H VAL 8 -9.234 1.701 2.948 57 HA VAL 8 HA VAL 8 -11.731 0.960 1.596 58 HB VAL 8 HB VAL 8 -9.483 -1.025 1.673 59 HG11 VAL 8 1HG1 VAL 8 -10.694 -2.093 -0.099 60 HG12 VAL 8 2HG1 VAL 8 -11.799 -0.727 -0.232 61 HG13 VAL 8 3HG1 VAL 8 -11.817 -1.738 1.212 62 HG21 VAL 8 3HG2 VAL 8 -8.676 1.035 0.503 63 HG22 VAL 8 1HG2 VAL 8 -9.981 0.814 -0.661 64 HG23 VAL 8 2HG2 VAL 8 -8.723 -0.410 -0.503 65 H ARG 9 H ARG 9 -12.864 -0.822 2.614 66 HA ARG 9 HA ARG 9 -12.084 -1.107 5.428 67 HE ARG 9 HE ARG 9 -15.467 0.542 3.583 68 HB2 ARG 9 2HB ARG 9 -14.700 -1.248 4.015 69 HB3 ARG 9 1HB ARG 9 -14.490 -2.243 5.447 70 HG2 ARG 9 2HG ARG 9 -15.482 -0.173 6.100 71 HG3 ARG 9 1HG ARG 9 -13.823 -0.216 6.703 72 HD2 ARG 9 2HD ARG 9 -14.514 1.968 5.700 73 HD3 ARG 9 1HD ARG 9 -13.075 1.248 4.981 74 HH11 ARG 9 1HH1 ARG 9 -13.060 3.040 3.965 75 HH12 ARG 9 2HH1 ARG 9 -13.304 3.692 2.379 76 HH21 ARG 9 1HH2 ARG 9 -15.789 1.399 1.497 77 HH22 ARG 9 2HH2 ARG 9 -14.854 2.761 0.978 78 H THR 10 H THR 10 -10.752 -2.783 5.715 79 HA THR 10 HA THR 10 -11.555 -5.391 4.618 80 HB THR 10 HB THR 10 -9.300 -3.941 3.845 81 HG1 THR 10 1HG THR 10 -10.477 -5.683 2.775 82 HG21 THR 10 3HG2 THR 10 -8.412 -4.980 6.116 83 HG22 THR 10 1HG2 THR 10 -7.408 -4.854 4.666 84 HG23 THR 10 2HG2 THR 10 -8.187 -6.386 5.069 85 H GLU 11 H GLU 11 -10.794 -7.263 5.852 86 HA GLU 11 HA GLU 11 -10.475 -6.593 8.700 87 HB2 GLU 11 2HB GLU 11 -12.153 -8.435 7.328 88 HB3 GLU 11 1HB GLU 11 -11.047 -9.360 8.335 89 HG2 GLU 11 2HG GLU 11 -12.126 -8.796 10.184 90 HG3 GLU 11 1HG GLU 11 -12.100 -7.086 9.755 91 H SER 12 H SER 12 -8.870 -7.559 9.969 92 HA SER 12 HA SER 12 -6.834 -8.425 10.456 93 HG SER 12 HG SER 12 -5.486 -10.681 8.336 94 HB2 SER 12 2HB SER 12 -7.775 -10.554 9.924 95 HB3 SER 12 1HB SER 12 -7.586 -10.275 8.191 96 H ALA 13 H ALA 13 -7.141 -6.282 8.441 97 HA ALA 13 HA ALA 13 -5.385 -6.384 6.315 98 HB1 ALA 13 3HB ALA 13 -6.887 -4.490 6.905 99 HB2 ALA 13 1HB ALA 13 -5.267 -4.017 6.402 100 HB3 ALA 13 2HB ALA 13 -5.695 -4.024 8.105 101 H ALA 14 H ALA 14 -4.559 -5.265 9.581 102 HA ALA 14 HA ALA 14 -1.959 -4.564 9.313 103 HB1 ALA 14 3HB ALA 14 -3.029 -6.184 11.614 104 HB2 ALA 14 1HB ALA 14 -3.241 -4.446 11.391 105 HB3 ALA 14 2HB ALA 14 -1.627 -5.114 11.636 106 H ARG 15 H ARG 15 -3.082 -7.850 8.990 107 HA ARG 15 HA ARG 15 -0.498 -9.028 9.441 108 HE ARG 15 HE ARG 15 0.860 -13.440 8.780 109 HB2 ARG 15 2HB ARG 15 -2.919 -10.070 9.610 110 HB3 ARG 15 1HB ARG 15 -2.632 -10.436 7.918 111 HG2 ARG 15 2HG ARG 15 -1.310 -11.523 10.340 112 HG3 ARG 15 1HG ARG 15 -1.909 -12.353 8.906 113 HD2 ARG 15 2HD ARG 15 -0.019 -11.643 7.618 114 HD3 ARG 15 1HD ARG 15 0.519 -10.566 8.903 115 HH11 ARG 15 1HH1 ARG 15 0.993 -10.564 10.758 116 HH12 ARG 15 2HH1 ARG 15 2.051 -11.273 11.930 117 HH21 ARG 15 1HH2 ARG 15 2.248 -14.369 10.324 118 HH22 ARG 15 2HH2 ARG 15 2.764 -13.430 11.685 119 H TYR 16 H TYR 16 -2.403 -8.242 6.540 120 HA TYR 16 HA TYR 16 -0.525 -9.409 4.776 121 HD1 TYR 16 1HD TYR 16 -2.205 -10.802 4.684 122 HD2 TYR 16 2HD TYR 16 -4.625 -7.547 3.378 123 HE1 TYR 16 1HE TYR 16 -4.181 -12.240 4.770 124 HE2 TYR 16 2HE TYR 16 -6.609 -8.988 3.471 125 HH TYR 16 HH TYR 16 -6.656 -12.058 3.385 126 HB2 TYR 16 2HB TYR 16 -2.406 -7.125 4.131 127 HB3 TYR 16 1HB TYR 16 -1.631 -8.205 2.983 128 H VAL 17 H VAL 17 -0.831 -6.205 6.200 129 HA VAL 17 HA VAL 17 1.223 -4.960 4.716 130 HB VAL 17 HB VAL 17 0.038 -4.397 7.410 131 HG11 VAL 17 1HG1 VAL 17 2.748 -3.625 6.590 132 HG12 VAL 17 2HG1 VAL 17 1.991 -3.574 8.184 133 HG13 VAL 17 3HG1 VAL 17 1.717 -2.270 7.036 134 HG21 VAL 17 3HG2 VAL 17 -0.563 -2.321 6.397 135 HG22 VAL 17 1HG2 VAL 17 -1.002 -3.630 5.298 136 HG23 VAL 17 2HG2 VAL 17 0.443 -2.665 4.993 137 H ASN 18 H ASN 18 1.265 -6.848 7.704 138 HA ASN 18 HA ASN 18 4.089 -6.671 8.024 139 HB2 ASN 18 2HB ASN 18 2.185 -8.702 9.201 140 HB3 ASN 18 1HB ASN 18 3.809 -8.335 9.775 141 HD21 ASN 18 1HD2 ASN 18 1.345 -8.207 11.242 142 HD22 ASN 18 2HD2 ASN 18 1.158 -6.571 11.768 143 H ARG 19 H ARG 19 1.931 -8.907 6.335 144 HA ARG 19 HA ARG 19 4.020 -10.854 5.952 145 HE ARG 19 HE ARG 19 2.516 -15.215 5.881 146 HB2 ARG 19 2HB ARG 19 1.306 -10.994 5.967 147 HB3 ARG 19 1HB ARG 19 1.636 -11.015 4.239 148 HG2 ARG 19 2HG ARG 19 2.133 -13.162 4.369 149 HG3 ARG 19 1HG ARG 19 3.464 -12.777 5.460 150 HD2 ARG 19 2HD ARG 19 2.128 -13.075 7.368 151 HD3 ARG 19 1HD ARG 19 0.638 -13.060 6.424 152 HH11 ARG 19 1HH1 ARG 19 -0.410 -14.190 7.496 153 HH12 ARG 19 2HH1 ARG 19 -0.995 -15.803 7.718 154 HH21 ARG 19 1HH2 ARG 19 1.740 -17.331 6.176 155 HH22 ARG 19 2HH2 ARG 19 0.223 -17.584 6.971 156 H LEU 20 H LEU 20 2.938 -8.058 4.226 157 HA LEU 20 HA LEU 20 3.762 -8.858 1.637 158 HG LEU 20 HG LEU 20 1.268 -6.991 2.787 159 HB2 LEU 20 2HB LEU 20 3.438 -6.105 2.816 160 HB3 LEU 20 1HB LEU 20 3.700 -6.429 1.116 161 HD11 LEU 20 1HD1 LEU 20 2.041 -5.216 0.579 162 HD12 LEU 20 2HD1 LEU 20 0.794 -5.015 1.812 163 HD13 LEU 20 3HD1 LEU 20 0.471 -5.993 0.381 164 HD21 LEU 20 3HD2 LEU 20 0.355 -8.120 0.699 165 HD22 LEU 20 1HD2 LEU 20 1.485 -9.061 1.668 166 HD23 LEU 20 2HD2 LEU 20 2.027 -8.294 0.175 167 H CYS 21 H CYS 21 5.373 -6.932 4.160 168 HA CYS 21 HA CYS 21 7.688 -6.313 2.740 169 HG CYS 21 HG CYS 21 8.062 -7.393 6.840 170 HB2 CYS 21 2HB CYS 21 8.778 -6.053 4.938 171 HB3 CYS 21 1HB CYS 21 7.181 -5.313 4.916 172 H LYS 22 H LYS 22 6.859 -9.181 4.603 173 HA LYS 22 HA LYS 22 9.410 -10.439 4.199 174 HB2 LYS 22 2HB LYS 22 6.779 -11.600 5.131 175 HB3 LYS 22 1HB LYS 22 8.334 -12.419 5.196 176 HG2 LYS 22 2HG LYS 22 8.946 -11.360 7.068 177 HG3 LYS 22 1HG LYS 22 8.328 -9.804 6.510 178 HD2 LYS 22 2HD LYS 22 7.014 -10.375 8.386 179 HD3 LYS 22 1HD LYS 22 6.008 -10.726 6.979 180 HE2 LYS 22 2HE LYS 22 5.754 -12.566 8.418 181 HE3 LYS 22 1HE LYS 22 6.843 -13.100 7.137 182 HZ1 LYS 22 3HZ LYS 22 7.377 -12.659 9.969 183 HZ2 LYS 22 1HZ LYS 22 8.612 -12.234 8.892 184 HZ3 LYS 22 2HZ LYS 22 8.017 -13.817 8.915 185 H HIS 23 H HIS 23 6.505 -10.117 2.421 186 HA HIS 23 HA HIS 23 6.887 -12.490 0.820 187 HD1 HIS 23 1HD HIS 23 5.370 -11.114 -2.269 188 HD2 HIS 23 2HD HIS 23 3.533 -13.752 0.362 189 HE1 HIS 23 1HE HIS 23 4.281 -12.858 -3.717 190 HE2 HIS 23 2HE HIS 23 3.254 -14.495 -2.099 191 HB2 HIS 23 2HB HIS 23 4.629 -11.503 1.429 192 HB3 HIS 23 1HB HIS 23 4.971 -10.230 0.263 193 H TRP 24 H TRP 24 6.637 -9.010 -0.063 194 HA TRP 24 HA TRP 24 8.025 -9.560 -2.545 195 HD1 TRP 24 HD TRP 24 4.441 -6.777 -1.659 196 HE1 TRP 24 1HE TRP 24 2.654 -7.903 -3.131 197 HE3 TRP 24 3HE TRP 24 7.475 -9.803 -4.448 198 HZ2 TRP 24 2HZ TRP 24 2.546 -9.820 -5.200 199 HZ3 TRP 24 3HZ TRP 24 6.450 -11.251 -6.153 200 HH2 TRP 24 HH TRP 24 4.036 -11.259 -6.519 201 HB2 TRP 24 2HB TRP 24 6.964 -6.996 -1.350 202 HB3 TRP 24 1HB TRP 24 7.709 -7.117 -2.941 203 H GLY 25 H GLY 25 9.043 -8.869 0.622 204 HA2 GLY 25 2HA GLY 25 11.229 -7.143 0.058 205 HA3 GLY 25 1HA GLY 25 11.028 -8.116 1.503 206 H HIS 26 H HIS 26 11.750 -8.561 -1.954 207 HA HIS 26 HA HIS 26 13.725 -10.601 -1.178 208 HD1 HIS 26 1HD HIS 26 11.489 -13.359 -3.173 209 HD2 HIS 26 2HD HIS 26 15.442 -12.091 -2.986 210 HE1 HIS 26 1HE HIS 26 12.870 -15.460 -3.173 211 HE2 HIS 26 2HE HIS 26 15.261 -14.666 -3.143 212 HB2 HIS 26 2HB HIS 26 11.660 -10.904 -2.918 213 HB3 HIS 26 1HB HIS 26 12.936 -10.394 -4.019 214 H LYS 27 H LYS 27 13.177 -7.625 -2.908 215 HA LYS 27 HA LYS 27 16.046 -7.136 -2.997 216 HB2 LYS 27 2HB LYS 27 15.758 -8.293 -5.100 217 HB3 LYS 27 1HB LYS 27 14.349 -7.326 -5.499 218 HG2 LYS 27 2HG LYS 27 16.702 -5.680 -5.055 219 HG3 LYS 27 1HG LYS 27 16.950 -6.883 -6.321 220 HD2 LYS 27 2HD LYS 27 14.444 -5.257 -6.297 221 HD3 LYS 27 1HD LYS 27 15.938 -4.546 -6.905 222 HE2 LYS 27 2HE LYS 27 15.724 -7.119 -8.047 223 HE3 LYS 27 1HE LYS 27 14.142 -6.355 -8.201 224 HZ1 LYS 27 3HZ LYS 27 15.280 -4.414 -9.185 225 HZ2 LYS 27 1HZ LYS 27 15.454 -5.823 -10.108 226 HZ3 LYS 27 2HZ LYS 27 16.737 -5.273 -9.152 227 H PHE 28 H PHE 28 13.677 -6.040 -1.666 228 HA PHE 28 HA PHE 28 13.997 -3.263 -2.518 229 HD1 PHE 28 1HD PHE 28 12.124 -5.279 -4.748 230 HD2 PHE 28 2HD PHE 28 11.460 -1.326 -3.313 231 HE1 PHE 28 1HE PHE 28 11.894 -4.480 -7.064 232 HE2 PHE 28 2HE PHE 28 11.222 -0.527 -5.619 233 HZ PHE 28 HZ PHE 28 11.441 -2.099 -7.503 234 HB2 PHE 28 2HB PHE 28 11.463 -4.816 -2.403 235 HB3 PHE 28 1HB PHE 28 11.416 -3.156 -1.819 236 H GLU 29 H GLU 29 13.734 -1.730 -0.866 237 HA GLU 29 HA GLU 29 14.340 -2.697 1.763 238 HB2 GLU 29 2HB GLU 29 14.039 -0.180 2.324 239 HB3 GLU 29 1HB GLU 29 15.391 -0.668 1.312 240 HG2 GLU 29 2HG GLU 29 12.913 0.023 -0.113 241 HG3 GLU 29 1HG GLU 29 13.719 1.348 0.728 242 H VAL 30 H VAL 30 12.587 -3.914 2.443 243 HA VAL 30 HA VAL 30 10.017 -2.520 2.682 244 HB VAL 30 HB VAL 30 9.277 -4.945 3.386 245 HG11 VAL 30 1HG1 VAL 30 9.783 -3.926 0.612 246 HG12 VAL 30 2HG1 VAL 30 8.270 -3.994 1.516 247 HG13 VAL 30 3HG1 VAL 30 8.992 -5.475 0.901 248 HG21 VAL 30 3HG2 VAL 30 10.546 -6.717 2.698 249 HG22 VAL 30 1HG2 VAL 30 11.814 -5.593 3.185 250 HG23 VAL 30 2HG2 VAL 30 11.406 -5.776 1.478 251 H GLU 31 H GLU 31 9.601 -1.600 4.581 252 HA GLU 31 HA GLU 31 10.866 -2.656 6.999 253 HB2 GLU 31 2HB GLU 31 10.304 -0.054 6.091 254 HB3 GLU 31 1HB GLU 31 9.212 -0.327 7.442 255 HG2 GLU 31 2HG GLU 31 11.013 -0.765 8.920 256 HG3 GLU 31 1HG GLU 31 12.168 -0.841 7.590 257 H LEU 32 H LEU 32 9.563 -2.962 8.943 258 HA LEU 32 HA LEU 32 6.715 -3.464 8.419 259 HG LEU 32 HG LEU 32 5.876 -6.081 8.474 260 HB2 LEU 32 2HB LEU 32 8.163 -5.545 8.189 261 HB3 LEU 32 1HB LEU 32 8.442 -5.430 9.912 262 HD11 LEU 32 1HD1 LEU 32 6.929 -8.057 8.892 263 HD12 LEU 32 2HD1 LEU 32 6.044 -7.862 10.406 264 HD13 LEU 32 3HD1 LEU 32 7.756 -7.447 10.325 265 HD21 LEU 32 3HD2 LEU 32 6.221 -5.128 11.313 266 HD22 LEU 32 1HD2 LEU 32 4.838 -6.082 10.782 267 HD23 LEU 32 2HD2 LEU 32 5.135 -4.494 10.077 268 H THR 33 H THR 33 5.707 -2.129 9.770 269 HA THR 33 HA THR 33 6.549 -2.158 12.614 270 HB THR 33 HB THR 33 5.352 0.242 12.451 271 HG1 THR 33 1HG THR 33 6.597 -0.075 9.923 272 HG21 THR 33 3HG2 THR 33 8.198 -0.501 12.012 273 HG22 THR 33 1HG2 THR 33 7.443 0.338 13.368 274 HG23 THR 33 2HG2 THR 33 7.705 1.183 11.841 275 HA PRO 34 HA PRO 34 2.369 -3.351 13.343 276 HB2 PRO 34 2HB PRO 34 2.269 -1.827 15.823 277 HB3 PRO 34 1HB PRO 34 2.306 -3.572 15.581 278 HG2 PRO 34 2HG PRO 34 4.385 -2.197 16.613 279 HG3 PRO 34 1HG PRO 34 4.597 -3.671 15.660 280 HD2 PRO 34 2HD PRO 34 4.913 -0.806 14.823 281 HD3 PRO 34 1HD PRO 34 5.919 -2.217 14.424 282 H GLU 35 H GLU 35 2.420 -1.303 11.599 283 HA GLU 35 HA GLU 35 -0.032 0.059 12.114 284 HB2 GLU 35 2HB GLU 35 2.560 1.613 12.028 285 HB3 GLU 35 1HB GLU 35 0.979 2.350 11.789 286 HG2 GLU 35 2HG GLU 35 0.399 1.318 14.072 287 HG3 GLU 35 1HG GLU 35 2.142 1.133 14.259 288 H ARG 36 H ARG 36 2.871 -0.278 10.097 289 HA ARG 36 HA ARG 36 1.324 -0.603 7.748 290 HE ARG 36 HE ARG 36 4.040 5.108 7.426 291 HB2 ARG 36 2HB ARG 36 2.389 1.446 6.599 292 HB3 ARG 36 1HB ARG 36 0.995 1.711 7.631 293 HG2 ARG 36 2HG ARG 36 2.618 2.249 9.486 294 HG3 ARG 36 1HG ARG 36 3.887 2.235 8.261 295 HD2 ARG 36 2HD ARG 36 2.169 3.872 7.052 296 HD3 ARG 36 1HD ARG 36 1.703 4.179 8.724 297 HH11 ARG 36 1HH1 ARG 36 2.885 3.938 10.503 298 HH12 ARG 36 2HH1 ARG 36 4.077 4.797 11.418 299 HH21 ARG 36 1HH2 ARG 36 5.609 6.240 8.627 300 HH22 ARG 36 2HH2 ARG 36 5.624 6.105 10.354 301 H GLY 37 H GLY 37 2.673 -0.593 5.763 302 HA2 GLY 37 2HA GLY 37 5.350 -1.664 6.391 303 HA3 GLY 37 1HA GLY 37 4.361 -2.202 5.036 304 H PHE 38 H PHE 38 7.120 -0.901 5.155 305 HA PHE 38 HA PHE 38 6.522 1.382 3.377 306 HD1 PHE 38 2HD PHE 38 7.221 3.921 3.728 307 HD2 PHE 38 1HD PHE 38 10.827 1.685 4.124 308 HE1 PHE 38 2HE PHE 38 8.466 5.741 2.659 309 HE2 PHE 38 1HE PHE 38 12.071 3.501 3.033 310 HZ PHE 38 HZ PHE 38 10.892 5.531 2.295 311 HB2 PHE 38 2HB PHE 38 7.586 2.040 5.493 312 HB3 PHE 38 1HB PHE 38 8.906 0.925 5.185 313 H ILE 39 H ILE 39 6.863 0.835 1.336 314 HA ILE 39 HA ILE 39 9.238 -0.830 0.728 315 HB ILE 39 HB ILE 39 6.784 -0.985 -1.000 316 HG12 ILE 39 2HG1 ILE 39 7.274 -2.465 1.582 317 HG13 ILE 39 1HG1 ILE 39 5.784 -1.733 0.995 318 HG21 ILE 39 1HG2 ILE 39 9.367 -1.975 -1.192 319 HG22 ILE 39 2HG2 ILE 39 7.976 -2.472 -2.153 320 HG23 ILE 39 3HG2 ILE 39 8.409 -3.369 -0.698 321 HD11 ILE 39 3HD1 ILE 39 7.044 -4.215 -0.143 322 HD12 ILE 39 1HD1 ILE 39 5.495 -3.511 -0.604 323 HD13 ILE 39 2HD1 ILE 39 5.713 -4.181 1.011 324 H ASP 40 H ASP 40 10.601 