NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22619 | 2jpo | 15256 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 1 HA SER 1 24.512 -11.933 -8.356 2 HG SER 1 HG SER 1 21.352 -12.610 -10.682 3 H1 SER 1 H SER 1 21.726 -12.303 -7.463 4 HB2 SER 1 1HB SER 1 23.447 -11.217 -10.554 5 HB3 SER 1 2HB SER 1 23.379 -12.929 -10.138 6 HA PRO 2 HA PRO 2 23.897 -7.697 -7.146 7 HB2 PRO 2 1HB PRO 2 25.788 -6.385 -8.609 8 HB3 PRO 2 2HB PRO 2 26.192 -7.509 -7.291 9 HG2 PRO 2 1HG PRO 2 26.327 -7.994 -10.245 10 HG3 PRO 2 2HG PRO 2 27.392 -8.611 -8.949 11 HD2 PRO 2 1HD PRO 2 25.247 -9.983 -10.171 12 HD3 PRO 2 2HD PRO 2 26.063 -10.465 -8.660 13 H GLU 3 H GLU 3 21.758 -7.911 -8.085 14 HA GLU 3 HA GLU 3 21.343 -6.225 -10.488 15 HB2 GLU 3 1HB GLU 3 21.667 -8.757 -11.027 16 HB3 GLU 3 2HB GLU 3 20.069 -8.972 -10.310 17 HG2 GLU 3 1HG GLU 3 19.184 -7.254 -11.924 18 HG3 GLU 3 2HG GLU 3 20.818 -7.094 -12.598 19 H ILE 4 H ILE 4 19.304 -8.451 -8.476 20 HA ILE 4 HA ILE 4 17.626 -6.095 -7.783 21 HB ILE 4 HB ILE 4 15.709 -7.584 -8.007 22 HG12 ILE 4 1HG1 ILE 4 17.702 -9.584 -9.176 23 HG13 ILE 4 2HG1 ILE 4 16.869 -9.748 -7.626 24 HG21 ILE 4 1HG2 ILE 4 17.322 -7.489 -10.584 25 HG22 ILE 4 2HG2 ILE 4 15.571 -7.387 -10.384 26 HG23 ILE 4 3HG2 ILE 4 16.584 -6.054 -9.838 27 HD11 ILE 4 3HD1 ILE 4 15.594 -9.675 -10.378 28 HD12 ILE 4 1HD1 ILE 4 15.690 -11.052 -9.275 29 HD13 ILE 4 2HD1 ILE 4 14.701 -9.631 -8.839 30 H MET 5 H MET 5 19.663 -6.913 -6.117 31 HA MET 5 HA MET 5 18.438 -8.554 -3.980 32 HB2 MET 5 1HB MET 5 21.087 -8.188 -5.243 33 HB3 MET 5 2HB MET 5 21.170 -8.479 -3.505 34 HG2 MET 5 1HG MET 5 19.692 -10.503 -3.848 35 HG3 MET 5 2HG MET 5 19.868 -10.260 -5.588 36 HE1 MET 5 3HE MET 5 23.280 -11.553 -2.701 37 HE2 MET 5 1HE MET 5 22.588 -9.928 -2.619 38 HE3 MET 5 2HE MET 5 21.591 -11.343 -2.216 39 H LYS 6 H LYS 6 18.019 -5.770 -4.346 40 HA LYS 6 HA LYS 6 18.636 -4.762 -1.605 41 HB2 LYS 6 1HB LYS 6 19.386 -3.242 -4.149 42 HB3 LYS 6 2HB LYS 6 19.513 -2.641 -2.492 43 HG2 LYS 6 1HG LYS 6 21.166 -4.447 -1.975 44 HG3 LYS 6 2HG LYS 6 21.065 -4.995 -3.659 45 HD2 LYS 6 1HD LYS 6 21.886 -2.811 -4.442 46 HD3 LYS 6 2HD LYS 6 22.097 -2.297 -2.751 47 HE2 LYS 6 1HE LYS 6 23.578 -4.270 -2.354 48 HE3 LYS 6 2HE LYS 6 23.348 -4.770 -4.034 49 HZ1 LYS 6 3HZ LYS 6 24.616 -2.239 -3.176 50 HZ2 LYS 6 1HZ LYS 6 25.416 -3.525 -3.815 51 HZ3 LYS 6 2HZ LYS 6 24.355 -2.699 -4.737 52 H ASN 7 H ASN 7 16.162 -5.564 -2.052 53 HA ASN 7 HA ASN 7 14.548 -3.310 -2.916 54 HB2 ASN 7 1HB ASN 7 14.288 -5.896 -4.457 55 HB3 ASN 7 2HB ASN 7 13.285 -4.451 -4.586 56 HD21 ASN 7 2HD2 ASN 7 15.958 -6.020 -5.778 57 HD22 ASN 7 1HD2 ASN 7 16.392 -4.702 -6.885 58 H LEU 8 H LEU 8 12.732 -3.378 -1.687 59 HA LEU 8 HA LEU 8 12.304 -5.598 0.061 60 HG LEU 8 HG LEU 8 10.068 -2.120 0.305 61 HB2 LEU 8 1HB LEU 8 10.898 -4.353 1.229 62 HB3 LEU 8 2HB LEU 8 11.956 -3.169 0.496 63 HD11 LEU 8 1HD1 LEU 8 10.675 -2.679 -2.132 64 HD12 LEU 8 2HD1 LEU 8 9.229 -3.692 -2.114 65 HD13 LEU 8 3HD1 LEU 8 9.113 -1.952 -1.755 66 HD21 LEU 8 3HD2 LEU 8 8.787 -3.648 1.602 67 HD22 LEU 8 1HD2 LEU 8 7.781 -3.021 0.300 68 HD23 LEU 8 2HD2 LEU 8 8.468 -4.671 0.207 69 H SER 9 H SER 9 11.465 -5.407 -3.074 70 HA SER 9 HA SER 9 9.143 -6.310 -3.815 71 HG SER 9 HG SER 9 10.900 -5.619 -6.259 72 HB2 SER 9 1HB SER 9 11.918 -7.185 -4.452 73 HB3 SER 9 2HB SER 9 10.584 -7.525 -5.522 74 H ASN 10 H ASN 10 11.616 -8.556 -2.557 75 HA ASN 10 HA ASN 10 9.971 -10.889 -2.783 76 HB2 ASN 10 1HB ASN 10 12.069 -11.265 -0.791 77 HB3 ASN 10 2HB ASN 10 11.835 -12.018 -2.344 78 HD21 ASN 10 2HD2 ASN 10 13.502 -9.356 -0.600 79 HD22 ASN 10 1HD2 ASN 10 14.463 -8.909 -1.987 80 H ASN 11 H ASN 11 10.779 -8.708 -0.118 81 HA ASN 11 HA ASN 11 9.688 -10.391 1.973 82 HB2 ASN 11 1HB ASN 11 10.506 -7.463 1.966 83 HB3 ASN 11 2HB ASN 11 10.124 -8.417 3.384 84 HD21 ASN 11 2HD2 ASN 11 12.782 -7.152 2.084 85 HD22 ASN 11 1HD2 ASN 11 13.899 -8.457 2.302 86 H PHE 12 H PHE 12 8.625 -7.530 0.149 87 HA PHE 12 HA PHE 12 6.047 -7.182 1.122 88 HD1 PHE 12 HD2 PHE 12 4.040 -6.476 0.301 89 HD2 PHE 12 HD1 PHE 12 7.031 -4.084 -1.692 90 HE1 PHE 12 HE2 PHE 12 2.780 -4.429 0.853 91 HE2 PHE 12 HE1 PHE 12 5.720 -2.028 -1.181 92 HZ PHE 12 HZ PHE 12 3.698 -2.188 0.212 93 HB2 PHE 12 1HB PHE 12 7.540 -6.252 -1.066 94 HB3 PHE 12 2HB PHE 12 6.242 -7.090 -1.859 95 H GLY 13 H GLY 13 7.117 -9.333 -1.532 96 HA2 GLY 13 1HA GLY 13 4.607 -10.522 -2.072 97 HA3 GLY 13 2HA GLY 13 6.183 -11.224 -2.451 98 H LYS 14 H LYS 14 7.077 -11.342 0.436 99 HA LYS 14 HA LYS 14 5.891 -13.864 1.187 100 HB2 LYS 14 1HB LYS 14 8.121 -13.743 1.768 101 HB3 LYS 14 2HB LYS 14 8.088 -12.005 2.080 102 HG2 LYS 14 1HG LYS 14 6.966 -12.383 4.130 103 HG3 LYS 14 2HG LYS 14 6.920 -14.144 3.879 104 HD2 LYS 14 1HD LYS 14 9.474 -14.050 3.742 105 HD3 LYS 14 2HD LYS 14 9.360 -12.340 4.205 106 HE2 LYS 14 1HE LYS 14 9.893 -13.562 6.180 107 HE3 LYS 14 2HE LYS 14 8.219 -13.034 6.328 108 HZ1 LYS 14 3HZ LYS 14 9.077 -15.761 5.514 109 HZ2 LYS 14 1HZ LYS 14 8.561 -15.332 6.996 110 HZ3 LYS 14 2HZ LYS 14 7.534 -15.289 5.692 111 H ALA 15 H ALA 15 5.713 -10.479 2.540 112 HA ALA 15 HA ALA 15 3.763 -11.165 4.502 113 HB1 ALA 15 1HB ALA 15 5.000 -8.950 4.339 114 HB2 ALA 15 2HB ALA 15 3.998 -8.530 2.957 115 HB3 ALA 15 3HB ALA 15 3.251 -8.765 4.557 116 H MET 16 H MET 16 3.280 -10.282 1.047 117 HA MET 16 HA MET 16 0.456 -10.347 1.111 118 HB2 MET 16 1HB MET 16 2.123 -9.616 -0.802 119 HB3 MET 16 2HB MET 16 2.023 -11.289 -1.313 120 HG2 MET 16 1HG MET 16 -0.343 -9.445 -0.875 121 HG3 MET 16 2HG MET 16 0.367 -9.782 -2.449 122 HE1 MET 16 3HE MET 16 -2.670 -10.108 -0.958 123 HE2 MET 16 1HE MET 16 -2.759 -10.422 -2.710 124 HE3 MET 16 2HE MET 16 -3.357 -11.646 -1.516 125 H ASP 17 H ASP 17 2.874 -12.931 0.569 126 HA ASP 17 HA ASP 17 1.058 -15.070 -0.011 127 HB2 ASP 17 1HB ASP 17 3.523 -15.012 -0.497 128 HB3 ASP 17 2HB ASP 17 3.845 -15.116 1.250 129 H GLN 18 H GLN 18 2.436 -13.839 3.027 130 HA GLN 18 HA GLN 18 1.278 -15.738 4.784 131 HB2 GLN 18 1HB GLN 18 2.014 -12.840 5.327 132 HB3 GLN 18 2HB GLN 18 1.498 -14.021 6.509 133 HG2 GLN 18 1HG GLN 18 3.256 -15.620 5.762 134 HG3 GLN 18 2HG GLN 18 3.901 -14.392 4.678 135 HE21 GLN 18 2HE2 GLN 18 5.632 -15.334 6.160 136 HE22 GLN 18 1HE2 GLN 18 5.870 -14.489 7.715 137 H CYS 19 H CYS 19 -0.085 -12.675 3.399 138 HA CYS 19 HA CYS 19 -2.616 -12.966 4.764 139 HB2 CYS 19 1HB CYS 19 -1.862 -11.376 2.282 140 HB3 CYS 19 2HB CYS 19 -3.346 -11.193 3.228 141 H LYS 20 H LYS 20 -1.451 -13.869 1.504 142 HA LYS 20 HA LYS 20 -3.847 -15.009 0.546 143 HB2 LYS 20 1HB LYS 20 -1.714 -14.470 -0.775 144 HB3 LYS 20 2HB LYS 20 -1.032 -15.956 -0.121 145 HG2 LYS 20 1HG LYS 20 -3.051 -17.175 -1.171 146 HG3 LYS 20 2HG LYS 20 -3.480 -15.610 -1.848 147 HD2 LYS 20 1HD LYS 20 -2.438 -16.646 -3.585 148 HD3 LYS 20 2HD LYS 20 -1.114 -15.666 -2.918 149 HE2 LYS 20 1HE LYS 20 0.024 -17.550 -2.121 150 HE3 LYS 20 2HE LYS 20 -1.452 -18.452 -1.825 151 HZ1 LYS 20 3HZ LYS 20 -0.537 -17.884 -4.581 152 HZ2 LYS 20 1HZ LYS 20 -0.073 -19.256 -3.778 153 HZ3 LYS 20 2HZ LYS 20 -1.647 -18.978 -4.114 154 H ASP 21 H ASP 21 -1.866 -16.128 3.124 155 HA ASP 21 HA ASP 21 -2.938 -18.874 2.879 156 HB2 ASP 21 1HB ASP 21 -0.434 -18.459 2.961 157 HB3 ASP 21 2HB ASP 21 -0.628 -17.821 4.574 158 H GLU 22 H GLU 22 -2.135 -16.513 5.397 159 HA GLU 22 HA GLU 22 -3.703 -17.700 7.442 160 HB2 GLU 22 1HB GLU 22 -2.725 -14.822 7.112 161 HB3 GLU 22 2HB GLU 22 -3.373 -15.521 8.605 162 HG2 GLU 22 1HG GLU 22 -1.610 -17.284 8.445 163 HG3 GLU 22 2HG GLU 22 -0.819 -16.380 7.169 164 H LEU 23 H LEU 23 -4.496 -15.423 4.877 165 HA LEU 23 HA LEU 23 -7.323 -15.396 5.965 166 HG LEU 23 HG LEU 23 -5.272 -12.845 5.999 167 HB2 LEU 23 1HB LEU 23 -6.187 -13.640 3.796 168 HB3 LEU 23 2HB LEU 23 -7.779 -13.615 4.481 169 HD11 LEU 23 1HD1 LEU 23 -5.839 -11.250 4.246 170 HD12 LEU 23 2HD1 LEU 23 -7.545 -11.227 4.769 171 HD13 LEU 23 3HD1 LEU 23 -6.290 -10.575 5.826 172 HD21 LEU 23 3HD2 LEU 23 -6.953 -11.959 7.681 173 HD22 LEU 23 1HD2 LEU 23 -8.226 -12.806 6.779 174 HD23 LEU 23 2HD2 LEU 23 -6.935 -13.729 7.562 175 H SER 24 H SER 24 -5.298 -17.004 3.768 176 HA SER 24 HA SER 24 -5.678 -18.303 2.011 177 HG SER 24 HG SER 24 -8.328 -20.573 2.285 178 HB2 SER 24 1HB SER 24 -7.188 -19.197 3.864 179 HB3 SER 24 2HB SER 24 -8.532 -18.545 2.924 180 H LEU 25 H LEU 25 -5.676 -15.548 1.266 181 HA LEU 25 HA LEU 25 -8.107 -14.854 -0.116 182 HG LEU 25 HG LEU 25 -5.706 -12.760 1.530 183 HB2 LEU 25 1HB LEU 25 -5.299 -13.681 -0.551 184 HB3 LEU 25 2HB LEU 25 -6.791 -13.055 -1.200 185 HD11 LEU 25 1HD1 LEU 25 -5.861 -11.067 -0.275 186 HD12 LEU 25 2HD1 LEU 25 -7.623 -11.127 -0.154 187 HD13 LEU 25 3HD1 LEU 25 -6.690 -10.617 1.256 188 HD21 LEU 25 3HD2 LEU 25 -7.991 -12.215 2.467 189 HD22 LEU 25 1HD2 LEU 25 -8.749 -12.870 1.005 190 HD23 LEU 25 2HD2 LEU 25 -7.887 -13.937 2.108 191 HA PRO 26 HA PRO 26 -7.427 -17.534 -3.531 192 HB2 PRO 26 1HB PRO 26 -9.082 -16.431 -5.443 193 HB3 PRO 26 2HB PRO 26 -9.652 -17.366 -4.032 194 HG2 PRO 26 1HG PRO 26 -9.437 -14.387 -4.404 195 HG3 PRO 26 2HG PRO 26 -10.821 -15.270 -3.704 196 HD2 PRO 26 1HD PRO 26 -8.972 -14.026 -2.150 197 HD3 PRO 26 2HD PRO 26 -9.720 -15.566 -1.662 198 H ASP 27 H ASP 27 -6.333 -17.644 -5.537 199 HA ASP 27 HA ASP 27 -4.199 -15.899 -6.012 200 HB2 ASP 27 1HB ASP 27 -4.527 -18.338 -6.694 201 HB3 ASP 27 2HB ASP 27 -5.480 -17.751 -8.057 202 H SER 28 H SER 28 -7.500 -15.787 -7.181 203 HA SER 28 HA SER 28 -7.176 -13.967 -9.344 204 HG SER 28 HG SER 28 -10.224 -13.070 -8.508 205 HB2 SER 28 1HB SER 28 -9.266 -14.618 -9.770 206 HB3 SER 28 2HB SER 28 -9.177 -15.699 -8.404 207 H VAL 29 H VAL 29 -7.843 -13.643 -5.826 208 HA VAL 29 HA VAL 29 -8.302 -10.758 -6.003 209 HB VAL 29 HB VAL 29 -8.001 -12.712 -3.708 210 HG11 VAL 29 1HG1 VAL 29 -8.165 -9.679 -3.536 211 HG12 VAL 29 2HG1 VAL 29 -8.507 -10.783 -2.194 212 HG13 VAL 29 3HG1 VAL 29 -6.883 -10.715 -2.878 213 HG21 VAL 29 3HG2 VAL 29 -10.209 -12.368 -5.042 214 HG22 VAL 29 1HG2 VAL 29 -10.279 -12.183 -3.289 215 HG23 VAL 29 2HG2 VAL 29 -10.251 -10.755 -4.333 216 H VAL 30 H VAL 30 -5.605 -13.019 -5.302 217 HA VAL 30 HA VAL 30 -3.742 -10.976 -4.624 218 HB VAL 30 HB VAL 30 -3.342 -13.763 -5.769 219 HG11 VAL 30 1HG1 VAL 30 -1.044 -13.589 -4.754 220 HG12 VAL 30 2HG1 VAL 30 -1.284 -12.432 -6.074 221 HG13 VAL 30 3HG1 VAL 30 -1.361 -11.870 -4.404 222 HG21 VAL 30 3HG2 VAL 30 -3.986 -14.519 -3.804 223 HG22 VAL 30 1HG2 VAL 30 -2.656 -13.665 -3.013 224 HG23 VAL 30 2HG2 VAL 30 -4.242 -12.898 -3.165 225 H ALA 31 H ALA 31 -4.462 -12.536 -7.798 226 HA ALA 31 HA ALA 31 -2.655 -10.949 -9.323 227 HB1 ALA 31 1HB ALA 31 -3.631 -13.048 -10.167 228 HB2 ALA 31 2HB ALA 31 -5.258 -12.338 -10.123 229 HB3 ALA 31 3HB ALA 31 -4.044 -11.704 -11.248 230 H ASP 32 H ASP 32 -6.121 -10.542 -8.474 231 HA ASP 32 HA ASP 32 -6.584 -8.093 -9.863 232 HB2 ASP 32 1HB ASP 32 -8.444 -9.220 -8.939 233 HB3 ASP 32 2HB ASP 32 -7.724 -9.264 -7.337 234 H LEU 33 H LEU 33 -5.278 -8.559 -6.549 235 HA LEU 33 HA LEU 33 -4.857 -5.856 -5.916 236 HG LEU 33 HG LEU 33 -4.792 -5.836 -3.822 237 HB2 LEU 33 1HB LEU 33 -3.917 -8.464 -4.894 238 HB3 LEU 33 2HB LEU 33 -2.620 -7.317 -4.877 239 HD11 LEU 33 1HD1 LEU 33 -6.014 -7.951 -3.606 240 HD12 LEU 33 2HD1 LEU 33 -4.692 -8.640 -2.642 241 HD13 LEU 33 3HD1 LEU 33 -5.598 -7.236 -2.024 242 HD21 LEU 33 3HD2 LEU 33 -3.539 -5.925 -1.744 243 HD22 LEU 33 1HD2 LEU 33 -2.572 -7.292 -2.360 244 HD23 LEU 33 2HD2 LEU 33 -2.464 -5.679 -3.135 245 H TYR 34 H TYR 34 -2.483 -8.167 -7.325 246 HA TYR 34 HA TYR 34 -0.530 -6.114 -7.706 247 HD1 TYR 34 HD1 TYR 34 2.068 -6.751 -8.017 248 HD2 TYR 34 HD2 TYR 34 -0.463 -9.981 -6.736 249 HE1 TYR 34 HE1 TYR 34 3.597 -7.182 -6.103 250 HE2 TYR 34 HE2 TYR 34 1.014 -10.402 -4.798 251 HH TYR 34 HH TYR 34 4.157 -8.802 -4.389 252 HB2 TYR 34 1HB TYR 34 -0.891 -8.862 -8.874 253 HB3 TYR 34 2HB TYR 34 0.340 -7.795 -9.534 254 H ASN 35 H ASN 35 -3.261 -6.956 -9.833 255 HA ASN 35 HA ASN 35 -2.398 -5.192 -11.989 256 HB2 ASN 35 1HB ASN 35 -5.076 -6.429 -11.276 257 HB3 ASN 35 2HB ASN 35 -4.875 -5.334 -12.641 258 HD21 ASN 35 2HD2 ASN 35 -5.555 -8.264 -12.569 259 HD22 ASN 35 1HD2 ASN 35 -4.377 -9.039 -13.620 260 H PHE 36 H PHE 36 -4.031 -4.632 -8.917 261 HA PHE 36 HA PHE 36 -5.634 -2.511 -9.491 262 HD1 PHE 36 HD1 PHE 36 -7.606 -2.350 -7.366 263 HD2 PHE 36 HD2 PHE 36 -3.811 -0.700 -6.227 264 HE1 PHE 36 HE1 PHE 36 -8.748 -0.504 -6.085 265 HE2 PHE 36 HE2 PHE 36 -4.923 1.094 -4.959 266 HZ PHE 36 HZ PHE 36 -7.387 1.197 -4.880 267 HB2 PHE 36 1HB PHE 36 -5.519 -3.728 -7.331 268 HB3 PHE 36 2HB PHE 36 -3.989 -2.940 -6.990 269 H TRP 37 H TRP 37 -2.283 -2.246 -8.364 270 HA TRP 37 HA TRP 37 -2.220 0.641 -8.727 271 HD1 TRP 37 HD1 TRP 37 -0.438 -3.276 -7.420 272 HE1 TRP 37 HE1 TRP 37 -1.079 -4.286 -5.223 273 HE3 TRP 37 HE3 TRP 37 -1.847 1.010 -4.986 274 HZ2 TRP 37 HZ2 TRP 37 -2.192 -3.365 -2.647 275 HZ3 TRP 37 HZ3 TRP 37 -2.663 0.907 -2.661 276 HH2 TRP 37 HH2 TRP 37 -2.829 -1.214 -1.468 277 HB2 TRP 37 1HB TRP 37 0.292 -0.686 -8.013 278 HB3 TRP 37 2HB TRP 37 -0.574 0.579 -7.193 279 H LYS 38 H LYS 38 -2.016 -1.641 -11.007 280 HA LYS 38 HA LYS 38 0.707 -1.384 -11.918 281 HB2 LYS 38 1HB LYS 38 -0.791 -3.427 -11.954 282 HB3 LYS 38 2HB LYS 38 -1.679 -2.699 -13.300 283 HG2 LYS 38 1HG LYS 38 0.298 -2.732 -14.707 284 HG3 LYS 38 2HG LYS 38 1.335 -3.231 -13.364 285 HD2 LYS 38 1HD LYS 38 -1.000 -4.899 -14.391 286 HD3 LYS 38 2HD LYS 38 0.659 -5.064 -14.996 287 HE2 LYS 38 1HE LYS 38 1.506 -5.697 -12.820 288 HE3 LYS 38 2HE LYS 38 -0.021 -5.321 -12.034 289 HZ1 LYS 38 3HZ LYS 38 0.250 -7.666 -12.368 290 HZ2 LYS 38 1HZ LYS 38 -1.048 -7.121 -13.236 291 HZ3 LYS 38 2HZ LYS 38 0.354 -7.502 -13.991 292 H ASP 39 H ASP 39 -2.350 0.044 -12.999 293 HA ASP 39 HA ASP 39 -0.835 1.977 -14.605 294 HB2 ASP 39 1HB ASP 39 -3.038 0.257 -15.827 295 HB3 ASP 39 2HB ASP 39 -2.600 1.837 -16.433 296 H ASP 40 H ASP 40 -4.218 0.861 -14.229 297 HA ASP 40 HA ASP 40 -4.922 2.568 -12.079 298 HB2 ASP 40 1HB ASP 40 -4.848 4.422 -13.678 299 HB3 ASP 40 2HB ASP 40 -5.809 3.498 -14.827 300 H TYR 41 H TYR 41 -6.000 0.787 -11.208 301 HA TYR 41 HA TYR 41 -8.302 -0.216 -12.788 302 HD1 TYR 41 HD1 TYR 41 -7.786 -2.591 -9.494 303 HD2 TYR 41 HD2 TYR 41 -8.167 -3.407 -13.717 304 HE1 TYR 41 HE1 TYR 41 -8.954 -4.616 -8.955 305 HE2 TYR 41 HE2 TYR 41 -9.590 -5.370 -13.198 306 HH TYR 41 HH TYR 41 -9.959 -6.573 -9.851 307 HB2 TYR 41 1HB TYR 41 -6.600 -1.827 -12.997 308 HB3 TYR 41 2HB TYR 41 -6.127 -1.694 -11.322 309 H VAL 42 H VAL 42 -10.179 -0.497 -11.716 310 HA VAL 42 HA VAL 42 -10.303 0.200 -8.818 311 HB VAL 42 HB VAL 42 -12.361 0.456 -11.022 312 HG11 VAL 42 1HG1 VAL 42 -12.752 0.505 -8.049 313 HG12 VAL 42 2HG1 VAL 42 -13.843 1.368 -9.168 314 HG13 VAL 42 3HG1 VAL 42 -13.655 -0.383 -9.272 315 HG21 VAL 42 3HG2 VAL 42 -11.143 2.506 -9.126 316 HG22 VAL 42 1HG2 VAL 42 -10.745 2.320 -10.853 317 HG23 VAL 42 2HG2 VAL 42 -12.365 2.817 -10.379 318 H MET 43 H MET 43 -10.495 -1.452 -7.582 319 HA MET 43 HA MET 43 -11.450 -4.106 -8.568 320 HB2 MET 43 1HB MET 43 -11.284 -4.631 -6.026 321 HB3 MET 43 2HB MET 43 -9.798 -4.576 -6.954 322 HG2 MET 43 1HG MET 43 -9.040 -2.758 -5.940 323 HG3 MET 43 2HG MET 43 -10.592 -1.990 -5.726 324 HE1 MET 43 3HE MET 43 -7.658 -3.781 -4.298 325 HE2 MET 43 1HE MET 43 -7.963 -2.118 -3.754 326 HE3 MET 43 2HE MET 43 -7.977 -3.455 -2.576 327 H THR 44 H THR 44 -13.332 -5.024 -7.631 328 HA THR 44 HA THR 44 -15.129 -3.132 -6.199 329 HB THR 44 HB THR 44 -17.019 -4.125 -7.499 330 HG1 THR 44 1HG THR 44 -16.046 -5.966 -8.362 331 HG21 THR 44 3HG2 THR 44 -14.931 -2.754 -9.267 332 HG22 THR 44 1HG2 THR 44 -16.692 -2.681 -9.427 333 HG23 THR 44 2HG2 THR 44 -15.903 -1.906 -8.050 334 H ASP 45 H ASP 45 -13.516 -6.146 -6.111 335 HA ASP 45 HA ASP 45 -15.335 -7.503 -4.320 336 HB2 ASP 45 1HB ASP 45 -12.922 -8.249 -5.568 337 HB3 ASP 45 2HB ASP 45 -12.402 -7.914 -3.936 338 H ARG 46 H ARG 46 -14.445 -8.058 -2.085 339 HA ARG 46 HA ARG 46 -13.564 -5.592 -0.677 340 HE ARG 46 HE ARG 46 -16.730 -10.526 0.682 341 HB2 ARG 46 1HB ARG 46 -14.724 -6.326 1.238 342 HB3 ARG 46 2HB ARG 46 -15.803 -6.330 -0.155 343 HG2 ARG 46 1HG ARG 46 -15.173 -8.893 -0.359 344 HG3 ARG 46 2HG ARG 46 -14.728 -8.743 1.351 345 HD2 ARG 46 1HD ARG 46 -16.982 -8.236 1.968 346 HD3 ARG 46 2HD ARG 46 -17.347 -7.693 0.321 347 HH11 ARG 46 2HH2 ARG 46 -19.084 -8.000 -0.112 348 HH12 ARG 46 1HH2 ARG 46 -20.180 -9.053 -0.941 349 HH21 ARG 46 2HH1 ARG 46 -18.250 -11.972 -0.359 350 HH22 ARG 46 1HH1 ARG 46 -19.708 -11.362 -1.076 351 H LEU 47 H LEU 47 -12.856 -9.000 -1.411 352 HA LEU 47 HA LEU 47 -11.195 -9.393 0.894 353 HG LEU 47 HG LEU 47 -13.089 -11.555 -0.217 354 HB2 LEU 47 1HB LEU 47 -11.382 -10.815 -1.784 355 HB3 LEU 47 2HB LEU 47 -10.109 -11.205 -0.620 356 HD11 LEU 47 1HD1 LEU 47 -10.778 -13.552 -0.120 357 HD12 LEU 47 2HD1 LEU 47 -12.511 -13.918 -0.026 358 HD13 LEU 47 3HD1 LEU 47 -11.825 -13.299 -1.528 359 HD21 LEU 47 3HD2 LEU 47 -10.802 -11.820 1.789 360 HD22 LEU 47 1HD2 LEU 47 -12.282 -10.832 1.953 361 HD23 LEU 47 2HD2 LEU 47 -12.380 -12.573 2.023 362 H ALA 48 H ALA 48 -10.403 -7.830 -2.268 363 HA ALA 48 HA ALA 48 -7.604 -7.941 -1.733 364 HB1 ALA 48 1HB ALA 48 -7.479 -5.891 -3.180 365 HB2 ALA 48 2HB ALA 48 -8.326 -7.266 -3.897 366 HB3 ALA 48 3HB ALA 48 -9.257 -5.904 -3.222 367 H GLY 49 H GLY 49 -10.111 -5.647 -0.574 368 HA2 GLY 49 1HA GLY 49 -8.391 -3.853 0.818 369 HA3 GLY 49 2HA GLY 49 -10.088 -4.191 1.224 370 H CYS 50 H CYS 50 -9.904 -6.954 1.742 371 HA CYS 50 HA CYS 50 -8.958 -6.946 4.433 372 HB2 CYS 50 1HB CYS 50 -9.552 -9.351 2.658 373 HB3 CYS 50 2HB CYS 50 -9.451 -9.347 4.389 374 H ALA 51 H ALA 51 -7.432 -8.195 1.395 375 HA ALA 51 HA ALA 51 -5.057 -9.142 2.586 376 HB1 ALA 51 1HB ALA 51 -5.975 -8.789 -0.075 377 HB2 ALA 51 2HB ALA 51 -4.497 -7.825 0.043 378 HB3 ALA 51 3HB ALA 51 -4.478 -9.545 0.467 379 H ILE 52 H ILE 52 -5.850 -5.818 1.387 380 HA ILE 52 HA ILE 52 -3.359 -4.667 1.976 381 HB ILE 52 HB ILE 52 -6.118 -3.425 1.936 382 HG12 ILE 52 1HG1 ILE 52 -3.898 -3.296 -0.163 383 HG13 ILE 52 2HG1 ILE 52 -5.211 -4.451 -0.224 384 HG21 ILE 52 1HG2 ILE 52 -3.361 -2.109 1.960 385 HG22 ILE 52 2HG2 ILE 52 -4.875 -1.232 1.681 386 HG23 ILE 52 3HG2 ILE 52 -4.576 -1.968 3.240 387 HD11 ILE 52 3HD1 ILE 52 -6.854 -2.530 -0.256 388 HD12 ILE 52 1HD1 ILE 52 -5.473 -1.429 -0.446 389 HD13 ILE 52 2HD1 ILE 52 -5.806 -2.644 -1.672 390 H ASN 53 H ASN 53 -6.285 -4.706 4.182 391 HA ASN 53 HA ASN 53 -4.788 -3.540 6.291 392 HB2 ASN 53 1HB ASN 53 -6.544 -3.843 7.737 393 HB3 ASN 53 2HB ASN 53 -7.323 -3.709 6.177 394 HD21 ASN 53 2HD2 ASN 53 -9.176 -4.835 6.621 395 HD22 ASN 53 1HD2 ASN 53 -9.237 -6.556 6.937 396 H CYS 54 H CYS 54 -4.665 -6.819 5.159 397 HA CYS 54 HA CYS 54 -3.446 -7.887 7.590 398 HB2 CYS 54 1HB CYS 54 -4.671 -9.368 6.298 399 HB3 CYS 54 2HB CYS 54 -3.884 -8.943 4.790 400 H LEU 55 H LEU 55 -2.272 -6.881 4.329 401 HA LEU 55 HA LEU 55 0.520 -7.200 4.836 402 HG LEU 55 HG LEU 55 0.474 -5.874 1.330 403 HB2 LEU 55 1HB LEU 55 -1.021 -5.162 3.183 404 HB3 LEU 55 2HB LEU 55 0.698 -5.003 3.438 405 HD11 LEU 55 1HD1 LEU 55 1.781 -7.866 1.383 406 HD12 LEU 55 2HD1 LEU 55 2.252 -6.880 2.772 407 HD13 LEU 55 3HD1 LEU 55 1.194 -8.291 3.007 408 HD21 LEU 55 3HD2 LEU 55 -1.248 -8.130 2.383 409 HD22 LEU 55 1HD2 LEU 55 -1.784 -6.751 1.395 410 HD23 LEU 55 2HD2 LEU 55 -0.655 -7.935 0.719 411 H ALA 56 H ALA 56 -1.725 -4.806 5.980 412 HA ALA 56 HA ALA 56 0.185 -2.856 6.959 413 HB1 ALA 56 1HB ALA 56 -2.196 -2.415 6.191 414 HB2 ALA 56 2HB ALA 56 -2.735 -3.251 7.661 415 HB3 ALA 56 3HB ALA 56 -1.793 -1.765 7.785 416 H THR 57 H THR 57 -1.153 -5.845 8.170 417 HA THR 57 HA THR 57 -0.694 -5.242 10.984 418 HB THR 57 HB THR 57 -2.579 -6.671 9.590 419 HG1 THR 57 1HG THR 57 -3.094 -6.035 11.514 420 HG21 THR 57 3HG2 THR 57 -0.888 -8.788 10.923 421 HG22 THR 57 1HG2 THR 57 -2.463 -8.977 10.100 422 HG23 THR 57 2HG2 THR 57 -1.032 -8.549 9.177 423 H LYS 58 H LYS 58 1.201 -5.963 8.190 424 HA LYS 58 HA LYS 58 3.106 -7.637 9.647 425 HB2 LYS 58 1HB LYS 58 1.579 -8.054 7.077 426 HB3 LYS 58 2HB LYS 58 3.229 -8.643 7.156 427 HG2 LYS 58 1HG LYS 58 2.798 -9.832 9.224 428 HG3 LYS 58 2HG LYS 58 1.094 -9.336 9.175 429 HD2 LYS 58 1HD LYS 58 0.891 -10.414 6.899 430 HD3 LYS 58 2HD LYS 58 2.523 -11.064 7.104 431 HE2 LYS 58 1HE LYS 58 0.111 -11.586 8.901 432 HE3 LYS 58 2HE LYS 58 0.714 -12.691 7.703 433 HZ1 LYS 58 3HZ LYS 58 2.747 -12.913 8.926 434 HZ2 LYS 58 1HZ LYS 58 2.243 -11.886 10.111 435 HZ3 LYS 58 2HZ LYS 58 1.468 -13.306 9.873 436 H LEU 59 H LEU 59 3.275 -4.844 9.505 437 HA LEU 59 HA LEU 59 4.733 -3.951 7.241 438 HG LEU 59 HG LEU 59 2.640 -3.017 9.539 439 HB2 LEU 59 1HB LEU 59 5.043 -2.850 10.055 440 HB3 LEU 59 2HB LEU 59 5.329 -2.002 8.536 441 HD11 LEU 59 1HD1 LEU 59 3.454 -1.144 10.896 442 HD12 LEU 59 2HD1 LEU 59 3.612 -0.163 9.396 443 HD13 LEU 59 3HD1 LEU 59 2.028 -0.735 9.936 444 HD21 LEU 59 3HD2 LEU 59 2.615 -2.880 7.083 445 HD22 LEU 59 1HD2 LEU 59 1.645 -1.581 7.818 446 HD23 LEU 59 2HD2 LEU 59 3.232 -1.208 7.173 447 H ASP 60 H ASP 60 5.710 -5.816 9.996 448 HA ASP 60 HA ASP 60 8.584 -5.446 9.945 449 HB2 ASP 60 1HB ASP 60 8.438 -7.229 11.618 450 HB3 ASP 60 2HB ASP 60 7.233 -5.998 12.001 451 H VAL 61 H VAL 61 6.249 -7.179 8.159 452 HA VAL 61 HA VAL 61 8.182 -9.196 7.202 453 HB VAL 61 HB VAL 61 5.221 -9.045 6.602 454 HG11 VAL 61 1HG1 VAL 61 5.534 -11.418 6.024 455 HG12 VAL 61 2HG1 VAL 61 6.670 -10.405 5.100 456 HG13 VAL 61 3HG1 VAL 61 7.238 -11.321 6.509 457 HG21 VAL 61 3HG2 VAL 61 6.626 -10.549 8.834 458 HG22 VAL 61 1HG2 VAL 61 5.331 -9.338 9.010 459 HG23 VAL 61 2HG2 VAL 61 4.968 -10.905 8.294 460 H VAL 62 H VAL 62 6.001 -6.489 6.115 461 HA VAL 62 HA VAL 62 6.893 -6.553 3.428 462 HB VAL 62 HB VAL 62 6.044 -4.097 5.054 463 HG11 VAL 62 1HG1 VAL 62 5.275 -3.272 2.766 464 HG12 VAL 62 2HG1 VAL 62 7.030 -3.405 2.947 465 HG13 VAL 62 3HG1 VAL 62 6.144 -4.662 2.045 466 HG21 VAL 62 3HG2 VAL 62 4.291 -5.877 3.312 467 HG22 VAL 62 1HG2 VAL 62 4.273 -5.887 5.078 468 HG23 VAL 62 2HG2 VAL 62 3.807 -4.434 4.239 469 H ASP 63 H ASP 63 8.302 -4.530 6.144 470 HA ASP 63 HA ASP 63 10.793 -4.374 4.484 471 HB2 ASP 63 1HB ASP 63 9.629 -2.212 4.402 472 HB3 ASP 63 2HB ASP 63 9.669 -2.123 6.153 473 HA PRO 64 HA PRO 64 11.640 -6.270 8.550 474 HB2 PRO 64 1HB PRO 64 13.489 -8.115 7.731 475 HB3 PRO 64 2HB PRO 64 11.730 -8.346 7.488 476 HG2 PRO 64 1HG PRO 64 13.743 -7.272 5.493 477 HG3 PRO 64 2HG PRO 64 12.531 -8.578 5.263 478 HD2 PRO 64 1HD PRO 64 12.054 -6.021 4.493 479 HD3 PRO 64 2HD PRO 64 10.754 -7.029 5.181 480 H ASP 65 H ASP 65 13.285 -4.110 6.583 481 HA ASP 65 HA ASP 65 15.908 -4.144 7.893 482 HB2 ASP 65 1HB ASP 65 14.938 -3.120 5.507 483 HB3 ASP 65 2HB ASP 65 14.929 -1.691 6.519 484 H GLY 66 H GLY 66 12.730 -2.689 8.289 485 HA2 GLY 66 1HA GLY 66 12.015 -2.307 10.563 486 HA3 GLY 66 2HA GLY 66 13.588 -1.626 10.955 487 H ASN 67 H ASN 67 11.999 -0.673 7.850 488 HA ASN 67 HA ASN 67 11.873 2.088 8.874 489 HB2 ASN 67 1HB ASN 67 11.317 0.908 6.114 490 HB3 ASN 67 2HB ASN 67 11.292 2.611 6.576 491 HD21 ASN 67 2HD2 ASN 67 13.388 -0.199 6.112 492 HD22 ASN 67 1HD2 ASN 67 14.894 0.766 6.180 493 H LEU 68 H LEU 68 9.708 -0.326 7.332 494 HA LEU 68 HA LEU 68 7.468 1.455 7.305 495 HG LEU 68 HG LEU 68 5.381 -1.434 6.499 496 HB2 LEU 68 1HB LEU 68 7.968 -0.429 5.727 497 HB3 LEU 68 2HB LEU 68 7.561 -1.569 6.970 498 HD11 LEU 68 1HD1 LEU 68 4.067 0.599 5.927 499 HD12 LEU 68 2HD1 LEU 68 4.796 0.638 7.529 500 HD13 LEU 68 3HD1 LEU 68 5.526 1.573 6.198 501 HD21 LEU 68 3HD2 LEU 68 4.819 -0.877 4.222 502 HD22 LEU 68 1HD2 LEU 68 6.236 0.188 4.089 503 HD23 LEU 68 2HD2 LEU 68 6.455 -1.562 4.267 504 H HIS 69 H HIS 69 6.265 1.988 9.012 505 HA HIS 69 HA HIS 69 5.342 0.031 10.903 506 HD1 HIS 69 HD1 HIS 69 7.081 -1.422 12.681 507 HD2 HIS 69 HD2 HIS 69 9.330 2.073 11.832 508 HE1 HIS 69 HE1 HIS 69 9.552 -2.117 12.650 509 HE2 HIS 69 HE2 HIS 69 10.909 0.001 12.183 510 HB2 HIS 69 1HB HIS 69 6.738 2.429 12.143 511 HB3 HIS 69 2HB HIS 69 5.862 1.139 12.945 512 H HIS 70 H HIS 70 3.880 1.346 12.573 513 HA HIS 70 HA HIS 70 1.790 2.520 11.112 514 HD1 HIS 70 HD1 HIS 70 0.636 0.829 15.388 515 HD2 HIS 70 HD2 HIS 70 0.958 0.638 11.188 516 HE1 HIS 70 HE1 HIS 70 -0.642 -1.261 14.631 517 HE2 HIS 70 HE2 HIS 70 -0.533 -1.243 11.992 518 HB2 HIS 70 1HB HIS 70 2.554 2.491 14.079 519 HB3 HIS 70 2HB HIS 70 1.078 3.234 13.495 520 H GLY 71 H GLY 71 1.323 4.483 10.444 521 HA2 GLY 71 1HA GLY 71 1.561 6.683 9.908 522 HA3 GLY 71 2HA GLY 71 2.032 6.932 11.594 523 H ASN 72 H ASN 72 4.106 4.797 9.739 524 HA ASN 72 HA ASN 72 6.198 6.909 9.810 525 HB2 ASN 72 1HB ASN 72 6.167 5.152 11.706 526 HB3 ASN 72 2HB ASN 72 6.631 3.990 10.462 527 HD21 ASN 72 2HD2 ASN 72 8.869 3.857 9.896 528 HD22 ASN 72 1HD2 ASN 72 10.031 5.036 10.421 529 H ALA 73 H ALA 73 4.551 6.048 7.463 530 HA ALA 73 HA ALA 73 6.166 4.422 5.790 531 HB1 ALA 73 1HB ALA 73 4.894 5.571 3.944 532 HB2 ALA 73 2HB ALA 73 3.812 5.090 5.266 533 HB3 ALA 73 3HB ALA 73 4.349 6.774 5.106 534 H LYS 74 H LYS 74 6.970 7.458 7.116 535 HA LYS 74 HA LYS 74 8.063 8.794 4.869 536 HB2 LYS 74 1HB LYS 74 7.612 9.204 7.748 537 HB3 LYS 74 2HB LYS 74 9.223 9.714 7.311 538 HG2 LYS 74 1HG LYS 74 8.455 11.362 5.806 539 HG3 LYS 74 2HG LYS 74 6.880 10.568 5.589 540 HD2 LYS 74 1HD LYS 74 6.160 11.149 7.793 541 HD3 LYS 74 2HD LYS 74 7.745 11.826 8.204 542 HE2 LYS 74 1HE LYS 74 7.460 13.644 6.604 543 HE3 LYS 74 2HE LYS 74 5.947 12.909 6.012 544 HZ1 LYS 74 3HZ LYS 74 5.009 13.204 8.230 545 HZ2 LYS 74 1HZ LYS 74 6.368 13.952 8.751 546 HZ3 LYS 74 2HZ LYS 74 5.420 14.635 7.561 547 H ASP 75 H ASP 75 9.573 6.948 7.617 548 HA ASP 75 HA ASP 75 12.215 7.043 6.589 549 HB2 ASP 75 1HB ASP 75 10.843 4.815 8.168 550 HB3 ASP 75 2HB ASP 75 12.573 4.913 7.859 551 H PHE 76 H PHE 76 9.449 4.927 5.876 552 HA PHE 76 HA PHE 76 11.006 2.943 4.434 553 HD1 PHE 76 HD1 PHE 76 10.147 0.479 4.127 554 HD2 PHE 76 HD2 PHE 76 7.138 2.969 2.247 555 HE1 PHE 76 HE1 PHE 76 9.785 -1.242 2.398 556 HE2 PHE 76 HE2 PHE 76 6.734 1.199 0.601 557 HZ PHE 76 HZ PHE 76 8.050 -0.878 0.622 558 HB2 PHE 76 1HB PHE 76 8.824 2.392 5.383 559 HB3 PHE 76 2HB PHE 76 8.038 3.594 4.371 560 H ALA 77 H ALA 77 9.178 5.857 3.448 561 HA ALA 77 HA ALA 77 9.713 5.630 0.645 562 HB1 ALA 77 1HB ALA 77 7.899 6.981 1.760 563 HB2 ALA 77 2HB ALA 77 9.137 8.130 2.304 564 HB3 ALA 77 3HB ALA 77 8.820 7.880 0.572 565 H MET 78 H MET 78 11.391 7.300 3.313 566 HA MET 78 HA MET 78 13.275 8.750 1.797 567 HB2 MET 78 1HB MET 78 13.486 7.558 4.575 568 HB3 MET 78 2HB MET 78 14.668 8.673 3.898 569 HG2 MET 78 1HG MET 78 11.787 9.520 3.848 570 HG3 MET 78 2HG MET 78 12.611 9.454 5.401 571 HE1 MET 78 3HE MET 78 12.617 13.140 5.147 572 HE2 MET 78 1HE MET 78 11.315 11.960 4.801 573 HE3 MET 78 2HE MET 78 12.446 11.678 6.139 574 H LYS 79 H LYS 79 13.425 5.412 3.049 575 HA LYS 79 HA LYS 79 16.165 5.011 2.076 576 HB2 LYS 79 1HB LYS 79 14.107 3.296 3.506 577 HB3 LYS 79 2HB LYS 79 15.544 2.550 2.831 578 HG2 LYS 79 1HG LYS 79 15.600 4.823 4.863 579 HG3 LYS 79 2HG LYS 79 15.772 3.109 5.205 580 HD2 LYS 79 1HD LYS 79 17.963 3.514 5.101 581 HD3 LYS 79 2HD LYS 79 17.726 3.219 3.405 582 HE2 LYS 79 1HE LYS 79 19.159 5.154 3.752 583 HE3 LYS 79 2HE LYS 79 17.677 5.668 2.958 584 HZ1 LYS 79 3HZ LYS 79 16.871 6.476 5.099 585 HZ2 LYS 79 1HZ LYS 79 18.219 5.948 5.853 586 HZ3 LYS 79 2HZ LYS 79 18.287 7.168 4.716 587 H HIS 80 H HIS 80 13.447 5.237 0.334 588 HA HIS 80 HA HIS 80 14.265 3.115 -1.622 589 HD1 HIS 80 HD1 HIS 80 11.414 1.005 -2.663 590 HD2 HIS 80 HD2 HIS 80 12.524 2.118 1.260 591 HE1 HIS 80 HE1 HIS 80 11.501 -1.115 -1.216 592 HE2 HIS 80 HE2 HIS 80 12.108 -0.406 1.169 593 HB2 HIS 80 1HB HIS 80 11.543 4.134 -0.760 594 HB3 HIS 80 2HB HIS 80 11.784 3.509 -2.370 595 H GLY 81 H GLY 81 12.498 6.241 -1.418 596 HA2 GLY 81 1HA GLY 81 14.028 7.588 -3.402 597 HA3 GLY 81 2HA GLY 81 12.740 6.694 -4.215 598 H ALA 82 H ALA 82 12.951 8.571 -1.111 599 HA ALA 82 HA ALA 82 11.343 10.675 -2.305 600 HB1 ALA 82 1HB ALA 82 10.545 9.314 0.297 601 HB2 ALA 82 2HB ALA 82 9.775 10.746 -0.376 602 HB3 ALA 82 3HB ALA 82 9.628 9.202 -1.235 603 H ASP 83 H ASP 83 11.335 12.529 -0.820 604 HA ASP 83 HA ASP 83 13.235 12.394 1.456 605 HB2 ASP 83 1HB ASP 83 13.021 15.140 0.419 606 HB3 ASP 83 2HB ASP 83 14.352 14.307 1.134 607 H GLU 84 H GLU 84 12.583 14.416 2.941 608 HA GLU 84 HA GLU 84 10.184 13.954 4.098 609 HB2 GLU 84 1HB GLU 84 12.407 15.569 4.480 610 HB3 GLU 84 2HB GLU 84 11.140 16.759 4.187 611 HG2 GLU 84 1HG GLU 84 9.811 15.526 6.033 612 HG3 GLU 84 2HG GLU 84 11.323 14.652 6.363 613 H THR 85 H THR 85 10.462 15.995 1.268 614 HA THR 85 HA THR 85 7.806 17.206 1.688 615 HB THR 85 HB THR 85 9.915 17.269 -0.468 616 HG1 THR 85 1HG THR 85 10.348 18.907 0.838 617 HG21 THR 85 3HG2 THR 85 7.107 18.433 -0.615 618 HG22 THR 85 1HG2 THR 85 8.458 18.964 -1.641 619 HG23 THR 85 2HG2 THR 85 7.856 17.307 -1.760 620 H MET 86 H MET 86 9.155 15.027 -0.894 621 HA MET 86 HA MET 86 6.778 13.960 -1.862 622 HB2 MET 86 1HB MET 86 9.528 12.707 -1.432 623 HB3 MET 86 2HB MET 86 8.236 11.893 -2.321 624 HG2 MET 86 1HG MET 86 8.244 13.505 -4.021 625 HG3 MET 86 2HG MET 86 9.180 14.665 -3.092 626 HE1 MET 86 3HE MET 86 9.271 11.516 -5.484 627 HE2 MET 86 1HE MET 86 10.895 10.880 -5.183 628 HE3 MET 86 2HE MET 86 9.659 10.779 -3.916 629 H ALA 87 H ALA 87 8.688 12.858 0.931 630 HA ALA 87 HA ALA 87 7.096 10.512 1.451 631 HB1 ALA 87 1HB ALA 87 9.474 10.810 2.163 632 HB2 ALA 87 2HB ALA 87 8.947 12.059 3.320 633 HB3 ALA 87 3HB ALA 87 8.405 10.380 3.506 634 H GLN 88 H GLN 88 6.681 13.886 2.343 635 HA GLN 88 HA GLN 88 4.638 13.286 4.390 636 HB2 GLN 88 1HB GLN 88 6.065 15.068 4.940 637 HB3 GLN 88 2HB GLN 88 6.036 15.742 3.323 638 HG2 GLN 88 1HG GLN 88 4.832 17.149 4.881 639 HG3 GLN 88 2HG GLN 88 3.771 16.538 3.619 640 HE21 GLN 88 2HE2 GLN 88 1.772 16.048 4.460 641 HE22 GLN 88 1HE2 GLN 88 1.461 15.402 6.046 642 H GLN 89 H GLN 89 4.932 14.436 1.001 643 HA GLN 89 HA GLN 89 2.303 15.283 0.534 644 HB2 GLN 89 1HB GLN 89 4.242 13.824 -1.290 645 HB3 GLN 89 2HB GLN 89 2.676 14.377 -1.796 646 HG2 GLN 89 1HG GLN 89 3.911 16.607 -0.468 647 HG3 GLN 89 2HG GLN 89 5.106 15.871 -1.544 648 HE21 GLN 89 2HE2 GLN 89 4.858 16.076 -3.735 649 HE22 GLN 89 1HE2 GLN 89 3.532 16.936 -4.496 650 H LEU 90 H LEU 90 3.615 11.949 0.318 651 HA LEU 90 HA LEU 90 1.175 10.732 -0.491 652 HG LEU 90 HG LEU 90 4.451 10.576 -0.969 653 HB2 LEU 90 1HB LEU 90 3.551 9.497 0.990 654 HB3 LEU 90 2HB LEU 90 2.347 8.630 0.038 655 HD11 LEU 90 1HD1 LEU 90 5.122 8.498 -2.303 656 HD12 LEU 90 2HD1 LEU 90 5.569 8.606 -0.596 657 HD13 LEU 90 3HD1 LEU 90 4.232 7.586 -1.032 658 HD21 LEU 90 3HD2 LEU 90 3.671 10.005 -3.281 659 HD22 LEU 90 1HD2 LEU 90 2.152 9.415 -2.533 660 HD23 LEU 90 2HD2 LEU 90 2.665 11.102 -2.346 661 H VAL 91 H VAL 91 2.710 11.096 2.771 662 HA VAL 91 HA VAL 91 0.705 9.832 4.245 663 HB VAL 91 HB VAL 91 2.996 11.567 4.734 664 HG11 VAL 91 1HG1 VAL 91 2.365 12.553 6.870 665 HG12 VAL 91 2HG1 VAL 91 1.406 13.246 5.564 666 HG13 VAL 91 3HG1 VAL 91 0.680 12.037 6.630 667 HG21 VAL 91 3HG2 VAL 91 3.050 10.253 6.848 668 HG22 VAL 91 1HG2 VAL 91 1.440 9.590 6.450 669 HG23 VAL 91 2HG2 VAL 91 2.845 9.242 5.412 670 H ASP 92 H ASP 92 0.840 13.180 2.919 671 HA ASP 92 HA ASP 92 -1.597 13.934 4.181 672 HB2 ASP 92 1HB ASP 92 0.363 15.370 3.068 673 HB3 ASP 92 2HB ASP 92 -0.755 15.373 1.697 674 H ILE 93 H ILE 93 -0.947 12.279 1.112 675 HA ILE 93 HA ILE 93 -3.632 12.640 0.070 676 HB ILE 93 HB ILE 93 -1.644 10.391 -0.540 677 HG12 ILE 93 1HG1 ILE 93 -2.225 13.069 -1.864 678 HG13 ILE 93 2HG1 ILE 93 -0.698 12.471 -1.239 679 HG21 ILE 93 1HG2 ILE 93 -4.030 9.808 -1.083 680 HG22 ILE 93 2HG2 ILE 93 -4.129 11.313 -2.011 681 HG23 ILE 93 3HG2 ILE 93 -3.075 9.976 -2.551 682 HD11 ILE 93 3HD1 ILE 93 -0.657 12.456 -3.611 683 HD12 ILE 93 1HD1 ILE 93 -0.600 10.769 -3.029 684 HD13 ILE 93 2HD1 ILE 93 -2.086 11.468 -3.748 685 H ILE 94 H ILE 94 -2.133 10.171 2.257 686 HA ILE 94 HA ILE 94 -4.657 8.636 2.263 687 HB ILE 94 HB ILE 94 -2.437 7.538 2.421 688 HG12 ILE 94 1HG1 ILE 94 -3.395 6.099 4.478 689 HG13 ILE 94 2HG1 ILE 94 -4.836 7.084 4.134 690 HG21 ILE 94 1HG2 ILE 94 -2.405 8.494 5.280 691 HG22 ILE 94 2HG2 ILE 94 -1.368 7.260 4.594 692 HG23 ILE 94 3HG2 ILE 94 -1.248 8.911 3.996 693 HD11 ILE 94 3HD1 ILE 94 -4.729 6.295 1.766 694 HD12 ILE 94 1HD1 ILE 94 -3.297 5.328 2.169 695 HD13 ILE 94 2HD1 ILE 94 -4.855 4.959 2.931 696 H HIS 95 H HIS 95 -2.999 10.984 4.423 697 HA HIS 95 HA HIS 95 -5.075 10.910 6.393 698 HD1 HIS 95 HD1 HIS 95 -1.536 13.378 8.269 699 HD2 HIS 95 HD2 HIS 95 -2.978 9.649 6.868 700 HE1 HIS 95 HE1 HIS 95 -0.187 11.565 9.419 701 HE2 HIS 95 HE2 HIS 95 -1.135 9.252 8.550 702 HB2 HIS 95 1HB HIS 95 -3.064 13.088 5.623 703 HB3 HIS 95 2HB HIS 95 -4.110 13.206 7.012 704 H GLY 96 H GLY 96 -4.835 12.515 3.286 705 HA2 GLY 96 1HA GLY 96 -7.043 14.323 3.676 706 HA3 GLY 96 2HA GLY 96 -6.340 13.807 2.138 707 H CYS 97 H CYS 97 -6.633 11.243 1.890 708 HA CYS 97 HA CYS 97 -9.313 10.958 1.071 709 HB2 CYS 97 1HB CYS 97 -6.904 9.138 1.302 710 HB3 CYS 97 2HB CYS 97 -8.448 8.496 0.796 711 H GLU 98 H GLU 98 -7.653 9.771 4.012 712 HA GLU 98 HA GLU 98 -9.574 7.834 4.709 713 HB2 GLU 98 1HB GLU 98 -8.425 7.638 6.758 714 HB3 GLU 98 2HB GLU 98 -7.147 8.059 5.585 715 HG2 GLU 98 1HG GLU 98 -7.183 10.326 6.248 716 HG3 GLU 98 2HG GLU 98 -8.538 9.990 7.297 717 H LYS 99 H LYS 99 -9.424 11.237 5.248 718 HA LYS 99 HA LYS 99 -11.717 11.296 7.121 719 HB2 LYS 99 1HB LYS 99 -9.577 13.226 6.269 720 HB3 LYS 99 2HB LYS 99 -11.169 13.927 6.463 721 HG2 LYS 99 1HG LYS 99 -10.308 14.262 8.523 722 HG3 LYS 99 2HG LYS 99 -11.294 12.832 8.768 723 HD2 LYS 99 1HD LYS 99 -8.442 12.275 8.065 724 HD3 LYS 99 2HD LYS 99 -8.666 13.199 9.550 725 HE2 LYS 99 1HE LYS 99 -10.277 11.452 10.363 726 HE3 LYS 99 2HE LYS 99 -9.879 10.475 8.939 727 HZ1 LYS 99 3HZ LYS 99 -8.058 11.235 11.146 728 HZ2 LYS 99 1HZ LYS 99 -8.553 9.734 10.703 729 HZ3 LYS 99 2HZ LYS 99 -7.508 10.579 9.767 730 H SER 100 H SER 100 -10.977 12.370 3.728 731 HA SER 100 HA SER 100 -13.575 13.338 3.193 732 HG SER 100 HG SER 100 -11.089 14.548 1.091 733 HB2 SER 100 1HB SER 100 -11.246 12.309 1.547 734 HB3 SER 100 2HB SER 100 -12.725 12.928 0.836 735 H ALA 101 H ALA 101 -12.535 10.114 3.765 736 HA ALA 101 HA ALA 101 -13.975 8.665 1.935 737 HB1 ALA 101 1HB ALA 101 -13.303 7.992 4.842 738 HB2 ALA 101 2HB ALA 101 -13.691 6.807 3.591 739 HB3 ALA 101 3HB ALA 101 -12.224 7.780 3.461 740 HA PRO 102 HA PRO 102 -18.175 9.175 3.227 741 HB2 PRO 102 1HB PRO 102 -19.310 6.803 2.378 742 HB3 PRO 102 2HB PRO 102 -18.767 8.102 1.288 743 HG2 PRO 102 1HG PRO 102 -17.334 5.556 2.045 744 HG3 PRO 102 2HG PRO 102 -17.484 6.318 0.429 745 HD2 PRO 102 1HD PRO 102 -15.274 6.587 2.016 746 HD3 PRO 102 2HD PRO 102 -15.785 7.890 0.912 747 HA PRO 103 HA PRO 103 -18.862 7.184 7.146 748 HB2 PRO 103 1HB PRO 103 -21.529 6.981 7.420 749 HB3 PRO 103 2HB PRO 103 -20.691 8.568 7.422 750 HG2 PRO 103 1HG PRO 103 -22.114 7.233 5.096 751 HG3 PRO 103 2HG PRO 103 -22.248 8.933 5.644 752 HD2 PRO 103 1HD PRO 103 -20.618 8.184 3.589 753 HD3 PRO 103 2HD PRO 103 -20.163 9.490 4.721 754 H ASN 104 H ASN 104 -17.798 5.357 6.366 755 HA ASN 104 HA ASN 104 -19.342 2.956 6.795 756 HB2 ASN 104 1HB ASN 104 -19.456 3.023 4.327 757 HB3 ASN 104 2HB ASN 104 -17.700 3.210 4.224 758 HD21 ASN 104 2HD2 ASN 104 -17.787 1.070 2.921 759 HD22 ASN 104 1HD2 ASN 104 -18.026 -0.396 3.888 760 H ASP 105 H ASP 105 -18.164 2.518 8.617 761 HA ASP 105 HA ASP 105 -15.206 2.745 8.491 762 HB2 ASP 105 1HB ASP 105 -16.840 2.595 11.008 763 HB3 ASP 105 2HB ASP 105 -15.147 2.906 10.859 764 H ASP 106 H ASP 106 -14.444 0.734 7.910 765 HA ASP 106 HA ASP 106 -15.670 -1.755 8.948 766 HB2 ASP 106 1HB ASP 106 -16.899 -1.091 6.874 767 HB3 ASP 106 2HB ASP 106 -15.377 -1.043 5.970 768 H LYS 107 H LYS 107 -14.152 -3.646 8.101 769 HA LYS 107 HA LYS 107 -11.365 -2.789 8.662 770 HB2 LYS 107 1HB LYS 107 -12.812 -5.458 8.602 771 HB3 LYS 107 2HB LYS 107 -11.068 -5.410 8.400 772 HG2 LYS 107 1HG LYS 107 -11.713 -3.680 10.577 773 HG3 LYS 107 2HG LYS 107 -12.579 -5.186 10.836 774 HD2 LYS 107 1HD LYS 107 -9.585 -4.906 10.288 775 HD3 LYS 107 2HD LYS 107 -10.296 -5.016 11.895 776 HE2 LYS 107 1HE LYS 107 -11.225 -7.264 11.307 777 HE3 LYS 107 2HE LYS 107 -10.412 -7.172 9.746 778 HZ1 LYS 107 3HZ LYS 107 -9.070 -8.403 11.296 779 HZ2 LYS 107 1HZ LYS 107 -8.290 -7.002 10.976 780 HZ3 LYS 107 2HZ LYS 107 -9.101 -7.184 12.398 781 H CYS 108 H CYS 108 -13.336 -3.918 5.951 782 HA CYS 108 HA CYS 108 -10.799 -4.102 4.367 783 HB2 CYS 108 1HB CYS 108 -13.410 -5.542 3.828 784 HB3 CYS 108 2HB CYS 108 -11.905 -5.648 2.912 785 H MET 109 H MET 109 -14.263 -3.016 4.356 786 HA MET 109 HA MET 109 -14.080 -2.118 1.661 787 HB2 MET 109 1HB MET 109 -16.013 -1.233 3.820 788 HB3 MET 109 2HB MET 109 -16.180 -0.895 2.088 789 HG2 MET 109 1HG MET 109 -16.424 -3.542 3.512 790 HG3 MET 109 2HG MET 109 -17.611 -2.686 2.525 791 HE1 MET 109 3HE MET 109 -15.509 -1.991 -0.073 792 HE2 MET 109 1HE MET 109 -16.072 -3.326 -1.142 793 HE3 MET 109 2HE MET 109 -17.246 -2.323 -0.210 794 H LYS 110 H LYS 110 -13.793 -0.307 4.809 795 HA LYS 110 HA LYS 110 -13.605 2.295 3.657 796 HB2 LYS 110 1HB LYS 110 -14.037 1.836 6.075 797 HB3 LYS 110 2HB LYS 110 -12.367 1.319 6.273 798 HG2 LYS 110 1HG LYS 110 -11.574 3.599 5.611 799 HG3 LYS 110 2HG LYS 110 -13.249 4.092 5.381 800 HD2 LYS 110 1HD LYS 110 -13.240 3.055 7.976 801 HD3 LYS 110 2HD LYS 110 -11.683 3.818 7.884 802 HE2 LYS 110 1HE LYS 110 -14.227 5.242 6.981 803 HE3 LYS 110 2HE LYS 110 -13.750 5.227 8.686 804 HZ1 LYS 110 3HZ LYS 110 -11.827 6.162 6.675 805 HZ2 LYS 110 1HZ LYS 110 -12.979 7.187 7.274 806 HZ3 LYS 110 2HZ LYS 110 -11.856 6.462 8.251 807 H THR 111 H THR 111 -11.029 0.022 4.615 808 HA THR 111 HA THR 111 -8.783 1.293 3.615 809 HB THR 111 HB THR 111 -9.581 -1.645 3.535 810 HG1 THR 111 1HG THR 111 -9.341 -0.757 5.585 811 HG21 THR 111 3HG2 THR 111 -7.166 -2.143 3.448 812 HG22 THR 111 1HG2 THR 111 -7.762 -1.440 1.923 813 HG23 THR 111 2HG2 THR 111 -6.830 -0.434 3.067 814 H ILE 112 H ILE 112 -11.122 -0.640 1.601 815 HA ILE 112 HA ILE 112 -9.725 -0.207 -0.787 816 HB ILE 112 HB ILE 112 -12.624 -0.871 -0.167 817 HG12 ILE 112 1HG1 ILE 112 -10.331 -2.485 -1.350 818 HG13 ILE 112 2HG1 ILE 112 -10.667 -2.400 0.351 819 HG21 ILE 112 1HG2 ILE 112 -11.460 -0.959 -2.976 820 HG22 ILE 112 2HG2 ILE 112 -13.071 -1.460 -2.453 821 HG23 ILE 112 3HG2 ILE 112 -12.648 0.244 -2.401 822 HD11 ILE 112 3HD1 ILE 112 -12.929 -3.349 0.010 823 HD12 ILE 112 1HD1 ILE 112 -12.579 -3.481 -1.733 824 HD13 ILE 112 2HD1 ILE 112 -11.640 -4.426 -0.578 825 H ASP 113 H ASP 113 -12.370 1.758 0.654 826 HA ASP 113 HA ASP 113 -12.695 3.579 -1.470 827 HB2 ASP 113 1HB ASP 113 -13.075 3.976 1.523 828 HB3 ASP 113 2HB ASP 113 -13.559 5.137 0.289 829 H VAL 114 H VAL 114 -10.726 3.904 1.519 830 HA VAL 114 HA VAL 114 -9.554 6.377 0.777 831 HB VAL 114 HB VAL 114 -8.567 4.306 2.796 832 HG11 VAL 114 1HG1 VAL 114 -6.882 6.109 2.512 833 HG12 VAL 114 2HG1 VAL 114 -8.129 7.344 2.722 834 HG13 VAL 114 3HG1 VAL 114 -7.711 6.335 4.077 835 HG21 VAL 114 3HG2 VAL 114 -9.871 5.660 4.418 836 HG22 VAL 114 1HG2 VAL 114 -10.434 6.698 3.084 837 HG23 VAL 114 2HG2 VAL 114 -10.963 5.012 3.200 838 H ALA 115 H ALA 115 -8.451 2.990 0.173 839 HA ALA 115 HA ALA 115 -5.979 3.686 -1.035 840 HB1 ALA 115 1HB ALA 115 -6.028 1.393 -1.930 841 HB2 ALA 115 2HB ALA 115 -6.525 1.412 -0.230 842 HB3 ALA 115 3HB ALA 115 -7.748 1.242 -1.502 843 H MET 116 H MET 116 -9.251 3.279 -2.516 844 HA MET 116 HA MET 116 -8.153 3.601 -5.210 845 HB2 MET 116 1HB MET 116 -10.389 3.656 -6.050 846 HB3 MET 116 2HB MET 116 -10.215 2.346 -4.938 847 HG2 MET 116 1HG MET 116 -11.586 3.282 -3.321 848 HG3 MET 116 2HG MET 116 -11.424 4.894 -3.866 849 HE1 MET 116 3HE MET 116 -12.145 2.227 -6.777 850 HE2 MET 116 1HE MET 116 -12.632 1.361 -5.296 851 HE3 MET 116 2HE MET 116 -13.847 1.883 -6.483 852 H CYS 117 H CYS 117 -9.649 5.730 -2.770 853 HA CYS 117 HA CYS 117 -9.712 8.092 -4.265 854 HB2 CYS 117 1HB CYS 117 -10.782 7.989 -2.140 855 HB3 CYS 117 2HB CYS 117 -9.301 7.548 -1.313 856 H PHE 118 H PHE 118 -7.098 6.681 -2.221 857 HA PHE 118 HA PHE 118 -5.193 8.626 -2.538 858 HD1 PHE 118 HD1 PHE 118 -2.476 6.451 -3.850 859 HD2 PHE 118 HD2 PHE 118 -3.434 7.492 0.223 860 HE1 PHE 118 HE1 PHE 118 -0.074 7.111 -3.380 861 HE2 PHE 118 HE2 PHE 118 -1.073 8.066 0.630 862 HZ PHE 118 HZ PHE 118 0.578 7.936 -1.337 863 HB2 PHE 118 1HB PHE 118 -5.079 6.532 -1.116 864 HB3 PHE 118 2HB PHE 118 -4.640 5.628 -2.550 865 H LYS 119 H LYS 119 -5.620 5.793 -4.807 866 HA LYS 119 HA LYS 119 -3.639 6.653 -6.609 867 HB2 LYS 119 1HB LYS 119 -4.955 4.433 -6.497 868 HB3 LYS 119 2HB LYS 119 -6.218 5.295 -7.380 869 HG2 LYS 119 1HG LYS 119 -3.986 5.863 -8.948 870 HG3 LYS 119 2HG LYS 119 -3.537 4.294 -8.302 871 HD2 LYS 119 1HD LYS 119 -6.028 5.072 -9.813 872 HD3 LYS 119 2HD LYS 119 -4.756 4.021 -10.405 873 HE2 LYS 119 1HE LYS 119 -5.432 2.197 -9.065 874 HE3 LYS 119 2HE LYS 119 -6.195 3.216 -7.860 875 HZ1 LYS 119 3HZ LYS 119 -7.302 2.930 -10.564 876 HZ2 LYS 119 1HZ LYS 119 -7.825 2.083 -9.229 877 HZ3 LYS 119 2HZ LYS 119 -7.961 3.721 -9.320 878 H LYS 120 H LYS 120 -7.093 7.691 -6.400 879 HA LYS 120 HA LYS 120 -7.109 9.118 -8.904 880 HB2 LYS 120 1HB LYS 120 -8.624 9.683 -6.309 881 HB3 LYS 120 2HB LYS 120 -8.906 10.482 -7.829 882 HG2 LYS 120 1HG LYS 120 -9.206 7.472 -7.555 883 HG3 LYS 120 2HG LYS 120 -10.492 8.622 -7.189 884 HD2 LYS 120 1HD LYS 120 -10.217 9.568 -9.525 885 HD3 LYS 120 2HD LYS 120 -9.133 8.204 -9.874 886 HE2 LYS 120 1HE LYS 120 -11.524 7.207 -8.568 887 HE3 LYS 120 2HE LYS 120 -12.032 8.317 -9.841 888 HZ1 LYS 120 3HZ LYS 120 -10.834 6.997 -11.438 889 HZ2 LYS 120 1HZ LYS 120 -10.223 6.014 -10.287 890 HZ3 LYS 120 2HZ LYS 120 -11.844 6.026 -10.566 891 H GLU 121 H GLU 121 -6.124 10.041 -5.560 892 HA GLU 121 HA GLU 121 -5.467 12.774 -6.242 893 HB2 GLU 121 1HB GLU 121 -4.974 10.893 -3.935 894 HB3 GLU 121 2HB GLU 121 -4.381 12.546 -3.898 895 HG2 GLU 121 1HG GLU 121 -7.319 11.800 -4.242 896 HG3 GLU 121 2HG GLU 121 -6.543 12.019 -2.683 897 H ILE 122 H ILE 122 -3.656 9.694 -6.588 898 HA ILE 122 HA ILE 122 -1.094 10.864 -6.578 899 HB ILE 122 HB ILE 122 -2.200 8.475 -8.104 900 HG12 ILE 122 1HG1 ILE 122 -0.660 8.917 -5.508 901 HG13 ILE 122 2HG1 ILE 122 -2.236 8.241 -5.700 902 HG21 ILE 122 1HG2 ILE 122 -0.259 9.313 -9.324 903 HG22 ILE 122 2HG2 ILE 122 0.688 9.296 -7.818 904 HG23 ILE 122 3HG2 ILE 122 0.082 7.780 -8.537 905 HD11 ILE 122 3HD1 ILE 122 0.300 6.839 -6.518 906 HD12 ILE 122 1HD1 ILE 122 -0.720 6.491 -5.138 907 HD13 ILE 122 2HD1 ILE 122 -1.355 6.213 -6.772 908 H HIS 123 H HIS 123 -3.752 11.252 -8.905 909 HA HIS 123 HA HIS 123 -2.253 12.306 -11.060 910 HD1 HIS 123 HD1 HIS 123 -5.500 12.504 -13.460 911 HD2 HIS 123 HD2 HIS 123 -4.651 9.803 -10.308 912 HE1 HIS 123 HE1 HIS 123 -6.195 10.164 -14.274 913 HE2 HIS 123 HE2 HIS 123 -5.793 8.551 -12.334 914 HB2 HIS 123 1HB HIS 123 -5.057 12.925 -10.017 915 HB3 HIS 123 2HB HIS 123 -4.379 13.586 -11.466 916 H LYS 124 H LYS 124 -3.178 13.813 -7.822 917 HA LYS 124 HA LYS 124 -2.637 16.421 -9.115 918 HB2 LYS 124 1HB LYS 124 -3.071 17.460 -6.960 919 HB3 LYS 124 2HB LYS 124 -4.405 16.546 -7.619 920 HG2 LYS 124 1HG LYS 124 -4.417 16.254 -5.325 921 HG3 LYS 124 2HG LYS 124 -3.983 14.722 -6.030 922 HD2 LYS 124 1HD LYS 124 -2.284 14.574 -4.596 923 HD3 LYS 124 2HD LYS 124 -1.501 16.009 -5.270 924 HE2 LYS 124 1HE LYS 124 -3.796 16.188 -3.280 925 HE3 LYS 124 2HE LYS 124 -2.123 15.961 -2.741 926 HZ1 LYS 124 3HZ LYS 124 -1.501 17.994 -3.683 927 HZ2 LYS 124 1HZ LYS 124 -2.940 18.224 -4.463 928 HZ3 LYS 124 2HZ LYS 124 -2.888 18.275 -2.831 929 H LEU 125 H LEU 125 -0.722 14.006 -7.574 930 HA LEU 125 HA LEU 125 1.214 15.672 -6.330 931 HG LEU 125 HG LEU 125 0.008 13.069 -5.609 932 HB2 LEU 125 1HB LEU 125 1.481 12.954 -7.713 933 HB3 LEU 125 2HB LEU 125 2.735 13.673 -6.761 934 HD11 LEU 125 1HD1 LEU 125 1.130 11.049 -6.395 935 HD12 LEU 125 2HD1 LEU 125 2.606 11.487 -5.494 936 HD13 LEU 125 3HD1 LEU 125 1.090 11.099 -4.630 937 HD21 LEU 125 3HD2 LEU 125 2.702 13.862 -4.370 938 HD22 LEU 125 1HD2 LEU 125 1.174 14.771 -4.298 939 HD23 LEU 125 2HD2 LEU 125 1.346 13.248 -3.433 940 H ASN 126 H ASN 126 0.914 14.552 -9.654 941 HA ASN 126 HA ASN 126 1.882 15.163 -11.614 942 HB2 ASN 126 1HB ASN 126 3.128 17.577 -10.275 943 HB3 ASN 126 2HB ASN 126 2.938 17.271 -11.992 944 HD21 ASN 126 2HD2 ASN 126 0.044 16.085 -10.936 945 HD22 ASN 126 1HD2 ASN 126 -0.750 17.535 -10.501 946 H TRP 127 H TRP 127 3.128 13.656 -9.415 947 HA TRP 127 HA TRP 127 5.371 12.885 -11.146 948 HD1 TRP 127 HD1 TRP 127 4.812 15.012 -7.507 949 HE1 TRP 127 HE1 TRP 127 4.685 14.424 -5.059 950 HE3 TRP 127 HE3 TRP 127 7.091 10.450 -7.708 951 HZ2 TRP 127 HZ2 TRP 127 5.452 12.270 -3.354 952 HZ3 TRP 127 HZ3 TRP 127 7.595 9.247 -5.600 953 HH2 TRP 127 HH2 TRP 127 6.732 10.077 -3.410 954 HB2 TRP 127 1HB TRP 127 6.923 12.398 -9.357 955 HB3 TRP 127 2HB TRP 127 6.548 14.097 -9.421 956 H VAL 128 H VAL 128 6.170 10.591 -9.713 957 HA VAL 128 HA VAL 128 3.703 8.998 -9.697 958 HB VAL 128 HB VAL 128 4.472 9.136 -11.891 959 HG11 VAL 128 1HG1 VAL 128 6.932 7.614 -11.116 960 HG12 VAL 128 2HG1 VAL 128 6.479 8.219 -12.727 961 HG13 VAL 128 3HG1 VAL 128 6.887 9.355 -11.411 962 HG21 VAL 128 3HG2 VAL 128 3.264 7.118 -11.106 963 HG22 VAL 128 1HG2 VAL 128 4.423 6.707 -12.380 964 HG23 VAL 128 2HG2 VAL 128 4.813 6.349 -10.687 965 HA PRO 129 HA PRO 129 6.260 7.703 -6.226 966 HB2 PRO 129 1HB PRO 129 4.135 6.473 -4.848 967 HB3 PRO 129 2HB PRO 129 4.763 8.132 -4.594 968 HG2 PRO 129 1HG PRO 129 2.345 7.223 -6.034 969 HG3 PRO 129 2HG PRO 129 2.655 8.796 -5.227 970 HD2 PRO 129 1HD PRO 129 2.709 8.277 -8.000 971 HD3 PRO 129 2HD PRO 129 3.529 9.682 -7.250 972 H ASN 130 H ASN 130 7.183 5.846 -5.851 973 HA ASN 130 HA ASN 130 7.154 3.712 -7.679 974 HB2 ASN 130 1HB ASN 130 8.088 3.732 -4.777 975 HB3 ASN 130 2HB ASN 130 8.496 2.485 -5.965 976 HD21 ASN 130 2HD2 ASN 130 10.226 4.562 -4.428 977 HD22 ASN 130 1HD2 ASN 130 11.133 5.326 -5.707 978 H MET 131 H MET 131 6.286 1.509 -7.457 979 HA MET 131 HA MET 131 3.820 0.986 -6.278 980 HB2 MET 131 1HB MET 131 6.205 -0.915 -6.507 981 HB3 MET 131 2HB MET 131 4.559 -1.426 -6.132 982 HG2 MET 131 1HG MET 131 5.361 0.008 -8.685 983 HG3 MET 131 2HG MET 131 5.254 -1.732 -8.528 984 HE1 MET 131 3HE MET 131 3.237 -3.128 -8.668 985 HE2 MET 131 1HE MET 131 2.590 -2.546 -7.113 986 HE3 MET 131 2HE MET 131 1.556 -2.569 -8.558 987 H ASP 132 H ASP 132 7.019 0.647 -4.802 988 HA ASP 132 HA ASP 132 6.467 -0.143 -2.244 989 HB2 ASP 132 1HB ASP 132 8.495 2.054 -2.728 990 HB3 ASP 132 2HB ASP 132 8.573 0.704 -1.609 991 H LEU 133 H LEU 133 6.875 3.301 -3.186 992 HA LEU 133 HA LEU 133 5.976 4.534 -0.900 993 HG LEU 133 HG LEU 133 6.850 7.277 -1.823 994 HB2 LEU 133 1HB LEU 133 6.194 5.199 -3.826 995 HB3 LEU 133 2HB LEU 133 5.180 6.251 -2.895 996 HD11 LEU 133 1HD1 LEU 133 7.759 5.701 -0.541 997 HD12 LEU 133 2HD1 LEU 133 8.559 4.841 -1.907 998 HD13 LEU 133 3HD1 LEU 133 9.092 6.482 -1.401 999 HD21 LEU 133 3HD2 LEU 133 8.641 7.791 -3.332 1000 HD22 LEU 133 1HD2 LEU 133 8.367 6.291 -4.242 1001 HD23 LEU 133 2HD2 LEU 133 7.135 7.584 -4.221 1002 H VAL 134 H VAL 134 3.921 3.328 -3.623 1003 HA VAL 134 HA VAL 134 1.540 4.652 -2.564 1004 HB VAL 134 HB VAL 134 1.814 2.377 -4.574 1005 HG11 VAL 134 1HG1 VAL 134 -0.587 4.144 -3.857 1006 HG12 VAL 134 2HG1 VAL 134 -0.512 2.999 -5.212 1007 HG13 VAL 134 3HG1 VAL 134 -0.446 2.404 -3.547 1008 HG21 VAL 134 3HG2 VAL 134 2.832 4.427 -5.434 1009 HG22 VAL 134 1HG2 VAL 134 1.245 4.251 -6.186 1010 HG23 VAL 134 2HG2 VAL 134 1.468 5.395 -4.851 1011 H ILE 135 H ILE 135 2.588 1.228 -2.602 1012 HA ILE 135 HA ILE 135 0.310 0.441 -1.078 1013 HB ILE 135 HB ILE 135 2.910 -1.041 -1.655 1014 HG12 ILE 135 1HG1 ILE 135 0.281 -1.095 -3.179 1015 HG13 ILE 135 2HG1 ILE 135 1.659 -0.188 -3.723 1016 HG21 ILE 135 1HG2 ILE 135 1.472 -2.100 0.151 1017 HG22 ILE 135 2HG2 ILE 135 0.135 -2.173 -1.003 1018 HG23 ILE 135 3HG2 ILE 135 1.637 -3.103 -1.276 1019 HD11 ILE 135 3HD1 ILE 135 3.004 -2.308 -3.790 1020 HD12 ILE 135 1HD1 ILE 135 1.474 -3.191 -3.538 1021 HD13 ILE 135 2HD1 ILE 135 1.682 -2.172 -4.967 1022 H GLY 136 H GLY 136 3.690 1.268 -0.193 1023 HA2 GLY 136 1HA GLY 136 3.611 0.314 2.494 1024 HA3 GLY 136 2HA GLY 136 4.648 1.595 1.851 1025 H GLU 137 H GLU 137 2.232 3.279 1.011 1026 HA GLU 137 HA GLU 137 2.099 4.687 3.509 1027 HB2 GLU 137 1HB GLU 137 2.264 5.692 1.188 1028 HB3 GLU 137 2HB GLU 137 0.558 5.275 0.951 1029 HG2 GLU 137 1HG GLU 137 0.790 7.584 1.648 1030 HG3 GLU 137 2HG GLU 137 -0.048 6.659 2.910 1031 H VAL 138 H VAL 138 -0.489 3.130 1.433 1032 HA VAL 138 HA VAL 138 -2.545 3.443 3.232 1033 HB VAL 138 HB VAL 138 -2.467 2.557 0.806 1034 HG11 VAL 138 1HG1 VAL 138 -1.233 0.553 0.948 1035 HG12 VAL 138 2HG1 VAL 138 -2.365 -0.145 2.129 1036 HG13 VAL 138 3HG1 VAL 138 -2.862 0.175 0.467 1037 HG21 VAL 138 3HG2 VAL 138 -4.437 1.387 2.805 1038 HG22 VAL 138 1HG2 VAL 138 -4.496 2.983 2.009 1039 HG23 VAL 138 2HG2 VAL 138 -4.681 1.518 1.039 1040 H LEU 139 H LEU 139 -0.280 0.647 3.079 1041 HA LEU 139 HA LEU 139 -0.954 -0.843 5.266 1042 HG LEU 139 HG LEU 139 0.647 -2.736 4.622 1043 HB2 LEU 139 1HB LEU 139 1.570 -0.024 3.816 1044 HB3 LEU 139 2HB LEU 139 1.764 -0.880 5.322 1045 HD11 LEU 139 1HD1 LEU 139 -0.306 -3.143 2.322 1046 HD12 LEU 139 2HD1 LEU 139 -1.272 -2.130 3.396 1047 HD13 LEU 139 3HD1 LEU 139 -0.317 -1.414 2.096 1048 HD21 LEU 139 3HD2 LEU 139 2.976 -2.389 3.854 1049 HD22 LEU 139 1HD2 LEU 139 2.103 -3.475 2.756 1050 HD23 LEU 139 2HD2 LEU 139 2.375 -1.782 2.310 1051 H ALA 140 H ALA 140 1.034 2.126 5.354 1052 HA ALA 140 HA ALA 140 1.722 1.811 8.129 1053 HB1 ALA 140 1HB ALA 140 3.102 3.101 6.554 1054 HB2 ALA 140 2HB ALA 140 1.760 4.272 6.343 1055 HB3 ALA 140 3HB ALA 140 2.581 4.113 7.926 1056 H GLU 141 H GLU 141 -1.026 3.327 6.508 1057 HA GLU 141 HA GLU 141 -1.830 4.772 8.942 1058 HB2 GLU 141 1HB GLU 141 -1.750 5.679 6.530 1059 HB3 GLU 141 2HB GLU 141 -3.173 4.692 6.215 1060 HG2 GLU 141 1HG GLU 141 -3.739 7.087 6.614 1061 HG3 GLU 141 2HG GLU 141 -4.485 6.011 7.782 1062 H VAL 142 H VAL 142 -2.874 1.974 6.996 1063 HA VAL 142 HA VAL 142 -5.471 1.684 8.178 1064 HB VAL 142 HB VAL 142 -3.749 -0.039 6.369 1065 HG11 VAL 142 1HG1 VAL 142 -5.817 -1.384 5.892 1066 HG12 VAL 142 2HG1 VAL 142 -5.235 -1.616 7.540 1067 HG13 VAL 142 3HG1 VAL 142 -6.627 -0.567 7.230 1068 HG21 VAL 142 3HG2 VAL 142 -6.357 1.465 5.860 1069 HG22 VAL 142 1HG2 VAL 142 -4.750 2.080 5.436 1070 HG23 VAL 142 2HG2 VAL 142 -5.365 0.614 4.674 Start of MODEL 2 1 HA SER 1 HA SER 1 19.459 3.951 -6.099 2 HG SER 1 HG SER 1 16.358 4.598 -8.589 3 H1 SER 1 H SER 1 20.898 4.650 -8.009 4 HB2 SER 1 1HB SER 1 17.158 3.078 -7.083 5 HB3 SER 1 2HB SER 1 17.362 4.762 -6.584 6 HA PRO 2 HA PRO 2 20.872 -0.062 -7.233 7 HB2 PRO 2 1HB PRO 2 19.408 -1.737 -5.611 8 HB3 PRO 2 2HB PRO 2 20.691 -0.661 -4.990 9 HG2 PRO 2 1HG PRO 2 17.702 -0.226 -4.971 10 HG3 PRO 2 2HG PRO 2 18.875 0.083 -3.658 11 HD2 PRO 2 1HD PRO 2 17.926 2.027 -5.326 12 HD3 PRO 2 2HD PRO 2 19.566 2.106 -4.630 13 H GLU 3 H GLU 3 20.398 -1.106 -9.161 14 HA GLU 3 HA GLU 3 18.003 -0.689 -10.475 15 HB2 GLU 3 1HB GLU 3 19.009 -2.421 -12.027 16 HB3 GLU 3 2HB GLU 3 19.844 -0.902 -11.799 17 HG2 GLU 3 1HG GLU 3 20.723 -3.251 -10.128 18 HG3 GLU 3 2HG GLU 3 21.080 -3.267 -11.844 19 H ILE 4 H ILE 4 19.099 -4.038 -9.798 20 HA ILE 4 HA ILE 4 16.382 -4.806 -8.891 21 HB ILE 4 HB ILE 4 16.412 -6.744 -10.374 22 HG12 ILE 4 1HG1 ILE 4 18.418 -5.377 -12.172 23 HG13 ILE 4 2HG1 ILE 4 19.013 -6.414 -10.881 24 HG21 ILE 4 1HG2 ILE 4 16.444 -4.077 -11.835 25 HG22 ILE 4 2HG2 ILE 4 15.660 -5.531 -12.405 26 HG23 ILE 4 3HG2 ILE 4 15.086 -4.761 -10.904 27 HD11 ILE 4 3HD1 ILE 4 17.073 -7.287 -13.056 28 HD12 ILE 4 1HD1 ILE 4 18.786 -7.739 -12.898 29 HD13 ILE 4 2HD1 ILE 4 17.609 -8.283 -11.695 30 H MET 5 H MET 5 18.376 -4.432 -7.129 31 HA MET 5 HA MET 5 19.361 -7.132 -6.398 32 HB2 MET 5 1HB MET 5 21.563 -5.925 -5.894 33 HB3 MET 5 2HB MET 5 21.171 -6.216 -7.593 34 HG2 MET 5 1HG MET 5 20.535 -3.918 -7.948 35 HG3 MET 5 2HG MET 5 20.631 -3.556 -6.236 36 HE1 MET 5 3HE MET 5 22.711 -4.247 -9.554 37 HE2 MET 5 1HE MET 5 24.354 -4.300 -8.892 38 HE3 MET 5 2HE MET 5 23.197 -5.578 -8.487 39 H LYS 6 H LYS 6 19.188 -7.463 -4.215 40 HA LYS 6 HA LYS 6 18.072 -7.277 -2.261 41 HB2 LYS 6 1HB LYS 6 20.140 -5.106 -2.082 42 HB3 LYS 6 2HB LYS 6 19.139 -5.600 -0.709 43 HG2 LYS 6 1HG LYS 6 20.007 -7.920 -0.956 44 HG3 LYS 6 2HG LYS 6 21.119 -7.346 -2.213 45 HD2 LYS 6 1HD LYS 6 22.026 -5.653 -0.559 46 HD3 LYS 6 2HD LYS 6 20.933 -6.331 0.663 47 HE2 LYS 6 1HE LYS 6 22.175 -8.606 -0.117 48 HE3 LYS 6 2HE LYS 6 23.441 -7.462 -0.540 49 HZ1 LYS 6 3HZ LYS 6 22.170 -7.724 2.120 50 HZ2 LYS 6 1HZ LYS 6 23.648 -8.300 1.721 51 HZ3 LYS 6 2HZ LYS 6 23.408 -6.678 1.749 52 H ASN 7 H ASN 7 15.916 -6.782 -2.711 53 HA ASN 7 HA ASN 7 15.177 -3.965 -2.895 54 HB2 ASN 7 1HB ASN 7 13.354 -4.738 -4.487 55 HB3 ASN 7 2HB ASN 7 14.985 -4.537 -5.137 56 HD21 ASN 7 2HD2 ASN 7 16.111 -6.291 -5.892 57 HD22 ASN 7 1HD2 ASN 7 15.542 -7.923 -5.675 58 H LEU 8 H LEU 8 12.974 -3.702 -2.055 59 HA LEU 8 HA LEU 8 12.538 -5.512 0.132 60 HG LEU 8 HG LEU 8 10.268 -2.059 -0.141 61 HB2 LEU 8 1HB LEU 8 11.165 -4.060 1.016 62 HB3 LEU 8 2HB LEU 8 12.235 -3.046 0.080 63 HD11 LEU 8 1HD1 LEU 8 9.986 -3.885 -2.527 64 HD12 LEU 8 2HD1 LEU 8 9.247 -2.295 -2.305 65 HD13 LEU 8 3HD1 LEU 8 11.003 -2.435 -2.411 66 HD21 LEU 8 3HD2 LEU 8 8.034 -2.991 -0.139 67 HD22 LEU 8 1HD2 LEU 8 8.721 -4.630 -0.134 68 HD23 LEU 8 2HD2 LEU 8 8.981 -3.551 1.221 69 H SER 9 H SER 9 11.843 -5.935 -3.004 70 HA SER 9 HA SER 9 9.142 -6.350 -3.282 71 HG SER 9 HG SER 9 9.694 -7.190 -6.435 72 HB2 SER 9 1HB SER 9 11.358 -6.245 -4.860 73 HB3 SER 9 2HB SER 9 10.963 -7.954 -4.981 74 H ASN 10 H ASN 10 11.579 -8.809 -2.361 75 HA ASN 10 HA ASN 10 9.623 -10.976 -2.512 76 HB2 ASN 10 1HB ASN 10 12.090 -11.385 -0.881 77 HB3 ASN 10 2HB ASN 10 11.297 -12.450 -2.018 78 HD21 ASN 10 2HD2 ASN 10 13.303 -9.611 -1.691 79 HD22 ASN 10 1HD2 ASN 10 14.253 -9.704 -3.112 80 H ASN 11 H ASN 11 10.801 -8.747 -0.047 81 HA ASN 11 HA ASN 11 9.681 -10.140 2.265 82 HB2 ASN 11 1HB ASN 11 10.454 -7.208 1.961 83 HB3 ASN 11 2HB ASN 11 10.087 -8.043 3.435 84 HD21 ASN 11 2HD2 ASN 11 12.885 -6.880 1.981 85 HD22 ASN 11 1HD2 ASN 11 13.897 -8.259 2.278 86 H PHE 12 H PHE 12 8.769 -7.377 0.259 87 HA PHE 12 HA PHE 12 6.210 -6.797 0.900 88 HD1 PHE 12 HD2 PHE 12 4.564 -5.755 0.001 89 HD2 PHE 12 HD1 PHE 12 7.813 -4.524 -2.516 90 HE1 PHE 12 HE2 PHE 12 3.682 -3.401 -0.038 91 HE2 PHE 12 HE1 PHE 12 6.807 -2.252 -2.751 92 HZ PHE 12 HZ PHE 12 4.843 -1.673 -1.412 93 HB2 PHE 12 1HB PHE 12 7.953 -6.407 -1.272 94 HB3 PHE 12 2HB PHE 12 6.603 -7.197 -2.045 95 H GLY 13 H GLY 13 7.125 -9.312 -1.488 96 HA2 GLY 13 1HA GLY 13 4.546 -10.418 -1.809 97 HA3 GLY 13 2HA GLY 13 6.066 -11.231 -2.209 98 H LYS 14 H LYS 14 6.992 -10.997 0.711 99 HA LYS 14 HA LYS 14 6.040 -13.559 1.611 100 HB2 LYS 14 1HB LYS 14 8.101 -11.747 2.370 101 HB3 LYS 14 2HB LYS 14 7.061 -11.806 3.751 102 HG2 LYS 14 1HG LYS 14 7.154 -14.318 3.681 103 HG3 LYS 14 2HG LYS 14 8.364 -14.149 2.386 104 HD2 LYS 14 1HD LYS 14 9.838 -12.880 3.938 105 HD3 LYS 14 2HD LYS 14 8.580 -12.878 5.172 106 HE2 LYS 14 1HE LYS 14 10.302 -14.514 5.700 107 HE3 LYS 14 2HE LYS 14 8.735 -15.288 5.455 108 HZ1 LYS 14 3HZ LYS 14 10.554 -15.139 3.180 109 HZ2 LYS 14 1HZ LYS 14 10.878 -16.206 4.387 110 HZ3 LYS 14 2HZ LYS 14 9.426 -16.297 3.607 111 H ALA 15 H ALA 15 5.416 -10.176 2.668 112 HA ALA 15 HA ALA 15 3.617 -11.051 4.669 113 HB1 ALA 15 1HB ALA 15 4.607 -8.800 4.721 114 HB2 ALA 15 2HB ALA 15 3.768 -8.352 3.224 115 HB3 ALA 15 3HB ALA 15 2.842 -8.658 4.717 116 H MET 16 H MET 16 3.094 -10.053 1.255 117 HA MET 16 HA MET 16 0.263 -10.243 1.279 118 HB2 MET 16 1HB MET 16 2.169 -9.563 -0.651 119 HB3 MET 16 2HB MET 16 1.562 -11.072 -1.278 120 HG2 MET 16 1HG MET 16 0.294 -8.407 -1.009 121 HG3 MET 16 2HG MET 16 0.138 -9.561 -2.300 122 HE1 MET 16 3HE MET 16 -2.243 -10.704 -2.761 123 HE2 MET 16 1HE MET 16 -1.454 -11.941 -1.743 124 HE3 MET 16 2HE MET 16 -3.149 -11.497 -1.443 125 H ASP 17 H ASP 17 2.785 -12.676 0.792 126 HA ASP 17 HA ASP 17 1.190 -14.928 0.105 127 HB2 ASP 17 1HB ASP 17 3.521 -14.839 -0.419 128 HB3 ASP 17 2HB ASP 17 3.976 -14.507 1.234 129 H GLN 18 H GLN 18 2.467 -13.762 3.282 130 HA GLN 18 HA GLN 18 1.264 -15.754 4.888 131 HB2 GLN 18 1HB GLN 18 2.137 -12.917 5.420 132 HB3 GLN 18 2HB GLN 18 1.215 -13.806 6.624 133 HG2 GLN 18 1HG GLN 18 2.770 -15.393 7.000 134 HG3 GLN 18 2HG GLN 18 3.411 -15.338 5.363 135 HE21 GLN 18 2HE2 GLN 18 5.444 -14.736 5.335 136 HE22 GLN 18 1HE2 GLN 18 6.157 -13.553 6.442 137 H CYS 19 H CYS 19 -0.071 -12.637 3.691 138 HA CYS 19 HA CYS 19 -2.596 -12.903 4.995 139 HB2 CYS 19 1HB CYS 19 -1.705 -11.317 2.557 140 HB3 CYS 19 2HB CYS 19 -3.195 -11.042 3.476 141 H LYS 20 H LYS 20 -1.427 -13.706 1.668 142 HA LYS 20 HA LYS 20 -3.845 -14.894 0.714 143 HB2 LYS 20 1HB LYS 20 -1.857 -14.176 -0.673 144 HB3 LYS 20 2HB LYS 20 -0.969 -15.543 -0.040 145 HG2 LYS 20 1HG LYS 20 -2.853 -17.018 -1.117 146 HG3 LYS 20 2HG LYS 20 -3.353 -15.508 -1.848 147 HD2 LYS 20 1HD LYS 20 -1.989 -16.517 -3.482 148 HD3 LYS 20 2HD LYS 20 -0.949 -15.311 -2.723 149 HE2 LYS 20 1HE LYS 20 0.419 -17.226 -2.845 150 HE3 LYS 20 2HE LYS 20 -0.133 -17.227 -1.163 151 HZ1 LYS 20 3HZ LYS 20 -1.612 -18.983 -1.636 152 HZ2 LYS 20 1HZ LYS 20 -1.429 -18.849 -3.271 153 HZ3 LYS 20 2HZ LYS 20 -0.178 -19.366 -2.345 154 H ASP 21 H ASP 21 -1.796 -15.899 3.196 155 HA ASP 21 HA ASP 21 -2.479 -18.757 2.791 156 HB2 ASP 21 1HB ASP 21 -0.078 -18.372 3.037 157 HB3 ASP 21 2HB ASP 21 -0.331 -17.541 4.579 158 H GLU 22 H GLU 22 -2.153 -16.548 5.514 159 HA GLU 22 HA GLU 22 -3.760 -18.129 7.294 160 HB2 GLU 22 1HB GLU 22 -2.981 -15.191 7.357 161 HB3 GLU 22 2HB GLU 22 -3.654 -16.125 8.705 162 HG2 GLU 22 1HG GLU 22 -1.695 -17.712 8.434 163 HG3 GLU 22 2HG GLU 22 -0.955 -16.562 7.328 164 H LEU 23 H LEU 23 -4.442 -15.589 4.906 165 HA LEU 23 HA LEU 23 -7.307 -15.574 5.852 166 HG LEU 23 HG LEU 23 -5.129 -13.168 5.652 167 HB2 LEU 23 1HB LEU 23 -6.215 -14.020 3.518 168 HB3 LEU 23 2HB LEU 23 -7.749 -13.886 4.306 169 HD11 LEU 23 1HD1 LEU 23 -7.223 -11.338 4.405 170 HD12 LEU 23 2HD1 LEU 23 -5.753 -10.840 5.271 171 HD13 LEU 23 3HD1 LEU 23 -5.612 -11.691 3.730 172 HD21 LEU 23 3HD2 LEU 23 -6.610 -11.998 7.284 173 HD22 LEU 23 1HD2 LEU 23 -8.039 -12.652 6.445 174 HD23 LEU 23 2HD2 LEU 23 -6.898 -13.738 7.269 175 H SER 24 H SER 24 -5.248 -16.754 3.258 176 HA SER 24 HA SER 24 -5.594 -18.230 1.569 177 HG SER 24 HG SER 24 -6.107 -20.476 2.062 178 HB2 SER 24 1HB SER 24 -7.306 -19.231 3.380 179 HB3 SER 24 2HB SER 24 -8.436 -18.845 2.074 180 H LEU 25 H LEU 25 -5.734 -15.455 1.164 181 HA LEU 25 HA LEU 25 -8.026 -14.681 -0.354 182 HG LEU 25 HG LEU 25 -5.656 -12.585 1.388 183 HB2 LEU 25 1HB LEU 25 -5.158 -13.565 -0.596 184 HB3 LEU 25 2HB LEU 25 -6.556 -12.920 -1.375 185 HD11 LEU 25 1HD1 LEU 25 -5.881 -10.885 -0.425 186 HD12 LEU 25 2HD1 LEU 25 -7.634 -11.058 -0.363 187 HD13 LEU 25 3HD1 LEU 25 -6.772 -10.463 1.065 188 HD21 LEU 25 3HD2 LEU 25 -7.801 -13.874 1.923 189 HD22 LEU 25 1HD2 LEU 25 -7.954 -12.161 2.313 190 HD23 LEU 25 2HD2 LEU 25 -8.678 -12.824 0.832 191 HA PRO 26 HA PRO 26 -7.181 -17.352 -3.749 192 HB2 PRO 26 1HB PRO 26 -8.942 -16.442 -5.629 193 HB3 PRO 26 2HB PRO 26 -9.435 -17.342 -4.173 194 HG2 PRO 26 1HG PRO 26 -9.450 -14.349 -4.622 195 HG3 PRO 26 2HG PRO 26 -10.757 -15.346 -3.917 196 HD2 PRO 26 1HD PRO 26 -8.957 -13.936 -2.389 197 HD3 PRO 26 2HD PRO 26 -9.623 -15.489 -1.855 198 H ASP 27 H ASP 27 -6.128 -17.352 -5.748 199 HA ASP 27 HA ASP 27 -4.396 -15.299 -6.426 200 HB2 ASP 27 1HB ASP 27 -4.357 -17.750 -7.062 201 HB3 ASP 27 2HB ASP 27 -5.370 -17.308 -8.428 202 H SER 28 H SER 28 -7.611 -15.411 -7.039 203 HA SER 28 HA SER 28 -8.044 -13.684 -9.324 204 HG SER 28 HG SER 28 -10.475 -13.031 -9.231 205 HB2 SER 28 1HB SER 28 -9.776 -15.204 -8.578 206 HB3 SER 28 2HB SER 28 -9.702 -14.543 -6.953 207 H VAL 29 H VAL 29 -8.412 -13.238 -5.795 208 HA VAL 29 HA VAL 29 -8.446 -10.383 -5.995 209 HB VAL 29 HB VAL 29 -8.213 -12.297 -3.632 210 HG11 VAL 29 1HG1 VAL 29 -7.216 -10.141 -2.960 211 HG12 VAL 29 2HG1 VAL 29 -8.605 -9.266 -3.638 212 HG13 VAL 29 3HG1 VAL 29 -8.809 -10.322 -2.233 213 HG21 VAL 29 3HG2 VAL 29 -10.538 -10.558 -4.593 214 HG22 VAL 29 1HG2 VAL 29 -10.393 -12.281 -4.941 215 HG23 VAL 29 2HG2 VAL 29 -10.559 -11.745 -3.271 216 H VAL 30 H VAL 30 -5.866 -12.766 -5.213 217 HA VAL 30 HA VAL 30 -3.874 -10.881 -4.456 218 HB VAL 30 HB VAL 30 -3.640 -13.582 -5.790 219 HG11 VAL 30 1HG1 VAL 30 -1.450 -12.064 -4.350 220 HG12 VAL 30 2HG1 VAL 30 -1.377 -13.778 -4.812 221 HG13 VAL 30 3HG1 VAL 30 -1.501 -12.538 -6.059 222 HG21 VAL 30 3HG2 VAL 30 -4.713 -13.247 -3.301 223 HG22 VAL 30 1HG2 VAL 30 -3.814 -14.663 -3.831 224 HG23 VAL 30 2HG2 VAL 30 -3.001 -13.419 -2.880 225 H ALA 31 H ALA 31 -4.676 -12.312 -7.741 226 HA ALA 31 HA ALA 31 -2.477 -10.912 -9.003 227 HB1 ALA 31 1HB ALA 31 -3.660 -11.422 -11.121 228 HB2 ALA 31 2HB ALA 31 -3.585 -12.882 -10.110 229 HB3 ALA 31 3HB ALA 31 -5.086 -11.951 -10.217 230 H ASP 32 H ASP 32 -5.990 -10.322 -8.620 231 HA ASP 32 HA ASP 32 -6.067 -7.865 -10.009 232 HB2 ASP 32 1HB ASP 32 -7.738 -8.994 -7.748 233 HB3 ASP 32 2HB ASP 32 -8.015 -7.390 -8.377 234 H LEU 33 H LEU 33 -5.118 -8.472 -6.552 235 HA LEU 33 HA LEU 33 -4.946 -5.734 -5.909 236 HG LEU 33 HG LEU 33 -5.218 -7.034 -2.835 237 HB2 LEU 33 1HB LEU 33 -4.584 -8.181 -4.527 238 HB3 LEU 33 2HB LEU 33 -3.004 -7.511 -4.513 239 HD11 LEU 33 1HD1 LEU 33 -2.512 -5.643 -2.908 240 HD12 LEU 33 2HD1 LEU 33 -3.595 -5.740 -1.495 241 HD13 LEU 33 3HD1 LEU 33 -2.858 -7.211 -2.150 242 HD21 LEU 33 3HD2 LEU 33 -5.374 -4.606 -2.603 243 HD22 LEU 33 1HD2 LEU 33 -4.420 -4.380 -4.087 244 HD23 LEU 33 2HD2 LEU 33 -6.028 -5.149 -4.149 245 H TYR 34 H TYR 34 -2.474 -8.030 -7.118 246 HA TYR 34 HA TYR 34 -0.298 -6.155 -7.212 247 HD1 TYR 34 HD1 TYR 34 -0.675 -9.225 -6.090 248 HD2 TYR 34 HD2 TYR 34 2.433 -8.188 -8.888 249 HE1 TYR 34 HE1 TYR 34 0.956 -10.485 -4.732 250 HE2 TYR 34 HE2 TYR 34 4.075 -9.432 -7.529 251 HH TYR 34 HH TYR 34 3.129 -11.361 -4.658 252 HB2 TYR 34 1HB TYR 34 -0.995 -8.639 -8.798 253 HB3 TYR 34 2HB TYR 34 0.263 -7.579 -9.377 254 H ASN 35 H ASN 35 -3.038 -6.753 -9.416 255 HA ASN 35 HA ASN 35 -2.132 -5.035 -11.548 256 HB2 ASN 35 1HB ASN 35 -4.912 -6.083 -10.919 257 HB3 ASN 35 2HB ASN 35 -4.456 -5.275 -12.387 258 HD21 ASN 35 2HD2 ASN 35 -1.885 -7.344 -11.472 259 HD22 ASN 35 1HD2 ASN 35 -2.367 -8.691 -12.479 260 H PHE 36 H PHE 36 -3.844 -4.373 -8.565 261 HA PHE 36 HA PHE 36 -5.447 -2.262 -9.325 262 HD1 PHE 36 HD2 PHE 36 -7.521 -1.761 -7.476 263 HD2 PHE 36 HD1 PHE 36 -3.802 -0.681 -5.622 264 HE1 PHE 36 HE2 PHE 36 -8.642 0.118 -6.278 265 HE2 PHE 36 HE1 PHE 36 -4.908 1.144 -4.390 266 HZ PHE 36 HZ PHE 36 -7.349 1.451 -4.612 267 HB2 PHE 36 1HB PHE 36 -5.477 -3.423 -7.104 268 HB3 PHE 36 2HB PHE 36 -3.942 -2.698 -6.712 269 H TRP 37 H TRP 37 -2.154 -1.989 -8.037 270 HA TRP 37 HA TRP 37 -1.967 0.845 -8.658 271 HD1 TRP 37 HD1 TRP 37 -0.207 -3.019 -7.289 272 HE1 TRP 37 HE1 TRP 37 -1.067 -4.060 -5.150 273 HE3 TRP 37 HE3 TRP 37 -1.754 1.228 -4.859 274 HZ2 TRP 37 HZ2 TRP 37 -2.078 -3.173 -2.558 275 HZ3 TRP 37 HZ3 TRP 37 -2.592 1.098 -2.539 276 HH2 TRP 37 HH2 TRP 37 -2.749 -1.100 -1.389 277 HB2 TRP 37 1HB TRP 37 0.525 -0.378 -7.831 278 HB3 TRP 37 2HB TRP 37 -0.437 0.843 -7.053 279 H LYS 38 H LYS 38 -2.138 -1.351 -10.888 280 HA LYS 38 HA LYS 38 0.434 -0.772 -12.306 281 HB2 LYS 38 1HB LYS 38 -1.433 -3.124 -12.304 282 HB3 LYS 38 2HB LYS 38 -0.432 -2.790 -13.717 283 HG2 LYS 38 1HG LYS 38 1.607 -2.795 -12.411 284 HG3 LYS 38 2HG LYS 38 0.720 -3.073 -10.906 285 HD2 LYS 38 1HD LYS 38 0.459 -5.328 -11.333 286 HD3 LYS 38 2HD LYS 38 0.125 -5.056 -13.025 287 HE2 LYS 38 1HE LYS 38 2.180 -6.327 -12.782 288 HE3 LYS 38 2HE LYS 38 2.488 -4.768 -13.540 289 HZ1 LYS 38 3HZ LYS 38 4.129 -5.296 -11.917 290 HZ2 LYS 38 1HZ LYS 38 3.348 -3.958 -11.474 291 HZ3 LYS 38 2HZ LYS 38 3.048 -5.393 -10.691 292 H ASP 39 H ASP 39 -2.607 -1.886 -13.743 293 HA ASP 39 HA ASP 39 -2.344 0.183 -15.767 294 HB2 ASP 39 1HB ASP 39 -4.161 -2.199 -15.358 295 HB3 ASP 39 2HB ASP 39 -4.738 -0.870 -16.379 296 H ASP 40 H ASP 40 -5.273 -0.695 -14.001 297 HA ASP 40 HA ASP 40 -5.392 1.523 -12.313 298 HB2 ASP 40 1HB ASP 40 -5.899 2.576 -14.803 299 HB3 ASP 40 2HB ASP 40 -7.516 2.163 -14.328 300 H TYR 41 H TYR 41 -5.992 -1.338 -12.317 301 HA TYR 41 HA TYR 41 -8.747 -1.926 -12.482 302 HD1 TYR 41 HD1 TYR 41 -9.591 -4.782 -11.957 303 HD2 TYR 41 HD2 TYR 41 -7.024 -3.524 -8.769 304 HE1 TYR 41 HE1 TYR 41 -10.941 -6.105 -10.354 305 HE2 TYR 41 HE2 TYR 41 -8.372 -4.695 -7.141 306 HH TYR 41 HH TYR 41 -10.735 -7.091 -8.221 307 HB2 TYR 41 1HB TYR 41 -7.326 -3.765 -12.387 308 HB3 TYR 41 2HB TYR 41 -6.394 -3.136 -11.048 309 H VAL 42 H VAL 42 -10.374 -2.168 -10.824 310 HA VAL 42 HA VAL 42 -10.080 -0.301 -8.531 311 HB VAL 42 HB VAL 42 -12.623 -0.684 -10.148 312 HG11 VAL 42 1HG1 VAL 42 -11.898 1.395 -8.080 313 HG12 VAL 42 2HG1 VAL 42 -13.443 1.237 -8.938 314 HG13 VAL 42 3HG1 VAL 42 -12.946 -0.032 -7.812 315 HG21 VAL 42 3HG2 VAL 42 -10.648 1.627 -10.239 316 HG22 VAL 42 1HG2 VAL 42 -10.987 0.507 -11.572 317 HG23 VAL 42 2HG2 VAL 42 -12.253 1.614 -11.005 318 H MET 43 H MET 43 -10.396 -1.344 -6.714 319 HA MET 43 HA MET 43 -10.826 -4.088 -6.407 320 HB2 MET 43 1HB MET 43 -11.304 -1.755 -4.529 321 HB3 MET 43 2HB MET 43 -11.224 -3.443 -4.001 322 HG2 MET 43 1HG MET 43 -8.912 -3.592 -4.512 323 HG3 MET 43 2HG MET 43 -8.941 -2.187 -5.535 324 HE1 MET 43 3HE MET 43 -6.947 -2.897 -2.703 325 HE2 MET 43 1HE MET 43 -6.682 -2.011 -4.219 326 HE3 MET 43 2HE MET 43 -6.558 -1.154 -2.672 327 H THR 44 H THR 44 -12.696 -5.181 -6.996 328 HA THR 44 HA THR 44 -15.286 -3.995 -6.171 329 HB THR 44 HB THR 44 -16.094 -5.698 -7.959 330 HG1 THR 44 1HG THR 44 -14.482 -6.118 -9.515 331 HG21 THR 44 3HG2 THR 44 -14.445 -3.269 -8.775 332 HG22 THR 44 1HG2 THR 44 -15.687 -4.070 -9.763 333 HG23 THR 44 2HG2 THR 44 -16.142 -3.251 -8.261 334 H ASP 45 H ASP 45 -13.172 -6.411 -5.074 335 HA ASP 45 HA ASP 45 -15.515 -7.600 -3.655 336 HB2 ASP 45 1HB ASP 45 -13.565 -9.228 -4.469 337 HB3 ASP 45 2HB ASP 45 -12.669 -8.509 -3.175 338 H ARG 46 H ARG 46 -15.160 -7.722 -1.288 339 HA ARG 46 HA ARG 46 -13.795 -5.394 -0.135 340 HE ARG 46 HE ARG 46 -17.388 -7.121 2.182 341 HB2 ARG 46 1HB ARG 46 -14.330 -6.261 2.029 342 HB3 ARG 46 2HB ARG 46 -15.744 -6.102 1.024 343 HG2 ARG 46 1HG ARG 46 -14.449 -8.837 1.083 344 HG3 ARG 46 2HG ARG 46 -15.276 -8.301 2.538 345 HD2 ARG 46 1HD ARG 46 -16.592 -8.201 -0.207 346 HD3 ARG 46 2HD ARG 46 -16.677 -9.599 0.860 347 HH11 ARG 46 2HH2 ARG 46 -18.798 -9.580 -0.010 348 HH12 ARG 46 1HH2 ARG 46 -20.396 -9.356 0.647 349 HH21 ARG 46 2HH1 ARG 46 -19.399 -6.895 2.974 350 HH22 ARG 46 1HH1 ARG 46 -20.773 -7.764 2.295 351 H LEU 47 H LEU 47 -12.956 -8.861 -0.796 352 HA LEU 47 HA LEU 47 -10.993 -9.036 1.169 353 HG LEU 47 HG LEU 47 -12.817 -11.140 0.409 354 HB2 LEU 47 1HB LEU 47 -11.265 -10.445 -1.487 355 HB3 LEU 47 2HB LEU 47 -9.928 -10.766 -0.400 356 HD11 LEU 47 1HD1 LEU 47 -12.066 -12.693 -1.379 357 HD12 LEU 47 2HD1 LEU 47 -10.687 -13.182 -0.381 358 HD13 LEU 47 3HD1 LEU 47 -12.341 -13.528 0.158 359 HD21 LEU 47 3HD2 LEU 47 -11.724 -10.781 2.421 360 HD22 LEU 47 1HD2 LEU 47 -11.519 -12.520 2.235 361 HD23 LEU 47 2HD2 LEU 47 -10.182 -11.443 1.845 362 H ALA 48 H ALA 48 -10.722 -7.440 -1.981 363 HA ALA 48 HA ALA 48 -7.909 -7.250 -2.122 364 HB1 ALA 48 1HB ALA 48 -9.573 -6.408 -3.818 365 HB2 ALA 48 2HB ALA 48 -9.928 -5.046 -2.730 366 HB3 ALA 48 3HB ALA 48 -8.288 -5.255 -3.398 367 H GLY 49 H GLY 49 -10.241 -5.239 -0.260 368 HA2 GLY 49 1HA GLY 49 -8.209 -3.579 0.907 369 HA3 GLY 49 2HA GLY 49 -9.890 -3.667 1.441 370 H CYS 50 H CYS 50 -9.760 -6.648 1.825 371 HA CYS 50 HA CYS 50 -8.773 -6.755 4.499 372 HB2 CYS 50 1HB CYS 50 -9.410 -9.115 2.722 373 HB3 CYS 50 2HB CYS 50 -9.284 -9.086 4.466 374 H ALA 51 H ALA 51 -7.333 -7.992 1.400 375 HA ALA 51 HA ALA 51 -4.964 -9.032 2.454 376 HB1 ALA 51 1HB ALA 51 -4.510 -7.614 -0.077 377 HB2 ALA 51 2HB ALA 51 -4.522 -9.353 0.277 378 HB3 ALA 51 3HB ALA 51 -6.021 -8.543 -0.130 379 H ILE 52 H ILE 52 -5.652 -5.642 1.386 380 HA ILE 52 HA ILE 52 -3.163 -4.527 2.166 381 HB ILE 52 HB ILE 52 -5.928 -3.265 1.994 382 HG12 ILE 52 1HG1 ILE 52 -3.498 -3.179 0.134 383 HG13 ILE 52 2HG1 ILE 52 -4.917 -4.185 -0.123 384 HG21 ILE 52 1HG2 ILE 52 -4.456 -1.921 3.518 385 HG22 ILE 52 2HG2 ILE 52 -3.226 -1.882 2.245 386 HG23 ILE 52 3HG2 ILE 52 -4.790 -1.076 2.023 387 HD11 ILE 52 3HD1 ILE 52 -5.007 -2.227 -1.536 388 HD12 ILE 52 1HD1 ILE 52 -6.341 -2.175 -0.360 389 HD13 ILE 52 2HD1 ILE 52 -4.912 -1.135 -0.166 390 H ASN 53 H ASN 53 -6.179 -4.782 4.057 391 HA ASN 53 HA ASN 53 -5.474 -3.799 6.518 392 HB2 ASN 53 1HB ASN 53 -7.509 -5.431 5.471 393 HB3 ASN 53 2HB ASN 53 -6.819 -6.411 6.734 394 HD21 ASN 53 2HD2 ASN 53 -8.332 -3.237 5.998 395 HD22 ASN 53 1HD2 ASN 53 -8.895 -2.942 7.588 396 H CYS 54 H CYS 54 -4.650 -7.056 5.270 397 HA CYS 54 HA CYS 54 -3.305 -7.826 7.742 398 HB2 CYS 54 1HB CYS 54 -4.412 -9.522 6.598 399 HB3 CYS 54 2HB CYS 54 -3.707 -9.085 5.032 400 H LEU 55 H LEU 55 -2.209 -6.758 4.469 401 HA LEU 55 HA LEU 55 0.603 -6.964 4.916 402 HG LEU 55 HG LEU 55 -0.941 -7.398 2.499 403 HB2 LEU 55 1HB LEU 55 -1.045 -4.940 3.338 404 HB3 LEU 55 2HB LEU 55 0.707 -4.978 3.320 405 HD11 LEU 55 1HD1 LEU 55 0.134 -5.158 0.723 406 HD12 LEU 55 2HD1 LEU 55 -0.583 -6.688 0.161 407 HD13 LEU 55 3HD1 LEU 55 -1.573 -5.526 1.036 408 HD21 LEU 55 3HD2 LEU 55 1.953 -6.535 2.041 409 HD22 LEU 55 1HD2 LEU 55 1.360 -7.919 2.989 410 HD23 LEU 55 2HD2 LEU 55 1.174 -7.905 1.233 411 H ALA 56 H ALA 56 -1.739 -4.561 5.928 412 HA ALA 56 HA ALA 56 0.105 -2.540 6.822 413 HB1 ALA 56 1HB ALA 56 -1.952 -1.482 7.653 414 HB2 ALA 56 2HB ALA 56 -2.217 -2.088 6.009 415 HB3 ALA 56 3HB ALA 56 -2.854 -2.975 7.413 416 H THR 57 H THR 57 -1.056 -5.516 8.305 417 HA THR 57 HA THR 57 -0.097 -4.511 10.918 418 HB THR 57 HB THR 57 -2.402 -5.538 10.688 419 HG1 THR 57 1HG THR 57 -0.674 -6.600 12.635 420 HG21 THR 57 3HG2 THR 57 -0.786 -8.101 10.814 421 HG22 THR 57 1HG2 THR 57 -2.535 -7.938 11.137 422 HG23 THR 57 2HG2 THR 57 -1.891 -7.596 9.519 423 H LYS 58 H LYS 58 1.215 -5.673 8.153 424 HA LYS 58 HA LYS 58 3.209 -7.300 9.600 425 HB2 LYS 58 1HB LYS 58 1.682 -7.691 7.022 426 HB3 LYS 58 2HB LYS 58 3.306 -8.354 7.139 427 HG2 LYS 58 1HG LYS 58 2.739 -9.431 9.277 428 HG3 LYS 58 2HG LYS 58 1.038 -8.915 9.032 429 HD2 LYS 58 1HD LYS 58 1.356 -10.018 6.637 430 HD3 LYS 58 2HD LYS 58 2.709 -10.872 7.380 431 HE2 LYS 58 1HE LYS 58 -0.201 -10.889 8.306 432 HE3 LYS 58 2HE LYS 58 0.528 -12.102 7.286 433 HZ1 LYS 58 3HZ LYS 58 1.311 -11.536 10.068 434 HZ2 LYS 58 1HZ LYS 58 0.377 -12.778 9.544 435 HZ3 LYS 58 2HZ LYS 58 1.959 -12.743 9.122 436 H LEU 59 H LEU 59 3.335 -4.445 9.305 437 HA LEU 59 HA LEU 59 4.864 -3.784 6.981 438 HG LEU 59 HG LEU 59 3.932 -0.572 8.381 439 HB2 LEU 59 1HB LEU 59 5.278 -2.464 9.688 440 HB3 LEU 59 2HB LEU 59 5.756 -1.879 8.108 441 HD11 LEU 59 1HD1 LEU 59 3.421 -1.995 6.385 442 HD12 LEU 59 2HD1 LEU 59 2.369 -2.977 7.428 443 HD13 LEU 59 3HD1 LEU 59 2.031 -1.264 7.202 444 HD21 LEU 59 3HD2 LEU 59 2.476 -2.720 9.931 445 HD22 LEU 59 1HD2 LEU 59 3.423 -1.400 10.631 446 HD23 LEU 59 2HD2 LEU 59 1.972 -1.043 9.660 447 H ASP 60 H ASP 60 5.703 -5.421 9.910 448 HA ASP 60 HA ASP 60 8.611 -5.161 9.645 449 HB2 ASP 60 1HB ASP 60 8.447 -6.745 11.699 450 HB3 ASP 60 2HB ASP 60 7.947 -5.062 11.842 451 H VAL 61 H VAL 61 6.422 -6.834 7.941 452 HA VAL 61 HA VAL 61 8.313 -9.049 7.357 453 HB VAL 61 HB VAL 61 5.299 -9.039 7.039 454 HG11 VAL 61 1HG1 VAL 61 6.473 -10.382 5.342 455 HG12 VAL 61 2HG1 VAL 61 7.271 -11.304 6.634 456 HG13 VAL 61 3HG1 VAL 61 5.502 -11.359 6.429 457 HG21 VAL 61 3HG2 VAL 61 5.791 -9.235 9.420 458 HG22 VAL 61 1HG2 VAL 61 5.272 -10.795 8.796 459 HG23 VAL 61 2HG2 VAL 61 7.001 -10.494 9.095 460 H VAL 62 H VAL 62 5.938 -6.612 6.055 461 HA VAL 62 HA VAL 62 6.669 -6.811 3.308 462 HB VAL 62 HB VAL 62 6.001 -4.340 4.999 463 HG11 VAL 62 1HG1 VAL 62 5.896 -4.718 1.977 464 HG12 VAL 62 2HG1 VAL 62 5.246 -3.314 2.842 465 HG13 VAL 62 3HG1 VAL 62 6.976 -3.642 2.866 466 HG21 VAL 62 3HG2 VAL 62 4.007 -5.757 3.208 467 HG22 VAL 62 1HG2 VAL 62 4.159 -6.155 4.924 468 HG23 VAL 62 2HG2 VAL 62 3.739 -4.517 4.461 469 H ASP 63 H ASP 63 8.282 -5.149 6.081 470 HA ASP 63 HA ASP 63 10.736 -5.169 4.455 471 HB2 ASP 63 1HB ASP 63 9.742 -2.995 4.041 472 HB3 ASP 63 2HB ASP 63 9.634 -2.687 5.792 473 HA PRO 64 HA PRO 64 11.704 -6.430 8.760 474 HB2 PRO 64 1HB PRO 64 13.445 -8.453 8.179 475 HB3 PRO 64 2HB PRO 64 11.667 -8.660 8.161 476 HG2 PRO 64 1HG PRO 64 13.532 -8.195 5.832 477 HG3 PRO 64 2HG PRO 64 12.177 -9.359 5.962 478 HD2 PRO 64 1HD PRO 64 11.979 -6.883 4.742 479 HD3 PRO 64 2HD PRO 64 10.595 -7.715 5.522 480 H ASP 65 H ASP 65 13.330 -4.932 6.119 481 HA ASP 65 HA ASP 65 15.928 -4.515 7.277 482 HB2 ASP 65 1HB ASP 65 14.961 -3.991 4.841 483 HB3 ASP 65 2HB ASP 65 14.585 -2.428 5.568 484 H GLY 66 H GLY 66 12.726 -3.187 7.805 485 HA2 GLY 66 1HA GLY 66 12.203 -2.779 10.077 486 HA3 GLY 66 2HA GLY 66 13.806 -2.085 10.349 487 H ASN 67 H ASN 67 12.279 -1.052 7.386 488 HA ASN 67 HA ASN 67 12.328 1.642 8.477 489 HB2 ASN 67 1HB ASN 67 11.395 1.020 5.702 490 HB3 ASN 67 2HB ASN 67 12.315 2.397 6.307 491 HD21 ASN 67 2HD2 ASN 67 14.557 0.819 7.487 492 HD22 ASN 67 1HD2 ASN 67 15.328 -0.002 6.123 493 H LEU 68 H LEU 68 9.873 -0.527 7.071 494 HA LEU 68 HA LEU 68 7.724 1.413 7.071 495 HG LEU 68 HG LEU 68 5.522 -1.390 6.057 496 HB2 LEU 68 1HB LEU 68 8.221 -0.661 5.584 497 HB3 LEU 68 2HB LEU 68 7.586 -1.627 6.832 498 HD11 LEU 68 1HD1 LEU 68 4.286 0.600 5.543 499 HD12 LEU 68 2HD1 LEU 68 5.106 0.838 7.078 500 HD13 LEU 68 3HD1 LEU 68 5.752 1.606 5.611 501 HD21 LEU 68 3HD2 LEU 68 5.196 -0.771 3.782 502 HD22 LEU 68 1HD2 LEU 68 6.673 0.224 3.782 503 HD23 LEU 68 2HD2 LEU 68 6.787 -1.541 3.943 504 H HIS 69 H HIS 69 6.304 1.874 8.783 505 HA HIS 69 HA HIS 69 5.495 -0.209 10.656 506 HD1 HIS 69 HD1 HIS 69 7.141 -1.495 12.774 507 HD2 HIS 69 HD2 HIS 69 9.386 1.723 11.136 508 HE1 HIS 69 HE1 HIS 69 9.554 -2.284 12.630 509 HE2 HIS 69 HE2 HIS 69 10.916 -0.333 11.594 510 HB2 HIS 69 1HB HIS 69 6.885 2.272 11.675 511 HB3 HIS 69 2HB HIS 69 6.031 1.144 12.710 512 H HIS 70 H HIS 70 4.064 1.176 12.502 513 HA HIS 70 HA HIS 70 1.833 2.074 11.004 514 HD1 HIS 70 HD1 HIS 70 1.294 0.753 15.744 515 HD2 HIS 70 HD2 HIS 70 1.643 -0.541 11.755 516 HE1 HIS 70 HE1 HIS 70 1.257 -1.809 15.794 517 HE2 HIS 70 HE2 HIS 70 1.469 -2.600 13.386 518 HB2 HIS 70 1HB HIS 70 2.293 2.560 13.964 519 HB3 HIS 70 2HB HIS 70 0.736 2.432 13.162 520 H GLY 71 H GLY 71 1.059 3.996 10.503 521 HA2 GLY 71 1HA GLY 71 1.190 6.136 9.816 522 HA3 GLY 71 2HA GLY 71 1.700 6.542 11.458 523 H ASN 72 H ASN 72 3.727 4.299 9.540 524 HA ASN 72 HA ASN 72 5.668 6.456 9.040 525 HB2 ASN 72 1HB ASN 72 5.922 5.211 11.298 526 HB3 ASN 72 2HB ASN 72 6.321 3.827 10.344 527 HD21 ASN 72 2HD2 ASN 72 8.293 4.381 11.757 528 HD22 ASN 72 1HD2 ASN 72 9.649 5.167 10.943 529 H ALA 73 H ALA 73 4.600 5.935 6.878 530 HA ALA 73 HA ALA 73 6.192 3.900 5.453 531 HB1 ALA 73 1HB ALA 73 5.344 4.963 3.490 532 HB2 ALA 73 2HB ALA 73 3.978 4.819 4.612 533 HB3 ALA 73 3HB ALA 73 4.823 6.386 4.413 534 H LYS 74 H LYS 74 7.262 6.487 7.387 535 HA LYS 74 HA LYS 74 8.171 8.175 5.213 536 HB2 LYS 74 1HB LYS 74 7.553 8.463 8.027 537 HB3 LYS 74 2HB LYS 74 9.246 8.949 7.797 538 HG2 LYS 74 1HG LYS 74 8.634 10.532 6.074 539 HG3 LYS 74 2HG LYS 74 6.973 9.903 6.011 540 HD2 LYS 74 1HD LYS 74 6.551 10.667 8.285 541 HD3 LYS 74 2HD LYS 74 8.208 11.333 8.375 542 HE2 LYS 74 1HE LYS 74 7.692 12.722 6.338 543 HE3 LYS 74 2HE LYS 74 6.021 12.110 6.383 544 HZ1 LYS 74 3HZ LYS 74 7.310 13.590 8.593 545 HZ2 LYS 74 1HZ LYS 74 6.368 14.321 7.483 546 HZ3 LYS 74 2HZ LYS 74 5.735 13.169 8.506 547 H ASP 75 H ASP 75 9.759 6.312 7.826 548 HA ASP 75 HA ASP 75 12.426 6.721 6.935 549 HB2 ASP 75 1HB ASP 75 11.155 5.261 8.965 550 HB3 ASP 75 2HB ASP 75 11.890 4.003 8.008 551 H PHE 76 H PHE 76 9.953 4.402 5.980 552 HA PHE 76 HA PHE 76 11.462 2.739 4.223 553 HD1 PHE 76 HD2 PHE 76 10.269 0.206 3.933 554 HD2 PHE 76 HD1 PHE 76 7.663 3.136 2.028 555 HE1 PHE 76 HE2 PHE 76 9.695 -1.420 2.177 556 HE2 PHE 76 HE1 PHE 76 7.106 1.496 0.339 557 HZ PHE 76 HZ PHE 76 8.104 -0.778 0.354 558 HB2 PHE 76 1HB PHE 76 9.265 2.174 5.192 559 HB3 PHE 76 2HB PHE 76 8.504 3.467 4.302 560 H ALA 77 H ALA 77 9.389 5.608 3.473 561 HA ALA 77 HA ALA 77 9.967 5.665 0.724 562 HB1 ALA 77 1HB ALA 77 8.112 6.816 1.879 563 HB2 ALA 77 2HB ALA 77 9.252 7.948 2.633 564 HB3 ALA 77 3HB ALA 77 9.012 7.942 0.873 565 H MET 78 H MET 78 11.658 7.139 3.481 566 HA MET 78 HA MET 78 13.579 8.713 2.047 567 HB2 MET 78 1HB MET 78 13.805 7.357 4.754 568 HB3 MET 78 2HB MET 78 14.873 8.615 4.147 569 HG2 MET 78 1HG MET 78 11.921 9.184 4.175 570 HG3 MET 78 2HG MET 78 12.673 9.104 5.692 571 HE1 MET 78 3HE MET 78 12.063 12.759 5.459 572 HE2 MET 78 1HE MET 78 11.049 11.626 4.521 573 HE3 MET 78 2HE MET 78 11.635 11.172 6.131 574 H LYS 79 H LYS 79 13.592 5.357 3.205 575 HA LYS 79 HA LYS 79 16.111 4.618 2.010 576 HB2 LYS 79 1HB LYS 79 13.792 3.119 3.304 577 HB3 LYS 79 2HB LYS 79 15.172 2.262 2.695 578 HG2 LYS 79 1HG LYS 79 15.618 4.500 4.698 579 HG3 LYS 79 2HG LYS 79 14.972 2.962 5.228 580 HD2 LYS 79 1HD LYS 79 17.294 2.825 5.587 581 HD3 LYS 79 2HD LYS 79 16.967 1.795 4.184 582 HE2 LYS 79 1HE LYS 79 17.712 3.589 2.669 583 HE3 LYS 79 2HE LYS 79 17.881 4.700 4.033 584 HZ1 LYS 79 3HZ LYS 79 19.598 2.359 3.437 585 HZ2 LYS 79 1HZ LYS 79 19.974 3.953 3.479 586 HZ3 LYS 79 2HZ LYS 79 19.648 3.165 4.873 587 H HIS 80 H HIS 80 13.243 5.311 0.369 588 HA HIS 80 HA HIS 80 13.952 3.319 -1.734 589 HD1 HIS 80 HD1 HIS 80 13.201 1.021 -2.424 590 HD2 HIS 80 HD2 HIS 80 11.327 1.888 1.246 591 HE1 HIS 80 HE1 HIS 80 13.246 -1.155 -1.004 592 HE2 HIS 80 HE2 HIS 80 12.277 -0.543 1.269 593 HB2 HIS 80 1HB HIS 80 11.235 3.833 -0.544 594 HB3 HIS 80 2HB HIS 80 11.415 3.286 -2.193 595 H GLY 81 H GLY 81 13.639 6.657 -1.236 596 HA2 GLY 81 1HA GLY 81 14.610 7.644 -3.401 597 HA3 GLY 81 2HA GLY 81 13.209 6.989 -4.203 598 H ALA 82 H ALA 82 12.929 8.571 -0.996 599 HA ALA 82 HA ALA 82 11.630 10.940 -2.246 600 HB1 ALA 82 1HB ALA 82 9.825 9.425 -1.800 601 HB2 ALA 82 2HB ALA 82 10.534 8.954 -0.246 602 HB3 ALA 82 3HB ALA 82 9.845 10.551 -0.426 603 H ASP 83 H ASP 83 11.069 12.495 -0.270 604 HA ASP 83 HA ASP 83 12.925 12.272 1.971 605 HB2 ASP 83 1HB ASP 83 12.630 15.008 0.754 606 HB3 ASP 83 2HB ASP 83 13.718 14.463 2.003 607 H GLU 84 H GLU 84 12.257 14.282 3.469 608 HA GLU 84 HA GLU 84 9.713 13.895 4.527 609 HB2 GLU 84 1HB GLU 84 12.108 15.478 4.949 610 HB3 GLU 84 2HB GLU 84 10.741 16.570 5.033 611 HG2 GLU 84 1HG GLU 84 9.883 15.529 6.968 612 HG3 GLU 84 2HG GLU 84 10.494 13.946 6.544 613 H THR 85 H THR 85 10.286 15.747 1.780 614 HA THR 85 HA THR 85 7.743 17.251 2.047 615 HB THR 85 HB THR 85 9.888 16.969 -0.064 616 HG1 THR 85 1HG THR 85 10.102 19.189 0.316 617 HG21 THR 85 3HG2 THR 85 8.551 18.843 -1.216 618 HG22 THR 85 1HG2 THR 85 7.813 17.231 -1.292 619 HG23 THR 85 2HG2 THR 85 7.222 18.421 -0.114 620 H MET 86 H MET 86 9.170 14.802 -0.228 621 HA MET 86 HA MET 86 6.712 14.108 -1.456 622 HB2 MET 86 1HB MET 86 9.256 12.498 -1.100 623 HB3 MET 86 2HB MET 86 7.953 12.065 -2.192 624 HG2 MET 86 1HG MET 86 8.338 13.860 -3.620 625 HG3 MET 86 2HG MET 86 9.248 14.786 -2.430 626 HE1 MET 86 3HE MET 86 9.627 10.983 -3.689 627 HE2 MET 86 1HE MET 86 9.180 12.010 -5.064 628 HE3 MET 86 2HE MET 86 10.798 11.279 -4.992 629 H ALA 87 H ALA 87 8.425 12.629 1.318 630 HA ALA 87 HA ALA 87 6.626 10.450 1.628 631 HB1 ALA 87 1HB ALA 87 8.838 10.478 2.711 632 HB2 ALA 87 2HB ALA 87 8.325 11.782 3.794 633 HB3 ALA 87 3HB ALA 87 7.564 10.170 3.861 634 H GLN 88 H GLN 88 6.532 13.764 2.966 635 HA GLN 88 HA GLN 88 4.222 13.313 4.584 636 HB2 GLN 88 1HB GLN 88 6.020 14.881 4.997 637 HB3 GLN 88 2HB GLN 88 5.658 15.803 3.558 638 HG2 GLN 88 1HG GLN 88 3.838 15.351 5.934 639 HG3 GLN 88 2HG GLN 88 4.827 16.814 5.667 640 HE21 GLN 88 2HE2 GLN 88 1.734 16.080 5.775 641 HE22 GLN 88 1HE2 GLN 88 1.143 16.507 4.207 642 H GLN 89 H GLN 89 4.798 14.523 1.231 643 HA GLN 89 HA GLN 89 2.212 15.413 0.533 644 HB2 GLN 89 1HB GLN 89 4.128 13.824 -1.192 645 HB3 GLN 89 2HB GLN 89 2.634 14.567 -1.701 646 HG2 GLN 89 1HG GLN 89 4.023 16.649 -0.354 647 HG3 GLN 89 2HG GLN 89 5.233 15.776 -1.316 648 HE21 GLN 89 2HE2 GLN 89 5.303 16.218 -3.593 649 HE22 GLN 89 1HE2 GLN 89 3.940 16.983 -4.388 650 H LEU 90 H LEU 90 3.541 12.062 0.301 651 HA LEU 90 HA LEU 90 1.096 10.838 -0.378 652 HG LEU 90 HG LEU 90 4.383 10.495 -0.955 653 HB2 LEU 90 1HB LEU 90 3.483 9.639 1.077 654 HB3 LEU 90 2HB LEU 90 2.222 8.748 0.237 655 HD11 LEU 90 1HD1 LEU 90 3.724 7.562 -1.135 656 HD12 LEU 90 2HD1 LEU 90 4.866 8.415 -2.246 657 HD13 LEU 90 3HD1 LEU 90 5.160 8.317 -0.516 658 HD21 LEU 