0.715 -0.115 325 HA ASP 40 HA ASP 40 9.456 2.437 -2.210 326 HB2 ASP 40 2HB ASP 40 11.287 4.057 -1.634 327 HB3 ASP 40 1HB ASP 40 10.074 3.826 -0.377 328 H PHE 41 H PHE 41 10.473 2.720 -4.073 329 HA PHE 41 HA PHE 41 12.491 0.766 -4.819 330 HD1 PHE 41 1HD PHE 41 13.869 0.724 -6.620 331 HD2 PHE 41 2HD PHE 41 9.991 0.848 -8.370 332 HE1 PHE 41 1HE PHE 41 14.605 -0.854 -8.351 333 HE2 PHE 41 2HE PHE 41 10.723 -0.735 -10.105 334 HZ PHE 41 HZ PHE 41 13.033 -1.587 -10.098 335 HB2 PHE 41 2HB PHE 41 10.355 1.681 -6.158 336 HB3 PHE 41 1HB PHE 41 11.528 2.864 -6.716 337 H GLY 42 H GLY 42 12.450 3.831 -3.544 338 HA2 GLY 42 2HA GLY 42 14.860 4.566 -3.132 339 HA3 GLY 42 1HA GLY 42 14.932 4.668 -4.887 340 H ASP 43 H ASP 43 14.010 6.406 -5.932 341 HA ASP 43 HA ASP 43 13.607 8.773 -4.415 342 HB2 ASP 43 2HB ASP 43 14.410 8.542 -6.860 343 HB3 ASP 43 1HB ASP 43 12.702 8.416 -7.269 344 H SER 44 H SER 44 11.537 6.303 -5.678 345 HA SER 44 HA SER 44 9.130 7.768 -4.842 346 HG SER 44 HG SER 44 10.234 6.775 -7.751 347 HB2 SER 44 2HB SER 44 8.418 5.348 -6.140 348 HB3 SER 44 1HB SER 44 8.281 6.988 -6.775 349 H ASN 45 H ASN 45 7.387 6.251 -3.776 350 HA ASN 45 HA ASN 45 8.542 4.017 -2.335 351 HB2 ASN 45 2HB ASN 45 7.276 6.069 -0.579 352 HB3 ASN 45 1HB ASN 45 8.502 4.870 -0.191 353 HD21 ASN 45 1HD2 ASN 45 10.404 5.686 0.246 354 HD22 ASN 45 2HD2 ASN 45 11.066 7.147 -0.396 355 H CYS 46 H CYS 46 6.867 3.029 -0.803 356 HA CYS 46 HA CYS 46 4.121 3.652 -1.485 357 HG CYS 46 HG CYS 46 6.317 0.651 -3.366 358 HB2 CYS 46 2HB CYS 46 4.467 0.794 -1.787 359 HB3 CYS 46 1HB CYS 46 3.685 1.949 -2.858 360 H GLU 47 H GLU 47 3.474 3.951 0.560 361 HA GLU 47 HA GLU 47 4.186 1.977 2.596 362 HB2 GLU 47 2HB GLU 47 4.331 4.636 2.730 363 HB3 GLU 47 1HB GLU 47 2.660 4.461 3.243 364 HG2 GLU 47 2HG GLU 47 3.234 3.588 5.255 365 HG3 GLU 47 1HG GLU 47 4.668 2.774 4.629 366 H LEU 48 H LEU 48 2.503 1.113 4.016 367 HA LEU 48 HA LEU 48 -0.224 1.335 2.962 368 HG LEU 48 HG LEU 48 -0.891 -1.980 3.879 369 HB2 LEU 48 2HB LEU 48 0.718 -0.573 1.781 370 HB3 LEU 48 1HB LEU 48 1.249 -1.293 3.286 371 HD11 LEU 48 1HD1 LEU 48 -2.908 -1.158 2.479 372 HD12 LEU 48 2HD1 LEU 48 -1.856 0.194 2.068 373 HD13 LEU 48 3HD1 LEU 48 -2.262 -0.127 3.755 374 HD21 LEU 48 3HD2 LEU 48 -0.451 -2.196 0.933 375 HD22 LEU 48 1HD2 LEU 48 -1.914 -2.853 1.664 376 HD23 LEU 48 2HD2 LEU 48 -0.333 -3.434 2.182 377 H LEU 49 H LEU 49 -1.594 1.694 4.563 378 HA LEU 49 HA LEU 49 -0.801 0.993 7.306 379 HG LEU 49 HG LEU 49 -2.018 1.930 9.069 380 HB2 LEU 49 2HB LEU 49 -1.724 3.320 6.556 381 HB3 LEU 49 1HB LEU 49 -3.279 2.515 6.605 382 HD11 LEU 49 1HD1 LEU 49 -2.176 4.810 9.191 383 HD12 LEU 49 2HD1 LEU 49 -0.922 4.282 8.068 384 HD13 LEU 49 3HD1 LEU 49 -0.900 3.724 9.742 385 HD21 LEU 49 3HD2 LEU 49 -3.883 3.293 9.963 386 HD22 LEU 49 1HD2 LEU 49 -4.399 2.106 8.764 387 HD23 LEU 49 2HD2 LEU 49 -4.257 3.806 8.318 388 H ALA 50 H ALA 50 -1.798 -0.616 8.427 389 HA ALA 50 HA ALA 50 -4.308 -1.658 7.360 390 HB1 ALA 50 3HB ALA 50 -1.868 -3.368 7.752 391 HB2 ALA 50 1HB ALA 50 -2.551 -2.864 6.207 392 HB3 ALA 50 2HB ALA 50 -3.468 -3.921 7.265 393 H HIS 51 H HIS 51 -5.670 -1.691 8.974 394 HA HIS 51 HA HIS 51 -4.748 -2.576 11.592 395 HD1 HIS 51 1HD HIS 51 -7.754 -0.108 13.746 396 HD2 HIS 51 2HD HIS 51 -3.818 -1.358 13.263 397 HE1 HIS 51 1HE HIS 51 -6.689 0.134 16.008 398 HE2 HIS 51 2HE HIS 51 -4.334 -0.708 15.711 399 HB2 HIS 51 2HB HIS 51 -5.969 -0.180 10.998 400 HB3 HIS 51 1HB HIS 51 -7.335 -1.169 11.493 401 HA PRO 52 HA PRO 52 -7.234 -6.184 11.736 402 HB2 PRO 52 2HB PRO 52 -8.975 -4.817 13.749 403 HB3 PRO 52 1HB PRO 52 -8.256 -6.433 13.790 404 HG2 PRO 52 2HG PRO 52 -7.162 -4.461 15.175 405 HG3 PRO 52 1HG PRO 52 -6.140 -5.622 14.310 406 HD2 PRO 52 2HD PRO 52 -6.800 -2.799 13.619 407 HD3 PRO 52 1HD PRO 52 -5.305 -3.705 13.333 408 H ASP 53 H ASP 53 -8.925 -3.155 11.149 409 HA ASP 53 HA ASP 53 -10.843 -4.694 9.577 410 HB2 ASP 53 2HB ASP 53 -11.821 -2.451 11.335 411 HB3 ASP 53 1HB ASP 53 -12.770 -3.659 10.476 412 H HIS 54 H HIS 54 -8.668 -2.207 9.510 413 HA HIS 54 HA HIS 54 -9.960 -1.254 7.097 414 HD1 HIS 54 1HD HIS 54 -10.246 0.316 11.155 415 HD2 HIS 54 2HD HIS 54 -7.099 1.784 8.873 416 HE1 HIS 54 1HE HIS 54 -8.625 1.303 12.803 417 HE2 HIS 54 2HE HIS 54 -6.678 2.087 11.408 418 HB2 HIS 54 2HB HIS 54 -9.560 1.133 7.617 419 HB3 HIS 54 1HB HIS 54 -10.751 0.381 8.661 420 H VAL 55 H VAL 55 -8.523 -0.084 5.618 421 HA VAL 55 HA VAL 55 -5.681 -0.369 6.216 422 HB VAL 55 HB VAL 55 -6.776 -2.347 4.858 423 HG11 VAL 55 1HG1 VAL 55 -7.000 -2.120 2.578 424 HG12 VAL 55 2HG1 VAL 55 -5.981 -0.682 2.516 425 HG13 VAL 55 3HG1 VAL 55 -7.623 -0.572 3.151 426 HG21 VAL 55 3HG2 VAL 55 -4.398 -2.095 5.426 427 HG22 VAL 55 1HG2 VAL 55 -4.181 -1.104 3.983 428 HG23 VAL 55 2HG2 VAL 55 -4.645 -2.798 3.827 429 H LEU 56 H LEU 56 -4.434 1.194 5.351 430 HA LEU 56 HA LEU 56 -5.748 3.150 3.574 431 HG LEU 56 HG LEU 56 -6.534 4.698 5.565 432 HB2 LEU 56 2HB LEU 56 -4.461 3.525 6.135 433 HB3 LEU 56 1HB LEU 56 -3.595 4.419 4.908 434 HD11 LEU 56 1HD1 LEU 56 -6.005 6.711 6.648 435 HD12 LEU 56 2HD1 LEU 56 -4.356 6.714 6.025 436 HD13 LEU 56 3HD1 LEU 56 -4.835 5.537 7.249 437 HD21 LEU 56 3HD2 LEU 56 -4.829 5.802 3.395 438 HD22 LEU 56 1HD2 LEU 56 -5.979 6.895 4.162 439 HD23 LEU 56 2HD2 LEU 56 -6.551 5.415 3.398 440 H MET 57 H MET 57 -4.551 3.959 1.868 441 HA MET 57 HA MET 57 -1.926 2.700 1.458 442 HB2 MET 57 2HB MET 57 -3.811 3.275 -0.805 443 HB3 MET 57 1HB MET 57 -2.416 2.203 -0.779 444 HG2 MET 57 2HG MET 57 -3.586 0.683 0.731 445 HG3 MET 57 1HG MET 57 -4.982 1.764 0.730 446 HE1 MET 57 3HE MET 57 -6.813 1.758 -0.872 447 HE2 MET 57 1HE MET 57 -6.841 0.138 -0.176 448 HE3 MET 57 2HE MET 57 -7.097 0.358 -1.907 449 H ILE 58 H ILE 58 -0.386 4.227 1.506 450 HA ILE 58 HA ILE 58 -0.959 6.790 0.185 451 HB ILE 58 HB ILE 58 0.812 6.385 2.601 452 HG12 ILE 58 2HG1 ILE 58 -2.036 6.654 2.453 453 HG13 ILE 58 1HG1 ILE 58 -1.026 6.524 3.879 454 HG21 ILE 58 1HG2 ILE 58 -0.105 8.908 1.240 455 HG22 ILE 58 2HG2 ILE 58 1.501 8.188 1.100 456 HG23 ILE 58 3HG2 ILE 58 0.945 8.804 2.655 457 HD11 ILE 58 3HD1 ILE 58 -1.343 9.163 2.515 458 HD12 ILE 58 1HD1 ILE 58 -0.948 8.805 4.196 459 HD13 ILE 58 2HD1 ILE 58 -2.590 8.557 3.606 460 H LEU 59 H LEU 59 0.582 7.525 -1.220 461 HA LEU 59 HA LEU 59 3.041 5.920 -1.416 462 HG LEU 59 HG LEU 59 1.316 7.031 -5.160 463 HB2 LEU 59 2HB LEU 59 2.964 5.908 -3.740 464 HB3 LEU 59 1HB LEU 59 1.317 5.569 -3.255 465 HD11 LEU 59 1HD1 LEU 59 0.576 8.550 -2.681 466 HD12 LEU 59 2HD1 LEU 59 -0.424 7.341 -3.486 467 HD13 LEU 59 3HD1 LEU 59 -0.026 8.851 -4.308 468 HD21 LEU 59 3HD2 LEU 59 3.622 8.096 -4.245 469 HD22 LEU 59 1HD2 LEU 59 2.476 9.364 -3.820 470 HD23 LEU 59 2HD2 LEU 59 2.611 8.825 -5.488 471 H ASN 60 H ASN 60 4.941 6.939 -1.956 472 HA ASN 60 HA ASN 60 4.829 9.890 -1.986 473 HB2 ASN 60 2HB ASN 60 6.012 8.373 0.022 474 HB3 ASN 60 1HB ASN 60 7.365 8.789 -1.028 475 HD21 ASN 60 1HD2 ASN 60 6.855 9.673 1.661 476 HD22 ASN 60 2HD2 ASN 60 6.736 11.394 1.604 477 H SER 61 H SER 61 5.097 10.304 -4.101 478 HA SER 61 HA SER 61 7.597 9.320 -5.307 479 HG SER 61 HG SER 61 5.628 7.345 -5.052 480 HB2 SER 61 2HB SER 61 5.306 9.222 -7.152 481 HB3 SER 61 1HB SER 61 6.675 8.127 -6.991 482 HA PRO 62 HA PRO 62 7.913 13.521 -6.715 483 HB2 PRO 62 2HB PRO 62 9.894 13.109 -8.518 484 HB3 PRO 62 1HB PRO 62 10.139 13.165 -6.772 485 HG2 PRO 62 2HG PRO 62 9.841 10.765 -8.542 486 HG3 PRO 62 1HG PRO 62 11.039 11.071 -7.268 487 HD2 PRO 62 2HD PRO 62 8.891 9.554 -6.816 488 HD3 PRO 62 1HD PRO 62 9.519 10.647 -5.571 489 H ASP 63 H ASP 63 6.802 10.930 -8.670 490 HA ASP 63 HA ASP 63 5.827 12.898 -10.594 491 HB2 ASP 63 2HB ASP 63 7.696 12.177 -11.807 492 HB3 ASP 63 1HB ASP 63 7.532 10.514 -11.261 493 H GLU 64 H GLU 64 3.842 12.303 -11.622 494 HA GLU 64 HA GLU 64 2.155 10.655 -10.045 495 HB2 GLU 64 2HB GLU 64 1.795 11.973 -12.708 496 HB3 GLU 64 1HB GLU 64 0.708 10.663 -12.282 497 HG2 GLU 64 2HG GLU 64 -0.463 12.394 -11.422 498 HG3 GLU 64 1HG GLU 64 0.525 11.986 -10.015 499 H ASP 65 H ASP 65 3.874 9.871 -13.094 500 HA ASP 65 HA ASP 65 2.799 7.391 -13.632 501 HB2 ASP 65 2HB ASP 65 4.639 8.585 -14.903 502 HB3 ASP 65 1HB ASP 65 5.759 7.986 -13.683 503 H SER 66 H SER 66 5.546 8.132 -11.530 504 HA SER 66 HA SER 66 5.836 5.574 -10.383 505 HG SER 66 HG SER 66 8.265 7.972 -10.564 506 HB2 SER 66 2HB SER 66 6.567 8.336 -9.403 507 HB3 SER 66 1HB SER 66 6.978 6.870 -8.512 508 H LEU 67 H LEU 67 4.387 8.516 -9.144 509 HA LEU 67 HA LEU 67 3.241 7.841 -6.810 510 HG LEU 67 HG LEU 67 1.000 9.563 -6.362 511 HB2 LEU 67 2HB LEU 67 3.077 10.052 -7.599 512 HB3 LEU 67 1HB LEU 67 2.291 9.564 -9.069 513 HD11 LEU 67 1HD1 LEU 67 1.438 11.644 -8.309 514 HD12 LEU 67 2HD1 LEU 67 0.885 11.749 -6.639 515 HD13 LEU 67 3HD1 LEU 67 -0.267 11.413 -7.930 516 HD21 LEU 67 3HD2 LEU 67 0.051 8.793 -9.074 517 HD22 LEU 67 1HD2 LEU 67 -1.074 9.549 -7.948 518 HD23 LEU 67 2HD2 LEU 67 -0.280 8.037 -7.515 519 H ALA 68 H ALA 68 1.459 7.487 -9.900 520 HA ALA 68 HA ALA 68 -0.645 6.017 -8.699 521 HB1 ALA 68 3HB ALA 68 0.223 6.540 -11.514 522 HB2 ALA 68 1HB ALA 68 -1.287 6.958 -10.705 523 HB3 ALA 68 2HB ALA 68 -0.985 5.294 -11.203 524 H HIS 69 H HIS 69 2.408 5.099 -10.186 525 HA HIS 69 HA HIS 69 1.988 2.363 -10.508 526 HD1 HIS 69 1HD HIS 69 3.173 0.477 -9.882 527 HD2 HIS 69 2HD HIS 69 6.454 2.191 -11.768 528 HE1 HIS 69 1HE HIS 69 4.579 -1.453 -10.672 529 HE2 HIS 69 2HE HIS 69 6.511 -0.391 -11.889 530 HB2 HIS 69 2HB HIS 69 4.003 3.729 -11.254 531 HB3 HIS 69 1HB HIS 69 4.597 3.582 -9.604 532 H MET 70 H MET 70 2.835 4.255 -7.684 533 HA MET 70 HA MET 70 3.225 1.945 -5.992 534 HB2 MET 70 2HB MET 70 2.729 4.635 -4.820 535 HB3 MET 70 1HB MET 70 3.883 3.415 -4.321 536 HG2 MET 70 2HG MET 70 4.248 4.938 -6.863 537 HG3 MET 70 1HG MET 70 4.750 5.594 -5.316 538 HE1 MET 70 3HE MET 70 4.935 2.634 -7.725 539 HE2 MET 70 1HE MET 70 6.644 2.197 -7.694 540 HE3 MET 70 2HE MET 70 6.144 3.754 -8.353 541 H GLN 71 H GLN 71 0.776 4.596 -5.973 542 HA GLN 71 HA GLN 71 -0.873 3.466 -4.068 543 HB2 GLN 71 2HB GLN 71 -2.761 4.743 -5.371 544 HB3 GLN 71 1HB GLN 71 -1.548 5.611 -4.452 545 HG2 GLN 71 2HG GLN 71 -0.859 6.677 -6.266 546 HG3 GLN 71 1HG GLN 71 -0.732 5.182 -7.190 547 HE21 GLN 71 1HE2 GLN 71 -3.194 7.371 -5.883 548 HE22 GLN 71 2HE2 GLN 71 -4.234 7.303 -7.262 549 H ASN 72 H ASN 72 -0.597 2.641 -7.445 550 HA ASN 72 HA ASN 72 -3.047 1.118 -7.462 551 HB2 ASN 72 2HB ASN 72 -1.745 2.265 -9.464 552 HB3 ASN 72 1HB ASN 72 -0.938 0.701 -9.530 553 HD21 ASN 72 1HD2 ASN 72 -3.326 2.400 -10.861 554 HD22 ASN 72 2HD2 ASN 72 -4.410 1.130 -11.308 555 H VAL 73 H VAL 73 0.421 0.404 -7.273 556 HA VAL 73 HA VAL 73 0.461 -2.319 -7.486 557 HB VAL 73 HB VAL 73 2.063 -0.425 -5.804 558 HG11 VAL 73 1HG1 VAL 73 2.014 -2.357 -4.395 559 HG12 VAL 73 2HG1 VAL 73 3.574 -2.320 -5.217 560 HG13 VAL 73 3HG1 VAL 73 2.316 -3.427 -5.764 561 HG21 VAL 73 3HG2 VAL 73 3.300 -2.289 -7.722 562 HG22 VAL 73 1HG2 VAL 73 3.599 -0.573 -7.449 563 HG23 VAL 73 2HG2 VAL 73 2.209 -1.085 -8.406 564 H VAL 74 H VAL 74 -0.388 -0.420 -4.613 565 HA VAL 74 HA VAL 74 -0.788 -2.684 -2.929 566 HB VAL 74 HB VAL 74 -1.860 0.124 -2.658 567 HG11 VAL 74 1HG1 VAL 74 -3.191 -1.540 -1.393 568 HG12 VAL 74 2HG1 VAL 74 -2.352 -0.389 -0.356 569 HG13 VAL 74 3HG1 VAL 74 -1.723 -2.024 -0.546 570 HG21 VAL 74 3HG2 VAL 74 0.063 -0.405 -0.694 571 HG22 VAL 74 1HG2 VAL 74 0.221 0.659 -2.090 572 HG23 VAL 74 2HG2 VAL 74 0.737 -1.024 -2.201 573 H ALA 75 H ALA 75 -3.041 -0.612 -4.784 574 HA ALA 75 HA ALA 75 -5.456 -1.658 -4.015 575 HB1 ALA 75 3HB ALA 75 -6.278 -1.102 -6.290 576 HB2 ALA 75 1HB ALA 75 -4.611 -0.825 -6.792 577 HB3 ALA 75 2HB ALA 75 -5.342 0.198 -5.554 578 H ASP 76 H ASP 76 -2.962 -3.108 -5.914 579 HA ASP 76 HA ASP 76 -4.573 -5.254 -6.947 580 HB2 ASP 76 2HB ASP 76 -2.289 -4.244 -7.817 581 HB3 ASP 76 1HB ASP 76 -1.599 -5.458 -6.746 582 H HIS 77 H HIS 77 -2.302 -4.832 -4.265 583 HA HIS 77 HA HIS 77 -2.195 -7.513 -3.444 584 HD1 HIS 77 1HD HIS 77 -0.592 -6.297 -4.756 585 HD2 HIS 77 2HD HIS 77 0.989 -4.567 -1.324 586 HE1 HIS 77 1HE HIS 77 1.671 -5.427 -5.423 587 HE2 HIS 77 2HE HIS 77 2.641 -4.456 -3.311 588 HB2 HIS 77 2HB HIS 77 -1.933 -5.098 -1.645 589 HB3 HIS 77 1HB HIS 77 -1.276 -6.702 -1.371 590 H LEU 78 H LEU 78 -4.440 -4.910 -2.501 591 HA LEU 78 HA LEU 78 -5.766 -6.346 -0.484 592 HG LEU 78 HG LEU 78 -5.111 -3.132 -0.769 593 HB2 LEU 78 2HB LEU 78 -6.668 -4.079 -2.259 594 HB3 LEU 78 1HB LEU 78 -7.653 -4.727 -0.965 595 HD11 LEU 78 1HD1 LEU 78 -7.777 -2.892 0.613 596 HD12 LEU 78 2HD1 LEU 78 -7.290 -1.988 -0.820 597 HD13 LEU 78 3HD1 LEU 78 -6.430 -1.758 0.701 598 HD21 LEU 78 3HD2 LEU 78 -4.568 -4.824 0.745 599 HD22 LEU 78 1HD2 LEU 78 -6.246 -5.052 1.239 600 HD23 LEU 78 2HD2 LEU 78 -5.363 -3.615 1.751 601 H GLN 79 H GLN 79 -5.966 -6.433 -3.945 602 HA GLN 79 HA GLN 79 -8.522 -7.686 -4.119 603 HB2 GLN 79 2HB GLN 79 -6.311 -7.851 -6.163 604 HB3 GLN 79 1HB GLN 79 -8.040 -8.008 -6.437 605 HG2 GLN 79 2HG GLN 79 -7.639 -5.491 -5.252 606 HG3 GLN 79 1HG GLN 79 -6.403 -5.672 -6.493 607 HE21 GLN 79 1HE2 GLN 79 -7.976 -3.750 -7.077 608 HE22 GLN 79 2HE2 GLN 79 -9.190 -4.167 -8.233 609 H ARG 80 H ARG 80 -5.205 -8.944 -4.496 610 HA ARG 80 HA ARG 80 -5.802 -11.604 -4.867 611 HE ARG 80 HE ARG 80 -0.527 -13.580 -2.889 612 HB2 ARG 80 2HB ARG 80 -3.578 -11.066 -5.202 613 HB3 ARG 80 1HB ARG 80 -3.471 -10.127 -3.721 614 HG2 ARG 80 2HG ARG 80 -3.011 -11.936 -2.438 615 HG3 ARG 80 1HG ARG 80 -3.907 -13.049 -3.473 616 HD2 ARG 80 2HD ARG 80 -2.137 -12.895 -5.159 617 HD3 ARG 80 1HD ARG 80 -1.244 -11.788 -4.119 618 HH11 ARG 80 1HH1 ARG 80 -3.219 -14.580 -4.871 619 HH12 ARG 80 2HH1 ARG 80 -3.040 -16.259 -4.488 620 HH21 ARG 80 1HH2 ARG 80 -0.290 -15.789 -2.382 621 HH22 ARG 80 2HH2 ARG 80 -1.377 -16.945 -3.074 622 H MET 81 H MET 81 -5.632 -9.774 -1.855 623 HA MET 81 HA MET 81 -5.997 -12.143 -0.245 624 HB2 MET 81 2HB MET 81 -6.046 -10.599 1.661 625 HB3 MET 81 1HB MET 81 -4.650 -10.350 0.632 626 HG2 MET 81 2HG MET 81 -5.366 -8.213 1.220 627 HG3 MET 81 1HG MET 81 -5.931 -8.444 -0.430 628 HE1 MET 81 3HE MET 81 -6.360 -6.848 2.326 629 HE2 MET 81 1HE MET 81 -7.848 -7.213 3.200 630 HE3 MET 81 2HE MET 81 -7.880 -6.107 1.826 631 H ALA 82 H ALA 82 -8.061 -10.075 -1.952 632 HA ALA 82 HA ALA 82 -10.371 -11.155 -0.472 633 HB1 ALA 82 3HB ALA 82 -9.844 -8.307 -1.233 634 HB2 ALA 82 1HB ALA 82 -10.403 -8.968 0.303 635 HB3 ALA 82 2HB ALA 82 -11.495 -8.904 -1.080 636 H ASN 83 H ASN 83 -11.116 -12.605 -1.909 637 HA ASN 83 HA ASN 83 -11.283 -11.872 -4.738 638 HB2 ASN 83 2HB ASN 83 -11.823 -14.540 -3.417 639 HB3 ASN 83 1HB ASN 83 -11.722 -14.234 -5.148 640 HD21 ASN 83 1HD2 ASN 83 -10.128 -15.709 -2.881 641 HD22 ASN 83 2HD2 ASN 83 -8.490 -15.379 -3.320 642 H SER 84 H SER 84 -13.078 -10.848 -5.319 643 HA SER 84 HA SER 84 -15.615 -11.987 -5.211 644 HG SER 84 HG SER 84 -17.476 -10.777 -2.661 645 HB2 SER 84 2HB SER 84 -15.033 -11.083 -2.714 646 HB3 SER 84 1HB SER 84 -15.790 -9.650 -3.408 647 H GLU 85 H GLU 85 -13.776 -8.985 -5.225 648 HA GLU 85 HA GLU 85 -15.035 -8.175 -7.691 649 HB2 GLU 85 2HB GLU 85 -15.893 -6.062 -6.909 650 HB3 GLU 85 1HB GLU 85 -16.607 -7.347 -5.944 651 HG2 GLU 85 2HG GLU 85 -14.179 -6.384 -4.726 652 HG3 GLU 85 1HG GLU 85 -15.304 -5.059 -5.028 653 H SER 86 H SER 86 -14.053 -6.081 -8.499 654 HA SER 86 HA SER 86 -11.215 -6.224 -8.184 655 HG SER 86 HG SER 86 -13.135 -6.368 -10.287 656 HB2 SER 86 2HB SER 86 -12.839 -4.089 -9.594 657 HB3 SER 86 1HB SER 86 -11.125 -4.434 -9.826 658 H LEU 87 H LEU 87 -11.411 -5.904 -5.820 659 HA LEU 87 HA LEU 87 -11.674 -4.560 -3.912 660 HG LEU 87 HG LEU 87 -8.173 -4.653 -3.277 661 HB2 LEU 87 2HB LEU 87 -9.175 -4.344 -5.296 662 HB3 LEU 87 1HB LEU 87 -9.533 -2.814 -4.521 663 HD11 LEU 87 1HD1 LEU 87 -8.528 -2.665 -2.157 664 HD12 LEU 87 2HD1 LEU 87 -9.360 -3.820 -1.115 665 HD13 LEU 87 3HD1 LEU 87 -10.284 -2.815 -2.232 666 HD21 LEU 87 3HD2 LEU 87 -9.892 -6.421 -3.532 667 HD22 LEU 87 1HD2 LEU 87 -10.971 -5.470 -2.510 668 HD23 LEU 87 2HD2 LEU 87 -9.460 -6.096 -1.856 669 H GLU 88 H GLU 88 -13.303 -3.177 -3.588 670 HA GLU 88 HA GLU 88 -13.681 -0.844 -5.205 671 HB2 GLU 88 2HB GLU 88 -15.535 -1.985 -3.971 672 HB3 GLU 88 1HB GLU 88 -14.802 -1.461 -2.458 673 HG2 GLU 88 2HG GLU 88 -15.338 0.764 -2.819 674 HG3 GLU 88 1HG GLU 88 -15.544 0.535 -4.555 675 H ILE 89 H ILE 89 -11.894 0.464 -5.168 676 HA ILE 89 HA ILE 89 -11.203 1.591 -2.554 677 HB ILE 89 HB ILE 89 -8.880 1.494 -2.910 678 HG12 ILE 89 2HG1 ILE 89 -9.129 2.107 -5.440 679 HG13 ILE 89 1HG1 ILE 89 -7.742 1.172 -4.914 680 HG21 ILE 89 1HG2 ILE 89 -8.436 -0.906 -3.497 681 HG22 ILE 89 2HG2 ILE 89 -10.157 -1.048 -3.850 682 HG23 ILE 89 3HG2 ILE 89 -9.623 -0.629 -2.224 683 HD11 ILE 89 3HD1 ILE 89 -8.797 -0.871 -5.671 684 HD12 ILE 89 1HD1 ILE 89 -8.691 0.308 -6.980 685 HD13 ILE 89 2HD1 ILE 89 -10.229 0.036 -6.163 686 H ALA 90 H ALA 90 -11.229 3.818 -2.504 687 HA ALA 90 HA ALA 90 -11.488 5.151 -5.105 688 HB1 ALA 90 3HB ALA 90 -12.498 6.972 -4.015 689 HB2 ALA 90 1HB ALA 90 -11.899 6.476 -2.434 690 HB3 ALA 90 2HB ALA 90 -13.179 5.550 -3.225 691 H TRP 91 H TRP 91 -9.638 5.763 -5.934 692 HA TRP 91 HA TRP 91 -7.429 6.516 -4.200 693 HD1 TRP 91 HD TRP 91 -9.560 7.002 -7.325 694 HE1 TRP 91 1HE TRP 91 -9.709 6.931 -9.890 695 HE3 TRP 91 3HE TRP 91 -4.942 5.065 -8.354 696 HZ2 TRP 91 2HZ TRP 91 -8.087 6.157 -12.065 697 HZ3 TRP 91 3HZ TRP 91 -4.319 4.689 -10.705 698 HH2 TRP 91 HH TRP 91 -5.861 5.223 -12.521 699 HB2 TRP 91 2HB TRP 91 -6.055 6.478 -6.225 700 HB3 TRP 91 1HB TRP 91 -6.950 4.978 -6.033 701 H GLN 92 H GLN 92 -6.666 8.507 -3.925 702 HA GLN 92 HA GLN 92 -8.190 10.706 -5.065 703 HB2 GLN 92 2HB GLN 92 -6.007 10.669 -2.973 704 HB3 GLN 92 1HB GLN 92 -6.886 12.106 -3.476 705 HG2 GLN 92 2HG GLN 92 -8.957 11.170 -2.653 706 HG3 GLN 92 1HG GLN 92 -8.135 9.669 -2.228 707 HE21 GLN 92 1HE2 GLN 92 -9.294 10.430 -0.168 708 HE22 GLN 92 2HE2 GLN 92 -8.333 11.356 0.930 709 HA PRO 93 HA PRO 93 -5.497 12.048 -8.264 710 HB2 PRO 93 2HB PRO 93 -5.317 14.640 -6.813 711 HB3 PRO 93 1HB PRO 93 -5.709 14.328 -8.507 712 HG2 PRO 93 2HG PRO 93 -7.624 14.954 -6.762 713 HG3 PRO 93 1HG PRO 93 -7.903 13.747 -8.032 714 HD2 PRO 93 2HD PRO 93 -7.458 13.362 -5.115 715 HD3 PRO 93 1HD PRO 93 -8.433 12.404 -6.247 716 H ALA 94 H ALA 94 -4.541 13.052 -4.996 717 HA ALA 94 HA ALA 94 -2.524 12.507 -3.939 718 HB1 ALA 94 3HB ALA 94 -0.725 11.547 -4.986 719 HB2 ALA 94 1HB ALA 94 -0.973 12.461 -6.471 720 HB3 ALA 94 2HB ALA 94 -2.009 11.084 -6.106 721 H GLU 95 H GLU 95 -3.703 15.047 -4.914 722 HA GLU 95 HA GLU 95 -3.217 17.268 -4.912 723 HB2 GLU 95 2HB GLU 95 -1.678 16.149 -2.929 724 HB3 GLU 95 1HB GLU 95 -0.481 17.015 -3.883 725 HG2 GLU 95 2HG GLU 95 -2.048 19.020 -3.709 726 HG3 GLU 95 1HG GLU 95 -2.872 18.108 -2.446 727 H SER 96 H SER 96 -0.940 18.734 -5.337 728 HA SER 96 HA SER 96 0.672 17.784 -7.462 729 HG SER 96 HG SER 96 -0.005 19.165 -10.192 730 HB2 SER 96 2HB SER 96 -1.824 18.327 -8.368 731 HB3 SER 96 1HB SER 96 -1.071 19.911 -8.551 Start of MODEL 19 1 HA MET 1 HA MET 1 6.867 13.568 -5.056 2 HB2 MET 1 2HB MET 1 7.521 13.745 -2.757 3 HB3 MET 1 1HB MET 1 8.802 14.417 -3.761 4 HG2 MET 1 2HG MET 1 8.644 16.419 -2.802 5 HG3 MET 1 1HG MET 1 6.886 16.425 -2.892 6 HE1 MET 1 3HE MET 1 6.678 17.377 0.348 7 HE2 MET 1 1HE MET 1 7.650 17.922 -1.020 8 HE3 MET 1 2HE MET 1 8.437 17.394 0.468 9 H PHE 2 H PHE 2 4.787 13.608 -5.623 10 HA PHE 2 HA PHE 2 2.918 15.327 -4.160 11 HD1 PHE 2 1HD PHE 2 3.399 16.758 -6.586 12 HD2 PHE 2 2HD PHE 2 2.933 12.794 -8.070 13 HE1 PHE 2 1HE PHE 2 4.700 17.358 -8.584 14 HE2 PHE 2 2HE PHE 2 4.226 13.393 -10.072 15 HZ PHE 2 HZ PHE 2 5.117 15.673 -10.332 16 HB2 PHE 2 2HB PHE 2 1.856 13.395 -6.137 17 HB3 PHE 2 1HB PHE 2 1.459 15.091 -5.905 18 H ARG 3 H ARG 3 0.779 14.093 -3.470 19 HA ARG 3 HA ARG 3 1.381 11.368 -2.678 20 HE ARG 3 HE ARG 3 3.512 11.094 1.818 21 HB2 ARG 3 2HB ARG 3 1.852 13.457 -0.850 22 HB3 ARG 3 1HB ARG 3 0.372 12.667 -0.315 23 HG2 ARG 3 2HG ARG 3 1.706 11.204 0.685 24 HG3 ARG 3 1HG ARG 3 2.002 10.552 -0.913 25 HD2 ARG 3 2HD ARG 3 4.138 11.154 -0.810 26 HD3 ARG 3 1HD ARG 3 3.692 12.824 -0.469 27 HH11 ARG 3 1HH1 ARG 3 5.635 13.111 -0.081 28 HH12 ARG 3 2HH1 ARG 3 6.741 13.388 1.221 29 HH21 ARG 3 1HH2 ARG 3 4.965 11.458 3.533 30 HH22 ARG 3 2HH2 ARG 3 6.362 12.450 3.273 31 H SER 4 H SER 4 -0.308 10.123 -2.865 32 HA SER 4 HA SER 4 -3.024 11.247 -2.748 33 HG SER 4 HG SER 4 -4.479 9.066 -4.378 34 HB2 SER 4 2HB SER 4 -3.012 10.505 -4.935 35 HB3 SER 4 1HB SER 4 -1.722 9.338 -4.638 36 H THR 5 H THR 5 -4.678 9.596 -1.999 37 HA THR 5 HA THR 5 -3.518 7.454 -0.413 38 HB THR 5 HB THR 5 -4.545 8.105 1.662 39 HG1 THR 5 1HG THR 5 -6.397 9.096 1.041 40 HG21 THR 5 3HG2 THR 5 -3.233 9.845 2.343 41 HG22 THR 5 1HG2 THR 5 -3.427 10.738 0.838 42 HG23 THR 5 2HG2 THR 5 -2.363 9.332 0.901 43 H SER 6 H SER 6 -4.680 5.669 -0.405 44 HA SER 6 HA SER 6 -7.479 5.840 -1.326 45 HG SER 6 HG SER 6 -7.382 3.168 -3.293 46 HB2 SER 6 2HB SER 6 -5.864 4.594 -2.808 47 HB3 SER 6 1HB SER 6 -5.657 3.430 -1.500 48 H HIS 7 H HIS 7 -9.053 5.167 0.011 49 HA HIS 7 HA HIS 7 -8.255 3.708 2.452 50 HD1 HIS 7 1HD HIS 7 -9.801 6.806 4.965 51 HD2 HIS 7 2HD HIS 7 -10.152 2.719 4.301 52 HE1 HIS 7 1HE HIS 7 -10.076 5.775 7.242 53 HE2 HIS 7 2HE HIS 7 -10.376 3.312 6.806 54 HB2 HIS 7 2HB HIS 7 -9.219 6.121 2.586 55 HB3 HIS 7 1HB HIS 7 -10.763 5.347 2.260 56 H VAL 8 H VAL 8 -9.170 1.770 2.864 57 HA VAL 8 HA VAL 8 -11.664 1.039 1.502 58 HB VAL 8 HB VAL 8 -9.438 -0.969 1.609 59 HG11 VAL 8 1HG1 VAL 8 -10.646 -2.032 -0.170 60 HG12 VAL 8 2HG1 VAL 8 -11.736 -0.654 -0.317 61 HG13 VAL 8 3HG1 VAL 8 -11.774 -1.660 1.132 62 HG21 VAL 8 3HG2 VAL 8 -9.894 0.845 -0.752 63 HG22 VAL 8 1HG2 VAL 8 -8.639 -0.377 -0.550 64 HG23 VAL 8 2HG2 VAL 8 -8.609 1.087 0.431 65 H ARG 9 H ARG 9 -12.815 -0.729 2.524 66 HA ARG 9 HA ARG 9 -12.060 -0.996 5.350 67 HE ARG 9 HE ARG 9 -15.296 2.185 6.619 68 HB2 ARG 9 2HB ARG 9 -14.661 -1.058 3.922 69 HB3 ARG 9 1HB ARG 9 -14.495 -2.138 5.298 70 HG2 ARG 9 2HG ARG 9 -15.450 -0.111 6.078 71 HG3 ARG 9 1HG ARG 9 -13.785 -0.176 6.663 72 HD2 ARG 9 2HD ARG 9 -13.079 1.495 5.246 73 HD3 ARG 9 1HD ARG 9 -14.371 1.198 4.082 74 HH11 ARG 9 1HH1 ARG 9 -14.086 3.074 3.468 75 HH12 ARG 9 2HH1 ARG 9 -14.807 4.650 3.499 76 HH21 ARG 9 1HH2 ARG 9 -16.245 4.256 6.660 77 HH22 ARG 9 2HH2 ARG 9 -16.032 5.320 5.310 78 H THR 10 H THR 10 -10.745 -2.684 5.654 79 HA THR 10 HA THR 10 -11.575 -5.296 4.578 80 HB THR 10 HB THR 10 -9.329 -3.906 3.748 81 HG1 THR 10 1HG THR 10 -10.267 -5.589 2.607 82 HG21 THR 10 3HG2 THR 10 -7.411 -4.844 4.577 83 HG22 THR 10 1HG2 THR 10 -8.262 -6.225 5.272 84 HG23 THR 10 2HG2 THR 10 -8.381 -4.640 6.042 85 H GLU 11 H GLU 11 -10.844 -7.165 5.846 86 HA GLU 11 HA GLU 11 -10.510 -6.447 8.682 87 HB2 GLU 11 2HB GLU 11 -12.291 -8.204 7.400 88 HB3 GLU 11 1HB GLU 11 -11.161 -9.223 8.280 89 HG2 GLU 11 2HG GLU 11 -11.978 -7.001 9.900 90 HG3 GLU 11 1HG GLU 11 -13.385 -7.869 9.285 91 H SER 12 H SER 12 -8.973 -7.522 9.996 92 HA SER 12 HA SER 12 -6.936 -8.379 10.484 93 HG SER 12 HG SER 12 -5.740 -10.908 10.060 94 HB2 SER 12 2HB SER 12 -7.850 -10.509 10.048 95 HB3 SER 12 1HB SER 12 -7.817 -10.261 8.301 96 H ALA 13 H ALA 13 -7.201 -6.254 8.493 97 HA ALA 13 HA ALA 13 -5.480 -6.381 6.332 98 HB1 ALA 13 3HB ALA 13 -6.956 -4.460 7.041 99 HB2 ALA 13 1HB ALA 13 -5.383 -4.041 6.368 100 HB3 ALA 13 2HB ALA 13 -5.636 -4.002 8.105 101 H ALA 14 H ALA 14 -4.587 -5.300 9.591 102 HA ALA 14 HA ALA 14 -1.993 -4.610 9.273 103 HB1 ALA 14 3HB ALA 14 -3.084 -6.209 11.577 104 HB2 ALA 14 1HB ALA 14 -3.172 -4.458 11.372 105 HB3 ALA 14 2HB ALA 14 -1.606 -5.244 11.591 106 H ARG 15 H ARG 15 -3.122 -7.916 9.013 107 HA ARG 15 HA ARG 15 -0.470 -9.031 9.293 108 HE ARG 15 HE ARG 15 0.967 -13.403 8.656 109 HB2 ARG 15 2HB ARG 15 -2.797 -10.146 9.767 110 HB3 ARG 15 1HB ARG 15 -2.757 -10.515 8.053 111 HG2 ARG 15 2HG ARG 15 -1.174 -11.633 10.272 112 HG3 ARG 15 1HG ARG 15 -1.834 -12.408 8.837 113 HD2 ARG 15 2HD ARG 15 -0.029 -11.661 7.487 114 HD3 ARG 15 1HD ARG 15 0.522 -10.535 8.724 115 HH11 ARG 15 1HH1 ARG 15 1.181 -10.434 10.487 116 HH12 ARG 15 2HH1 ARG 15 2.363 -11.057 11.587 117 HH21 ARG 15 1HH2 ARG 15 2.517 -14.217 10.107 118 HH22 ARG 15 2HH2 ARG 15 3.120 -13.202 11.374 119 H TYR 16 H TYR 16 -2.658 -8.274 6.630 120 HA TYR 16 HA TYR 16 -1.014 -9.447 4.636 121 HD1 TYR 16 2HD TYR 16 -2.652 -10.825 4.869 122 HD2 TYR 16 1HD TYR 16 -5.237 -7.735 3.470 123 HE1 TYR 16 2HE TYR 16 -4.560 -12.337 5.057 124 HE2 TYR 16 1HE TYR 16 -7.151 -9.255 3.666 125 HH TYR 16 HH TYR 16 -7.603 -11.650 3.704 126 HB2 TYR 16 2HB TYR 16 -3.003 -7.188 4.309 127 HB3 TYR 16 1HB TYR 16 -2.317 -8.151 3.010 128 H VAL 17 H VAL 17 -0.887 -6.427 6.347 129 HA VAL 17 HA VAL 17 0.927 -5.164 4.507 130 HB VAL 17 HB VAL 17 -0.051 -4.462 7.250 131 HG11 VAL 17 1HG1 VAL 17 2.601 -3.764 6.216 132 HG12 VAL 17 2HG1 VAL 17 1.943 -3.591 7.846 133 HG13 VAL 17 3HG1 VAL 17 1.607 -2.373 6.626 134 HG21 VAL 17 3HG2 VAL 17 -0.699 -2.425 6.191 135 HG22 VAL 17 1HG2 VAL 17 -1.241 -3.780 5.196 136 HG23 VAL 17 2HG2 VAL 17 0.189 -2.857 4.731 137 H ASN 18 H ASN 18 1.226 -6.859 7.613 138 HA ASN 18 HA ASN 18 4.045 -6.648 7.737 139 HB2 ASN 18 2HB ASN 18 2.314 -8.741 9.059 140 HB3 ASN 18 1HB ASN 18 3.919 -8.220 9.560 141 HD21 ASN 18 1HD2 ASN 18 1.948 -8.202 11.379 142 HD22 ASN 18 2HD2 ASN 18 1.472 -6.583 11.751 143 H ARG 19 H ARG 19 1.878 -8.900 6.151 144 HA ARG 19 HA ARG 19 3.880 -10.914 5.764 145 HE ARG 19 HE ARG 19 -0.354 -12.587 5.203 146 HB2 ARG 19 2HB ARG 19 1.178 -10.930 5.676 147 HB3 ARG 19 1HB ARG 19 1.545 -10.855 3.957 148 HG2 ARG 19 2HG ARG 19 1.899 -13.033 3.964 149 HG3 ARG 19 1HG ARG 19 3.252 -12.790 5.068 150 HD2 ARG 19 2HD ARG 19 1.734 -14.382 6.032 151 HD3 ARG 19 1HD ARG 19 1.675 -12.886 6.961 152 HH11 ARG 19 1HH1 ARG 19 0.513 -15.143 7.417 153 HH12 ARG 19 2HH1 ARG 19 -1.124 -15.648 7.670 154 HH21 ARG 19 1HH2 ARG 19 -2.507 -13.250 5.536 155 HH22 ARG 19 2HH2 ARG 19 -2.839 -14.574 6.603 156 H LEU 20 H LEU 20 3.098 -7.993 4.149 157 HA LEU 20 HA LEU 20 3.949 -8.723 1.540 158 HG LEU 20 HG LEU 20 1.572 -6.752 2.741 159 HB2 LEU 20 2HB LEU 20 3.791 -6.011 2.836 160 HB3 LEU 20 1HB LEU 20 4.059 -6.286 1.127 161 HD11 LEU 20 1HD1 LEU 20 2.280 -4.568 1.488 162 HD12 LEU 20 2HD1 LEU 20 0.617 -5.148 1.382 163 HD13 LEU 20 3HD1 LEU 20 1.745 -5.451 0.059 164 HD21 LEU 20 3HD2 LEU 20 0.605 -7.702 0.592 165 HD22 LEU 20 1HD2 LEU 20 1.678 -8.770 1.495 166 HD23 LEU 20 2HD2 LEU 20 2.265 -7.939 0.053 167 H CYS 21 H CYS 21 5.595 -7.030 4.202 168 HA CYS 21 HA CYS 21 7.986 -6.496 2.874 169 HG CYS 21 HG CYS 21 6.528 -7.682 6.382 170 HB2 CYS 21 2HB CYS 21 9.023 -6.347 5.088 171 HB3 CYS 21 1HB CYS 21 7.440 -5.576 5.103 172 H LYS 22 H LYS 22 6.875 -9.390 4.503 173 HA LYS 22 HA LYS 22 9.377 -10.776 4.138 174 HB2 LYS 22 2HB LYS 22 6.676 -11.848 4.960 175 HB3 LYS 22 1HB LYS 22 8.208 -12.701 5.083 176 HG2 LYS 22 2HG LYS 22 8.724 -11.716 7.015 177 HG3 LYS 22 1HG LYS 22 8.251 -10.119 6.432 178 HD2 LYS 22 2HD LYS 22 6.797 -10.626 8.232 179 HD3 LYS 22 1HD LYS 22 5.852 -10.850 6.757 180 HE2 LYS 22 2HE LYS 22 5.344 -12.706 8.092 181 HE3 LYS 22 1HE LYS 22 6.499 -13.299 6.898 182 HZ1 LYS 22 3HZ LYS 22 7.125 -12.537 9.700 183 HZ2 LYS 22 1HZ LYS 22 8.256 -13.061 8.556 184 HZ3 LYS 22 2HZ LYS 22 7.045 -14.113 9.093 185 H HIS 23 H HIS 23 6.510 -10.233 2.329 186 HA HIS 23 HA HIS 23 6.807 -12.565 0.650 187 HD1 HIS 23 1HD HIS 23 5.737 -11.183 -2.355 188 HD2 HIS 23 2HD HIS 23 3.093 -13.388 -0.030 189 HE1 HIS 23 1HE HIS 23 4.532 -12.698 -3.961 190 HE2 HIS 23 2HE HIS 23 2.878 -13.963 -2.543 191 HB2 HIS 23 2HB HIS 23 4.580 -11.553 1.258 192 HB3 HIS 23 1HB HIS 23 4.984 -10.204 0.201 193 H TRP 24 H TRP 24 6.777 -9.032 -0.045 194 HA TRP 24 HA TRP 24 8.224 -9.592 -2.520 195 HD1 TRP 24 HD TRP 24 4.468 -7.324 -1.571 196 HE1 TRP 24 1HE TRP 24 2.814 -8.403 -3.222 197 HE3 TRP 24 3HE TRP 24 7.813 -9.371 -4.851 198 HZ2 TRP 24 2HZ TRP 24 2.915 -9.921 -5.600 199 HZ3 TRP 24 3HZ TRP 24 6.952 -10.620 -6.787 200 HH2 TRP 24 HH TRP 24 4.553 -10.890 -7.153 201 HB2 TRP 24 2HB TRP 24 7.000 -7.057 -1.428 202 HB3 TRP 24 1HB TRP 24 7.830 -7.172 -2.977 203 H GLY 25 H GLY 25 9.035 -8.768 0.686 204 HA2 GLY 25 2HA GLY 25 11.204 -6.996 0.155 205 HA3 GLY 25 1HA GLY 25 10.939 -7.890 1.639 206 H HIS 26 H HIS 26 11.799 -8.632 -1.741 207 HA HIS 26 HA HIS 26 13.839 -10.481 -0.705 208 HD1 HIS 26 1HD HIS 26 13.874 -12.452 -0.375 209 HD2 HIS 26 2HD HIS 26 10.711 -12.978 -3.018 210 HE1 HIS 26 1HE HIS 26 12.761 -14.594 0.327 211 HE2 HIS 26 2HE HIS 26 10.900 -14.935 -1.338 212 HB2 HIS 26 2HB HIS 26 12.038 -10.563 -3.069 213 HB3 HIS 26 1HB HIS 26 13.658 -11.219 -3.277 214 H LYS 27 H LYS 27 13.208 -7.733 -2.736 215 HA LYS 27 HA LYS 27 16.080 -7.231 -2.934 216 HB2 LYS 27 2HB LYS 27 15.672 -8.453 -4.980 217 HB3 LYS 27 1HB LYS 27 14.249 -7.488 -5.335 218 HG2 LYS 27 2HG LYS 27 16.636 -5.851 -5.067 219 HG3 LYS 27 1HG LYS 27 16.802 -7.090 -6.312 220 HD2 LYS 27 2HD LYS 27 14.304 -5.461 -6.199 221 HD3 LYS 27 1HD LYS 27 15.768 -4.750 -6.881 222 HE2 LYS 27 2HE LYS 27 15.407 -7.394 -7.923 223 HE3 LYS 27 1HE LYS 27 13.922 -6.468 -8.137 224 HZ1 LYS 27 3HZ LYS 27 16.607 -5.506 -8.959 225 HZ2 LYS 27 1HZ LYS 27 15.116 -4.784 -9.303 226 HZ3 LYS 27 2HZ LYS 27 15.517 -6.270 -10.002 227 H PHE 28 H PHE 28 13.763 -6.096 -1.530 228 HA PHE 28 HA PHE 28 14.054 -3.344 -2.456 229 HD1 PHE 28 2HD PHE 28 12.017 -5.456 -4.535 230 HD2 PHE 28 1HD PHE 28 11.575 -1.422 -3.246 231 HE1 PHE 28 2HE PHE 28 11.702 -4.748 -6.869 232 HE2 PHE 28 1HE PHE 28 11.250 -0.714 -5.570 233 HZ PHE 28 HZ PHE 28 11.316 -2.371 -7.391 234 HB2 PHE 28 2HB PHE 28 11.522 -4.883 -2.192 235 HB3 PHE 28 1HB PHE 28 11.509 -3.201 -1.673 236 H GLU 29 H GLU 29 13.825 -1.772 -0.835 237 HA GLU 29 HA GLU 29 14.508 -2.700 1.806 238 HB2 GLU 29 2HB GLU 29 14.314 -0.162 2.300 239 HB3 GLU 29 1HB GLU 29 15.620 -0.720 1.263 240 HG2 GLU 29 2HG GLU 29 13.117 0.024 -0.095 241 HG3 GLU 29 1HG GLU 29 14.005 1.335 0.679 242 H VAL 30 H VAL 30 12.664 -3.851 2.490 243 HA VAL 30 HA VAL 30 10.255 -2.221 2.835 244 HB VAL 30 HB VAL 30 9.144 -4.500 3.282 245 HG11 VAL 30 1HG1 VAL 30 8.833 -3.087 1.256 246 HG12 VAL 30 2HG1 VAL 30 8.669 -4.814 0.959 247 HG13 VAL 30 3HG1 VAL 30 10.147 -3.977 0.490 248 HG21 VAL 30 3HG2 VAL 30 11.356 -5.603 1.603 249 HG22 VAL 30 1HG2 VAL 30 10.173 -6.450 2.606 250 HG23 VAL 30 2HG2 VAL 30 11.510 -5.577 3.361 251 H GLU 31 H GLU 31 9.658 -1.585 4.783 252 HA GLU 31 HA GLU 31 10.940 -2.807 7.120 253 HB2 GLU 31 2HB GLU 31 10.359 -0.123 6.398 254 HB3 GLU 31 1HB GLU 31 9.357 -0.512 7.790 255 HG2 GLU 31 2HG GLU 31 11.140 -0.764 9.183 256 HG3 GLU 31 1HG GLU 31 12.226 -1.260 7.885 257 H LEU 32 H LEU 32 9.605 -3.234 9.027 258 HA LEU 32 HA LEU 32 6.760 -3.641 8.410 259 HG LEU 32 HG LEU 32 5.887 -6.262 8.290 260 HB2 LEU 32 2HB LEU 32 8.176 -5.726 8.101 261 HB3 LEU 32 1HB LEU 32 8.413 -5.716 9.836 262 HD11 LEU 32 1HD1 LEU 32 7.829 -7.793 9.746 263 HD12 LEU 32 2HD1 LEU 32 6.469 -8.344 8.766 264 HD13 LEU 32 3HD1 LEU 32 6.234 -7.979 10.475 265 HD21 LEU 32 3HD2 LEU 32 4.754 -6.334 10.550 266 HD22 LEU 32 1HD2 LEU 32 5.105 -4.723 9.923 267 HD23 LEU 32 2HD2 LEU 32 6.128 -5.426 11.177 268 H THR 33 H THR 33 5.745 -2.369 9.781 269 HA THR 33 HA THR 33 6.457 -2.560 12.655 270 HB THR 33 HB THR 33 5.364 -0.116 12.580 271 HG1 THR 33 1HG THR 33 6.667 -0.340 10.072 272 HG21 THR 33 3HG2 THR 33 8.237 -0.684 11.899 273 HG22 THR 33 1HG2 THR 33 7.545 -0.500 13.511 274 HG23 THR 33 2HG2 THR 33 7.606 0.880 12.413 275 HA PRO 34 HA PRO 34 2.165 -3.446 13.143 276 HB2 PRO 34 2HB PRO 34 1.550 -2.393 15.536 277 HB3 PRO 34 1HB PRO 34 2.645 -3.765 15.359 278 HG2 PRO 34 2HG PRO 34 3.280 -0.889 15.834 279 HG3 PRO 34 1HG PRO 34 4.044 -2.334 16.518 280 HD2 PRO 34 2HD PRO 34 5.059 -0.870 14.407 281 HD3 PRO 34 1HD PRO 34 5.452 -2.569 14.738 282 H GLU 35 H GLU 35 2.458 -1.362 11.422 283 HA GLU 35 HA GLU 35 0.011 0.091 11.830 284 HB2 GLU 35 2HB GLU 35 2.637 1.578 11.589 285 HB3 GLU 35 1HB GLU 35 1.047 2.318 11.488 286 HG2 GLU 35 2HG GLU 35 2.132 0.858 13.884 287 HG3 GLU 35 1HG GLU 35 2.110 2.607 13.678 288 H ARG 36 H ARG 36 2.889 -0.442 9.786 289 HA ARG 36 HA ARG 36 1.294 -0.842 7.498 290 HE ARG 36 HE ARG 36 4.642 4.157 7.791 291 HB2 ARG 36 2HB ARG 36 1.999 1.086 6.164 292 HB3 ARG 36 1HB ARG 36 1.082 1.596 7.571 293 HG2 ARG 36 2HG ARG 36 3.635 1.664 8.520 294 HG3 ARG 36 1HG ARG 36 3.860 2.129 6.834 295 HD2 ARG 36 2HD ARG 36 2.040 3.824 7.160 296 HD3 ARG 36 1HD ARG 36 2.081 3.440 8.880 297 HH11 ARG 36 1HH1 ARG 36 1.687 5.369 9.196 298 HH12 ARG 36 2HH1 ARG 36 2.409 6.840 9.756 299 HH21 ARG 36 1HH2 ARG 36 5.594 6.092 8.527 300 HH22 ARG 36 2HH2 ARG 36 4.627 7.250 9.375 301 H GLY 37 H GLY 37 2.580 -0.932 5.476 302 HA2 GLY 37 2HA GLY 37 5.226 -2.100 6.058 303 HA3 GLY 37 1HA GLY 37 4.198 -2.559 4.707 304 H PHE 38 H PHE 38 6.971 -0.894 5.330 305 HA PHE 38 HA PHE 38 6.461 1.235 3.376 306 HD1 PHE 38 2HD PHE 38 7.157 3.723 3.735 307 HD2 PHE 38 1HD PHE 38 10.763 1.521 4.288 308 HE1 PHE 38 2HE PHE 38 8.431 5.559 2.727 309 HE2 PHE 38 1HE PHE 38 12.039 3.353 3.264 310 HZ PHE 38 HZ PHE 38 10.874 5.374 2.475 311 HB2 PHE 38 2HB PHE 38 7.485 1.837 5.531 312 HB3 PHE 38 1HB PHE 38 8.804 0.718 5.225 313 H ILE 39 H ILE 39 6.917 0.806 1.333 314 HA ILE 39 HA ILE 39 9.263 -0.908 0.758 315 HB ILE 39 HB ILE 39 6.900 -0.940 -1.093 316 HG12 ILE 39 2HG1 ILE 39 7.181 -2.520 1.466 317 HG13 ILE 39 1HG1 ILE 39 5.762 -1.701 0.832 318 HG21 ILE 39 1HG2 ILE 39 8.206 -2.315 -2.241 319 HG22 ILE 39 2HG2 ILE 39 8.314 -3.413 -0.867 320 HG23 ILE 39 3HG2 ILE 39 9.474 -2.099 -1.038 321 HD11 ILE 39 3HD1 ILE 39 5.601 -4.151 0.760 322 HD12 ILE 39 1HD1 ILE 39 6.964 -4.186 -0.357 323 HD13 ILE 39 2HD1 ILE 39 5.455 -3.403 -0.829 324 H ASP 40 H ASP 40 10.695 0.647 0.044 325 HA ASP 40 HA ASP 40 9.655 2.522 -1.969 326 HB2 ASP 40 2HB ASP 40 11.747 3.886 -1.313 327 HB3 ASP 40 1HB ASP 40 10.360 3.883 -0.234 328 H PHE 41 H PHE 41 10.570 2.778 -3.855 329 HA PHE 41 HA PHE 41 12.543 0.810 -4.724 330 HD1 PHE 41 1HD PHE 41 13.775 0.759 -6.641 331 HD2 PHE 41 2HD PHE 41 9.743 0.766 -8.004 332 HE1 PHE 41 1HE PHE 41 14.363 -0.885 -8.371 333 HE2 PHE 41 2HE PHE 41 10.325 -0.882 -9.737 334 HZ PHE 41 HZ PHE 41 12.637 -1.708 -9.922 335 HB2 PHE 41 2HB PHE 41 10.306 1.732 -5.902 336 HB3 PHE 41 1HB PHE 41 11.456 2.868 -6.582 337 H GLY 42 H GLY 42 12.725 3.710 -3.304 338 HA2 GLY 42 2HA GLY 42 14.914 4.739 -3.037 339 HA3 GLY 42 1HA GLY 42 15.190 4.460 -4.753 340 H ASP 43 H ASP 43 13.905 5.695 -6.284 341 HA ASP 43 HA ASP 43 13.356 8.391 -5.292 342 HB2 ASP 43 2HB ASP 43 13.142 8.911 -7.772 343 HB3 ASP 43 1HB ASP 43 14.737 8.381 -7.244 344 H SER 44 H SER 44 11.579 6.709 -4.328 345 HA SER 44 HA SER 44 9.088 7.652 -4.778 346 HG SER 44 HG SER 44 10.496 4.827 -6.388 347 HB2 SER 44 2HB SER 44 8.222 5.504 -6.151 348 HB3 SER 44 1HB SER 44 8.750 6.980 -6.963 349 H ASN 45 H ASN 45 7.413 6.289 -3.643 350 HA ASN 45 HA ASN 45 8.455 3.911 -2.339 351 HB2 ASN 45 2HB ASN 45 7.285 5.859 -0.433 352 HB3 ASN 45 1HB ASN 45 8.567 4.679 -0.190 353 HD21 ASN 45 1HD2 ASN 45 10.308 5.701 0.466 354 HD22 ASN 45 2HD2 ASN 45 10.951 7.155 -0.208 355 H CYS 46 H CYS 46 6.757 2.980 -0.792 356 HA CYS 46 HA CYS 46 4.030 3.717 -1.417 357 HG CYS 46 HG CYS 46 2.489 0.785 -2.934 358 HB2 CYS 46 2HB CYS 46 5.010 2.106 -3.228 359 HB3 CYS 46 1HB CYS 46 4.750 0.873 -1.998 360 H GLU 47 H GLU 47 3.433 3.920 0.657 361 HA GLU 47 HA GLU 47 4.117 1.831 2.579 362 HB2 GLU 47 2HB GLU 47 4.252 4.472 2.852 363 HB3 GLU 47 1HB GLU 47 2.571 4.279 3.322 364 HG2 GLU 47 2HG GLU 47 3.103 3.222 5.279 365 HG3 GLU 47 1HG GLU 47 4.618 2.569 4.653 366 H LEU 48 H LEU 48 2.443 0.877 3.927 367 HA LEU 48 HA LEU 48 -0.281 1.126 2.861 368 HG LEU 48 HG LEU 48 -1.059 -2.082 3.706 369 HB2 LEU 48 2HB LEU 48 0.714 -0.764 1.665 370 HB3 LEU 48 1HB LEU 48 1.166 -1.517 3.181 371 HD11 LEU 48 1HD1 LEU 48 -2.403 -0.261 3.332 372 HD12 LEU 48 2HD1 LEU 48 -2.901 -1.325 2.018 373 HD13 LEU 48 3HD1 LEU 48 -1.784 0.001 1.700 374 HD21 LEU 48 3HD2 LEU 48 -1.875 -2.998 1.351 375 HD22 LEU 48 1HD2 LEU 48 -0.525 -3.714 2.228 376 HD23 LEU 48 2HD2 LEU 48 -0.220 -2.584 0.910 377 H LEU 49 H LEU 49 -1.458 1.741 4.537 378 HA LEU 49 HA LEU 49 -0.749 0.882 7.241 379 HG LEU 49 HG LEU 49 -2.141 1.708 8.995 380 HB2 LEU 49 2HB LEU 49 -1.568 3.247 6.588 381 HB3 LEU 49 1HB LEU 49 -3.162 2.517 6.536 382 HD11 LEU 49 1HD1 LEU 49 -0.492 3.133 9.473 383 HD12 LEU 49 2HD1 LEU 49 -1.777 4.315 9.718 384 HD13 LEU 49 3HD1 LEU 49 -0.932 4.238 8.172 385 HD21 LEU 49 3HD2 LEU 49 -3.779 3.404 9.873 386 HD22 LEU 49 1HD2 LEU 49 -4.427 2.276 8.682 387 HD23 LEU 49 2HD2 LEU 49 -4.022 3.926 8.206 388 H ALA 50 H ALA 50 -1.769 -0.703 8.351 389 HA ALA 50 HA ALA 50 -4.327 -1.662 7.320 390 HB1 ALA 50 3HB ALA 50 -2.696 -2.945 6.128 391 HB2 ALA 50 1HB ALA 50 -3.537 -3.968 7.279 392 HB3 ALA 50 2HB ALA 50 -1.907 -3.409 7.636 393 H HIS 51 H HIS 51 -5.667 -1.652 8.935 394 HA HIS 51 HA HIS 51 -4.757 -2.528 11.562 395 HD1 HIS 51 1HD HIS 51 -7.758 0.027 13.644 396 HD2 HIS 51 2HD HIS 51 -3.840 -1.307 13.246 397 HE1 HIS 51 1HE HIS 51 -6.725 0.280 15.923 398 HE2 