90 3HD2 LEU 90 2.543 11.170 -2.248 659 HD22 LEU 90 1HD2 LEU 90 3.447 10.021 -3.209 660 HD23 LEU 90 2HD2 LEU 90 1.924 9.514 -2.411 661 H VAL 91 H VAL 91 2.510 11.382 2.920 662 HA VAL 91 HA VAL 91 0.532 10.005 4.359 663 HB VAL 91 HB VAL 91 2.656 11.764 5.020 664 HG11 VAL 91 1HG1 VAL 91 1.105 13.698 5.363 665 HG12 VAL 91 2HG1 VAL 91 0.097 12.678 6.423 666 HG13 VAL 91 3HG1 VAL 91 1.760 13.119 6.884 667 HG21 VAL 91 3HG2 VAL 91 2.321 10.933 7.263 668 HG22 VAL 91 1HG2 VAL 91 0.671 10.383 6.853 669 HG23 VAL 91 2HG2 VAL 91 2.083 9.617 6.093 670 H ASP 92 H ASP 92 0.521 13.351 3.086 671 HA ASP 92 HA ASP 92 -2.019 13.912 4.244 672 HB2 ASP 92 1HB ASP 92 -0.094 15.481 3.461 673 HB3 ASP 92 2HB ASP 92 -0.904 15.430 1.899 674 H ILE 93 H ILE 93 -1.136 12.423 1.169 675 HA ILE 93 HA ILE 93 -3.775 12.661 0.017 676 HB ILE 93 HB ILE 93 -1.763 10.431 -0.517 677 HG12 ILE 93 1HG1 ILE 93 -2.094 13.191 -1.721 678 HG13 ILE 93 2HG1 ILE 93 -0.635 12.388 -1.120 679 HG21 ILE 93 1HG2 ILE 93 -3.128 10.183 -2.624 680 HG22 ILE 93 2HG2 ILE 93 -4.096 9.921 -1.182 681 HG23 ILE 93 3HG2 ILE 93 -4.186 11.479 -2.010 682 HD11 ILE 93 3HD1 ILE 93 -2.054 11.781 -3.723 683 HD12 ILE 93 1HD1 ILE 93 -0.513 12.572 -3.476 684 HD13 ILE 93 2HD1 ILE 93 -0.680 10.848 -3.056 685 H ILE 94 H ILE 94 -2.291 10.347 2.311 686 HA ILE 94 HA ILE 94 -4.657 8.579 2.058 687 HB ILE 94 HB ILE 94 -2.402 7.597 2.372 688 HG12 ILE 94 1HG1 ILE 94 -3.389 6.026 4.291 689 HG13 ILE 94 2HG1 ILE 94 -4.878 6.924 3.966 690 HG21 ILE 94 1HG2 ILE 94 -2.603 8.585 5.227 691 HG22 ILE 94 2HG2 ILE 94 -1.506 7.326 4.644 692 HG23 ILE 94 3HG2 ILE 94 -1.360 8.949 4.006 693 HD11 ILE 94 3HD1 ILE 94 -4.706 4.884 2.666 694 HD12 ILE 94 1HD1 ILE 94 -4.664 6.272 1.562 695 HD13 ILE 94 2HD1 ILE 94 -3.162 5.394 1.956 696 H HIS 95 H HIS 95 -3.384 11.016 4.333 697 HA HIS 95 HA HIS 95 -5.587 10.758 6.172 698 HD1 HIS 95 HD1 HIS 95 -2.183 13.500 7.865 699 HD2 HIS 95 HD2 HIS 95 -3.692 9.687 6.925 700 HE1 HIS 95 HE1 HIS 95 -0.875 11.788 9.294 701 HE2 HIS 95 HE2 HIS 95 -1.904 9.405 8.655 702 HB2 HIS 95 1HB HIS 95 -3.791 13.126 5.491 703 HB3 HIS 95 2HB HIS 95 -4.950 13.102 6.810 704 H GLY 96 H GLY 96 -5.111 12.634 3.165 705 HA2 GLY 96 1HA GLY 96 -7.516 14.143 3.295 706 HA3 GLY 96 2HA GLY 96 -6.635 13.680 1.832 707 H CYS 97 H CYS 97 -6.768 11.031 1.729 708 HA CYS 97 HA CYS 97 -9.414 10.546 0.814 709 HB2 CYS 97 1HB CYS 97 -6.875 8.926 1.056 710 HB3 CYS 97 2HB CYS 97 -8.366 8.208 0.462 711 H GLU 98 H GLU 98 -7.710 9.452 3.799 712 HA GLU 98 HA GLU 98 -9.680 7.560 4.449 713 HB2 GLU 98 1HB GLU 98 -8.647 7.121 6.381 714 HB3 GLU 98 2HB GLU 98 -7.295 7.696 5.408 715 HG2 GLU 98 1HG GLU 98 -7.603 9.952 6.466 716 HG3 GLU 98 2HG GLU 98 -8.898 9.191 7.404 717 H LYS 99 H LYS 99 -9.328 11.010 5.196 718 HA LYS 99 HA LYS 99 -11.811 11.376 6.618 719 HB2 LYS 99 1HB LYS 99 -9.822 13.155 5.227 720 HB3 LYS 99 2HB LYS 99 -11.458 13.761 5.374 721 HG2 LYS 99 1HG LYS 99 -10.247 14.621 7.162 722 HG3 LYS 99 2HG LYS 99 -11.413 13.493 7.823 723 HD2 LYS 99 1HD LYS 99 -8.483 12.765 7.382 724 HD3 LYS 99 2HD LYS 99 -9.040 13.621 8.814 725 HE2 LYS 99 1HE LYS 99 -10.640 11.763 9.307 726 HE3 LYS 99 2HE LYS 99 -9.982 10.864 7.946 727 HZ1 LYS 99 3HZ LYS 99 -7.807 10.936 9.091 728 HZ2 LYS 99 1HZ LYS 99 -8.458 11.707 10.351 729 HZ3 LYS 99 2HZ LYS 99 -8.958 10.193 10.010 730 H SER 100 H SER 100 -11.054 11.754 3.047 731 HA SER 100 HA SER 100 -13.692 12.508 2.395 732 HG SER 100 HG SER 100 -13.057 13.751 0.719 733 HB2 SER 100 1HB SER 100 -11.210 11.606 0.951 734 HB3 SER 100 2HB SER 100 -12.724 11.583 0.069 735 H ALA 101 H ALA 101 -12.521 9.317 3.164 736 HA ALA 101 HA ALA 101 -14.111 7.798 1.539 737 HB1 ALA 101 1HB ALA 101 -13.465 7.165 4.437 738 HB2 ALA 101 2HB ALA 101 -13.874 6.011 3.125 739 HB3 ALA 101 3HB ALA 101 -12.377 6.949 3.045 740 HA PRO 102 HA PRO 102 -18.192 8.973 2.772 741 HB2 PRO 102 1HB PRO 102 -19.666 6.930 1.686 742 HB3 PRO 102 2HB PRO 102 -18.854 8.184 0.708 743 HG2 PRO 102 1HG PRO 102 -17.862 5.391 1.348 744 HG3 PRO 102 2HG PRO 102 -17.899 6.218 -0.247 745 HD2 PRO 102 1HD PRO 102 -15.667 6.121 1.323 746 HD3 PRO 102 2HD PRO 102 -16.023 7.551 0.313 747 HA PRO 103 HA PRO 103 -19.014 6.832 6.520 748 HB2 PRO 103 1HB PRO 103 -21.698 6.831 6.903 749 HB3 PRO 103 2HB PRO 103 -20.707 8.312 6.971 750 HG2 PRO 103 1HG PRO 103 -22.340 7.285 4.634 751 HG3 PRO 103 2HG PRO 103 -22.270 8.948 5.282 752 HD2 PRO 103 1HD PRO 103 -20.802 8.188 3.118 753 HD3 PRO 103 2HD PRO 103 -20.149 9.339 4.321 754 H ASN 104 H ASN 104 -18.143 4.921 5.718 755 HA ASN 104 HA ASN 104 -19.934 2.646 6.131 756 HB2 ASN 104 1HB ASN 104 -19.910 2.760 3.659 757 HB3 ASN 104 2HB ASN 104 -18.130 2.708 3.685 758 HD21 ASN 104 2HD2 ASN 104 -17.785 0.604 2.751 759 HD22 ASN 104 1HD2 ASN 104 -18.439 -0.849 3.543 760 H ASP 105 H ASP 105 -18.668 2.994 8.156 761 HA ASP 105 HA ASP 105 -15.789 2.590 8.097 762 HB2 ASP 105 1HB ASP 105 -17.725 2.517 10.434 763 HB3 ASP 105 2HB ASP 105 -15.955 2.364 10.513 764 H ASP 106 H ASP 106 -15.414 0.771 7.078 765 HA ASP 106 HA ASP 106 -15.713 -1.926 8.352 766 HB2 ASP 106 1HB ASP 106 -17.345 -1.411 6.034 767 HB3 ASP 106 2HB ASP 106 -15.779 -1.257 5.402 768 H LYS 107 H LYS 107 -14.149 -3.206 7.994 769 HA LYS 107 HA LYS 107 -11.858 -1.628 8.246 770 HB2 LYS 107 2HB LYS 107 -11.261 -3.293 9.404 771 HB3 LYS 107 1HB LYS 107 -12.922 -3.539 9.558 772 HG2 LYS 107 1HG LYS 107 -12.838 -5.205 7.789 773 HG3 LYS 107 2HG LYS 107 -11.060 -5.188 7.836 774 HD2 LYS 107 1HD LYS 107 -11.057 -5.687 10.216 775 HD3 LYS 107 2HD LYS 107 -12.820 -5.642 10.280 776 HE2 LYS 107 1HE LYS 107 -13.061 -7.651 9.052 777 HE3 LYS 107 2HE LYS 107 -11.334 -7.677 8.607 778 HZ1 LYS 107 3HZ LYS 107 -11.891 -9.146 10.497 779 HZ2 LYS 107 1HZ LYS 107 -10.759 -7.998 10.873 780 HZ3 LYS 107 2HZ LYS 107 -12.305 -7.822 11.395 781 H CYS 108 H CYS 108 -13.044 -4.005 6.020 782 HA CYS 108 HA CYS 108 -10.641 -3.692 4.382 783 HB2 CYS 108 1HB CYS 108 -13.129 -5.288 3.670 784 HB3 CYS 108 2HB CYS 108 -11.535 -5.352 2.918 785 H MET 109 H MET 109 -14.149 -2.878 4.379 786 HA MET 109 HA MET 109 -13.994 -2.020 1.655 787 HB2 MET 109 1HB MET 109 -16.279 -1.638 3.559 788 HB3 MET 109 2HB MET 109 -16.354 -1.363 1.885 789 HG2 MET 109 1HG MET 109 -15.276 -4.020 2.270 790 HG3 MET 109 2HG MET 109 -16.665 -3.837 3.318 791 HE1 MET 109 3HE MET 109 -15.339 -3.044 -0.096 792 HE2 MET 109 1HE MET 109 -16.726 -3.185 -1.220 793 HE3 MET 109 2HE MET 109 -16.618 -1.816 -0.085 794 H LYS 110 H LYS 110 -13.922 -0.103 4.744 795 HA LYS 110 HA LYS 110 -14.209 2.445 3.376 796 HB2 LYS 110 1HB LYS 110 -14.394 2.200 5.903 797 HB3 LYS 110 2HB LYS 110 -12.657 1.845 5.933 798 HG2 LYS 110 1HG LYS 110 -12.584 4.159 4.528 799 HG3 LYS 110 2HG LYS 110 -14.087 4.432 5.386 800 HD2 LYS 110 1HD LYS 110 -11.426 3.725 6.717 801 HD3 LYS 110 2HD LYS 110 -11.975 5.375 6.406 802 HE2 LYS 110 1HE LYS 110 -13.968 5.010 7.831 803 HE3 LYS 110 2HE LYS 110 -13.410 3.375 8.218 804 HZ1 LYS 110 3HZ LYS 110 -12.801 5.025 9.885 805 HZ2 LYS 110 1HZ LYS 110 -11.453 4.345 9.270 806 HZ3 LYS 110 2HZ LYS 110 -11.921 5.876 8.830 807 H THR 111 H THR 111 -11.512 0.309 4.370 808 HA THR 111 HA THR 111 -9.438 1.944 3.378 809 HB THR 111 HB THR 111 -9.614 -1.042 3.870 810 HG1 THR 111 1HG THR 111 -8.610 1.212 5.296 811 HG21 THR 111 3HG2 THR 111 -7.134 -1.044 4.005 812 HG22 THR 111 1HG2 THR 111 -7.728 -0.801 2.354 813 HG23 THR 111 2HG2 THR 111 -7.120 0.587 3.284 814 H ILE 112 H ILE 112 -11.480 -0.285 1.553 815 HA ILE 112 HA ILE 112 -9.905 -0.262 -0.813 816 HB ILE 112 HB ILE 112 -12.775 -0.828 -0.083 817 HG12 ILE 112 1HG1 ILE 112 -10.868 -2.466 -1.775 818 HG13 ILE 112 2HG1 ILE 112 -10.646 -2.363 -0.037 819 HG21 ILE 112 1HG2 ILE 112 -13.264 -1.385 -2.525 820 HG22 ILE 112 2HG2 ILE 112 -13.241 0.327 -2.116 821 HG23 ILE 112 3HG2 ILE 112 -11.844 -0.386 -2.931 822 HD11 ILE 112 3HD1 ILE 112 -11.909 -4.341 -0.788 823 HD12 ILE 112 1HD1 ILE 112 -12.807 -3.348 0.372 824 HD13 ILE 112 2HD1 ILE 112 -13.214 -3.289 -1.357 825 H ASP 113 H ASP 113 -12.480 2.013 0.315 826 HA ASP 113 HA ASP 113 -12.418 3.634 -2.030 827 HB2 ASP 113 1HB ASP 113 -14.269 3.761 -0.340 828 HB3 ASP 113 2HB ASP 113 -13.114 4.465 0.783 829 H VAL 114 H VAL 114 -10.829 3.918 1.192 830 HA VAL 114 HA VAL 114 -9.419 6.265 0.665 831 HB VAL 114 HB VAL 114 -8.553 3.988 2.507 832 HG11 VAL 114 1HG1 VAL 114 -7.704 5.949 3.964 833 HG12 VAL 114 2HG1 VAL 114 -6.797 5.680 2.453 834 HG13 VAL 114 3HG1 VAL 114 -7.965 6.989 2.583 835 HG21 VAL 114 3HG2 VAL 114 -10.907 4.688 2.961 836 HG22 VAL 114 1HG2 VAL 114 -9.850 5.237 4.248 837 HG23 VAL 114 2HG2 VAL 114 -10.385 6.354 2.957 838 H ALA 115 H ALA 115 -8.427 2.877 -0.042 839 HA ALA 115 HA ALA 115 -5.871 3.504 -1.111 840 HB1 ALA 115 1HB ALA 115 -5.974 1.257 -2.089 841 HB2 ALA 115 2HB ALA 115 -6.564 1.231 -0.415 842 HB3 ALA 115 3HB ALA 115 -7.718 1.167 -1.764 843 H MET 116 H MET 116 -9.094 3.206 -2.795 844 HA MET 116 HA MET 116 -7.795 3.698 -5.370 845 HB2 MET 116 1HB MET 116 -9.987 3.782 -6.353 846 HB3 MET 116 2HB MET 116 -9.777 2.343 -5.364 847 HG2 MET 116 1HG MET 116 -11.200 3.226 -3.650 848 HG3 MET 116 2HG MET 116 -11.254 4.813 -4.349 849 HE1 MET 116 3HE MET 116 -13.475 1.063 -5.884 850 HE2 MET 116 1HE MET 116 -11.711 1.115 -5.818 851 HE3 MET 116 2HE MET 116 -12.658 1.223 -4.314 852 H CYS 117 H CYS 117 -9.432 5.697 -2.964 853 HA CYS 117 HA CYS 117 -9.524 8.125 -4.408 854 HB2 CYS 117 1HB CYS 117 -10.717 7.879 -2.351 855 HB3 CYS 117 2HB CYS 117 -9.252 7.484 -1.464 856 H PHE 118 H PHE 118 -6.898 6.498 -2.539 857 HA PHE 118 HA PHE 118 -5.097 8.587 -2.519 858 HD1 PHE 118 HD2 PHE 118 -2.186 6.338 -3.917 859 HD2 PHE 118 HD1 PHE 118 -3.400 7.648 0.035 860 HE1 PHE 118 HE2 PHE 118 0.167 6.795 -3.280 861 HE2 PHE 118 HE1 PHE 118 -1.050 8.209 0.554 862 HZ PHE 118 HZ PHE 118 0.715 7.853 -1.210 863 HB2 PHE 118 1HB PHE 118 -4.916 6.394 -1.313 864 HB3 PHE 118 2HB PHE 118 -4.407 5.638 -2.807 865 H LYS 119 H LYS 119 -4.989 5.893 -4.911 866 HA LYS 119 HA LYS 119 -3.332 7.306 -6.749 867 HB2 LYS 119 1HB LYS 119 -3.982 5.576 -8.416 868 HB3 LYS 119 2HB LYS 119 -3.325 4.974 -6.894 869 HG2 LYS 119 1HG LYS 119 -5.122 3.734 -6.509 870 HG3 LYS 119 2HG LYS 119 -6.073 5.200 -6.483 871 HD2 LYS 119 1HD LYS 119 -7.280 4.397 -8.072 872 HD3 LYS 119 2HD LYS 119 -5.976 4.780 -9.188 873 HE2 LYS 119 1HE LYS 119 -5.132 2.486 -9.082 874 HE3 LYS 119 2HE LYS 119 -6.199 2.116 -7.712 875 HZ1 LYS 119 3HZ LYS 119 -7.068 2.690 -10.474 876 HZ2 LYS 119 1HZ LYS 119 -7.209 1.240 -9.667 877 HZ3 LYS 119 2HZ LYS 119 -8.088 2.555 -9.226 878 H LYS 120 H LYS 120 -6.830 7.628 -6.315 879 HA LYS 120 HA LYS 120 -7.184 9.032 -8.755 880 HB2 LYS 120 1HB LYS 120 -8.679 9.047 -6.177 881 HB3 LYS 120 2HB LYS 120 -9.019 10.278 -7.377 882 HG2 LYS 120 1HG LYS 120 -9.730 8.740 -8.990 883 HG3 LYS 120 2HG LYS 120 -8.883 7.386 -8.245 884 HD2 LYS 120 1HD LYS 120 -11.298 7.216 -7.981 885 HD3 LYS 120 2HD LYS 120 -10.433 7.268 -6.437 886 HE2 LYS 120 1HE LYS 120 -11.027 9.642 -6.139 887 HE3 LYS 120 2HE LYS 120 -11.801 9.663 -7.724 888 HZ1 LYS 120 3HZ LYS 120 -13.457 8.092 -6.850 889 HZ2 LYS 120 1HZ LYS 120 -12.757 8.145 -5.351 890 HZ3 LYS 120 2HZ LYS 120 -13.399 9.483 -5.994 891 H GLU 121 H GLU 121 -6.037 10.120 -5.491 892 HA GLU 121 HA GLU 121 -5.714 12.953 -6.197 893 HB2 GLU 121 1HB GLU 121 -5.367 11.161 -3.814 894 HB3 GLU 121 2HB GLU 121 -4.556 12.726 -3.838 895 HG2 GLU 121 1HG GLU 121 -7.551 12.448 -4.255 896 HG3 GLU 121 2HG GLU 121 -6.808 12.597 -2.660 897 H ILE 122 H ILE 122 -3.804 10.042 -6.632 898 HA ILE 122 HA ILE 122 -1.285 11.301 -6.456 899 HB ILE 122 HB ILE 122 -2.301 8.911 -8.010 900 HG12 ILE 122 1HG1 ILE 122 -0.504 9.370 -5.583 901 HG13 ILE 122 2HG1 ILE 122 -2.101 8.760 -5.540 902 HG21 ILE 122 1HG2 ILE 122 -0.419 9.838 -9.329 903 HG22 ILE 122 2HG2 ILE 122 0.611 9.706 -7.869 904 HG23 ILE 122 3HG2 ILE 122 -0.105 8.257 -8.611 905 HD11 ILE 122 3HD1 ILE 122 -1.455 6.621 -6.553 906 HD12 ILE 122 1HD1 ILE 122 0.214 7.215 -6.761 907 HD13 ILE 122 2HD1 ILE 122 -0.440 7.019 -5.169 908 H HIS 123 H HIS 123 -3.831 11.707 -8.804 909 HA HIS 123 HA HIS 123 -2.372 12.978 -10.885 910 HD1 HIS 123 HD1 HIS 123 -3.804 12.949 -13.466 911 HD2 HIS 123 HD2 HIS 123 -5.324 10.300 -10.543 912 HE1 HIS 123 HE1 HIS 123 -4.173 10.667 -14.650 913 HE2 HIS 123 HE2 HIS 123 -5.149 9.092 -12.882 914 HB2 HIS 123 1HB HIS 123 -5.261 13.026 -9.954 915 HB3 HIS 123 2HB HIS 123 -4.721 14.058 -11.248 916 H LYS 124 H LYS 124 -2.686 14.186 -7.652 917 HA LYS 124 HA LYS 124 -2.148 16.930 -8.725 918 HB2 LYS 124 1HB LYS 124 -3.199 17.832 -6.696 919 HB3 LYS 124 2HB LYS 124 -4.264 17.030 -7.821 920 HG2 LYS 124 1HG LYS 124 -5.060 16.376 -5.775 921 HG3 LYS 124 2HG LYS 124 -4.199 14.988 -6.382 922 HD2 LYS 124 1HD LYS 124 -3.709 15.053 -4.123 923 HD3 LYS 124 2HD LYS 124 -2.241 15.698 -4.837 924 HE2 LYS 124 1HE LYS 124 -4.506 17.564 -4.057 925 HE3 LYS 124 2HE LYS 124 -3.547 16.823 -2.778 926 HZ1 LYS 124 3HZ LYS 124 -2.506 18.649 -4.863 927 HZ2 LYS 124 1HZ LYS 124 -2.510 18.834 -3.216 928 HZ3 LYS 124 2HZ LYS 124 -1.550 17.708 -3.918 929 H LEU 125 H LEU 125 -0.447 14.513 -8.003 930 HA LEU 125 HA LEU 125 1.536 15.966 -6.313 931 HG LEU 125 HG LEU 125 0.167 13.571 -5.451 932 HB2 LEU 125 1HB LEU 125 1.512 13.247 -7.682 933 HB3 LEU 125 2HB LEU 125 2.866 13.863 -6.781 934 HD11 LEU 125 1HD1 LEU 125 0.787 11.499 -6.463 935 HD12 LEU 125 2HD1 LEU 125 2.443 11.600 -5.806 936 HD13 LEU 125 3HD1 LEU 125 1.026 11.365 -4.716 937 HD21 LEU 125 3HD2 LEU 125 1.523 13.492 -3.405 938 HD22 LEU 125 1HD2 LEU 125 3.022 13.580 -4.339 939 HD23 LEU 125 2HD2 LEU 125 1.906 14.968 -4.291 940 H ASN 126 H ASN 126 0.935 14.728 -9.606 941 HA ASN 126 HA ASN 126 1.617 15.334 -11.632 942 HB2 ASN 126 1HB ASN 126 3.651 17.322 -10.712 943 HB3 ASN 126 2HB ASN 126 2.755 17.240 -12.224 944 HD21 ASN 126 2HD2 ASN 126 0.091 16.925 -10.856 945 HD22 ASN 126 1HD2 ASN 126 -0.115 18.330 -9.794 946 H TRP 127 H TRP 127 3.564 14.158 -9.252 947 HA TRP 127 HA TRP 127 5.405 12.939 -11.263 948 HD1 TRP 127 HD1 TRP 127 4.974 15.037 -7.609 949 HE1 TRP 127 HE1 TRP 127 4.975 14.560 -5.119 950 HE3 TRP 127 HE3 TRP 127 7.230 10.440 -7.670 951 HZ2 TRP 127 HZ2 TRP 127 5.560 12.357 -3.381 952 HZ3 TRP 127 HZ3 TRP 127 7.635 9.256 -5.534 953 HH2 TRP 127 HH2 TRP 127 6.729 10.161 -3.383 954 HB2 TRP 127 1HB TRP 127 6.837 12.205 -9.459 955 HB3 TRP 127 2HB TRP 127 6.724 13.942 -9.543 956 H VAL 128 H VAL 128 5.857 10.621 -10.691 957 HA VAL 128 HA VAL 128 3.348 9.144 -10.052 958 HB VAL 128 HB VAL 128 5.528 8.602 -12.089 959 HG11 VAL 128 1HG1 VAL 128 3.325 6.743 -11.106 960 HG12 VAL 128 2HG1 VAL 128 4.247 6.498 -12.613 961 HG13 VAL 128 3HG1 VAL 128 5.072 6.453 -11.057 962 HG21 VAL 128 3HG2 VAL 128 2.499 8.917 -12.337 963 HG22 VAL 128 1HG2 VAL 128 3.714 10.112 -12.847 964 HG23 VAL 128 2HG2 VAL 128 3.605 8.552 -13.664 965 HA PRO 129 HA PRO 129 6.409 7.901 -6.911 966 HB2 PRO 129 1HB PRO 129 4.585 6.661 -5.194 967 HB3 PRO 129 2HB PRO 129 5.066 8.375 -5.140 968 HG2 PRO 129 1HG PRO 129 2.610 7.140 -6.332 969 HG3 PRO 129 2HG PRO 129 2.785 8.709 -5.480 970 HD2 PRO 129 1HD PRO 129 2.608 8.398 -8.218 971 HD3 PRO 129 2HD PRO 129 3.494 9.755 -7.451 972 H ASN 130 H ASN 130 7.192 5.938 -6.113 973 HA ASN 130 HA ASN 130 7.235 3.733 -7.926 974 HB2 ASN 130 1HB ASN 130 8.117 4.049 -5.036 975 HB3 ASN 130 2HB ASN 130 8.497 2.634 -6.030 976 HD21 ASN 130 2HD2 ASN 130 10.219 4.786 -4.717 977 HD22 ASN 130 1HD2 ASN 130 11.262 5.385 -5.998 978 H MET 131 H MET 131 6.696 1.459 -7.353 979 HA MET 131 HA MET 131 4.084 1.071 -6.243 980 HB2 MET 131 1HB MET 131 6.377 -0.892 -6.642 981 HB3 MET 131 2HB MET 131 4.725 -1.361 -6.252 982 HG2 MET 131 1HG MET 131 5.499 0.198 -8.751 983 HG3 MET 131 2HG MET 131 5.381 -1.551 -8.679 984 HE1 MET 131 3HE MET 131 1.656 -2.354 -8.518 985 HE2 MET 131 1HE MET 131 3.312 -2.956 -8.637 986 HE3 MET 131 2HE MET 131 2.712 -2.307 -7.100 987 H ASP 132 H ASP 132 7.331 1.015 -4.796 988 HA ASP 132 HA ASP 132 6.577 -0.062 -2.222 989 HB2 ASP 132 1HB ASP 132 8.611 1.239 -1.402 990 HB3 ASP 132 2HB ASP 132 8.854 -0.017 -2.588 991 H LEU 133 H LEU 133 7.322 3.315 -3.002 992 HA LEU 133 HA LEU 133 6.151 4.589 -1.033 993 HG LEU 133 HG LEU 133 6.862 7.403 -2.088 994 HB2 LEU 133 1HB LEU 133 6.455 5.200 -3.944 995 HB3 LEU 133 2HB LEU 133 5.351 6.241 -3.111 996 HD11 LEU 133 1HD1 LEU 133 9.065 6.718 -1.210 997 HD12 LEU 133 2HD1 LEU 133 7.654 5.993 -0.434 998 HD13 LEU 133 3HD1 LEU 133 8.638 5.033 -1.581 999 HD21 LEU 133 3HD2 LEU 133 8.806 6.139 -4.016 1000 HD22 LEU 133 1HD2 LEU 133 7.547 7.310 -4.475 1001 HD23 LEU 133 2HD2 LEU 133 8.841 7.794 -3.375 1002 H VAL 134 H VAL 134 4.137 3.592 -3.889 1003 HA VAL 134 HA VAL 134 1.739 4.831 -2.924 1004 HB VAL 134 HB VAL 134 2.140 2.521 -4.866 1005 HG11 VAL 134 1HG1 VAL 134 -0.158 3.057 -5.663 1006 HG12 VAL 134 2HG1 VAL 134 -0.167 2.504 -3.979 1007 HG13 VAL 134 3HG1 VAL 134 -0.344 4.226 -4.335 1008 HG21 VAL 134 3HG2 VAL 134 1.765 4.217 -6.603 1009 HG22 VAL 134 1HG2 VAL 134 1.503 5.462 -5.363 1010 HG23 VAL 134 2HG2 VAL 134 3.104 4.750 -5.587 1011 H ILE 135 H ILE 135 2.930 1.469 -2.564 1012 HA ILE 135 HA ILE 135 0.480 0.712 -1.197 1013 HB ILE 135 HB ILE 135 3.091 -0.730 -1.655 1014 HG12 ILE 135 1HG1 ILE 135 0.489 -0.966 -3.165 1015 HG13 ILE 135 2HG1 ILE 135 1.862 -0.065 -3.762 1016 HG21 ILE 135 1HG2 ILE 135 1.857 -1.776 0.187 1017 HG22 ILE 135 2HG2 ILE 135 0.373 -1.818 -0.792 1018 HG23 ILE 135 3HG2 ILE 135 1.772 -2.826 -1.214 1019 HD11 ILE 135 3HD1 ILE 135 1.708 -3.071 -3.417 1020 HD12 ILE 135 1HD1 ILE 135 1.910 -2.129 -4.898 1021 HD13 ILE 135 2HD1 ILE 135 3.230 -2.191 -3.714 1022 H GLY 136 H GLY 136 3.820 1.556 -0.290 1023 HA2 GLY 136 1HA GLY 136 3.883 0.822 2.407 1024 HA3 GLY 136 2HA GLY 136 4.739 2.207 1.708 1025 H GLU 137 H GLU 137 2.317 3.720 0.938 1026 HA GLU 137 HA GLU 137 2.005 4.978 3.493 1027 HB2 GLU 137 1HB GLU 137 1.897 5.907 0.941 1028 HB3 GLU 137 2HB GLU 137 0.170 5.713 1.228 1029 HG2 GLU 137 1HG GLU 137 0.828 7.941 1.884 1030 HG3 GLU 137 2HG GLU 137 0.410 7.051 3.342 1031 H VAL 138 H VAL 138 -0.381 3.195 1.380 1032 HA VAL 138 HA VAL 138 -2.496 3.425 3.188 1033 HB VAL 138 HB VAL 138 -2.423 2.746 0.738 1034 HG11 VAL 138 1HG1 VAL 138 -2.013 -0.054 1.757 1035 HG12 VAL 138 2HG1 VAL 138 -2.692 0.385 0.182 1036 HG13 VAL 138 3HG1 VAL 138 -1.056 0.857 0.558 1037 HG21 VAL 138 3HG2 VAL 138 -4.210 1.191 2.603 1038 HG22 VAL 138 1HG2 VAL 138 -4.451 2.859 2.066 1039 HG23 VAL 138 2HG2 VAL 138 -4.545 1.550 0.888 1040 H LEU 139 H LEU 139 -0.144 0.743 2.833 1041 HA LEU 139 HA LEU 139 -0.705 -0.847 4.973 1042 HG LEU 139 HG LEU 139 0.780 -2.655 4.346 1043 HB2 LEU 139 1HB LEU 139 1.779 0.043 3.513 1044 HB3 LEU 139 2HB LEU 139 2.011 -0.791 5.010 1045 HD11 LEU 139 1HD1 LEU 139 -0.040 -3.071 2.024 1046 HD12 LEU 139 2HD1 LEU 139 -0.996 -1.936 2.986 1047 HD13 LEU 139 3HD1 LEU 139 0.095 -1.338 1.731 1048 HD21 LEU 139 3HD2 LEU 139 2.334 -3.481 2.550 1049 HD22 LEU 139 1HD2 LEU 139 2.774 -1.789 2.207 1050 HD23 LEU 139 2HD2 LEU 139 3.162 -2.499 3.771 1051 H ALA 140 H ALA 140 1.276 2.158 5.186 1052 HA ALA 140 HA ALA 140 1.856 1.805 7.987 1053 HB1 ALA 140 1HB ALA 140 1.816 4.261 6.176 1054 HB2 ALA 140 2HB ALA 140 2.475 4.221 7.819 1055 HB3 ALA 140 3HB ALA 140 3.212 3.216 6.547 1056 H GLU 141 H GLU 141 -0.853 3.365 6.271 1057 HA GLU 141 HA GLU 141 -1.775 4.729 8.675 1058 HB2 GLU 141 1HB GLU 141 -1.780 5.654 6.345 1059 HB3 GLU 141 2HB GLU 141 -3.019 4.494 5.900 1060 HG2 GLU 141 1HG GLU 141 -3.834 6.878 6.366 1061 HG3 GLU 141 2HG GLU 141 -4.655 5.608 7.241 1062 H VAL 142 H VAL 142 -2.807 1.917 6.742 1063 HA VAL 142 HA VAL 142 -5.323 1.430 8.072 1064 HB VAL 142 HB VAL 142 -3.508 -0.133 6.185 1065 HG11 VAL 142 1HG1 VAL 142 -4.860 -1.794 7.399 1066 HG12 VAL 142 2HG1 VAL 142 -6.340 -0.881 7.052 1067 HG13 VAL 142 3HG1 VAL 142 -5.416 -1.633 5.722 1068 HG21 VAL 142 3HG2 VAL 142 -5.131 0.395 4.494 1069 HG22 VAL 142 1HG2 VAL 142 -6.225 1.139 5.673 1070 HG23 VAL 142 2HG2 VAL 142 -4.684 1.925 5.260 Start of MODEL 3 1 HA SER 1 HA SER 1 28.840 -8.071 -3.257 2 HG SER 1 HG SER 1 31.090 -6.843 -5.724 3 H1 SER 1 H SER 1 30.044 -9.711 -4.703 4 HB2 SER 1 1HB SER 1 28.911 -7.354 -6.185 5 HB3 SER 1 2HB SER 1 29.106 -6.257 -4.804 6 HA PRO 2 HA PRO 2 24.535 -8.294 -3.460 7 HB2 PRO 2 1HB PRO 2 23.631 -5.931 -2.553 8 HB3 PRO 2 2HB PRO 2 24.623 -7.069 -1.591 9 HG2 PRO 2 1HG PRO 2 25.487 -4.522 -2.984 10 HG3 PRO 2 2HG PRO 2 26.016 -5.149 -1.400 11 HD2 PRO 2 1HD PRO 2 27.291 -5.489 -3.920 12 HD3 PRO 2 2HD PRO 2 27.709 -6.402 -2.449 13 H GLU 3 H GLU 3 24.248 -8.644 -5.677 14 HA GLU 3 HA GLU 3 23.805 -6.369 -7.408 15 HB2 GLU 3 1HB GLU 3 23.890 -9.392 -7.792 16 HB3 GLU 3 2HB GLU 3 23.678 -8.212 -9.056 17 HG2 GLU 3 1HG GLU 3 26.127 -8.952 -7.529 18 HG3 GLU 3 2HG GLU 3 25.947 -8.554 -9.238 19 H ILE 4 H ILE 4 21.773 -9.349 -7.187 20 HA ILE 4 HA ILE 4 19.430 -7.518 -7.322 21 HB ILE 4 HB ILE 4 18.280 -9.213 -8.603 22 HG12 ILE 4 1HG1 ILE 4 20.994 -10.624 -8.771 23 HG13 ILE 4 2HG1 ILE 4 19.526 -11.243 -8.003 24 HG21 ILE 4 1HG2 ILE 4 20.864 -8.284 -9.922 25 HG22 ILE 4 2HG2 ILE 4 19.247 -8.530 -10.671 26 HG23 ILE 4 3HG2 ILE 4 19.505 -7.213 -9.537 27 HD11 ILE 4 3HD1 ILE 4 19.562 -12.286 -10.106 28 HD12 ILE 4 1HD1 ILE 4 18.404 -10.959 -10.307 29 HD13 ILE 4 2HD1 ILE 4 20.046 -10.797 -10.947 30 H MET 5 H MET 5 20.345 -7.848 -4.933 31 HA MET 5 HA MET 5 19.150 -10.021 -3.450 32 HB2 MET 5 1HB MET 5 20.069 -7.313 -2.420 33 HB3 MET 5 2HB MET 5 19.797 -8.763 -1.471 34 HG2 MET 5 1HG MET 5 21.919 -8.437 -3.624 35 HG3 MET 5 2HG MET 5 22.191 -8.381 -1.881 36 HE1 MET 5 3HE MET 5 24.185 -10.209 -2.455 37 HE2 MET 5 1HE MET 5 23.851 -11.790 -3.186 38 HE3 MET 5 2HE MET 5 23.663 -10.319 -4.161 39 H LYS 6 H LYS 6 17.769 -8.687 -1.393 40 HA LYS 6 HA LYS 6 15.362 -9.554 -2.615 41 HB2 LYS 6 1HB LYS 6 16.158 -8.784 0.194 42 HB3 LYS 6 2HB LYS 6 14.524 -9.288 -0.227 43 HG2 LYS 6 1HG LYS 6 15.198 -11.452 -0.928 44 HG3 LYS 6 2HG LYS 6 16.864 -10.996 -1.162 45 HD2 LYS 6 1HD LYS 6 15.654 -11.155 1.618 46 HD3 LYS 6 2HD LYS 6 16.319 -12.533 0.762 47 HE2 LYS 6 1HE LYS 6 18.147 -11.870 1.992 48 HE3 LYS 6 2HE LYS 6 18.467 -11.126 0.423 49 HZ1 LYS 6 3HZ LYS 6 17.326 -9.791 2.808 50 HZ2 LYS 6 1HZ LYS 6 18.872 -9.650 2.303 51 HZ3 LYS 6 2HZ LYS 6 17.640 -9.018 1.402 52 H ASN 7 H ASN 7 15.070 -7.897 -4.094 53 HA ASN 7 HA ASN 7 14.713 -5.303 -3.331 54 HB2 ASN 7 1HB ASN 7 14.306 -4.870 -5.780 55 HB3 ASN 7 2HB ASN 7 15.820 -5.686 -5.339 56 HD21 ASN 7 2HD2 ASN 7 16.039 -7.975 -5.790 57 HD22 ASN 7 1HD2 ASN 7 14.758 -8.788 -6.700 58 H LEU 8 H LEU 8 12.612 -5.655 -1.846 59 HA LEU 8 HA LEU 8 10.438 -6.026 -1.526 60 HG LEU 8 HG LEU 8 11.271 -4.479 -0.296 61 HB2 LEU 8 1HB LEU 8 11.149 -3.467 -2.818 62 HB3 LEU 8 2HB LEU 8 9.473 -3.796 -2.537 63 HD11 LEU 8 1HD1 LEU 8 10.549 -1.607 -0.792 64 HD12 LEU 8 2HD1 LEU 8 11.491 -2.260 0.579 65 HD13 LEU 8 3HD1 LEU 8 12.180 -2.310 -1.057 66 HD21 LEU 8 3HD2 LEU 8 8.877 -4.801 -0.012 67 HD22 LEU 8 1HD2 LEU 8 9.568 -3.708 1.173 68 HD23 LEU 8 2HD2 LEU 8 8.639 -3.038 -0.183 69 H SER 9 H SER 9 11.128 -7.782 -3.291 70 HA SER 9 HA SER 9 8.613 -8.159 -4.836 71 HG SER 9 HG SER 9 9.564 -8.373 -7.277 72 HB2 SER 9 1HB SER 9 11.081 -8.167 -5.907 73 HB3 SER 9 2HB SER 9 10.961 -9.873 -5.431 74 H ASN 10 H ASN 10 11.081 -10.374 -3.366 75 HA ASN 10 HA ASN 10 9.115 -12.366 -3.081 76 HB2 ASN 10 1HB ASN 10 11.366 -12.847 -1.252 77 HB3 ASN 10 2HB ASN 10 10.734 -13.790 -2.566 78 HD21 ASN 10 2HD2 ASN 10 12.917 -11.169 -1.705 79 HD22 ASN 10 1HD2 ASN 10 13.934 -11.294 -3.130 80 H ASN 11 H ASN 11 10.511 -10.224 -0.663 81 HA ASN 11 HA ASN 11 9.253 -11.188 1.694 82 HB2 ASN 11 1HB ASN 11 9.599 -8.668 2.349 83 HB3 ASN 11 2HB ASN 11 10.923 -9.774 2.255 84 HD21 ASN 11 2HD2 ASN 11 12.659 -8.521 1.537 85 HD22 ASN 11 1HD2 ASN 11 12.628 -7.438 0.175 86 H PHE 12 H PHE 12 8.344 -8.511 -0.501 87 HA PHE 12 HA PHE 12 5.844 -7.826 0.538 88 HD1 PHE 12 HD1 PHE 12 3.932 -6.615 -0.556 89 HD2 PHE 12 HD2 PHE 12 7.669 -5.125 -2.050 90 HE1 PHE 12 HE1 PHE 12 3.239 -4.291 -0.029 91 HE2 PHE 12 HE2 PHE 12 7.023 -2.841 -1.582 92 HZ PHE 12 HZ PHE 12 4.787 -2.353 -0.539 93 HB2 PHE 12 1HB PHE 12 7.427 -7.355 -1.816 94 HB3 PHE 12 2HB PHE 12 5.843 -7.858 -2.412 95 H GLY 13 H GLY 13 6.532 -10.289 -2.029 96 HA2 GLY 13 1HA GLY 13 3.883 -11.349 -2.092 97 HA3 GLY 13 2HA GLY 13 5.331 -12.110 -2.745 98 H LYS 14 H LYS 14 6.348 -11.839 0.263 99 HA LYS 14 HA LYS 14 5.473 -14.515 1.185 100 HB2 LYS 14 1HB LYS 14 7.643 -14.387 1.889 101 HB3 LYS 14 2HB LYS 14 7.668 -12.643 1.750 102 HG2 LYS 14 1HG LYS 14 6.791 -12.282 3.874 103 HG3 LYS 14 2HG LYS 14 6.411 -13.993 4.131 104 HD2 LYS 14 1HD LYS 14 9.268 -13.329 3.493 105 HD3 LYS 14 2HD LYS 14 8.668 -12.719 5.043 106 HE2 LYS 14 1HE LYS 14 7.714 -15.108 5.397 107 HE3 LYS 14 2HE LYS 14 8.767 -15.592 4.063 108 HZ1 LYS 14 3HZ LYS 14 10.636 -14.678 5.425 109 HZ2 LYS 14 1HZ LYS 14 9.569 -14.499 6.693 110 HZ3 LYS 14 2HZ LYS 14 9.840 -15.966 6.091 111 H ALA 15 H ALA 15 5.379 -11.135 2.442 112 HA ALA 15 HA ALA 15 3.384 -11.536 4.241 113 HB1 ALA 15 1HB ALA 15 4.685 -9.343 3.450 114 HB2 ALA 15 2HB ALA 15 3.283 -9.081 2.453 115 HB3 ALA 15 3HB ALA 15 3.105 -9.203 4.241 116 H MET 16 H MET 16 2.837 -11.212 0.586 117 HA MET 16 HA MET 16 0.064 -11.217 0.879 118 HB2 MET 16 1HB MET 16 1.506 -10.485 -1.097 119 HB3 MET 16 2HB MET 16 1.782 -12.180 -1.452 120 HG2 MET 16 1HG MET 16 -0.135 -11.443 -2.765 121 HG3 MET 16 2HG MET 16 -0.530 -12.618 -1.527 122 HE1 MET 16 3HE MET 16 -2.857 -11.491 -2.900 123 HE2 MET 16 1HE MET 16 -3.274 -12.267 -1.337 124 HE3 MET 16 2HE MET 16 -3.919 -10.665 -1.755 125 H ASP 17 H ASP 17 2.472 -13.731 0.511 126 HA ASP 17 HA ASP 17 0.720 -16.004 0.133 127 HB2 ASP 17 1HB ASP 17 3.041 -16.279 -0.348 128 HB3 ASP 17 2HB ASP 17 3.525 -15.771 1.266 129 H GLN 18 H GLN 18 2.084 -14.557 3.099 130 HA GLN 18 HA GLN 18 0.862 -16.130 5.067 131 HB2 GLN 18 1HB GLN 18 1.764 -13.293 4.963 132 HB3 GLN 18 2HB GLN 18 0.886 -13.919 6.376 133 HG2 GLN 18 1HG GLN 18 2.464 -15.644 6.747 134 HG3 GLN 18 2HG GLN 18 3.194 -15.461 5.149 135 HE21 GLN 18 2HE2 GLN 18 5.220 -15.297 6.174 136 HE22 GLN 18 1HE2 GLN 18 5.549 -13.925 7.189 137 H CYS 19 H CYS 19 -0.434 -13.218 3.359 138 HA CYS 19 HA CYS 19 -2.945 -13.247 4.766 139 HB2 CYS 19 1HB CYS 19 -2.172 -11.867 2.170 140 HB3 CYS 19 2HB CYS 19 -3.598 -11.508 3.154 141 H LYS 20 H LYS 20 -1.932 -14.346 1.526 142 HA LYS 20 HA LYS 20 -4.442 -15.352 0.686 143 HB2 LYS 20 1HB LYS 20 -2.322 -14.831 -0.710 144 HB3 LYS 20 2HB LYS 20 -1.704 -16.379 -0.175 145 HG2 LYS 20 1HG LYS 20 -3.929 -17.345 -1.133 146 HG3 LYS 20 2HG LYS 20 -4.182 -15.749 -1.755 147 HD2 LYS 20 1HD LYS 20 -3.193 -16.757 -3.584 148 HD3 LYS 20 2HD LYS 20 -1.719 -16.168 -2.780 149 HE2 LYS 20 1HE LYS 20 -1.464 -18.403 -1.689 150 HE3 LYS 20 2HE LYS 20 -3.006 -18.915 -2.373 151 HZ1 LYS 20 3HZ LYS 20 -1.377 -19.783 -3.790 152 HZ2 LYS 20 1HZ LYS 20 -1.951 -18.483 -4.627 153 HZ3 LYS 20 2HZ LYS 20 -0.512 -18.382 -3.842 154 H ASP 21 H ASP 21 -2.416 -16.492 3.190 155 HA ASP 21 HA ASP 21 -3.613 -19.181 3.008 156 HB2 ASP 21 1HB ASP 21 -1.189 -19.214 3.147 157 HB3 ASP 21 2HB ASP 21 -1.204 -18.124 4.533 158 H GLU 22 H GLU 22 -2.738 -16.777 5.563 159 HA GLU 22 HA GLU 22 -4.532 -17.829 7.501 160 HB2 GLU 22 1HB GLU 22 -3.266 -15.060 7.163 161 HB3 GLU 22 2HB GLU 22 -4.294 -15.498 8.521 162 HG2 GLU 22 1HG GLU 22 -2.600 -17.595 8.634 163 HG3 GLU 22 2HG GLU 22 -1.497 -16.405 7.919 164 H LEU 23 H LEU 23 -5.053 -15.596 4.839 165 HA LEU 23 HA LEU 23 -7.855 -15.219 5.766 166 HG LEU 23 HG LEU 23 -5.362 -12.975 5.521 167 HB2 LEU 23 1HB LEU 23 -6.590 -13.749 3.492 168 HB3 LEU 23 2HB LEU 23 -8.092 -13.448 4.273 169 HD11 LEU 23 1HD1 LEU 23 -5.875 -11.435 3.689 170 HD12 LEU 23 2HD1 LEU 23 -7.471 -11.103 4.390 171 HD13 LEU 23 3HD1 LEU 23 -6.017 -10.584 5.243 172 HD21 LEU 23 3HD2 LEU 23 -7.026 -13.509 7.272 173 HD22 LEU 23 1HD2 LEU 23 -6.609 -11.790 7.308 174 HD23 LEU 23 2HD2 LEU 23 -8.143 -12.311 6.585 175 H SER 24 H SER 24 -5.917 -17.105 3.724 176 HA SER 24 HA SER 24 -6.314 -18.556 2.085 177 HG SER 24 HG SER 24 -7.022 -20.522 2.963 178 HB2 SER 24 1HB SER 24 -8.261 -18.849 3.954 179 HB3 SER 24 2HB SER 24 -9.224 -18.730 2.489 180 H LEU 25 H LEU 25 -6.357 -15.724 1.328 181 HA LEU 25 HA LEU 25 -8.555 -15.018 -0.231 182 HG LEU 25 HG LEU 25 -6.136 -13.067 1.430 183 HB2 LEU 25 1HB LEU 25 -5.678 -14.000 -0.631 184 HB3 LEU 25 2HB LEU 25 -7.081 -13.273 -1.349 185 HD11 LEU 25 1HD1 LEU 25 -7.860 -11.270 -0.315 186 HD12 LEU 25 2HD1 LEU 25 -6.905 -10.832 1.100 187 HD13 LEU 25 3HD1 LEU 25 -6.099 -11.350 -0.420 188 HD21 LEU 25 3HD2 LEU 25 -8.403 -14.044 1.911 189 HD22 LEU 25 1HD2 LEU 25 -8.445 -12.304 2.195 190 HD23 LEU 25 2HD2 LEU 25 -9.134 -12.985 0.710 191 HA PRO 26 HA PRO 26 -8.162 -17.671 -3.721 192 HB2 PRO 26 1HB PRO 26 -9.943 -16.560 -5.478 193 HB3 PRO 26 2HB PRO 26 -10.443 -17.363 -3.968 194 HG2 PRO 26 1HG PRO 26 -10.010 -14.434 -4.459 195 HG3 PRO 26 2HG PRO 26 -11.437 -15.204 -3.679 196 HD2 PRO 26 1HD PRO 26 -9.431 -14.099 -2.211 197 HD3 PRO 26 2HD PRO 26 -10.224 -15.609 -1.700 198 H ASP 27 H ASP 27 -7.391 -17.798 -5.924 199 HA ASP 27 HA ASP 27 -5.247 -16.129 -6.634 200 HB2 ASP 27 1HB ASP 27 -5.833 -18.504 -7.381 201 HB3 ASP 27 2HB ASP 27 -6.877 -17.771 -8.595 202 H SER 28 H SER 28 -8.565 -15.583 -7.116 203 HA SER 28 HA SER 28 -8.425 -13.768 -9.390 204 HG SER 28 HG SER 28 -11.238 -13.292 -6.993 205 HB2 SER 28 1HB SER 28 -10.745 -13.333 -8.979 206 HB3 SER 28 2HB SER 28 -10.474 -15.073 -8.941 207 H VAL 29 H VAL 29 -9.078 -13.464 -5.856 208 HA VAL 29 HA VAL 29 -8.838 -10.622 -5.837 209 HB VAL 29 HB VAL 29 -8.537 -12.628 -3.565 210 HG11 VAL 29 1HG1 VAL 29 -7.476 -10.558 -2.846 211 HG12 VAL 29 2HG1 VAL 29 -8.821 -9.597 -3.495 212 HG13 VAL 29 3HG1 VAL 29 -9.067 -10.650 -2.093 213 HG21 VAL 29 3HG2 VAL 29 -10.912 -10.798 -4.137 214 HG22 VAL 29 1HG2 VAL 29 -10.848 -12.464 -4.705 215 HG23 VAL 29 2HG2 VAL 29 -10.807 -12.136 -2.982 216 H VAL 30 H VAL 30 -6.404 -13.211 -5.289 217 HA VAL 30 HA VAL 30 -4.324 -11.437 -4.464 218 HB VAL 30 HB VAL 30 -4.347 -14.191 -5.786 219 HG11 VAL 30 1HG1 VAL 30 -2.044 -14.541 -4.948 220 HG12 VAL 30 2HG1 VAL 30 -2.127 -13.300 -6.205 221 HG13 VAL 30 3HG1 VAL 30 -1.949 -12.825 -4.507 222 HG21 VAL 30 3HG2 VAL 30 -5.171 -13.481 -3.220 223 HG22 VAL 30 1HG2 VAL 30 -4.656 -15.067 -3.768 224 HG23 VAL 30 2HG2 VAL 30 -3.491 -13.984 -2.964 225 H ALA 31 H ALA 31 -5.278 -12.671 -7.736 226 HA ALA 31 HA ALA 31 -3.073 -11.311 -9.048 227 HB1 ALA 31 1HB ALA 31 -4.291 -13.163 -10.140 228 HB2 ALA 31 2HB ALA 31 -5.780 -12.168 -10.151 229 HB3 ALA 31 3HB ALA 31 -4.374 -11.677 -11.108 230 H ASP 32 H ASP 32 -6.491 -10.559 -8.335 231 HA ASP 32 HA ASP 32 -6.635 -8.046 -9.589 232 HB2 ASP 32 1HB ASP 32 -8.002 -8.938 -7.009 233 HB3 ASP 32 2HB ASP 32 -8.378 -7.467 -7.871 234 H LEU 33 H LEU 33 -5.444 -8.867 -6.255 235 HA LEU 33 HA LEU 33 -5.020 -6.186 -5.569 236 HG LEU 33 HG LEU 33 -5.281 -7.477 -2.519 237 HB2 LEU 33 1HB LEU 33 -4.885 -8.668 -4.258 238 HB3 LEU 33 2HB LEU 33 -3.228 -8.222 -4.306 239 HD11 LEU 33 1HD1 LEU 33 -2.930 -7.953 -1.984 240 HD12 LEU 33 2HD1 LEU 33 -2.438 -6.416 -2.752 241 HD13 LEU 33 3HD1 LEU 33 -3.441 -6.412 -1.271 242 HD21 LEU 33 3HD2 LEU 33 -4.182 -4.936 -3.784 243 HD22 LEU 33 1HD2 LEU 33 -5.879 -5.476 -3.811 244 HD23 LEU 33 2HD2 LEU 33 -5.128 -5.047 -2.287 245 H TYR 34 H TYR 34 -2.877 -8.483 -7.228 246 HA TYR 34 HA TYR 34 -0.625 -6.596 -7.173 247 HD1 TYR 34 HD1 TYR 34 -0.967 -10.095 -6.337 248 HD2 TYR 34 HD2 TYR 34 2.085 -7.687 -8.188 249 HE1 TYR 34 HE1 TYR 34 0.622 -10.793 -4.587 250 HE2 TYR 34 HE2 TYR 34 3.696 -8.375 -6.398 251 HH TYR 34 HH TYR 34 3.258 -9.055 -3.851 252 HB2 TYR 34 1HB TYR 34 -1.238 -9.129 -8.682 253 HB3 TYR 34 2HB TYR 34 0.003 -8.034 -9.290 254 H ASN 35 H ASN 35 -3.335 -7.273 -9.373 255 HA ASN 35 HA ASN 35 -2.498 -5.526 -11.499 256 HB2 ASN 35 1HB ASN 35 -4.991 -6.961 -10.754 257 HB3 ASN 35 2HB ASN 35 -5.061 -5.787 -12.089 258 HD21 ASN 35 2HD2 ASN 35 -5.764 -8.394 -12.512 259 HD22 ASN 35 1HD2 ASN 35 -4.521 -9.313 -13.308 260 H PHE 36 H PHE 36 -4.035 -4.952 -8.446 261 HA PHE 36 HA PHE 36 -5.319 -2.571 -8.870 262 HD1 PHE 36 HD1 PHE 36 -6.088 -0.876 -7.641 263 HD2 PHE 36 HD2 PHE 36 -3.921 -2.551 -4.323 264 HE1 PHE 36 HE1 PHE 36 -6.118 1.355 -6.463 265 HE2 PHE 36 HE2 PHE 36 -4.218 -0.445 -3.059 266 HZ PHE 36 HZ PHE 36 -5.252 1.528 -4.145 267 HB2 PHE 36 1HB PHE 36 -5.392 -3.853 -6.767 268 HB3 PHE 36 2HB PHE 36 -3.696 -3.504 -6.501 269 H TRP 37 H TRP 37 -1.958 -2.840 -7.722 270 HA TRP 37 HA TRP 37 -1.341 -0.095 -8.671 271 HD1 TRP 37 HD1 TRP 37 -0.095 -3.700 -7.141 272 HE1 TRP 37 HE1 TRP 37 -0.754 -4.863 -4.909 273 HE3 TRP 37 HE3 TRP 37 -1.012 0.427 -4.476 274 HZ2 TRP 37 HZ2 TRP 37 -1.692 -3.979 -2.268 275 HZ3 TRP 37 HZ3 TRP 37 -1.765 0.326 -2.057 276 HH2 TRP 37 HH2 TRP 37 -2.123 -1.876 -0.968 277 HB2 TRP 37 1HB TRP 37 0.813 -0.745 -7.289 278 HB3 TRP 37 2HB TRP 37 -0.613 0.062 -6.690 279 H LYS 38 H LYS 38 -1.508 -1.086 -10.755 280 HA LYS 38 HA LYS 38 1.100 -2.226 -11.675 281 HB2 LYS 38 1HB LYS 38 -0.910 -3.848 -11.179 282 HB3 LYS 38 2HB LYS 38 -1.507 -3.322 -12.731 283 HG2 LYS 38 1HG LYS 38 0.595 -4.141 -13.801 284 HG3 LYS 38 2HG LYS 38 1.304 -4.476 -12.199 285 HD2 LYS 38 1HD LYS 38 -0.507 -6.099 -11.737 286 HD3 LYS 38 2HD LYS 38 -1.189 -5.758 -13.350 287 HE2 LYS 38 1HE LYS 38 1.299 -6.539 -14.068 288 HE3 LYS 38 2HE LYS 38 1.174 -7.369 -12.494 289 HZ1 LYS 38 3HZ LYS 38 -0.632 -7.635 -14.819 290 HZ2 LYS 38 1HZ LYS 38 0.322 -8.800 -14.184 291 HZ3 LYS 38 2HZ LYS 38 -1.012 -8.228 -13.348 292 H ASP 39 H ASP 39 -2.087 -0.957 -12.928 293 HA ASP 39 HA ASP 39 -0.501 0.980 -14.479 294 HB2 ASP 39 1HB ASP 39 -1.111 -0.908 -16.027 295 HB3 ASP 39 2HB ASP 39 -2.807 -0.494 -15.797 296 H ASP 40 H ASP 40 -4.038 0.191 -14.270 297 HA ASP 40 HA ASP 40 -4.593 2.283 -12.376 298 HB2 ASP 40 1HB ASP 40 -4.228 3.746 -14.368 299 HB3 ASP 40 2HB ASP 40 -5.452 2.842 -15.256 300 H TYR 41 H TYR 41 -5.788 0.677 -11.359 301 HA TYR 41 HA TYR 41 -8.316 -0.184 -12.692 302 HD1 TYR 41 HD2 TYR 41 -7.058 -1.762 -9.304 303 HD2 TYR 41 HD1 TYR 41 -8.573 -3.998 -12.570 304 HE1 TYR 41 HE2 TYR 41 -8.121 -3.216 -7.691 305 HE2 TYR 41 HE1 TYR 41 -9.998 -5.354 -11.007 306 HH TYR 41 HH TYR 41 -10.320 -5.905 -8.800 307 HB2 TYR 41 1HB TYR 41 -7.152 -2.119 -12.960 308 HB3 TYR 41 2HB TYR 41 -6.054 -1.811 -11.638 309 H VAL 42 H VAL 42 -10.157 -0.548 -11.171 310 HA VAL 42 HA VAL 42 -9.703 0.635 -8.518 311 HB VAL 42 HB VAL 42 -11.865 1.411 -8.456 312 HG11 VAL 42 1HG1 VAL 42 -10.181 2.830 -9.550 313 HG12 VAL 42 2HG1 VAL 42 -10.636 2.151 -11.131 314 HG13 VAL 42 3HG1 VAL 42 -11.803 3.100 -10.211 315 HG21 VAL 42 3HG2 VAL 42 -13.169 -0.232 -9.568 316 HG22 VAL 42 1HG2 VAL 42 -13.435 1.320 -10.361 317 HG23 VAL 42 2HG2 VAL 42 -12.372 0.097 -11.120 318 H MET 43 H MET 43 -10.124 -0.517 -6.731 319 HA MET 43 HA MET 43 -10.499 -3.388 -6.936 320 HB2 MET 43 1HB MET 43 -10.237 -1.446 -4.626 321 HB3 MET 43 2HB MET 43 -10.599 -3.158 -4.367 322 HG2 MET 43 1HG MET 43 -8.547 -3.777 -5.594 323 HG3 MET 43 2HG MET 43 -8.134 -2.062 -5.747 324 HE1 MET 43 3HE MET 43 -7.250 -1.041 -2.100 325 HE2 MET 43 1HE MET 43 -7.404 -0.528 -3.792 326 HE3 MET 43 2HE MET 43 -8.860 -0.847 -2.830 327 H THR 44 H THR 44 -12.405 -4.488 -7.016 328 HA THR 44 HA THR 44 -14.840 -3.049 -6.135 329 HB THR 44 HB THR 44 -16.024 -4.721 -7.492 330 HG1 THR 44 1HG THR 44 -13.769 -5.498 -8.881 331 HG21 THR 44 3HG2 THR 44 -13.846 -3.279 -9.086 332 HG22 THR 44 1HG2 THR 44 -15.434 -3.826 -9.675 333 HG23 THR 44 2HG2 THR 44 -15.332 -2.532 -8.473 334 H ASP 45 H ASP 45 -12.953 -6.070 -5.510 335 HA ASP 45 HA ASP 45 -15.123 -7.121 -3.840 336 HB2 ASP 45 1HB ASP 45 -13.453 -8.509 -5.308 337 HB3 ASP 45 2HB ASP 45 -12.365 -8.331 -3.941 338 H ARG 46 H ARG 46 -15.149 -7.229 -1.628 339 HA ARG 46 HA ARG 46 -13.564 -5.327 -0.185 340 HE ARG 46 HE ARG 46 -15.352 -10.336 1.939 341 HB2 ARG 46 1HB ARG 46 -14.759 -5.944 1.747 342 HB3 ARG 46 2HB ARG 46 -15.876 -5.966 0.395 343 HG2 ARG 46 1HG ARG 46 -16.501 -7.960 1.228 344 HG3 ARG 46 2HG ARG 46 -15.115 -8.602 0.375 345 HD2 ARG 46 1HD ARG 46 -13.768 -8.135 2.536 346 HD3 ARG 46 2HD ARG 46 -15.322 -7.809 3.318 347 HH11 ARG 46 2HH2 ARG 46 -14.281 -8.789 5.014 348 HH12 ARG 46 1HH2 ARG 46 -13.933 -10.279 5.779 349 HH21 ARG 46 2HH1 ARG 46 -15.008 -12.287 3.019 350 HH22 ARG 46 1HH1 ARG 46 -14.263 -12.346 4.575 351 H LEU 47 H LEU 47 -13.073 -8.773 -0.889 352 HA LEU 47 HA LEU 47 -11.250 -9.313 1.264 353 HG LEU 47 HG LEU 47 -13.412 -11.106 0.176 354 HB2 LEU 47 1HB LEU 47 -11.615 -10.524 -1.494 355 HB3 LEU 47 2HB LEU 47 -10.408 -11.112 -0.355 356 HD11 LEU 47 1HD1 LEU 47 -12.761 -12.687 -1.597 357 HD12 LEU 47 2HD1 LEU 47 -11.467 -13.347 -0.561 358 HD13 LEU 47 3HD1 LEU 47 -13.172 -13.565 -0.121 359 HD21 LEU 47 3HD2 LEU 47 -12.738 -12.624 2.060 360 HD22 LEU 47 1HD2 LEU 47 -11.042 -12.233 1.744 361 HD23 LEU 47 2HD2 LEU 47 -12.172 -10.967 2.281 362 H ALA 48 H ALA 48 -10.731 -7.680 -1.885 363 HA ALA 48 HA ALA 48 -7.878 -7.851 -1.894 364 HB1 ALA 48 1HB ALA 48 -9.234 -6.972 -3.765 365 HB2 ALA 48 2HB ALA 48 -9.697 -5.565 -2.786 366 HB3 ALA 48 3HB ALA 48 -8.002 -5.803 -3.252 367 H GLY 49 H GLY 49 -10.078 -5.658 -0.139 368 HA2 GLY 49 1HA GLY 49 -8.006 -4.054 1.060 369 HA3 GLY 49 2HA GLY 49 -9.711 -4.106 1.513 370 H CYS 50 H CYS 50 -9.671 -7.072 1.943 371 HA CYS 50 HA CYS 50 -8.669 -7.162 4.657 372 HB2 CYS 50 1HB CYS 50 -9.442 -9.459 2.819 373 HB3 CYS 50 2HB CYS 50 -9.119 -9.561 4.535 374 H ALA 51 H ALA 51 -7.408 -8.368 1.499 375 HA ALA 51 HA ALA 51 -4.981 -9.407 2.542 376 HB1 ALA 51 1HB ALA 51 -6.051 -8.958 -0.099 377 HB2 ALA 51 2HB ALA 51 -4.419 -8.261 -0.019 378 HB3 ALA 51 3HB ALA 51 -4.704 -9.963 0.403 379 H ILE 52 H ILE 52 -5.702 -6.044 1.371 380 HA ILE 52 HA ILE 52 -3.215 -4.936 2.026 381 HB ILE 52 HB ILE 52 -5.946 -3.621 2.103 382 HG12 ILE 52 1HG1 ILE 52 -3.741 -3.490 -0.009 383 HG13 ILE 52 2HG1 ILE 52 -5.098 -4.580 -0.098 384 HG21 ILE 52 1HG2 ILE 52 -4.730 -1.451 1.981 385 HG22 ILE 52 2HG2 ILE 52 -4.332 -2.303 3.460 386 HG23 ILE 52 3HG2 ILE 52 -3.184 -2.329 2.117 387 HD11 ILE 52 3HD1 ILE 52 -5.512 -2.676 -1.503 388 HD12 ILE 52 1HD1 ILE 52 -6.657 -2.636 -0.139 389 HD13 ILE 52 2HD1 ILE 52 -5.245 -1.546 -0.176 390 H ASN 53 H ASN 53 -6.075 -5.114 4.288 391 HA ASN 53 HA ASN 53 -4.587 -3.901 6.362 392 HB2 ASN 53 1HB ASN 53 -6.288 -4.361 7.855 393 HB3 ASN 53 2HB ASN 53 -7.062 -4.084 6.316 394 HD21 ASN 53 2HD2 ASN 53 -8.959 -5.091 6.975 395 HD22 ASN 53 1HD2 ASN 53 -9.115 -6.828 7.091 396 H CYS 54 H CYS 54 -4.549 -7.246 5.347 397 HA CYS 54 HA CYS 54 -3.146 -8.203 7.726 398 HB2 CYS 54 1HB CYS 54 -4.430 -9.791 6.618 399 HB3 CYS 54 2HB CYS 54 -3.896 -9.295 5.021 400 H LEU 55 H LEU 55 -2.214 -7.111 4.442 401 HA LEU 55 HA LEU 55 0.597 -7.535 4.759 402 HG LEU 55 HG LEU 55 -1.227 -8.065 2.558 403 HB2 LEU 55 1HB LEU 55 -0.973 -5.533 3.091 404 HB3 LEU 55 2HB LEU 55 0.768 -5.779 2.932 405 HD11 LEU 55 1HD1 LEU 55 -1.172 -7.761 0.189 406 HD12 LEU 55 2HD1 LEU 55 -1.703 -6.230 0.906 407 HD13 LEU 55 3HD1 LEU 55 -0.038 -6.406 0.326 408 HD21 LEU 55 3HD2 LEU 55 0.616 -9.026 1.235 409 HD22 LEU 55 1HD2 LEU 55 1.648 -7.674 1.727 410 HD23 LEU 55 2HD2 LEU 55 0.996 -8.809 2.948 411 H ALA 56 H ALA 56 -1.567 -5.044 5.896 412 HA ALA 56 HA ALA 56 0.417 -3.077 6.514 413 HB1 ALA 56 1HB ALA 56 -2.430 -3.239 7.578 414 HB2 ALA 56 2HB ALA 56 -1.376 -1.823 7.531 415 HB3 ALA 56 3HB ALA 56 -1.993 -2.502 6.023 416 H THR 57 H THR 57 -0.807 -5.885 8.397 417 HA THR 57 HA THR 57 0.427 -4.751 10.819 418 HB THR 57 HB THR 57 -0.097 -6.951 11.792 419 HG1 THR 57 1HG THR 57 -1.465 -8.338 10.536 420 HG21 THR 57 3HG2 THR 57 -1.783 -5.122 11.852 421 HG22 THR 57 1HG2 THR 57 -2.511 -5.747 10.358 422 HG23 THR 57 2HG2 THR 57 -2.527 -6.727 11.840 423 H LYS 58 H LYS 58 1.610 -6.215 7.762 424 HA LYS 58 HA LYS 58 3.581 -7.768 9.228 425 HB2 LYS 58 1HB LYS 58 1.934 -8.123 6.703 426 HB3 LYS 58 2HB LYS 58 3.459 -8.976 6.912 427 HG2 LYS 58 1HG LYS 58 2.815 -10.036 8.905 428 HG3 LYS 58 2HG LYS 58 1.348 -9.048 9.026 429 HD2 LYS 58 1HD LYS 58 0.308 -10.174 7.182 430 HD3 LYS 58 2HD LYS 58 1.795 -11.017 6.765 431 HE2 LYS 58 1HE LYS 58 0.107 -12.416 8.023 432 HE3 LYS 58 2HE LYS 58 1.725 -12.365 8.740 433 HZ1 LYS 58 3HZ LYS 58 -0.540 -10.688 9.672 434 HZ2 LYS 58 1HZ LYS 58 -0.068 -12.090 10.381 435 HZ3 LYS 58 2HZ LYS 58 0.959 -10.814 10.351 436 H LEU 59 H LEU 59 3.723 -4.971 8.874 437 HA LEU 59 HA LEU 59 5.374 -4.171 6.784 438 HG LEU 59 HG LEU 59 3.208 -3.052 8.873 439 HB2 LEU 59 1HB LEU 59 