HIS 51 2HE HIS 51 -4.381 -0.609 15.676 399 HB2 HIS 51 2HB HIS 51 -5.929 -0.122 10.933 400 HB3 HIS 51 1HB HIS 51 -7.324 -1.073 11.416 401 HA PRO 52 HA PRO 52 -7.324 -6.085 11.742 402 HB2 PRO 52 2HB PRO 52 -9.060 -4.662 13.717 403 HB3 PRO 52 1HB PRO 52 -8.366 -6.288 13.789 404 HG2 PRO 52 2HG PRO 52 -7.255 -4.318 15.159 405 HG3 PRO 52 1HG PRO 52 -6.240 -5.498 14.313 406 HD2 PRO 52 2HD PRO 52 -6.874 -2.678 13.580 407 HD3 PRO 52 1HD PRO 52 -5.378 -3.592 13.330 408 H ASP 53 H ASP 53 -8.948 -3.034 11.094 409 HA ASP 53 HA ASP 53 -10.877 -4.552 9.516 410 HB2 ASP 53 2HB ASP 53 -11.835 -2.290 11.262 411 HB3 ASP 53 1HB ASP 53 -12.798 -3.476 10.387 412 H HIS 54 H HIS 54 -8.648 -2.138 9.424 413 HA HIS 54 HA HIS 54 -9.915 -1.146 7.015 414 HD1 HIS 54 1HD HIS 54 -7.261 1.987 8.620 415 HD2 HIS 54 2HD HIS 54 -9.914 0.222 11.285 416 HE1 HIS 54 1HE HIS 54 -6.362 2.511 10.908 417 HE2 HIS 54 2HE HIS 54 -8.070 1.568 12.499 418 HB2 HIS 54 2HB HIS 54 -9.458 1.228 7.543 419 HB3 HIS 54 1HB HIS 54 -10.670 0.500 8.582 420 H VAL 55 H VAL 55 -8.444 -0.002 5.541 421 HA VAL 55 HA VAL 55 -5.611 -0.345 6.149 422 HB VAL 55 HB VAL 55 -6.739 -2.319 4.819 423 HG11 VAL 55 1HG1 VAL 55 -7.005 -2.124 2.556 424 HG12 VAL 55 2HG1 VAL 55 -5.897 -0.757 2.433 425 HG13 VAL 55 3HG1 VAL 55 -7.521 -0.521 3.079 426 HG21 VAL 55 3HG2 VAL 55 -4.118 -1.153 3.918 427 HG22 VAL 55 1HG2 VAL 55 -4.622 -2.839 3.804 428 HG23 VAL 55 2HG2 VAL 55 -4.356 -2.105 5.384 429 H LEU 56 H LEU 56 -4.321 1.174 5.246 430 HA LEU 56 HA LEU 56 -5.591 3.138 3.450 431 HG LEU 56 HG LEU 56 -6.377 4.727 5.391 432 HB2 LEU 56 2HB LEU 56 -4.342 3.514 6.024 433 HB3 LEU 56 1HB LEU 56 -3.430 4.378 4.808 434 HD11 LEU 56 1HD1 LEU 56 -4.664 5.525 7.110 435 HD12 LEU 56 2HD1 LEU 56 -5.852 6.692 6.527 436 HD13 LEU 56 3HD1 LEU 56 -4.204 6.726 5.901 437 HD21 LEU 56 3HD2 LEU 56 -5.772 6.902 4.009 438 HD22 LEU 56 1HD2 LEU 56 -6.291 5.419 3.211 439 HD23 LEU 56 2HD2 LEU 56 -4.576 5.825 3.292 440 H MET 57 H MET 57 -4.356 3.950 1.767 441 HA MET 57 HA MET 57 -1.736 2.677 1.380 442 HB2 MET 57 2HB MET 57 -3.626 3.186 -0.896 443 HB3 MET 57 1HB MET 57 -2.221 2.128 -0.850 444 HG2 MET 57 2HG MET 57 -3.381 0.639 0.708 445 HG3 MET 57 1HG MET 57 -4.792 1.697 0.653 446 HE1 MET 57 3HE MET 57 -6.444 1.489 -2.370 447 HE2 MET 57 1HE MET 57 -6.424 1.731 -0.623 448 HE3 MET 57 2HE MET 57 -6.927 0.179 -1.293 449 H ILE 58 H ILE 58 -0.201 4.220 1.380 450 HA ILE 58 HA ILE 58 -0.810 6.750 0.009 451 HB ILE 58 HB ILE 58 1.004 6.415 2.404 452 HG12 ILE 58 2HG1 ILE 58 -1.862 6.711 2.269 453 HG13 ILE 58 1HG1 ILE 58 -0.842 6.506 3.678 454 HG21 ILE 58 1HG2 ILE 58 1.659 8.197 0.868 455 HG22 ILE 58 2HG2 ILE 58 1.095 8.843 2.409 456 HG23 ILE 58 3HG2 ILE 58 0.043 8.896 0.993 457 HD11 ILE 58 3HD1 ILE 58 -0.649 8.797 4.025 458 HD12 ILE 58 1HD1 ILE 58 -2.333 8.575 3.551 459 HD13 ILE 58 2HD1 ILE 58 -1.160 9.189 2.383 460 H LEU 59 H LEU 59 0.692 7.488 -1.416 461 HA LEU 59 HA LEU 59 3.163 5.906 -1.679 462 HG LEU 59 HG LEU 59 1.392 7.168 -5.355 463 HB2 LEU 59 2HB LEU 59 3.043 5.956 -3.998 464 HB3 LEU 59 1HB LEU 59 1.393 5.642 -3.508 465 HD11 LEU 59 1HD1 LEU 59 -0.281 7.489 -3.602 466 HD12 LEU 59 2HD1 LEU 59 0.128 8.993 -4.430 467 HD13 LEU 59 3HD1 LEU 59 0.782 8.663 -2.827 468 HD21 LEU 59 3HD2 LEU 59 2.667 9.420 -3.993 469 HD22 LEU 59 1HD2 LEU 59 2.777 8.893 -5.667 470 HD23 LEU 59 2HD2 LEU 59 3.761 8.112 -4.435 471 H ASN 60 H ASN 60 5.061 6.970 -2.114 472 HA ASN 60 HA ASN 60 4.931 9.916 -2.098 473 HB2 ASN 60 2HB ASN 60 7.257 8.375 -0.957 474 HB3 ASN 60 1HB ASN 60 6.826 10.063 -0.697 475 HD21 ASN 60 1HD2 ASN 60 5.548 6.793 -0.188 476 HD22 ASN 60 2HD2 ASN 60 4.840 7.126 1.352 477 H SER 61 H SER 61 5.258 10.365 -4.211 478 HA SER 61 HA SER 61 7.816 9.488 -5.344 479 HG SER 61 HG SER 61 5.878 7.230 -5.221 480 HB2 SER 61 2HB SER 61 5.674 9.133 -7.304 481 HB3 SER 61 1HB SER 61 7.037 8.088 -6.922 482 HA PRO 62 HA PRO 62 7.909 13.639 -6.888 483 HB2 PRO 62 2HB PRO 62 9.883 13.268 -8.716 484 HB3 PRO 62 1HB PRO 62 10.148 13.413 -6.978 485 HG2 PRO 62 2HG PRO 62 9.947 10.925 -8.643 486 HG3 PRO 62 1HG PRO 62 11.148 11.346 -7.404 487 HD2 PRO 62 2HD PRO 62 9.108 9.739 -6.838 488 HD3 PRO 62 1HD PRO 62 9.666 10.943 -5.662 489 H ASP 63 H ASP 63 6.999 10.944 -8.859 490 HA ASP 63 HA ASP 63 5.981 12.867 -10.833 491 HB2 ASP 63 2HB ASP 63 6.474 11.221 -12.638 492 HB3 ASP 63 1HB ASP 63 7.923 11.849 -11.857 493 H GLU 64 H GLU 64 3.974 12.288 -11.828 494 HA GLU 64 HA GLU 64 2.261 10.769 -10.132 495 HB2 GLU 64 2HB GLU 64 1.656 12.617 -11.949 496 HB3 GLU 64 1HB GLU 64 1.452 11.202 -12.982 497 HG2 GLU 64 2HG GLU 64 0.141 10.439 -10.748 498 HG3 GLU 64 1HG GLU 64 -0.166 12.172 -10.744 499 H ASP 65 H ASP 65 3.830 9.905 -13.257 500 HA ASP 65 HA ASP 65 2.673 7.438 -13.696 501 HB2 ASP 65 2HB ASP 65 4.429 8.563 -15.125 502 HB3 ASP 65 1HB ASP 65 5.629 8.023 -13.951 503 H SER 66 H SER 66 5.566 8.172 -11.781 504 HA SER 66 HA SER 66 5.910 5.626 -10.626 505 HG SER 66 HG SER 66 8.081 5.969 -9.042 506 HB2 SER 66 2HB SER 66 7.628 7.432 -10.556 507 HB3 SER 66 1HB SER 66 6.603 8.318 -9.423 508 H LEU 67 H LEU 67 4.500 8.560 -9.347 509 HA LEU 67 HA LEU 67 3.473 7.889 -6.954 510 HG LEU 67 HG LEU 67 1.131 9.499 -6.480 511 HB2 LEU 67 2HB LEU 67 3.222 10.098 -7.675 512 HB3 LEU 67 1HB LEU 67 2.458 9.634 -9.166 513 HD11 LEU 67 1HD1 LEU 67 1.539 11.687 -8.347 514 HD12 LEU 67 2HD1 LEU 67 1.080 11.715 -6.645 515 HD13 LEU 67 3HD1 LEU 67 -0.142 11.437 -7.885 516 HD21 LEU 67 3HD2 LEU 67 0.245 8.883 -9.249 517 HD22 LEU 67 1HD2 LEU 67 -0.911 9.590 -8.122 518 HD23 LEU 67 2HD2 LEU 67 -0.136 8.054 -7.739 519 H ALA 68 H ALA 68 1.553 7.531 -9.957 520 HA ALA 68 HA ALA 68 -0.501 6.056 -8.692 521 HB1 ALA 68 3HB ALA 68 -0.712 7.278 -10.870 522 HB2 ALA 68 1HB ALA 68 -1.350 5.634 -10.894 523 HB3 ALA 68 2HB ALA 68 0.215 5.983 -11.627 524 H HIS 69 H HIS 69 2.519 5.150 -10.234 525 HA HIS 69 HA HIS 69 2.119 2.425 -10.604 526 HD1 HIS 69 1HD HIS 69 3.248 0.519 -10.203 527 HD2 HIS 69 2HD HIS 69 6.524 2.362 -11.975 528 HE1 HIS 69 1HE HIS 69 4.588 -1.342 -11.235 529 HE2 HIS 69 2HE HIS 69 6.609 -0.211 -12.228 530 HB2 HIS 69 2HB HIS 69 4.155 3.895 -11.222 531 HB3 HIS 69 1HB HIS 69 4.732 3.527 -9.600 532 H MET 70 H MET 70 2.933 4.250 -7.724 533 HA MET 70 HA MET 70 3.293 1.887 -6.101 534 HB2 MET 70 2HB MET 70 2.823 4.319 -4.580 535 HB3 MET 70 1HB MET 70 4.220 3.264 -4.578 536 HG2 MET 70 2HG MET 70 3.716 5.419 -6.616 537 HG3 MET 70 1HG MET 70 4.735 5.588 -5.191 538 HE1 MET 70 3HE MET 70 7.583 3.239 -5.659 539 HE2 MET 70 1HE MET 70 6.193 2.154 -5.708 540 HE3 MET 70 2HE MET 70 6.202 3.526 -4.599 541 H GLN 71 H GLN 71 0.871 4.563 -6.000 542 HA GLN 71 HA GLN 71 -0.794 3.415 -4.130 543 HB2 GLN 71 2HB GLN 71 -2.673 4.701 -5.421 544 HB3 GLN 71 1HB GLN 71 -1.444 5.572 -4.526 545 HG2 GLN 71 2HG GLN 71 -0.792 6.624 -6.359 546 HG3 GLN 71 1HG GLN 71 -0.636 5.113 -7.253 547 HE21 GLN 71 1HE2 GLN 71 -2.757 4.156 -7.968 548 HE22 GLN 71 2HE2 GLN 71 -3.937 5.256 -8.590 549 H ASN 72 H ASN 72 -0.450 2.572 -7.482 550 HA ASN 72 HA ASN 72 -2.904 1.050 -7.553 551 HB2 ASN 72 2HB ASN 72 -1.557 2.207 -9.526 552 HB3 ASN 72 1HB ASN 72 -0.760 0.639 -9.583 553 HD21 ASN 72 1HD2 ASN 72 -2.501 1.912 -11.533 554 HD22 ASN 72 2HD2 ASN 72 -3.822 0.827 -11.780 555 H VAL 73 H VAL 73 0.574 0.333 -7.412 556 HA VAL 73 HA VAL 73 0.610 -2.386 -7.582 557 HB VAL 73 HB VAL 73 2.235 -0.491 -5.916 558 HG11 VAL 73 1HG1 VAL 73 2.159 -3.435 -5.678 559 HG12 VAL 73 2HG1 VAL 73 2.637 -2.209 -4.503 560 HG13 VAL 73 3HG1 VAL 73 3.755 -2.691 -5.778 561 HG21 VAL 73 3HG2 VAL 73 2.319 -1.072 -8.540 562 HG22 VAL 73 1HG2 VAL 73 3.440 -2.284 -7.921 563 HG23 VAL 73 2HG2 VAL 73 3.728 -0.574 -7.604 564 H VAL 74 H VAL 74 -0.268 -0.454 -4.751 565 HA VAL 74 HA VAL 74 -0.600 -2.711 -3.029 566 HB VAL 74 HB VAL 74 -1.655 0.102 -2.736 567 HG11 VAL 74 1HG1 VAL 74 -2.893 -1.646 -1.418 568 HG12 VAL 74 2HG1 VAL 74 -2.134 -0.378 -0.457 569 HG13 VAL 74 3HG1 VAL 74 -1.384 -1.968 -0.566 570 HG21 VAL 74 3HG2 VAL 74 0.412 0.675 -2.162 571 HG22 VAL 74 1HG2 VAL 74 0.968 -0.973 -2.455 572 HG23 VAL 74 2HG2 VAL 74 0.377 -0.511 -0.860 573 H ALA 75 H ALA 75 -2.901 -0.630 -4.826 574 HA ALA 75 HA ALA 75 -5.289 -1.708 -3.996 575 HB1 ALA 75 3HB ALA 75 -6.171 -1.109 -6.247 576 HB2 ALA 75 1HB ALA 75 -4.518 -0.765 -6.756 577 HB3 ALA 75 2HB ALA 75 -5.263 0.187 -5.471 578 H ASP 76 H ASP 76 -2.832 -3.111 -5.963 579 HA ASP 76 HA ASP 76 -4.457 -5.207 -7.064 580 HB2 ASP 76 2HB ASP 76 -2.060 -4.161 -7.766 581 HB3 ASP 76 1HB ASP 76 -1.530 -5.602 -6.903 582 H HIS 77 H HIS 77 -2.206 -4.886 -4.359 583 HA HIS 77 HA HIS 77 -2.155 -7.612 -3.635 584 HD1 HIS 77 1HD HIS 77 0.942 -4.733 -1.637 585 HD2 HIS 77 2HD HIS 77 -0.018 -7.569 -4.519 586 HE1 HIS 77 1HE HIS 77 3.043 -5.072 -2.972 587 HE2 HIS 77 2HE HIS 77 2.417 -6.734 -4.759 588 HB2 HIS 77 2HB HIS 77 -1.644 -5.150 -1.970 589 HB3 HIS 77 1HB HIS 77 -1.371 -6.771 -1.404 590 H LEU 78 H LEU 78 -4.249 -4.956 -2.519 591 HA LEU 78 HA LEU 78 -5.591 -6.387 -0.524 592 HG LEU 78 HG LEU 78 -4.840 -3.191 -0.777 593 HB2 LEU 78 2HB LEU 78 -6.462 -4.064 -2.237 594 HB3 LEU 78 1HB LEU 78 -7.437 -4.698 -0.929 595 HD11 LEU 78 1HD1 LEU 78 -7.414 -2.881 0.751 596 HD12 LEU 78 2HD1 LEU 78 -7.050 -2.032 -0.751 597 HD13 LEU 78 3HD1 LEU 78 -6.057 -1.757 0.680 598 HD21 LEU 78 3HD2 LEU 78 -5.959 -5.127 1.218 599 HD22 LEU 78 1HD2 LEU 78 -5.068 -3.705 1.753 600 HD23 LEU 78 2HD2 LEU 78 -4.288 -4.892 0.710 601 H GLN 79 H GLN 79 -5.815 -6.574 -3.954 602 HA GLN 79 HA GLN 79 -8.471 -7.572 -4.124 603 HB2 GLN 79 2HB GLN 79 -6.238 -8.074 -6.087 604 HB3 GLN 79 1HB GLN 79 -7.967 -8.097 -6.403 605 HG2 GLN 79 2HG GLN 79 -7.378 -5.558 -5.352 606 HG3 GLN 79 1HG GLN 79 -6.133 -5.918 -6.543 607 HE21 GLN 79 1HE2 GLN 79 -7.857 -3.867 -6.978 608 HE22 GLN 79 2HE2 GLN 79 -8.944 -4.266 -8.261 609 H ARG 80 H ARG 80 -5.371 -9.289 -4.585 610 HA ARG 80 HA ARG 80 -6.492 -11.844 -4.622 611 HE ARG 80 HE ARG 80 -3.615 -11.871 -1.841 612 HB2 ARG 80 2HB ARG 80 -4.106 -12.564 -3.932 613 HB3 ARG 80 1HB ARG 80 -4.354 -11.779 -5.484 614 HG2 ARG 80 2HG ARG 80 -2.956 -10.159 -4.954 615 HG3 ARG 80 1HG ARG 80 -3.831 -9.813 -3.461 616 HD2 ARG 80 2HD ARG 80 -1.766 -11.985 -3.807 617 HD3 ARG 80 1HD ARG 80 -1.466 -10.412 -3.071 618 HH11 ARG 80 1HH1 ARG 80 -0.163 -11.364 -1.890 619 HH12 ARG 80 2HH1 ARG 80 0.066 -11.905 -0.261 620 HH21 ARG 80 1HH2 ARG 80 -3.316 -12.584 0.301 621 HH22 ARG 80 2HH2 ARG 80 -1.724 -12.597 0.983 622 H MET 81 H MET 81 -5.687 -9.816 -1.899 623 HA MET 81 HA MET 81 -5.661 -11.993 -0.030 624 HB2 MET 81 2HB MET 81 -5.529 -10.307 1.711 625 HB3 MET 81 1HB MET 81 -4.387 -9.961 0.429 626 HG2 MET 81 2HG MET 81 -5.349 -7.915 1.158 627 HG3 MET 81 1HG MET 81 -5.958 -8.265 -0.453 628 HE1 MET 81 3HE MET 81 -7.401 -6.202 0.353 629 HE2 MET 81 1HE MET 81 -7.411 -6.229 2.116 630 HE3 MET 81 2HE MET 81 -8.923 -6.385 1.222 631 H ALA 82 H ALA 82 -8.125 -10.160 -1.531 632 HA ALA 82 HA ALA 82 -10.073 -11.032 0.512 633 HB1 ALA 82 3HB ALA 82 -10.275 -8.842 -1.555 634 HB2 ALA 82 1HB ALA 82 -10.138 -8.653 0.194 635 HB3 ALA 82 2HB ALA 82 -11.598 -9.352 -0.506 636 H ASN 83 H ASN 83 -9.742 -10.680 -3.025 637 HA ASN 83 HA ASN 83 -10.549 -11.912 -4.757 638 HB2 ASN 83 2HB ASN 83 -10.824 -14.061 -2.643 639 HB3 ASN 83 1HB ASN 83 -10.929 -14.325 -4.381 640 HD21 ASN 83 1HD2 ASN 83 -9.065 -15.382 -2.365 641 HD22 ASN 83 2HD2 ASN 83 -7.486 -14.976 -2.938 642 H SER 84 H SER 84 -12.392 -10.879 -5.326 643 HA SER 84 HA SER 84 -14.856 -12.129 -5.109 644 HG SER 84 HG SER 84 -16.030 -12.428 -3.308 645 HB2 SER 84 2HB SER 84 -14.293 -10.939 -2.689 646 HB3 SER 84 1HB SER 84 -15.259 -9.707 -3.499 647 H GLU 85 H GLU 85 -13.177 -9.051 -5.337 648 HA GLU 85 HA GLU 85 -14.415 -8.471 -7.863 649 HB2 GLU 85 2HB GLU 85 -15.465 -6.384 -7.240 650 HB3 GLU 85 1HB GLU 85 -16.136 -7.676 -6.255 651 HG2 GLU 85 2HG GLU 85 -14.819 -7.003 -4.368 652 HG3 GLU 85 1HG GLU 85 -13.952 -5.816 -5.341 653 H SER 86 H SER 86 -13.612 -6.237 -8.662 654 HA SER 86 HA SER 86 -10.776 -6.197 -8.322 655 HG SER 86 HG SER 86 -10.104 -4.392 -10.712 656 HB2 SER 86 2HB SER 86 -11.769 -5.633 -10.484 657 HB3 SER 86 1HB SER 86 -12.612 -4.263 -9.761 658 H LEU 87 H LEU 87 -11.018 -5.932 -5.953 659 HA LEU 87 HA LEU 87 -11.430 -4.607 -4.037 660 HG LEU 87 HG LEU 87 -7.981 -4.710 -3.239 661 HB2 LEU 87 2HB LEU 87 -8.864 -4.348 -5.287 662 HB3 LEU 87 1HB LEU 87 -9.288 -2.815 -4.553 663 HD11 LEU 87 1HD1 LEU 87 -9.106 -3.699 -1.137 664 HD12 LEU 87 2HD1 LEU 87 -9.977 -2.693 -2.295 665 HD13 LEU 87 3HD1 LEU 87 -8.215 -2.640 -2.230 666 HD21 LEU 87 3HD2 LEU 87 -9.847 -6.348 -3.451 667 HD22 LEU 87 1HD2 LEU 87 -10.839 -5.275 -2.463 668 HD23 LEU 87 2HD2 LEU 87 -9.383 -6.000 -1.788 669 H GLU 88 H GLU 88 -13.079 -3.241 -3.752 670 HA GLU 88 HA GLU 88 -13.446 -0.920 -5.385 671 HB2 GLU 88 2HB GLU 88 -15.310 -2.089 -4.184 672 HB3 GLU 88 1HB GLU 88 -14.628 -1.527 -2.663 673 HG2 GLU 88 2HG GLU 88 -15.532 0.494 -2.878 674 HG3 GLU 88 1HG GLU 88 -15.058 0.624 -4.571 675 H ILE 89 H ILE 89 -11.680 0.412 -5.312 676 HA ILE 89 HA ILE 89 -11.083 1.585 -2.696 677 HB ILE 89 HB ILE 89 -8.747 1.490 -2.964 678 HG12 ILE 89 2HG1 ILE 89 -8.906 2.046 -5.516 679 HG13 ILE 89 1HG1 ILE 89 -7.534 1.135 -4.915 680 HG21 ILE 89 1HG2 ILE 89 -8.273 -0.915 -3.469 681 HG22 ILE 89 2HG2 ILE 89 -9.972 -1.076 -3.908 682 HG23 ILE 89 3HG2 ILE 89 -9.525 -0.621 -2.266 683 HD11 ILE 89 3HD1 ILE 89 -8.574 -0.939 -5.652 684 HD12 ILE 89 1HD1 ILE 89 -8.373 0.199 -6.985 685 HD13 ILE 89 2HD1 ILE 89 -9.962 -0.028 -6.254 686 H ALA 90 H ALA 90 -11.118 3.811 -2.698 687 HA ALA 90 HA ALA 90 -11.294 5.086 -5.334 688 HB1 ALA 90 3HB ALA 90 -11.809 6.464 -2.709 689 HB2 ALA 90 1HB ALA 90 -13.053 5.511 -3.525 690 HB3 ALA 90 2HB ALA 90 -12.356 6.921 -4.320 691 H TRP 91 H TRP 91 -9.422 5.706 -6.115 692 HA TRP 91 HA TRP 91 -7.273 6.505 -4.324 693 HD1 TRP 91 HD TRP 91 -8.020 7.793 -8.322 694 HE1 TRP 91 1HE TRP 91 -9.031 6.588 -10.358 695 HE3 TRP 91 3HE TRP 91 -6.939 2.964 -7.029 696 HZ2 TRP 91 2HZ TRP 91 -9.330 3.944 -11.294 697 HZ3 TRP 91 3HZ TRP 91 -7.622 1.156 -8.553 698 HH2 TRP 91 HH TRP 91 -8.793 1.638 -10.640 699 HB2 TRP 91 2HB TRP 91 -5.986 6.686 -6.548 700 HB3 TRP 91 1HB TRP 91 -6.459 5.084 -5.998 701 H GLN 92 H GLN 92 -6.544 8.520 -4.055 702 HA GLN 92 HA GLN 92 -8.110 10.676 -5.221 703 HB2 GLN 92 2HB GLN 92 -5.960 10.672 -3.095 704 HB3 GLN 92 1HB GLN 92 -6.820 12.109 -3.630 705 HG2 GLN 92 2HG GLN 92 -8.930 11.118 -2.883 706 HG3 GLN 92 1HG GLN 92 -8.053 9.693 -2.327 707 HE21 GLN 92 1HE2 GLN 92 -9.344 10.547 -0.376 708 HE22 GLN 92 2HE2 GLN 92 -8.468 11.585 0.693 709 HA PRO 93 HA PRO 93 -5.444 12.069 -8.423 710 HB2 PRO 93 2HB PRO 93 -5.329 14.659 -6.960 711 HB3 PRO 93 1HB PRO 93 -5.692 14.347 -8.660 712 HG2 PRO 93 2HG PRO 93 -7.642 14.921 -6.932 713 HG3 PRO 93 1HG PRO 93 -7.879 13.724 -8.218 714 HD2 PRO 93 2HD PRO 93 -7.491 13.316 -5.301 715 HD3 PRO 93 1HD PRO 93 -8.399 12.337 -6.469 716 H ALA 94 H ALA 94 -4.520 13.083 -5.149 717 HA ALA 94 HA ALA 94 -2.498 12.554 -4.090 718 HB1 ALA 94 3HB ALA 94 -0.660 11.671 -5.144 719 HB2 ALA 94 1HB ALA 94 -0.939 12.589 -6.622 720 HB3 ALA 94 2HB ALA 94 -1.931 11.177 -6.266 721 H GLU 95 H GLU 95 -3.507 14.949 -4.053 722 HA GLU 95 HA GLU 95 -1.190 16.680 -4.214 723 HB2 GLU 95 2HB GLU 95 -2.786 16.714 -6.390 724 HB3 GLU 95 1HB GLU 95 -3.614 17.904 -5.394 725 HG2 GLU 95 2HG GLU 95 -0.963 18.625 -5.182 726 HG3 GLU 95 1HG GLU 95 -1.119 18.107 -6.860 727 H SER 96 H SER 96 -1.105 17.869 -2.430 728 HA SER 96 HA SER 96 -1.688 18.906 -0.492 729 HG SER 96 HG SER 96 -3.670 21.316 -0.312 730 HB2 SER 96 2HB SER 96 -3.548 19.770 -2.448 731 HB3 SER 96 1HB SER 96 -4.459 19.493 -0.964 Start of MODEL 20 1 HA MET 1 HA MET 1 7.043 13.258 -5.235 2 HB2 MET 1 2HB MET 1 7.602 12.901 -2.916 3 HB3 MET 1 1HB MET 1 8.975 13.628 -3.745 4 HG2 MET 1 2HG MET 1 7.309 15.673 -2.610 5 HG3 MET 1 1HG MET 1 7.733 14.482 -1.385 6 HE1 MET 1 3HE MET 1 9.880 16.568 -4.365 7 HE2 MET 1 1HE MET 1 10.176 17.775 -3.115 8 HE3 MET 1 2HE MET 1 8.525 17.287 -3.495 9 H PHE 2 H PHE 2 4.974 13.523 -5.785 10 HA PHE 2 HA PHE 2 3.175 15.180 -4.221 11 HD1 PHE 2 1HD PHE 2 3.697 16.605 -6.519 12 HD2 PHE 2 2HD PHE 2 3.045 12.759 -8.231 13 HE1 PHE 2 1HE PHE 2 4.999 17.267 -8.499 14 HE2 PHE 2 2HE PHE 2 4.342 13.418 -10.210 15 HZ PHE 2 HZ PHE 2 5.324 15.672 -10.347 16 HB2 PHE 2 2HB PHE 2 2.087 13.251 -6.209 17 HB3 PHE 2 1HB PHE 2 1.662 14.935 -5.940 18 H ARG 3 H ARG 3 1.003 14.016 -3.483 19 HA ARG 3 HA ARG 3 1.553 11.283 -2.662 20 HE ARG 3 HE ARG 3 4.504 12.318 1.709 21 HB2 ARG 3 2HB ARG 3 2.088 13.382 -0.874 22 HB3 ARG 3 1HB ARG 3 0.581 12.659 -0.322 23 HG2 ARG 3 2HG ARG 3 1.851 11.160 0.700 24 HG3 ARG 3 1HG ARG 3 2.140 10.478 -0.885 25 HD2 ARG 3 2HD ARG 3 4.289 11.023 -0.783 26 HD3 ARG 3 1HD ARG 3 3.892 12.705 -0.442 27 HH11 ARG 3 1HH1 ARG 3 3.518 9.275 0.313 28 HH12 ARG 3 2HH1 ARG 3 3.887 8.360 1.735 29 HH21 ARG 3 1HH2 ARG 3 4.990 11.115 3.581 30 HH22 ARG 3 2HH2 ARG 3 4.722 9.403 3.591 31 H SER 4 H SER 4 -0.159 10.068 -2.850 32 HA SER 4 HA SER 4 -2.853 11.241 -2.699 33 HG SER 4 HG SER 4 -4.349 9.085 -4.541 34 HB2 SER 4 2HB SER 4 -2.842 10.493 -4.893 35 HB3 SER 4 1HB SER 4 -1.632 9.249 -4.568 36 H THR 5 H THR 5 -4.528 9.603 -1.948 37 HA THR 5 HA THR 5 -3.389 7.458 -0.354 38 HB THR 5 HB THR 5 -4.417 8.132 1.720 39 HG1 THR 5 1HG THR 5 -5.435 10.317 0.237 40 HG21 THR 5 3HG2 THR 5 -3.203 10.713 0.846 41 HG22 THR 5 1HG2 THR 5 -2.200 9.272 1.009 42 HG23 THR 5 2HG2 THR 5 -3.094 9.884 2.396 43 H SER 6 H SER 6 -4.563 5.683 -0.368 44 HA SER 6 HA SER 6 -7.363 5.890 -1.277 45 HG SER 6 HG SER 6 -7.391 3.409 -3.298 46 HB2 SER 6 2HB SER 6 -5.765 4.628 -2.764 47 HB3 SER 6 1HB SER 6 -5.577 3.455 -1.461 48 H HIS 7 H HIS 7 -8.959 5.167 0.013 49 HA HIS 7 HA HIS 7 -8.184 3.746 2.485 50 HD1 HIS 7 1HD HIS 7 -11.402 3.028 3.389 51 HD2 HIS 7 2HD HIS 7 -9.555 6.100 5.489 52 HE1 HIS 7 1HE HIS 7 -12.017 2.660 5.796 53 HE2 HIS 7 2HE HIS 7 -10.831 4.489 7.057 54 HB2 HIS 7 2HB HIS 7 -9.100 6.028 2.842 55 HB3 HIS 7 1HB HIS 7 -10.593 5.529 2.061 56 H VAL 8 H VAL 8 -9.074 1.797 2.915 57 HA VAL 8 HA VAL 8 -11.488 0.974 1.463 58 HB VAL 8 HB VAL 8 -9.203 -0.957 1.696 59 HG11 VAL 8 1HG1 VAL 8 -11.449 -0.766 -0.305 60 HG12 VAL 8 2HG1 VAL 8 -11.488 -1.751 1.158 61 HG13 VAL 8 3HG1 VAL 8 -10.309 -2.097 -0.106 62 HG21 VAL 8 3HG2 VAL 8 -8.342 -0.382 -0.440 63 HG22 VAL 8 1HG2 VAL 8 -8.415 1.109 0.499 64 HG23 VAL 8 2HG2 VAL 8 -9.640 0.777 -0.725 65 H ARG 9 H ARG 9 -12.636 -0.807 2.464 66 HA ARG 9 HA ARG 9 -11.962 -1.054 5.314 67 HE ARG 9 HE ARG 9 -15.303 0.771 3.589 68 HB2 ARG 9 2HB ARG 9 -14.519 -1.077 3.829 69 HB3 ARG 9 1HB ARG 9 -14.397 -2.236 5.144 70 HG2 ARG 9 2HG ARG 9 -15.379 -0.248 5.999 71 HG3 ARG 9 1HG ARG 9 -13.742 -0.369 6.648 72 HD2 ARG 9 2HD ARG 9 -14.153 1.904 5.971 73 HD3 ARG 9 1HD ARG 9 -12.973 1.180 4.879 74 HH11 ARG 9 1HH1 ARG 9 -13.859 3.615 5.006 75 HH12 ARG 9 2HH1 ARG 9 -14.605 4.704 3.885 76 HH21 ARG 9 1HH2 ARG 9 -16.284 2.203 2.115 77 HH22 ARG 9 2HH2 ARG 9 -15.982 3.903 2.245 78 H THR 10 H THR 10 -10.631 -2.734 5.626 79 HA THR 10 HA THR 10 -11.423 -5.336 4.505 80 HB THR 10 HB THR 10 -9.143 -3.890 3.782 81 HG1 THR 10 1HG THR 10 -9.723 -6.650 3.496 82 HG21 THR 10 3HG2 THR 10 -8.279 -4.924 6.039 83 HG22 THR 10 1HG2 THR 10 -7.270 -4.881 4.588 84 HG23 THR 10 2HG2 THR 10 -8.110 -6.367 5.033 85 H GLU 11 H GLU 11 -10.690 -7.218 5.734 86 HA GLU 11 HA GLU 11 -10.376 -6.565 8.587 87 HB2 GLU 11 2HB GLU 11 -12.146 -8.306 7.252 88 HB3 GLU 11 1HB GLU 11 -11.023 -9.331 8.139 89 HG2 GLU 11 2HG GLU 11 -11.837 -7.155 9.797 90 HG3 GLU 11 1HG GLU 11 -13.261 -7.943 9.118 91 H SER 12 H SER 12 -8.824 -7.642 9.868 92 HA SER 12 HA SER 12 -6.804 -8.546 10.343 93 HG SER 12 HG SER 12 -5.496 -10.917 8.254 94 HB2 SER 12 2HB SER 12 -7.824 -10.631 9.699 95 HB3 SER 12 1HB SER 12 -7.505 -10.311 7.992 96 H ALA 13 H ALA 13 -7.082 -6.351 8.359 97 HA ALA 13 HA ALA 13 -5.293 -6.423 6.259 98 HB1 ALA 13 3HB ALA 13 -5.218 -4.079 6.334 99 HB2 ALA 13 1HB ALA 13 -5.536 -4.070 8.060 100 HB3 ALA 13 2HB ALA 13 -6.810 -4.527 6.942 101 H ALA 14 H ALA 14 -4.496 -5.313 9.533 102 HA ALA 14 HA ALA 14 -1.876 -4.674 9.302 103 HB1 ALA 14 3HB ALA 14 -3.231 -4.531 11.352 104 HB2 ALA 14 1HB ALA 14 -1.603 -5.154 11.629 105 HB3 ALA 14 2HB ALA 14 -2.977 -6.259 11.608 106 H ARG 15 H ARG 15 -3.059 -7.940 8.979 107 HA ARG 15 HA ARG 15 -0.549 -9.193 9.528 108 HE ARG 15 HE ARG 15 -1.450 -13.286 6.477 109 HB2 ARG 15 2HB ARG 15 -2.947 -10.174 9.643 110 HB3 ARG 15 1HB ARG 15 -2.754 -10.436 7.918 111 HG2 ARG 15 2HG ARG 15 -0.855 -11.476 10.000 112 HG3 ARG 15 1HG ARG 15 -2.207 -12.396 9.347 113 HD2 ARG 15 2HD ARG 15 -0.637 -11.296 7.212 114 HD3 ARG 15 1HD ARG 15 0.398 -12.191 8.318 115 HH11 ARG 15 1HH1 ARG 15 -0.202 -13.750 9.704 116 HH12 ARG 15 2HH1 ARG 15 -0.505 -15.455 9.710 117 HH21 ARG 15 1HH2 ARG 15 -1.849 -15.528 6.485 118 HH22 ARG 15 2HH2 ARG 15 -1.439 -16.464 7.883 119 H TYR 16 H TYR 16 -2.269 -8.299 6.541 120 HA TYR 16 HA TYR 16 -0.286 -9.433 4.859 121 HD1 TYR 16 2HD TYR 16 -1.945 -10.849 4.631 122 HD2 TYR 16 1HD TYR 16 -4.359 -7.569 3.386 123 HE1 TYR 16 2HE TYR 16 -3.916 -12.298 4.648 124 HE2 TYR 16 1HE TYR 16 -6.337 -9.020 3.406 125 HH TYR 16 HH TYR 16 -6.897 -11.373 3.269 126 HB2 TYR 16 2HB TYR 16 -2.150 -7.158 4.144 127 HB3 TYR 16 1HB TYR 16 -1.328 -8.243 3.033 128 H VAL 17 H VAL 17 -0.709 -6.258 6.326 129 HA VAL 17 HA VAL 17 1.438 -5.005 4.956 130 HB VAL 17 HB VAL 17 0.012 -4.403 7.518 131 HG11 VAL 17 1HG1 VAL 17 2.014 -3.857 8.476 132 HG12 VAL 17 2HG1 VAL 17 1.709 -2.370 7.586 133 HG13 VAL 17 3HG1 VAL 17 2.805 -3.579 6.923 134 HG21 VAL 17 3HG2 VAL 17 0.725 -2.817 5.066 135 HG22 VAL 17 1HG2 VAL 17 -0.197 -2.199 6.435 136 HG23 VAL 17 2HG2 VAL 17 -0.847 -3.514 5.453 137 H ASN 18 H ASN 18 1.221 -7.063 7.765 138 HA ASN 18 HA ASN 18 3.974 -6.820 8.474 139 HB2 ASN 18 2HB ASN 18 1.666 -8.464 9.397 140 HB3 ASN 18 1HB ASN 18 3.290 -9.006 9.808 141 HD21 ASN 18 1HD2 ASN 18 1.812 -5.791 9.582 142 HD22 ASN 18 2HD2 ASN 18 2.206 -5.310 11.193 143 H ARG 19 H ARG 19 2.077 -9.197 6.595 144 HA ARG 19 HA ARG 19 4.410 -10.893 6.330 145 HE ARG 19 HE ARG 19 2.033 -15.514 7.415 146 HB2 ARG 19 2HB ARG 19 1.653 -11.289 6.180 147 HB3 ARG 19 1HB ARG 19 2.237 -11.570 4.545 148 HG2 ARG 19 2HG ARG 19 2.816 -13.611 5.176 149 HG3 ARG 19 1HG ARG 19 4.048 -12.883 6.206 150 HD2 ARG 19 2HD ARG 19 2.482 -12.772 8.051 151 HD3 ARG 19 1HD ARG 19 1.204 -13.427 7.027 152 HH11 ARG 19 1HH1 ARG 19 4.530 -13.187 8.141 153 HH12 ARG 19 2HH1 ARG 19 5.629 -14.373 8.764 154 HH21 ARG 19 1HH2 ARG 19 3.475 -17.075 8.234 155 HH22 ARG 19 2HH2 ARG 19 5.030 -16.580 8.816 156 H LEU 20 H LEU 20 2.704 -8.581 4.281 157 HA LEU 20 HA LEU 20 3.764 -9.283 1.826 158 HG LEU 20 HG LEU 20 1.036 -7.919 2.840 159 HB2 LEU 20 2HB LEU 20 2.992 -6.587 2.895 160 HB3 LEU 20 1HB LEU 20 3.356 -6.895 1.210 161 HD11 LEU 20 1HD1 LEU 20 -0.157 -6.912 0.803 162 HD12 LEU 20 2HD1 LEU 20 1.393 -6.151 0.439 163 HD13 LEU 20 3HD1 LEU 20 0.571 -5.795 1.961 164 HD21 LEU 20 3HD2 LEU 20 1.615 -9.848 1.621 165 HD22 LEU 20 1HD2 LEU 20 2.043 -8.923 0.179 166 HD23 LEU 20 2HD2 LEU 20 0.357 -9.067 0.668 167 H CYS 21 H CYS 21 5.072 -6.962 4.194 168 HA CYS 21 HA CYS 21 7.221 -6.051 2.713 169 HG CYS 21 HG CYS 21 5.702 -6.446 6.411 170 HB2 CYS 21 2HB CYS 21 8.346 -5.748 5.003 171 HB3 CYS 21 1HB CYS 21 6.806 -4.937 4.745 172 H LYS 22 H LYS 22 6.946 -8.994 4.618 173 HA LYS 22 HA LYS 22 9.693 -9.746 4.226 174 HB2 LYS 22 2HB LYS 22 7.338 -11.390 5.163 175 HB3 LYS 22 1HB LYS 22 9.024 -11.879 5.249 176 HG2 LYS 22 2HG LYS 22 9.378 -10.726 7.125 177 HG3 LYS 22 1HG LYS 22 8.517 -9.307 6.528 178 HD2 LYS 22 2HD LYS 22 7.295 -10.086 8.405 179 HD3 LYS 22 1HD LYS 22 6.373 -10.573 6.981 180 HE2 LYS 22 2HE LYS 22 6.377 -12.454 8.380 181 HE3 LYS 22 1HE LYS 22 7.587 -12.794 7.142 182 HZ1 LYS 22 3HZ LYS 22 7.928 -12.328 9.993 183 HZ2 LYS 22 1HZ LYS 22 9.108 -11.652 8.986 184 HZ3 LYS 22 2HZ LYS 22 8.812 -13.317 8.945 185 H HIS 23 H HIS 23 6.783 -10.024 2.445 186 HA HIS 23 HA HIS 23 7.633 -12.308 0.892 187 HD1 HIS 23 1HD HIS 23 5.896 -12.264 3.271 188 HD2 HIS 23 2HD HIS 23 3.800 -13.692 -0.020 189 HE1 HIS 23 1HE HIS 23 4.615 -14.261 4.104 190 HE2 HIS 23 2HE HIS 23 3.411 -15.152 2.079 191 HB2 HIS 23 2HB HIS 23 5.207 -10.553 0.863 192 HB3 HIS 23 1HB HIS 23 5.528 -11.655 -0.467 193 H TRP 24 H TRP 24 6.693 -8.955 -0.070 194 HA TRP 24 HA TRP 24 7.969 -9.285 -2.608 195 HD1 TRP 24 HD TRP 24 4.373 -7.004 -1.052 196 HE1 TRP 24 1HE TRP 24 2.502 -8.061 -2.468 197 HE3 TRP 24 3HE TRP 24 7.228 -9.104 -4.737 198 HZ2 TRP 24 2HZ TRP 24 2.267 -9.582 -4.835 199 HZ3 TRP 24 3HZ TRP 24 6.103 -10.343 -6.539 200 HH2 TRP 24 HH TRP 24 3.673 -10.577 -6.586 201 HB2 TRP 24 2HB TRP 24 6.909 -6.830 -1.203 202 HB3 TRP 24 1HB