5.491 -3.215 9.665 440 HB3 LEU 59 2HB LEU 59 6.098 -2.339 8.250 441 HD11 LEU 59 1HD1 LEU 59 4.071 -1.238 10.248 442 HD12 LEU 59 2HD1 LEU 59 4.597 -0.369 8.783 443 HD13 LEU 59 3HD1 LEU 59 2.866 -0.644 9.099 444 HD21 LEU 59 3HD2 LEU 59 4.531 -1.980 6.400 445 HD22 LEU 59 1HD2 LEU 59 3.113 -3.039 6.558 446 HD23 LEU 59 2HD2 LEU 59 2.991 -1.292 6.875 447 H ASP 60 H ASP 60 6.060 -6.265 9.370 448 HA ASP 60 HA ASP 60 8.951 -5.864 9.414 449 HB2 ASP 60 1HB ASP 60 8.659 -7.716 11.234 450 HB3 ASP 60 2HB ASP 60 7.912 -6.151 11.600 451 H VAL 61 H VAL 61 6.648 -7.653 7.732 452 HA VAL 61 HA VAL 61 8.509 -9.827 7.077 453 HB VAL 61 HB VAL 61 5.763 -9.744 7.745 454 HG11 VAL 61 1HG1 VAL 61 5.089 -9.048 5.582 455 HG12 VAL 61 2HG1 VAL 61 5.967 -10.398 4.830 456 HG13 VAL 61 3HG1 VAL 61 4.587 -10.713 5.913 457 HG21 VAL 61 3HG2 VAL 61 6.864 -11.982 6.067 458 HG22 VAL 61 1HG2 VAL 61 7.554 -11.724 7.705 459 HG23 VAL 61 2HG2 VAL 61 5.829 -12.048 7.509 460 H VAL 62 H VAL 62 6.278 -7.344 5.580 461 HA VAL 62 HA VAL 62 7.491 -7.797 3.011 462 HB VAL 62 HB VAL 62 5.390 -6.751 3.256 463 HG11 VAL 62 1HG1 VAL 62 4.885 -4.516 3.847 464 HG12 VAL 62 2HG1 VAL 62 5.426 -5.508 5.189 465 HG13 VAL 62 3HG1 VAL 62 6.529 -4.288 4.487 466 HG21 VAL 62 3HG2 VAL 62 5.549 -4.975 1.612 467 HG22 VAL 62 1HG2 VAL 62 7.199 -4.582 2.099 468 HG23 VAL 62 2HG2 VAL 62 6.883 -6.094 1.256 469 H ASP 63 H ASP 63 8.159 -5.511 5.561 470 HA ASP 63 HA ASP 63 10.632 -4.673 4.048 471 HB2 ASP 63 1HB ASP 63 9.018 -2.882 4.070 472 HB3 ASP 63 2HB ASP 63 8.994 -2.900 5.845 473 HA PRO 64 HA PRO 64 11.902 -6.616 8.020 474 HB2 PRO 64 1HB PRO 64 13.951 -8.162 7.071 475 HB3 PRO 64 2HB PRO 64 12.233 -8.673 7.074 476 HG2 PRO 64 1HG PRO 64 13.819 -7.464 4.784 477 HG3 PRO 64 2HG PRO 64 12.730 -8.886 4.756 478 HD2 PRO 64 1HD PRO 64 11.921 -6.435 3.952 479 HD3 PRO 64 2HD PRO 64 10.820 -7.555 4.808 480 H ASP 65 H ASP 65 13.453 -4.607 5.588 481 HA ASP 65 HA ASP 65 15.945 -4.134 6.914 482 HB2 ASP 65 1HB ASP 65 14.337 -2.595 4.872 483 HB3 ASP 65 2HB ASP 65 15.844 -1.965 5.547 484 H GLY 66 H GLY 66 12.628 -3.023 7.627 485 HA2 GLY 66 1HA GLY 66 12.148 -2.501 9.875 486 HA3 GLY 66 2HA GLY 66 13.821 -2.058 10.162 487 H ASN 67 H ASN 67 11.733 -0.901 7.447 488 HA ASN 67 HA ASN 67 12.412 1.834 8.370 489 HB2 ASN 67 1HB ASN 67 11.856 0.995 5.532 490 HB3 ASN 67 2HB ASN 67 12.615 2.469 6.122 491 HD21 ASN 67 2HD2 ASN 67 14.504 1.347 7.877 492 HD22 ASN 67 1HD2 ASN 67 15.617 0.326 6.973 493 H LEU 68 H LEU 68 9.952 -0.217 6.788 494 HA LEU 68 HA LEU 68 7.858 1.809 6.955 495 HG LEU 68 HG LEU 68 6.908 1.223 4.752 496 HB2 LEU 68 1HB LEU 68 8.217 -0.702 5.667 497 HB3 LEU 68 2HB LEU 68 6.992 -1.008 6.835 498 HD11 LEU 68 1HD1 LEU 68 5.930 -1.631 4.799 499 HD12 LEU 68 2HD1 LEU 68 4.994 -0.409 3.934 500 HD13 LEU 68 3HD1 LEU 68 6.688 -0.706 3.504 501 HD21 LEU 68 3HD2 LEU 68 4.518 1.443 5.316 502 HD22 LEU 68 1HD2 LEU 68 4.712 0.312 6.644 503 HD23 LEU 68 2HD2 LEU 68 5.543 1.878 6.679 504 H HIS 69 H HIS 69 6.561 2.203 8.673 505 HA HIS 69 HA HIS 69 6.069 0.118 10.647 506 HD1 HIS 69 HD1 HIS 69 8.345 -0.524 12.926 507 HD2 HIS 69 HD2 HIS 69 9.420 2.814 10.547 508 HE1 HIS 69 HE1 HIS 69 10.834 -0.745 12.418 509 HE2 HIS 69 HE2 HIS 69 11.510 1.255 11.004 510 HB2 HIS 69 1HB HIS 69 6.916 2.820 11.759 511 HB3 HIS 69 2HB HIS 69 6.477 1.391 12.642 512 H HIS 70 H HIS 70 4.323 0.900 12.176 513 HA HIS 70 HA HIS 70 2.117 1.768 10.642 514 HD1 HIS 70 HD1 HIS 70 3.844 -0.596 13.938 515 HD2 HIS 70 HD2 HIS 70 2.571 3.359 14.759 516 HE1 HIS 70 HE1 HIS 70 5.348 0.324 15.827 517 HE2 HIS 70 HE2 HIS 70 4.504 2.738 16.310 518 HB2 HIS 70 1HB HIS 70 1.010 1.813 12.999 519 HB3 HIS 70 2HB HIS 70 1.711 0.280 12.506 520 H GLY 71 H GLY 71 1.037 3.609 10.420 521 HA2 GLY 71 1HA GLY 71 0.996 5.791 9.915 522 HA3 GLY 71 2HA GLY 71 1.405 6.085 11.612 523 H ASN 72 H ASN 72 3.658 4.333 9.373 524 HA ASN 72 HA ASN 72 5.315 6.739 9.122 525 HB2 ASN 72 1HB ASN 72 5.694 5.424 11.379 526 HB3 ASN 72 2HB ASN 72 6.373 4.206 10.365 527 HD21 ASN 72 2HD2 ASN 72 8.543 4.782 11.613 528 HD22 ASN 72 1HD2 ASN 72 9.542 5.875 10.682 529 H ALA 73 H ALA 73 4.655 6.239 6.820 530 HA ALA 73 HA ALA 73 6.326 4.172 5.541 531 HB1 ALA 73 1HB ALA 73 5.066 6.626 4.308 532 HB2 ALA 73 2HB ALA 73 5.622 5.176 3.475 533 HB3 ALA 73 3HB ALA 73 4.201 5.087 4.541 534 H LYS 74 H LYS 74 7.296 6.801 7.341 535 HA LYS 74 HA LYS 74 8.457 8.434 5.314 536 HB2 LYS 74 1HB LYS 74 7.741 8.882 7.861 537 HB3 LYS 74 2HB LYS 74 9.495 8.712 8.135 538 HG2 LYS 74 1HG LYS 74 10.028 10.577 6.907 539 HG3 LYS 74 2HG LYS 74 8.583 10.493 5.925 540 HD2 LYS 74 1HD LYS 74 8.229 12.326 7.366 541 HD3 LYS 74 2HD LYS 74 7.197 10.994 7.931 542 HE2 LYS 74 1HE LYS 74 9.383 10.523 9.483 543 HE3 LYS 74 2HE LYS 74 9.680 12.234 9.151 544 HZ1 LYS 74 3HZ LYS 74 7.451 10.974 10.576 545 HZ2 LYS 74 1HZ LYS 74 8.395 12.265 11.043 546 HZ3 LYS 74 2HZ LYS 74 7.232 12.451 9.889 547 H ASP 75 H ASP 75 10.063 6.450 7.861 548 HA ASP 75 HA ASP 75 12.686 6.828 6.853 549 HB2 ASP 75 1HB ASP 75 11.586 4.498 8.474 550 HB3 ASP 75 2HB ASP 75 13.286 4.846 8.215 551 H PHE 76 H PHE 76 10.066 4.765 5.845 552 HA PHE 76 HA PHE 76 11.637 2.916 4.220 553 HD1 PHE 76 HD2 PHE 76 10.716 0.526 3.794 554 HD2 PHE 76 HD1 PHE 76 7.511 3.001 2.245 555 HE1 PHE 76 HE2 PHE 76 10.118 -1.244 2.185 556 HE2 PHE 76 HE1 PHE 76 6.917 1.200 0.673 557 HZ PHE 76 HZ PHE 76 8.218 -0.904 0.596 558 HB2 PHE 76 1HB PHE 76 9.378 2.428 5.147 559 HB3 PHE 76 2HB PHE 76 8.671 3.666 4.170 560 H ALA 77 H ALA 77 9.502 5.700 3.473 561 HA ALA 77 HA ALA 77 10.066 5.934 0.734 562 HB1 ALA 77 1HB ALA 77 8.139 6.914 1.968 563 HB2 ALA 77 2HB ALA 77 9.212 8.063 2.756 564 HB3 ALA 77 3HB ALA 77 8.955 8.133 1.006 565 H MET 78 H MET 78 11.708 7.342 3.535 566 HA MET 78 HA MET 78 13.509 9.131 2.268 567 HB2 MET 78 1HB MET 78 13.746 7.535 4.855 568 HB3 MET 78 2HB MET 78 14.917 8.742 4.330 569 HG2 MET 78 1HG MET 78 12.411 10.027 4.114 570 HG3 MET 78 2HG MET 78 12.357 9.146 5.624 571 HE1 MET 78 3HE MET 78 11.886 12.075 5.538 572 HE2 MET 78 1HE MET 78 12.020 11.114 7.050 573 HE3 MET 78 2HE MET 78 12.891 12.659 6.881 574 H LYS 79 H LYS 79 13.713 5.597 2.719 575 HA LYS 79 HA LYS 79 16.453 5.562 1.590 576 HB2 LYS 79 1HB LYS 79 14.593 3.499 2.839 577 HB3 LYS 79 2HB LYS 79 16.025 2.994 1.949 578 HG2 LYS 79 1HG LYS 79 16.024 4.780 4.419 579 HG3 LYS 79 2HG LYS 79 16.450 3.059 4.348 580 HD2 LYS 79 1HD LYS 79 18.204 3.825 2.540 581 HD3 LYS 79 2HD LYS 79 17.940 5.430 3.202 582 HE2 LYS 79 1HE LYS 79 19.736 4.779 4.462 583 HE3 LYS 79 2HE LYS 79 18.412 4.270 5.519 584 HZ1 LYS 79 3HZ LYS 79 20.041 2.530 5.283 585 HZ2 LYS 79 1HZ LYS 79 18.674 2.021 4.499 586 HZ3 LYS 79 2HZ LYS 79 19.972 2.546 3.656 587 H HIS 80 H HIS 80 13.447 5.849 0.195 588 HA HIS 80 HA HIS 80 14.162 3.941 -1.998 589 HD1 HIS 80 HD1 HIS 80 11.791 1.937 -3.348 590 HD2 HIS 80 HD2 HIS 80 12.338 2.671 0.772 591 HE1 HIS 80 HE1 HIS 80 11.671 -0.353 -2.170 592 HE2 HIS 80 HE2 HIS 80 12.045 0.139 0.367 593 HB2 HIS 80 1HB HIS 80 11.493 4.822 -0.933 594 HB3 HIS 80 2HB HIS 80 11.668 4.446 -2.652 595 H GLY 81 H GLY 81 12.856 7.255 -1.400 596 HA2 GLY 81 1HA GLY 81 14.244 8.720 -3.238 597 HA3 GLY 81 2HA GLY 81 13.121 7.811 -4.265 598 H ALA 82 H ALA 82 12.854 9.291 -0.995 599 HA ALA 82 HA ALA 82 11.163 11.422 -2.016 600 HB1 ALA 82 1HB ALA 82 9.440 10.809 -0.148 601 HB2 ALA 82 2HB ALA 82 9.407 9.818 -1.627 602 HB3 ALA 82 3HB ALA 82 10.221 9.232 -0.162 603 H ASP 83 H ASP 83 10.831 13.005 -0.312 604 HA ASP 83 HA ASP 83 12.903 12.997 1.870 605 HB2 ASP 83 1HB ASP 83 11.549 15.337 0.429 606 HB3 ASP 83 2HB ASP 83 12.723 15.463 1.738 607 H GLU 84 H GLU 84 12.103 14.565 3.667 608 HA GLU 84 HA GLU 84 9.760 13.871 5.007 609 HB2 GLU 84 1HB GLU 84 10.975 16.661 4.817 610 HB3 GLU 84 2HB GLU 84 9.909 16.054 6.078 611 HG2 GLU 84 1HG GLU 84 11.633 14.488 6.827 612 HG3 GLU 84 2HG GLU 84 12.718 15.036 5.542 613 H THR 85 H THR 85 10.100 16.298 2.463 614 HA THR 85 HA THR 85 7.435 17.350 2.575 615 HB THR 85 HB THR 85 9.351 17.069 0.201 616 HG1 THR 85 1HG THR 85 10.279 18.229 1.854 617 HG21 THR 85 3HG2 THR 85 8.093 18.865 -0.855 618 HG22 THR 85 1HG2 THR 85 6.975 17.567 -0.487 619 HG23 THR 85 2HG2 THR 85 7.008 18.988 0.565 620 H MET 86 H MET 86 8.877 14.929 0.277 621 HA MET 86 HA MET 86 6.357 14.418 -0.943 622 HB2 MET 86 1HB MET 86 8.881 12.777 -0.939 623 HB3 MET 86 2HB MET 86 7.536 12.541 -2.019 624 HG2 MET 86 1HG MET 86 7.869 14.588 -3.153 625 HG3 MET 86 2HG MET 86 8.895 15.247 -1.887 626 HE1 MET 86 3HE MET 86 9.196 11.576 -3.386 627 HE2 MET 86 1HE MET 86 8.614 12.608 -4.728 628 HE3 MET 86 2HE MET 86 10.240 11.914 -4.770 629 H ALA 87 H ALA 87 8.074 12.830 1.758 630 HA ALA 87 HA ALA 87 6.239 10.640 2.123 631 HB1 ALA 87 1HB ALA 87 8.363 10.701 3.329 632 HB2 ALA 87 2HB ALA 87 7.931 12.232 4.110 633 HB3 ALA 87 3HB ALA 87 7.002 10.756 4.471 634 H GLN 88 H GLN 88 6.307 14.063 3.359 635 HA GLN 88 HA GLN 88 3.882 13.710 4.800 636 HB2 GLN 88 1HB GLN 88 5.669 15.837 4.370 637 HB3 GLN 88 2HB GLN 88 4.182 16.464 3.734 638 HG2 GLN 88 1HG GLN 88 3.851 15.016 6.326 639 HG3 GLN 88 2HG GLN 88 4.807 16.518 6.406 640 HE21 GLN 88 2HE2 GLN 88 1.817 15.136 5.029 641 HE22 GLN 88 1HE2 GLN 88 0.771 16.444 5.384 642 H GLN 89 H GLN 89 4.507 14.797 1.528 643 HA GLN 89 HA GLN 89 1.899 15.452 0.738 644 HB2 GLN 89 1HB GLN 89 3.877 13.890 -0.997 645 HB3 GLN 89 2HB GLN 89 2.419 14.716 -1.507 646 HG2 GLN 89 1HG GLN 89 3.408 16.861 -0.534 647 HG3 GLN 89 2HG GLN 89 4.924 15.960 -0.426 648 HE21 GLN 89 2HE2 GLN 89 2.455 17.074 -2.555 649 HE22 GLN 89 1HE2 GLN 89 3.418 17.290 -4.025 650 H LEU 90 H LEU 90 3.337 12.095 0.755 651 HA LEU 90 HA LEU 90 0.823 11.014 -0.178 652 HG LEU 90 HG LEU 90 4.131 10.607 -0.717 653 HB2 LEU 90 1HB LEU 90 3.147 9.576 1.183 654 HB3 LEU 90 2HB LEU 90 1.877 8.844 0.226 655 HD11 LEU 90 1HD1 LEU 90 4.712 8.254 -0.462 656 HD12 LEU 90 2HD1 LEU 90 3.381 7.809 -1.566 657 HD13 LEU 90 3HD1 LEU 90 4.760 8.809 -2.131 658 HD21 LEU 90 3HD2 LEU 90 3.282 10.446 -3.027 659 HD22 LEU 90 1HD2 LEU 90 1.734 9.837 -2.385 660 HD23 LEU 90 2HD2 LEU 90 2.323 11.472 -1.983 661 H VAL 91 H VAL 91 2.247 11.597 3.087 662 HA VAL 91 HA VAL 91 0.204 10.351 4.595 663 HB VAL 91 HB VAL 91 2.385 12.285 5.021 664 HG11 VAL 91 1HG1 VAL 91 1.676 13.063 7.216 665 HG12 VAL 91 2HG1 VAL 91 0.650 13.714 5.934 666 HG13 VAL 91 3HG1 VAL 91 0.055 12.379 6.957 667 HG21 VAL 91 3HG2 VAL 91 2.468 9.908 5.600 668 HG22 VAL 91 1HG2 VAL 91 2.706 10.966 7.011 669 HG23 VAL 91 2HG2 VAL 91 1.133 10.153 6.756 670 H ASP 92 H ASP 92 0.392 13.682 3.231 671 HA ASP 92 HA ASP 92 -2.132 14.624 4.101 672 HB2 ASP 92 1HB ASP 92 -0.277 15.951 3.022 673 HB3 ASP 92 2HB ASP 92 -0.771 15.296 1.470 674 H ILE 93 H ILE 93 -1.223 12.805 1.179 675 HA ILE 93 HA ILE 93 -3.763 12.790 -0.025 676 HB ILE 93 HB ILE 93 -1.567 10.688 -0.240 677 HG12 ILE 93 1HG1 ILE 93 -1.154 13.225 -0.942 678 HG13 ILE 93 2HG1 ILE 93 -0.515 11.872 -1.867 679 HG21 ILE 93 1HG2 ILE 93 -3.566 9.688 -1.087 680 HG22 ILE 93 2HG2 ILE 93 -3.992 11.161 -1.968 681 HG23 ILE 93 3HG2 ILE 93 -2.611 10.189 -2.497 682 HD11 ILE 93 3HD1 ILE 93 -3.067 13.366 -2.494 683 HD12 ILE 93 1HD1 ILE 93 -1.481 13.793 -3.128 684 HD13 ILE 93 2HD1 ILE 93 -2.168 12.218 -3.562 685 H ILE 94 H ILE 94 -2.343 10.485 2.325 686 HA ILE 94 HA ILE 94 -4.754 8.782 2.228 687 HB ILE 94 HB ILE 94 -2.458 7.843 2.451 688 HG12 ILE 94 1HG1 ILE 94 -3.241 6.220 4.300 689 HG13 ILE 94 2HG1 ILE 94 -4.775 7.113 4.272 690 HG21 ILE 94 1HG2 ILE 94 -2.687 8.761 5.322 691 HG22 ILE 94 2HG2 ILE 94 -1.436 7.708 4.644 692 HG23 ILE 94 3HG2 ILE 94 -1.564 9.385 4.100 693 HD11 ILE 94 3HD1 ILE 94 -4.803 5.082 2.897 694 HD12 ILE 94 1HD1 ILE 94 -4.971 6.511 1.843 695 HD13 ILE 94 2HD1 ILE 94 -3.411 5.645 1.974 696 H HIS 95 H HIS 95 -3.375 11.251 4.421 697 HA HIS 95 HA HIS 95 -5.489 10.947 6.328 698 HD1 HIS 95 HD1 HIS 95 -2.929 13.637 8.911 699 HD2 HIS 95 HD2 HIS 95 -3.297 9.887 6.989 700 HE1 HIS 95 HE1 HIS 95 -1.802 11.889 10.428 701 HE2 HIS 95 HE2 HIS 95 -2.057 9.577 9.143 702 HB2 HIS 95 1HB HIS 95 -3.543 13.224 5.789 703 HB3 HIS 95 2HB HIS 95 -4.819 13.365 6.967 704 H GLY 96 H GLY 96 -5.442 12.354 3.217 705 HA2 GLY 96 1HA GLY 96 -7.917 13.915 3.730 706 HA3 GLY 96 2HA GLY 96 -6.946 13.903 2.229 707 H CYS 97 H CYS 97 -6.772 11.037 1.804 708 HA CYS 97 HA CYS 97 -9.415 10.504 0.822 709 HB2 CYS 97 1HB CYS 97 -6.861 8.916 1.050 710 HB3 CYS 97 2HB CYS 97 -8.365 8.145 0.544 711 H GLU 98 H GLU 98 -7.738 9.460 3.828 712 HA GLU 98 HA GLU 98 -9.608 7.500 4.545 713 HB2 GLU 98 1HB GLU 98 -8.590 7.380 6.621 714 HB3 GLU 98 2HB GLU 98 -7.284 7.924 5.564 715 HG2 GLU 98 1HG GLU 98 -7.800 10.277 6.227 716 HG3 GLU 98 2HG GLU 98 -9.016 9.576 7.311 717 H LYS 99 H LYS 99 -9.491 10.909 5.243 718 HA LYS 99 HA LYS 99 -11.909 10.987 6.786 719 HB2 LYS 99 1HB LYS 99 -11.346 13.265 7.152 720 HB3 LYS 99 2HB LYS 99 -9.834 12.335 7.078 721 HG2 LYS 99 1HG LYS 99 -9.227 14.189 5.999 722 HG3 LYS 99 2HG LYS 99 -9.562 13.027 4.770 723 HD2 LYS 99 1HD LYS 99 -10.453 14.972 3.931 724 HD3 LYS 99 2HD LYS 99 -11.900 14.205 4.632 725 HE2 LYS 99 1HE LYS 99 -11.670 15.537 6.678 726 HE3 LYS 99 2HE LYS 99 -10.187 16.280 6.043 727 HZ1 LYS 99 3HZ LYS 99 -11.809 17.807 5.573 728 HZ2 LYS 99 1HZ LYS 99 -11.647 17.043 4.138 729 HZ3 LYS 99 2HZ LYS 99 -12.939 16.699 5.104 730 H SER 100 H SER 100 -11.078 11.910 3.435 731 HA SER 100 HA SER 100 -13.709 12.970 2.958 732 HG SER 100 HG SER 100 -12.326 14.781 0.580 733 HB2 SER 100 1HB SER 100 -11.376 13.663 2.013 734 HB3 SER 100 2HB SER 100 -11.707 12.438 0.772 735 H ALA 101 H ALA 101 -12.663 9.778 3.051 736 HA ALA 101 HA ALA 101 -13.657 8.332 1.093 737 HB1 ALA 101 1HB ALA 101 -14.046 6.648 2.952 738 HB2 ALA 101 2HB ALA 101 -12.554 7.566 3.177 739 HB3 ALA 101 3HB ALA 101 -14.022 7.995 4.089 740 HA PRO 102 HA PRO 102 -18.149 8.390 1.096 741 HB2 PRO 102 1HB PRO 102 -18.701 5.751 0.458 742 HB3 PRO 102 2HB PRO 102 -18.108 6.993 -0.695 743 HG2 PRO 102 1HG PRO 102 -16.565 4.820 0.679 744 HG3 PRO 102 2HG PRO 102 -16.415 5.439 -0.994 745 HD2 PRO 102 1HD PRO 102 -14.785 6.147 1.094 746 HD3 PRO 102 2HD PRO 102 -15.027 7.196 -0.320 747 HA PRO 103 HA PRO 103 -19.351 6.916 5.097 748 HB2 PRO 103 1HB PRO 103 -21.984 6.736 5.020 749 HB3 PRO 103 2HB PRO 103 -21.144 8.298 4.672 750 HG2 PRO 103 1HG PRO 103 -22.251 6.291 2.647 751 HG3 PRO 103 2HG PRO 103 -22.482 8.056 2.648 752 HD2 PRO 103 1HD PRO 103 -20.531 6.783 1.209 753 HD3 PRO 103 2HD PRO 103 -20.336 8.448 1.842 754 H ASN 104 H ASN 104 -18.222 4.845 5.023 755 HA ASN 104 HA ASN 104 -19.908 2.598 5.322 756 HB2 ASN 104 1HB ASN 104 -18.599 1.169 3.859 757 HB3 ASN 104 2HB ASN 104 -19.352 2.421 2.896 758 HD21 ASN 104 2HD2 ASN 104 -16.971 0.736 2.461 759 HD22 ASN 104 1HD2 ASN 104 -15.919 1.879 1.731 760 H ASP 105 H ASP 105 -18.678 1.198 6.732 761 HA ASP 105 HA ASP 105 -15.967 2.050 7.362 762 HB2 ASP 105 1HB ASP 105 -16.692 3.479 8.801 763 HB3 ASP 105 2HB ASP 105 -18.261 2.705 9.083 764 H ASP 106 H ASP 106 -14.841 0.358 7.556 765 HA ASP 106 HA ASP 106 -15.615 -2.241 8.721 766 HB2 ASP 106 1HB ASP 106 -16.337 -2.195 6.113 767 HB3 ASP 106 2HB ASP 106 -14.611 -2.103 5.869 768 H LYS 107 H LYS 107 -13.634 -3.779 8.300 769 HA LYS 107 HA LYS 107 -11.141 -2.197 8.433 770 HB2 LYS 107 1HB LYS 107 -11.833 -5.040 9.159 771 HB3 LYS 107 2HB LYS 107 -10.135 -4.605 8.919 772 HG2 LYS 107 1HG LYS 107 -11.814 -2.999 10.806 773 HG3 LYS 107 2HG LYS 107 -11.119 -4.572 11.269 774 HD2 LYS 107 1HD LYS 107 -9.651 -2.897 12.087 775 HD3 LYS 107 2HD LYS 107 -8.859 -3.811 10.815 776 HE2 LYS 107 1HE LYS 107 -9.434 -1.907 9.222 777 HE3 LYS 107 2HE LYS 107 -10.004 -0.993 10.632 778 HZ1 LYS 107 3HZ LYS 107 -7.247 -1.975 10.103 779 HZ2 LYS 107 1HZ LYS 107 -7.734 -0.432 10.127 780 HZ3 LYS 107 2HZ LYS 107 -7.724 -1.234 11.520 781 H CYS 108 H CYS 108 -12.926 -3.436 5.833 782 HA CYS 108 HA CYS 108 -10.434 -4.267 4.477 783 HB2 CYS 108 1HB CYS 108 -13.054 -5.786 4.283 784 HB3 CYS 108 2HB CYS 108 -11.633 -5.988 3.277 785 H MET 109 H MET 109 -13.938 -3.692 4.305 786 HA MET 109 HA MET 109 -14.061 -2.598 1.820 787 HB2 MET 109 1HB MET 109 -15.943 -3.029 3.635 788 HB3 MET 109 2HB MET 109 -15.673 -1.400 4.115 789 HG2 MET 109 1HG MET 109 -17.388 -1.217 2.634 790 HG3 MET 109 2HG MET 109 -15.856 -0.730 1.895 791 HE1 MET 109 3HE MET 109 -14.845 -1.655 -0.079 792 HE2 MET 109 1HE MET 109 -14.702 -3.420 0.134 793 HE3 MET 109 2HE MET 109 -15.561 -2.770 -1.256 794 H LYS 110 H LYS 110 -13.640 -0.704 4.871 795 HA LYS 110 HA LYS 110 -14.033 1.546 3.364 796 HB2 LYS 110 1HB LYS 110 -14.583 1.573 5.689 797 HB3 LYS 110 2HB LYS 110 -12.947 1.149 6.190 798 HG2 LYS 110 1HG LYS 110 -13.450 3.400 6.806 799 HG3 LYS 110 2HG LYS 110 -12.123 3.384 5.638 800 HD2 LYS 110 1HD LYS 110 -13.365 4.456 4.021 801 HD3 LYS 110 2HD LYS 110 -14.828 3.596 4.451 802 HE2 LYS 110 1HE LYS 110 -15.293 5.851 4.964 803 HE3 LYS 110 2HE LYS 110 -15.124 4.984 6.488 804 HZ1 LYS 110 3HZ LYS 110 -13.968 7.121 6.530 805 HZ2 LYS 110 1HZ LYS 110 -12.832 5.924 6.651 806 HZ3 LYS 110 2HZ LYS 110 -13.049 6.749 5.280 807 H THR 111 H THR 111 -11.221 -0.042 4.463 808 HA THR 111 HA THR 111 -9.004 1.467 3.637 809 HB THR 111 HB THR 111 -9.599 -1.493 3.930 810 HG1 THR 111 1HG THR 111 -8.643 0.578 5.585 811 HG21 THR 111 3HG2 THR 111 -7.641 -1.422 2.504 812 HG22 THR 111 1HG2 THR 111 -6.834 -0.297 3.624 813 HG23 THR 111 2HG2 THR 111 -7.218 -1.961 4.129 814 H ILE 112 H ILE 112 -11.120 -0.700 1.637 815 HA ILE 112 HA ILE 112 -9.445 -0.424 -0.696 816 HB ILE 112 HB ILE 112 -12.299 -1.278 -0.186 817 HG12 ILE 112 1HG1 ILE 112 -10.267 -2.696 -1.891 818 HG13 ILE 112 2HG1 ILE 112 -10.017 -2.648 -0.147 819 HG21 ILE 112 1HG2 ILE 112 -12.768 -0.021 -2.133 820 HG22 ILE 112 2HG2 ILE 112 -11.270 -0.538 -2.922 821 HG23 ILE 112 3HG2 ILE 112 -12.590 -1.694 -2.671 822 HD11 ILE 112 3HD1 ILE 112 -11.293 -4.634 -0.819 823 HD12 ILE 112 1HD1 ILE 112 -12.226 -3.590 0.268 824 HD13 ILE 112 2HD1 ILE 112 -12.573 -3.610 -1.481 825 H ASP 113 H ASP 113 -12.377 1.361 0.441 826 HA ASP 113 HA ASP 113 -12.513 3.132 -1.703 827 HB2 ASP 113 1HB ASP 113 -13.459 3.329 1.154 828 HB3 ASP 113 2HB ASP 113 -13.679 4.640 0.001 829 H VAL 114 H VAL 114 -10.823 3.590 1.411 830 HA VAL 114 HA VAL 114 -9.709 6.125 0.790 831 HB VAL 114 HB VAL 114 -8.928 3.995 2.824 832 HG11 VAL 114 1HG1 VAL 114 -8.020 6.017 4.167 833 HG12 VAL 114 2HG1 VAL 114 -7.042 5.487 2.791 834 HG13 VAL 114 3HG1 VAL 114 -8.067 6.919 2.655 835 HG21 VAL 114 3HG2 VAL 114 -11.274 4.896 3.020 836 HG22 VAL 114 1HG2 VAL 114 -10.273 5.396 4.376 837 HG23 VAL 114 2HG2 VAL 114 -10.633 6.509 3.017 838 H ALA 115 H ALA 115 -8.381 2.783 0.267 839 HA ALA 115 HA ALA 115 -5.851 3.673 -0.719 840 HB1 ALA 115 1HB ALA 115 -5.657 1.371 -1.579 841 HB2 ALA 115 2HB ALA 115 -6.304 1.365 0.083 842 HB3 ALA 115 3HB ALA 115 -7.388 1.109 -1.288 843 H MET 116 H MET 116 -8.966 2.950 -2.386 844 HA MET 116 HA MET 116 -7.790 3.253 -5.002 845 HB2 MET 116 1HB MET 116 -9.989 3.086 -5.937 846 HB3 MET 116 2HB MET 116 -9.786 1.875 -4.672 847 HG2 MET 116 1HG MET 116 -11.318 2.884 -3.282 848 HG3 MET 116 2HG MET 116 -11.208 4.460 -4.031 849 HE1 MET 116 3HE MET 116 -11.555 1.054 -6.024 850 HE2 MET 116 1HE MET 116 -12.503 0.737 -4.551 851 HE3 MET 116 2HE MET 116 -13.323 0.896 -6.116 852 H CYS 117 H CYS 117 -9.536 5.401 -2.763 853 HA CYS 117 HA CYS 117 -9.657 7.739 -4.310 854 HB2 CYS 117 1HB CYS 117 -10.776 7.573 -2.193 855 HB3 CYS 117 2HB CYS 117 -9.290 7.259 -1.338 856 H PHE 118 H PHE 118 -7.000 6.540 -2.132 857 HA PHE 118 HA PHE 118 -5.216 8.595 -2.458 858 HD1 PHE 118 HD2 PHE 118 -2.406 7.089 -3.960 859 HD2 PHE 118 HD1 PHE 118 -3.116 7.093 0.316 860 HE1 PHE 118 HE2 PHE 118 -0.079 7.837 -3.516 861 HE2 PHE 118 HE1 PHE 118 -0.732 7.645 0.686 862 HZ PHE 118 HZ PHE 118 0.772 7.972 -1.352 863 HB2 PHE 118 1HB PHE 118 -4.897 6.542 -1.051 864 HB3 PHE 118 2HB PHE 118 -4.438 5.659 -2.495 865 H LYS 119 H LYS 119 -5.574 5.784 -4.673 866 HA LYS 119 HA LYS 119 -3.626 6.622 -6.540 867 HB2 LYS 119 1HB LYS 119 -5.132 4.387 -6.339 868 HB3 LYS 119 2HB LYS 119 -6.142 5.252 -7.487 869 HG2 LYS 119 1HG LYS 119 -4.721 4.055 -8.896 870 HG3 LYS 119 2HG LYS 119 -3.969 5.646 -8.850 871 HD2 LYS 119 1HD LYS 119 -2.178 4.078 -8.568 872 HD3 LYS 119 2HD LYS 119 -2.479 4.714 -6.950 873 HE2 LYS 119 1HE LYS 119 -4.184 2.607 -6.880 874 HE3 LYS 119 2HE LYS 119 -3.066 2.002 -8.111 875 HZ1 LYS 119 3HZ LYS 119 -2.360 1.301 -5.949 876 HZ2 LYS 119 1HZ LYS 119 -1.270 2.442 -6.454 877 HZ3 LYS 119 2HZ LYS 119 -2.447 2.829 -5.350 878 H LYS 120 H LYS 120 -7.063 7.657 -6.254 879 HA LYS 120 HA LYS 120 -7.007 9.072 -8.798 880 HB2 LYS 120 1HB LYS 120 -8.903 8.955 -6.438 881 HB3 LYS 120 2HB LYS 120 -8.924 10.376 -7.456 882 HG2 LYS 120 1HG LYS 120 -10.565 9.019 -8.328 883 HG3 LYS 120 2HG LYS 120 -9.231 8.932 -9.468 884 HD2 LYS 120 1HD LYS 120 -9.633 6.791 -7.368 885 HD3 LYS 120 2HD LYS 120 -10.618 6.793 -8.813 886 HE2 LYS 120 1HE LYS 120 -7.584 6.815 -8.964 887 HE3 LYS 120 2HE LYS 120 -8.528 5.329 -8.817 888 HZ1 LYS 120 3HZ LYS 120 -9.652 5.904 -10.881 889 HZ2 LYS 120 1HZ LYS 120 -8.715 7.235 -11.058 890 HZ3 LYS 120 2HZ LYS 120 -8.031 5.727 -11.058 891 H GLU 121 H GLU 121 -6.342 9.987 -5.356 892 HA GLU 121 HA GLU 121 -5.880 12.774 -5.946 893 HB2 GLU 121 1HB GLU 121 -5.402 10.890 -3.656 894 HB3 GLU 121 2HB GLU 121 -4.622 12.472 -3.664 895 HG2 GLU 121 1HG GLU 121 -7.613 12.142 -3.924 896 HG3 GLU 121 2HG GLU 121 -6.770 12.303 -2.382 897 H ILE 122 H ILE 122 -3.832 9.963 -6.633 898 HA ILE 122 HA ILE 122 -1.408 11.455 -6.556 899 HB ILE 122 HB ILE 122 -2.268 9.043 -8.165 900 HG12 ILE 122 1HG1 ILE 122 -0.794 9.484 -5.541 901 HG13 ILE 122 2HG1 ILE 122 -2.265 8.606 -5.830 902 HG21 ILE 122 1HG2 ILE 122 0.080 8.621 -8.674 903 HG22 ILE 122 2HG2 ILE 122 -0.419 10.166 -9.342 904 HG23 ILE 122 3HG2 ILE 122 0.538 10.147 -7.859 905 HD11 ILE 122 3HD1 ILE 122 -0.497 7.054 -5.313 906 HD12 ILE 122 1HD1 ILE 122 -1.096 6.804 -6.962 907 HD13 ILE 122 2HD1 ILE 122 0.454 7.639 -6.661 908 H HIS 123 H HIS 123 -4.191 11.658 -8.726 909 HA HIS 123 HA HIS 123 -3.020 12.957 -10.930 910 HD1 HIS 123 HD1 HIS 123 -6.935 13.015 -12.606 911 HD2 HIS 123 HD2 HIS 123 -4.826 10.218 -10.270 912 HE1 HIS 123 HE1 HIS 123 -7.664 10.645 -13.429 913 HE2 HIS 123 HE2 HIS 123 -6.339 8.962 -11.984 914 HB2 HIS 123 1HB HIS 123 -5.736 13.301 -9.570 915 HB3 HIS 123 2HB HIS 123 -5.276 14.064 -11.049 916 H LYS 124 H LYS 124 -3.341 14.174 -7.571 917 HA LYS 124 HA LYS 124 -2.933 16.934 -8.643 918 HB2 LYS 124 1HB LYS 124 -4.035 17.808 -6.702 919 HB3 LYS 124 2HB LYS 124 -5.066 16.754 -7.636 920 HG2 LYS 124 1HG LYS 124 -5.617 16.090 -5.510 921 HG3 LYS 124 2HG LYS 124 -4.420 14.914 -5.932 922 HD2 LYS 124 1HD LYS 124 -3.711 15.436 -3.826 923 HD3 LYS 124 2HD LYS 124 -2.738 16.592 -4.726 924 HE2 LYS 124 1HE LYS 124 -4.743 18.219 -4.468 925 HE3 LYS 124 2HE LYS 124 -5.377 17.049 -3.292 926 HZ1 LYS 124 3HZ LYS 124 -4.202 18.733 -2.154 927 HZ2 LYS 124 1HZ LYS 124 -3.287 17.364 -2.064 928 HZ3 LYS 124 2HZ LYS 124 -2.845 18.579 -3.084 929 H LEU 125 H LEU 125 -1.207 14.405 -7.360 930 HA LEU 125 HA LEU 125 0.651 15.971 -5.727 931 HG LEU 125 HG LEU 125 -0.484 13.346 -5.092 932 HB2 LEU 125 1HB LEU 125 0.938 13.344 -7.243 933 HB3 LEU 125 2HB LEU 125 2.205 14.053 -6.272 934 HD11 LEU 125 1HD1 LEU 125 2.129 11.812 -5.071 935 HD12 LEU 125 2HD1 LEU 125 0.600 11.357 -4.235 936 HD13 LEU 125 3HD1 LEU 125 0.676 11.391 -6.005 937 HD21 LEU 125 3HD2 LEU 125 0.871 13.443 -2.947 938 HD22 LEU 125 1HD2 LEU 125 2.245 14.040 -3.882 939 HD23 LEU 125 2HD2 LEU 125 0.768 15.009 -3.755 940 H ASN 126 H ASN 126 0.253 15.084 -9.129 941 HA ASN 126 HA ASN 126 1.016 15.988 -11.030 942 HB2 ASN 126 1HB ASN 126 2.998 17.894 -9.909 943 HB3 ASN 126 2HB ASN 126 1.930 18.061 -11.292 944 HD21 ASN 126 2HD2 ASN 126 -0.670 17.685 -10.043 945 HD22 ASN 126 1HD2 ASN 126 -0.788 18.758 -8.675 946 H TRP 127 H TRP 127 2.712 14.408 -8.751 947 HA TRP 127 HA TRP 127 4.680 13.493 -10.764 948 HD1 TRP 127 HD1 TRP 127 4.223 15.471 -7.028 949 HE1 TRP 127 HE1 TRP 127 4.370 14.877 -4.548 950 HE3 TRP 127 HE3 TRP 127 6.890 11.118 -7.387 951 HZ2 TRP 127 HZ2 TRP 127 5.095 12.648 -2.983 952 HZ3 TRP 127 HZ3 TRP 127 7.451 9.870 -5.299 953 HH2 TRP 127 HH2 TRP 127 6.494 10.558 -3.107 954 HB2 TRP 127 1HB TRP 127 6.321 12.987 -9.072 955 HB3 TRP 127 2HB TRP 127 5.935 14.690 -9.053 956 H VAL 128 H VAL 128 5.454 11.256 -10.227 957 HA VAL 128 HA VAL 128 3.056 9.603 -9.603 958 HB VAL 128 HB VAL 128 5.110 9.197 -11.758 959 HG11 VAL 128 1HG1 VAL 128 4.427 7.017 -10.780 960 HG12 VAL 128 2HG1 VAL 128 2.720 7.490 -10.878 961 HG13 VAL 128 3HG1 VAL 128 3.668 7.221 -12.361 962 HG21 VAL 128 3HG2 VAL 128 3.135 9.412 -13.257 963 HG22 VAL 128 1HG2 VAL 128 2.097 9.725 -11.849 964 HG23 VAL 128 2HG2 VAL 128 3.364 10.883 -12.302 965 HA PRO 129 HA PRO 129 6.284 8.521 -6.588 966 HB2 PRO 129 1HB PRO 129 4.545 7.172 -4.840 967 HB3 PRO 129 2HB PRO 129 4.924 8.908 -4.781 968 HG2 PRO 129 1HG PRO 129 2.578 7.561 -6.058 969 HG3 PRO 129 2HG PRO 129 2.597 9.071 -5.097 970 HD2 PRO 129 1HD PRO 129 2.462 8.966 -7.795 971 HD3 PRO 129 2HD PRO 129 3.379 10.276 -6.995 972 H ASN 130 H ASN 130 7.081 6.506 -5.718 973 HA ASN 130 HA ASN 130 7.320 4.449 -7.693 974 HB2 ASN 130 1HB ASN 130 8.095 4.532 -4.745 975 HB3 ASN 130 2HB ASN 130 8.464 3.203 -5.809 976 HD21 ASN 130 2HD2 ASN 130 10.136 5.565 -4.453 977 HD22 ASN 130 1HD2 ASN 130 11.177 6.055 -5.767 978 H MET 131 H MET 131 6.765 2.152 -7.435 979 HA MET 131 HA MET 131 4.163 1.381 -6.663 980 HB2 MET 131 1HB MET 131 6.871 0.000 -6.790 981 HB3 MET 131 2HB MET 131 5.499 -0.865 -6.176 982 HG2 MET 131 1HG MET 131 5.656 0.401 -8.941 983 HG3 MET 131 2HG MET 131 5.939 -1.300 -8.569 984 HE1 MET 131 3HE MET 131 3.336 -1.466 -6.255 985 HE2 MET 131 1HE MET 131 2.359 -2.467 -7.332 986 HE3 MET 131 2HE MET 131 4.110 -2.752 -7.219 987 H ASP 132 H ASP 132 7.232 1.240 -4.909 988 HA ASP 132 HA ASP 132 6.504 0.043 -2.569 989 HB2 ASP 132 1HB ASP 132 8.681 2.150 -2.815 990 HB3 ASP 132 2HB ASP 132 8.640 0.733 -1.751 991 H LEU 133 H LEU 133 6.931 3.612 -3.110 992 HA LEU 133 HA LEU 133 6.105 4.664 -0.752 993 HG LEU 133 HG LEU 133 6.473 7.580 -1.765 994 HB2 LEU 133 1HB LEU 133 6.156 5.404 -3.671 995 HB3 LEU 133 2HB LEU 133 5.005 6.318 -2.746 996 HD11 LEU 133 1HD1 LEU 133 7.477 6.237 -0.271 997 HD12 LEU 133 2HD1 LEU 133 8.477 5.388 -1.508 998 HD13 LEU 133 3HD1 LEU 133 8.769 7.101 -1.083 999 HD21 LEU 133 3HD2 LEU 133 8.349 8.223 -3.131 1000 HD22 LEU 133 1HD2 LEU 133 8.345 6.654 -3.946 1001 HD23 LEU 133 2HD2 LEU 133 6.987 7.794 -4.150 1002 H VAL 134 H VAL 134 3.914 4.009 -3.557 1003 HA VAL 134 HA VAL 134 1.632 5.006 -2.102 1004 HB VAL 134 HB VAL 134 1.856 3.359 -4.639 1005 HG11 VAL 134 1HG1 VAL 134 -0.437 3.201 -3.837 1006 HG12 VAL 134 2HG1 VAL 134 -0.462 4.932 -3.452 1007 HG13 VAL 134 3HG1 VAL 134 -0.421 4.394 -5.146 1008 HG21 VAL 134 3HG2 VAL 134 3.037 5.437 -4.871 1009 HG22 VAL 134 1HG2 VAL 134 1.549 5.485 -5.803 1010 HG23 VAL 134 2HG2 VAL 134 1.647 6.339 -4.234 1011 H ILE 135 H ILE 135 2.978 1.702 -2.542 1012 HA ILE 135 HA ILE 135 0.674 0.436 -1.307 1013 HB ILE 135 HB ILE 135 3.556 -0.549 -1.573 1014 HG12 ILE 135 1HG1 ILE 135 1.142 -1.605 -3.049 1015 HG13 ILE 135 2HG1 ILE 135 2.106 -0.298 -3.730 1016 HG21 ILE 135 1HG2 ILE 135 1.020 -1.649 -0.342 1017 HG22 ILE 135 2HG2 ILE 135 2.097 -2.793 -1.145 1018 HG23 ILE 135 3HG2 ILE 135 2.705 -1.807 0.190 1019 HD11 ILE 135 3HD1 ILE 135 3.291 -3.000 -2.948 1020 HD12 ILE 135 1HD1 ILE 135 2.701 -2.596 -4.551 1021 HD13 ILE 135 2HD1 ILE 135 4.068 -1.692 -3.860 1022 H GLY 136 H GLY 136 4.004 1.118 -0.135 1023 HA2 GLY 136 1HA GLY 136 3.825 0.575 2.488 1024 HA3 GLY 136 2HA GLY 136 4.787 1.916 1.853 1025 H GLU 137 H GLU 137 2.775 3.791 1.103 1026 HA GLU 137 HA GLU 137 2.217 4.801 3.727 1027 HB2 GLU 137 1HB GLU 137 2.792 6.106 1.597 1028 HB3 GLU 137 2HB GLU 137 1.115 5.846 1.100 1029 HG2 GLU 137 1HG GLU 137 1.310 8.018 2.129 1030 HG3 GLU 137 2HG GLU 137 0.365 7.027 3.178 1031 H VAL 138 H VAL 138 0.238 2.892 1.435 1032 HA VAL 138 HA VAL 138 -2.165 3.416 2.890 1033 HB VAL 138 HB VAL 138 -1.743 2.265 0.474 1034 HG11 VAL 138 1HG1 VAL 138 -2.462 -0.109 2.226 1035 HG12 VAL 138 2HG1 VAL 138 -2.689 -0.013 0.469 1036 HG13 VAL 138 3HG1 VAL 138 -1.069 0.022 1.126 1037 HG21 VAL 138 3HG2 VAL 138 -4.149 1.747 0.593 1038 HG22 VAL 138 1HG2 VAL 138 -4.066 1.823 2.374 1039 HG23 VAL 138 2HG2 VAL 138 -3.776 3.285 1.391 1040 H LEU 139 H LEU 139 0.177 0.526 3.074 1041 HA LEU 139 HA LEU 139 -1.037 -0.654 5.222 1042 HG LEU 139 HG LEU 139 1.287 -2.874 4.464 1043 HB2 LEU 139 1HB LEU 139 1.933 -0.233 4.651 1044 HB3 LEU 139 2HB LEU 139 1.248 -1.321 5.825 1045 HD11 LEU 139 1HD1 LEU 139 -0.585 -1.582 2.531 1046 HD12 LEU 139 2HD1 LEU 139 -0.191 -3.298 2.626 1047 HD13 LEU 139 3HD1 LEU 139 -1.055 -2.533 3.958 1048 HD21 LEU 139 3HD2 LEU 139 2.000 -1.065 2.209 1049 HD22 LEU 139 1HD2 LEU 139 3.123 -1.855 3.333 1050 HD23 LEU 139 2HD2 LEU 139 2.177 -2.843 2.216 1051 H ALA 140 H ALA 140 1.295 1.992 5.257 1052 HA ALA 140 HA ALA 140 1.726 2.113 8.014 1053 HB1 ALA 140 1HB ALA 140 3.065 3.444 6.428 1054 HB2 ALA 140 2HB ALA 140 1.645 4.416 5.995 1055 HB3 ALA 140 3HB ALA 140 2.325 4.544 7.612 1056 H GLU 141 H GLU 141 -0.857 3.929 6.177 1057 HA GLU 141 HA GLU 141 -1.889 4.968 8.691 1058 HB2 GLU 141 1HB GLU 141 -1.911 6.010 6.303 1059 HB3 GLU 141 2HB GLU 141 -3.317 4.986 6.026 1060 HG2 GLU 141 1HG GLU 141 -3.807 7.390 6.625 1061 HG3 GLU 141 2HG GLU 141 -4.625 6.248 7.675 1062 H VAL 142 H VAL 142 -2.524 2.135 6.759 1063 HA VAL 142 HA VAL 142 -5.165 1.659 7.866 1064 HB VAL 142 HB VAL 142 -3.381 0.161 5.903 1065 HG11 VAL 142 1HG1 VAL 142 -6.301 -0.369 6.436 1066 HG12 VAL 142 2HG1 VAL 142 -5.271 -1.174 5.245 1067 HG13 VAL 142 3HG1 VAL 142 -4.996 -1.479 6.957 1068 HG21 VAL 142 3HG2 VAL 142 -4.382 2.386 5.171 1069 HG22 VAL 142 1HG2 VAL 142 -4.991 1.008 4.255 1070 HG23 VAL 142 2HG2 VAL 142 -5.976 1.747 5.536 Start of MODEL 4 1 HA SER 1 HA SER 1 28.237 -6.931 -2.838 2 HG SER 1 HG SER 1 28.838 -3.729 -2.442 3 H1 SER 1 H SER 1 29.919 -7.456 -4.428 4 HB2 SER 1 1HB SER 1 29.369 -4.914 -4.552 5 HB3 SER 1 2HB SER 1 27.753 -4.408 -4.105 6 HA PRO 2 HA PRO 2 23.917 -7.119 -3.845 7 HB2 PRO 2 1HB PRO 2 23.599 -4.371 -2.667 8 HB3 PRO 2 2HB PRO 2 22.717 -5.869 -2.254 9 HG2 PRO 2 1HG PRO 2 24.627 -4.910 -0.587 10 HG3 PRO 2 2HG PRO 2 24.581 -6.668 -0.954 11 HD2 PRO 2 1HD PRO 2 26.264 -4.520 -2.304 12 HD3 PRO 2 2HD PRO 2 26.838 -6.052 -1.608 13 H GLU 3 H GLU 3 22.558 -6.416 -5.595 14 HA GLU 3 HA GLU 3 23.387 -3.991 -7.060 15 HB2 GLU 3 1HB GLU 3 24.818 -6.049 -7.695 16 HB3 GLU 3 2HB GLU 3 23.368 -6.714 -8.425 17 HG2 GLU 3 1HG GLU 3 24.557 -5.623 -10.163 18 HG3 GLU 3 2HG GLU 3 23.206 -4.540 -9.782 19 H ILE 4 H ILE 4 21.447 -6.843 -8.034 20 HA ILE 4 HA ILE 4 18.949 -5.250 -7.851 21 HB ILE 4 HB ILE 4 18.137 -6.367 -9.876 22 HG12 ILE 4 1HG1 ILE 4 21.038 -7.040 -10.538 23 HG13 ILE 4 2HG1 ILE 4 19.927 -8.225 -9.841 24 HG21 ILE 4 1HG2 ILE 4 20.550 -4.553 -10.301 25 HG22 ILE 4 2HG2 ILE 4 19.218 -4.817 -11.445 26 HG23 ILE 4 3HG2 ILE 4 18.890 -4.050 -9.904 27 HD11 ILE 4 3HD1 ILE 4 19.913 -8.491 -12.235 28 HD12 ILE 4 1HD1 ILE 4 18.339 -7.845 -11.708 29 HD13 ILE 4 2HD1 ILE 4 19.536 -6.775 -12.480 30 H MET 5 H MET 5 20.040 -6.830 -5.887 31 HA MET 5 HA MET 5 18.706 -9.486 -6.047 32 HB2 MET 5 1HB MET 5 20.796 -8.373 -4.124 33 HB3 MET 5 2HB MET 5 19.978 -9.924 -3.917 34 HG2 MET 5 1HG MET 5 20.822 -10.603 -6.199 35 HG3 MET 5 2HG MET 5 21.746 -9.109 -6.251 36 HE1 MET 5 3HE MET 5 21.144 -11.661 -3.172 37 HE2 MET 5 1HE MET 5 21.269 -12.629 -4.662 38 HE3 MET 5 2HE MET 5 22.544 -12.707 -3.432 39 H LYS 6 H LYS 6 17.344 -10.144 -4.419 40 HA LYS 6 HA LYS 6 15.304 -9.791 -3.308 41 HB2 LYS 6 1HB LYS 6 17.585 -9.318 -1.378 42 HB3 LYS 6 2HB LYS 6 15.918 -9.693 -0.916 43 HG2 LYS 6 1HG LYS 6 16.021 -11.834 -2.175 44 HG3 LYS 6 2HG LYS 6 17.732 -11.512 -2.555 45 HD2 LYS 6 1HD LYS 6 18.242 -11.383 -0.150 46 HD3 LYS 6 2HD LYS 6 16.547 -11.673 0.243 47 HE2 LYS 6 1HE LYS 6 16.680 -13.915 -0.822 48 HE3 LYS 6 2HE LYS 6 18.382 -13.619 -1.219 49 HZ1 LYS 6 3HZ LYS 6 18.301 -14.862 0.744 50 HZ2 LYS 6 1HZ LYS 6 18.755 -13.341 1.194 51 HZ3 LYS 6 2HZ LYS 6 17.208 -13.863 1.472 52 H ASN 7 H ASN 7 14.442 -7.893 -4.412 53 HA ASN 7 HA ASN 7 14.898 -5.354 -2.977 54 HB2 ASN 7 1HB ASN 7 14.495 -4.162 -5.050 55 HB3 ASN 7 2HB ASN 7 16.069 -4.957 -4.868 56 HD21 ASN 7 2HD2 ASN 7 16.168 -7.192 -5.843 57 HD22 ASN 7 1HD2 ASN 7 15.280 -7.418 -7.347 58 H LEU 8 H LEU 8 13.098 -5.119 -1.822 59 HA LEU 8 HA LEU 8 11.053 -5.560 -1.106 60 HG LEU 8 HG LEU 8 9.757 -2.253 -0.777 61 HB2 LEU 8 1HB LEU 8 11.522 -3.098 -2.212 62 HB3 LEU 8 2HB LEU 8 9.959 -3.485 -2.861 63 HD11 LEU 8 1HD1 LEU 8 8.902 -5.104 -0.265 64 HD12 LEU 8 2HD1 LEU 8 8.402 -3.685 0.666 65 HD13 LEU 8 3HD1 LEU 8 7.995 -3.787 -1.053 66 HD21 LEU 8 3HD2 LEU 8 11.265 -4.481 0.663 67 HD22 LEU 8 1HD2 LEU 8 11.966 -2.920 0.156 68 HD23 LEU 8 2HD2 LEU 8 10.639 -2.985 1.333 69 H SER 9 H SER 9 11.504 -7.473 -2.877 70 HA SER 9 HA SER 9 8.806 -8.003 -4.026 71 HG SER 9 HG SER 9 8.919 -9.329 -5.970 72 HB2 SER 9 1HB SER 9 10.553 -7.649 -5.700 73 HB3 SER 9 2HB SER 9 11.534 -8.918 -4.965 74 H ASN 10 H ASN 10 11.572 -10.142 -3.080 75 HA ASN 10 HA ASN 10 10.125 -12.241 -2.245 76 HB2 ASN 10 1HB ASN 10 11.672 -12.903 -0.583 77 HB3 ASN 10 2HB ASN 10 12.560 -12.371 -2.035 78 HD21 ASN 10 2HD2 ASN 10 12.844 -9.620 -1.604 79 HD22 ASN 10 1HD2 ASN 10 13.560 -9.345 -0.041 80 H ASN 11 H ASN 11 10.920 -9.699 -0.039 81 HA ASN 11 HA ASN 11 9.537 -10.649 2.196 82 HB2 ASN 11 1HB ASN 11 9.428 -8.000 2.679 83 HB3 ASN 11 2HB ASN 11 10.856 -8.884 2.911 84 HD21 ASN 11 2HD2 ASN 11 12.516 -7.243 2.237 85 HD22 ASN 11 1HD2 ASN 11 12.500 -6.576 0.642 86 H PHE 12 H PHE 12 8.607 -8.202 -0.225 87 HA PHE 12 HA PHE 12 6.138 -7.524 0.721 88 HD1 PHE 12 HD1 PHE 12 4.147 -6.816 0.003 89 HD2 PHE 12 HD2 PHE 12 6.805 -4.865 -2.782 90 HE1 PHE 12 HE1 PHE 12 3.042 -4.669 0.449 91 HE2 PHE 12 HE2 PHE 12 5.708 -2.713 -2.326 92 HZ PHE 12 HZ PHE 12 3.992 -2.545 -0.588 93 HB2 PHE 12 1HB PHE 12 7.577 -6.743 -1.378 94 HB3 PHE 12 2HB PHE 12 6.448 -7.731 -2.283 95 H GLY 13 H GLY 13 6.922 -10.034 -1.728 96 HA2 GLY 13 1HA GLY 13 4.276 -10.985 -2.097 97 HA3 GLY 13 2HA GLY 13 5.779 -11.818 -2.526 98 H LYS 14 H LYS 14 6.858 -11.865 0.360 99 HA LYS 14 HA LYS 14 5.655 -14.332 1.106 100 HB2 LYS 14 1HB LYS 14 7.957 -14.085 1.593 101 HB3 LYS 14 2HB LYS 14 7.783 -12.409 2.117 102 HG2 LYS 14 1HG LYS 14 6.686 -12.972 4.040 103 HG3 LYS 14 2HG LYS 14 6.586 -14.712 3.649 104 HD2 LYS 14 1HD LYS 14 9.122 -14.771 3.755 105 HD3 LYS 14 2HD LYS 14 9.078 -13.084 4.343 106 HE2 LYS 14 1HE LYS 14 7.484 -13.854 6.165 107 HE3 LYS 14 2HE LYS 14 7.715 -15.508 5.606 108 HZ1 LYS 14 3HZ LYS 14 9.998 -15.368 6.186 109 HZ2 LYS 14 1HZ LYS 14 9.856 -13.777 6.675 110 HZ3 LYS 14 2HZ LYS 14 9.085 -15.007 7.478 111 H ALA 15 H ALA 15 5.561 -10.950 2.400 112 HA ALA 15 HA ALA 15 3.789 -11.614 4.534 113 HB1 ALA 15 1HB ALA 15 4.218 -8.983 3.071 114 HB2 ALA 15 2HB ALA 15 3.431 -9.157 4.650 115 HB3 ALA 15 3HB ALA 15 5.155 -9.551 4.465 116 H MET 16 H MET 16 3.145 -10.633 1.143 117 HA MET 16 HA MET 16 0.310 -10.417 1.452 118 HB2 MET 16 1HB MET 16 2.060 -9.887 -0.640 119 HB3 MET 16 2HB MET 16 1.349 -11.397 -1.168 120 HG2 MET 16 1HG MET 16 0.164 -8.702 -0.865 121 HG3 MET 16 2HG MET 16 -0.078 -9.865 -2.141 122 HE1 MET 16 3HE MET 16 -3.251 -11.756 -1.207 123 HE2 MET 16 1HE MET 16 -2.517 -10.798 -2.531 124 HE3 MET 16 2HE MET 16 -1.581 -12.091 -1.730 125 H ASP 17 H ASP 17 2.511 -13.117 0.603 126 HA ASP 17 HA ASP 17 0.524 -15.036 -0.015 127 HB2 ASP 17 1HB ASP 17 3.038 -15.003 -0.539 128 HB3 ASP 17 2HB ASP 17 3.298 -15.588 1.107 129 H GLN 18 H GLN 18 2.186 -14.215 3.009 130 HA GLN 18 HA GLN 18 1.055 -16.148 4.735 131 HB2 GLN 18 1HB GLN 18 2.074 -13.360 5.188 132 HB3 GLN 18 2HB GLN 18 1.407 -14.382 6.483 133 HG2 GLN 18 1HG GLN 18 2.913 -16.223 5.851 134 HG3 GLN 18 2HG GLN 18 3.613 -15.253 4.569 135 HE21 GLN 18 2HE2 GLN 18 5.468 -16.049 5.841 136 HE22 GLN 18 1HE2 GLN 18 5.925 -15.159 7.305 137 H CYS 19 H CYS 19 -0.201 -12.931 3.643 138 HA CYS 19 HA CYS 19 -2.646 -13.065 5.165 139 HB2 CYS 19 1HB CYS 19 -1.815 -11.414 2.738 140 HB3 CYS 19 2HB CYS 19 -3.291 -11.174 3.666 141 H LYS 20 H LYS 20 -1.656 -13.898 1.805 142 HA LYS 20 HA LYS 20 -4.207 -14.729 0.894 143 HB2 LYS 20 1HB LYS 20 -2.127 -14.171 -0.464 144 HB3 LYS 20 2HB LYS 20 -1.491 -15.751 -0.004 145 HG2 LYS 20 1HG LYS 20 -3.521 -16.809 -1.101 146 HG3 LYS 20 2HG LYS 20 -3.980 -15.196 -1.590 147 HD2 LYS 20 1HD LYS 20 -2.869 -16.006 -3.446 148 HD3 LYS 20 2HD LYS 20 -1.548 -15.119 -2.662 149 HE2 LYS 20 1HE LYS 20 -0.599 -17.137 -1.767 150 HE3 LYS 20 2HE LYS 20 -2.091 -18.034 -2.035 151 HZ1 LYS 20 3HZ LYS 20 -1.743 -17.815 -4.419 152 HZ2 LYS 20 1HZ LYS 20 -0.245 -17.151 -4.170 153 HZ3 LYS 20 2HZ LYS 20 -0.612 -18.694 -3.656 154 H ASP 21 H ASP 21 -2.209 -16.176 3.255 155 HA ASP 21 HA ASP 21 -3.366 -18.855 2.799 156 HB2 ASP 21 1HB ASP 21 -0.882 -18.641 2.839 157 HB3 ASP 21 2HB ASP 21 -0.962 -18.003 4.485 158 H GLU 22 H GLU 22 -2.509 -16.687 5.568 159 HA GLU 22 HA GLU 22 -4.321 -17.947 7.367 160 HB2 GLU 22 1HB GLU 22 -3.217 -15.096 7.378 161 HB3 GLU 22 2HB GLU 22 -4.135 -15.847 8.684 162 HG2 GLU 22 1HG GLU 22 -2.276 -17.760 8.412 163 HG3 GLU 22 2HG GLU 22 -1.321 -16.409 7.797 164 H LEU 23 H LEU 23 -4.833 -15.424 4.882 165 HA LEU 23 HA LEU 23 -7.702 -15.254 5.803 166 HG LEU 23 HG LEU 23 -5.401 -12.912 5.604 167 HB2 LEU 23 1HB LEU 23 -6.495 -13.784 3.474 168 HB3 LEU 23 2HB LEU 23 -8.033 -13.550 4.235 169 HD11 LEU 23 1HD1 LEU 23 -7.466 -11.100 4.287 170 HD12 LEU 23 2HD1 LEU 23 -6.044 -10.562 5.197 171 HD13 LEU 23 3HD1 LEU 23 -5.837 -11.444 3.673 172 HD21 LEU 23 3HD2 LEU 23 -6.886 -11.680 7.192 173 HD22 LEU 23 1HD2 LEU 23 -8.306 -12.382 6.386 174 HD23 LEU 23 2HD2 LEU 23 -7.147 -13.429 7.231 175 H SER 24 H SER 24 -5.705 -16.999 3.550 176 HA SER 24 HA SER 24 -6.120 -18.176 1.674 177 HG SER 24 HG SER 24 -7.823 -19.678 0.646 178 HB2 SER 24 1HB SER 24 -7.568 -19.295 3.451 179 HB3 SER 24 2HB SER 24 -8.932 -18.675 2.487 180 H LEU 25 H LEU 25 -5.921 -15.769 0.906 181 HA LEU 25 HA LEU 25 -8.345 -14.731 -0.384 182 HG LEU 25 HG LEU 25 -5.900 -12.858 1.367 183 HB2 LEU 25 1HB LEU 25 -5.468 -13.723 -0.738 184 HB3 LEU 25 2HB LEU 25 -6.916 -13.005 -1.405 185 HD11 LEU 25 1HD1 LEU 25 -6.680 -10.623 1.087 186 HD12 LEU 25 2HD1 LEU 25 -5.879 -11.114 -0.440 187 HD13 LEU 25 3HD1 LEU 25 -7.635 -11.040 -0.336 188 HD21 LEU 25 3HD2 LEU 25 -8.136 -13.891 1.865 189 HD22 LEU 25 1HD2 LEU 25 -8.175 -12.150 2.202 190 HD23 LEU 25 2HD2 LEU 25 -8.884 -12.792 0.706 191 HA PRO 26 HA PRO 26 -7.737 -17.437 -3.847 192 HB2 PRO 26 1HB PRO 26 -9.526 -16.442 -5.642 193 HB3 PRO 26 2HB PRO 26 -10.036 -17.237 -4.136 194 HG2 PRO 26 1HG PRO 26 -9.758 -14.290 -4.625 195 HG3 PRO 26 2HG PRO 26 -11.165 -15.150 -3.928 196 HD2 PRO 26 1HD PRO 26 -9.295 -13.964 -2.340 197 HD3 PRO 26 2HD PRO 26 -10.025 -15.529 -1.886 198 H ASP 27 H ASP 27 -6.971 -17.420 -6.083 199 HA ASP 27 HA ASP 27 -4.882 -15.509 -6.570 200 HB2 ASP 27 1HB ASP 27 -5.171 -17.949 -7.398 201 HB3 ASP 27 2HB ASP 27 -6.061 -17.250 -8.741 202 H SER 28 H SER 28 -8.256 -15.406 -7.380 203 HA SER 28 HA SER 28 -8.223 -13.543 -9.570 204 HG SER 28 HG SER 28 -11.327 -14.684 -7.153 205 HB2 SER 28 1HB SER 28 -10.597 -13.143 -8.672 206 HB3 SER 28 2HB SER 28 -10.227 -14.788 -9.216 207 H VAL 29 H VAL 29 -8.746 -13.311 -6.039 208 HA VAL 29 HA VAL 29 -8.739 -10.432 -6.013 209 HB VAL 29 HB VAL 29 -8.464 -12.522 -3.823 210 HG11 VAL 29 1HG1 VAL 29 -8.702 -9.513 -3.545 211 HG12 VAL 29 2HG1 VAL 29 -8.985 -10.677 -2.225 212 HG13 VAL 29 3HG1 VAL 29 -7.378 -10.534 -2.943 213 HG21 VAL 29 3HG2 VAL 29 -10.781 -11.917 -3.317 214 HG22 VAL 29 1HG2 VAL 29 -10.750 -10.615 -4.527 215 HG23 VAL 29 2HG2 VAL 29 -10.685 -12.304 -5.038 216 H VAL 30 H VAL 30 -6.156 -12.869 -5.372 217 HA VAL 30 HA VAL 30 -4.231 -10.906 -4.565 218 HB VAL 30 HB VAL 30 -3.987 -13.751 -5.594 219 HG11 VAL 30 1HG1 VAL 30 -1.797 -12.018 -4.380 220 HG12 VAL 30 2HG1 VAL 30 -1.701 -13.779 -4.625 221 HG13 VAL 30 3HG1 VAL 30 -1.834 -12.711 -6.013 222 HG21 VAL 30 3HG2 VAL 30 -3.263 -13.505 -2.852 223 HG22 VAL 30 1HG2 VAL 30 -4.732 -12.555 -3.033 224 HG23 VAL 30 2HG2 VAL 30 -4.715 -14.250 -3.530 225 H ALA 31 H ALA 31 -4.929 -12.399 -7.801 226 HA ALA 31 HA ALA 31 -2.771 -10.961 -9.070 227 HB1 ALA 31 1HB ALA 31 -3.764 -12.976 -10.107 228 HB2 ALA 31 2HB ALA 31 -5.330 -12.139 -10.236 229 HB3 ALA 