TRP 24 7.497 -6.848 -2.863 203 H GLY 25 H GLY 25 9.186 -8.571 0.498 204 HA2 GLY 25 2HA GLY 25 11.294 -6.802 -0.215 205 HA3 GLY 25 1HA GLY 25 11.204 -7.780 1.239 206 H HIS 26 H HIS 26 11.868 -8.064 -2.240 207 HA HIS 26 HA HIS 26 13.769 -10.218 -1.594 208 HD1 HIS 26 1HD HIS 26 11.286 -12.294 -4.783 209 HD2 HIS 26 2HD HIS 26 13.595 -12.195 -1.330 210 HE1 HIS 26 1HE HIS 26 11.168 -14.618 -3.829 211 HE2 HIS 26 2HE HIS 26 12.647 -14.557 -1.790 212 HB2 HIS 26 2HB HIS 26 11.834 -9.848 -3.752 213 HB3 HIS 26 1HB HIS 26 13.440 -10.259 -4.342 214 H LYS 27 H LYS 27 13.352 -7.130 -3.182 215 HA LYS 27 HA LYS 27 16.259 -6.822 -3.273 216 HB2 LYS 27 2HB LYS 27 15.829 -7.730 -5.451 217 HB3 LYS 27 1HB LYS 27 14.459 -6.662 -5.695 218 HG2 LYS 27 2HG LYS 27 17.032 -5.304 -5.244 219 HG3 LYS 27 1HG LYS 27 16.921 -6.256 -6.725 220 HD2 LYS 27 2HD LYS 27 14.639 -4.479 -6.072 221 HD3 LYS 27 1HD LYS 27 16.139 -3.709 -6.587 222 HE2 LYS 27 2HE LYS 27 14.419 -5.659 -8.093 223 HE3 LYS 27 1HE LYS 27 14.890 -4.025 -8.554 224 HZ1 LYS 27 3HZ LYS 27 16.340 -5.203 -9.813 225 HZ2 LYS 27 1HZ LYS 27 16.398 -6.520 -8.751 226 HZ3 LYS 27 2HZ LYS 27 17.273 -5.114 -8.405 227 H PHE 28 H PHE 28 13.674 -5.620 -2.002 228 HA PHE 28 HA PHE 28 14.515 -2.856 -2.407 229 HD1 PHE 28 2HD PHE 28 13.370 -1.029 -4.169 230 HD2 PHE 28 1HD PHE 28 11.741 -4.934 -4.613 231 HE1 PHE 28 2HE PHE 28 13.575 -0.832 -6.614 232 HE2 PHE 28 1HE PHE 28 11.943 -4.746 -7.058 233 HZ PHE 28 HZ PHE 28 12.861 -2.693 -8.061 234 HB2 PHE 28 2HB PHE 28 11.671 -3.853 -2.515 235 HB3 PHE 28 1HB PHE 28 12.107 -2.153 -2.348 236 H GLU 29 H GLU 29 13.684 -1.384 -0.713 237 HA GLU 29 HA GLU 29 14.173 -2.596 1.849 238 HB2 GLU 29 2HB GLU 29 14.098 -0.370 2.748 239 HB3 GLU 29 1HB GLU 29 14.992 -0.322 1.236 240 HG2 GLU 29 2HG GLU 29 12.893 0.441 0.119 241 HG3 GLU 29 1HG GLU 29 12.168 0.588 1.722 242 H VAL 30 H VAL 30 12.678 -3.613 2.975 243 HA VAL 30 HA VAL 30 9.917 -2.602 2.847 244 HB VAL 30 HB VAL 30 9.553 -5.187 3.611 245 HG11 VAL 30 1HG1 VAL 30 9.579 -4.034 0.829 246 HG12 VAL 30 2HG1 VAL 30 8.206 -4.184 1.929 247 HG13 VAL 30 3HG1 VAL 30 8.929 -5.626 1.219 248 HG21 VAL 30 3HG2 VAL 30 10.944 -6.687 2.545 249 HG22 VAL 30 1HG2 VAL 30 12.081 -5.460 3.101 250 HG23 VAL 30 2HG2 VAL 30 11.563 -5.477 1.414 251 H GLU 31 H GLU 31 9.468 -1.625 4.716 252 HA GLU 31 HA GLU 31 10.714 -2.559 7.183 253 HB2 GLU 31 2HB GLU 31 10.137 -0.032 6.211 254 HB3 GLU 31 1HB GLU 31 8.875 -0.298 7.408 255 HG2 GLU 31 2HG GLU 31 10.364 -0.414 9.155 256 HG3 GLU 31 1HG GLU 31 11.711 -0.876 8.116 257 H LEU 32 H LEU 32 9.421 -2.879 9.115 258 HA LEU 32 HA LEU 32 6.596 -3.476 8.643 259 HG LEU 32 HG LEU 32 5.735 -6.038 8.771 260 HB2 LEU 32 2HB LEU 32 8.020 -5.538 8.294 261 HB3 LEU 32 1HB LEU 32 8.431 -5.450 9.994 262 HD11 LEU 32 1HD1 LEU 32 7.785 -7.539 10.325 263 HD12 LEU 32 2HD1 LEU 32 6.840 -8.039 8.923 264 HD13 LEU 32 3HD1 LEU 32 6.084 -7.965 10.516 265 HD21 LEU 32 3HD2 LEU 32 5.197 -4.568 10.550 266 HD22 LEU 32 1HD2 LEU 32 6.414 -5.284 11.607 267 HD23 LEU 32 2HD2 LEU 32 4.970 -6.199 11.181 268 H THR 33 H THR 33 5.619 -2.195 10.057 269 HA THR 33 HA THR 33 6.504 -2.329 12.884 270 HB THR 33 HB THR 33 5.637 0.081 13.029 271 HG1 THR 33 1HG THR 33 4.703 0.596 11.195 272 HG21 THR 33 3HG2 THR 33 8.129 -0.469 11.442 273 HG22 THR 33 1HG2 THR 33 7.994 -0.286 13.190 274 HG23 THR 33 2HG2 THR 33 7.704 1.097 12.134 275 HA PRO 34 HA PRO 34 2.268 -3.318 13.612 276 HB2 PRO 34 2HB PRO 34 1.824 -2.268 16.067 277 HB3 PRO 34 1HB PRO 34 2.817 -3.699 15.794 278 HG2 PRO 34 2HG PRO 34 3.657 -0.882 16.298 279 HG3 PRO 34 1HG PRO 34 4.375 -2.388 16.891 280 HD2 PRO 34 2HD PRO 34 5.371 -0.932 14.787 281 HD3 PRO 34 1HD PRO 34 5.626 -2.676 14.996 282 H GLU 35 H GLU 35 2.417 -1.257 11.900 283 HA GLU 35 HA GLU 35 0.017 0.190 12.430 284 HB2 GLU 35 2HB GLU 35 2.631 1.707 12.239 285 HB3 GLU 35 1HB GLU 35 1.034 2.443 12.166 286 HG2 GLU 35 2HG GLU 35 0.616 1.446 14.446 287 HG3 GLU 35 1HG GLU 35 2.337 1.062 14.488 288 H ARG 36 H ARG 36 2.896 -0.205 10.353 289 HA ARG 36 HA ARG 36 1.305 -0.571 8.060 290 HE ARG 36 HE ARG 36 0.494 4.802 8.348 291 HB2 ARG 36 2HB ARG 36 2.481 1.526 6.911 292 HB3 ARG 36 1HB ARG 36 0.909 1.647 7.673 293 HG2 ARG 36 2HG ARG 36 3.143 2.090 9.503 294 HG3 ARG 36 1HG ARG 36 3.056 3.253 8.180 295 HD2 ARG 36 2HD ARG 36 0.455 2.734 9.348 296 HD3 ARG 36 1HD ARG 36 1.611 3.313 10.546 297 HH11 ARG 36 1HH1 ARG 36 3.124 4.578 10.631 298 HH12 ARG 36 2HH1 ARG 36 3.513 6.263 10.537 299 HH21 ARG 36 1HH2 ARG 36 1.005 7.017 8.222 300 HH22 ARG 36 2HH2 ARG 36 2.311 7.647 9.170 301 H GLY 37 H GLY 37 2.574 -0.529 6.030 302 HA2 GLY 37 2HA GLY 37 5.246 -1.652 6.564 303 HA3 GLY 37 1HA GLY 37 4.236 -2.064 5.178 304 H PHE 38 H PHE 38 6.936 -1.135 5.000 305 HA PHE 38 HA PHE 38 6.485 1.357 3.488 306 HD1 PHE 38 1HD PHE 38 8.342 3.098 2.711 307 HD2 PHE 38 2HD PHE 38 7.556 3.143 6.902 308 HE1 PHE 38 1HE PHE 38 8.107 5.545 2.651 309 HE2 PHE 38 2HE PHE 38 7.315 5.586 6.833 310 HZ PHE 38 HZ PHE 38 7.591 6.790 4.705 311 HB2 PHE 38 2HB PHE 38 7.932 1.139 5.884 312 HB3 PHE 38 1HB PHE 38 9.151 1.217 4.620 313 H ILE 39 H ILE 39 6.870 0.854 1.420 314 HA ILE 39 HA ILE 39 9.236 -0.838 0.877 315 HB ILE 39 HB ILE 39 6.848 -0.924 -0.934 316 HG12 ILE 39 2HG1 ILE 39 7.305 -2.476 1.603 317 HG13 ILE 39 1HG1 ILE 39 5.818 -1.744 1.014 318 HG21 ILE 39 1HG2 ILE 39 8.008 -2.453 -2.080 319 HG22 ILE 39 2HG2 ILE 39 8.567 -3.265 -0.618 320 HG23 ILE 39 3HG2 ILE 39 9.405 -1.828 -1.204 321 HD11 ILE 39 3HD1 ILE 39 5.591 -3.476 -0.655 322 HD12 ILE 39 1HD1 ILE 39 5.762 -4.187 0.950 323 HD13 ILE 39 2HD1 ILE 39 7.130 -4.182 -0.161 324 H ASP 40 H ASP 40 10.710 0.563 0.032 325 HA ASP 40 HA ASP 40 9.732 2.602 -1.836 326 HB2 ASP 40 2HB ASP 40 11.194 4.016 -0.914 327 HB3 ASP 40 1HB ASP 40 11.617 2.782 0.259 328 H PHE 41 H PHE 41 10.401 2.734 -3.891 329 HA PHE 41 HA PHE 41 11.898 0.422 -4.905 330 HD1 PHE 41 1HD PHE 41 10.917 -1.162 -6.974 331 HD2 PHE 41 2HD PHE 41 7.959 1.306 -5.170 332 HE1 PHE 41 1HE PHE 41 9.410 -3.099 -6.809 333 HE2 PHE 41 2HE PHE 41 6.446 -0.627 -4.999 334 HZ PHE 41 HZ PHE 41 7.171 -2.833 -5.819 335 HB2 PHE 41 2HB PHE 41 9.863 2.276 -6.118 336 HB3 PHE 41 1HB PHE 41 10.940 1.352 -7.155 337 H GLY 42 H GLY 42 12.661 3.386 -3.906 338 HA2 GLY 42 2HA GLY 42 15.005 4.032 -4.399 339 HA3 GLY 42 1HA GLY 42 14.595 3.839 -6.097 340 H ASP 43 H ASP 43 13.441 5.442 -7.156 341 HA ASP 43 HA ASP 43 13.450 8.035 -5.822 342 HB2 ASP 43 2HB ASP 43 13.011 8.948 -8.071 343 HB3 ASP 43 1HB ASP 43 14.421 7.893 -8.069 344 H SER 44 H SER 44 11.629 6.543 -4.632 345 HA SER 44 HA SER 44 9.259 7.940 -4.723 346 HG SER 44 HG SER 44 8.607 4.422 -6.246 347 HB2 SER 44 2HB SER 44 8.011 7.078 -6.386 348 HB3 SER 44 1HB SER 44 9.434 6.225 -6.939 349 H ASN 45 H ASN 45 7.357 6.046 -3.886 350 HA ASN 45 HA ASN 45 8.523 4.124 -2.134 351 HB2 ASN 45 2HB ASN 45 8.147 6.851 -1.149 352 HB3 ASN 45 1HB ASN 45 7.320 5.651 -0.162 353 HD21 ASN 45 1HD2 ASN 45 10.304 7.041 -1.028 354 HD22 ASN 45 2HD2 ASN 45 11.315 6.064 -0.022 355 H CYS 46 H CYS 46 6.850 3.168 -0.616 356 HA CYS 46 HA CYS 46 4.101 3.778 -1.204 357 HG CYS 46 HG CYS 46 2.653 0.953 -3.061 358 HB2 CYS 46 2HB CYS 46 5.111 2.133 -3.016 359 HB3 CYS 46 1HB CYS 46 4.807 0.940 -1.758 360 H GLU 47 H GLU 47 3.583 3.995 0.880 361 HA GLU 47 HA GLU 47 4.404 1.985 2.829 362 HB2 GLU 47 2HB GLU 47 4.394 4.632 3.021 363 HB3 GLU 47 1HB GLU 47 2.732 4.366 3.526 364 HG2 GLU 47 2HG GLU 47 3.410 3.165 5.438 365 HG3 GLU 47 1HG GLU 47 5.060 2.983 4.834 366 H LEU 48 H LEU 48 2.756 0.947 4.214 367 HA LEU 48 HA LEU 48 0.054 1.032 3.053 368 HG LEU 48 HG LEU 48 -0.653 -2.371 3.734 369 HB2 LEU 48 2HB LEU 48 1.356 -0.920 2.140 370 HB3 LEU 48 1HB LEU 48 1.459 -1.554 3.768 371 HD11 LEU 48 1HD1 LEU 48 -1.507 -0.115 1.923 372 HD12 LEU 48 2HD1 LEU 48 -1.792 -0.231 3.662 373 HD13 LEU 48 3HD1 LEU 48 -2.561 -1.372 2.564 374 HD21 LEU 48 3HD2 LEU 48 -1.353 -3.019 1.415 375 HD22 LEU 48 1HD2 LEU 48 0.301 -3.443 1.857 376 HD23 LEU 48 2HD2 LEU 48 -0.006 -2.051 0.817 377 H LEU 49 H LEU 49 -1.367 1.531 4.555 378 HA LEU 49 HA LEU 49 -0.745 0.944 7.365 379 HG LEU 49 HG LEU 49 -1.471 2.376 8.981 380 HB2 LEU 49 2HB LEU 49 -1.618 3.255 6.399 381 HB3 LEU 49 1HB LEU 49 -3.173 2.467 6.557 382 HD11 LEU 49 1HD1 LEU 49 -1.363 4.733 7.719 383 HD12 LEU 49 2HD1 LEU 49 -1.422 4.579 9.476 384 HD13 LEU 49 3HD1 LEU 49 -2.895 4.932 8.571 385 HD21 LEU 49 3HD2 LEU 49 -4.351 3.131 8.498 386 HD22 LEU 49 1HD2 LEU 49 -3.594 2.788 10.054 387 HD23 LEU 49 2HD2 LEU 49 -3.777 1.503 8.857 388 H ALA 50 H ALA 50 -1.725 -0.685 8.426 389 HA ALA 50 HA ALA 50 -4.243 -1.697 7.341 390 HB1 ALA 50 3HB ALA 50 -3.431 -3.943 7.175 391 HB2 ALA 50 1HB ALA 50 -1.849 -3.458 7.776 392 HB3 ALA 50 2HB ALA 50 -2.420 -2.878 6.212 393 H HIS 51 H HIS 51 -5.619 -1.748 8.951 394 HA HIS 51 HA HIS 51 -4.719 -2.691 11.561 395 HD1 HIS 51 1HD HIS 51 -7.758 -0.112 13.656 396 HD2 HIS 51 2HD HIS 51 -3.942 -1.737 13.384 397 HE1 HIS 51 1HE HIS 51 -6.819 -0.018 15.985 398 HE2 HIS 51 2HE HIS 51 -4.544 -1.086 15.812 399 HB2 HIS 51 2HB HIS 51 -5.882 -0.274 11.032 400 HB3 HIS 51 1HB HIS 51 -7.296 -1.242 11.416 401 HA PRO 52 HA PRO 52 -7.269 -6.273 11.558 402 HB2 PRO 52 2HB PRO 52 -9.035 -4.965 13.584 403 HB3 PRO 52 1HB PRO 52 -8.313 -6.579 13.589 404 HG2 PRO 52 2HG PRO 52 -7.250 -4.651 15.054 405 HG3 PRO 52 1HG PRO 52 -6.207 -5.779 14.171 406 HD2 PRO 52 2HD PRO 52 -6.883 -2.941 13.545 407 HD3 PRO 52 1HD PRO 52 -5.366 -3.817 13.283 408 H ASP 53 H ASP 53 -8.905 -3.203 11.050 409 HA ASP 53 HA ASP 53 -10.840 -4.658 9.417 410 HB2 ASP 53 2HB ASP 53 -11.744 -4.064 11.756 411 HB3 ASP 53 1HB ASP 53 -11.792 -2.407 11.165 412 H HIS 54 H HIS 54 -8.575 -2.273 9.374 413 HA HIS 54 HA HIS 54 -9.834 -1.210 6.992 414 HD1 HIS 54 1HD HIS 54 -7.170 1.888 8.624 415 HD2 HIS 54 2HD HIS 54 -9.783 0.081 11.299 416 HE1 HIS 54 1HE HIS 54 -6.240 2.381 10.906 417 HE2 HIS 54 2HE HIS 54 -7.931 1.423 12.507 418 HB2 HIS 54 2HB HIS 54 -9.380 1.148 7.569 419 HB3 HIS 54 1HB HIS 54 -10.577 0.400 8.609 420 H VAL 55 H VAL 55 -8.360 -0.035 5.546 421 HA VAL 55 HA VAL 55 -5.530 -0.383 6.140 422 HB VAL 55 HB VAL 55 -6.635 -2.369 4.817 423 HG11 VAL 55 1HG1 VAL 55 -6.904 -2.181 2.548 424 HG12 VAL 55 2HG1 VAL 55 -5.839 -0.781 2.430 425 HG13 VAL 55 3HG1 VAL 55 -7.465 -0.597 3.083 426 HG21 VAL 55 3HG2 VAL 55 -4.039 -1.167 3.890 427 HG22 VAL 55 1HG2 VAL 55 -4.516 -2.862 3.794 428 HG23 VAL 55 2HG2 VAL 55 -4.248 -2.110 5.366 429 H LEU 56 H LEU 56 -4.252 1.142 5.245 430 HA LEU 56 HA LEU 56 -5.508 3.085 3.417 431 HG LEU 56 HG LEU 56 -6.330 4.698 5.320 432 HB2 LEU 56 2HB LEU 56 -4.309 3.486 6.010 433 HB3 LEU 56 1HB LEU 56 -3.371 4.340 4.807 434 HD11 LEU 56 1HD1 LEU 56 -5.800 6.716 6.412 435 HD12 LEU 56 2HD1 LEU 56 -4.114 6.641 5.904 436 HD13 LEU 56 3HD1 LEU 56 -4.726 5.497 7.100 437 HD21 LEU 56 3HD2 LEU 56 -5.722 6.856 3.944 438 HD22 LEU 56 1HD2 LEU 56 -6.159 5.358 3.125 439 HD23 LEU 56 2HD2 LEU 56 -4.463 5.818 3.282 440 H MET 57 H MET 57 -4.221 3.920 1.767 441 HA MET 57 HA MET 57 -1.593 2.650 1.434 442 HB2 MET 57 2HB MET 57 -3.415 3.154 -0.894 443 HB3 MET 57 1HB MET 57 -2.033 2.071 -0.792 444 HG2 MET 57 2HG MET 57 -3.269 0.585 0.686 445 HG3 MET 57 1HG MET 57 -4.646 1.690 0.651 446 HE1 MET 57 3HE MET 57 -6.730 -0.160 -1.595 447 HE2 MET 57 1HE MET 57 -6.535 1.592 -1.625 448 HE3 MET 57 2HE MET 57 -6.431 0.719 -0.096 449 H ILE 58 H ILE 58 -0.072 4.219 1.454 450 HA ILE 58 HA ILE 58 -0.696 6.745 0.079 451 HB ILE 58 HB ILE 58 1.121 6.402 2.472 452 HG12 ILE 58 2HG1 ILE 58 -1.744 6.719 2.329 453 HG13 ILE 58 1HG1 ILE 58 -0.729 6.498 3.741 454 HG21 ILE 58 1HG2 ILE 58 0.175 8.888 1.059 455 HG22 ILE 58 2HG2 ILE 58 1.790 8.182 0.943 456 HG23 ILE 58 3HG2 ILE 58 1.220 8.832 2.480 457 HD11 ILE 58 3HD1 ILE 58 -2.211 8.588 3.592 458 HD12 ILE 58 1HD1 ILE 58 -0.994 9.193 2.466 459 HD13 ILE 58 2HD1 ILE 58 -0.539 8.776 4.118 460 H LEU 59 H LEU 59 0.815 7.510 -1.347 461 HA LEU 59 HA LEU 59 3.300 5.953 -1.591 462 HG LEU 59 HG LEU 59 1.468 7.013 -5.298 463 HB2 LEU 59 2HB LEU 59 3.161 5.905 -3.914 464 HB3 LEU 59 1HB LEU 59 1.529 5.563 -3.386 465 HD11 LEU 59 1HD1 LEU 59 -0.229 7.313 -3.580 466 HD12 LEU 59 2HD1 LEU 59 0.133 8.824 -4.415 467 HD13 LEU 59 3HD1 LEU 59 0.781 8.531 -2.803 468 HD21 LEU 59 3HD2 LEU 59 3.789 8.108 -4.426 469 HD22 LEU 59 1HD2 LEU 59 2.632 9.366 -4.004 470 HD23 LEU 59 2HD2 LEU 59 2.753 8.809 -5.665 471 H ASN 60 H ASN 60 5.172 7.017 -2.130 472 HA ASN 60 HA ASN 60 5.014 9.963 -2.193 473 HB2 ASN 60 2HB ASN 60 6.218 8.504 -0.172 474 HB3 ASN 60 1HB ASN 60 7.567 8.857 -1.248 475 HD21 ASN 60 1HD2 ASN 60 6.590 11.350 -2.200 476 HD22 ASN 60 2HD2 ASN 60 6.710 12.482 -0.902 477 H SER 61 H SER 61 5.264 10.359 -4.318 478 HA SER 61 HA SER 61 7.742 9.336 -5.557 479 HG SER 61 HG SER 61 5.848 7.093 -5.626 480 HB2 SER 61 2HB SER 61 5.355 9.299 -7.305 481 HB3 SER 61 1HB SER 61 6.741 8.217 -7.275 482 HA PRO 62 HA PRO 62 8.083 13.507 -7.057 483 HB2 PRO 62 2HB PRO 62 10.066 13.087 -8.824 484 HB3 PRO 62 1HB PRO 62 10.309 13.087 -7.076 485 HG2 PRO 62 2HG PRO 62 9.937 10.740 -8.908 486 HG3 PRO 62 1HG PRO 62 11.174 10.991 -7.659 487 HD2 PRO 62 2HD PRO 62 8.999 9.515 -7.191 488 HD3 PRO 62 1HD PRO 62 9.692 10.555 -5.934 489 H ASP 63 H ASP 63 6.908 10.885 -8.906 490 HA ASP 63 HA ASP 63 5.978 12.796 -10.912 491 HB2 ASP 63 2HB ASP 63 6.513 11.217 -12.754 492 HB3 ASP 63 1HB ASP 63 7.951 11.825 -11.938 493 H GLU 64 H GLU 64 3.952 12.226 -11.869 494 HA GLU 64 HA GLU 64 2.267 10.639 -10.223 495 HB2 GLU 64 2HB GLU 64 1.877 11.911 -12.904 496 HB3 GLU 64 1HB GLU 64 0.784 10.620 -12.439 497 HG2 GLU 64 2HG GLU 64 -0.349 12.395 -11.603 498 HG3 GLU 64 1HG GLU 64 0.632 11.970 -10.195 499 H ASP 65 H ASP 65 3.911 9.776 -13.299 500 HA ASP 65 HA ASP 65 2.812 7.294 -13.762 501 HB2 ASP 65 2HB ASP 65 4.629 8.438 -15.100 502 HB3 ASP 65 1HB ASP 65 5.773 7.880 -13.880 503 H SER 66 H SER 66 5.609 8.053 -11.718 504 HA SER 66 HA SER 66 5.891 5.506 -10.535 505 HG SER 66 HG SER 66 6.655 6.243 -7.978 506 HB2 SER 66 2HB SER 66 7.628 7.289 -10.422 507 HB3 SER 66 1HB SER 66 6.577 8.202 -9.337 508 H LEU 67 H LEU 67 4.473 8.470 -9.330 509 HA LEU 67 HA LEU 67 3.350 7.835 -6.972 510 HG LEU 67 HG LEU 67 1.172 9.616 -6.502 511 HB2 LEU 67 2HB LEU 67 3.214 10.037 -7.805 512 HB3 LEU 67 1HB LEU 67 2.380 9.532 -9.245 513 HD11 LEU 67 1HD1 LEU 67 1.569 11.634 -8.519 514 HD12 LEU 67 2HD1 LEU 67 1.056 11.792 -6.840 515 HD13 LEU 67 3HD1 LEU 67 -0.129 11.428 -8.093 516 HD21 LEU 67 3HD2 LEU 67 0.118 8.789 -9.160 517 HD22 LEU 67 1HD2 LEU 67 -0.957 9.558 -7.994 518 HD23 LEU 67 2HD2 LEU 67 -0.141 8.054 -7.576 519 H ALA 68 H ALA 68 1.521 7.481 -10.031 520 HA ALA 68 HA ALA 68 -0.585 6.048 -8.786 521 HB1 ALA 68 3HB ALA 68 -1.216 7.058 -10.778 522 HB2 ALA 68 1HB ALA 68 -1.050 5.369 -11.257 523 HB3 ALA 68 2HB ALA 68 0.231 6.521 -11.633 524 H HIS 69 H HIS 69 2.379 5.074 -10.426 525 HA HIS 69 HA HIS 69 1.903 2.357 -10.741 526 HD1 HIS 69 1HD HIS 69 3.019 0.446 -10.183 527 HD2 HIS 69 2HD HIS 69 6.517 2.072 -11.726 528 HE1 HIS 69 1HE HIS 69 4.476 -1.521 -10.759 529 HE2 HIS 69 2HE HIS 69 6.553 -0.514 -11.771 530 HB2 HIS 69 2HB HIS 69 3.914 3.597 -11.575 531 HB3 HIS 69 1HB HIS 69 4.537 3.601 -9.929 532 H MET 70 H MET 70 2.903 4.191 -7.922 533 HA MET 70 HA MET 70 3.277 1.861 -6.268 534 HB2 MET 70 2HB MET 70 3.047 4.758 -5.448 535 HB3 MET 70 1HB MET 70 3.713 3.455 -4.477 536 HG2 MET 70 2HG MET 70 4.854 4.605 -6.997 537 HG3 MET 70 1HG MET 70 5.499 4.738 -5.365 538 HE1 MET 70 3HE MET 70 6.306 3.883 -8.276 539 HE2 MET 70 1HE MET 70 6.458 2.154 -8.587 540 HE3 MET 70 2HE MET 70 7.758 3.021 -7.769 541 H GLN 71 H GLN 71 0.894 4.568 -6.131 542 HA GLN 71 HA GLN 71 -0.698 3.475 -4.161 543 HB2 GLN 71 2HB GLN 71 -2.622 4.760 -5.410 544 HB3 GLN 71 1HB GLN 71 -1.369 5.624 -4.543 545 HG2 GLN 71 2HG GLN 71 -0.724 6.659 -6.390 546 HG3 GLN 71 1HG GLN 71 -0.656 5.153 -7.304 547 HE21 GLN 71 1HE2 GLN 71 -2.243 4.691 -8.711 548 HE22 GLN 71 2HE2 GLN 71 -3.640 5.674 -8.973 549 H ASN 72 H ASN 72 -0.525 2.601 -7.520 550 HA ASN 72 HA ASN 72 -2.987 1.093 -7.454 551 HB2 ASN 72 2HB ASN 72 -1.711 2.232 -9.498 552 HB3 ASN 72 1HB ASN 72 -0.975 0.635 -9.598 553 HD21 ASN 72 1HD2 ASN 72 -4.089 2.286 -9.438 554 HD22 ASN 72 2HD2 ASN 72 -4.952 1.127 -10.385 555 H VAL 73 H VAL 73 0.490 0.358 -7.428 556 HA VAL 73 HA VAL 73 0.528 -2.353 -7.636 557 HB VAL 73 HB VAL 73 2.169 -0.486 -5.955 558 HG11 VAL 73 1HG1 VAL 73 2.167 -2.481 -4.623 559 HG12 VAL 73 2HG1 VAL 73 3.709 -2.380 -5.472 560 HG13 VAL 73 3HG1 VAL 73 2.459 -3.486 -6.043 561 HG21 VAL 73 3HG2 VAL 73 2.238 -1.052 -8.583 562 HG22 VAL 73 1HG2 VAL 73 3.361 -2.268 -7.975 563 HG23 VAL 73 2HG2 VAL 73 3.652 -0.560 -7.651 564 H VAL 74 H VAL 74 -0.153 -0.508 -4.677 565 HA VAL 74 HA VAL 74 -0.545 -2.795 -3.035 566 HB VAL 74 HB VAL 74 -1.548 0.029 -2.675 567 HG11 VAL 74 1HG1 VAL 74 -1.379 -2.137 -0.585 568 HG12 VAL 74 2HG1 VAL 74 -2.866 -1.659 -1.401 569 HG13 VAL 74 3HG1 VAL 74 -2.009 -0.504 -0.382 570 HG21 VAL 74 3HG2 VAL 74 0.557 0.513 -2.144 571 HG22 VAL 74 1HG2 VAL 74 1.040 -1.172 -2.339 572 HG23 VAL 74 2HG2 VAL 74 0.432 -0.602 -0.786 573 H ALA 75 H ALA 75 -2.799 -0.659 -4.795 574 HA ALA 75 HA ALA 75 -5.217 -1.691 -3.969 575 HB1 ALA 75 3HB ALA 75 -4.451 -0.746 -6.732 576 HB2 ALA 75 1HB ALA 75 -5.114 0.235 -5.424 577 HB3 ALA 75 2HB ALA 75 -6.103 -1.013 -6.179 578 H ASP 76 H ASP 76 -2.788 -3.117 -5.950 579 HA ASP 76 HA ASP 76 -4.464 -5.164 -7.078 580 HB2 ASP 76 2HB ASP 76 -2.072 -4.149 -7.811 581 HB3 ASP 76 1HB ASP 76 -1.536 -5.590 -6.952 582 H HIS 77 H HIS 77 -2.189 -4.919 -4.386 583 HA HIS 77 HA HIS 77 -2.171 -7.661 -3.711 584 HD1 HIS 77 1HD HIS 77 0.979 -4.856 -1.682 585 HD2 HIS 77 2HD HIS 77 -0.037 -7.627 -4.610 586 HE1 HIS 77 1HE HIS 77 3.066 -5.195 -3.040 587 HE2 HIS 77 2HE HIS 77 2.404 -6.809 -4.857 588 HB2 HIS 77 2HB HIS 77 -1.615 -5.235 -2.004 589 HB3 HIS 77 1HB HIS 77 -1.359 -6.871 -1.472 590 H LEU 78 H LEU 78 -4.218 -4.986 -2.527 591 HA LEU 78 HA LEU 78 -5.575 -6.426 -0.558 592 HG LEU 78 HG LEU 78 -4.821 -3.238 -0.773 593 HB2 LEU 78 2HB LEU 78 -6.430 -4.092 -2.266 594 HB3 LEU 78 1HB LEU 78 -7.423 -4.735 -0.975 595 HD11 LEU 78 1HD1 LEU 78 -7.013 -2.056 -0.783 596 HD12 LEU 78 2HD1 LEU 78 -6.054 -1.806 0.675 597 HD13 LEU 78 3HD1 LEU 78 -7.425 -2.916 0.701 598 HD21 LEU 78 3HD2 LEU 78 -5.131 -3.767 1.756 599 HD22 LEU 78 1HD2 LEU 78 -4.297 -4.928 0.722 600 HD23 LEU 78 2HD2 LEU 78 -5.981 -5.195 1.170 601 H GLN 79 H GLN 79 -5.838 -6.466 -4.009 602 HA GLN 79 HA GLN 79 -8.445 -7.604 -4.163 603 HB2 GLN 79 2HB GLN 79 -6.277 -7.881 -6.237 604 HB3 GLN 79 1HB GLN 79 -8.016 -7.922 -6.484 605 HG2 GLN 79 2HG GLN 79 -7.425 -5.445 -5.287 606 HG3 GLN 79 1HG GLN 79 -6.233 -5.699 -6.559 607 HE21 GLN 79 1HE2 GLN 79 -7.799 -3.656 -6.976 608 HE22 GLN 79 2HE2 GLN 79 -9.023 -3.988 -8.150 609 H ARG 80 H ARG 80 -5.182 -9.010 -4.391 610 HA ARG 80 HA ARG 80 -5.932 -11.657 -4.842 611 HE ARG 80 HE ARG 80 -4.010 -13.258 -6.956 612 HB2 ARG 80 2HB ARG 80 -3.542 -10.584 -3.331 613 HB3 ARG 80 1HB ARG 80 -3.721 -12.251 -3.862 614 HG2 ARG 80 2HG ARG 80 -4.172 -10.593 -6.096 615 HG3 ARG 80 1HG ARG 80 -2.710 -10.017 -5.295 616 HD2 ARG 80 2HD ARG 80 -2.227 -11.719 -7.001 617 HD3 ARG 80 1HD ARG 80 -1.752 -12.242 -5.388 618 HH11 ARG 80 1HH1 ARG 80 -2.018 -13.452 -4.087 619 HH12 ARG 80 2HH1 ARG 80 -2.600 -15.021 -3.645 620 HH21 ARG 80 1HH2 ARG 80 -4.769 -15.316 -6.366 621 HH22 ARG 80 2HH2 ARG 80 -4.159 -16.077 -4.935 622 H MET 81 H MET 81 -5.634 -9.822 -1.892 623 HA MET 81 HA MET 81 -6.179 -12.106 -0.206 624 HB2 MET 81 2HB MET 81 -6.110 -10.513 1.648 625 HB3 MET 81 1HB MET 81 -4.711 -10.366 0.602 626 HG2 MET 81 2HG MET 81 -5.287 -8.178 1.119 627 HG3 MET 81 1HG MET 81 -5.927 -8.426 -0.501 628 HE1 MET 81 3HE MET 81 -7.675 -7.239 3.291 629 HE2 MET 81 1HE MET 81 -7.580 -6.013 2.026 630 HE3 MET 81 2HE MET 81 -6.148 -6.951 2.455 631 H ALA 82 H ALA 82 -8.087 -10.017 -2.029 632 HA ALA 82 HA ALA 82 -10.463 -10.747 -0.433 633 HB1 ALA 82 3HB ALA 82 -10.151 -8.413 -0.081 634 HB2 ALA 82 1HB ALA 82 -11.483 -8.593 -1.224 635 HB3 ALA 82 2HB ALA 82 -9.882 -8.124 -1.799 636 H ASN 83 H ASN 83 -11.407 -12.311 -1.591 637 HA ASN 83 HA ASN 83 -11.538 -12.044 -4.510 638 HB2 ASN 83 2HB ASN 83 -10.803 -14.195 -3.062 639 HB3 ASN 83 1HB ASN 83 -12.530 -14.509 -3.197 640 HD21 ASN 83 1HD2 ASN 83 -11.129 -16.348 -4.321 641 HD22 ASN 83 2HD2 ASN 83 -11.053 -16.194 -6.040 642 H SER 84 H SER 84 -13.261 -10.823 -5.032 643 HA SER 84 HA SER 84 -15.847 -11.832 -4.934 644 HG SER 84 HG SER 84 -14.569 -9.171 -2.838 645 HB2 SER 84 2HB SER 84 -16.704 -9.886 -3.329 646 HB3 SER 84 1HB SER 84 -16.237 -11.465 -2.698 647 H GLU 85 H GLU 85 -13.860 -8.927 -4.934 648 HA GLU 85 HA GLU 85 -15.100 -8.041 -7.388 649 HB2 GLU 85 2HB GLU 85 -15.825 -5.892 -6.597 650 HB3 GLU 85 1HB GLU 85 -16.574 -7.121 -5.588 651 HG2 GLU 85 2HG GLU 85 -14.078 -6.325 -4.432 652 HG3 GLU 85 1HG GLU 85 -15.058 -4.900 -4.779 653 H SER 86 H SER 86 -13.976 -6.106 -8.286 654 HA SER 86 HA SER 86 -11.150 -6.387 -7.947 655 HG SER 86 HG SER 86 -13.847 -4.690 -9.704 656 HB2 SER 86 2HB SER 86 -11.027 -4.516 -9.606 657 HB3 SER 86 1HB SER 86 -12.023 -5.867 -10.148 658 H LEU 87 H LEU 87 -11.329 -5.929 -5.603 659 HA LEU 87 HA LEU 87 -11.474 -4.498 -3.765 660 HG LEU 87 HG LEU 87 -7.964 -4.642 -3.243 661 HB2 LEU 87 2HB LEU 87 -9.023 -4.398 -5.234 662 HB3 LEU 87 1HB LEU 87 -9.325 -2.820 -4.534 663 HD11 LEU 87 1HD1 LEU 87 -9.953 -2.658 -2.220 664 HD12 LEU 87 2HD1 LEU 87 -8.191 -2.563 -2.254 665 HD13 LEU 87 3HD1 LEU 87 -8.995 -3.619 -1.093 666 HD21 LEU 87 3HD2 LEU 87 -9.775 -6.339 -3.312 667 HD22 LEU 87 1HD2 LEU 87 -10.755 -5.277 -2.301 668 HD23 LEU 87 2HD2 LEU 87 -9.244 -5.935 -1.682 669 H GLU 88 H GLU 88 -13.062 -3.074 -3.441 670 HA GLU 88 HA GLU 88 -13.448 -0.798 -5.146 671 HB2 GLU 88 2HB GLU 88 -15.302 -1.858 -3.856 672 HB3 GLU 88 1HB GLU 88 -14.531 -1.329 -2.367 673 HG2 GLU 88 2HG GLU 88 -15.313 0.753 -2.558 674 HG3 GLU 88 1HG GLU 88 -14.986 0.822 -4.289 675 H ILE 89 H ILE 89 -11.635 0.489 -5.175 676 HA ILE 89 HA ILE 89 -10.857 1.633 -2.590 677 HB ILE 89 HB ILE 89 -8.546 1.571 -3.087 678 HG12 ILE 89 2HG1 ILE 89 -9.032 2.035 -5.655 679 HG13 ILE 89 1HG1 ILE 89 -7.538 1.282 -5.135 680 HG21 ILE 89 1HG2 ILE 89 -8.224 -0.905 -3.771 681 HG22 ILE 89 2HG2 ILE 89 -9.982 -0.967 -3.678 682 HG23 ILE 89 3HG2 ILE 89 -9.039 -0.506 -2.262 683 HD11 ILE 89 3HD1 ILE 89 -8.433 0.150 -7.065 684 HD12 ILE 89 1HD1 ILE 89 -9.954 -0.138 -6.221 685 HD13 ILE 89 2HD1 ILE 89 -8.472 -0.918 -5.661 686 H ALA 90 H ALA 90 -10.895 3.853 -2.517 687 HA ALA 90 HA ALA 90 -11.223 5.218 -5.096 688 HB1 ALA 90 3HB ALA 90 -12.881 5.582 -3.181 689 HB2 ALA 90 1HB ALA 90 -12.222 7.021 -3.959 690 HB3 ALA 90 2HB ALA 90 -11.592 6.501 -2.396 691 H TRP 91 H TRP 91 -9.386 5.849 -5.951 692 HA TRP 91 HA TRP 91 -7.145 6.591 -4.244 693 HD1 TRP 91 HD TRP 91 -8.799 4.613 -7.755 694 HE1 TRP 91 1HE TRP 91 -9.309 5.530 -10.104 695 HE3 TRP 91 3HE TRP 91 -5.585 8.590 -7.791 696 HZ2 TRP 91 2HZ TRP 91 -8.462 7.658 -11.755 697 HZ3 TRP 91 3HZ TRP 91 -5.497 10.016 -9.794 698 HH2 TRP 91 HH TRP 91 -6.906 9.558 -11.734 699 HB2 TRP 91 2HB TRP 91 -5.821 6.561 -6.312 700 HB3 TRP 91 1HB TRP 91 -6.705 5.054 -6.095 701 H GLN 92 H GLN 92 -6.421 8.599 -3.966 702 HA GLN 92 HA GLN 92 -7.959 10.775 -5.133 703 HB2 GLN 92 2HB GLN 92 -5.806 10.738 -3.011 704 HB3 GLN 92 1HB GLN 92 -6.628 12.195 -3.557 705 HG2 GLN 92 2HG GLN 92 -8.747 11.331 -2.770 706 HG3 GLN 92 1HG GLN 92 -7.976 9.818 -2.294 707 HE21 GLN 92 1HE2 GLN 92 -9.460 11.652 -0.643 708 HE22 GLN 92 2HE2 GLN 92 -8.386 12.188 0.599 709 HA PRO 93 HA PRO 93 -5.286 12.104 -8.356 710 HB2 PRO 93 2HB PRO 93 -5.108 14.692 -6.895 711 HB3 PRO 93 1HB PRO 93 -5.483 14.388 -8.595 712 HG2 PRO 93 2HG PRO 93 -7.416 15.002 -6.862 713 HG3 PRO 93 1HG PRO 93 -7.681 13.811 -8.148 714 HD2 PRO 93 2HD PRO 93 -7.300 13.396 -5.231 715 HD3 PRO 93 1HD PRO 93 -8.223 12.432 -6.401 716 H ALA 94 H ALA 94 -4.320 13.097 -5.089 717 HA ALA 94 HA ALA 94 -2.298 12.536 -4.047 718 HB1 ALA 94 3HB ALA 94 -0.482 11.628 -5.119 719 HB2 ALA 94 1HB ALA 94 -0.762 12.551 -6.594 720 HB3 ALA 94 2HB ALA 94 -1.770 11.153 -6.229 721 H GLU 95 H GLU 95 -3.487 15.053 -4.667 722 HA GLU 95 HA GLU 95 -1.073 16.725 -4.612 723 HB2 GLU 95 2HB GLU 95 -3.565 17.178 -6.247 724 HB3 GLU 95 1HB GLU 95 -2.450 18.480 -5.853 725 HG2 GLU 95 2HG GLU 95 -0.757 16.601 -6.847 726 HG3 GLU 95 1HG GLU 95 -2.209 16.316 -7.804 727 H SER 96 H SER 96 -1.181 18.554 -3.305 728 HA SER 96 HA SER 96 -3.626 18.900 -1.716 729 HG SER 96 HG SER 96 -2.861 17.215 0.498 730 HB2 SER 96 2HB SER 96 -0.814 18.639 -0.628 731 HB3 SER 96 1HB SER 96 -2.192 19.200 0.319
Contact the webmaster for help, if required. Tuesday, May 21, 2024 2:02:57 PM GMT (wattos1)