31 3HB ALA 31 -3.937 -11.551 -11.164 230 H ASP 32 H ASP 32 -6.272 -10.324 -8.503 231 HA ASP 32 HA ASP 32 -6.349 -7.855 -9.978 232 HB2 ASP 32 1HB ASP 32 -8.017 -9.004 -7.733 233 HB3 ASP 32 2HB ASP 32 -8.193 -7.340 -8.191 234 H LEU 33 H LEU 33 -5.477 -8.558 -6.571 235 HA LEU 33 HA LEU 33 -4.932 -5.894 -5.785 236 HG LEU 33 HG LEU 33 -5.275 -7.966 -2.893 237 HB2 LEU 33 1HB LEU 33 -4.303 -8.629 -4.782 238 HB3 LEU 33 2HB LEU 33 -3.016 -7.534 -4.471 239 HD11 LEU 33 1HD1 LEU 33 -3.313 -5.634 -2.828 240 HD12 LEU 33 2HD1 LEU 33 -4.316 -6.184 -1.471 241 HD13 LEU 33 3HD1 LEU 33 -3.059 -7.257 -2.128 242 HD21 LEU 33 3HD2 LEU 33 -6.413 -5.876 -2.619 243 HD22 LEU 33 1HD2 LEU 33 -5.553 -5.164 -3.959 244 HD23 LEU 33 2HD2 LEU 33 -6.650 -6.514 -4.274 245 H TYR 34 H TYR 34 -2.618 -8.356 -7.052 246 HA TYR 34 HA TYR 34 -0.517 -6.453 -7.191 247 HD1 TYR 34 HD2 TYR 34 0.283 -7.509 -5.632 248 HD2 TYR 34 HD1 TYR 34 0.137 -10.977 -8.192 249 HE1 TYR 34 HE2 TYR 34 1.033 -8.888 -3.776 250 HE2 TYR 34 HE1 TYR 34 0.845 -12.404 -6.283 251 HH TYR 34 HH TYR 34 1.120 -12.415 -3.783 252 HB2 TYR 34 1HB TYR 34 -0.938 -8.916 -8.909 253 HB3 TYR 34 2HB TYR 34 0.559 -7.998 -8.794 254 H ASN 35 H ASN 35 -3.164 -7.009 -9.505 255 HA ASN 35 HA ASN 35 -2.078 -5.318 -11.571 256 HB2 ASN 35 1HB ASN 35 -4.813 -6.429 -10.947 257 HB3 ASN 35 2HB ASN 35 -4.665 -5.094 -12.072 258 HD21 ASN 35 2HD2 ASN 35 -4.634 -8.510 -11.981 259 HD22 ASN 35 1HD2 ASN 35 -3.836 -8.726 -13.513 260 H PHE 36 H PHE 36 -3.856 -4.613 -8.570 261 HA PHE 36 HA PHE 36 -4.644 -2.026 -9.321 262 HD1 PHE 36 HD2 PHE 36 -3.595 -0.812 -5.599 263 HD2 PHE 36 HD1 PHE 36 -7.297 -1.698 -7.619 264 HE1 PHE 36 HE2 PHE 36 -4.688 1.082 -4.428 265 HE2 PHE 36 HE1 PHE 36 -8.367 0.219 -6.479 266 HZ PHE 36 HZ PHE 36 -7.087 1.538 -4.802 267 HB2 PHE 36 1HB PHE 36 -5.460 -3.454 -7.341 268 HB3 PHE 36 2HB PHE 36 -3.984 -3.022 -6.520 269 H TRP 37 H TRP 37 -1.458 -3.018 -8.289 270 HA TRP 37 HA TRP 37 -0.715 -0.140 -7.962 271 HD1 TRP 37 HD1 TRP 37 -0.253 -4.250 -6.306 272 HE1 TRP 37 HE1 TRP 37 -1.693 -4.537 -4.230 273 HE3 TRP 37 HE3 TRP 37 -0.825 0.677 -5.066 274 HZ2 TRP 37 HZ2 TRP 37 -2.763 -2.846 -2.128 275 HZ3 TRP 37 HZ3 TRP 37 -2.154 1.303 -3.044 276 HH2 TRP 37 HH2 TRP 37 -3.069 -0.427 -1.562 277 HB2 TRP 37 1HB TRP 37 1.119 -2.413 -7.340 278 HB3 TRP 37 2HB TRP 37 1.061 -0.794 -6.655 279 H LYS 38 H LYS 38 -0.972 -2.195 -10.431 280 HA LYS 38 HA LYS 38 1.652 -1.763 -11.717 281 HB2 LYS 38 1HB LYS 38 -0.844 -3.315 -12.417 282 HB3 LYS 38 2HB LYS 38 0.438 -3.023 -13.617 283 HG2 LYS 38 1HG LYS 38 2.134 -3.996 -12.117 284 HG3 LYS 38 2HG LYS 38 0.912 -4.260 -10.882 285 HD2 LYS 38 1HD LYS 38 -0.294 -5.728 -12.665 286 HD3 LYS 38 2HD LYS 38 1.226 -5.617 -13.559 287 HE2 LYS 38 1HE LYS 38 2.255 -6.375 -11.177 288 HE3 LYS 38 2HE LYS 38 0.613 -7.008 -10.929 289 HZ1 LYS 38 3HZ LYS 38 1.867 -8.713 -11.957 290 HZ2 LYS 38 1HZ LYS 38 0.920 -8.092 -13.146 291 HZ3 LYS 38 2HZ LYS 38 2.528 -7.662 -13.059 292 H ASP 39 H ASP 39 -1.158 -1.479 -13.761 293 HA ASP 39 HA ASP 39 -0.221 1.193 -14.510 294 HB2 ASP 39 1HB ASP 39 -0.796 -0.406 -16.259 295 HB3 ASP 39 2HB ASP 39 -2.475 -0.457 -15.685 296 H ASP 40 H ASP 40 -3.678 0.083 -14.055 297 HA ASP 40 HA ASP 40 -4.276 1.988 -12.020 298 HB2 ASP 40 1HB ASP 40 -3.855 3.647 -13.822 299 HB3 ASP 40 2HB ASP 40 -4.992 2.796 -14.870 300 H TYR 41 H TYR 41 -5.348 0.174 -11.234 301 HA TYR 41 HA TYR 41 -7.727 -0.819 -12.756 302 HD1 TYR 41 HD1 TYR 41 -6.514 -2.932 -9.236 303 HD2 TYR 41 HD2 TYR 41 -8.344 -3.885 -12.961 304 HE1 TYR 41 HE1 TYR 41 -8.046 -4.445 -8.019 305 HE2 TYR 41 HE2 TYR 41 -9.928 -5.426 -11.801 306 HH TYR 41 HH TYR 41 -10.474 -6.421 -9.737 307 HB2 TYR 41 1HB TYR 41 -6.187 -2.599 -12.802 308 HB3 TYR 41 2HB TYR 41 -5.528 -2.222 -11.243 309 H VAL 42 H VAL 42 -9.477 -1.628 -11.202 310 HA VAL 42 HA VAL 42 -9.530 -0.075 -8.675 311 HB VAL 42 HB VAL 42 -11.408 0.082 -11.020 312 HG11 VAL 42 1HG1 VAL 42 -12.251 0.249 -8.135 313 HG12 VAL 42 2HG1 VAL 42 -13.094 1.161 -9.409 314 HG13 VAL 42 3HG1 VAL 42 -13.025 -0.600 -9.469 315 HG21 VAL 42 3HG2 VAL 42 -11.369 2.460 -10.474 316 HG22 VAL 42 1HG2 VAL 42 -10.412 2.140 -9.018 317 HG23 VAL 42 2HG2 VAL 42 -9.721 1.851 -10.628 318 H MET 43 H MET 43 -9.919 -1.370 -7.055 319 HA MET 43 HA MET 43 -10.530 -4.176 -7.284 320 HB2 MET 43 1HB MET 43 -10.598 -2.187 -4.978 321 HB3 MET 43 2HB MET 43 -10.981 -3.896 -4.774 322 HG2 MET 43 1HG MET 43 -8.775 -4.571 -5.486 323 HG3 MET 43 2HG MET 43 -8.320 -2.905 -5.851 324 HE1 MET 43 3HE MET 43 -8.731 -0.996 -4.008 325 HE2 MET 43 1HE MET 43 -7.927 -1.206 -2.431 326 HE3 MET 43 2HE MET 43 -7.008 -1.402 -3.931 327 H THR 44 H THR 44 -12.457 -5.253 -6.712 328 HA THR 44 HA THR 44 -14.858 -3.567 -6.281 329 HB THR 44 HB THR 44 -16.168 -4.908 -7.831 330 HG1 THR 44 1HG THR 44 -13.719 -6.122 -8.606 331 HG21 THR 44 3HG2 THR 44 -15.345 -4.104 -9.962 332 HG22 THR 44 1HG2 THR 44 -15.005 -2.876 -8.739 333 HG23 THR 44 2HG2 THR 44 -13.704 -3.913 -9.330 334 H ASP 45 H ASP 45 -13.021 -6.404 -5.407 335 HA ASP 45 HA ASP 45 -15.271 -7.497 -3.838 336 HB2 ASP 45 1HB ASP 45 -13.286 -8.858 -4.979 337 HB3 ASP 45 2HB ASP 45 -12.396 -8.407 -3.539 338 H ARG 46 H ARG 46 -14.801 -7.987 -1.453 339 HA ARG 46 HA ARG 46 -13.571 -5.629 -0.133 340 HE ARG 46 HE ARG 46 -17.335 -7.166 2.454 341 HB2 ARG 46 1HB ARG 46 -14.591 -6.363 1.896 342 HB3 ARG 46 2HB ARG 46 -15.785 -6.291 0.624 343 HG2 ARG 46 1HG ARG 46 -14.760 -8.975 0.622 344 HG3 ARG 46 2HG ARG 46 -15.060 -8.553 2.303 345 HD2 ARG 46 1HD ARG 46 -17.080 -8.354 0.018 346 HD3 ARG 46 2HD ARG 46 -16.917 -9.723 1.130 347 HH11 ARG 46 2HH2 ARG 46 -18.984 -9.963 1.011 348 HH12 ARG 46 1HH2 ARG 46 -20.515 -9.604 1.702 349 HH21 ARG 46 2HH1 ARG 46 -19.269 -6.711 3.414 350 HH22 ARG 46 1HH1 ARG 46 -20.718 -7.633 3.108 351 H LEU 47 H LEU 47 -12.965 -9.125 -0.637 352 HA LEU 47 HA LEU 47 -11.070 -9.510 1.452 353 HG LEU 47 HG LEU 47 -13.044 -11.584 0.344 354 HB2 LEU 47 1HB LEU 47 -11.402 -10.788 -1.293 355 HB3 LEU 47 2HB LEU 47 -10.101 -11.226 -0.215 356 HD11 LEU 47 1HD1 LEU 47 -10.802 -13.593 -0.135 357 HD12 LEU 47 2HD1 LEU 47 -12.492 -13.983 0.219 358 HD13 LEU 47 3HD1 LEU 47 -12.080 -13.161 -1.295 359 HD21 LEU 47 3HD2 LEU 47 -10.622 -12.219 2.087 360 HD22 LEU 47 1HD2 LEU 47 -12.007 -11.173 2.495 361 HD23 LEU 47 2HD2 LEU 47 -12.238 -12.905 2.349 362 H ALA 48 H ALA 48 -10.765 -8.060 -1.758 363 HA ALA 48 HA ALA 48 -7.987 -7.920 -2.044 364 HB1 ALA 48 1HB ALA 48 -10.166 -5.874 -2.728 365 HB2 ALA 48 2HB ALA 48 -8.556 -6.001 -3.456 366 HB3 ALA 48 3HB ALA 48 -9.714 -7.286 -3.718 367 H GLY 49 H GLY 49 -10.197 -5.668 -0.336 368 HA2 GLY 49 1HA GLY 49 -8.160 -3.982 0.714 369 HA3 GLY 49 2HA GLY 49 -9.829 -4.116 1.303 370 H CYS 50 H CYS 50 -9.495 -7.061 1.844 371 HA CYS 50 HA CYS 50 -8.465 -6.793 4.553 372 HB2 CYS 50 1HB CYS 50 -9.157 -9.356 3.006 373 HB3 CYS 50 2HB CYS 50 -8.968 -9.184 4.730 374 H ALA 51 H ALA 51 -7.249 -8.179 1.456 375 HA ALA 51 HA ALA 51 -4.785 -9.165 2.508 376 HB1 ALA 51 1HB ALA 51 -4.219 -8.041 -0.044 377 HB2 ALA 51 2HB ALA 51 -4.529 -9.722 0.369 378 HB3 ALA 51 3HB ALA 51 -5.873 -8.701 -0.154 379 H ILE 52 H ILE 52 -5.633 -5.898 1.203 380 HA ILE 52 HA ILE 52 -3.161 -4.703 1.751 381 HB ILE 52 HB ILE 52 -5.879 -3.335 1.904 382 HG12 ILE 52 1HG1 ILE 52 -4.043 -3.623 -0.509 383 HG13 ILE 52 2HG1 ILE 52 -5.547 -4.499 -0.269 384 HG21 ILE 52 1HG2 ILE 52 -3.091 -2.187 1.356 385 HG22 ILE 52 2HG2 ILE 52 -4.609 -1.259 1.389 386 HG23 ILE 52 3HG2 ILE 52 -4.004 -1.978 2.862 387 HD11 ILE 52 3HD1 ILE 52 -6.087 -2.733 -1.725 388 HD12 ILE 52 1HD1 ILE 52 -6.771 -2.273 -0.162 389 HD13 ILE 52 2HD1 ILE 52 -5.268 -1.514 -0.750 390 H ASN 53 H ASN 53 -6.060 -4.629 3.973 391 HA ASN 53 HA ASN 53 -4.510 -3.339 5.982 392 HB2 ASN 53 1HB ASN 53 -6.327 -3.536 7.437 393 HB3 ASN 53 2HB ASN 53 -6.957 -3.248 5.810 394 HD21 ASN 53 2HD2 ASN 53 -9.009 -3.877 6.477 395 HD22 ASN 53 1HD2 ASN 53 -9.385 -5.601 6.506 396 H CYS 54 H CYS 54 -4.707 -6.760 5.189 397 HA CYS 54 HA CYS 54 -3.502 -7.659 7.658 398 HB2 CYS 54 1HB CYS 54 -4.713 -9.160 6.291 399 HB3 CYS 54 2HB CYS 54 -3.695 -8.860 4.896 400 H LEU 55 H LEU 55 -2.222 -6.644 4.478 401 HA LEU 55 HA LEU 55 0.544 -6.951 5.144 402 HG LEU 55 HG LEU 55 0.868 -6.146 1.592 403 HB2 LEU 55 1HB LEU 55 -0.866 -5.204 3.128 404 HB3 LEU 55 2HB LEU 55 0.806 -4.931 3.518 405 HD11 LEU 55 1HD1 LEU 55 2.422 -6.991 3.414 406 HD12 LEU 55 2HD1 LEU 55 1.294 -8.362 3.619 407 HD13 LEU 55 3HD1 LEU 55 2.103 -8.097 2.061 408 HD21 LEU 55 3HD2 LEU 55 -1.410 -6.954 1.555 409 HD22 LEU 55 1HD2 LEU 55 -0.253 -8.232 1.186 410 HD23 LEU 55 2HD2 LEU 55 -1.031 -8.189 2.788 411 H ALA 56 H ALA 56 -1.760 -4.438 6.098 412 HA ALA 56 HA ALA 56 0.294 -2.518 6.959 413 HB1 ALA 56 1HB ALA 56 -2.642 -2.723 7.820 414 HB2 ALA 56 2HB ALA 56 -1.602 -1.306 7.827 415 HB3 ALA 56 3HB ALA 56 -2.147 -1.985 6.283 416 H THR 57 H THR 57 -1.061 -5.469 8.269 417 HA THR 57 HA THR 57 -0.079 -4.828 10.992 418 HB THR 57 HB THR 57 -1.138 -6.997 11.609 419 HG1 THR 57 1HG THR 57 -1.506 -7.346 9.000 420 HG21 THR 57 3HG2 THR 57 -3.412 -6.069 11.642 421 HG22 THR 57 1HG2 THR 57 -2.213 -4.789 11.916 422 HG23 THR 57 2HG2 THR 57 -2.962 -4.931 10.326 423 H LYS 58 H LYS 58 1.358 -5.761 7.962 424 HA LYS 58 HA LYS 58 3.277 -7.400 9.246 425 HB2 LYS 58 1HB LYS 58 1.623 -7.672 6.743 426 HB3 LYS 58 2HB LYS 58 3.304 -8.176 6.709 427 HG2 LYS 58 1HG LYS 58 2.944 -9.632 8.666 428 HG3 LYS 58 2HG LYS 58 1.237 -9.129 8.699 429 HD2 LYS 58 1HD LYS 58 1.161 -9.897 6.202 430 HD3 LYS 58 2HD LYS 58 2.702 -10.709 6.520 431 HE2 LYS 58 1HE LYS 58 0.107 -11.160 8.047 432 HE3 LYS 58 2HE LYS 58 0.639 -12.147 6.702 433 HZ1 LYS 58 3HZ LYS 58 2.558 -12.841 7.997 434 HZ2 LYS 58 1HZ LYS 58 2.118 -11.869 9.259 435 HZ3 LYS 58 2HZ LYS 58 1.180 -13.125 8.829 436 H LEU 59 H LEU 59 3.971 -5.027 9.768 437 HA LEU 59 HA LEU 59 5.240 -3.997 7.280 438 HG LEU 59 HG LEU 59 4.156 -0.893 8.839 439 HB2 LEU 59 1HB LEU 59 5.766 -2.691 9.897 440 HB3 LEU 59 2HB LEU 59 6.019 -2.143 8.241 441 HD11 LEU 59 1HD1 LEU 59 3.671 -2.300 6.777 442 HD12 LEU 59 2HD1 LEU 59 2.504 -3.136 7.823 443 HD13 LEU 59 3HD1 LEU 59 2.403 -1.390 7.573 444 HD21 LEU 59 3HD2 LEU 59 2.802 -3.125 10.315 445 HD22 LEU 59 1HD2 LEU 59 3.869 -1.892 11.065 446 HD23 LEU 59 2HD2 LEU 59 2.396 -1.413 10.232 447 H ASP 60 H ASP 60 6.117 -6.032 10.077 448 HA ASP 60 HA ASP 60 8.942 -5.626 9.806 449 HB2 ASP 60 1HB ASP 60 9.047 -7.358 11.542 450 HB3 ASP 60 2HB ASP 60 7.838 -6.134 11.928 451 H VAL 61 H VAL 61 6.794 -8.191 8.729 452 HA VAL 61 HA VAL 61 8.613 -9.851 7.298 453 HB VAL 61 HB VAL 61 5.585 -9.651 6.887 454 HG11 VAL 61 1HG1 VAL 61 7.599 -11.931 6.742 455 HG12 VAL 61 2HG1 VAL 61 5.864 -12.027 6.336 456 HG13 VAL 61 3HG1 VAL 61 6.955 -11.032 5.341 457 HG21 VAL 61 3HG2 VAL 61 6.928 -11.152 9.156 458 HG22 VAL 61 1HG2 VAL 61 5.715 -9.854 9.280 459 HG23 VAL 61 2HG2 VAL 61 5.267 -11.405 8.580 460 H VAL 62 H VAL 62 6.063 -7.425 6.222 461 HA VAL 62 HA VAL 62 7.024 -7.746 3.550 462 HB VAL 62 HB VAL 62 4.833 -6.716 4.669 463 HG11 VAL 62 1HG1 VAL 62 6.074 -4.704 5.554 464 HG12 VAL 62 2HG1 VAL 62 6.201 -4.125 3.891 465 HG13 VAL 62 3HG1 VAL 62 4.607 -4.336 4.630 466 HG21 VAL 62 3HG2 VAL 62 4.886 -7.084 2.278 467 HG22 VAL 62 1HG2 VAL 62 4.228 -5.472 2.580 468 HG23 VAL 62 2HG2 VAL 62 5.913 -5.630 2.051 469 H ASP 63 H ASP 63 8.185 -5.548 6.005 470 HA ASP 63 HA ASP 63 10.317 -4.689 4.124 471 HB2 ASP 63 1HB ASP 63 8.884 -2.864 4.030 472 HB3 ASP 63 2HB ASP 63 8.527 -2.913 5.753 473 HA PRO 64 HA PRO 64 11.937 -6.364 8.038 474 HB2 PRO 64 1HB PRO 64 13.703 -8.142 7.090 475 HB3 PRO 64 2HB PRO 64 11.954 -8.438 7.036 476 HG2 PRO 64 1HG PRO 64 13.692 -7.331 4.822 477 HG3 PRO 64 2HG PRO 64 12.566 -8.721 4.735 478 HD2 PRO 64 1HD PRO 64 11.812 -6.217 3.979 479 HD3 PRO 64 2HD PRO 64 10.684 -7.310 4.808 480 H ASP 65 H ASP 65 13.048 -4.078 5.813 481 HA ASP 65 HA ASP 65 15.810 -3.860 6.769 482 HB2 ASP 65 1HB ASP 65 14.167 -2.092 4.946 483 HB3 ASP 65 2HB ASP 65 15.833 -1.800 5.396 484 H GLY 66 H GLY 66 12.615 -2.823 7.755 485 HA2 GLY 66 1HA GLY 66 12.376 -2.359 10.047 486 HA3 GLY 66 2HA GLY 66 13.974 -1.611 10.078 487 H ASN 67 H ASN 67 11.746 -0.710 7.470 488 HA ASN 67 HA ASN 67 12.072 1.998 8.567 489 HB2 ASN 67 1HB ASN 67 11.259 1.259 5.757 490 HB3 ASN 67 2HB ASN 67 11.880 2.798 6.349 491 HD21 ASN 67 2HD2 ASN 67 14.105 1.717 7.877 492 HD22 ASN 67 1HD2 ASN 67 15.215 0.952 6.753 493 H LEU 68 H LEU 68 9.591 0.020 6.930 494 HA LEU 68 HA LEU 68 7.418 1.894 7.197 495 HG LEU 68 HG LEU 68 5.144 -0.605 7.005 496 HB2 LEU 68 1HB LEU 68 7.673 -0.109 5.573 497 HB3 LEU 68 2HB LEU 68 7.375 -1.146 6.878 498 HD11 LEU 68 1HD1 LEU 68 3.900 1.137 6.027 499 HD12 LEU 68 2HD1 LEU 68 5.094 1.819 7.103 500 HD13 LEU 68 3HD1 LEU 68 5.369 1.886 5.344 501 HD21 LEU 68 3HD2 LEU 68 5.744 -1.836 4.959 502 HD22 LEU 68 1HD2 LEU 68 4.262 -0.887 4.763 503 HD23 LEU 68 2HD2 LEU 68 5.784 -0.295 4.071 504 H HIS 69 H HIS 69 6.143 2.296 8.971 505 HA HIS 69 HA HIS 69 5.537 0.113 10.773 506 HD1 HIS 69 HD1 HIS 69 7.528 -1.096 12.460 507 HD2 HIS 69 HD2 HIS 69 9.128 2.700 11.414 508 HE1 HIS 69 HE1 HIS 69 10.023 -1.404 12.115 509 HE2 HIS 69 HE2 HIS 69 11.010 0.869 11.517 510 HB2 HIS 69 1HB HIS 69 6.556 2.705 11.971 511 HB3 HIS 69 2HB HIS 69 5.886 1.364 12.840 512 H HIS 70 H HIS 70 3.641 0.766 12.247 513 HA HIS 70 HA HIS 70 1.567 2.003 10.775 514 HD1 HIS 70 HD1 HIS 70 2.814 -0.304 14.671 515 HD2 HIS 70 HD2 HIS 70 1.591 3.754 14.601 516 HE1 HIS 70 HE1 HIS 70 3.922 0.871 16.647 517 HE2 HIS 70 HE2 HIS 70 3.108 3.322 16.635 518 HB2 HIS 70 1HB HIS 70 0.314 1.960 12.868 519 HB3 HIS 70 2HB HIS 70 1.147 0.435 12.631 520 H GLY 71 H GLY 71 0.737 4.051 10.818 521 HA2 GLY 71 1HA GLY 71 0.725 6.286 10.741 522 HA3 GLY 71 2HA GLY 71 1.555 6.294 12.300 523 H ASN 72 H ASN 72 3.398 4.654 9.833 524 HA ASN 72 HA ASN 72 5.237 6.972 9.606 525 HB2 ASN 72 1HB ASN 72 5.229 5.208 11.764 526 HB3 ASN 72 2HB ASN 72 6.379 4.415 10.716 527 HD21 ASN 72 2HD2 ASN 72 8.489 5.155 11.284 528 HD22 ASN 72 1HD2 ASN 72 8.804 6.769 11.878 529 H ALA 73 H ALA 73 4.589 6.619 7.276 530 HA ALA 73 HA ALA 73 6.074 4.396 5.950 531 HB1 ALA 73 1HB ALA 73 4.230 6.538 4.855 532 HB2 ALA 73 2HB ALA 73 4.911 5.178 3.936 533 HB3 ALA 73 3HB ALA 73 3.760 4.871 5.238 534 H LYS 74 H LYS 74 6.983 7.345 7.149 535 HA LYS 74 HA LYS 74 7.937 8.720 4.778 536 HB2 LYS 74 1HB LYS 74 7.412 9.309 7.563 537 HB3 LYS 74 2HB LYS 74 9.111 9.656 7.259 538 HG2 LYS 74 1HG LYS 74 8.577 11.265 5.610 539 HG3 LYS 74 2HG LYS 74 6.891 10.674 5.472 540 HD2 LYS 74 1HD LYS 74 6.356 11.388 7.681 541 HD3 LYS 74 2HD LYS 74 8.039 11.896 8.000 542 HE2 LYS 74 1HE LYS 74 7.960 13.578 6.262 543 HE3 LYS 74 2HE LYS 74 6.378 12.969 5.697 544 HZ1 LYS 74 3HZ LYS 74 6.112 14.987 7.007 545 HZ2 LYS 74 1HZ LYS 74 5.414 13.744 7.795 546 HZ3 LYS 74 2HZ LYS 74 6.859 14.340 8.287 547 H ASP 75 H ASP 75 9.319 6.923 7.503 548 HA ASP 75 HA ASP 75 12.065 7.041 6.899 549 HB2 ASP 75 1HB ASP 75 10.386 5.787 8.778 550 HB3 ASP 75 2HB ASP 75 11.075 4.430 7.911 551 H PHE 76 H PHE 76 9.505 4.899 5.815 552 HA PHE 76 HA PHE 76 11.122 3.072 4.250 553 HD1 PHE 76 HD2 PHE 76 10.072 0.495 4.128 554 HD2 PHE 76 HD1 PHE 76 7.442 3.102 1.888 555 HE1 PHE 76 HE2 PHE 76 9.653 -1.299 2.494 556 HE2 PHE 76 HE1 PHE 76 7.067 1.308 0.251 557 HZ PHE 76 HZ PHE 76 8.159 -0.903 0.535 558 HB2 PHE 76 1HB PHE 76 8.863 2.543 5.168 559 HB3 PHE 76 2HB PHE 76 8.143 3.718 4.104 560 H ALA 77 H ALA 77 8.980 5.812 3.350 561 HA ALA 77 HA ALA 77 9.623 5.902 0.629 562 HB1 ALA 77 1HB ALA 77 8.913 8.278 2.384 563 HB2 ALA 77 2HB ALA 77 8.525 8.024 0.668 564 HB3 ALA 77 3HB ALA 77 7.738 7.044 1.878 565 H MET 78 H MET 78 11.330 7.478 3.347 566 HA MET 78 HA MET 78 13.192 8.968 1.822 567 HB2 MET 78 1HB MET 78 13.778 7.614 4.497 568 HB3 MET 78 2HB MET 78 14.605 8.981 3.765 569 HG2 MET 78 1HG MET 78 12.089 9.998 3.866 570 HG3 MET 78 2HG MET 78 12.072 8.901 5.253 571 HE1 MET 78 3HE MET 78 12.518 12.646 6.459 572 HE2 MET 78 1HE MET 78 12.202 12.405 4.720 573 HE3 MET 78 2HE MET 78 11.307 11.454 5.928 574 H LYS 79 H LYS 79 13.372 5.613 3.052 575 HA LYS 79 HA LYS 79 15.898 5.021 1.756 576 HB2 LYS 79 1HB LYS 79 13.784 3.533 3.335 577 HB3 LYS 79 2HB LYS 79 14.916 2.584 2.410 578 HG2 LYS 79 1HG LYS 79 16.057 4.726 4.187 579 HG3 LYS 79 2HG LYS 79 15.371 3.291 4.932 580 HD2 LYS 79 1HD LYS 79 17.739 2.984 4.667 581 HD3 LYS 79 2HD LYS 79 16.885 1.813 3.686 582 HE2 LYS 79 1HE LYS 79 17.942 4.432 2.529 583 HE3 LYS 79 2HE LYS 79 18.999 3.030 2.756 584 HZ1 LYS 79 3HZ LYS 79 16.554 2.956 1.081 585 HZ2 LYS 79 1HZ LYS 79 18.069 3.119 0.519 586 HZ3 LYS 79 2HZ LYS 79 17.616 1.749 1.320 587 H HIS 80 H HIS 80 12.936 5.541 0.297 588 HA HIS 80 HA HIS 80 13.388 3.469 -1.798 589 HD1 HIS 80 HD1 HIS 80 10.843 1.518 -2.734 590 HD2 HIS 80 HD2 HIS 80 11.975 2.198 1.280 591 HE1 HIS 80 HE1 HIS 80 10.989 -0.763 -1.624 592 HE2 HIS 80 HE2 HIS 80 11.722 -0.325 0.865 593 HB2 HIS 80 1HB HIS 80 10.920 4.389 -0.339 594 HB3 HIS 80 2HB HIS 80 10.760 3.977 -2.020 595 H GLY 81 H GLY 81 13.607 6.787 -1.290 596 HA2 GLY 81 1HA GLY 81 14.162 8.265 -3.123 597 HA3 GLY 81 2HA GLY 81 13.158 7.311 -4.200 598 H ALA 82 H ALA 82 12.811 8.968 -1.001 599 HA ALA 82 HA ALA 82 10.968 10.862 -2.179 600 HB1 ALA 82 1HB ALA 82 9.289 10.599 -0.439 601 HB2 ALA 82 2HB ALA 82 9.520 9.022 -1.217 602 HB3 ALA 82 3HB ALA 82 10.272 9.386 0.367 603 H ASP 83 H ASP 83 10.395 12.431 -0.264 604 HA ASP 83 HA ASP 83 12.867 13.179 1.218 605 HB2 ASP 83 1HB ASP 83 11.064 15.025 -0.390 606 HB3 ASP 83 2HB ASP 83 12.488 15.487 0.503 607 H GLU 84 H GLU 84 12.234 14.885 2.805 608 HA GLU 84 HA GLU 84 9.912 14.440 4.439 609 HB2 GLU 84 1HB GLU 84 12.081 16.490 4.151 610 HB3 GLU 84 2HB GLU 84 10.608 17.122 4.865 611 HG2 GLU 84 1HG GLU 84 11.645 14.504 5.938 612 HG3 GLU 84 2HG GLU 84 12.517 15.985 6.378 613 H THR 85 H THR 85 10.283 16.130 1.506 614 HA THR 85 HA THR 85 7.633 17.400 1.585 615 HB THR 85 HB THR 85 9.756 17.076 -0.557 616 HG1 THR 85 1HG THR 85 9.281 18.882 1.453 617 HG21 THR 85 3HG2 THR 85 7.185 18.739 -0.566 618 HG22 THR 85 1HG2 THR 85 8.463 18.820 -1.799 619 HG23 THR 85 2HG2 THR 85 7.524 17.338 -1.608 620 H MET 86 H MET 86 9.091 15.073 -0.836 621 HA MET 86 HA MET 86 6.627 14.306 -1.743 622 HB2 MET 86 1HB MET 86 8.989 12.424 -1.706 623 HB3 MET 86 2HB MET 86 7.607 12.381 -2.749 624 HG2 MET 86 1HG MET 86 8.400 14.862 -3.377 625 HG3 MET 86 2HG MET 86 9.961 14.206 -2.880 626 HE1 MET 86 3HE MET 86 9.189 11.014 -3.865 627 HE2 MET 86 1HE MET 86 9.924 10.993 -5.473 628 HE3 MET 86 2HE MET 86 10.830 11.674 -4.107 629 H ALA 87 H ALA 87 8.207 12.928 1.105 630 HA ALA 87 HA ALA 87 6.515 10.591 1.363 631 HB1 ALA 87 1HB ALA 87 8.266 12.056 3.399 632 HB2 ALA 87 2HB ALA 87 7.675 10.359 3.437 633 HB3 ALA 87 3HB ALA 87 8.871 10.869 2.240 634 H GLN 88 H GLN 88 6.590 13.921 2.736 635 HA GLN 88 HA GLN 88 4.258 13.613 4.382 636 HB2 GLN 88 1HB GLN 88 5.934 15.270 4.841 637 HB3 GLN 88 2HB GLN 88 5.797 15.968 3.240 638 HG2 GLN 88 1HG GLN 88 4.760 17.363 4.904 639 HG3 GLN 88 2HG GLN 88 3.614 16.810 3.683 640 HE21 GLN 88 2HE2 GLN 88 1.694 16.683 4.728 641 HE22 GLN 88 1HE2 GLN 88 1.363 15.811 6.209 642 H GLN 89 H GLN 89 4.839 14.502 0.947 643 HA GLN 89 HA GLN 89 2.249 15.446 0.342 644 HB2 GLN 89 1HB GLN 89 3.965 13.798 -1.537 645 HB3 GLN 89 2HB GLN 89 2.561 14.788 -1.913 646 HG2 GLN 89 1HG GLN 89 3.788 16.800 -0.987 647 HG3 GLN 89 2HG GLN 89 5.207 15.760 -0.870 648 HE21 GLN 89 2HE2 GLN 89 2.749 16.802 -3.249 649 HE22 GLN 89 1HE2 GLN 89 3.859 16.932 -4.586 650 H LEU 90 H LEU 90 3.434 11.929 0.247 651 HA LEU 90 HA LEU 90 0.875 10.961 -0.398 652 HG LEU 90 HG LEU 90 4.282 10.348 -0.704 653 HB2 LEU 90 1HB LEU 90 3.064 9.464 1.100 654 HB3 LEU 90 2HB LEU 90 1.821 8.794 0.063 655 HD11 LEU 90 1HD1 LEU 90 4.758 7.998 -0.379 656 HD12 LEU 90 2HD1 LEU 90 3.406 7.546 -1.442 657 HD13 LEU 90 3HD1 LEU 90 4.819 8.427 -2.084 658 HD21 LEU 90 3HD2 LEU 90 2.529 11.189 -2.206 659 HD22 LEU 90 1HD2 LEU 90 3.695 10.205 -3.068 660 HD23 LEU 90 2HD2 LEU 90 2.121 9.504 -2.653 661 H VAL 91 H VAL 91 2.525 11.543 2.827 662 HA VAL 91 HA VAL 91 0.515 10.318 4.341 663 HB VAL 91 HB VAL 91 2.802 11.974 4.847 664 HG11 VAL 91 1HG1 VAL 91 0.460 12.689 6.654 665 HG12 VAL 91 2HG1 VAL 91 2.170 13.141 6.875 666 HG13 VAL 91 3HG1 VAL 91 1.258 13.777 5.506 667 HG21 VAL 91 3HG2 VAL 91 2.666 10.818 7.059 668 HG22 VAL 91 1HG2 VAL 91 1.046 10.197 6.579 669 HG23 VAL 91 2HG2 VAL 91 2.511 9.745 5.669 670 H ASP 92 H ASP 92 0.576 13.490 2.836 671 HA ASP 92 HA ASP 92 -1.802 14.544 4.114 672 HB2 ASP 92 1HB ASP 92 0.054 15.959 3.468 673 HB3 ASP 92 2HB ASP 92 0.013 15.390 1.812 674 H ILE 93 H ILE 93 -1.151 12.720 1.242 675 HA ILE 93 HA ILE 93 -3.788 13.134 0.034 676 HB ILE 93 HB ILE 93 -1.566 11.206 -0.447 677 HG12 ILE 93 1HG1 ILE 93 -1.353 13.725 -1.087 678 HG13 ILE 93 2HG1 ILE 93 -0.465 12.320 -1.734 679 HG21 ILE 93 1HG2 ILE 93 -3.504 10.020 -1.231 680 HG22 ILE 93 2HG2 ILE 93 -4.157 11.492 -1.942 681 HG23 ILE 93 3HG2 ILE 93 -2.780 10.647 -2.707 682 HD11 ILE 93 3HD1 ILE 93 -1.830 12.341 -3.725 683 HD12 ILE 93 1HD1 ILE 93 -2.902 13.597 -2.999 684 HD13 ILE 93 2HD1 ILE 93 -1.248 13.989 -3.408 685 H ILE 94 H ILE 94 -2.186 10.325 1.865 686 HA ILE 94 HA ILE 94 -4.600 8.850 2.000 687 HB ILE 94 HB ILE 94 -2.335 7.914 2.291 688 HG12 ILE 94 1HG1 ILE 94 -3.176 6.507 4.395 689 HG13 ILE 94 2HG1 ILE 94 -4.707 7.349 4.057 690 HG21 ILE 94 1HG2 ILE 94 -1.265 7.876 4.478 691 HG22 ILE 94 2HG2 ILE 94 -1.327 9.499 3.804 692 HG23 ILE 94 3HG2 ILE 94 -2.434 9.041 5.102 693 HD11 ILE 94 3HD1 ILE 94 -4.548 5.189 3.003 694 HD12 ILE 94 1HD1 ILE 94 -4.605 6.460 1.756 695 HD13 ILE 94 2HD1 ILE 94 -3.059 5.644 2.155 696 H HIS 95 H HIS 95 -3.159 11.255 4.324 697 HA HIS 95 HA HIS 95 -5.426 11.155 6.141 698 HD1 HIS 95 HD1 HIS 95 -2.518 13.702 8.522 699 HD2 HIS 95 HD2 HIS 95 -3.373 9.904 6.881 700 HE1 HIS 95 HE1 HIS 95 -1.585 11.923 10.171 701 HE2 HIS 95 HE2 HIS 95 -2.161 9.594 9.114 702 HB2 HIS 95 1HB HIS 95 -3.325 13.290 5.596 703 HB3 HIS 95 2HB HIS 95 -4.607 13.478 6.768 704 H GLY 96 H GLY 96 -5.139 12.240 2.998 705 HA2 GLY 96 1HA GLY 96 -7.171 14.386 3.089 706 HA3 GLY 96 2HA GLY 96 -6.385 13.679 1.652 707 H CYS 97 H CYS 97 -6.942 10.892 2.325 708 HA CYS 97 HA CYS 97 -9.848 10.921 1.739 709 HB2 CYS 97 1HB CYS 97 -8.153 9.659 0.258 710 HB3 CYS 97 2HB CYS 97 -8.192 8.442 1.537 711 H GLU 98 H GLU 98 -7.575 9.755 4.202 712 HA GLU 98 HA GLU 98 -9.319 7.981 5.520 713 HB2 GLU 98 1HB GLU 98 -6.775 9.435 6.291 714 HB3 GLU 98 2HB GLU 98 -7.651 8.500 7.489 715 HG2 GLU 98 1HG GLU 98 -7.103 7.314 4.754 716 HG3 GLU 98 2HG GLU 98 -5.811 7.511 5.898 717 H LYS 99 H LYS 99 -9.575 11.268 5.192 718 HA LYS 99 HA LYS 99 -11.335 11.585 7.552 719 HB2 LYS 99 1HB LYS 99 -9.314 13.531 6.371 720 HB3 LYS 99 2HB LYS 99 -10.580 14.008 7.500 721 HG2 LYS 99 1HG LYS 99 -8.849 13.706 8.987 722 HG3 LYS 99 2HG LYS 99 -9.675 12.166 9.081 723 HD2 LYS 99 1HD LYS 99 -7.763 11.692 7.113 724 HD3 LYS 99 2HD LYS 99 -6.924 12.821 8.161 725 HE2 LYS 99 1HE LYS 99 -8.259 10.190 8.970 726 HE3 LYS 99 2HE LYS 99 -6.526 10.408 8.718 727 HZ1 LYS 99 3HZ LYS 99 -8.086 11.813 10.786 728 HZ2 LYS 99 1HZ LYS 99 -7.265 10.428 10.991 729 HZ3 LYS 99 2HZ LYS 99 -6.407 11.770 10.642 730 H SER 100 H SER 100 -11.415 11.298 4.289 731 HA SER 100 HA SER 100 -13.885 12.910 4.113 732 HG SER 100 HG SER 100 -12.821 15.101 1.795 733 HB2 SER 100 1HB SER 100 -11.544 13.719 2.879 734 HB3 SER 100 2HB SER 100 -12.344 12.794 1.592 735 H ALA 101 H ALA 101 -12.602 9.887 4.016 736 HA ALA 101 HA ALA 101 -13.674 8.442 1.977 737 HB1 ALA 101 1HB ALA 101 -12.255 7.497 3.671 738 HB2 ALA 101 2HB ALA 101 -13.464 7.828 4.955 739 HB3 ALA 101 3HB ALA 101 -13.808 6.672 3.646 740 HA PRO 102 HA PRO 102 -18.142 8.658 2.717 741 HB2 PRO 102 1HB PRO 102 -18.906 6.386 1.355 742 HB3 PRO 102 2HB PRO 102 -18.409 7.904 0.556 743 HG2 PRO 102 1HG PRO 102 -16.716 5.462 1.120 744 HG3 PRO 102 2HG PRO 102 -16.834 6.331 -0.417 745 HD2 PRO 102 1HD PRO 102 -14.851 6.665 1.426 746 HD3 PRO 102 2HD PRO 102 -15.373 8.064 0.458 747 HA PRO 103 HA PRO 103 -18.528 6.018 6.230 748 HB2 PRO 103 1HB PRO 103 -21.218 5.784 6.591 749 HB3 PRO 103 2HB PRO 103 -20.321 7.307 6.843 750 HG2 PRO 103 1HG PRO 103 -21.865 6.469 4.375 751 HG3 PRO 103 2HG PRO 103 -21.933 8.030 5.223 752 HD2 PRO 103 1HD PRO 103 -20.412 7.638 3.005 753 HD3 PRO 103 2HD PRO 103 -19.844 8.684 4.340 754 H ASN 104 H ASN 104 -17.526 4.224 5.323 755 HA ASN 104 HA ASN 104 -19.237 1.842 5.241 756 HB2 ASN 104 1HB ASN 104 -17.600 0.786 3.594 757 HB3 ASN 104 2HB ASN 104 -18.913 1.798 2.960 758 HD21 ASN 104 2HD2 ASN 104 -15.457 1.815 3.781 759 HD22 ASN 104 1HD2 ASN 104 -14.984 3.122 2.694 760 H ASP 105 H ASP 105 -18.505 2.244 7.428 761 HA ASP 105 HA ASP 105 -15.774 1.555 8.149 762 HB2 ASP 105 1HB ASP 105 -16.428 2.256 10.089 763 HB3 ASP 105 2HB ASP 105 -18.134 2.314 9.622 764 H ASP 106 H ASP 106 -15.012 -0.206 7.552 765 HA ASP 106 HA ASP 106 -15.889 -2.800 8.180 766 HB2 ASP 106 1HB ASP 106 -16.861 -1.759 5.605 767 HB3 ASP 106 2HB ASP 106 -15.592 -2.974 5.311 768 H LYS 107 H LYS 107 -13.753 -3.828 8.288 769 HA LYS 107 HA LYS 107 -11.657 -1.934 8.351 770 HB2 LYS 107 1HB LYS 107 -10.254 -3.719 9.079 771 HB3 LYS 107 2HB LYS 107 -11.835 -3.807 9.802 772 HG2 LYS 107 1HG LYS 107 -12.239 -5.556 7.788 773 HG3 LYS 107 2HG LYS 107 -10.502 -5.736 8.020 774 HD2 LYS 107 1HD LYS 107 -11.245 -5.897 10.598 775 HD3 LYS 107 2HD LYS 107 -12.779 -6.370 9.868 776 HE2 LYS 107 1HE LYS 107 -11.573 -8.387 10.312 777 HE3 LYS 107 2HE LYS 107 -11.522 -8.169 8.564 778 HZ1 LYS 107 3HZ LYS 107 -9.339 -7.347 10.389 779 HZ2 LYS 107 1HZ LYS 107 -9.377 -8.798 9.657 780 HZ3 LYS 107 2HZ LYS 107 -9.242 -7.464 8.748 781 H CYS 108 H CYS 108 -12.837 -4.217 6.069 782 HA CYS 108 HA CYS 108 -10.441 -3.965 4.460 783 HB2 CYS 108 1HB CYS 108 -12.902 -5.588 3.785 784 HB3 CYS 108 2HB CYS 108 -11.308 -5.660 3.047 785 H MET 109 H MET 109 -13.897 -2.927 4.416 786 HA MET 109 HA MET 109 -13.770 -2.190 1.707 787 HB2 MET 109 1HB MET 109 -15.670 -1.285 3.874 788 HB3 MET 109 2HB MET 109 -15.714 -0.555 2.316 789 HG2 MET 109 1HG MET 109 -15.886 -3.549 2.404 790 HG3 MET 109 2HG MET 109 -17.270 -2.571 2.895 791 HE1 MET 109 3HE MET 109 -14.801 -3.243 -0.186 792 HE2 MET 109 1HE MET 109 -15.539 -2.173 -1.398 793 HE3 MET 109 2HE MET 109 -14.754 -1.455 0.018 794 H LYS 110 H LYS 110 -13.520 -0.281 4.723 795 HA LYS 110 HA LYS 110 -13.241 2.254 3.490 796 HB2 LYS 110 1HB LYS 110 -13.877 2.209 5.730 797 HB3 LYS 110 2HB LYS 110 -12.580 1.102 6.196 798 HG2 LYS 110 1HG LYS 110 -10.889 2.863 5.751 799 HG3 LYS 110 2HG LYS 110 -12.172 4.015 5.384 800 HD2 LYS 110 1HD LYS 110 -11.943 2.522 8.039 801 HD3 LYS 110 2HD LYS 110 -11.092 4.029 7.691 802 HE2 LYS 110 1HE LYS 110 -13.396 4.999 7.055 803 HE3 LYS 110 2HE LYS 110 -14.103 3.617 7.911 804 HZ1 LYS 110 3HZ LYS 110 -13.763 5.667 9.253 805 HZ2 LYS 110 1HZ LYS 110 -13.062 4.327 9.894 806 HZ3 LYS 110 2HZ LYS 110 -12.141 5.477 9.107 807 H THR 111 H THR 111 -10.890 -0.217 4.258 808 HA THR 111 HA THR 111 -8.547 1.237 3.518 809 HB THR 111 HB THR 111 -9.072 -1.754 3.250 810 HG1 THR 111 1HG THR 111 -9.213 -1.350 5.394 811 HG21 THR 111 3HG2 THR 111 -6.590 -1.908 3.556 812 HG22 THR 111 1HG2 THR 111 -7.069 -1.171 2.008 813 HG23 THR 111 2HG2 THR 111 -6.487 -0.149 3.336 814 H ILE 112 H ILE 112 -10.872 -0.601 1.409 815 HA ILE 112 HA ILE 112 -9.370 -0.123 -0.958 816 HB ILE 112 HB ILE 112 -12.305 -0.820 -0.507 817 HG12 ILE 112 1HG1 ILE 112 -10.081 -2.641 -1.435 818 HG13 ILE 112 2HG1 ILE 112 -10.350 -2.393 0.256 819 HG21 ILE 112 1HG2 ILE 112 -12.197 -1.637 -2.921 820 HG22 ILE 112 2HG2 ILE 112 -12.160 0.113 -2.731 821 HG23 ILE 112 3HG2 ILE 112 -10.665 -0.766 -3.066 822 HD11 ILE 112 3HD1 ILE 112 -11.513 -4.418 -0.689 823 HD12 ILE 112 1HD1 ILE 112 -12.541 -3.302 0.218 824 HD13 ILE 112 2HD1 ILE 112 -12.583 -3.311 -1.550 825 H ASP 113 H ASP 113 -11.999 1.640 0.660 826 HA ASP 113 HA ASP 113 -12.704 3.462 -1.377 827 HB2 ASP 113 1HB ASP 113 -14.113 4.341 0.208 828 HB3 ASP 113 2HB ASP 113 -13.506 2.923 1.166 829 H VAL 114 H VAL 114 -10.539 3.907 1.366 830 HA VAL 114 HA VAL 114 -9.316 6.270 0.588 831 HB VAL 114 HB VAL 114 -8.828 3.951 2.440 832 HG11 VAL 114 1HG1 VAL 114 -7.009 5.249 3.572 833 HG12 VAL 114 2HG1 VAL 114 -6.554 4.853 1.919 834 HG13 VAL 114 3HG1 VAL 114 -7.118 6.503 2.312 835 HG21 VAL 114 3HG2 VAL 114 -9.259 5.711 4.201 836 HG22 VAL 114 1HG2 VAL 114 -9.650 6.843 2.892 837 HG23 VAL 114 2HG2 VAL 114 -10.610 5.381 3.134 838 H ALA 115 H ALA 115 -8.275 2.832 -0.070 839 HA ALA 115 HA ALA 115 -5.790 3.556 -1.226 840 HB1 ALA 115 1HB ALA 115 -7.518 1.113 -1.791 841 HB2 ALA 115 2HB ALA 115 -5.805 1.300 -2.223 842 HB3 ALA 115 3HB ALA 115 -6.278 1.263 -0.520 843 H MET 116 H MET 116 -9.039 3.254 -2.814 844 HA MET 116 HA MET 116 -7.805 3.738 -5.437 845 HB2 MET 116 1HB MET 116 -9.991 3.896 -6.367 846 HB3 MET 116 2HB MET 116 -9.832 2.454 -5.371 847 HG2 MET 116 1HG MET 116 -11.241 3.364 -3.662 848 HG3 MET 116 2HG MET 116 -11.163 4.981 -4.338 849 HE1 MET 116 3HE MET 116 -12.298 1.280 -5.363 850 HE2 MET 116 1HE MET 116 -13.353 1.676 -6.740 851 HE3 MET 116 2HE MET 116 -11.619 1.984 -6.857 852 H CYS 117 H CYS 117 -9.488 5.686 -2.995 853 HA CYS 117 HA CYS 117 -9.690 8.163 -4.190 854 HB2 CYS 117 1HB CYS 117 -10.400 7.241 -1.894 855 HB3 CYS 117 2HB CYS 117 -8.785 7.565 -1.354 856 H PHE 118 H PHE 118 -6.969 6.873 -2.260 857 HA PHE 118 HA PHE 118 -4.997 8.783 -2.482 858 HD1 PHE 118 HD2 PHE 118 -2.496 7.236 -4.109 859 HD2 PHE 118 HD1 PHE 118 -3.069 6.276 0.048 860 HE1 PHE 118 HE2 PHE 118 -0.162 7.777 -3.604 861 HE2 PHE 118 HE1 PHE 118 -0.751 6.539 0.457 862 HZ PHE 118 HZ PHE 118 0.680 7.710 -1.434 863 HB2 PHE 118 1HB PHE 118 -4.938 6.622 -1.215 864 HB3 PHE 118 2HB PHE 118 -4.748 5.738 -2.728 865 H LYS 119 H LYS 119 -5.652 6.145 -4.906 866 HA LYS 119 HA LYS 119 -3.614 7.056 -6.670 867 HB2 LYS 119 1HB LYS 119 -4.902 4.790 -6.556 868 HB3 LYS 119 2HB LYS 119 -6.093 5.594 -7.575 869 HG2 LYS 119 1HG LYS 119 -4.785 4.724 -9.229 870 HG3 LYS 119 2HG LYS 119 -3.941 6.245 -9.033 871 HD2 LYS 119 1HD LYS 119 -2.326 4.488 -9.188 872 HD3 LYS 119 2HD LYS 119 -2.301 5.055 -7.504 873 HE2 LYS 119 1HE LYS 119 -3.513 3.156 -6.718 874 HE3 LYS 119 2HE LYS 119 -4.098 2.774 -8.342 875 HZ1 LYS 119 3HZ LYS 119 -2.445 1.244 -7.774 876 HZ2 LYS 119 1HZ LYS 119 -1.889 2.134 -8.979 877 HZ3 LYS 119 2HZ LYS 119 -1.281 2.410 -7.491 878 H LYS 120 H LYS 120 -7.115 7.933 -6.491 879 HA LYS 120 HA LYS 120 -7.165 9.455 -8.932 880 HB2 LYS 120 1HB LYS 120 -8.653 10.280 -6.408 881 HB3 LYS 120 2HB LYS 120 -9.078 10.595 -8.077 882 HG2 LYS 120 1HG LYS 120 -9.251 7.975 -6.588 883 HG3 LYS 120 2HG LYS 120 -10.577 8.955 -7.153 884 HD2 LYS 120 1HD LYS 120 -8.599 7.693 -9.108 885 HD3 LYS 120 2HD LYS 120 -9.983 6.814 -8.466 886 HE2 LYS 120 1HE LYS 120 -11.528 8.538 -9.282 887 HE3 LYS 120 2HE LYS 120 -10.175 9.509 -9.878 888 HZ1 LYS 120 3HZ LYS 120 -9.644 7.799 -11.440 889 HZ2 LYS 120 1HZ LYS 120 -10.809 6.791 -10.846 890 HZ3 LYS 120 2HZ LYS 120 -11.210 8.185 -11.638 891 H GLU 121 H GLU 121 -6.186 10.266 -5.597 892 HA GLU 121 HA GLU 121 -5.602 13.021 -6.126 893 HB2 GLU 121 1HB GLU 121 -4.977 11.078 -3.911 894 HB3 GLU 121 2HB GLU 121 -4.621 12.783 -3.806 895 HG2 GLU 121 1HG GLU 121 -7.460 12.155 -4.459 896 HG3 GLU 121 2HG GLU 121 -6.898 11.503 -2.929 897 H ILE 122 H ILE 122 -3.728 10.087 -6.887 898 HA ILE 122 HA ILE 122 -1.198 11.453 -6.745 899 HB ILE 122 HB ILE 122 -2.125 9.014 -8.263 900 HG12 ILE 122 1HG1 ILE 122 -0.674 9.459 -5.630 901 HG13 ILE 122 2HG1 ILE 122 -2.197 8.675 -5.926 902 HG21 ILE 122 1HG2 ILE 122 0.216 8.499 -8.717 903 HG22 ILE 122 2HG2 ILE 122 -0.200 10.043 -9.438 904 HG23 ILE 122 3HG2 ILE 122 0.733 10.014 -7.947 905 HD11 ILE 122 3HD1 ILE 122 0.516 7.561 -6.558 906 HD12 ILE 122 1HD1 ILE 122 -0.683 6.951 -5.429 907 HD13 ILE 122 2HD1 ILE 122 -1.006 6.849 -7.166 908 H HIS 123 H HIS 123 -3.878 11.370 -9.157 909 HA HIS 123 HA HIS 123 -2.410 12.712 -11.182 910 HD1 HIS 123 HD1 HIS 123 -4.056 11.731 -14.040 911 HD2 HIS 123 HD2 HIS 123 -5.195 9.789 -10.443 912 HE1 HIS 123 HE1 HIS 123 -4.446 9.297 -14.619 913 HE2 HIS 123 HE2 HIS 123 -5.137 8.089 -12.437 914 HB2 HIS 123 1HB HIS 123 -5.396 12.557 -10.606 915 HB3 HIS 123 2HB HIS 123 -4.683 13.305 -11.992 916 H LYS 124 H LYS 124 -3.027 13.961 -8.017 917 HA LYS 124 HA LYS 124 -2.722 16.679 -9.200 918 HB2 LYS 124 1HB LYS 124 -3.801 17.686 -7.315 919 HB3 LYS 124 2HB LYS 124 -4.876 16.583 -8.147 920 HG2 LYS 124 1HG LYS 124 -5.373 16.044 -5.983 921 HG3 LYS 124 2HG LYS 124 -4.160 14.874 -6.323 922 HD2 LYS 124 1HD LYS 124 -3.668 15.613 -4.188 923 HD3 LYS 124 2HD LYS 124 -2.492 16.517 -5.146 924 HE2 LYS 124 1HE LYS 124 -3.973 18.502 -5.123 925 HE3 LYS 124 2HE LYS 124 -5.248 17.554 -4.344 926 HZ1 LYS 124 3HZ LYS 124 -4.208 18.809 -2.703 927 HZ2 LYS 124 1HZ LYS 124 -3.765 17.259 -2.456 928 HZ3 LYS 124 2HZ LYS 124 -2.672 18.304 -3.118 929 H LEU 125 H LEU 125 -0.979 14.205 -7.786 930 HA LEU 125 HA LEU 125 0.616 15.797 -5.966 931 HG LEU 125 HG LEU 125 -0.300 13.227 -5.354 932 HB2 LEU 125 1HB LEU 125 1.150 13.221 -7.502 933 HB3 LEU 125 2HB LEU 125 2.371 13.977 -6.520 934 HD11 LEU 125 1HD1 LEU 125 2.315 11.676 -5.310 935 HD12 LEU 125 2HD1 LEU 125 0.784 11.248 -4.481 936 HD13 LEU 125 3HD1 LEU 125 0.861 11.269 -6.240 937 HD21 LEU 125 3HD2 LEU 125 1.053 13.320 -3.217 938 HD22 LEU 125 1HD2 LEU 125 2.431 13.916 -4.150 939 HD23 LEU 125 2HD2 LEU 125 0.950 14.890 -4.017 940 H ASN 126 H ASN 126 0.598 15.290 -9.470 941 HA ASN 126 HA ASN 126 1.692 16.290 -11.150 942 HB2 ASN 126 1HB ASN 126 3.271 18.112 -9.331 943 HB3 ASN 126 2HB ASN 126 2.887 18.290 -11.034 944 HD21 ASN 126 2HD2 ASN 126 -0.050 17.371 -10.250 945 HD22 ASN 126 1HD2 ASN 126 -0.653 18.704 -9.310 946 H TRP 127 H TRP 127 2.744 14.265 -9.170 947 HA TRP 127 HA TRP 127 4.868 13.522 -11.017 948 HD1 TRP 127 HD1 TRP 127 4.478 15.275 -7.240 949 HE1 TRP 127 HE1 TRP 127 4.468 14.587 -4.817 950 HE3 TRP 127 HE3 TRP 127 7.000 10.837 -7.675 951 HZ2 TRP 127 HZ2 TRP 127 5.117 12.230 -3.272 952 HZ3 TRP 127 HZ3 TRP 127 7.489 9.513 -5.632 953 HH2 TRP 127 HH2 TRP 127 6.490 10.115 -3.456 954 HB2 TRP 127 1HB TRP 127 6.421 12.669 -9.324 955 HB3 TRP 127 2HB TRP 127 6.220 14.398 -9.221 956 H VAL 128 H VAL 128 5.468 11.048 -10.447 957 HA VAL 128 HA VAL 128 3.007 9.626 -9.633 958 HB VAL 128 HB VAL 128 4.880 8.990 -11.917 959 HG11 VAL 128 1HG1 VAL 128 3.404 7.025 -12.327 960 HG12 VAL 128 2HG1 VAL 128 4.257 6.895 -10.792 961 HG13 VAL 128 3HG1 VAL 128 2.542 7.362 -10.806 962 HG21 VAL 128 3HG2 VAL 128 1.911 9.687 -11.834 963 HG22 VAL 128 1HG2 VAL 128 3.217 10.678 -12.529 964 HG23 VAL 128 2HG2 VAL 128 2.800 9.141 -13.287 965 HA PRO 129 HA PRO 129 6.328 8.228 -6.858 966 HB2 PRO 129 1HB PRO 129 4.768 6.821 -5.090 967 HB3 PRO 129 2HB PRO 129 4.837 8.606 -5.072 968 HG2 PRO 129 1HG PRO 129 2.805 6.819 -6.392 969 HG3 PRO 129 2HG PRO 129 2.506 8.243 -5.337 970 HD2 PRO 129 1HD PRO 129 2.434 8.353 -8.051 971 HD3 PRO 129 2HD PRO 129 3.095 9.723 -7.095 972 H ASN 130 H ASN 130 7.267 6.302 -6.259 973 HA ASN 130 HA ASN 130 7.263 4.068 -8.005 974 HB2 ASN 130 1HB ASN 130 7.983 4.151 -5.027 975 HB3 ASN 130 2HB ASN 130 8.445 2.884 -6.167 976 HD21 ASN 130 2HD2 ASN 130 10.046 5.025 -4.574 977 HD22 ASN 130 1HD2 ASN 130 11.179 5.593 -5.757 978 H MET 131 H MET 131 6.225 1.942 -7.796 979 HA MET 131 HA MET 131 3.609 1.965 -6.673 980 HB2 MET 131 1HB MET 131 3.567 -0.439 -7.054 981 HB3 MET 131 2HB MET 131 4.164 0.429 -8.451 982 HG2 MET 131 1HG MET 131 6.256 -0.461 -8.338 983 HG3 MET 131 2HG MET 131 6.284 -0.547 -6.592 984 HE1 MET 131 3HE MET 131 4.470 -3.838 -5.704 985 HE2 MET 131 1HE MET 131 5.358 -2.417 -5.106 986 HE3 MET 131 2HE MET 131 3.736 -2.227 -5.801 987 H ASP 132 H ASP 132 6.720 1.069 -5.292 988 HA ASP 132 HA ASP 132 6.064 -0.166 -2.894 989 HB2 ASP 132 1HB ASP 132 8.248 1.907 -3.462 990 HB3 ASP 132 2HB ASP 132 8.241 0.728 -2.159 991 H LEU 133 H LEU 133 6.502 3.386 -3.531 992 HA LEU 133 HA LEU 133 5.918 4.378 -1.052 993 HG LEU 133 HG LEU 133 6.490 7.237 -1.809 994 HB2 LEU 133 1HB LEU 133 6.061 5.250 -3.883 995 HB3 LEU 133 2HB LEU 133 4.933 6.188 -2.953 996 HD11 LEU 133 1HD1 LEU 133 8.294 4.884 -1.759 997 HD12 LEU 133 2HD1 LEU 133 8.779 6.550 -1.298 998 HD13 LEU 133 3HD1 LEU 133 7.428 5.788 -0.451 999 HD21 LEU 133 3HD2 LEU 133 8.226 6.381 -4.119 1000 HD22 LEU 133 1HD2 LEU 133 6.966 7.632 -4.190 1001 HD23 LEU 133 2HD2 LEU 133 8.378 7.877 -3.175 1002 H VAL 134 H VAL 134 3.699 3.738 -3.788 1003 HA VAL 134 HA VAL 134 1.405 4.877 -2.587 1004 HB VAL 134 HB VAL 134 1.621 2.642 -4.666 1005 HG11 VAL 134 1HG1 VAL 134 -0.596 2.699 -3.688 1006 HG12 VAL 134 2HG1 VAL 134 -0.702 4.446 -3.892 1007 HG13 VAL 134 3HG1 VAL 134 -0.674 3.374 -5.323 1008 HG21 VAL 134 3HG2 VAL 134 1.332 5.658 -4.944 1009 HG22 VAL 134 1HG2 VAL 134 2.734 4.685 -5.431 1010 HG23 VAL 134 2HG2 VAL 134 1.205 4.502 -6.289 1011 H ILE 135 H ILE 135 2.635 1.505 -2.489 1012 HA ILE 135 HA ILE 135 0.358 0.580 -0.942 1013 HB ILE 135 HB ILE 135 3.098 -0.675 -1.356 1014 HG12 ILE 135 1HG1 ILE 135 0.466 -1.434 -2.643 1015 HG13 ILE 135 2HG1 ILE 135 1.597 -0.341 -3.430 1016 HG21 ILE 135 1HG2 ILE 135 0.493 -1.640 -0.060 1017 HG22 ILE 135 2HG2 ILE 135 1.784 -2.767 -0.565 1018 HG23 ILE 135 3HG2 ILE 135 2.111 -1.558 0.654 1019 HD11 ILE 135 3HD1 ILE 135 3.356 -2.093 -3.352 1020 HD12 ILE 135 1HD1 ILE 135 2.155 -3.247 -2.724 1021 HD13 ILE 135 2HD1 ILE 135 1.948 -2.539 -4.327 1022 H GLY 136 H GLY 136 3.840 0.997 -0.089 1023 HA2 GLY 136 1HA GLY 136 3.777 0.650 2.588 1024 HA3 GLY 136 2HA GLY 136 4.805 1.876 1.823 1025 H GLU 137 H GLU 137 2.443 3.680 1.059 1026 HA GLU 137 HA GLU 137 2.262 4.933 3.693 1027 HB2 GLU 137 1HB GLU 137 2.665 6.203 1.618 1028 HB3 GLU 137 2HB GLU 137 1.095 5.709 1.024 1029 HG2 GLU 137 1HG GLU 137 0.854 7.928 1.930 1030 HG3 GLU 137 2HG GLU 137 0.056 6.850 3.045 1031 H VAL 138 H VAL 138 -0.124 3.178 1.521 1032 HA VAL 138 HA VAL 138 -2.318 3.723 3.238 1033 HB VAL 138 HB VAL 138 -2.161 2.696 0.790 1034 HG11 VAL 138 1HG1 VAL 138 -2.604 0.155 2.395 1035 HG12 VAL 138 2HG1 VAL 138 -2.785 0.360 0.635 1036 HG13 VAL 138 3HG1 VAL 138 -1.194 0.460 1.367 1037 HG21 VAL 138 3HG2 VAL 138 -4.507 1.838 1.126 1038 HG22 VAL 138 1HG2 VAL 138 -4.263 2.078 2.884 1039 HG23 VAL 138 2HG2 VAL 138 -4.178 3.451 1.741 1040 H LEU 139 H LEU 139 0.108 1.164 3.195 1041 HA LEU 139 HA LEU 139 -0.937 -0.449 5.292 1042 HG LEU 139 HG LEU 139 0.916 -0.902 2.543 1043 HB2 LEU 139 1HB LEU 139 1.971 0.000 4.431 1044 HB3 LEU 139 2HB LEU 139 1.400 -1.298 5.472 1045 HD11 LEU 139 1HD1 LEU 139 1.931 -3.173 2.402 1046 HD12 LEU 139 2HD1 LEU 139 2.997 -1.963 3.118 1047 HD13 LEU 139 3HD1 LEU 139 2.169 -3.132 4.174 1048 HD21 LEU 139 3HD2 LEU 139 -1.254 -1.558 3.312 1049 HD22 LEU 139 1HD2 LEU 139 -0.493 -2.894 2.454 1050 HD23 LEU 139 2HD2 LEU 139 -0.560 -2.889 4.234 1051 H ALA 140 H ALA 140 0.565 2.598 5.484 1052 HA ALA 140 HA ALA 140 1.571 2.161 8.238 1053 HB1 ALA 140 1HB ALA 140 1.704 4.559 6.348 1054 HB2 ALA 140 2HB ALA 140 2.381 4.518 7.993 1055 HB3 ALA 140 3HB ALA 140 3.014 3.411 6.752 1056 H GLU 141 H GLU 141 -1.029 4.072 6.463 1057 HA GLU 141 HA GLU 141 -1.951 5.293 8.883 1058 HB2 GLU 141 1HB GLU 141 -2.824 5.021 6.050 1059 HB3 GLU 141 2HB GLU 141 -4.109 5.137 7.188 1060 HG2 GLU 141 1HG GLU 141 -1.932 7.158 6.640 1061 HG3 GLU 141 2HG GLU 141 -3.668 7.418 6.382 1062 H VAL 142 H VAL 142 -2.955 2.504 6.940 1063 HA VAL 142 HA VAL 142 -5.005 1.563 8.677 1064 HB VAL 142 HB VAL 142 -3.470 0.316 6.341 1065 HG11 VAL 142 1HG1 VAL 142 -5.386 -1.182 6.041 1066 HG12 VAL 142 2HG1 VAL 142 -4.673 -1.452 7.645 1067 HG13 VAL 142 3HG1 VAL 142 -6.174 -0.521 7.476 1068 HG21 VAL 142 3HG2 VAL 142 -5.470 0.975 5.018 1069 HG22 VAL 142 1HG2 VAL 142 -6.179 1.730 6.459 1070 HG23 VAL 142 2HG2 VAL 142 -4.716 2.397 5.728 Start of MODEL 5 1 HA SER 1 HA SER 1 27.226 -10.742 -6.154 2 HG SER 1 HG SER 1 28.512 -11.939 -8.896 3 H1 SER 1 H SER 1 25.220 -12.004 -5.881 4 HB2 SER 1 1HB SER 1 26.482 -10.285 -9.031 5 HB3 SER 1 2HB SER 1 28.045 -10.037 -8.245 6 HA PRO 2 HA PRO 2 24.780 -7.183 -5.369 7 HB2 PRO 2 1HB PRO 2 26.410 -5.064 -5.524 8 HB3 PRO 2 2HB PRO 2 26.710 -6.410 -4.392 9 HG2 PRO 2 1HG PRO 2 28.050 -5.912 -7.058 10 HG3 PRO 2 2HG PRO 2 28.795 -6.435 -5.522 11 HD2 PRO 2 1HD PRO 2 28.006 -8.109 -7.583 12 HD3 PRO 2 2HD PRO 2 28.195 -8.649 -5.893 13 H GLU 3 H GLU 3 23.083 -7.073 -6.918 14 HA GLU 3 HA GLU 3 23.619 -5.509 -9.368 15 HB2 GLU 3 1HB GLU 3 24.195 -8.032 -9.679 16 HB3 GLU 3 2HB GLU 3 22.471 -8.336 -9.556 17 HG2 GLU 3 1HG GLU 3 22.924 -8.126 -11.881 18 HG3 GLU 3 2HG GLU 3 22.172 -6.593 -11.437 19 H ILE 4 H ILE 4 21.015 -7.737 -8.302 20 HA ILE 4 HA ILE 4 19.166 -5.486 -7.950 21 HB ILE 4 HB ILE 4 17.359 -6.711 -9.052 22 HG12 ILE 4 1HG1 ILE 4 19.494 -8.207 -10.625 23 HG13 ILE 4 2HG1 ILE 4 18.655 -8.969 -9.286 24 HG21 ILE 4 1HG2 ILE 4 18.588 -4.729 -9.965 25 HG22 ILE 4 2HG2 ILE 4 19.607 -5.805 -10.912 26 HG23 ILE 4 3HG2 ILE 4 17.852 -5.723 -11.223 27 HD11 ILE 4 3HD1 ILE 4 16.470 -8.544 -10.299 28 HD12 ILE 4 1HD1 ILE 4 17.259 -7.860 -11.732 29 HD13 ILE 4 2HD1 ILE 4 17.509 -9.569 -11.309 30 H MET 5 H MET 5 20.089 -5.974 -5.970 31 HA MET 5 HA MET 5 19.776 -8.252 -4.438 32 HB2 MET 5 1HB MET 5 20.252 -6.733 -2.689 33 HB3 MET 5 2HB MET 5 21.210 -6.254 -4.058 34 HG2 MET 5 1HG MET 5 20.221 -4.249 -4.275 35 HG3 MET 5 2HG MET 5 18.619 -4.827 -3.875 36 HE1 MET 5 3HE MET 5 21.879 -3.724 -0.738 37 HE2 MET 5 1HE MET 5 21.919 -5.296 -1.559 38 HE3 MET 5 2HE MET 5 22.144 -3.804 -2.488 39 H LYS 6 H LYS 6 18.423 -8.089 -2.274 40 HA LYS 6 HA LYS 6 15.850 -8.805 -2.738 41 HB2 LYS 6 1HB LYS 6 17.011 -7.534 -0.230 42 HB3 LYS 6 2HB LYS 6 15.444 -8.356 -0.292 43 HG2 LYS 6 1HG LYS 6 16.510 -10.468 -0.871 44 HG3 LYS 6 2HG LYS 6 18.054 -9.675 -1.149 45 HD2 LYS 6 1HD LYS 6 18.363 -10.759 0.850 46 HD3 LYS 6 2HD LYS 6 18.137 -9.068 1.310 47 HE2 LYS 6 1HE LYS 6 15.944 -9.464 2.125 48 HE3 LYS 6 2HE LYS 6 15.779 -10.978 1.233 49 HZ1 LYS 6 3HZ LYS 6 17.436 -11.955 2.717 50 HZ2 LYS 6 1HZ LYS 6 17.482 -10.553 3.611 51 HZ3 LYS 6 2HZ LYS 6 16.095 -11.401 3.507 52 H ASN 7 H ASN 7 14.571 -7.591 -4.057 53 HA ASN 7 HA ASN 7 14.402 -4.725 -3.619 54 HB2 ASN 7 1HB ASN 7 13.560 -4.580 -5.896 55 HB3 ASN 7 2HB ASN 7 15.245 -5.068 -5.698 56 HD21 ASN 7 2HD2 ASN 7 15.740 -7.398 -5.877 57 HD22 ASN 7 1HD2 ASN 7 14.621 -8.419 -6.754 58 H LEU 8 H LEU 8 12.778 -5.265 -1.843 59 HA LEU 8 HA LEU 8 10.785 -6.107 -1.111 60 HG LEU 8 HG LEU 8 10.542 -4.799 0.389 61 HB2 LEU 8 1HB LEU 8 10.969 -3.358 -2.155 62 HB3 LEU 8 2HB LEU 8 9.347 -3.893 -2.043 63 HD11 LEU 8 1HD1 LEU 8 12.364 -3.077 -0.329 64 HD12 LEU 8 2HD1 LEU 8 11.119 -1.916 0.239 65 HD13 LEU 8 3HD1 LEU 8 11.738 -3.114 1.340 66 HD21 LEU 8 3HD2 LEU 8 8.697 -2.508 -0.157 67 HD22 LEU 8 1HD2 LEU 8 8.291 -4.197 0.200 68 HD23 LEU 8 2HD2 LEU 8 9.044 -3.227 1.444 69 H SER 9 H SER 9 11.095 -7.687 -2.931 70 HA SER 9 HA SER 9 8.264 -8.107 -3.825 71 HG SER 9 HG SER 9 7.830 -8.420 -6.032 72 HB2 SER 9 1HB SER 9 9.873 -7.608 -5.728 73 HB3 SER 9 2HB SER 9 10.512 -9.248 -5.478 74 H ASN 10 H ASN 10 11.236 -10.166 -3.177 75 HA ASN 10 HA ASN 10 9.765 -12.457 -2.683 76 HB2 ASN 10 1HB ASN 10 11.609 -12.847 -0.741 77 HB3 ASN 10 2HB ASN 10 11.780 -13.274 -2.424 78 HD21 ASN 10 2HD2 ASN 10 12.255 -9.876 -0.855 79 HD22 ASN 10 1HD2 ASN 10 13.885 -9.929 -1.440 80 H ASN 11 H ASN 11 10.446 -9.902 -0.395 81 HA ASN 11 HA ASN 11 9.254 -10.965 1.942 82 HB2 ASN 11 1HB ASN 11 9.299 -8.256 2.255 83 HB3 ASN 11 2HB ASN 11 10.529 -9.340 2.697 84 HD21 ASN 11 2HD2 ASN 11 11.508 -6.831 2.455 85 HD22 ASN 11 1HD2 ASN 11 12.380 -6.658 0.978 86 H PHE 12 H PHE 12 8.264 -8.533 -0.503 87 HA PHE 12 HA PHE 12 5.882 -7.878 0.600 88 HD1 PHE 12 HD2 PHE 12 3.807 -6.872 -0.406 89 HD2 PHE 12 HD1 PHE 12 7.383 -4.954 -1.759 90 HE1 PHE 12 HE2 PHE 12 2.836 -4.630 0.138 91 HE2 PHE 12 HE1 PHE 12 6.529 -2.782 -1.118 92 HZ PHE 12 HZ PHE 12 4.223 -2.546 -0.217 93 HB2 PHE 12 1HB PHE 12 7.249 -7.312 -1.813 94 HB3 PHE 12 2HB PHE 12 5.690 -7.852 -2.343 95 H GLY 13 H GLY 13 6.543 -10.394 -1.868 96 HA2 GLY 13 1HA GLY 13 3.856 -11.411 -2.067 97 HA3 GLY 13 2HA GLY 13 5.349 -12.154 -2.675 98 H LYS 14 H LYS 14 6.532 -11.951 0.286 99 HA LYS 14 HA LYS 14 5.597 -14.559 1.102 100 HB2 LYS 14 1HB LYS 14 7.831 -14.295 1.593 101 HB3 LYS 14 2HB LYS 14 7.693 -12.563 1.880 102 HG2 LYS 14 1HG LYS 14 6.595 -12.950 3.993 103 HG3 LYS 14 2HG LYS 14 6.821 -14.708 3.796 104 HD2 LYS 14 1HD LYS 14 9.378 -14.051 3.549 105 HD3 LYS 14 2HD LYS 14 8.873 -12.480 4.180 106 HE2 LYS 14 1HE LYS 14 9.482 -13.587 6.132 107 HE3 LYS 14 2HE LYS 14 7.735 -13.854 6.088 108 HZ1 LYS 14 3HZ LYS 14 8.757 -15.923 6.554 109 HZ2 LYS 14 1HZ LYS 14 8.290 -16.030 4.982 110 HZ3 LYS 14 2HZ LYS 14 9.844 -15.776 5.305 111 H ALA 15 H ALA 15 5.410 -11.176 2.412 112 HA ALA 15 HA ALA 15 3.557 -11.909 4.431 113 HB1 ALA 15 1HB ALA 15 4.888 -9.850 4.541 114 HB2 ALA 15 2HB ALA 15 4.048 -9.195 3.124 115 HB3 ALA 15 3HB ALA 15 3.169 -9.461 4.647 116 H MET 16 H MET 16 3.013 -11.178 1.012 117 HA MET 16 HA MET 16 0.178 -10.916 1.155 118 HB2 MET 16 1HB MET 16 1.853 -10.429 -0.856 119 HB3 MET 16 2HB MET 16 1.570 -12.099 -1.270 120 HG2 MET 16 1HG MET 16 -0.625 -10.068 -0.742 121 HG3 MET 16 2HG MET 16 0.033 -10.366 -2.354 122 HE1 MET 16 3HE MET 16 -3.771 -12.006 -1.649 123 HE2 MET 16 1HE MET 16 -2.999 -10.533 -1.021 124 HE3 MET 16 2HE MET 16 -2.993 -10.822 -2.774 125 H ASP 17 H ASP 17 2.430 -13.677 0.541 126 HA ASP 17 HA ASP 17 0.483 -15.672 0.095 127 HB2 ASP 17 1HB ASP 17 2.842 -15.954 -0.460 128 HB3 ASP 17 2HB ASP 17 3.280 -15.872 1.243 129 H GLN 18 H GLN 18 2.147 -14.679 3.108 130 HA GLN 18 HA GLN 18 0.974 -16.429 4.951 131 HB2 GLN 18 1HB GLN 18 1.854 -13.565 5.248 132 HB3 GLN 18 2HB GLN 18 1.346 -14.619 6.590 133 HG2 GLN 18 1HG GLN 18 3.007 -16.319 5.891 134 HG3 GLN 18 2HG GLN 18 3.583 -15.266 4.609 135 HE21 GLN 18 2HE2 GLN 18 5.445 -15.995 5.997 136 HE22 GLN 18 1HE2 GLN 18 5.778 -15.088 7.480 137 H CYS 19 H CYS 19 -0.371 -13.428 3.507 138 HA CYS 19 HA CYS 19 -2.739 -13.386 5.209 139 HB2 CYS 19 1HB CYS 19 -1.951 -11.875 2.706 140 HB3 CYS 19 2HB CYS 19 -3.383 -11.529 3.655 141 H LYS 20 H LYS 20 -1.959 -14.145 1.760 142 HA LYS 20 HA LYS 20 -4.502 -15.065 0.928 143 HB2 LYS 20 1HB LYS 20 -2.605 -14.407 -0.489 144 HB3 LYS 20 2HB LYS 20 -1.643 -15.734 0.117 145 HG2 LYS 20 1HG LYS 20 -3.288 -17.334 -0.932 146 HG3 LYS 20 2HG LYS 20 -4.087 -15.917 -1.626 147 HD2 LYS 20 1HD LYS 20 -2.639 -16.611 -3.342 148 HD3 LYS 20 2HD LYS 20 -1.647 -15.372 -2.537 149 HE2 LYS 20 1HE LYS 20 -0.629 -17.278 -1.143 150 HE3 LYS 20 2HE LYS 20 -1.572 -18.398 -2.107 151 HZ1 LYS 20 3HZ LYS 20 -0.419 -17.440 -4.101 152 HZ2 LYS 20 1HZ LYS 20 0.575 -16.615 -3.066 153 HZ3 LYS 20 2HZ LYS 20 0.565 -18.258 -3.029 154 H ASP 21 H ASP 21 -2.460 -16.433 3.254 155 HA ASP 21 HA ASP 21 -3.443 -19.178 2.868 156 HB2 ASP 21 1HB ASP 21 -1.041 -19.182 3.142 157 HB3 ASP 21 2HB ASP 21 -1.152 -18.089 4.535 158 H GLU 22 H GLU 22 -2.769 -16.979 5.620 159 HA GLU 22 HA GLU 22 -4.617 -18.301 7.360 160 HB2 GLU 22 1HB GLU 22 -3.390 -15.509 7.369 161 HB3 GLU 22 2HB GLU 22 -4.466 -16.094 8.635 162 HG2 GLU 22 1HG GLU 22 -2.958 -18.136 8.835 163 HG3 GLU 22 2HG GLU 22 -1.776 -17.279 7.846 164 H LEU 23 H LEU 23 -5.005 -15.803 4.980 165 HA LEU 23 HA LEU 23 -7.878 -15.406 5.792 166 HG LEU 23 HG LEU 23 -5.178 -13.271 5.449 167 HB2 LEU 23 1HB LEU 23 -6.490 -14.021 3.497 168 HB3 LEU 23 2HB LEU 23 -7.973 -13.607 4.289 169 HD11 LEU 23 1HD1 LEU 23 -7.281 -11.283 4.537 170 HD12 LEU 23 2HD1 LEU 23 -5.722 -10.889 5.277 171 HD13 LEU 23 3HD1 LEU 23 -5.767 -11.676 3.692 172 HD21 LEU 23 3HD2 LEU 23 -7.861 -12.896 6.748 173 HD22 LEU 23 1HD2 LEU 23 -6.466 -13.812 7.319 174 HD23 LEU 23 2HD2 LEU 23 -6.394 -12.044 7.304 175 H SER 24 H SER 24 -5.954 -17.249 3.559 176 HA SER 24 HA SER 24 -6.481 -18.522 1.727 177 HG SER 24 HG SER 24 -8.209 -19.936 0.932 178 HB2 SER 24 1HB SER 24 -7.711 -19.647 3.423 179 HB3 SER 24 2HB SER 24 -9.108 -18.600 3.211 180 H LEU 25 H LEU 25 -6.203 -15.994 0.883 181 HA LEU 25 HA LEU 25 -8.665 -14.947 -0.274 182 HG LEU 25 HG LEU 25 -6.158 -13.009 1.360 183 HB2 LEU 25 1HB LEU 25 -5.767 -14.004 -0.698 184 HB3 LEU 25 2HB LEU 25 -7.197 -13.282 -1.387 185 HD11 LEU 25 1HD1 LEU 25 -8.016 -11.331 -0.374 186 HD12 LEU 25 2HD1 LEU 25 -7.069 -10.821 1.031 187 HD13 LEU 25 3HD1 LEU 25 -6.261 -11.328 -0.487 188 HD21 LEU 25 3HD2 LEU 25 -8.398 -12.372 2.289 189 HD22 LEU 25 1HD2 LEU 25 -9.182 -13.033 0.838 190 HD23 LEU 25 2HD2 LEU 25 -8.338 -14.106 1.953 191 HA PRO 26 HA PRO 26 -8.424 -17.549 -3.852 192 HB2 PRO 26 1HB PRO 26 -10.012 -16.166 -5.660 193 HB3 PRO 26 2HB PRO 26 -10.645 -17.114 -4.306 194 HG2 PRO 26 1HG PRO 26 -10.181 -14.173 -4.472 195 HG3 PRO 26 2HG PRO 26 -11.597 -15.005 -3.769 196 HD2 PRO 26 1HD PRO 26 -9.538 -13.970 -2.262 197 HD3 PRO 26 2HD PRO 26 -10.425 -15.432 -1.780 198 H ASP 27 H ASP 27 -7.442 -17.645 -5.948 199 HA ASP 27 HA ASP 27 -5.224 -15.975 -6.197 200 HB2 ASP 27 1HB ASP 27 -5.838 -18.365 -7.286 201 HB3 ASP 27 2HB ASP 27 -6.124 -17.351 -8.694 202 H SER 28 H SER 28 -8.446 -15.392 -7.364 203 HA SER 28 HA SER 28 -7.750 -13.681 -9.577 204 HG SER 28 HG SER 28 -10.940 -13.213 -7.740 205 HB2 SER 28 1HB SER 28 -10.166 -13.377 -9.702 206 HB3 SER 28 2HB SER 28 -9.803 -15.088 -9.474 207 H VAL 29 H VAL 29 -8.749 -13.414 -6.150 208 HA VAL 29 HA VAL 29 -8.751 -10.508 -6.155 209 HB VAL 29 HB VAL 29 -8.789 -12.595 -3.926 210 HG11 VAL 29 1HG1 VAL 29 -9.226 -10.701 -2.376 211 HG12 VAL 29 2HG1 VAL 29 -7.578 -10.699 -2.997 212 HG13 VAL 29 3HG1 VAL 29 -8.770 -9.569 -3.669 213 HG21 VAL 29 3HG2 VAL 29 -10.890 -12.185 -5.299 214 HG22 VAL 29 1HG2 VAL 29 -11.069 -11.756 -3.596 215 HG23 VAL 29 2HG2 VAL 29 -10.828 -10.485 -4.818 216 H VAL 30 H VAL 30 -6.398 -13.086 -5.246 217 HA VAL 30 HA VAL 30 -4.330 -11.405 -4.356 218 HB VAL 30 HB VAL 30 -4.294 -14.093 -5.767 219 HG11 VAL 30 1HG1 VAL 30 -2.073 -13.248 -6.037 220 HG12 VAL 30 2HG1 VAL 30 -2.000 -12.712 -4.347 221 HG13 VAL 30 3HG1 VAL 30 -2.039 -14.447 -4.742 222 HG21 VAL 30 3HG2 VAL 30 -3.710 -13.833 -2.832 223 HG22 VAL 30 1HG2 VAL 30 -5.399 -13.726 -3.356 224 HG23 VAL 30 2HG2 VAL 30 -4.446 -15.147 -3.752 225 H ALA 31 H ALA 31 -4.802 -12.772 -7.698 226 HA ALA 31 HA ALA 31 -2.608 -11.421 -8.845 227 HB1 ALA 31 1HB ALA 31 -3.748 -13.313 -9.935 228 HB2 ALA 31 2HB ALA 31 -5.230 -12.341 -10.116 229 HB3 ALA 31 3HB ALA 31 -3.755 -11.878 -10.987 230 H ASP 32 H ASP 32 -6.107 -10.480 -8.573 231 HA ASP 32 HA ASP 32 -5.594 -8.020 -9.988 232 HB2 ASP 32 1HB ASP 32 -7.867 -8.864 -8.212 233 HB3 ASP 32 2HB ASP 32 -7.772 -7.247 -8.900 234 H LEU 33 H LEU 33 -5.222 -8.832 -6.564 235 HA LEU 33 HA LEU 33 -4.827 -6.176 -5.683 236 HG LEU 33 HG LEU 33 -5.192 -7.978 -2.678 237 HB2 LEU 33 1HB LEU 33 -4.671 -8.831 -4.588 238 HB3 LEU 33 2HB LEU 33 -3.089 -8.224 -4.392 239 HD11 LEU 33 1HD1 LEU 33 -2.839 -7.757 -2.113 240 HD12 LEU 33 2HD1 LEU 33 -2.811 -6.115 -2.837 241 HD13 LEU 33 3HD1 LEU 33 -3.797 -6.450 -1.390 242 HD21 LEU 33 3HD2 LEU 33 -5.947 -5.733 -2.430 243 HD22 LEU 33 1HD2 LEU 33 -4.903 -5.153 -3.735 244 HD23 LEU 33 2HD2 LEU 33 -6.278 -6.223 -4.091 245 H TYR 34 H TYR 34 -2.664 -8.444 -7.322 246 HA TYR 34 HA TYR 34 -0.431 -6.544 -7.205 247 HD1 TYR 34 HD2 TYR 34 2.168 -7.472 -7.558 248 HD2 TYR 34 HD1 TYR 34 -0.910 -10.358 -6.699 249 HE1 TYR 34 HE2 TYR 34 3.390 -8.159 -5.539 250 HE2 TYR 34 HE1 TYR 34 0.233 -10.965 -4.593 251 HH TYR 34 HH TYR 34 2.989 -9.091 -3.454 252 HB2 TYR 34 1HB TYR 34 -0.926 -9.051 -8.820 253 HB3 TYR 34 2HB TYR 34 0.408 -7.959 -9.185 254 H ASN 35 H ASN 35 -3.035 -7.226 -9.561 255 HA ASN 35 HA ASN 35 -2.127 -5.462 -11.545 256 HB2 ASN 35 1HB ASN 35 -4.987 -6.253 -10.935 257 HB3 ASN 35 2HB ASN 35 -4.498 -5.352 -12.350 258 HD21 ASN 35 2HD2 ASN 35 -5.606 -8.318 -12.042 259 HD22 ASN 35 1HD2 ASN 35 -4.380 -9.151 -12.958 260 H PHE 36 H PHE 36 -3.850 -4.775 -8.595 261 HA PHE 36 HA PHE 36 -4.738 -2.220 -9.188 262 HD1 PHE 36 HD2 PHE 36 -6.991 -1.830 -7.655 263 HD2 PHE 36 HD1 PHE 36 -3.566 -1.489 -5.079 264 HE1 PHE 36 HE2 PHE 36 -7.999 0.177 -6.543 265 HE2 PHE 36 HE1 PHE 36 -4.547 0.487 -4.003 266 HZ PHE 36 HZ PHE 36 -6.802 1.316 -4.725 267 HB2 PHE 36 1HB PHE 36 -5.263 -3.776 -7.173 268 HB3 PHE 36 2HB PHE 36 -3.731 -3.310 -6.507 269 H TRP 37 H TRP 37 -1.438 -3.145 -8.661 270 HA TRP 37 HA TRP 37 -0.769 -0.290 -9.081 271 HD1 TRP 37 HD1 TRP 37 0.527 -3.922 -6.956 272 HE1 TRP 37 HE1 TRP 37 -0.358 -4.628 -4.635 273 HE3 TRP 37 HE3 TRP 37 -1.115 0.614 -5.284 274 HZ2 TRP 37 HZ2 TRP 37 -1.717 -3.390 -2.400 275 HZ3 TRP 37 HZ3 TRP 37 -2.152 0.842 -3.044 276 HH2 TRP 37 HH2 TRP 37 -2.448 -1.125 -1.592 277 HB2 TRP 37 1HB TRP 37 1.428 -1.341 -7.699 278 HB3 TRP 37 2HB TRP 37 0.323 -0.091 -7.243 279 H LYS 38 H LYS 38 -1.325 -2.406 -10.953 280 HA LYS 38 HA LYS 38 1.272 -2.603 -12.402 281 HB2 LYS 38 1HB LYS 38 -1.388 -3.924 -12.638 282 HB3 LYS 38 2HB LYS 38 -0.666 -3.458 -14.160 283 HG2 LYS 38 1HG LYS 38 0.013 -5.722 -13.680 284 HG3 LYS 38 2HG LYS 38 1.394 -4.628 -13.705 285 HD2 LYS 38 1HD LYS 38 1.276 -4.596 -11.140 286 HD3 LYS 38 2HD LYS 38 0.093 -5.925 -11.290 287 HE2 LYS 38 1HE LYS 38 1.608 -7.423 -12.047 288 HE3 LYS 38 2HE LYS 38 2.657 -6.214 -12.794 289 HZ1 LYS 38 3HZ LYS 38 2.497 -6.514 -9.869 290 HZ2 LYS 38 1HZ LYS 38 3.549 -7.360 -10.805 291 HZ3 LYS 38 2HZ LYS 38 3.660 -5.746 -10.780 292 H ASP 39 H ASP 39 -2.046 -1.467 -13.340 293 HA ASP 39 HA ASP 39 -0.704 0.788 -14.769 294 HB2 ASP 39 1HB ASP 39 -2.841 -1.035 -15.918 295 HB3 ASP 39 2HB ASP 39 -2.243 0.457 -16.636 296 H ASP 40 H ASP 40 -4.176 -0.163 -14.643 297 HA ASP 40 HA ASP 40 -4.755 1.859 -12.666 298 HB2 ASP 40 1HB ASP 40 -4.508 2.903 -15.238 299 HB3 ASP 40 2HB ASP 40 -6.235 2.630 -15.081 300 H TYR 41 H TYR 41 -5.606 0.132 -11.632 301 HA TYR 41 HA TYR 41 -8.099 -1.080 -12.736 302 HD1 TYR 41 HD1 TYR 41 -8.553 -3.998 -13.043 303 HD2 TYR 41 HD2 TYR 41 -6.583 -3.204 -9.323 304 HE1 TYR 41 HE1 TYR 41 -10.135 -5.491 -11.889 305 HE2 TYR 41 HE2 TYR 41 -8.196 -4.607 -8.100 306 HH TYR 41 HH TYR 41 -10.880 -6.209 -9.977 307 HB2 TYR 41 1HB TYR 41 -6.433 -2.776 -12.940 308 HB3 TYR 41 2HB TYR 41 -5.687 -2.357 -11.389 309 H VAL 42 H VAL 42 -9.793 -1.178 -11.145 310 HA VAL 42 HA VAL 42 -9.092 -0.130 -8.458 311 HB VAL 42 HB VAL 42 -11.368 0.668 -8.294 312 HG11 VAL 42 1HG1 VAL 42 -9.549 2.201 -8.945 313 HG12 VAL 42 2HG1 VAL 42 -9.894 1.888 -10.660 314 HG13 VAL 42 3HG1 VAL 42 -11.099 2.681 -9.626 315 HG21 VAL 42 3HG2 VAL 42 -12.545 -0.704 -9.899 316 HG22 VAL 42 1HG2 VAL 42 -12.772 1.011 -10.278 317 HG23 VAL 42 2HG2 VAL 42 -11.654 0.035 -11.251 318 H MET 43 H MET 43 -9.805 -1.272 -6.745 319 HA MET 43 HA MET 43 -10.316 -4.127 -7.198 320 HB2 MET 43 1HB MET 43 -10.161 -2.415 -4.691 321 HB3 MET 43 2HB MET 43 -10.578 -4.127 -4.647 322 HG2 MET 43 1HG MET 43 -8.467 -4.791 -5.562 323 HG3 MET 43 2HG MET 43 -8.021 -3.130 -5.923 324 HE1 MET 43 3HE MET 43 -8.712 -1.596 -2.727 325 HE2 MET 43 1HE MET 43 -6.949 -1.443 -2.969 326 HE3 MET 43 2HE MET 43 -8.066 -1.382 -4.354 327 H THR 44 H THR 44 -12.201 -5.109 -7.150 328 HA THR 44 HA THR 44 -14.647 -3.502 -6.622 329 HB THR 44 HB THR 44 -15.690 -5.382 -7.940 330 HG1 THR 44 1HG THR 44 -13.777 -6.784 -7.607 331 HG21 THR 44 3HG2 THR 44 -15.123 -3.192 -8.965 332 HG22 THR 44 1HG2 THR 44 -13.513 -3.807 -9.384 333 HG23 THR 44 2HG2 THR 44 -14.958 -4.531 -10.117 334 H ASP 45 H ASP 45 -12.835 -6.448 -5.560 335 HA ASP 45 HA ASP 45 -15.224 -7.298 -4.042 336 HB2 ASP 45 1HB ASP 45 -13.708 -8.990 -5.336 337 HB3 ASP 45 2HB ASP 45 -12.576 -8.772 -4.013 338 H ARG 46 H ARG 46 -15.223 -7.631 -1.916 339 HA ARG 46 HA ARG 46 -13.955 -5.683 -0.274 340 HE ARG 46 HE ARG 46 -17.313 -10.297 -0.688 341 HB2 ARG 46 1HB ARG 46 -15.231 -6.700 1.478 342 HB3 ARG 46 2HB ARG 46 -16.195 -6.584 0.010 343 HG2 ARG 46 1HG ARG 46 -15.636 -8.987 -0.567 344 HG3 ARG 46 2HG ARG 46 -15.045 -9.187 1.074 345 HD2 ARG 46 1HD ARG 46 -17.184 -9.053 1.970 346 HD3 ARG 46 2HD ARG 46 -17.791 -8.013 0.687 347 HH11 ARG 46 2HH2 ARG 46 -19.197 -9.831 2.254 348 HH12 ARG 46 1HH2 ARG 46 -20.550 -10.765 1.693 349 HH21 ARG 46 2HH1 ARG 46 -18.831 -11.677 -1.292 350 HH22 ARG 46 1HH1 ARG 46 -20.243 -12.066 -0.327 351 H LEU 47 H LEU 47 -13.177 -9.129 -0.978 352 HA LEU 47 HA LEU 47 -11.358 -9.454 1.218 353 HG LEU 47 HG LEU 47 -13.378 -11.471 0.124 354 HB2 LEU 47 1HB LEU 47 -11.595 -10.814 -1.496 355 HB3 LEU 47 2HB LEU 47 -10.375 -11.250 -0.311 356 HD11 LEU 47 1HD1 LEU 47 -11.222 -13.612 -0.203 357 HD12 LEU 47 2HD1 LEU 47 -12.966 -13.865 -0.020 358 HD13 LEU 47 3HD1 LEU 47 -12.340 -13.102 -1.485 359 HD21 LEU 47 3HD2 LEU 47 -12.662 -12.791 2.168 360 HD22 LEU 47 1HD2 LEU 47 -11.008 -12.201 1.908 361 HD23 LEU 47 2HD2 LEU 47 -12.313 -11.050 2.286 362 H ALA 48 H ALA 48 -10.945 -7.949 -2.000 363 HA ALA 48 HA ALA 48 -8.078 -7.963 -2.052 364 HB1 ALA 48 1HB ALA 48 -9.943 -5.761 -3.022 365 HB2 ALA 48 2HB ALA 48 -8.378 -6.266 -3.684 366 HB3 ALA 48 3HB ALA 48 -9.772 -7.317 -3.865 367 H GLY 49 H GLY 49 -10.383 -5.697 -0.495 368 HA2 GLY 49 1HA GLY 49 -8.384 -3.941 0.584 369 HA3 GLY 49 2HA GLY 49 -10.059 -4.120 1.153 370 H CYS 50 H CYS 50 -9.898 -6.938 1.785 371 HA CYS 50 HA CYS 50 -8.825 -6.813 4.434 372 HB2 CYS 50 1HB CYS 50 -9.520 -9.285 2.776 373 HB3 CYS 50 2HB CYS 50 -9.236 -9.232 4.485 374 H ALA 51 H ALA 51 -7.609 -8.366 1.422 375 HA ALA 51 HA ALA 51 -5.227 -9.402 2.364 376 HB1 ALA 51 1HB ALA 51 -4.819 -8.131 -0.239 377 HB2 ALA 51 2HB ALA 51 -4.913 -9.845 0.182 378 HB3 ALA 51 3HB ALA 51 -6.393 -8.948 -0.192 379 H ILE 52 H ILE 52 -5.839 -6.044 1.255 380 HA ILE 52 HA ILE 52 -3.189 -5.076 1.694 381 HB ILE 52 HB ILE 52 -5.889 -3.650 1.596 382 HG12 ILE 52 1HG1 ILE 52 -3.702 -3.962 -0.521 383 HG13 ILE 52 2HG1 ILE 52 -5.220 -4.853 -0.487 384 HG21 ILE 52 1HG2 ILE 52 -4.129 -2.326 2.757 385 HG22 ILE 52 2HG2 ILE 52 -3.090 -2.441 1.333 386 HG23 ILE 52 3HG2 ILE 52 -4.648 -1.564 1.275 387 HD11 ILE 52 3HD1 ILE 52 -4.932 -1.858 -0.898 388 HD12 ILE 52 1HD1 ILE 52 -5.350 -3.083 -2.092 389 HD13 ILE 52 2HD1 ILE 52 -6.481 -2.731 -0.760 390 H ASN 53 H ASN 53 -6.107 -4.887 3.928 391 HA ASN 53 HA ASN 53 -4.576 -3.562 5.913 392 HB2 ASN 53 1HB ASN 53 -6.270 -3.873 7.453 393 HB3 ASN 53 2HB ASN 53 -7.062 -3.683 5.896 394 HD21 ASN 53 2HD2 ASN 53 -8.965 -4.670 6.506 395 HD22 ASN 53 1HD2 ASN 53 -9.144 -6.333 7.044 396 H CYS 54 H CYS 54 -4.708 -7.002 5.185 397 HA CYS 54 HA CYS 54 -3.375 -7.847 7.576 398 HB2 CYS 54 1HB CYS 54 -4.640 -9.302 6.197 399 HB3 CYS 54 2HB CYS 54 -3.600 -9.047 4.800 400 H LEU 55 H LEU 55 -2.160 -6.780 4.385 401 HA LEU 55 HA LEU 55 0.647 -7.089 5.036 402 HG LEU 55 HG LEU 55 0.957 -6.275 1.473 403 HB2 LEU 55 1HB LEU 55 -0.825 -5.323 3.036 404 HB3 LEU 55 2HB LEU 55 0.836 -5.044 3.387 405 HD11 LEU 55 1HD1 LEU 55 2.371 -7.299 3.323 406 HD12 LEU 55 2HD1 LEU 55 1.121 -8.568 3.459 407 HD13 LEU 55 3HD1 LEU 55 2.011 -8.357 1.940 408 HD21 LEU 55 3HD2 LEU 55 -1.078 -8.201 2.586 409 HD22 LEU 55 1HD2 LEU 55 -1.392 -6.948 1.356 410 HD23 LEU 55 2HD2 LEU 55 -0.314 -8.303 0.978 411 H ALA 56 H ALA 56 -1.695 -4.592 5.796 412 HA ALA 56 HA ALA 56 0.172 -2.596 6.797 413 HB1 ALA 56 1HB ALA 56 -2.777 -2.864 7.496 414 HB2 ALA 56 2HB ALA 56 -1.781 -1.406 7.489 415 HB3 ALA 56 3HB ALA 56 -2.221 -2.190 5.958 416 H THR 57 H THR 57 -1.005 -5.560 8.117 417 HA THR 57 HA THR 57 -0.049 -4.683 10.782 418 HB THR 57 HB THR 57 -2.440 -5.669 10.356 419 HG1 THR 57 1HG THR 57 -1.964 -5.103 12.291 420 HG21 THR 57 3HG2 THR 57 -0.807 -8.204 10.792 421 HG22 THR 57 1HG2 THR 57 -2.555 -8.049 10.966 422 HG23 THR 57 2HG2 THR 57 -1.819 -7.821 9.387 423 H LYS 58 H LYS 58 1.204 -6.009 7.928 424 HA LYS 58 HA LYS 58 3.174 -7.572 9.479 425 HB2 LYS 58 1HB LYS 58 1.646 -8.254 6.951 426 HB3 LYS 58 2HB LYS 58 3.294 -8.839 7.151 427 HG2 LYS 58 1HG LYS 58 2.785 -9.840 9.290 428 HG3 LYS 58 2HG LYS 58 1.096 -9.298 9.183 429 HD2 LYS 58 1HD LYS 58 0.649 -10.707 7.261 430 HD3 LYS 58 2HD LYS 58 2.369 -11.067 7.052 431 HE2 LYS 58 1HE LYS 58 1.265 -12.986 7.963 432 HE3 LYS 58 2HE LYS 58 2.418 -12.342 9.140 433 HZ1 LYS 58 3HZ LYS 58 0.489 -11.358 10.309 434 HZ2 LYS 58 1HZ LYS 58 -0.535 -12.053 9.218 435 HZ3 LYS 58 2HZ LYS 58 0.377 -12.968 10.199 436 H LEU 59 H LEU 59 3.248 -4.764 9.092 437 HA LEU 59 HA LEU 59 4.773 -4.053 6.837 438 HG LEU 59 HG LEU 59 3.953 -0.891 8.733 439 HB2 LEU 59 1HB LEU 59 5.457 -2.790 9.481 440 HB3 LEU 59 2HB LEU 59 5.637 -2.177 7.849 441 HD11 LEU 59 1HD1 LEU 59 1.945 -1.361 7.537 442 HD12 LEU 59 2HD1 LEU 59 3.346 -1.757 6.532 443 HD13 LEU 59 3HD1 LEU 59 2.409 -3.055 7.305 444 HD21 LEU 59 3HD2 LEU 59 2.129 -1.530 10.076 445 HD22 LEU 59 1HD2 LEU 59 2.494 -3.261 9.900 446 HD23 LEU 59 2HD2 LEU 59 3.613 -2.184 10.778 447 H ASP 60 H ASP 60 5.656 -5.759 9.843 448 HA ASP 60 HA ASP 60 8.500 -5.340 9.378 449 HB2 ASP 60 1HB ASP 60 7.239 -5.356 11.614 450 HB3 ASP 60 2HB ASP 60 7.216 -7.107 11.424 451 H VAL 61 H VAL 61 6.431 -7.289 7.862 452 HA VAL 61 HA VAL 61 8.397 -9.503 7.450 453 HB VAL 61 HB VAL 61 5.392 -9.641 7.005 454 HG11 VAL 61 1HG1 VAL 61 6.693 -11.216 5.643 455 HG12 VAL 61 2HG1 VAL 61 7.549 -11.784 7.087 456 HG13 VAL 61 3HG1 VAL 61 5.809 -12.088 6.899 457 HG21 VAL 61 3HG2 VAL 61 6.968 -10.632 9.411 458 HG22 VAL 61 1HG2 VAL 61 5.656 -9.440 9.415 459 HG23 VAL 61 2HG2 VAL 61 5.302 -11.124 9.026 460 H VAL 62 H VAL 62 5.921 -7.276 5.970 461 HA VAL 62 HA VAL 62 6.798 -7.893 3.297 462 HB VAL 62 HB VAL 62 4.583 -6.864 4.356 463 HG11 VAL 62 1HG1 VAL 62 4.329 -4.543 4.372 464 HG12 VAL 62 2HG1 VAL 62 5.822 -4.856 5.276 465 HG13 VAL 62 3HG1 VAL 62 5.923 -4.274 3.599 466 HG21 VAL 62 3HG2 VAL 62 5.788 -5.816 1.796 467 HG22 VAL 62 1HG2 VAL 62 4.642 -7.202 2.020 468 HG23 VAL 62 2HG2 VAL 62 4.099 -5.550 2.274 469 H ASP 63 H ASP 63 7.851 -5.564 5.749 470 HA ASP 63 HA ASP 63 10.220 -4.990 4.055 471 HB2 ASP 63 1HB ASP 63 8.925 -3.074 3.703 472 HB3 ASP 63 2HB ASP 63 8.446 -2.958 5.359 473 HA PRO 64 HA PRO 64 11.457 -6.341 8.280 474 HB2 PRO 64 1HB PRO 64 13.212 -8.290 7.589 475 HB3 PRO 64 2HB PRO 64 11.443 -8.550 7.610 476 HG2 PRO 64 1HG PRO 64 13.186 -7.919 5.220 477 HG3 PRO 64 2HG PRO 64 11.954 -9.205 5.379 478 HD2 PRO 64 1HD PRO 64 11.427 -6.771 4.231 479 HD3 PRO 64 2HD PRO 64 10.200 -7.673 5.148 480 H ASP 65 H ASP 65 12.623 -4.369 5.899 481 HA ASP 65 HA ASP 65 15.468 -4.263 6.579 482 HB2 ASP 65 1HB ASP 65 14.313 -3.514 4.411 483 HB3 ASP 65 2HB ASP 65 13.762 -2.103 5.306 484 H GLY 66 H GLY 66 12.447 -2.798 7.683 485 HA2 GLY 66 1HA GLY 66 12.313 -2.142 9.998 486 HA3 GLY 66 2HA GLY 66 13.977 -1.596 9.936 487 H ASN 67 H ASN 67 11.616 -0.698 7.256 488 HA ASN 67 HA ASN 67 11.971 2.057 8.248 489 HB2 ASN 67 1HB ASN 67 11.630 1.062 5.425 490 HB3 ASN 67 2HB ASN 67 11.784 2.743 5.975 491 HD21 ASN 67 2HD2 ASN 67 13.530 -0.098 5.173 492 HD22 ASN 67 1HD2 ASN 67 15.124 0.476 5.595 493 H LEU 68 H LEU 68 9.631 -0.179 6.617 494 HA LEU 68 HA LEU 68 7.466 1.755 6.701 495 HG LEU 68 HG LEU 68 6.251 0.903 4.492 496 HB2 LEU 68 1HB LEU 68 7.912 -0.623 5.330 497 HB3 LEU 68 2HB LEU 68 6.929 -1.207 6.558 498 HD11 LEU 68 1HD1 LEU 68 6.132 -1.429 3.818 499 HD12 LEU 68 2HD1 LEU 68 5.087 -1.803 5.196 500 HD13 LEU 68 3HD1 LEU 68 4.489 -0.723 3.913 501 HD21 LEU 68 3HD2 LEU 68 3.949 0.996 5.505 502 HD22 LEU 68 1HD2 LEU 68 4.616 0.228 6.947 503 HD23 LEU 68 2HD2 LEU 68 5.201 1.825 6.423 504 H HIS 69 H HIS 69 6.191 2.263 8.509 505 HA HIS 69 HA HIS 69 5.728 0.182 10.501 506 HD1 HIS 69 HD1 HIS 69 8.061 -0.882 10.981 507 HD2 HIS 69 HD2 HIS 69 9.473 3.071 11.417 508 HE1 HIS 69 HE1 HIS 69 10.586 -1.044 11.072 509 HE2 HIS 69 HE2 HIS 69 11.463 1.384 11.303 510 HB2 HIS 69 1HB HIS 69 6.869 2.822 11.447 511 HB3 HIS 69 2HB HIS 69 6.465 1.422 12.382 512 H HIS 70 H HIS 70 4.050 1.063 12.228 513 HA HIS 70 HA HIS 70 1.895 2.217 10.727 514 HD1 HIS 70 HD1 HIS 70 1.813 -0.300 14.720 515 HD2 HIS 70 HD2 HIS 70 3.148 3.716 14.529 516 HE1 HIS 70 HE1 HIS 70 3.235 0.124 16.824 517 HE2 HIS 70 HE2 HIS 70 4.094 2.576 16.652 518 HB2 HIS 70 1HB HIS 70 0.723 2.464 12.902 519 HB3 HIS 70 2HB HIS 70 1.263 0.853 12.512 520 H GLY 71 H GLY 71 1.012 4.234 10.804 521 HA2 GLY 71 1HA GLY 71 1.077 6.503 10.605 522 HA3 GLY 71 2HA GLY 71 1.933 6.539 12.153 523 H ASN 72 H ASN 72 3.563 4.749 9.599 524 HA ASN 72 HA ASN 72 5.410 7.009 9.164 525 HB2 ASN 72 1HB ASN 72 5.833 5.442 11.337 526 HB3 ASN 72 2HB ASN 72 6.648 4.451 10.143 527 HD21 ASN 72 2HD2 ASN 72 8.589 5.430 9.070 528 HD22 ASN 72 1HD2 ASN 72 9.312 6.853 9.845 529 H ALA 73 H ALA 73 4.593 6.792 6.957 530 HA ALA 73 HA ALA 73 6.113 4.714 5.478 531 HB1 ALA 73 1HB ALA 73 3.873 5.376 4.658 532 HB2 ALA 73 2HB ALA 73 4.458 7.054 4.529 533 HB3 ALA 73 3HB ALA 73 5.156 5.792 3.497 534 H LYS 74 H LYS 74 7.020 7.405 7.207 535 HA LYS 74 HA LYS 74 8.117 9.112 5.186 536 HB2 LYS 74 1HB LYS 74 7.619 9.295 8.021 537 HB3 LYS 74 2HB LYS 74 9.333 9.505 7.788 538 HG2 LYS 74 1HG LYS 74 8.493 11.667 7.731 539 HG3 LYS 74 2HG LYS 74 8.789 11.291 6.023 540 HD2 LYS 74 1HD LYS 74 6.377 10.797 5.732 541 HD3 LYS 74 2HD LYS 74 6.076 11.118 7.429 542 HE2 LYS 74 1HE LYS 74 7.268 13.272 5.614 543 HE3 LYS 74 2HE LYS 74 5.532 12.912 5.661 544 HZ1 LYS 74 3HZ LYS 74 7.174 14.012 7.818 545 HZ2 LYS 74 1HZ LYS 74 5.793 14.617 7.197 546 HZ3 LYS 74 2HZ LYS 74 5.717 13.299 8.144 547 H ASP 75 H ASP 75 9.794 7.084 7.664 548 HA ASP 75 HA ASP 75 12.372 7.124 6.555 549 HB2 ASP 75 1HB ASP 75 10.861 4.941 8.060 550 HB3 ASP 75 2HB ASP 75 12.416 4.602 7.335 551 H PHE 76 H PHE 76 9.569 5.046 5.782 552 HA PHE 76 HA PHE 76 10.988 3.230 4.105 553 HD1 PHE 76 HD1 PHE 76 9.835 0.678 4.038 554 HD2 PHE 76 HD2 PHE 76 7.315 3.482 1.927 555 HE1 PHE 76 HE1 PHE 76 9.491 -0.982 2.256 556 HE2 PHE 76 HE2 PHE 76 6.990 1.826 0.141 557 HZ PHE 76 HZ PHE 76 8.073 -0.404 0.272 558 HB2 PHE 76 1HB PHE 76 8.824 2.763 5.139 559 HB3 PHE 76 2HB PHE 76 8.044 3.981 4.139 560 H ALA 77 H ALA 77 9.153 6.186 3.325 561 HA ALA 77 HA ALA 77 9.609 6.182 0.516 562 HB1 ALA 77 1HB ALA 77 8.801 8.507 0.708 563 HB2 ALA 77 2HB ALA 77 7.863 7.483 1.769 564 HB3 ALA 77 3HB ALA 77 9.142 8.508 2.444 565 H MET 78 H MET 78 11.431 7.653 3.252 566 HA MET 78 HA MET 78 13.275 9.137 1.676 567 HB2 MET 78 1HB MET 78 13.762 7.979 4.441 568 HB3 MET 78 2HB MET 78 14.688 9.234 3.628 569 HG2 MET 78 1HG MET 78 12.084 10.232 3.557 570 HG3 MET 78 2HG MET 78 12.182 9.389 5.100 571 HE1 MET 78 3HE MET 78 11.444 11.588 6.151 572 HE2 MET 78 1HE MET 78 12.332 13.127 5.987 573 HE3 MET 78 2HE MET 78 11.547 12.382 4.565 574 H LYS 79 H LYS 79 13.352 5.773 2.869 575 HA LYS 79 HA LYS 79 16.110 5.310 2.011 576 HB2 LYS 79 1HB LYS 79 13.988 3.688 3.480 577 HB3 LYS 79 2HB LYS 79 15.425 2.919 2.825 578 HG2 LYS 79 1HG LYS 79 16.162 3.368 4.911 579 HG3 LYS 79 2HG LYS 79 16.784 4.757 4.005 580 HD2 LYS 79 1HD LYS 79 14.995 6.165 4.852 581 HD3 LYS 79 2HD LYS 79 14.248 4.789 5.673 582 HE2 LYS 79 1HE LYS 79 16.983 5.919 6.339 583 HE3 LYS 79 2HE LYS 79 15.474 6.362 7.142 584 HZ1 LYS 79 3HZ LYS 79 16.218 4.759 8.503 585 HZ2 LYS 79 1HZ LYS 79 15.299 3.816 7.519 586 HZ3 LYS 79 2HZ LYS 79 16.921 3.833 7.334 587 H HIS 80 H HIS 80 13.412 5.525 0.256 588 HA HIS 80 HA HIS 80 14.208 3.340 -1.657 589 HD1 HIS 80 HD1 HIS 80 11.307 1.295 -2.876 590 HD2 HIS 80 HD2 HIS 80 12.414 2.469 1.062 591 HE1 HIS 80 HE1 HIS 80 11.325 -0.760 -1.508 592 HE2 HIS 80 HE2 HIS 80 11.898 -0.037 0.982 593 HB2 HIS 80 1HB HIS 80 11.483 4.477 -0.927 594 HB3 HIS 80 2HB HIS 80 11.756 3.884 -2.558 595 H GLY 81 H GLY 81 12.615 6.563 -1.650 596 HA2 GLY 81 1HA GLY 81 14.177 7.676 -3.792 597 HA3 GLY 81 2HA GLY 81 12.914 6.660 -4.500 598 H ALA 82 H ALA 82 12.993 8.682 -1.584 599 HA ALA 82 HA ALA 82 11.391 10.832 -2.625 600 HB1 ALA 82 1HB ALA 82 9.753 10.404 -0.594 601 HB2 ALA 82 2HB ALA 82 9.498 9.515 -2.105 602 HB3 ALA 82 3HB ALA 82 10.311 8.738 -0.750 603 H ASP 83 H ASP 83 10.894 12.135 -0.476 604 HA ASP 83 HA ASP 83 12.979 12.208 1.519 605 HB2 ASP 83 1HB ASP 83 13.450 14.664 0.970 606 HB3 ASP 83 2HB ASP 83 14.164 13.510 -0.092 607 H GLU 84 H GLU 84 12.381 14.507 2.640 608 HA GLU 84 HA GLU 84 9.973 14.100 3.980 609 HB2 GLU 84 1HB GLU 84 12.131 15.866 4.207 610 HB3 GLU 84 2HB GLU 84 10.772 16.933 3.794 611 HG2 GLU 84 1HG GLU 84 9.461 15.654 5.613 612 HG3 GLU 84 2HG GLU 84 11.035 14.958 6.046 613 H THR 85 H THR 85 10.386 16.022 1.020 614 HA THR 85 HA THR 85 7.854 17.408 1.301 615 HB THR 85 HB THR 85 9.579 16.735 -1.108 616 HG1 THR 85 1HG THR 85 10.647 18.366 -0.679 617 HG21 THR 85 3HG2 THR 85 8.309 18.637 -2.194 618 HG22 THR 85 1HG2 THR 85 7.342 17.180 -1.919 619 HG23 THR 85 2HG2 THR 85 7.161 18.590 -0.835 620 H MET 86 H MET 86 9.032 14.703 -0.719 621 HA MET 86 HA MET 86 6.526 14.025 -1.816 622 HB2 MET 86 1HB MET 86 8.970 12.320 -1.328 623 HB3 MET 86 2HB MET 86 7.689 11.889 -2.420 624 HG2 MET 86 1HG MET 86 8.503 14.555 -3.102 625 HG3 MET 86 2HG MET 86 9.965 13.641 -2.852 626 HE1 MET 86 3HE MET 86 9.233 10.707 -4.009 627 HE2 MET 86 1HE MET 86 9.635 10.900 -5.723 628 HE3 MET 86 2HE MET 86 10.716 11.577 -4.496 629 H ALA 87 H ALA 87 8.313 12.652 0.983 630 HA ALA 87 HA ALA 87 6.399 10.712 1.735 631 HB1 ALA 87 1HB ALA 87 8.778 10.834 2.521 632 HB2 ALA 87 2HB ALA 87 8.344 12.235 3.525 633 HB3 ALA 87 3HB ALA 87 7.599 10.649 3.829 634 H GLN 88 H GLN 88 6.618 14.250 2.704 635 HA GLN 88 HA GLN 88 4.391 13.901 4.537 636 HB2 GLN 88 1HB GLN 88 6.190 15.468 5.010 637 HB3 GLN 88 2HB GLN 88 5.972 16.273 3.464 638 HG2 GLN 88 1HG GLN 88 5.023 17.587 5.254 639 HG3 GLN 88 2HG GLN 88 3.746 17.036 4.157 640 HE21 GLN 88 2HE2 GLN 88 1.996 15.986 5.093 641 HE22 GLN 88 1HE2 GLN 88 1.950 15.417 6.752 642 H GLN 89 H GLN 89 4.764 14.700 1.119 643 HA GLN 89 HA GLN 89 2.078 15.716 0.694 644 HB2 GLN 89 1HB GLN 89 4.117 14.411 -1.114 645 HB3 GLN 89 2HB GLN 89 2.477 14.779 -1.604 646 HG2 GLN 89 1HG GLN 89 2.829 17.163 -0.906 647 HG3 GLN 89 2HG GLN 89 4.533 16.782 -0.624 648 HE21 GLN 89 2HE2 GLN 89 2.216 17.708 -3.053 649 HE22 GLN 89 1HE2 GLN 89 3.228 17.257 -4.398 650 H LEU 90 H LEU 90 3.533 12.399 0.195 651 HA LEU 90 HA LEU 90 1.237 11.017 -0.290 652 HG LEU 90 HG LEU 90 2.511 9.746 -1.494 653 HB2 LEU 90 1HB LEU 90 3.942 10.399 1.019 654 HB3 LEU 90 2HB LEU 90 2.713 9.205 1.014 655 HD11 LEU 90 1HD1 LEU 90 5.268 10.558 -1.423 656 HD12 LEU 90 2HD1 LEU 90 4.060 10.271 -2.742 657 HD13 LEU 90 3HD1 LEU 90 3.802 11.587 -1.621 658 HD21 LEU 90 3HD2 LEU 90 3.424 7.527 -0.514 659 HD22 LEU 90 1HD2 LEU 90 4.179 8.005 -2.040 660 HD23 LEU 90 2HD2 LEU 90 5.028 8.300 -0.498 661 H VAL 91 H VAL 91 2.693 11.470 2.899 662 HA VAL 91 HA VAL 91 0.665 10.154 4.300 663 HB VAL 91 HB VAL 91 2.987 11.534 5.047 664 HG11 VAL 91 1HG1 VAL 91 0.712 12.488 6.801 665 HG12 VAL 91 2HG1 VAL 91 2.453 12.742 7.062 666 HG13 VAL 91 3HG1 VAL 91 1.643 13.496 5.677 667 HG21 VAL 91 3HG2 VAL 91 2.352 9.297 5.759 668 HG22 VAL 91 1HG2 VAL 91 2.733 10.311 7.155 669 HG23 VAL 91 2HG2 VAL 91 1.036 9.949 6.749 670 H ASP 92 H ASP 92 0.675 13.530 3.175 671 HA ASP 92 HA ASP 92 -1.853 14.299 4.378 672 HB2 ASP 92 1HB ASP 92 -0.068 15.889 3.740 673 HB3 ASP 92 2HB ASP 92 -0.214 15.441 2.068 674 H ILE 93 H ILE 93 -0.922 12.580 1.449 675 HA ILE 93 HA ILE 93 -3.570 12.687 0.264 676 HB ILE 93 HB ILE 93 -1.501 10.487 -0.159 677 HG12 ILE 93 1HG1 ILE 93 -0.574 12.751 -0.776 678 HG13 ILE 93 2HG1 ILE 93 -0.603 11.552 -2.036 679 HG21 ILE 93 1HG2 ILE 93 -2.728 10.304 -2.398 680 HG22 ILE 93 2HG2 ILE 93 -3.637 9.794 -0.949 681 HG23 ILE 93 3HG2 ILE 93 -3.953 11.364 -1.673 682 HD11 ILE 93 3HD1 ILE 93 -2.807 13.618 -1.776 683 HD12 ILE 93 1HD1 ILE 93 -1.286 13.968 -2.593 684 HD13 ILE 93 2HD1 ILE 93 -2.303 12.655 -3.208 685 H ILE 94 H ILE 94 -1.922 10.197 2.436 686 HA ILE 94 HA ILE 94 -4.394 8.673 2.308 687 HB ILE 94 HB ILE 94 -2.120 7.650 2.511 688 HG12 ILE 94 1HG1 ILE 94 -3.010 5.962 4.316 689 HG13 ILE 94 2HG1 ILE 94 -4.495 6.917 4.258 690 HG21 ILE 94 1HG2 ILE 94 -1.125 9.044 4.222 691 HG22 ILE 94 2HG2 ILE 94 -2.281 8.460 5.432 692 HG23 ILE 94 3HG2 ILE 94 -1.111 7.355 4.697 693 HD11 ILE 94 3HD1 ILE 94 -4.649 6.434 1.833 694 HD12 ILE 94 1HD1 ILE 94 -3.096 5.550 1.915 695 HD13 ILE 94 2HD1 ILE 94 -4.500 4.956 2.814 696 H HIS 95 H HIS 95 -3.006 10.997 4.654 697 HA HIS 95 HA HIS 95 -5.160 10.690 6.605 698 HD1 HIS 95 HD1 HIS 95 -1.757 13.541 8.232 699 HD2 HIS 95 HD2 HIS 95 -3.112 9.617 7.437 700 HE1 HIS 95 HE1 HIS 95 -0.236 11.913 9.592 701 HE2 HIS 95 HE2 HIS 95 -1.105 9.557 9.136 702 HB2 HIS 95 1HB HIS 95 -3.354 13.062 5.951 703 HB3 HIS 95 2HB HIS 95 -4.461 12.992 7.306 704 H GLY 96 H GLY 96 -5.097 11.801 3.449 705 HA2 GLY 96 1HA GLY 96 -7.171 13.900 3.753 706 HA3 GLY 96 2HA GLY 96 -6.341 13.434 2.254 707 H CYS 97 H CYS 97 -6.556 10.895 1.923 708 HA CYS 97 HA CYS 97 -9.211 10.317 1.183 709 HB2 CYS 97 1HB CYS 97 -6.663 8.702 1.474 710 HB3 CYS 97 2HB CYS 97 -8.154 7.960 0.924 711 H GLU 98 H GLU 98 -7.387 9.400 4.143 712 HA GLU 98 HA GLU 98 -9.246 7.524 5.111 713 HB2 GLU 98 1HB GLU 98 -6.963 9.104 6.307 714 HB3 GLU 98 2HB GLU 98 -8.208 8.600 7.429 715 HG2 GLU 98 1HG GLU 98 -6.774 6.856 5.443 716 HG3 GLU 98 2HG GLU 98 -6.376 6.980 7.157 717 H LYS 99 H LYS 99 -9.383 11.056 5.018 718 HA LYS 99 HA LYS 99 -11.585 11.053 7.014 719 HB2 LYS 99 1HB LYS 99 -9.686 13.154 5.949 720 HB3 LYS 99 2HB LYS 99 -11.238 13.637 6.628 721 HG2 LYS 99 1HG LYS 99 -9.385 13.681 8.300 722 HG3 LYS 99 2HG LYS 99 -10.777 12.700 8.760 723 HD2 LYS 99 1HD LYS 99 -9.542 10.643 8.134 724 HD3 LYS 99 2HD LYS 99 -8.120 11.611 7.712 725 HE2 LYS 99 1HE LYS 99 -7.884 12.293 10.018 726 HE3 LYS 99 2HE LYS 99 -9.481 11.644 10.422 727 HZ1 LYS 99 3HZ LYS 99 -8.697 9.442 10.057 728 HZ2 LYS 99 1HZ LYS 99 -7.217 9.964 9.565 729 HZ3 LYS 99 2HZ LYS 99 -7.653 10.217 11.105 730 H SER 100 H SER 100 -10.828 12.044 3.685 731 HA SER 100 HA SER 100 -13.299 12.898 2.817 732 HG SER 100 HG SER 100 -13.058 11.976 -0.048 733 HB2 SER 100 1HB SER 100 -11.004 12.877 1.676 734 HB3 SER 100 2HB SER 100 -11.362 11.213 1.182 735 H ALA 101 H ALA 101 -12.174 9.598 3.267 736 HA ALA 101 HA ALA 101 -13.644 8.046 1.696 737 HB1 ALA 101 1HB ALA 101 -12.034 7.153 3.355 738 HB2 ALA 101 2HB ALA 101 -13.184 7.476 4.660 739 HB3 ALA 101 3HB ALA 101 -13.562 6.265 3.423 740 HA PRO 102 HA PRO 102 -17.813 9.202 2.677 741 HB2 PRO 102 1HB PRO 102 -19.240 7.356 1.194 742 HB3 PRO 102 2HB PRO 102 -18.382 8.763 0.487 743 HG2 PRO 102 1HG PRO 102 -17.402 5.909 0.750 744 HG3 PRO 102 2HG PRO 102 -17.381 6.970 -0.705 745 HD2 PRO 102 1HD PRO 102 -15.192 6.668 0.872 746 HD3 PRO 102 2HD PRO 102 -15.595 8.264 0.156 747 HA PRO 103 HA PRO 103 -18.668 6.963 6.174 748 HB2 PRO 103 1HB PRO 103 -21.380 7.072 6.546 749 HB3 PRO 103 2HB PRO 103 -20.282 8.486 6.696 750 HG2 PRO 103 1HG PRO 103 -21.987 7.695 4.322 751 HG3 PRO 103 2HG PRO 103 -21.767 9.315 5.052 752 HD2 PRO 103 1HD PRO 103 -20.384 8.477 2.852 753 HD3 PRO 103 2HD PRO 103 -19.640 9.568 4.058 754 H ASN 104 H ASN 104 -18.129 4.997 6.053 755 HA ASN 104 HA ASN 104 -20.204 2.918 5.861 756 HB2 ASN 104 1HB ASN 104 -19.216 2.698 3.661 757 HB3 ASN 104 2HB ASN 104 -17.573 2.738 4.328 758 HD21 ASN 104 2HD2 ASN 104 -17.431 0.645 3.064 759 HD22 ASN 104 1HD2 ASN 104 -17.956 -0.807 3.965 760 H ASP 105 H ASP 105 -16.683 3.216 6.221 761 HA ASP 105 HA ASP 105 -15.199 2.860 7.821 762 HB2 ASP 105 1HB ASP 105 -17.442 3.037 9.840 763 HB3 ASP 105 2HB ASP 105 -15.756 2.589 10.202 764 H ASP 106 H ASP 106 -14.218 1.054 7.561 765 HA ASP 106 HA ASP 106 -14.996 -1.395 8.805 766 HB2 ASP 106 1HB ASP 106 -16.204 -1.429 6.450 767 HB3 ASP 106 2HB ASP 106 -14.578 -1.328 5.795 768 H LYS 107 H LYS 107 -13.071 -3.067 8.296 769 HA LYS 107 HA LYS 107 -10.629 -1.511 7.800 770 HB2 LYS 107 1HB LYS 107 -11.239 -4.049 9.284 771 HB3 LYS 107 2HB LYS 107 -9.639 -3.900 8.569 772 HG2 LYS 107 1HG LYS 107 -10.788 -1.655 10.251 773 HG3 LYS 107 2HG LYS 107 -9.992 -3.069 10.948 774 HD2 LYS 107 1HD LYS 107 -7.885 -2.530 9.818 775 HD3 LYS 107 2HD LYS 107 -8.690 -1.349 8.790 776 HE2 LYS 107 1HE LYS 107 -9.300 -0.145 11.029 777 HE3 LYS 107 2HE LYS 107 -7.999 -1.128 11.726 778 HZ1 LYS 107 3HZ LYS 107 -7.676 0.703 9.409 779 HZ2 LYS 107 1HZ LYS 107 -7.321 1.081 10.980 780 HZ3 LYS 107 2HZ LYS 107 -6.444 -0.051 10.223 781 H CYS 108 H CYS 108 -12.730 -3.676 6.008 782 HA CYS 108 HA CYS 108 -10.452 -4.131 4.138 783 HB2 CYS 108 1HB CYS 108 -13.170 -5.458 4.087 784 HB3 CYS 108 2HB CYS 108 -11.789 -5.780 3.073 785 H MET 109 H MET 109 -13.957 -3.310 4.222 786 HA MET 109 HA MET 109 -14.132 -2.564 1.563 787 HB2 MET 109 1HB MET 109 -15.790 -1.624 3.940 788 HB3 MET 109 2HB MET 109 -16.200 -1.279 2.279 789 HG2 MET 109 1HG MET 109 -15.994 -4.019 3.569 790 HG3 MET 109 2HG MET 109 -17.446 -3.174 3.105 791 HE1 MET 109 3HE MET 109 -17.222 -2.063 0.382 792 HE2 MET 109 1HE MET 109 -15.509 -2.314 0.008 793 HE3 MET 109 2HE MET 109 -16.736 -3.173 -0.940 794 H LYS 110 H LYS 110 -13.937 -0.373 4.439 795 HA LYS 110 HA LYS 110 -13.622 2.064 3.073 796 HB2 LYS 110 1HB LYS 110 -14.093 1.727 5.532 797 HB3 LYS 110 2HB LYS 110 -12.394 1.280 5.732 798 HG2 LYS 110 1HG LYS 110 -12.336 3.761 4.385 799 HG3 LYS 110 2HG LYS 110 -13.658 3.943 5.516 800 HD2 LYS 110 1HD LYS 110 -11.049 2.814 6.571 801 HD3 LYS 110 2HD LYS 110 -11.092 4.492 6.064 802 HE2 LYS 110 1HE LYS 110 -13.064 4.882 7.590 803 HE3 LYS 110 2HE LYS 110 -12.833 3.274 8.280 804 HZ1 LYS 110 3HZ LYS 110 -10.695 5.337 8.107 805 HZ2 LYS 110 1HZ LYS 110 -11.652 5.157 9.420 806 HZ3 LYS 110 2HZ LYS 110 -10.608 3.964 8.947 807 H THR 111 H THR 111 -11.109 -0.359 4.001 808 HA THR 111 HA THR 111 -8.898 1.178 3.202 809 HB THR 111 HB THR 111 -9.237 -1.846 3.233 810 HG1 THR 111 1HG THR 111 -8.969 -1.733 5.306 811 HG21 THR 111 3HG2 THR 111 -6.823 -1.912 3.745 812 HG22 THR 111 1HG2 THR 111 -7.136 -1.249 2.134 813 HG23 THR 111 2HG2 THR 111 -6.721 -0.155 3.471 814 H ILE 112 H ILE 112 -11.214 -0.681 1.187 815 HA ILE 112 HA ILE 112 -9.572 -0.512 -1.180 816 HB ILE 112 HB ILE 112 -12.524 -1.049 -0.706 817 HG12 ILE 112 1HG1 ILE 112 -10.570 -2.911 -2.060 818 HG13 ILE 112 2HG1 ILE 112 -10.492 -2.700 -0.320 819 HG21 ILE 112 1HG2 ILE 112 -12.618 0.036 -2.784 820 HG22 ILE 112 2HG2 ILE 112 -11.161 -0.789 -3.391 821 HG23 ILE 112 3HG2 ILE 112 -12.676 -1.688 -3.139 822 HD11 ILE 112 3HD1 ILE 112 -12.873 -3.325 -0.091 823 HD12 ILE 112 1HD1 ILE 112 -12.962 -3.605 -1.845 824 HD13 ILE 112 2HD1 ILE 112 -11.903 -4.599 -0.828 825 H ASP 113 H ASP 113 -12.378 1.374 0.008 826 HA ASP 113 HA ASP 113 -12.506 3.301 -1.974 827 HB2 ASP 113 1HB ASP 113 -13.107 3.474 1.006 828 HB3 ASP 113 2HB ASP 113 -13.358 4.838 -0.077 829 H VAL 114 H VAL 114 -10.611 3.437 1.064 830 HA VAL 114 HA VAL 114 -9.294 5.909 0.567 831 HB VAL 114 HB VAL 114 -8.723 3.523 2.354 832 HG11 VAL 114 1HG1 VAL 114 -7.211 4.986 3.661 833 HG12 VAL 114 2HG1 VAL 114 -6.590 4.655 2.041 834 HG13 VAL 114 3HG1 VAL 114 -7.326 6.232 2.404 835 HG21 VAL 114 3HG2 VAL 114 -10.805 4.899 2.812 836 HG22 VAL 114 1HG2 VAL 114 -9.627 4.949 4.117 837 HG23 VAL 114 2HG2 VAL 114 -9.759 6.319 3.010 838 H ALA 115 H ALA 115 -8.251 2.504 -0.175 839 HA ALA 115 HA ALA 115 -5.690 3.243 -1.104 840 HB1 ALA 115 1HB ALA 115 -5.682 1.059 -2.219 841 HB2 ALA 115 2HB ALA 115 -6.316 0.922 -0.584 842 HB3 ALA 115 3HB ALA 115 -7.435 0.885 -1.965 843 H MET 116 H MET 116 -8.790 2.859 -2.950 844 HA MET 116 HA MET 116 -7.492 3.640 -5.436 845 HB2 MET 116 1HB MET 116 -9.687 3.687 -6.434 846 HB3 MET 116 2HB MET 116 -9.445 2.211 -5.513 847 HG2 MET 116 1HG MET 116 -10.946 2.921 -3.790 848 HG3 MET 116 2HG MET 116 -10.971 4.568 -4.342 849 HE1 MET 116 3HE MET 116 -12.564 0.992 -4.728 850 HE2 MET 116 1HE MET 116 -13.140 1.019 -6.401 851 HE3 MET 116 2HE MET 116 -11.396 1.018 -6.060 852 H CYS 117 H CYS 117 -9.228 5.418 -2.875 853 HA CYS 117 HA CYS 117 -9.401 7.909 -4.157 854 HB2 CYS 117 1HB CYS 117 -10.505 7.595 -2.086 855 HB3 CYS 117 2HB CYS 117 -9.019 7.152 -1.251 856 H PHE 118 H PHE 118 -6.672 6.489 -2.235 857 HA PHE 118 HA PHE 118 -4.978 8.641 -2.234 858 HD1 PHE 118 HD2 PHE 118 -1.932 6.908 -3.940 859 HD2 PHE 118 HD1 PHE 118 -2.972 7.441 0.243 860 HE1 PHE 118 HE2 PHE 118 0.435 7.474 -3.335 861 HE2 PHE 118 HE1 PHE 118 -0.657 8.111 0.723 862 HZ PHE 118 HZ PHE 118 1.045 8.228 -1.196 863 HB2 PHE 118 1HB PHE 118 -4.553 6.395 -1.157 864 HB3 PHE 118 2HB PHE 118 -4.073 5.765 -2.720 865 H LYS 119 H LYS 119 -5.107 6.160 -4.826 866 HA LYS 119 HA LYS 119 -3.215 7.525 -6.483 867 HB2 LYS 119 1HB LYS 119 -3.876 5.097 -6.454 868 HB3 LYS 119 2HB LYS 119 -5.330 5.541 -7.343 869 HG2 LYS 119 1HG LYS 119 -4.159 5.338 -9.262 870 HG3 LYS 119 2HG LYS 119 -3.221 6.747 -8.812 871 HD2 LYS 119 1HD LYS 119 -1.784 4.803 -9.401 872 HD3 LYS 119 2HD LYS 119 -1.526 5.260 -7.714 873 HE2 LYS 119 1HE LYS 119 -2.643 3.379 -6.868 874 HE3 LYS 119 2HE LYS 119 -3.709 3.278 -8.249 875 HZ1 LYS 119 3HZ LYS 119 -2.215 1.449 -8.220 876 HZ2 LYS 119 1HZ LYS 119 -1.920 2.365 -9.546 877 HZ3 LYS 119 2HZ LYS 119 -0.880 2.442 -8.291 878 H LYS 120 H LYS 120 -6.772 7.910 -6.167 879 HA LYS 120 HA LYS 120 -6.867 9.515 -8.552 880 HB2 LYS 120 1HB LYS 120 -8.808 8.424 -6.901 881 HB3 LYS 120 2HB LYS 120 -8.830 10.106 -6.381 882 HG2 LYS 120 1HG LYS 120 -10.432 9.941 -8.142 883 HG3 LYS 120 2HG LYS 120 -9.033 10.758 -8.830 884 HD2 LYS 120 1HD LYS 120 -9.770 9.223 -10.472 885 HD3 LYS 120 2HD LYS 120 -8.313 8.486 -9.797 886 HE2 LYS 120 1HE LYS 120 -9.633 6.936 -8.478 887 HE3 LYS 120 2HE LYS 120 -11.128 7.799 -8.857 888 HZ1 LYS 120 3HZ LYS 120 -10.854 5.785 -10.180 889 HZ2 LYS 120 1HZ LYS 120 -10.947 7.083 -11.136 890 HZ3 LYS 120 2HZ LYS 120 -9.488 6.359 -10.876 891 H GLU 121 H GLU 121 -6.116 10.249 -5.099 892 HA GLU 121 HA GLU 121 -5.938 13.133 -5.508 893 HB2 GLU 121 1HB GLU 121 -5.391 11.147 -3.339 894 HB3 GLU 121 2HB GLU 121 -4.608 12.721 -3.251 895 HG2 GLU 121 1HG GLU 121 -7.593 12.557 -3.650 896 HG3 GLU 121 2HG GLU 121 -6.887 12.272 -2.055 897 H ILE 122 H ILE 122 -3.772 10.416 -6.217 898 HA ILE 122 HA ILE 122 -1.399 11.977 -6.280 899 HB ILE 122 HB ILE 122 -2.296 9.550 -7.841 900 HG12 ILE 122 1HG1 ILE 122 -0.548 10.031 -5.407 901 HG13 ILE 122 2HG1 ILE 122 -2.034 9.180 -5.464 902 HG21 ILE 122 1HG2 ILE 122 -0.099 9.158 -8.620 903 HG22 ILE 122 2HG2 ILE 122 -0.576 10.753 -9.172 904 HG23 ILE 122 3HG2 ILE 122 0.530 10.603 -7.782 905 HD11 ILE 122 3HD1 ILE 122 0.444 8.124 -6.820 906 HD12 ILE 122 1HD1 ILE 122 -0.090 7.708 -5.214 907 HD13 ILE 122 2HD1 ILE 122 -1.090 7.286 -6.617 908 H HIS 123 H HIS 123 -4.316 12.213 -8.292 909 HA HIS 123 HA HIS 123 -3.185 13.529 -10.514 910 HD1 HIS 123 HD1 HIS 123 -6.475 13.496 -12.653 911 HD2 HIS 123 HD2 HIS 123 -5.047 10.755 -9.781 912 HE1 HIS 123 HE1 HIS 123 -6.964 11.130 -13.571 913 HE2 HIS 123 HE2 HIS 123 -6.061 9.485 -11.855 914 HB2 HIS 123 1HB HIS 123 -5.912 13.776 -9.161 915 HB3 HIS 123 2HB HIS 123 -5.470 14.600 -10.609 916 H LYS 124 H LYS 124 -3.531 14.699 -7.116 917 HA LYS 124 HA LYS 124 -3.050 17.463 -8.157 918 HB2 LYS 124 1HB LYS 124 -3.703 18.289 -5.946 919 HB3 LYS 124 2HB LYS 124 -4.944 17.481 -6.864 920 HG2 LYS 124 1HG LYS 124 -5.388 16.724 -4.754 921 HG3 LYS 124 2HG LYS 124 -4.502 15.410 -5.431 922 HD2 LYS 124 1HD LYS 124 -3.329 15.458 -3.517 923 HD3 LYS 124 2HD LYS 124 -2.446 16.839 -4.220 924 HE2 LYS 124 1HE LYS 124 -4.394 18.279 -3.280 925 HE3 LYS 124 2HE LYS 124 -4.878 16.845 -2.381 926 HZ1 LYS 124 3HZ LYS 124 -2.368 18.379 -2.092 927 HZ2 LYS 124 1HZ LYS 124 -3.569 18.214 -0.990 928 HZ3 LYS 124 2HZ LYS 124 -2.581 16.952 -1.348 929 H LEU 125 H LEU 125 -1.195 14.866 -7.292 930 HA LEU 125 HA LEU 125 0.843 16.440 -5.851 931 HG LEU 125 HG LEU 125 -0.504 13.834 -5.075 932 HB2 LEU 125 1HB LEU 125 0.985 13.707 -7.187 933 HB3 LEU 125 2HB LEU 125 2.235 14.439 -6.238 934 HD11 LEU 125 1HD1 LEU 125 0.491 11.910 -4.076 935 HD12 LEU 125 2HD1 LEU 125 0.770 11.826 -5.826 936 HD13 LEU 125 3HD1 LEU 125 2.103 12.311 -4.763 937 HD21 LEU 125 3HD2 LEU 125 0.615 15.575 -3.798 938 HD22 LEU 125 1HD2 LEU 125 0.846 14.058 -2.922 939 HD23 LEU 125 2HD2 LEU 125 2.168 14.708 -3.896 940 H ASN 126 H ASN 126 0.213 15.189 -9.098 941 HA ASN 126 HA ASN 126 0.744 15.945 -11.153 942 HB2 ASN 126 1HB ASN 126 2.799 17.955 -10.322 943 HB3 ASN 126 2HB ASN 126 1.721 17.973 -11.697 944 HD21 ASN 126 2HD2 ASN 126 -0.862 17.623 -10.247 945 HD22 ASN 126 1HD2 ASN 126 -0.954 19.029 -9.208 946 H TRP 127 H TRP 127 3.035 15.124 -8.854 947 HA TRP 127 HA TRP 127 4.819 13.881 -10.907 948 HD1 TRP 127 HD1 TRP 127 4.340 15.740 -6.989 949 HE1 TRP 127 HE1 TRP 127 4.556 14.950 -4.574 950 HE3 TRP 127 HE3 TRP 127 6.776 11.266 -7.672 951 HZ2 TRP 127 HZ2 TRP 127 4.769 12.447 -3.273 952 HZ3 TRP 127 HZ3 TRP 127 7.073 9.751 -5.741 953 HH2 TRP 127 HH2 TRP 127 5.974 10.224 -3.565 954 HB2 TRP 127 1HB TRP 127 6.362 13.309 -9.193 955 HB3 TRP 127 2HB TRP 127 5.987 15.009 -9.085 956 H VAL 128 H VAL 128 5.458 11.511 -9.831 957 HA VAL 128 HA VAL 128 2.941 9.974 -9.517 958 HB VAL 128 HB VAL 128 4.966 9.553 -11.746 959 HG11 VAL 128 1HG1 VAL 128 3.503 7.642 -12.416 960 HG12 VAL 128 2HG1 VAL 128 4.314 7.351 -10.881 961 HG13 VAL 128 3HG1 VAL 128 2.599 7.817 -10.897 962 HG21 VAL 128 3HG2 VAL 128 2.995 9.820 -13.213 963 HG22 VAL 128 1HG2 VAL 128 1.983 10.169 -11.790 964 HG23 VAL 128 2HG2 VAL 128 3.294 11.272 -12.251 965 HA PRO 129 HA PRO 129 6.117 8.253 -6.772 966 HB2 PRO 129 1HB PRO 129 4.370 6.750 -5.185 967 HB3 PRO 129 2HB PRO 129 4.839 8.451 -4.885 968 HG2 PRO 129 1HG PRO 129 2.378 7.338 -6.111 969 HG3 PRO 129 2HG PRO 129 2.547 8.790 -5.084 970 HD2 PRO 129 1HD PRO 129 2.279 8.884 -7.832 971 HD3 PRO 129 2HD PRO 129 3.180 10.119 -6.901 972 H ASN 130 H ASN 130 7.105 6.363 -6.482 973 HA ASN 130 HA ASN 130 7.049 4.128 -8.163 974 HB2 ASN 130 1HB ASN 130 7.770 4.303 -5.176 975 HB3 ASN 130 2HB ASN 130 8.086 2.897 -6.187 976 HD21 ASN 130 2HD2 ASN 130 9.693 5.554 -4.966 977 HD22 ASN 130 1HD2 ASN 130 10.906 5.677 -6.198 978 H MET 131 H MET 131 6.303 1.885 -7.779 979 HA MET 131 HA MET 131 3.745 1.370 -6.701 980 HB2 MET 131 1HB MET 131 4.940 -0.274 -8.068 981 HB3 MET 131 2HB MET 131 6.257 -0.370 -6.899 982 HG2 MET 131 1HG MET 131 4.782 -1.312 -5.217 983 HG3 MET 131 2HG MET 131 3.383 -1.134 -6.275 984 HE1 MET 131 3HE MET 131 3.885 -3.842 -8.961 985 HE2 MET 131 1HE MET 131 2.641 -3.016 -7.998 986 HE3 MET 131 2HE MET 131 3.843 -2.066 -8.888 987 H ASP 132 H ASP 132 6.976 1.101 -5.199 988 HA ASP 132 HA ASP 132 6.249 0.013 -2.801 989 HB2 ASP 132 1HB ASP 132 8.483 2.044 -3.197 990 HB3 ASP 132 2HB ASP 132 8.365 0.850 -1.904 991 H LEU 133 H LEU 133 6.838 3.511 -3.343 992 HA LEU 133 HA LEU 133 5.910 4.694 -1.108 993 HG LEU 133 HG LEU 133 6.441 7.509 -2.084 994 HB2 LEU 133 1HB LEU 133 6.030 5.327 -4.018 995 HB3 LEU 133 2HB LEU 133 4.907 6.283 -3.119 996 HD11 LEU 133 1HD1 LEU 133 8.420 5.237 -2.012 997 HD12 LEU 133 2HD1 LEU 133 8.757 6.921 -1.521 998 HD13 LEU 133 3HD1 LEU 133 7.528 6.012 -0.658 999 HD21 LEU 133 3HD2 LEU 133 8.351 8.035 -3.523 1000 HD22 LEU 133 1HD2 LEU 133 8.154 6.489 -4.356 1001 HD23 LEU 133 2HD2 LEU 133 6.912 7.738 -4.477 1002 H VAL 134 H VAL 134 3.774 3.656 -3.837 1003 HA VAL 134 HA VAL 134 1.398 4.774 -2.741 1004 HB VAL 134 HB VAL 134 1.868 2.496 -4.720 1005 HG11 VAL 134 1HG1 VAL 134 -0.411 2.828 -5.514 1006 HG12 VAL 134 2HG1 VAL 134 -0.406 2.326 -3.825 1007 HG13 VAL 134 3HG1 VAL 134 -0.712 4.025 -4.218 1008 HG21 VAL 134 3HG2 VAL 134 2.659 4.843 -5.379 1009 HG22 VAL 134 1HG2 VAL 134 1.523 4.026 -6.458 1010 HG23 VAL 134 2HG2 VAL 134 0.962 5.327 -5.362 1011 H ILE 135 H ILE 135 2.803 1.479 -2.485 1012 HA ILE 135 HA ILE 135 0.476 0.446 -1.095 1013 HB ILE 135 HB ILE 135 3.267 -0.772 -1.307 1014 HG12 ILE 135 1HG1 ILE 135 0.849 -1.303 -3.045 1015 HG13 ILE 135 2HG1 ILE 135 2.179 -0.307 -3.569 1016 HG21 ILE 135 1HG2 ILE 135 0.494 -1.878 -0.596 1017 HG22 ILE 135 2HG2 ILE 135 1.893 -2.905 -0.918 1018 HG23 ILE 135 3HG2 ILE 135 1.937 -1.804 0.447 1019 HD11 ILE 135 3HD1 ILE 135 3.736 -2.260 -3.304 1020 HD12 ILE 135 1HD1 ILE 135 2.317 -3.286 -2.995 1021 HD13 ILE 135 2HD1 ILE 135 2.474 -2.469 -4.541 1022 H GLY 136 H GLY 136 3.860 1.021 -0.109 1023 HA2 GLY 136 1HA GLY 136 4.040 0.973 2.508 1024 HA3 GLY 136 2HA GLY 136 4.646 2.371 1.605 1025 H GLU 137 H GLU 137 2.192 3.756 0.980 1026 HA GLU 137 HA GLU 137 1.801 4.930 3.582 1027 HB2 GLU 137 1HB GLU 137 0.673 5.445 0.834 1028 HB3 GLU 137 2HB GLU 137 -0.118 6.177 2.234 1029 HG2 GLU 137 1HG GLU 137 2.815 6.483 1.556 1030 HG3 GLU 137 2HG GLU 137 1.509 7.604 1.187 1031 H VAL 138 H VAL 138 -0.557 3.177 1.427 1032 HA VAL 138 HA VAL 138 -2.654 3.410 3.225 1033 HB VAL 138 HB VAL 138 -2.595 2.586 0.784 1034 HG11 VAL 138 1HG1 VAL 138 -2.902 0.227 0.360 1035 HG12 VAL 138 2HG1 VAL 138 -1.262 0.596 0.869 1036 HG13 VAL 138 3HG1 VAL 138 -2.400 -0.155 2.014 1037 HG21 VAL 138 3HG2 VAL 138 -4.415 1.408 2.891 1038 HG22 VAL 138 1HG2 VAL 138 -4.599 2.935 2.007 1039 HG23 VAL 138 2HG2 VAL 138 -4.774 1.408 1.142 1040 H LEU 139 H LEU 139 -0.272 0.807 3.013 1041 HA LEU 139 HA LEU 139 -0.824 -0.710 5.230 1042 HG LEU 139 HG LEU 139 0.592 -2.584 4.547 1043 HB2 LEU 139 1HB LEU 139 1.638 0.091 3.656 1044 HB3 LEU 139 2HB LEU 139 1.893 -0.728 5.177 1045 HD11 LEU 139 1HD1 LEU 139 -0.026 -1.248 1.918 1046 HD12 LEU 139 2HD1 LEU 139 -0.323 -2.960 2.268 1047 HD13 LEU 139 3HD1 LEU 139 -1.160 -1.715 3.200 1048 HD21 LEU 139 3HD2 LEU 139 2.688 -1.732 2.527 1049 HD22 LEU 139 1HD2 LEU 139 2.899 -2.708 3.991 1050 HD23 LEU 139 2HD2 LEU 139 2.060 -3.387 2.586 1051 H ALA 140 H ALA 140 1.184 2.255 5.165 1052 HA ALA 140 HA ALA 140 1.918 1.985 7.920 1053 HB1 ALA 140 1HB ALA 140 2.706 4.358 7.641 1054 HB2 ALA 140 2HB ALA 140 3.313 3.284 6.363 1055 HB3 ALA 140 3HB ALA 140 1.956 4.382 6.036 1056 H GLU 141 H GLU 141 -0.725 3.800 6.328 1057 HA GLU 141 HA GLU 141 -1.480 5.138 8.792 1058 HB2 GLU 141 1HB GLU 141 -2.073 5.485 6.147 1059 HB3 GLU 141 2HB GLU 141 -3.560 4.705 6.663 1060 HG2 GLU 141 1HG GLU 141 -2.316 7.308 7.599 1061 HG3 GLU 141 2HG GLU 141 -3.829 7.166 6.717 1062 H VAL 142 H VAL 142 -2.668 2.226 7.028 1063 HA VAL 142 HA VAL 142 -4.966 1.939 8.627 1064 HB VAL 142 HB VAL 142 -3.510 0.270 6.578 1065 HG11 VAL 142 1HG1 VAL 142 -4.658 -1.416 7.933 1066 HG12 VAL 142 2HG1 VAL 142 -6.185 -0.505 7.831 1067 HG13 VAL 142 3HG1 VAL 142 -5.455 -1.220 6.375 1068 HG21 VAL 142 3HG2 VAL 142 -6.171 1.797 6.663 1069 HG22 VAL 142 1HG2 VAL 142 -4.698 2.343 5.868 1070 HG23 VAL 142 2HG2 VAL 142 -5.562 0.932 5.246 Start of MODEL 6 1 HA SER 1 HA SER 1 25.199 -1.538 -5.718 2 HG SER 1 HG SER 1 24.877 -1.262 -9.488 3 H1 SER 1 H SER 1 27.359 -2.221 -6.617 4 HB2 SER 1 1HB SER 1 23.417 -1.473 -7.745 5 HB3 SER 1 2HB SER 1 24.159 -0.067 -6.993 6 HA PRO 2 HA PRO 2 24.557 -5.842 -5.770 7 HB2 PRO 2 1HB PRO 2 22.187 -6.073 -4.391 8 HB3 PRO 2 2HB PRO 2 23.699 -5.508 -3.622 9 HG2 PRO 2 1HG PRO 2 21.422 -3.826 -4.665 10 HG3 PRO 2 2HG PRO 2 22.292 -3.693 -3.104 11 HD2 PRO 2 1HD PRO 2 22.887 -2.137 -5.276 12 HD3 PRO 2 2HD PRO 2 24.131 -2.658 -4.109 13 H GLU 3 H GLU 3 23.519 -7.481 -7.061 14 HA GLU 3 HA GLU 3 21.785 -6.675 -9.208 15 HB2 GLU 3 1HB GLU 3 22.817 -9.306 -8.057 16 HB3 GLU 3 2HB GLU 3 21.612 -9.248 -9.318 17 HG2 GLU 3 1HG GLU 3 23.283 -7.969 -10.729 18 HG3 GLU 3 2HG GLU 3 24.495 -8.371 -9.499 19 H ILE 4 H ILE 4 21.427 -8.990 -6.488 20 HA ILE 4 HA ILE 4 18.530 -8.420 -6.210 21 HB ILE 4 HB ILE 4 18.121 -10.845 -6.392 22 HG12 ILE 4 1HG1 ILE 4 20.740 -11.026 -7.941 23 HG13 ILE 4 2HG1 ILE 4 20.578 -11.573 -6.272 24 HG21 ILE 4 1HG2 ILE 4 17.628 -9.078 -8.159 25 HG22 ILE 4 2HG2 ILE 4 19.093 -9.609 -8.994 26 HG23 ILE 4 3HG2 ILE 4 17.750 -10.735 -8.757 27 HD11 ILE 4 3HD1 ILE 4 18.961 -12.616 -8.615 28 HD12 ILE 4 1HD1 ILE 4 20.288 -13.444 -7.780 29 HD13 ILE 4 2HD1 ILE 4 18.782 -13.096 -6.906 30 H MET 5 H MET 5 19.969 -7.450 -4.297 31 HA MET 5 HA MET 5 19.486 -9.422 -2.104 32 HB2 MET 5 1HB MET 5 21.872 -7.559 -2.313 33 HB3 MET 5 2HB MET 5 21.404 -8.464 -0.864 34 HG2 MET 5 1HG MET 5 21.792 -10.584 -2.113 35 HG3 MET 5 2HG MET 5 22.384 -9.628 -3.490 36 HE1 MET 5 3HE MET 5 25.803 -10.953 -2.138 37 HE2 MET 5 1HE MET 5 24.274 -11.836 -2.320 38 HE3 MET 5 2HE MET 5 24.782 -10.670 -3.561 39 H LYS 6 H LYS 6 18.400 -8.556 -0.397 40 HA LYS 6 HA LYS 6 17.042 -7.220 0.719 41 HB2 LYS 6 1HB LYS 6 19.656 -5.736 0.803 42 HB3 LYS 6 2HB LYS 6 18.255 -5.281 1.789 43 HG2 LYS 6 1HG LYS 6 18.217 -7.684 2.659 44 HG3 LYS 6 2HG LYS 6 19.786 -7.903 1.850 45 HD2 LYS 6 1HD LYS 6 20.637 -5.912 3.144 46 HD3 LYS 6 2HD LYS 6 19.095 -5.871 4.027 47 HE2 LYS 6 1HE LYS 6 19.444 -8.141 4.870 48 HE3 LYS 6 2HE LYS 6 20.886 -8.332 3.863 49 HZ1 LYS 6 3HZ LYS 6 21.405 -7.847 6.141 50 HZ2 LYS 6 1HZ LYS 6 21.983 -6.659 5.131 51 HZ3 LYS 6 2HZ LYS 6 20.620 -6.417 6.090 52 H ASN 7 H ASN 7 15.851 -7.056 -1.270 53 HA ASN 7 HA ASN 7 15.281 -4.191 -1.800 54 HB2 ASN 7 1HB ASN 7 14.828 -6.516 -3.705 55 HB3 ASN 7 2HB ASN 7 14.301 -4.843 -3.932 56 HD21 ASN 7 2HD2 ASN 7 16.775 -7.039 -4.470 57 HD22 ASN 7 1HD2 ASN 7 18.083 -5.920 -4.922 58 H LEU 8 H LEU 8 12.972 -3.838 -2.169 59 HA LEU 8 HA LEU 8 11.387 -5.395 -0.330 60 HG LEU 8 HG LEU 8 9.826 -2.258 0.452 61 HB2 LEU 8 1HB LEU 8 11.568 -2.749 -0.936 62 HB3 LEU 8 2HB LEU 8 10.109 -3.145 -1.809 63 HD11 LEU 8 1HD1 LEU 8 8.684 -5.004 0.114 64 HD12 LEU 8 2HD1 LEU 8 8.160 -3.824 1.317 65 HD13 LEU 8 3HD1 LEU 8 7.998 -3.426 -0.396 66 HD21 LEU 8 3HD2 LEU 8 10.860 -4.855 1.624 67 HD22 LEU 8 1HD2 LEU 8 11.839 -3.387 1.498 68 HD23 LEU 8 2HD2 LEU 8 10.375 -3.410 2.478 69 H SER 9 H SER 9 11.838 -7.204 -1.949 70 HA SER 9 HA SER 9 9.592 -7.567 -3.874 71 HG SER 9 HG SER 9 10.740 -6.806 -5.510 72 HB2 SER 9 1HB SER 9 12.530 -7.896 -4.005 73 HB3 SER 9 2HB SER 9 11.673 -9.287 -4.583 74 H ASN 10 H ASN 10 11.925 -9.868 -2.425 75 HA ASN 10 HA ASN 10 10.240 -11.985 -2.221 76 HB2 ASN 10 1HB ASN 10 12.420 -11.452 -0.130 77 HB3 ASN 10 2HB ASN 10 11.850 -12.997 -0.677 78 HD21 ASN 10 2HD2 ASN 10 13.810 -10.241 -1.301 79 HD22 ASN 10 1HD2 ASN 10 14.693 -10.783 -2.684 80 H ASN 11 H ASN 11 10.762 -9.542 0.155 81 HA ASN 11 HA ASN 11 9.390 -10.622 2.459 82 HB2 ASN 11 1HB ASN 11 9.379 -8.001 2.911 83 HB3 ASN 11 2HB ASN 11 10.769 -8.959 3.189 84 HD21 ASN 11 2HD2 ASN 11 12.692 -7.771 2.410 85 HD22 ASN 11 1HD2 ASN 11 12.665 -6.965 0.856 86 H PHE 12 H PHE 12 8.654 -8.075 0.049 87 HA PHE 12 HA PHE 12 6.148 -7.398 0.874 88 HD1 PHE 12 HD2 PHE 12 4.127 -6.745 -0.181 89 HD2 PHE 12 HD1 PHE 12 7.205 -4.607 -2.337 90 HE1 PHE 12 HE2 PHE 12 2.869 -4.649 0.079 91 HE2 PHE 12 HE1 PHE 12 5.924 -2.504 -2.038 92 HZ PHE 12 HZ PHE 12 3.834 -2.502 -0.767 93 HB2 PHE 12 1HB PHE 12 7.754 -6.582 -1.105 94 HB3 PHE 12 2HB PHE 12 6.696 -7.546 -2.114 95 H GLY 13 H GLY 13 7.051 -9.811 -1.637 96 HA2 GLY 13 1HA GLY 13 4.455 -10.862 -2.075 97 HA3 GLY 13 2HA GLY 13 5.996 -11.616 -2.497 98 H LYS 14 H LYS 14 6.868 -11.698 0.530 99 HA LYS 14 HA LYS 14 5.622 -14.230 1.161 100 HB2 LYS 14 1HB LYS 14 7.818 -14.146 1.880 101 HB3 LYS 14 2HB LYS 14 7.767 -12.420 2.267 102 HG2 LYS 14 1HG LYS 14 6.401 -12.838 4.169 103 HG3 LYS 14 2HG LYS 14 6.409 -14.594 3.878 104 HD2 LYS 14 1HD LYS 14 9.022 -14.334 4.061 105 HD3 LYS 14 2HD LYS 14 8.671 -12.726 4.712 106 HE2 LYS 14 1HE LYS 14 8.766 -14.026 6.670 107 HE3 LYS 14 2HE LYS 14 7.042 -13.978 6.321 108 HZ1 LYS 14 3HZ LYS 14 8.930 -16.186 5.986 109 HZ2 LYS 14 1HZ LYS 14 7.495 -16.190 6.745 110 HZ3 LYS 14 2HZ LYS 14 7.546 -16.181 5.083 111 H ALA 15 H ALA 15 5.489 -10.816 2.416 112 HA ALA 15 HA ALA 15 3.578 -11.484 4.423 113 HB1 ALA 15 1HB ALA 15 4.971 -9.422 4.398 114 HB2 ALA 15 2HB ALA 15 4.019 -8.806 3.034 115 HB3 ALA 15 3HB ALA 15 3.250 -9.068 4.620 116 H MET 16 H MET 16 3.170 -10.489 1.014 117 HA MET 16 HA MET 16 0.346 -10.392 0.995 118 HB2 MET 16 1HB MET 16 2.113 -9.779 -0.862 119 HB3 MET 16 2HB MET 16 1.941 -11.452 -1.365 120 HG2 MET 16 1HG MET 16 -0.372 -9.513 -0.978 121 HG3 MET 16 2HG MET 16 0.387 -9.820 -2.531 122 HE1 MET 16 3HE MET 16 -3.408 -11.563 -1.802 123 HE2 MET 16 1HE MET 16 -2.673 -10.179 -0.982 124 HE3 MET 16 2HE MET 16 -2.705 -10.218 -2.758 125 H ASP 17 H ASP 17 2.607 -13.077 0.421 126 HA ASP 17 HA ASP 17 0.728 -15.152 -0.104 127 HB2 ASP 17 1HB ASP 17 3.221 -15.131 -0.489 128 HB3 ASP 17 2HB ASP 17 3.442 -15.481 1.236 129 H GLN 18 H GLN 18 2.138 -14.025 2.982 130 HA GLN 18 HA GLN 18 0.841 -15.914 4.677 131 HB2 GLN 18 1HB GLN 18 1.870 -13.112 5.203 132 HB3 GLN 18 2HB GLN 18 1.165 -14.180 6.434 133 HG2 GLN 18 1HG GLN 18 2.751 -15.977 5.810 134 HG3 GLN 18 2HG GLN 18 3.543 -14.891 4.669 135 HE21 GLN 18 2HE2 GLN 18 5.167 -15.811 6.166 136 HE22 GLN 18 1HE2 GLN 18 5.432 -15.050 7.736 137 H CYS 19 H CYS 19 -0.319 -12.802 3.284 138 HA CYS 19 HA CYS 19 -2.748 -12.794 4.908 139 HB2 CYS 19 1HB CYS 19 -1.987 -11.286 2.379 140 HB3 CYS 19 2HB CYS 19 -3.427 -10.987 3.350 141 H LYS 20 H LYS 20 -1.734 -13.712 1.593 142 HA LYS 20 HA LYS 20 -4.218 -14.736 0.666 143 HB2 LYS 20 1HB LYS 20 -2.191 -14.049 -0.636 144 HB3 LYS 20 2HB LYS 20 -1.376 -15.484 -0.038 145 HG2 LYS 20 1HG LYS 20 -3.243 -16.849 -1.198 146 HG3 LYS 20 2HG LYS 20 -3.752 -15.328 -1.879 147 HD2 LYS 20 1HD LYS 20 -2.276 -16.283 -3.505 148 HD3 LYS 20 2HD LYS 20 -1.283 -15.079 -2.677 149 HE2 LYS 20 1HE LYS 20 0.139 -16.948 -2.642 150 HE3 LYS 20 2HE LYS 20 -0.656 -17.091 -1.054 151 HZ1 LYS 20 3HZ LYS 20 -2.148 -18.691 -1.969 152 HZ2 LYS 20 1HZ LYS 20 -1.491 -18.556 -3.483 153 HZ3 LYS 20 2HZ LYS 20 -0.625 -19.156 -2.199 154 H ASP 21 H ASP 21 -2.153 -15.931 3.145 155 HA ASP 21 HA ASP 21 -3.082 -18.700 2.827 156 HB2 ASP 21 1HB ASP 21 -0.669 -18.474 3.054 157 HB3 ASP 21 2HB ASP 21 -0.845 -17.476 4.497 158 H GLU 22 H GLU 22 -2.553 -16.342 5.477 159 HA GLU 22 HA GLU 22 -4.258 -17.635 7.321 160 HB2 GLU 22 1HB GLU 22 -3.389 -14.705 7.160 161 HB3 GLU 22 2HB GLU 22 -4.159 -15.487 8.554 162 HG2 GLU 22 1HG GLU 22 -2.340 -17.143 8.615 163 HG3 GLU 22 2HG GLU 22 -1.467 -16.286 7.364 164 H LEU 23 H LEU 23 -4.867 -15.326 4.757 165 HA LEU 23 HA LEU 23 -7.720 -15.039 5.663 166 HG LEU 23 HG LEU 23 -5.331 -12.734 5.460 167 HB2 LEU 23 1HB LEU 23 -6.451 -13.573 3.349 168 HB3 LEU 23 2HB LEU 23 -7.973 -13.307 4.073 169 HD11 LEU 23 1HD1 LEU 23 -5.780 -11.255 3.531 170 HD12 LEU 23 2HD1 LEU 23 -7.384 -10.868 4.191 171 HD13 LEU 23 3HD1 LEU 23 -5.923 -10.371 5.061 172 HD21 LEU 23 3HD2 LEU 23 -7.145 -13.241 7.075 173 HD22 LEU 23 1HD2 LEU 23 -6.683 -11.538 7.126 174 HD23 LEU 23 2HD2 LEU 23 -8.180 -12.024 6.295 175 H SER 24 H SER 24 -5.663 -16.702 3.366 176 HA SER 24 HA SER 24 -6.119 -17.907 1.467 177 HG SER 24 HG SER 24 -6.966 -19.801 3.756 178 HB2 SER 24 1HB SER 24 -8.420 -18.360 3.263 179 HB3 SER 24 2HB SER 24 -8.488 -19.011 1.600 180 H LEU 25 H LEU 25 -5.935 -15.499 0.724 181 HA LEU 25 HA LEU 25 -8.346 -14.467 -0.571 182 HG LEU 25 HG LEU 25 -5.879 -12.608 1.236 183 HB2 LEU 25 1HB LEU 25 -5.435 -13.519 -0.847 184 HB3 LEU 25 2HB LEU 25 -6.814 -12.740 -1.557 185 HD11 LEU 25 1HD1 LEU 25 -6.680 -10.381 0.981 186 HD12 LEU 25 2HD1 LEU 25 -5.817 -10.854 -0.523 187 HD13 LEU 25 3HD1 LEU 25 -7.575 -10.783 -0.493 188 HD21 LEU 25 3HD2 LEU 25 -8.853 -12.517 0.570 189 HD22 LEU 25 1HD2 LEU 25 -8.122 -13.659 1.693 190 HD23 LEU 25 2HD2 LEU 25 -8.135 -11.933 2.082 191 HA PRO 26 HA PRO 26 -7.772 -17.095 -4.111 192 HB2 PRO 26 1HB PRO 26 -9.393 -15.896 -5.972 193 HB3 PRO 26 2HB PRO 26 -10.025 -16.717 -4.523 194 HG2 PRO 26 1HG PRO 26 -9.496 -13.777 -4.894 195 HG3 PRO 26 2HG PRO 26 -10.995 -14.534 -4.274 196 HD2 PRO 26 1HD PRO 26 -9.111 -13.532 -2.597 197 HD3 PRO 26 2HD PRO 26 -9.962 -15.047 -2.211 198 H ASP 27 H ASP 27 -6.914 -17.160 -6.366 199 HA ASP 27 HA ASP 27 -4.782 -15.343 -6.750 200 HB2 ASP 27 1HB ASP 27 -5.480 -17.861 -7.724 201 HB3 ASP 27 2HB ASP 27 -5.528 -16.854 -9.143 202 H SER 28 H SER 28 -8.068 -14.974 -7.633 203 HA SER 28 HA SER 28 -7.659 -13.036 -9.771 204 HG SER 28 HG SER 28 -9.670 -11.231 -9.326 205 HB2 SER 28 1HB SER 28 -9.897 -14.107 -9.352 206 HB3 SER 28 2HB SER 28 -10.005 -13.128 -7.878 207 H VAL 29 H VAL 29 -8.481 -12.806 -6.235 208 HA VAL 29 HA VAL 29 -8.145 -10.010 -6.165 209 HB VAL 29 HB VAL 29 -8.144 -12.071 -3.954 210 HG11 VAL 29 1HG1 VAL 29 -8.249 -9.033 -3.740 211 HG12 VAL 29 2HG1 VAL 29 -8.690 -10.150 -2.433 212 HG13 VAL 29 3HG1 VAL 29 -7.027 -10.108 -3.031 213 HG21 VAL 29 3HG2 VAL 29 -10.273 -11.727 -5.353 214 HG22 VAL 29 1HG2 VAL 29 -10.442 -11.355 -3.635 215 HG23 VAL 29 2HG2 VAL 29 -10.266 -10.048 -4.825 216 H VAL 30 H VAL 30 -5.810 -12.636 -5.535 217 HA VAL 30 HA VAL 30 -3.682 -10.964 -4.598 218 HB VAL 30 HB VAL 30 -3.764 -13.658 -5.986 219 HG11 VAL 30 1HG1 VAL 30 -1.555 -14.095 -4.903 220 HG12 VAL 30 2HG1 VAL 30 -1.503 -12.917 -6.231 221 HG13 VAL 30 3HG1 VAL 30 -1.435 -12.359 -4.545 222 HG21 VAL 30 3HG2 VAL 30 -4.861 -13.245 -3.574 223 HG22 VAL 30 1HG2 VAL 30 -3.958 -14.691 -3.982 224 HG23 VAL 30 2HG2 VAL 30 -3.179 -13.393 -3.052 225 H ALA 31 H ALA 31 -4.571 -12.128 -7.927 226 HA ALA 31 HA ALA 31 -2.224 -10.863 -9.121 227 HB1 ALA 31 1HB ALA 31 -3.355 -12.800 -10.200 228 HB2 ALA 31 2HB ALA 31 -4.827 -11.822 -10.388 229 HB3 ALA 31 3HB ALA 31 -3.345 -11.352 -11.243 230 H ASP 32 H ASP 32 -5.593 -10.084 -8.589 231 HA ASP 32 HA ASP 32 -5.933 -7.646 -9.992 232 HB2 ASP 32 1HB ASP 32 -7.185 -8.829 -7.514 233 HB3 ASP 32 2HB ASP 32 -7.614 -7.252 -8.055 234 H LEU 33 H LEU 33 -4.794 -8.376 -6.663 235 HA LEU 33 HA LEU 33 -4.434 -5.724 -5.848 236 HG LEU 33 HG LEU 33 -4.522 -5.739 -3.794 237 HB2 LEU 33 1HB LEU 33 -3.642 -8.378 -4.849 238 HB3 LEU 33 2HB LEU 33 -2.319 -7.272 -4.689 239 HD11 LEU 33 1HD1 LEU 33 -5.564 -7.075 -2.083 240 HD12 LEU 33 2HD1 LEU 33 -5.958 -7.636 -3.720 241 HD13 LEU 33 3HD1 LEU 33 -4.789 -8.553 -2.726 242 HD21 LEU 33 3HD2 LEU 33 -2.267 -5.718 -2.959 243 HD22 LEU 33 1HD2 LEU 33 -3.452 -5.910 -1.648 244 HD23 LEU 33 2HD2 LEU 33 -2.500 -7.321 -2.201 245 H TYR 34 H TYR 34 -1.963 -7.929 -7.263 246 HA TYR 34 HA TYR 34 0.047 -5.889 -7.486 247 HD1 TYR 34 HD2 TYR 34 -0.331 -9.293 -6.378 248 HD2 TYR 34 HD1 TYR 34 2.996 -7.397 -8.354 249 HE1 TYR 34 HE2 TYR 34 1.177 -10.165 -4.635 250 HE2 TYR 34 HE1 TYR 34 4.525 -8.282 -6.607 251 HH TYR 34 HH TYR 34 4.258 -10.503 -4.716 252 HB2 TYR 34 1HB TYR 34 -0.398 -8.540 -8.875 253 HB3 TYR 34 2HB TYR 34 0.864 -7.450 -9.420 254 H ASN 35 H ASN 35 -2.676 -6.765 -9.599 255 HA ASN 35 HA ASN 35 -1.900 -5.137 -11.827 256 HB2 ASN 35 1HB ASN 35 -4.435 -6.510 -10.999 257 HB3 ASN 35 2HB ASN 35 -4.522 -5.307 -12.255 258 HD21 ASN 35 2HD2 ASN 35 -5.094 -8.103 -12.689 259 HD22 ASN 35 1HD2 ASN 35 -3.823 -8.776 -13.712 260 H PHE 36 H PHE 36 -3.471 -4.378 -8.792 261 HA PHE 36 HA PHE 36 -4.954 -2.126 -9.532 262 HD1 PHE 36 HD1 PHE 36 -7.037 -1.877 -7.671 263 HD2 PHE 36 HD2 PHE 36 -3.346 -0.551 -5.908 264 HE1 PHE 36 HE1 PHE 36 -8.236 -0.032 -6.504 265 HE2 PHE 36 HE2 PHE 36 -4.546 1.220 -4.668 266 HZ PHE 36 HZ PHE 36 -7.000 1.407 -4.895 267 HB2 PHE 36 1HB PHE 36 -4.955 -3.417 -7.291 268 HB3 PHE 36 2HB PHE 36 -3.444 -2.626 -6.941 269 H TRP 37 H TRP 37 -1.799 -2.059 -7.879 270 HA TRP 37 HA TRP 37 -1.039 0.519 -9.011 271 HD1 TRP 37 HD1 TRP 37 0.297 -3.221 -7.345 272 HE1 TRP 37 HE1 TRP 37 -0.289 -4.316 -5.100 273 HE3 TRP 37 HE3 TRP 37 -1.269 0.926 -4.823 274 HZ2 TRP 37 HZ2 TRP 37 -1.683 -3.523 -2.647 275 HZ3 TRP 37 HZ3 TRP 37 -2.236 0.738 -2.526 276 HH2 TRP 37 HH2 TRP 37 -2.448 -1.469 -1.458 277 HB2 TRP 37 1HB TRP 37 1.129 -0.361 -7.582 278 HB3 TRP 37 2HB TRP 37 -0.183 0.612 -7.001 279 H LYS 38 H LYS 38 -1.568 -1.091 -11.044 280 HA LYS 38 HA LYS 38 1.052 -1.188 -12.401 281 HB2 LYS 38 1HB LYS 38 0.692 -3.514 -11.722 282 HB3 LYS 38 2HB LYS 38 -0.921 -3.473 -12.449 283 HG2 LYS 38 1HG LYS 38 0.015 -3.248 -14.674 284 HG3 LYS 38 2HG LYS 38 1.643 -3.069 -14.036 285 HD2 LYS 38 1HD LYS 38 0.003 -5.568 -13.493 286 HD3 LYS 38 2HD LYS 38 0.867 -5.388 -15.012 287 HE2 LYS 38 1HE LYS 38 2.274 -5.125 -12.330 288 HE3 LYS 38 2HE LYS 38 2.044 -6.686 -13.139 289 HZ1 LYS 38 3HZ LYS 38 3.435 -4.380 -14.353 290 HZ2 LYS 38 1HZ LYS 38 4.196 -5.652 -13.661 291 HZ3 LYS 38 2HZ LYS 38 3.299 -5.895 -15.006 292 H ASP 39 H ASP 39 -2.420 -2.008 -13.153 293 HA ASP 39 HA ASP 39 -2.148 -0.143 -15.487 294 HB2 ASP 39 1HB ASP 39 -3.222 -2.844 -15.199 295 HB3 ASP 39 2HB ASP 39 -4.340 -1.727 -15.992 296 H ASP 40 H ASP 40 -3.752 -0.546 -12.528 297 HA ASP 40 HA ASP 40 -4.923 0.930 -11.348 298 HB2 ASP 40 1HB ASP 40 -4.159 2.790 -12.799 299 HB3 ASP 40 2HB ASP 40 -5.619 2.598 -13.770 300 H TYR 41 H TYR 41 -6.046 -1.081 -11.154 301 HA TYR 41 HA TYR 41 -8.607 -1.284 -12.623 302 HD1 TYR 41 HD1 TYR 41 -10.279 -4.150 -11.453 303 HD2 TYR 41 HD2 TYR 41 -6.551 -3.699 -9.346 304 HE1 TYR 41 HE1 TYR 41 -11.130 -5.590 -9.633 305 HE2 TYR 41 HE2 TYR 41 -7.495 -4.890 -7.399 306 HH TYR 41 HH TYR 41 -10.320 -6.882 -7.727 307 HB2 TYR 41 1HB TYR 41 -8.209 -3.452 -12.600 308 HB3 TYR 41 2HB TYR 41 -6.721 -3.221 -11.719 309 H VAL 42 H VAL 42 -10.605 -1.491 -11.521 310 HA VAL 42 HA VAL 42 -10.720 -0.030 -8.972 311 HB VAL 42 HB VAL 42 -12.943 -0.861 -10.867 312 HG11 VAL 42 1HG1 VAL 42 -13.653 -0.532 -8.413 313 HG12 VAL 42 2HG1 VAL 42 -13.196 1.183 -8.627 314 HG13 VAL 42 3HG1 VAL 42 -14.462 0.446 -9.623 315 HG21 VAL 42 3HG2 VAL 42 -11.614 1.849 -10.365 316 HG22 VAL 42 1HG2 VAL 42 -11.502 0.871 -11.856 317 HG23 VAL 42 2HG2 VAL 42 -13.048 1.578 -11.396 318 H MET 43 H MET 43 -10.415 -1.246 -7.272 319 HA MET 43 HA MET 43 -11.025 -3.973 -6.862 320 HB2 MET 43 1HB MET 43 -11.066 -1.643 -4.956 321 HB3 MET 43 2HB MET 43 -11.106 -3.329 -4.436 322 HG2 MET 43 1HG MET 43 -8.841 -3.684 -5.107 323 HG3 MET 43 2HG MET 43 -8.797 -2.198 -6.049 324 HE1 MET 43 3HE MET 43 -6.829 -3.137 -3.145 325 HE2 MET 43 1HE MET 43 -6.465 -2.099 -4.539 326 HE3 MET 43 2HE MET 43 -6.472 -1.410 -2.903 327 H THR 44 H THR 44 -12.878 -5.012 -6.696 328 HA THR 44 HA THR 44 -15.343 -3.659 -5.725 329 HB THR 44 HB THR 44 -16.398 -5.504 -7.251 330 HG1 THR 44 1HG THR 44 -14.717 -6.689 -7.917 331 HG21 THR 44 3HG2 THR 44 -14.905 -3.117 -8.456 332 HG22 THR 44 1HG2 THR 44 -16.226 -4.015 -9.219 333 HG23 THR 44 2HG2 THR 44 -16.529 -3.095 -7.736 334 H ASP 45 H ASP 45 -13.213 -6.511 -5.491 335 HA ASP 45 HA ASP 45 -14.970 -7.850 -3.588 336 HB2 ASP 45 1HB ASP 45 -13.234 -9.005 -5.062 337 HB3 ASP 45 2HB ASP 45 -12.005 -8.366 -3.995 338 H ARG 46 H ARG 46 -15.019 -7.416 -1.533 339 HA ARG 46 HA ARG 46 -13.605 -5.312 -0.170 340 HE ARG 46 HE ARG 46 -17.161 -9.604 0.424 341 HB2 ARG 46 1HB ARG 46 -14.543 -6.203 1.875 342 HB3 ARG 46 2HB ARG 46 -15.755 -6.103 0.598 343 HG2 ARG 46 1HG ARG 46 -15.408 -8.542 0.083 344 HG3 ARG 46 2HG ARG 46 -14.339 -8.664 1.481 345 HD2 ARG 46 1HD ARG 46 -16.046 -8.625 2.964 346 HD3 ARG 46 2HD ARG 46 -16.997 -7.448 2.051 347 HH11 ARG 46 2HH2 ARG 46 -18.021 -9.050 3.844 348 HH12 ARG 46 1HH2 ARG 46 -19.183 -10.341 3.879 349 HH21 ARG 46 2HH1 ARG 46 -18.670 -11.315 0.506 350 HH22 ARG 46 1HH1 ARG 46 -19.578 -11.634 1.941 351 H LEU 47 H LEU 47 -12.820 -8.727 -0.772 352 HA LEU 47 HA LEU 47 -10.841 -9.033 1.227 353 HG LEU 47 HG LEU 47 -12.828 -11.028 0.001 354 HB2 LEU 47 1HB LEU 47 -11.044 -10.258 -1.541 355 HB3 LEU 47 2HB LEU 47 -9.834 -10.709 -0.356 356 HD11 LEU 47 1HD1 LEU 47 -10.678 -13.174 -0.350 357 HD12 LEU 47 2HD1 LEU 47 -12.430 -13.385 -0.349 358 HD13 LEU 47 3HD1 LEU 47 -11.659 -12.534 -1.678 359 HD21 LEU 47 3HD2 LEU 47 -10.543 -11.753 1.870 360 HD22 LEU 47 1HD2 LEU 47 -11.933 -10.693 2.187 361 HD23 LEU 47 2HD2 LEU 47 -12.178 -12.425 1.990 362 H ALA 48 H ALA 48 -10.590 -7.298 -1.920 363 HA ALA 48 HA ALA 48 -7.758 -7.228 -2.032 364 HB1 ALA 48 1HB ALA 48 -9.248 -6.433 -3.848 365 HB2 ALA 48 2HB ALA 48 -9.752 -5.059 -2.839 366 HB3 ALA 48 3HB ALA 48 -8.064 -5.203 -3.374 367 H GLY 49 H GLY 49 -10.059 -5.148 -0.286 368 HA2 GLY 49 1HA GLY 49 -8.060 -3.407 0.876 369 HA3 GLY 49 2HA GLY 49 -9.739 -3.568 1.405 370 H CYS 50 H CYS 50 -9.429 -6.551 1.779 371 HA CYS 50 HA CYS 50 -8.466 -6.479 4.512 372 HB2 CYS 50 1HB CYS 50 -9.157 -8.919 2.846 373 HB3 CYS 50 2HB CYS 50 -8.962 -8.825 4.585 374 H ALA 51 H ALA 51 -7.178 -7.911 1.435 375 HA ALA 51 HA ALA 51 -4.798 -8.940 2.486 376 HB1 ALA 51 1HB ALA 51 -4.459 -9.450 0.332 377 HB2 ALA 51 2HB ALA 51 -5.877 -8.506 -0.130 378 HB3 ALA 51 3HB ALA 51 -4.272 -7.749 -0.107 379 H ILE 52 H ILE 52 -5.488 -5.610 1.341 380 HA ILE 52 HA ILE 52 -2.928 -4.444 1.897 381 HB ILE 52 HB ILE 52 -5.734 -3.323 1.652 382 HG12 ILE 52 1HG1 ILE 52 -3.286 -3.296 -0.182 383 HG13 ILE 52 2HG1 ILE 52 -4.657 -4.378 -0.364 384 HG21 ILE 52 1HG2 ILE 52 -4.728 -1.119 1.478 385 HG22 ILE 52 2HG2 ILE 52 -4.365 -1.777 3.059 386 HG23 ILE 52 3HG2 ILE 52 -3.108 -1.772 1.805 387 HD11 ILE 52 3HD1 ILE 52 -6.162 -2.450 -0.754 388 HD12 ILE 52 1HD1 ILE 52 -4.760 -1.357 -0.700 389 HD13 ILE 52 2HD1 ILE 52 -4.844 -2.598 -1.940 390 H ASN 53 H ASN 53 -5.926 -4.384 4.046 391 HA ASN 53 HA ASN 53 -4.341 -3.173 6.081 392 HB2 ASN 53 1HB ASN 53 -6.073 -3.358 7.595 393 HB3 ASN 53 2HB ASN 53 -6.850 -3.123 6.032 394 HD21 ASN 53 2HD2 ASN 53 -8.790 -4.165 6.217 395 HD22 ASN 53 1HD2 ASN 53 -8.984 -5.810 6.820 396 H CYS 54 H CYS 54 -4.603 -6.573 5.224 397 HA CYS 54 HA CYS 54 -3.484 -7.559 7.692 398 HB2 CYS 54 1HB CYS 54 -4.611 -9.118 6.422 399 HB3 CYS 54 2HB CYS 54 -3.820 -8.667 4.907 400 H LEU 55 H LEU 55 -2.049 -6.391 4.627 401 HA LEU 55 HA LEU 55 0.675 -7.008 5.202 402 HG LEU 55 HG LEU 55 -0.693 -7.333 2.755 403 HB2 LEU 55 1HB LEU 55 -0.661 -4.893 3.482 404 HB3 LEU 55 2HB LEU 55 1.065 -5.024 3.574 405 HD11 LEU 55 1HD1 LEU 55 -1.046 -5.480 1.189 406 HD12 LEU 55 2HD1 LEU 55 0.707 -5.286 0.982 407 HD13 LEU 55 3HD1 LEU 55 -0.105 -6.757 0.410 408 HD21 LEU 55 3HD2 LEU 55 1.465 -8.099 3.429 409 HD22 LEU 55 1HD2 LEU 55 1.391 -8.154 1.665 410 HD23 LEU 55 2HD2 LEU 55 2.281 -6.843 2.462 411 H ALA 56 H ALA 56 -1.387 -4.308 6.180 412 HA ALA 56 HA ALA 56 0.689 -2.622 7.339 413 HB1 ALA 56 1HB ALA 56 -1.762 -1.983 6.646 414 HB2 ALA 56 2HB ALA 56 -2.258 -2.758 8.163 415 HB3 ALA 56 3HB ALA 56 -1.171 -1.377 8.204 416 H THR 57 H THR 57 -0.972 -5.585 8.427 417 HA THR 57 HA THR 57 -0.158 -5.028 11.187 418 HB THR 57 HB THR 57 -1.265 -6.923 11.875 419 HG1 THR 57 1HG THR 57 -1.329 -7.719 9.157 420 HG21 THR 57 3HG2 THR 57 -3.511 -6.619 11.358 421 HG22 THR 57 1HG2 THR 57 -2.822 -5.028 11.026 422 HG23 THR 57 2HG2 THR 57 -3.195 -6.131 9.690 423 H LYS 58 H LYS 58 1.427 -5.880 8.307 424 HA LYS 58 HA LYS 58 3.174 -7.817 9.623 425 HB2 LYS 58 1HB LYS 58 1.754 -7.852 6.956 426 HB3 LYS 58 2HB LYS 58 3.289 -8.691 7.134 427 HG2 LYS 58 1HG LYS 58 2.472 -9.880 9.104 428 HG3 LYS 58 2HG LYS 58 0.864 -9.141 8.871 429 HD2 LYS 58 1HD LYS 58 0.850 -10.099 6.513 430 HD3 LYS 58 2HD LYS 58 2.346 -10.961 6.888 431 HE2 LYS 58 1HE LYS 58 -0.320 -11.300 8.323 432 HE3 LYS 58 2HE LYS 58 0.277 -12.351 7.047 433 HZ1 LYS 58 3HZ LYS 58 2.189 -12.874 8.518 434 HZ2 LYS 58 1HZ LYS 58 1.421 -12.026 9.739 435 HZ3 LYS 58 2HZ LYS 58 0.708 -13.339 9.086 436 H LEU 59 H LEU 59 3.580 -4.972 9.636 437 HA LEU 59 HA LEU 59 5.304 -4.234 7.508 438 HG LEU 59 HG LEU 59 4.645 -1.110 9.102 439 HB2 LEU 59 1HB LEU 59 5.787 -3.195 10.305 440 HB3 LEU 59 2HB LEU 59 6.340 -2.559 8.763 441 HD11 LEU 59 1HD1 LEU 59 2.735 -1.512 7.802 442 HD12 LEU 59 2HD1 LEU 59 4.133 -2.217 6.994 443 HD13 LEU 59 3HD1 LEU 59 2.954 -3.260 7.844 444 HD21 LEU 59 3HD2 LEU 59 3.051 -3.186 10.582 445 HD22 LEU 59 1HD2 LEU 59 4.021 -1.863 11.265 446 HD23 LEU 59 2HD2 LEU 59 2.587 -1.489 10.294 447 H ASP 60 H ASP 60 5.875 -6.376 10.284 448 HA ASP 60 HA ASP 60 8.798 -6.202 9.835 449 HB2 ASP 60 1HB ASP 60 7.595 -6.180 12.182 450 HB3 ASP 60 2HB ASP 60 7.623 -7.928 11.971 451 H VAL 61 H VAL 61 6.973 -7.285 7.938 452 HA VAL 61 HA VAL 61 8.244 -9.887 7.439 453 HB VAL 61 HB VAL 61 5.304 -9.455 6.797 454 HG11 VAL 61 1HG1 VAL 61 6.922 -11.994 7.100 455 HG12 VAL 61 2HG1 VAL 61 5.268 -11.841 6.466 456 HG13 VAL 61 3HG1 VAL 61 6.627 -11.155 5.559 457 HG21 VAL 61 3HG2 VAL 61 6.320 -10.846 9.299 458 HG22 VAL 61 1HG2 VAL 61 5.292 -9.396 9.229 459 HG23 VAL 61 2HG2 VAL 61 4.671 -10.946 8.653 460 H VAL 62 H VAL 62 6.007 -7.318 6.155 461 HA VAL 62 HA VAL 62 6.931 -7.699 3.452 462 HB VAL 62 HB VAL 62 4.711 -6.697 4.583 463 HG11 VAL 62 1HG1 VAL 62 4.541 -4.376 4.911 464 HG12 VAL 62 2HG1 VAL 62 6.023 -4.875 5.755 465 HG13 VAL 62 3HG1 VAL 62 6.142 -4.084 4.180 466 HG21 VAL 62 3HG2 VAL 62 4.268 -5.129 2.650 467 HG22 VAL 62 1HG2 VAL 62 5.931 -5.440 2.123 468 HG23 VAL 62 2HG2 VAL 62 4.732 -6.775 2.213 469 H ASP 63 H ASP 63 8.051 -5.765 6.116 470 HA ASP 63 HA ASP 63 10.242 -4.671 4.419 471 HB2 ASP 63 1HB ASP 63 8.603 -2.976 4.528 472 HB3 ASP 63 2HB ASP 63 8.398 -3.163 6.256 473 HA PRO 64 HA PRO 64 11.912 -6.728 8.222 474 HB2 PRO 64 1HB PRO 64 13.706 -8.360 7.041 475 HB3 PRO 64 2HB PRO 64 11.963 -8.726 6.980 476 HG2 PRO 64 1HG PRO 64 13.591 -7.196 4.879 477 HG3 PRO 64 2HG PRO 64 12.635 -8.689 4.613 478 HD2 PRO 64 1HD PRO 64 11.568 -6.264 4.160 479 HD3 PRO 64 2HD PRO 64 10.586 -7.531 4.983 480 H ASP 65 H ASP 65 12.762 -4.304 6.186 481 HA ASP 65 HA ASP 65 15.578 -3.942 6.857 482 HB2 ASP 65 1HB ASP 65 13.476 -2.213 5.481 483 HB3 ASP 65 2HB ASP 65 15.171 -1.785 5.680 484 H GLY 66 H GLY 66 12.363 -3.097 8.096 485 HA2 GLY 66 1HA GLY 66 11.870 -2.432 10.266 486 HA3 GLY 66 2HA GLY 66 13.580 -2.113 10.583 487 H ASN 67 H ASN 67 11.727 -0.946 7.709 488 HA ASN 67 HA ASN 67 12.443 1.811 8.416 489 HB2 ASN 67 1HB ASN 67 11.281 0.660 5.841 490 HB3 ASN 67 2HB ASN 67 11.747 2.325 6.169 491 HD21 ASN 67 2HD2 ASN 67 14.359 0.958 7.473 492 HD22 ASN 67 1HD2 ASN 67 15.291 0.637 6.020 493 H LEU 68 H LEU 68 9.779 -0.285 7.243 494 HA LEU 68 HA LEU 68 7.734 1.757 7.452 495 HG LEU 68 HG LEU 68 6.612 1.227 5.357 496 HB2 LEU 68 1HB LEU 68 8.065 -0.644 6.077 497 HB3 LEU 68 2HB LEU 68 6.958 -1.110 7.287 498 HD11 LEU 68 1HD1 LEU 68 4.896 -0.194 4.276 499 HD12 LEU 68 2HD1 LEU 68 6.537 -0.845 4.167 500 HD13 LEU 68 3HD1 LEU 68 5.390 -1.542 5.325 501 HD21 LEU 68 3HD2 LEU 68 4.553 0.145 7.293 502 HD22 LEU 68 1HD2 LEU 68 5.317 1.745 7.347 503 HD23 LEU 68 2HD2 LEU 68 4.260 1.318 6.008 504 H HIS 69 H HIS 69 6.398 2.164 9.193 505 HA HIS 69 HA HIS 69 5.942 0.098 11.178 506 HD1 HIS 69 HD1 HIS 69 7.908 -0.984 12.830 507 HD2 HIS 69 HD2 HIS 69 9.674 2.612 11.466 508 HE1 HIS 69 HE1 HIS 69 10.402 -1.474 12.492 509 HE2 HIS 69 HE2 HIS 69 11.469 0.693 11.630 510 HB2 HIS 69 1HB HIS 69 7.140 2.764 12.064 511 HB3 HIS 69 2HB HIS 69 6.484 1.532 13.104 512 H HIS 70 H HIS 70 4.278 1.079 12.830 513 HA HIS 70 HA HIS 70 2.091 2.007 11.205 514 HD1 HIS 70 HD1 HIS 70 3.365 -0.358 14.827 515 HD2 HIS 70 HD2 HIS 70 2.242 3.704 15.204 516 HE1 HIS 70 HE1 HIS 70 4.671 0.611 16.816 517 HE2 HIS 70 HE2 HIS 70 3.854 3.054 17.130 518 HB2 HIS 70 1HB HIS 70 0.879 2.137 13.392 519 HB3 HIS 70 2HB HIS 70 1.593 0.561 13.037 520 H GLY 71 H GLY 71 1.134 3.942 11.060 521 HA2 GLY 71 1HA GLY 71 0.950 6.155 10.823 522 HA3 GLY 71 2HA GLY 71 1.902 6.407 12.288 523 H ASN 72 H ASN 72 3.749 4.453 10.127 524 HA ASN 72 HA ASN 72 5.371 6.865 9.514 525 HB2 ASN 72 1HB ASN 72 5.737 5.577 11.795 526 HB3 ASN 72 2HB ASN 72 6.495 4.374 10.791 527 HD21 ASN 72 2HD2 ASN 72 8.391 4.979 9.501 528 HD22 ASN 72 1HD2 ASN 72 9.377 6.307 10.016 529 H ALA 73 H ALA 73 4.895 6.536 7.198 530 HA ALA 73 HA ALA 73 6.391 4.263 5.980 531 HB1 ALA 73 1HB ALA 73 4.706 6.459 4.737 532 HB2 ALA 73 2HB ALA 73 5.524 5.174 3.853 533 HB3 ALA 73 3HB ALA 73 4.209 4.774 4.956 534 H LYS 74 H LYS 74 7.365 7.012 7.492 535 HA LYS 74 HA LYS 74 8.406 8.572 5.370 536 HB2 LYS 74 1HB LYS 74 8.006 8.789 8.224 537 HB3 LYS 74 2HB LYS 74 9.693 9.150 7.913 538 HG2 LYS 74 1HG LYS 74 9.131 10.986 6.446 539 HG3 LYS 74 2HG LYS 74 7.504 10.352 6.194 540 HD2 LYS 74 1HD LYS 74 7.125 12.184 7.457 541 HD3 LYS 74 2HD LYS 74 6.955 10.830 8.580 542 HE2 LYS 74 1HE LYS 74 9.331 11.377 9.385 543 HE3 LYS 74 2HE LYS 74 9.263 12.812 8.346 544 HZ1 LYS 74 3HZ LYS 74 7.679 12.225 10.749 545 HZ2 LYS 74 1HZ LYS 74 8.555 13.582 10.363 546 HZ3 LYS 74 2HZ LYS 74 7.096 13.271 9.637 547 H ASP 75 H ASP 75 10.125 6.581 7.835 548 HA ASP 75 HA ASP 75 12.632 6.596 6.653 549 HB2 ASP 75 1HB ASP 75 11.424 4.099 7.862 550 HB3 ASP 75 2HB ASP 75 13.103 4.560 7.810 551 H PHE 76 H PHE 76 9.782 4.635 5.890 552 HA PHE 76 HA PHE 76 11.099 2.685 4.236 553 HD1 PHE 76 HD1 PHE 76 9.839 0.286 4.230 554 HD2 PHE 76 HD2 PHE 76 7.315 3.054 2.022 555 HE1 PHE 76 HE1 PHE 76 9.372 -1.451 2.587 556 HE2 PHE 76 HE2 PHE 76 6.936 1.320 0.357 557 HZ PHE 76 HZ PHE 76 7.916 -0.946 0.603 558 HB2 PHE 76 1HB PHE 76 8.884 2.347 5.313 559 HB3 PHE 76 2HB PHE 76 8.171 3.594 4.304 560 H ALA 77 H ALA 77 9.439 5.734 3.526 561 HA ALA 77 HA ALA 77 9.649 5.599 0.662 562 HB1 ALA 77 1HB ALA 77 8.754 7.802 0.821 563 HB2 ALA 77 2HB ALA 77 8.065 6.952 2.168 564 HB3 ALA 77 3HB ALA 77 9.418 8.060 2.455 565 H MET 78 H MET 78 11.615 7.062 3.264 566 HA MET 78 HA MET 78 13.514 8.386 1.635 567 HB2 MET 78 1HB MET 78 13.927 7.185 4.394 568 HB3 MET 78 2HB MET 78 14.959 8.398 3.641 569 HG2 MET 78 1HG MET 78 12.063 9.093 3.776 570 HG3 MET 78 2HG MET 78 12.885 8.911 5.321 571 HE1 MET 78 3HE MET 78 11.298 11.352 4.408 572 HE2 MET 78 1HE MET 78 12.114 11.134 5.974 573 HE3 MET 78 2HE MET 78 12.365 12.621 5.040 574 H LYS 79 H LYS 79 13.452 4.992 2.748 575 HA LYS 79 HA LYS 79 16.077 4.508 1.490 576 HB2 LYS 79 1HB LYS 79 14.590 3.357 3.716 577 HB3 LYS 79 2HB LYS 79 15.071 2.078 2.617 578 HG2 LYS 79 1HG LYS 79 16.926 4.243 3.670 579 HG3 LYS 79 2HG LYS 79 16.746 2.646 4.396 580 HD2 LYS 79 1HD LYS 79 18.369 1.872 3.016 581 HD3 LYS 79 2HD LYS 79 17.262 2.082 1.684 582 HE2 LYS 79 1HE LYS 79 19.101 3.279 0.943 583 HE3 LYS 79 2HE LYS 79 18.098 4.564 1.610 584 HZ1 LYS 79 3HZ LYS 79 20.411 3.267 2.935 585 HZ2 LYS 79 1HZ LYS 79 20.384 4.756 2.297 586 HZ3 LYS 79 2HZ LYS 79 19.490 4.456 3.631 587 H HIS 80 H HIS 80 13.559 5.045 -0.009 588 HA HIS 80 HA HIS 80 14.167 2.960 -2.064 589 HD1 HIS 80 HD1 HIS 80 11.065 1.055 -3.244 590 HD2 HIS 80 HD2 HIS 80 12.171 1.938 0.751 591 HE1 HIS 80 HE1 HIS 80 10.325 -0.932 -1.824 592 HE2 HIS 80 HE2 HIS 80 10.932 -0.325 0.657 593 HB2 HIS 80 1HB HIS 80 11.452 4.029 -1.252 594 HB3 HIS 80 2HB HIS 80 11.741 3.456 -2.873 595 H GLY 81 H GLY 81 12.462 6.154 -1.611 596 HA2 GLY 81 1HA GLY 81 14.074 7.645 -3.415 597 HA3 GLY 81 2HA GLY 81 12.828 6.800 -4.338 598 H ALA 82 H ALA 82 12.903 8.470 -1.149 599 HA ALA 82 HA ALA 82 11.150 10.550 -2.189 600 HB1 ALA 82 1HB ALA 82 9.618 10.304 -0.185 601 HB2 ALA 82 2HB ALA 82 9.545 8.905 -1.269 602 HB3 ALA 82 3HB ALA 82 10.515 8.865 0.236 603 H ASP 83 H ASP 83 10.832 12.191 -0.345 604 HA ASP 83 HA ASP 83 12.955 12.216 1.705 605 HB2 ASP 83 1HB ASP 83 12.320 14.603 -0.077 606 HB3 ASP 83 2HB ASP 83 13.317 14.644 1.383 607 H GLU 84 H GLU 84 12.175 14.234 3.276 608 HA GLU 84 HA GLU 84 9.707 13.564 4.441 609 HB2 GLU 84 1HB GLU 84 11.467 15.959 4.483 610 HB3 GLU 84 2HB GLU 84 9.824 16.230 5.009 611 HG2 GLU 84 1HG GLU 84 9.982 14.498 6.719 612 HG3 GLU 84 2HG GLU 84 11.648 14.142 6.248 613 H THR 85 H THR 85 10.232 15.848 1.854 614 HA THR 85 HA THR 85 7.681 17.096 1.800 615 HB THR 85 HB THR 85 9.638 16.446 -0.451 616 HG1 THR 85 1HG THR 85 10.551 17.702 1.147 617 HG21 THR 85 3HG2 THR 85 8.596 18.327 -1.675 618 HG22 THR 85 1HG2 THR 85 7.417 17.037 -1.383 619 HG23 THR 85 2HG2 THR 85 7.383 18.503 -0.383 620 H MET 86 H MET 86 8.843 14.436 -0.362 621 HA MET 86 HA MET 86 6.273 13.682 -1.297 622 HB2 MET 86 1HB MET 86 8.832 12.104 -0.958 623 HB3 MET 86 2HB MET 86 7.483 11.522 -1.890 624 HG2 MET 86 1HG MET 86 7.772 13.115 -3.577 625 HG3 MET 86 2HG MET 86 8.585 14.249 -2.522 626 HE1 MET 86 3HE MET 86 8.947 11.649 -5.258 627 HE2 MET 86 1HE MET 86 10.508 10.863 -4.943 628 HE3 MET 86 2HE MET 86 9.122 10.533 -3.879 629 H ALA 87 H ALA 87 8.240 12.469 1.447 630 HA ALA 87 HA ALA 87 6.455 10.391 2.140 631 HB1 ALA 87 1HB ALA 87 8.506 11.710 3.932 632 HB2 ALA 87 2HB ALA 87 7.848 10.060 4.015 633 HB3 ALA 87 3HB ALA 87 8.905 10.511 2.675 634 H GLN 88 H GLN 88 6.352 13.848 2.967 635 HA GLN 88 HA GLN 88 4.184 13.309 4.886 636 HB2 GLN 88 1HB GLN 88 6.000 14.858 5.430 637 HB3 GLN 88 2HB GLN 88 5.725 15.772 3.947 638 HG2 GLN 88 1HG GLN 88 4.823 16.983 5.792 639 HG3 GLN 88 2HG GLN 88 3.482 16.407 4.784 640 HE21 GLN 88 2HE2 GLN 88 2.010 14.910 5.648 641 HE22 GLN 88 1HE2 GLN 88 2.057 14.344 7.295 642 H GLN 89 H GLN 89 4.646 14.402 1.530 643 HA GLN 89 HA GLN 89 2.020 15.471 1.075 644 HB2 GLN 89 1HB GLN 89 4.060 14.240 -0.808 645 HB3 GLN 89 2HB GLN 89 2.468 14.807 -1.313 646 HG2 GLN 89 1HG GLN 89 3.048 17.062 -0.194 647 HG3 GLN 89 2HG GLN 89 4.684 16.421 -0.060 648 HE21 GLN 89 2HE2 GLN 89 2.825 15.709 -2.897 649 HE22 GLN 89 1HE2 GLN 89 3.615 16.862 -3.941 650 H LEU 90 H LEU 90 3.372 12.167 0.411 651 HA LEU 90 HA LEU 90 1.016 10.962 -0.395 652 HG LEU 90 HG LEU 90 2.322 9.891 -1.747 653 HB2 LEU 90 1HB LEU 90 3.651 10.042 0.931 654 HB3 LEU 90 2HB LEU 90 2.355 8.910 0.595 655 HD11 LEU 90 1HD1 LEU 90 3.620 11.708 -1.554 656 HD12 LEU 90 2HD1 LEU 90 5.057 10.631 -1.461 657 HD13 LEU 90 3HD1 LEU 90 3.885 10.545 -2.829 658 HD21 LEU 90 3HD2 LEU 90 4.048 8.213 -2.478 659 HD22 LEU 90 1HD2 LEU 90 4.663 8.163 -0.815 660 HD23 LEU 90 2HD2 LEU 90 3.058 7.520 -1.169 661 H VAL 91 H VAL 91 2.414 11.006 2.840 662 HA VAL 91 HA VAL 91 0.332 9.556 4.037 663 HB VAL 91 HB VAL 91 2.657 10.739 4.966 664 HG11 VAL 91 1HG1 VAL 91 0.380 11.812 6.671 665 HG12 VAL 91 2HG1 VAL 91 2.120 11.943 6.995 666 HG13 VAL 91 3HG1 VAL 91 1.412 12.777 5.602 667 HG21 VAL 91 3HG2 VAL 91 1.757 8.532 5.592 668 HG22 VAL 91 1HG2 VAL 91 2.246 9.482 7.003 669 HG23 VAL 91 2HG2 VAL 91 0.514 9.318 6.590 670 H ASP 92 H ASP 92 0.506 13.049 3.229 671 HA ASP 92 HA ASP 92 -1.941 13.772 4.457 672 HB2 ASP 92 1HB ASP 92 0.012 15.212 3.319 673 HB3 ASP 92 2HB ASP 92 -1.066 15.141 1.924 674 H ILE 93 H ILE 93 -1.248 12.157 1.352 675 HA ILE 93 HA ILE 93 -3.915 12.578 0.297 676 HB ILE 93 HB ILE 93 -1.892 10.518 -0.619 677 HG12 ILE 93 1HG1 ILE 93 -2.421 13.430 -1.340 678 HG13 ILE 93 2HG1 ILE 93 -0.898 12.654 -0.930 679 HG21 ILE 93 1HG2 ILE 93 -3.228 10.413 -2.673 680 HG22 ILE 93 2HG2 ILE 93 -4.295 10.084 -1.311 681 HG23 ILE 93 3HG2 ILE 93 -4.301 11.691 -2.082 682 HD11 ILE 93 3HD1 ILE 93 -0.951 11.426 -3.084 683 HD12 ILE 93 1HD1 ILE 93 -2.410 12.346 -3.548 684 HD13 ILE 93 2HD1 ILE 93 -0.915 13.205 -3.257 685 H ILE 94 H ILE 94 -2.390 10.037 2.327 686 HA ILE 94 HA ILE 94 -4.815 8.372 2.121 687 HB ILE 94 HB ILE 94 -2.570 7.390 2.184 688 HG12 ILE 94 1HG1 ILE 94 -3.638 5.857 4.328 689 HG13 ILE 94 2HG1 ILE 94 -5.026 6.530 3.476 690 HG21 ILE 94 1HG2 ILE 94 -1.511 8.693 3.895 691 HG22 ILE 94 2HG2 ILE 94 -2.594 8.044 5.142 692 HG23 ILE 94 3HG2 ILE 94 -1.451 6.975 4.292 693 HD11 ILE 94 3HD1 ILE 94 -4.195 5.570 1.369 694 HD12 ILE 94 1HD1 ILE 94 -2.722 5.004 2.201 695 HD13 ILE 94 2HD1 ILE 94 -4.316 4.332 2.622 696 H HIS 95 H HIS 95 -3.406 10.669 4.473 697 HA HIS 95 HA HIS 95 -5.607 10.336 6.315 698 HD1 HIS 95 HD1 HIS 95 -2.486 12.978 8.480 699 HD2 HIS 95 HD2 HIS 95 -3.637 9.197 7.039 700 HE1 HIS 95 HE1 HIS 95 -1.220 11.216 9.889 701 HE2 HIS 95 HE2 HIS 95 -2.049 8.889 8.983 702 HB2 HIS 95 1HB HIS 95 -3.713 12.668 5.779 703 HB3 HIS 95 2HB HIS 95 -4.899 12.648 7.081 704 H GLY 96 H GLY 96 -5.160 12.291 3.378 705 HA2 GLY 96 1HA GLY 96 -7.530 13.866 3.721 706 HA3 GLY 96 2HA GLY 96 -6.703 13.518 2.186 707 H CYS 97 H CYS 97 -6.859 10.842 1.928 708 HA CYS 97 HA CYS 97 -9.536 10.454 1.032 709 HB2 CYS 97 1HB CYS 97 -7.080 8.742 1.257 710 HB3 CYS 97 2HB CYS 97 -8.586 8.095 0.631 711 H GLU 98 H GLU 98 -7.797 9.199 3.972 712 HA GLU 98 HA GLU 98 -9.710 7.281 4.634 713 HB2 GLU 98 1HB GLU 98 -8.747 6.930 6.605 714 HB3 GLU 98 2HB GLU 98 -7.480 7.369 5.457 715 HG2 GLU 98 1HG GLU 98 -6.652 8.630 6.820 716 HG3 GLU 98 2HG GLU 98 -7.947 9.766 6.538 717 H LYS 99 H LYS 99 -9.713 10.573 4.953 718 HA LYS 99 HA LYS 99 -12.211 10.794 6.526 719 HB2 LYS 99 1HB LYS 99 -10.104 12.747 5.618 720 HB3 LYS 99 2HB LYS 99 -11.749 13.364 5.733 721 HG2 LYS 99 1HG LYS 99 -10.778 13.754 7.845 722 HG3 LYS 99 2HG LYS 99 -11.946 12.459 8.034 723 HD2 LYS 99 1HD LYS 99 -9.549 11.073 7.563 724 HD3 LYS 99 2HD LYS 99 -8.996 12.478 8.446 725 HE2 LYS 99 1HE LYS 99 -11.196 10.532 9.293 726 HE3 LYS 99 2HE LYS 99 -9.544 10.547 9.912 727 HZ1 LYS 99 3HZ LYS 99 -10.947 11.660 11.426 728 HZ2 LYS 99 1HZ LYS 99 -10.030 12.844 10.728 729 HZ3 LYS 99 2HZ LYS 99 -11.568 12.663 10.268 730 H SER 100 H SER 100 -11.254 11.600 3.039 731 HA SER 100 HA SER 100 -13.855 12.382 2.348 732 HG SER 100 HG SER 100 -12.521 13.846 1.125 733 HB2 SER 100 1HB SER 100 -11.497 11.201 0.810 734 HB3 SER 100 2HB SER 100 -12.946 11.838 0.065 735 H ALA 101 H ALA 101 -12.594 9.181 2.983 736 HA ALA 101 HA ALA 101 -14.100 7.616 1.351 737 HB1 ALA 101 1HB ALA 101 -13.967 5.889 3.116 738 HB2 ALA 101 2HB ALA 101 -12.435 6.752 2.901 739 HB3 ALA 101 3HB ALA 101 -13.475 7.134 4.293 740 HA PRO 102 HA PRO 102 -18.258 8.731 2.402 741 HB2 PRO 102 1HB PRO 102 -19.641 6.578 1.280 742 HB3 PRO 102 2HB PRO 102 -18.908 7.920 0.348 743 HG2 PRO 102 1HG PRO 102 -17.763 5.195 0.965 744 HG3 PRO 102 2HG PRO 102 -17.807 6.041 -0.619 745 HD2 PRO 102 1HD PRO 102 -15.608 6.024 0.957 746 HD3 PRO 102 2HD PRO 102 -16.044 7.494 0.036 747 HA PRO 103 HA PRO 103 -19.381 6.831 6.185 748 HB2 PRO 103 1HB PRO 103 -22.106 6.852 6.282 749 HB3 PRO 103 2HB PRO 103 -21.121 8.347 6.343 750 HG2 PRO 103 1HG PRO 103 -22.511 7.117 3.943 751 HG3 PRO 103 2HG PRO 103 -22.497 8.824 4.466 752 HD2 PRO 103 1HD PRO 103 -20.847 7.855 2.537 753 HD3 PRO 103 2HD PRO 103 -20.332 9.171 3.637 754 H ASN 104 H ASN 104 -18.741 4.818 6.248 755 HA ASN 104 HA ASN 104 -20.491 2.579 5.685 756 HB2 ASN 104 1HB ASN 104 -19.579 3.011 3.424 757 HB3 ASN 104 2HB ASN 104 -17.942 2.961 4.059 758 HD21 ASN 104 2HD2 ASN 104 -17.519 1.295 2.536 759 HD22 ASN 104 1HD2 ASN 104 -18.004 -0.374 2.878 760 H ASP 105 H ASP 105 -17.195 3.690 6.417 761 HA ASP 105 HA ASP 105 -15.560 3.020 7.791 762 HB2 ASP 105 1HB ASP 105 -17.869 2.918 9.754 763 HB3 ASP 105 2HB ASP 105 -16.131 2.944 10.143 764 H ASP 106 H ASP 106 -14.754 1.131 7.081 765 HA ASP 106 HA ASP 106 -15.516 -1.440 8.392 766 HB2 ASP 106 1HB ASP 106 -16.685 -0.981 6.056 767 HB3 ASP 106 2HB ASP 106 -15.051 -1.006 5.444 768 H LYS 107 H LYS 107 -13.572 -3.019 8.244 769 HA LYS 107 HA LYS 107 -11.062 -1.507 8.188 770 HB2 LYS 107 1HB LYS 107 -11.894 -4.287 9.029 771 HB3 LYS 107 2HB LYS 107 -10.245 -4.070 8.464 772 HG2 LYS 107 1HG LYS 107 -10.478 -1.939 10.138 773 HG3 LYS 107 2HG LYS 107 -11.579 -3.067 10.919 774 HD2 LYS 107 1HD LYS 107 -9.829 -4.694 11.214 775 HD3 LYS 107 2HD LYS 107 -8.736 -3.853 10.105 776 HE2 LYS 107 1HE LYS 107 -9.670 -2.732 12.779 777 HE3 LYS 107 2HE LYS 107 -8.133 -3.563 12.497 778 HZ1 LYS 107 3HZ LYS 107 -7.882 -1.206 12.441 779 HZ2 LYS 107 1HZ LYS 107 -7.487 -1.812 11.005 780 HZ3 LYS 107 2HZ LYS 107 -8.926 -1.014 11.191 781 H CYS 108 H CYS 108 -12.918 -3.384 5.994 782 HA CYS 108 HA CYS 108 -10.565 -3.446 4.196 783 HB2 CYS 108 1HB CYS 108 -13.030 -5.151 3.889 784 HB3 CYS 108 2HB CYS 108 -11.538 -5.180 2.949 785 H MET 109 H MET 109 -14.103 -2.769 4.276 786 HA MET 109 HA MET 109 -14.137 -1.971 1.544 787 HB2 MET 109 1HB MET 109 -16.113 -1.133 3.666 788 HB3 MET 109 2HB MET 109 -16.349 -1.051 1.950 789 HG2 MET 109 1HG MET 109 -15.704 -3.773 2.944 790 HG3 MET 109 2HG MET 109 -17.206 -3.089 3.553 791 HE1 MET 109 3HE MET 109 -15.138 -3.698 0.328 792 HE2 MET 109 1HE MET 109 -16.345 -3.483 -0.972 793 HE3 MET 109 2HE MET 109 -15.816 -2.089 -0.002 794 H LYS 110 H LYS 110 -13.727 0.010 4.554 795 HA LYS 110 HA LYS 110 -13.681 2.557 3.165 796 HB2 LYS 110 1HB LYS 110 -13.966 2.482 5.640 797 HB3 LYS 110 2HB LYS 110 -12.356 1.756 5.793 798 HG2 LYS 110 1HG LYS 110 -11.285 3.706 4.857 799 HG3 LYS 110 2HG LYS 110 -12.838 4.507 4.625 800 HD2 LYS 110 1HD LYS 110 -11.847 3.624 7.370 801 HD3 LYS 110 2HD LYS 110 -11.337 5.134 6.635 802 HE2 LYS 110 1HE LYS 110 -14.182 5.056 6.380 803 HE3 LYS 110 2HE LYS 110 -13.831 4.505 8.019 804 HZ1 LYS 110 3HZ LYS 110 -12.555 6.524 8.366 805 HZ2 LYS 110 1HZ LYS 110 -12.832 7.058 6.837 806 HZ3 LYS 110 2HZ LYS 110 -14.079 6.882 7.885 807 H THR 111 H THR 111 -11.135 0.251 4.260 808 HA THR 111 HA THR 111 -8.940 1.566 3.249 809 HB THR 111 HB THR 111 -9.430 -1.437 3.365 810 HG1 THR 111 1HG THR 111 -9.022 -1.205 5.453 811 HG21 THR 111 3HG2 THR 111 -7.364 -0.988 2.080 812 HG22 THR 111 1HG2 THR 111 -6.788 0.097 3.369 813 HG23 THR 111 2HG2 THR 111 -6.982 -1.635 3.683 814 H ILE 112 H ILE 112 -11.305 -0.283 1.332 815 HA ILE 112 HA ILE 112 -9.693 -0.301 -1.058 816 HB ILE 112 HB ILE 112 -12.628 -0.775 -0.441 817 HG12 ILE 112 1HG1 ILE 112 -10.395 -2.461 -1.671 818 HG13 ILE 112 2HG1 ILE 112 -10.885 -2.465 0.011 819 HG21 ILE 112 1HG2 ILE 112 -12.831 0.370 -2.550 820 HG22 ILE 112 2HG2 ILE 112 -11.414 -0.463 -3.196 821 HG23 ILE 112 3HG2 ILE 112 -12.938 -1.343 -2.919 822 HD11 ILE 112 3HD1 ILE 112 -13.176 -3.191 -0.711 823 HD12 ILE 112 1HD1 ILE 112 -12.503 -3.447 -2.344 824 HD13 ILE 112 2HD1 ILE 112 -11.839 -4.342 -0.966 825 H ASP 113 H ASP 113 -12.397 1.811 0.069 826 HA ASP 113 HA ASP 113 -12.414 3.506 -2.172 827 HB2 ASP 113 1HB ASP 113 -14.122 3.435 -0.231 828 HB3 ASP 113 2HB ASP 113 -13.000 4.449 0.656 829 H VAL 114 H VAL 114 -10.684 3.805 0.951 830 HA VAL 114 HA VAL 114 -9.331 6.187 0.376 831 HB VAL 114 HB VAL 114 -8.571 3.907 2.238 832 HG11 VAL 114 1HG1 VAL 114 -6.672 5.541 1.968 833 HG12 VAL 114 2HG1 VAL 114 -7.754 6.854 2.472 834 HG13 VAL 114 3HG1 VAL 114 -7.366 5.574 3.597 835 HG21 VAL 114 3HG2 VAL 114 -10.154 6.445 2.728 836 HG22 VAL 114 1HG2 VAL 114 -10.855 4.851 2.670 837 HG23 VAL 114 2HG2 VAL 114 -9.718 5.226 3.961 838 H ALA 115 H ALA 115 -8.377 2.793 -0.416 839 HA ALA 115 HA ALA 115 -5.739 3.501 -1.300 840 HB1 ALA 115 1HB ALA 115 -7.453 1.056 -1.936 841 HB2 ALA 115 2HB ALA 115 -5.720 1.236 -2.287 842 HB3 ALA 115 3HB ALA 115 -6.276 1.216 -0.610 843 H MET 116 H MET 116 -8.847 2.919 -3.079 844 HA MET 116 HA MET 116 -7.566 3.520 -5.627 845 HB2 MET 116 1HB MET 116 -9.781 3.574 -6.647 846 HB3 MET 116 2HB MET 116 -9.492 2.141 -5.681 847 HG2 MET 116 1HG MET 116 -10.912 2.948 -3.900 848 HG3 MET 116 2HG MET 116 -11.113 4.500 -4.643 849 HE1 MET 116 3HE MET 116 -11.577 0.655 -5.189 850 HE2 MET 116 1HE MET 116 -12.914 0.559 -6.355 851 HE3 MET 116 2HE MET 116 -11.311 1.084 -6.899 852 H CYS 117 H CYS 117 -9.365 5.450 -3.214 853 HA CYS 117 HA CYS 117 -9.355 7.903 -4.531 854 HB2 CYS 117 1HB CYS 117 -10.595 7.569 -2.524 855 HB3 CYS 117 2HB CYS 117 -9.150 7.200 -1.595 856 H PHE 118 H PHE 118 -6.667 6.303 -2.614 857 HA PHE 118 HA PHE 118 -4.853 8.411 -2.692 858 HD1 PHE 118 HD2 PHE 118 -1.993 7.462 -4.264 859 HD2 PHE 118 HD1 PHE 118 -2.969 6.721 -0.114 860 HE1 PHE 118 HE2 PHE 118 0.180 8.412 -3.533 861 HE2 PHE 118 HE1 PHE 118 -0.821 7.659 0.555 862 HZ PHE 118 HZ PHE 118 0.790 8.525 -1.159 863 HB2 PHE 118 1HB PHE 118 -4.482 5.990 -1.719 864 HB3 PHE 118 2HB PHE 118 -3.871 5.601 -3.302 865 H LYS 119 H LYS 119 -5.169 5.790 -5.121 866 HA LYS 119 HA LYS 119 -3.363 6.868 -6.967 867 HB2 LYS 119 1HB LYS 119 -4.495 4.519 -6.853 868 HB3 LYS 119 2HB LYS 119 -5.757 5.260 -7.846 869 HG2 LYS 119 1HG LYS 119 -4.391 4.736 -9.584 870 HG3 LYS 119 2HG LYS 119 -3.540 6.191 -9.159 871 HD2 LYS 119 1HD LYS 119 -1.844 4.518 -9.344 872 HD3 LYS 119 2HD LYS 119 -2.073 4.714 -7.611 873 HE2 LYS 119 1HE LYS 119 -1.954 2.344 -8.090 874 HE3 LYS 119 2HE LYS 119 -3.638 2.706 -7.680 875 HZ1 LYS 119 3HZ LYS 119 -3.591 1.337 -9.603 876 HZ2 LYS 119 1HZ LYS 119 -4.110 2.796 -10.065 877 HZ3 LYS 119 2HZ LYS 119 -2.536 2.311 -10.400 878 H LYS 120 H LYS 120 -6.815 7.422 -6.585 879 HA LYS 120 HA LYS 120 -7.055 9.135 -8.966 880 HB2 LYS 120 1HB LYS 120 -8.860 8.571 -6.529 881 HB3 LYS 120 2HB LYS 120 -9.403 9.415 -7.961 882 HG2 LYS 120 1HG LYS 120 -8.459 6.516 -8.122 883 HG3 LYS 120 2HG LYS 120 -10.096 6.955 -7.606 884 HD2 LYS 120 1HD LYS 120 -9.580 8.457 -9.952 885 HD3 LYS 120 2HD LYS 120 -8.937 6.848 -10.274 886 HE2 LYS 120 1HE LYS 120 -11.675 7.349 -9.137 887 HE3 LYS 120 2HE LYS 120 -11.363 7.312 -10.884 888 HZ1 LYS 120 3HZ LYS 120 -10.575 5.058 -10.665 889 HZ2 LYS 120 1HZ LYS 120 -10.858 5.075 -9.031 890 HZ3 LYS 120 2HZ LYS 120 -12.120 5.154 -10.065 891 H GLU 121 H GLU 121 -5.928 9.762 -5.785 892 HA GLU 121 HA GLU 121 -6.204 12.627 -6.377 893 HB2 GLU 121 1HB GLU 121 -5.552 11.002 -3.929 894 HB3 GLU 121 2HB GLU 121 -5.249 12.715 -3.997 895 HG2 GLU 121 1HG GLU 121 -7.974 11.364 -4.439 896 HG3 GLU 121 2HG GLU 121 -7.449 12.130 -2.952 897 H ILE 122 H ILE 122 -4.054 10.203 -7.049 898 HA ILE 122 HA ILE 122 -1.624 11.442 -6.572 899 HB ILE 122 HB ILE 122 -2.608 9.655 -8.818 900 HG12 ILE 122 1HG1 ILE 122 -2.568 8.759 -6.566 901 HG13 ILE 122 2HG1 ILE 122 -1.503 7.865 -7.659 902 HG21 ILE 122 1HG2 ILE 122 0.225 10.514 -8.519 903 HG22 ILE 122 2HG2 ILE 122 -0.327 9.056 -9.403 904 HG23 ILE 122 3HG2 ILE 122 -0.906 10.659 -9.907 905 HD11 ILE 122 3HD1 ILE 122 0.356 9.363 -6.547 906 HD12 ILE 122 1HD1 ILE 122 -0.886 9.622 -5.296 907 HD13 ILE 122 2HD1 ILE 122 -0.331 7.981 -5.673 908 H HIS 123 H HIS 123 -3.879 12.080 -9.262 909 HA HIS 123 HA HIS 123 -2.277 13.509 -10.980 910 HD1 HIS 123 HD1 HIS 123 -6.202 16.165 -10.522 911 HD2 HIS 123 HD2 HIS 123 -5.667 12.300 -8.877 912 HE1 HIS 123 HE1 HIS 123 -7.892 15.967 -8.611 913 HE2 HIS 123 HE2 HIS 123 -7.591 13.641 -7.574 914 HB2 HIS 123 1HB HIS 123 -4.317 14.629 -11.654 915 HB3 HIS 123 2HB HIS 123 -4.630 12.928 -11.343 916 H LYS 124 H LYS 124 -3.210 14.559 -7.696 917 HA LYS 124 HA LYS 124 -2.981 17.392 -8.097 918 HB2 LYS 124 1HB LYS 124 -2.428 15.649 -5.641 919 HB3 LYS 124 2HB LYS 124 -2.751 17.386 -5.640 920 HG2 LYS 124 1HG LYS 124 -5.008 16.986 -6.526 921 HG3 LYS 124 2HG LYS 124 -4.679 15.244 -6.649 922 HD2 LYS 124 1HD LYS 124 -4.734 14.875 -4.402 923 HD3 LYS 124 2HD LYS 124 -4.247 16.501 -3.957 924 HE2 LYS 124 1HE LYS 124 -6.952 16.019 -5.265 925 HE3 LYS 124 2HE LYS 124 -6.714 15.756 -3.536 926 HZ1 LYS 124 3HZ LYS 124 -6.029 18.349 -4.774 927 HZ2 LYS 124 1HZ LYS 124 -7.502 18.011 -4.133 928 HZ3 LYS 124 2HZ LYS 124 -6.149 17.950 -3.192 929 H LEU 125 H LEU 125 -0.785 14.784 -7.436 930 HA LEU 125 HA LEU 125 1.435 16.346 -6.476 931 HG LEU 125 HG LEU 125 -0.190 13.961 -5.495 932 HB2 LEU 125 1HB LEU 125 1.282 13.543 -7.639 933 HB3 LEU 125 2HB LEU 125 2.585 14.165 -6.695 934 HD11 LEU 125 1HD1 LEU 125 0.619 11.782 -4.652 935 HD12 LEU 125 2HD1 LEU 125 0.411 11.871 -6.406 936 HD13 LEU 125 3HD1 LEU 125 2.062 11.965 -5.713 937 HD21 LEU 125 3HD2 LEU 125 1.135 13.860 -3.374 938 HD22 LEU 125 1HD2 LEU 125 2.617 14.086 -4.304 939 HD23 LEU 125 2HD2 LEU 125 1.371 15.371 -4.255 940 H ASN 126 H ASN 126 0.419 14.958 -9.499 941 HA ASN 126 HA ASN 126 0.971 15.111 -11.623 942 HB2 ASN 126 1HB ASN 126 3.105 17.152 -11.397 943 HB3 ASN 126 2HB ASN 126 1.818 17.010 -12.578 944 HD21 ASN 126 2HD2 ASN 126 -0.589 17.237 -10.948 945 HD22 ASN 126 1HD2 ASN 126 -0.394 18.653 -9.952 946 H TRP 127 H TRP 127 3.395 14.613 -9.348 947 HA TRP 127 HA TRP 127 5.139 13.122 -11.191 948 HD1 TRP 127 HD1 TRP 127 4.700 15.377 -7.413 949 HE1 TRP 127 HE1 TRP 127 4.655 14.847 -4.965 950 HE3 TRP 127 HE3 TRP 127 6.801 10.721 -7.576 951 HZ2 TRP 127 HZ2 TRP 127 4.890 12.467 -3.290 952 HZ3 TRP 127 HZ3 TRP 127 7.063 9.436 -5.482 953 HH2 TRP 127 HH2 TRP 127 6.017 10.211 -3.386 954 HB2 TRP 127 1HB TRP 127 6.439 12.490 -9.294 955 HB3 TRP 127 2HB TRP 127 6.267 14.227 -9.404 956 H VAL 128 H VAL 128 5.589 10.799 -10.062 957 HA VAL 128 HA VAL 128 3.017 9.354 -9.734 958 HB VAL 128 HB VAL 128 5.240 8.485 -11.647 959 HG11 VAL 128 1HG1 VAL 128 2.453 7.329 -11.141 960 HG12 VAL 128 2HG1 VAL 128 3.659 6.721 -12.295 961 HG13 VAL 128 3HG1 VAL 128 3.983 6.623 -10.566 962 HG21 VAL 128 3HG2 VAL 128 2.487 9.600 -12.302 963 HG22 VAL 128 1HG2 VAL 128 4.052 10.358 -12.689 964 HG23 VAL 128 2HG2 VAL 128 3.595 8.847 -13.467 965 HA PRO 129 HA PRO 129 5.978 8.012 -6.598 966 HB2 PRO 129 1HB PRO 129 3.724 6.647 -5.291 967 HB3 PRO 129 2HB PRO 129 4.743 7.970 -4.667 968 HG2 PRO 129 1HG PRO 129 2.082 8.260 -5.449 969 HG3 PRO 129 2HG PRO 129 3.279 9.590 -5.383 970 HD2 PRO 129 1HD PRO 129 2.256 8.031 -7.734 971 HD3 PRO 129 2HD PRO 129 2.754 9.751 -7.619 972 H ASN 130 H ASN 130 6.913 6.055 -6.172 973 HA ASN 130 HA ASN 130 6.801 3.876 -7.956 974 HB2 ASN 130 1HB ASN 130 7.627 4.013 -5.030 975 HB3 ASN 130 2HB ASN 130 7.962 2.629 -6.068 976 HD21 ASN 130 2HD2 ASN 130 9.693 4.825 -4.705 977 HD22 ASN 130 1HD2 ASN 130 10.768 5.346 -6.013 978 H MET 131 H MET 131 6.041 1.642 -7.530 979 HA MET 131 HA MET 131 3.500 1.215 -6.418 980 HB2 MET 131 1HB MET 131 5.896 -0.683 -6.511 981 HB3 MET 131 2HB MET 131 4.264 -1.142 -6.035 982 HG2 MET 131 1HG MET 131 3.478 -0.336 -8.324 983 HG3 MET 131 2HG MET 131 5.182 -0.178 -8.756 984 HE1 MET 131 3HE MET 131 2.260 -2.355 -7.824 985 HE2 MET 131 1HE MET 131 2.794 -4.046 -7.983 986 HE3 MET 131 2HE MET 131 3.291 -3.078 -6.578 987 H ASP 132 H ASP 132 6.707 0.822 -4.830 988 HA ASP 132 HA ASP 132 5.728 -0.130 -2.390 989 HB2 ASP 132 1HB ASP 132 8.144 1.546 -2.128 990 HB3 ASP 132 2HB ASP 132 7.830 -0.072 -1.590 991 H LEU 133 H LEU 133 6.749 3.337 -3.130 992 HA LEU 133 HA LEU 133 5.778 4.595 -0.984 993 HG LEU 133 HG LEU 133 6.297 7.415 -2.138 994 HB2 LEU 133 1HB LEU 133 6.028 5.130 -3.910 995 HB3 LEU 133 2HB LEU 133 4.847 6.133 -3.147 996 HD11 LEU 133 1HD1 LEU 133 8.203 5.162 -1.652 997 HD12 LEU 133 2HD1 LEU 133 8.569 6.857 -1.293 998 HD13 LEU 133 3HD1 LEU 133 7.224 6.075 -0.466 999 HD21 LEU 133 3HD2 LEU 133 8.285 6.235 -4.072 1000 HD22 LEU 133 1HD2 LEU 133 6.989 7.367 -4.516 1001 HD23 LEU 133 2HD2 LEU 133 8.278 7.882 -3.424 1002 H VAL 134 H VAL 134 3.615 3.773 -3.820 1003 HA VAL 134 HA VAL 134 1.309 4.915 -2.620 1004 HB VAL 134 HB VAL 134 1.490 2.666 -4.677 1005 HG11 VAL 134 1HG1 VAL 134 -0.828 4.518 -3.961 1006 HG12 VAL 134 2HG1 VAL 134 -0.802 3.392 -5.345 1007 HG13 VAL 134 3HG1 VAL 134 -0.755 2.776 -3.689 1008 HG21 VAL 134 3HG2 VAL 134 1.104 4.378 -6.374 1009 HG22 VAL 134 1HG2 VAL 134 1.086 5.657 -5.130 1010 HG23 VAL 134 2HG2 VAL 134 2.566 4.755 -5.488 1011 H ILE 135 H ILE 135 2.556 1.558 -2.450 1012 HA ILE 135 HA ILE 135 0.196 0.562 -1.086 1013 HB ILE 135 HB ILE 135 2.984 -0.640 -1.327 1014 HG12 ILE 135 1HG1 ILE 135 0.666 -1.468 -2.985 1015 HG13 ILE 135 2HG1 ILE 135 1.629 -0.144 -3.557 1016 HG21 ILE 135 1HG2 ILE 135 1.720 -1.793 0.411 1017 HG22 ILE 135 2HG2 ILE 135 0.236 -1.779 -0.561 1018 HG23 ILE 135 3HG2 ILE 135 1.582 -2.828 -1.013 1019 HD11 ILE 135 3HD1 ILE 135 2.389 -2.148 -4.621 1020 HD12 ILE 135 1HD1 ILE 135 3.650 -1.664 -3.465 1021 HD13 ILE 135 2HD1 ILE 135 2.543 -3.009 -3.085 1022 H GLY 136 H GLY 136 3.571 1.014 -0.119 1023 HA2 GLY 136 1HA GLY 136 3.645 0.615 2.556 1024 HA3 GLY 136 2HA GLY 136 4.568 1.878 1.732 1025 H GLU 137 H GLU 137 2.294 3.652 1.014 1026 HA GLU 137 HA GLU 137 2.128 5.000 3.485 1027 HB2 GLU 137 1HB GLU 137 1.581 5.639 0.807 1028 HB3 GLU 137 2HB GLU 137 -0.012 5.678 1.555 1029 HG2 GLU 137 1HG GLU 137 1.003 7.859 1.713 1030 HG3 GLU 137 2HG GLU 137 0.830 7.212 3.306 1031 H VAL 138 H VAL 138 -0.365 2.946 1.798 1032 HA VAL 138 HA VAL 138 -2.343 3.203 3.726 1033 HB VAL 138 HB VAL 138 -1.775 0.533 2.365 1034 HG11 VAL 138 1HG1 VAL 138 -3.643 0.532 3.755 1035 HG12 VAL 138 2HG1 VAL 138 -4.140 2.165 3.262 1036 HG13 VAL 138 3HG1 VAL 138 -4.346 0.840 2.143 1037 HG21 VAL 138 3HG2 VAL 138 -1.421 2.056 0.504 1038 HG22 VAL 138 1HG2 VAL 138 -2.870 1.073 0.360 1039 HG23 VAL 138 2HG2 VAL 138 -3.018 2.796 0.818 1040 H LEU 139 H LEU 139 0.264 0.787 3.445 1041 HA LEU 139 HA LEU 139 -0.333 -0.753 5.662 1042 HG LEU 139 HG LEU 139 1.076 -2.710 4.737 1043 HB2 LEU 139 1HB LEU 139 2.156 -0.031 4.058 1044 HB3 LEU 139 2HB LEU 139 2.363 -1.011 5.494 1045 HD11 LEU 139 1HD1 LEU 139 -0.838 -1.780 3.629 1046 HD12 LEU 139 2HD1 LEU 139 0.168 -1.150 2.313 1047 HD13 LEU 139 3HD1 LEU 139 -0.055 -2.886 2.501 1048 HD21 LEU 139 3HD2 LEU 139 3.358 -2.613 3.819 1049 HD22 LEU 139 1HD2 LEU 139 2.310 -3.374 2.610 1050 HD23 LEU 139 2HD2 LEU 139 2.787 -1.679 2.432 1051 H ALA 140 H ALA 140 1.565 2.146 5.501 1052 HA ALA 140 HA ALA 140 2.343 2.170 8.320 1053 HB1 ALA 140 1HB ALA 140 3.619 3.488 6.777 1054 HB2 ALA 140 2HB ALA 140 2.174 4.371 6.212 1055 HB3 ALA 140 3HB ALA 140 2.778 4.618 7.856 1056 H GLU 141 H GLU 141 -0.302 3.816 6.491 1057 HA GLU 141 HA GLU 141 -1.230 5.260 8.747 1058 HB2 GLU 141 1HB GLU 141 -1.657 6.017 6.486 1059 HB3 GLU 141 2HB GLU 141 -2.499 4.532 6.077 1060 HG2 GLU 141 1HG GLU 141 -3.991 6.571 6.388 1061 HG3 GLU 141 2HG GLU 141 -4.418 5.105 7.286 1062 H VAL 142 H VAL 142 -2.434 2.334 7.209 1063 HA VAL 142 HA VAL 142 -4.686 1.837 8.898 1064 HB VAL 142 HB VAL 142 -3.140 0.193 6.827 1065 HG11 VAL 142 1HG1 VAL 142 -5.157 -1.209 6.647 1066 HG12 VAL 142 2HG1 VAL 142 -4.311 -1.423 8.186 1067 HG13 VAL 142 3HG1 VAL 142 -5.815 -0.463 8.118 1068 HG21 VAL 142 3HG2 VAL 142 -5.772 1.745 6.737 1069 HG22 VAL 142 1HG2 VAL 142 -4.254 2.165 5.895 1070 HG23 VAL 142 2HG2 VAL 142 -5.158 0.719 5.431 Start of MODEL 7 1 HA SER 1 HA SER 1 23.410 -9.838 -12.142 2 HG SER 1 HG SER 1 22.257 -10.494 -15.498 3 H1 SER 1 H SER 1 22.150 -11.520 -10.929 4 HB2 SER 1 1HB SER 1 21.096 -9.187 -13.866 5 HB3 SER 1 2HB SER 1 22.812 -8.974 -14.135 6 HA PRO 2 HA PRO 2 21.224 -6.845 -9.739 7 HB2 PRO 2 1HB PRO 2 22.561 -4.554 -10.308 8 HB3 PRO 2 2HB PRO 2 23.367 -5.950 -9.533 9 HG2 PRO 2 1HG PRO 2 23.449 -5.091 -12.424 10 HG3 PRO 2 2HG PRO 2 24.784 -5.708 -11.412 11 HD2 PRO 2 1HD PRO 2 23.238 -7.231 -13.194 12 HD3 PRO 2 2HD PRO 2 24.172 -7.933 -11.872 13 H GLU 3 H GLU 3 19.149 -7.119 -10.753 14 HA GLU 3 HA GLU 3 18.293 -4.776 -12.388 15 HB2 GLU 3 1HB GLU 3 18.826 -6.677 -13.859 16 HB3 GLU 3 2HB GLU 3 17.702 -7.701 -12.961 17 HG2 GLU 3 1HG GLU 3 15.802 -6.290 -13.625 18 HG3 GLU 3 2HG GLU 3 16.893 -5.152 -14.427 19 H ILE 4 H ILE 4 17.148 -7.755 -10.700 20 HA ILE 4 HA ILE 4 15.276 -6.161 -9.073 21 HB ILE 4 HB ILE 4 13.613 -8.023 -9.320 22 HG12 ILE 4 1HG1 ILE 4 15.008 -8.560 -11.995 23 HG13 ILE 4 2HG1 ILE 4 15.171 -9.620 -10.582 24 HG21 ILE 4 1HG2 ILE 4 13.536 -5.704 -10.228 25 HG22 ILE 4 2HG2 ILE 4 14.098 -6.314 -11.795 26 HG23 ILE 4 3HG2 ILE 4 12.534 -6.841 -11.130 27 HD11 ILE 4 3HD1 ILE 4 12.816 -10.018 -10.496 28 HD12 ILE 4 1HD1 ILE 4 12.507 -8.904 -11.846 29 HD13 ILE 4 2HD1 ILE 4 13.413 -10.389 -12.137 30 H MET 5 H MET 5 17.371 -6.374 -8.014 31 HA MET 5 HA MET 5 18.031 -8.847 -6.670 32 HB2 MET 5 1HB MET 5 18.697 -5.966 -5.915 33 HB3 MET 5 2HB MET 5 19.473 -7.412 -5.287 34 HG2 MET 5 1HG MET 5 20.482 -7.891 -7.403 35 HG3 MET 5 2HG MET 5 19.528 -6.672 -8.227 36 HE1 MET 5 3HE MET 5 20.991 -5.633 -4.680 37 HE2 MET 5 1HE MET 5 22.060 -6.980 -5.141 38 HE3 MET 5 2HE MET 5 22.686 -5.314 -5.093 39 H LYS 6 H LYS 6 18.117 -8.432 -4.100 40 HA LYS 6 HA LYS 6 15.360 -8.630 -3.234 41 HB2 LYS 6 1HB LYS 6 18.000 -8.677 -1.715 42 HB3 LYS 6 2HB LYS 6 16.423 -9.103 -1.031 43 HG2 LYS 6 1HG LYS 6 16.136 -10.905 -2.648 44 HG3 LYS 6 2HG LYS 6 17.714 -10.576 -3.364 45 HD2 LYS 6 1HD LYS 6 17.255 -11.347 -0.464 46 HD3 LYS 6 2HD LYS 6 17.730 -12.469 -1.756 47 HE2 LYS 6 1HE LYS 6 19.749 -11.022 -2.193 48 HE3 LYS 6 2HE LYS 6 19.314 -10.046 -0.775 49 HZ1 LYS 6 3HZ LYS 6 19.896 -12.938 -0.710 50 HZ2 LYS 6 1HZ LYS 6 20.948 -11.747 -0.312 51 HZ3 LYS 6 2HZ LYS 6 19.600 -11.950 0.602 52 H ASN 7 H ASN 7 14.716 -6.499 -3.933 53 HA ASN 7 HA ASN 7 15.357 -4.310 -2.033 54 HB2 ASN 7 1HB ASN 7 14.614 -3.830 -4.902 55 HB3 ASN 7 2HB ASN 7 15.055 -2.657 -3.656 56 HD21 ASN 7 2HD2 ASN 7 16.026 -4.276 -6.168 57 HD22 ASN 7 1HD2 ASN 7 17.764 -4.246 -6.129 58 H LEU 8 H LEU 8 13.611 -5.052 -0.793 59 HA LEU 8 HA LEU 8 11.706 -5.772 -0.071 60 HG LEU 8 HG LEU 8 9.844 -4.940 0.854 61 HB2 LEU 8 1HB LEU 8 11.651 -3.125 -0.774 62 HB3 LEU 8 2HB LEU 8 10.233 -3.759 -1.556 63 HD11 LEU 8 1HD1 LEU 8 10.799 -3.465 2.640 64 HD12 LEU 8 2HD1 LEU 8 12.075 -4.235 1.691 65 HD13 LEU 8 3HD1 LEU 8 11.650 -2.545 1.400 66 HD21 LEU 8 3HD2 LEU 8 8.392 -3.300 -0.189 67 HD22 LEU 8 1HD2 LEU 8 8.507 -3.081 1.564 68 HD23 LEU 8 2HD2 LEU 8 9.400 -1.994 0.438 69 H SER 9 H SER 9 11.796 -6.125 -3.312 70 HA SER 9 HA SER 9 9.156 -6.509 -3.991 71 HG SER 9 HG SER 9 9.267 -6.959 -6.655 72 HB2 SER 9 1HB SER 9 10.909 -6.051 -5.577 73 HB3 SER 9 2HB SER 9 11.663 -7.627 -5.290 74 H ASN 10 H ASN 10 11.476 -9.148 -3.219 75 HA ASN 10 HA ASN 10 9.482 -11.220 -3.325 76 HB2 ASN 10 1HB ASN 10 11.751 -11.654 -1.444 77 HB3 ASN 10 2HB ASN 10 11.066 -12.706 -2.652 78 HD21 ASN 10 2HD2 ASN 10 13.370 -10.008 -2.063 79 HD22 ASN 10 1HD2 ASN 10 14.281 -10.330 -3.512 80 H ASN 11 H ASN 11 10.674 -9.079 -0.763 81 HA ASN 11 HA ASN 11 9.585 -10.453 1.495 82 HB2 ASN 11 1HB ASN 11 10.100 -7.459 1.202 83 HB3 ASN 11 2HB ASN 11 9.854 -8.348 2.698 84 HD21 ASN 11 2HD2 ASN 11 12.397 -6.898 1.132 85 HD22 ASN 11 1HD2 ASN 11 13.613 -8.076 1.541 86 H PHE 12 H PHE 12 8.334 -7.762 -0.499 87 HA PHE 12 HA PHE 12 5.887 -7.383 0.631 88 HD1 PHE 12 HD1 PHE 12 3.814 -6.421 -0.272 89 HD2 PHE 12 HD2 PHE 12 7.305 -4.464 -1.833 90 HE1 PHE 12 HE1 PHE 12 2.938 -4.214 0.526 91 HE2 PHE 12 HE2 PHE 12 6.442 -2.267 -1.060 92 HZ PHE 12 HZ PHE 12 4.306 -2.130 0.159 93 HB2 PHE 12 1HB PHE 12 7.172 -6.788 -1.902 94 HB3 PHE 12 2HB PHE 12 5.555 -7.334 -2.252 95 H GLY 13 H GLY 13 6.624 -9.657 -2.050 96 HA2 GLY 13 1HA GLY 13 4.015 -10.752 -2.246 97 HA3 GLY 13 2HA GLY 13 5.505 -11.489 -2.877 98 H LYS 14 H LYS 14 6.652 -11.492 -0.004 99 HA LYS 14 HA LYS 14 5.745 -14.170 0.647 100 HB2 LYS 14 1HB LYS 14 8.029 -13.916 1.021 101 HB3 LYS 14 2HB LYS 14 7.896 -12.214 1.446 102 HG2 LYS 14 1HG LYS 14 6.981 -12.769 3.597 103 HG3 LYS 14 2HG LYS 14 7.151 -14.511 3.242 104 HD2 LYS 14 1HD LYS 14 9.587 -14.224 3.065 105 HD3 LYS 14 2HD LYS 14 9.433 -12.482 3.427 106 HE2 LYS 14 1HE LYS 14 8.629 -12.859 5.612 107 HE3 LYS 14 2HE LYS 14 8.265 -14.565 5.293 108 HZ1 LYS 14 3HZ LYS 14 10.168 -14.180 6.681 109 HZ2 LYS 14 1HZ LYS 14 10.540 -15.070 5.340 110 HZ3 LYS 14 2HZ LYS 14 11.007 -13.489 5.429 111 H ALA 15 H ALA 15 5.536 -10.909 2.213 112 HA ALA 15 HA ALA 15 3.778 -11.820 4.282 113 HB1 ALA 15 1HB ALA 15 4.090 -9.035 3.033 114 HB2 ALA 15 2HB ALA 15 3.304 -9.386 4.591 115 HB3 ALA 15 3HB ALA 15 5.033 -9.667 4.377 116 H MET 16 H MET 16 3.060 -10.613 0.948 117 HA MET 16 HA MET 16 0.282 -10.553 1.121 118 HB2 MET 16 1HB MET 16 1.829 -9.797 -0.789 119 HB3 MET 16 2HB MET 16 1.857 -11.476 -1.332 120 HG2 MET 16 1HG MET 16 -0.613 -9.805 -0.918 121 HG3 MET 16 2HG MET 16 0.185 -9.966 -2.473 122 HE1 MET 16 3HE MET 16 -3.485 -12.008 -1.784 123 HE2 MET 16 1HE MET 16 -2.810 -10.472 -1.219 124 HE3 MET 16 2HE MET 16 -2.894 -10.763 -2.961 125 H ASP 17 H ASP 17 2.481 -13.275 0.327 126 HA ASP 17 HA ASP 17 0.480 -15.252 -0.112 127 HB2 ASP 17 1HB ASP 17 2.861 -15.385 -0.900 128 HB3 ASP 17 2HB ASP 17 3.395 -15.484 0.762 129 H GLN 18 H GLN 18 2.261 -14.328 2.866 130 HA GLN 18 HA GLN 18 1.056 -16.339 4.507 131 HB2 GLN 18 1HB GLN 18 2.284 -13.649 5.064 132 HB3 GLN 18 2HB GLN 18 1.426 -14.529 6.341 133 HG2 GLN 18 1HG GLN 18 2.890 -16.255 6.420 134 HG3 GLN 18 2HG GLN 18 3.324 -16.165 4.716 135 HE21 GLN 18 2HE2 GLN 18 5.336 -15.466 4.310 136 HE22 GLN 18 1HE2 GLN 18 6.204 -14.362 5.378 137 H CYS 19 H CYS 19 -0.139 -13.091 3.451 138 HA CYS 19 HA CYS 19 -2.526 -13.276 5.088 139 HB2 CYS 19 1HB CYS 19 -1.757 -11.526 2.749 140 HB3 CYS 19 2HB CYS 19 -3.208 -11.313 3.729 141 H LYS 20 H LYS 20 -1.650 -14.178 1.732 142 HA LYS 20 HA LYS 20 -4.257 -14.919 0.824 143 HB2 LYS 20 1HB LYS 20 -2.257 -14.542 -0.621 144 HB3 LYS 20 2HB LYS 20 -1.523 -15.995 0.034 145 HG2 LYS 20 1HG LYS 20 -3.398 -17.345 -0.895 146 HG3 LYS 20 2HG LYS 20 -4.049 -15.867 -1.589 147 HD2 LYS 20 1HD LYS 20 -2.846 -16.964 -3.333 148 HD3 LYS 20 2HD LYS 20 -1.762 -15.663 -2.807 149 HE2 LYS 20 1HE LYS 20 -0.254 -17.100 -1.863 150 HE3 LYS 20 2HE LYS 20 -1.483 -18.258 -1.353 151 HZ1 LYS 20 3HZ LYS 20 -0.829 -17.997 -4.221 152 HZ2 LYS 20 1HZ LYS 20 0.091 -18.924 -3.209 153 HZ3 LYS 20 2HZ LYS 20 -1.483 -19.263 -3.421 154 H ASP 21 H ASP 21 -2.242 -16.339 3.201 155 HA ASP 21 HA ASP 21 -3.536 -18.979 3.037 156 HB2 ASP 21 1HB ASP 21 -1.083 -18.914 3.028 157 HB3 ASP 21 2HB ASP 21 -1.071 -17.990 4.536 158 H GLU 22 H GLU 22 -2.580 -16.633 5.589 159 HA GLU 22 HA GLU 22 -4.328 -17.657 7.584 160 HB2 GLU 22 1HB GLU 22 -3.124 -14.881 7.145 161 HB3 GLU 22 2HB GLU 22 -4.069 -15.313 8.571 162 HG2 GLU 22 1HG GLU 22 -2.499 -17.263 8.883 163 HG3 GLU 22 2HG GLU 22 -1.424 -16.521 7.692 164 H LEU 23 H LEU 23 -4.817 -15.365 4.936 165 HA LEU 23 HA LEU 23 -7.659 -14.988 5.863 166 HG LEU 23 HG LEU 23 -5.212 -12.791 5.560 167 HB2 LEU 23 1HB LEU 23 -6.434 -13.675 3.467 168 HB3 LEU 23 2HB LEU 23 -7.911 -13.319 4.282 169 HD11 LEU 23 1HD1 LEU 23 -5.530 -11.489 3.477 170 HD12 LEU 23 2HD1 LEU 23 -7.099 -10.908 4.073 171 HD13 LEU 23 3HD1 LEU 23 -5.608 -10.448 4.906 172 HD21 LEU 23 3HD2 LEU 23 -8.011 -11.758 6.243 173 HD22 LEU 23 1HD2 LEU 23 -7.145 -13.012 7.133 174 HD23 LEU 23 2HD2 LEU 23 -6.497 -11.369 7.096 175 H SER 24 H SER 24 -5.791 -16.907 3.554 176 HA SER 24 HA SER 24 -6.510 -18.286 1.854 177 HG SER 24 HG SER 24 -8.038 -20.176 1.621 178 HB2 SER 24 1HB SER 24 -7.781 -19.220 3.710 179 HB3 SER 24 2HB SER 24 -9.152 -18.182 3.327 180 H LEU 25 H LEU 25 -6.114 -15.762 0.931 181 HA LEU 25 HA LEU 25 -8.521 -14.675 -0.267 182 HG LEU 25 HG LEU 25 -5.860 -12.944 1.351 183 HB2 LEU 25 1HB LEU 25 -5.585 -13.856 -0.741 184 HB3 LEU 25 2HB LEU 25 -6.985 -13.033 -1.358 185 HD11 LEU 25 1HD1 LEU 25 -6.655 -10.688 1.122 186 HD12 LEU 25 2HD1 LEU 25 -5.866 -11.185 -0.415 187 HD13 LEU 25 3HD1 LEU 25 -7.623 -11.081 -0.303 188 HD21 LEU 25 3HD2 LEU 25 -8.177 -13.857 1.940 189 HD22 LEU 25 1HD2 LEU 25 -8.132 -12.124 2.262 190 HD23 LEU 25 2HD2 LEU 25 -8.904 -12.741 0.799 191 HA PRO 26 HA PRO 26 -8.414 -17.409 -3.718 192 HB2 PRO 26 1HB PRO 26 -10.018 -16.038 -5.547 193 HB3 PRO 26 2HB PRO 26 -10.607 -17.012 -4.191 194 HG2 PRO 26 1HG PRO 26 -10.279 -14.051 -4.375 195 HG3 PRO 26 2HG PRO 26 -11.596 -14.967 -3.587 196 HD2 PRO 26 1HD PRO 26 -9.518 -13.817 -2.187 197 HD3 PRO 26 2HD PRO 26 -10.319 -15.323 -1.658 198 H ASP 27 H ASP 27 -7.646 -17.627 -5.908 199 HA ASP 27 HA ASP 27 -5.305 -16.254 -6.428 200 HB2 ASP 27 1HB ASP 27 -6.628 -18.501 -7.453 201 HB3 ASP 27 2HB ASP 27 -6.584 -17.422 -8.831 202 H SER 28 H SER 28 -8.560 -15.400 -7.416 203 HA SER 28 HA SER 28 -7.878 -13.593 -9.566 204 HG SER 28 HG SER 28 -10.315 -14.700 -10.511 205 HB2 SER 28 1HB SER 28 -10.385 -13.802 -7.898 206 HB3 SER 28 2HB SER 28 -10.213 -12.930 -9.424 207 H VAL 29 H VAL 29 -8.631 -13.369 -6.031 208 HA VAL 29 HA VAL 29 -8.478 -10.471 -6.037 209 HB VAL 29 HB VAL 29 -8.612 -12.609 -3.884 210 HG11 VAL 29 1HG1 VAL 29 -8.882 -10.768 -2.234 211 HG12 VAL 29 2HG1 VAL 29 -7.244 -10.868 -2.883 212 HG13 VAL 29 3HG1 VAL 29 -8.349 -9.616 -3.477 213 HG21 VAL 29 3HG2 VAL 29 -10.490 -10.305 -4.621 214 HG22 VAL 29 1HG2 VAL 29 -10.686 -11.951 -5.225 215 HG23 VAL 29 2HG2 VAL 29 -10.824 -11.637 -3.492 216 H VAL 30 H VAL 30 -6.208 -13.181 -5.428 217 HA VAL 30 HA VAL 30 -4.039 -11.551 -4.536 218 HB VAL 30 HB VAL 30 -4.226 -14.302 -5.824 219 HG11 VAL 30 1HG1 VAL 30 -1.910 -14.706 -4.924 220 HG12 VAL 30 2HG1 VAL 30 -1.998 -13.608 -6.292 221 HG13 VAL 30 3HG1 VAL 30 -1.764 -12.951 -4.653 222 HG21 VAL 30 3HG2 VAL 30 -4.311 -15.210 -3.743 223 HG22 VAL 30 1HG2 VAL 30 -3.424 -13.897 -2.946 224 HG23 VAL 30 2HG2 VAL 30 -5.140 -13.712 -3.373 225 H ALA 31 H ALA 31 -4.911 -12.791 -7.844 226 HA ALA 31 HA ALA 31 -2.703 -11.534 -9.137 227 HB1 ALA 31 1HB ALA 31 -4.003 -11.895 -11.184 228 HB2 ALA 31 2HB ALA 31 -4.031 -13.349 -10.162 229 HB3 ALA 31 3HB ALA 31 -5.452 -12.276 -10.231 230 H ASP 32 H ASP 32 -6.116 -10.537 -8.617 231 HA ASP 32 HA ASP 32 -6.028 -8.007 -9.861 232 HB2 ASP 32 1HB ASP 32 -7.556 -8.986 -7.414 233 HB3 ASP 32 2HB ASP 32 -7.688 -7.337 -7.936 234 H LEU 33 H LEU 33 -4.986 -8.929 -6.572 235 HA LEU 33 HA LEU 33 -4.546 -6.358 -5.598 236 HG LEU 33 HG LEU 33 -4.393 -6.388 -3.583 237 HB2 LEU 33 1HB LEU 33 -3.975 -9.051 -4.717 238 HB3 LEU 33 2HB LEU 33 -2.458 -8.218 -4.651 239 HD11 LEU 33 1HD1 LEU 33 -5.876 -8.292 -3.423 240 HD12 LEU 33 2HD1 LEU 33 -4.708 -9.123 -2.374 241 HD13 LEU 33 3HD1 LEU 33 -5.429 -7.565 -1.863 242 HD21 LEU 33 3HD2 LEU 33 -3.160 -6.627 -1.529 243 HD22 LEU 33 1HD2 LEU 33 -2.347 -8.089 -2.163 244 HD23 LEU 33 2HD2 LEU 33 -2.075 -6.493 -2.929 245 H TYR 34 H TYR 34 -2.409 -8.416 -7.505 246 HA TYR 34 HA TYR 34 -0.236 -6.446 -7.454 247 HD1 TYR 34 HD1 TYR 34 -0.722 -9.745 -6.478 248 HD2 TYR 34 HD2 TYR 34 2.617 -7.898 -8.469 249 HE1 TYR 34 HE1 TYR 34 0.769 -10.614 -4.727 250 HE2 TYR 34 HE2 TYR 34 4.153 -8.819 -6.765 251 HH TYR 34 HH TYR 34 4.281 -9.911 -4.698 252 HB2 TYR 34 1HB TYR 34 -0.747 -8.975 -8.995 253 HB3 TYR 34 2HB TYR 34 0.517 -7.848 -9.495 254 H ASN 35 H ASN 35 -2.976 -7.192 -9.612 255 HA ASN 35 HA ASN 35 -2.295 -5.406 -11.716 256 HB2 ASN 35 1HB ASN 35 -5.088 -6.132 -10.812 257 HB3 ASN 35 2HB ASN 35 -4.651 -5.398 -12.335 258 HD21 ASN 35 2HD2 ASN 35 -2.170 -7.512 -12.070 259 HD22 ASN 35 1HD2 ASN 35 -2.894 -8.895 -12.831 260 H PHE 36 H PHE 36 -3.759 -4.790 -8.541 261 HA PHE 36 HA PHE 36 -4.920 -2.309 -8.997 262 HD1 PHE 36 HD2 PHE 36 -6.942 -1.954 -7.486 263 HD2 PHE 36 HD1 PHE 36 -3.425 -1.263 -5.127 264 HE1 PHE 36 HE2 PHE 36 -7.979 0.077 -6.477 265 HE2 PHE 36 HE1 PHE 36 -4.472 0.717 -4.104 266 HZ PHE 36 HZ PHE 36 -6.792 1.326 -4.694 267 HB2 PHE 36 1HB PHE 36 -5.006 -3.861 -6.890 268 HB3 PHE 36 2HB PHE 36 -3.469 -3.144 -6.472 269 H TRP 37 H TRP 37 -1.487 -2.933 -8.409 270 HA TRP 37 HA TRP 37 -0.954 -0.043 -8.909 271 HD1 TRP 37 HD1 TRP 37 0.054 -3.688 -6.874 272 HE1 TRP 37 HE1 TRP 37 -0.957 -4.407 -4.629 273 HE3 TRP 37 HE3 TRP 37 -1.067 0.926 -4.938 274 HZ2 TRP 37 HZ2 TRP 37 -2.066 -3.161 -2.281 275 HZ3 TRP 37 HZ3 TRP 37 -2.151 1.117 -2.715 276 HH2 TRP 37 HH2 TRP 37 -2.640 -0.897 -1.375 277 HB2 TRP 37 1HB TRP 37 1.223 -1.154 -7.477 278 HB3 TRP 37 2HB TRP 37 0.171 0.156 -7.057 279 H LYS 38 H LYS 38 -1.453 -1.838 -10.879 280 HA LYS 38 HA LYS 38 1.217 -2.345 -12.098 281 HB2 LYS 38 1HB LYS 38 -0.468 -4.210 -11.548 282 HB3 LYS 38 2HB LYS 38 -1.344 -3.711 -12.983 283 HG2 LYS 38 1HG LYS 38 0.335 -4.497 -14.396 284 HG3 LYS 38 2HG LYS 38 1.629 -4.183 -13.224 285 HD2 LYS 38 1HD LYS 38 0.756 -6.043 -11.784 286 HD3 LYS 38 2HD LYS 38 -0.390 -6.463 -13.060 287 HE2 LYS 38 1HE LYS 38 2.652 -6.322 -13.373 288 HE3 LYS 38 2HE LYS 38 1.764 -7.793 -12.984 289 HZ1 LYS 38 3HZ LYS 38 1.440 -6.212 -15.472 290 HZ2 LYS 38 1HZ LYS 38 2.194 -7.651 -15.353 291 HZ3 LYS 38 2HZ LYS 38 0.564 -7.545 -15.084 292 H ASP 39 H ASP 39 -2.171 -1.555 -13.151 293 HA ASP 39 HA ASP 39 -0.990 0.476 -14.975 294 HB2 ASP 39 1HB ASP 39 -2.848 -1.762 -15.777 295 HB3 ASP 39 2HB ASP 39 -2.948 -0.190 -16.567 296 H ASP 40 H ASP 40 -4.372 -0.706 -14.241 297 HA ASP 40 HA ASP 40 -4.967 1.679 -12.734 298 HB2 ASP 40 1HB ASP 40 -4.750 2.581 -15.129 299 HB3 ASP 40 2HB ASP 40 -6.140 1.609 -15.554 300 H TYR 41 H TYR 41 -5.732 -0.058 -11.352 301 HA TYR 41 HA TYR 41 -8.318 -1.264 -12.213 302 HD1 TYR 41 HD2 TYR 41 -9.127 -4.040 -12.280 303 HD2 TYR 41 HD1 TYR 41 -6.503 -3.569 -8.909 304 HE1 TYR 41 HE2 TYR 41 -10.604 -5.487 -10.908 305 HE2 TYR 41 HE1 TYR 41 -7.981 -4.842 -7.502 306 HH TYR 41 HH TYR 41 -10.089 -6.995 -8.528 307 HB2 TYR 41 1HB TYR 41 -6.745 -3.035 -12.469 308 HB3 TYR 41 2HB TYR 41 -5.898 -2.611 -10.999 309 H VAL 42 H VAL 42 -9.767 -1.713 -10.516 310 HA VAL 42 HA VAL 42 -9.474 -0.119 -8.010 311 HB VAL 42 HB VAL 42 -11.873 -0.374 -9.874 312 HG11 VAL 42 1HG1 VAL 42 -11.436 1.388 -7.454 313 HG12 VAL 42 2HG1 VAL 42 -12.896 1.292 -8.464 314 HG13 VAL 42 3HG1 VAL 42 -12.436 -0.102 -7.496 315 HG21 VAL 42 3HG2 VAL 42 -10.170 1.053 -10.920 316 HG22 VAL 42 1HG2 VAL 42 -11.528 2.022 -10.368 317 HG23 VAL 42 2HG2 VAL 42 -10.018 2.004 -9.426 318 H MET 43 H MET 43 -9.304 -1.715 -6.514 319 HA MET 43 HA MET 43 -10.005 -4.375 -6.601 320 HB2 MET 43 1HB MET 43 -9.836 -2.466 -4.284 321 HB3 MET 43 2HB MET 43 -10.126 -4.181 -4.058 322 HG2 MET 43 1HG MET 43 -8.052 -4.794 -5.108 323 HG3 MET 43 2HG MET 43 -7.738 -3.135 -5.584 324 HE1 MET 43 3HE MET 43 -6.521 -1.225 -2.948 325 HE2 MET 43 1HE MET 43 -7.946 -1.301 -4.006 326 HE3 MET 43 2HE MET 43 -8.135 -1.467 -2.250 327 H THR 44 H THR 44 -11.974 -4.957 -7.450 328 HA THR 44 HA THR 44 -14.360 -3.637 -6.710 329 HB THR 44 HB THR 44 -15.420 -5.398 -8.099 330 HG1 THR 44 1HG THR 44 -14.163 -7.194 -7.397 331 HG21 THR 44 3HG2 THR 44 -12.762 -4.678 -9.397 332 HG22 THR 44 1HG2 THR 44 -14.300 -5.016 -10.197 333 HG23 THR 44 2HG2 THR 44 -14.110 -3.551 -9.228 334 H ASP 45 H ASP 45 -12.751 -6.285 -5.229 335 HA ASP 45 HA ASP 45 -15.177 -7.424 -4.013 336 HB2 ASP 45 1HB ASP 45 -12.968 -8.666 -4.875 337 HB3 ASP 45 2HB ASP 45 -12.352 -8.256 -3.284 338 H ARG 46 H ARG 46 -14.606 -8.069 -1.465 339 HA ARG 46 HA ARG 46 -13.694 -5.554 -0.176 340 HE ARG 46 HE ARG 46 -15.933 -10.575 2.438 341 HB2 ARG 46 1HB ARG 46 -14.596 -6.364 1.875 342 HB3 ARG 46 2HB ARG 46 -15.819 -6.483 0.619 343 HG2 ARG 46 1HG ARG 46 -14.825 -9.002 0.408 344 HG3 ARG 46 2HG ARG 46 -14.389 -8.685 2.092 345 HD2 ARG 46 1HD ARG 46 -16.794 -8.095 2.532 346 HD3 ARG 46 2HD ARG 46 -17.139 -8.408 0.825 347 HH11 ARG 46 2HH2 ARG 46 -18.975 -9.233 1.095 348 HH12 ARG 46 1HH2 ARG 46 -19.853 -10.692 1.418 349 HH21 ARG 46 2HH1 ARG 46 -17.164 -12.548 2.694 350 HH22 ARG 46 1HH1 ARG 46 -18.884 -12.412 2.492 351 H LEU 47 H LEU 47 -12.807 -8.893 -0.904 352 HA LEU 47 HA LEU 47 -11.065 -9.291 1.290 353 HG LEU 47 HG LEU 47 -13.125 -11.179 0.169 354 HB2 LEU 47 1HB LEU 47 -11.301 -10.598 -1.437 355 HB3 LEU 47 2HB LEU 47 -10.113 -11.120 -0.256 356 HD11 LEU 47 1HD1 LEU 47 -12.883 -13.576 -0.064 357 HD12 LEU 47 2HD1 LEU 47 -12.155 -12.828 -1.482 358 HD13 LEU 47 3HD1 LEU 47 -11.112 -13.444 -0.178 359 HD21 LEU 47 3HD2 LEU 47 -10.824 -12.128 1.941 360 HD22 LEU 47 1HD2 LEU 47 -12.046 -10.897 2.345 361 HD23 LEU 47 2HD2 LEU 47 -12.523 -12.582 2.175 362 H ALA 48 H ALA 48 -10.307 -7.686 -1.852 363 HA ALA 48 HA ALA 48 -7.472 -8.120 -1.545 364 HB1 ALA 48 1HB ALA 48 -7.186 -6.416 -3.225 365 HB2 ALA 48 2HB ALA 48 -8.573 -7.404 -3.716 366 HB3 ALA 48 3HB ALA 48 -8.808 -5.807 -2.971 367 H GLY 49 H GLY 49 -9.750 -5.584 -0.487 368 HA2 GLY 49 1HA GLY 49 -7.889 -3.866 0.841 369 HA3 GLY 49 2HA GLY 49 -9.589 -4.086 1.285 370 H CYS 50 H CYS 50 -9.497 -6.901 1.893 371 HA CYS 50 HA CYS 50 -8.554 -6.777 4.576 372 HB2 CYS 50 1HB CYS 50 -9.236 -9.276 2.940 373 HB3 CYS 50 2HB CYS 50 -9.106 -9.170 4.673 374 H ALA 51 H ALA 51 -7.191 -8.259 1.623 375 HA ALA 51 HA ALA 51 -4.812 -9.301 2.676 376 HB1 ALA 51 1HB ALA 51 -5.911 -8.795 0.066 377 HB2 ALA 51 2HB ALA 51 -4.265 -8.107 0.116 378 HB3 ALA 51 3HB ALA 51 -4.562 -9.805 0.502 379 H ILE 52 H ILE 52 -5.398 -5.970 1.389 380 HA ILE 52 HA ILE 52 -2.862 -4.909 2.077 381 HB ILE 52 HB ILE 52 -5.538 -3.457 1.999 382 HG12 ILE 52 1HG1 ILE 52 -3.484 -3.797 -0.258 383 HG13 ILE 52 2HG1 ILE 52 -5.019 -4.629 -0.194 384 HG21 ILE 52 1HG2 ILE 52 -3.330 -2.351 2.965 385 HG22 ILE 52 2HG2 ILE 52 -2.844 -2.212 1.298 386 HG23 ILE 52 3HG2 ILE 52 -4.347 -1.431 1.869 387 HD11 ILE 52 3HD1 ILE 52 -6.254 -2.503 -0.337 388 HD12 ILE 52 1HD1 ILE 52 -4.731 -1.592 -0.376 389 HD13 ILE 52 2HD1 ILE 52 -5.114 -2.680 -1.687 390 H ASN 53 H ASN 53 -5.900 -4.811 4.066 391 HA ASN 53 HA ASN 53 -4.878 -3.545 6.327 392 HB2 ASN 53 1HB ASN 53 -7.251 -4.922 5.655 393 HB3 ASN 53 2HB ASN 53 -6.628 -5.819 7.032 394 HD21 ASN 53 2HD2 ASN 53 -8.955 -3.889 6.545 395 HD22 ASN 53 1HD2 ASN 53 -8.864 -2.766 7.875 396 H CYS 54 H CYS 54 -4.570 -6.971 5.410 397 HA CYS 54 HA CYS 54 -3.340 -7.855 7.852 398 HB2 CYS 54 1HB CYS 54 -4.486 -9.341 6.417 399 HB3 CYS 54 2HB CYS 54 -3.466 -8.983 5.045 400 H LEU 55 H LEU 55 -2.016 -6.712 4.736 401 HA LEU 55 HA LEU 55 0.762 -7.094 5.365 402 HG LEU 55 HG LEU 55 1.056 -5.907 1.877 403 HB2 LEU 55 1HB LEU 55 -0.608 -5.059 3.572 404 HB3 LEU 55 2HB LEU 55 1.078 -4.941 3.941 405 HD11 LEU 55 1HD1 LEU 55 1.257 -8.405 3.593 406 HD12 LEU 55 2HD1 LEU 55 2.053 -8.058 2.049 407 HD13 LEU 55 3HD1 LEU 55 2.527 -7.158 3.513 408 HD21 LEU 55 3HD2 LEU 55 -0.239 -7.880 1.250 409 HD22 LEU 55 1HD2 LEU 55 -0.973 -7.915 2.857 410 HD23 LEU 55 2HD2 LEU 55 -1.298 -6.548 1.756 411 H ALA 56 H ALA 56 -1.454 -4.576 6.401 412 HA ALA 56 HA ALA 56 0.530 -2.742 7.482 413 HB1 ALA 56 1HB ALA 56 -1.396 -1.549 8.346 414 HB2 ALA 56 2HB ALA 56 -1.790 -2.078 6.700 415 HB3 ALA 56 3HB ALA 56 -2.455 -2.938 8.106 416 H THR 57 H THR 57 -0.750 -5.747 8.503 417 HA THR 57 HA THR 57 0.186 -5.292 11.281 418 HB THR 57 HB THR 57 -1.008 -7.332 11.882 419 HG1 THR 57 1HG THR 57 -1.346 -7.561 9.179 420 HG21 THR 57 3HG2 THR 57 -3.291 -6.489 11.758 421 HG22 THR 57 1HG2 THR 57 -2.159 -5.170 12.106 422 HG23 THR 57 2HG2 THR 57 -2.844 -5.347 10.477 423 H LYS 58 H LYS 58 1.558 -6.014 8.361 424 HA LYS 58 HA LYS 58 3.424 -7.920 9.622 425 HB2 LYS 58 1HB LYS 58 1.729 -8.259 7.150 426 HB3 LYS 58 2HB LYS 58 3.395 -8.812 7.036 427 HG2 LYS 58 1HG LYS 58 3.143 -10.058 9.170 428 HG3 LYS 58 2HG LYS 58 1.422 -9.624 9.159 429 HD2 LYS 58 1HD LYS 58 1.142 -10.841 6.987 430 HD3 LYS 58 2HD LYS 58 2.883 -11.174 6.953 431 HE2 LYS 58 1HE LYS 58 1.779 -13.153 7.756 432 HE3 LYS 58 2HE LYS 58 2.679 -12.442 9.090 433 HZ1 LYS 58 3HZ LYS 58 0.511 -13.082 9.808 434 HZ2 LYS 58 1HZ LYS 58 0.499 -11.446 9.805 435 HZ3 LYS 58 2HZ LYS 58 -0.216 -12.316 8.577 436 H LEU 59 H LEU 59 3.738 -5.171 9.592 437 HA LEU 59 HA LEU 59 5.200 -4.296 7.305 438 HG LEU 59 HG LEU 59 4.542 -1.172 9.006 439 HB2 LEU 59 1HB LEU 59 5.725 -3.235 10.074 440 HB3 LEU 59 2HB LEU 59 6.251 -2.567 8.524 441 HD11 LEU 59 1HD1 LEU 59 4.040 -2.167 6.800 442 HD12 LEU 59 2HD1 LEU 59 2.932 -3.306 7.588 443 HD13 LEU 59 3HD1 LEU 59 2.612 -1.565 7.650 444 HD21 LEU 59 3HD2 LEU 59 3.813 -2.117 11.060 445 HD22 LEU 59 1HD2 LEU 59 2.427 -1.700 10.063 446 HD23 LEU 59 2HD2 LEU 59 2.910 -3.406 10.216 447 H ASP 60 H ASP 60 6.243 -6.241 10.117 448 HA ASP 60 HA ASP 60 9.081 -6.108 9.573 449 HB2 ASP 60 1HB ASP 60 8.378 -6.672 11.753 450 HB3 ASP 60 2HB ASP 60 7.271 -7.901 11.137 451 H VAL 61 H VAL 61 6.525 -7.936 8.144 452 HA VAL 61 HA VAL 61 8.358 -10.029 7.083 453 HB VAL 61 HB VAL 61 5.347 -9.756 6.787 454 HG11 VAL 61 1HG1 VAL 61 7.001 -12.283 6.653 455 HG12 VAL 61 2HG1 VAL 61 5.336 -11.996 6.103 456 HG13 VAL 61 3HG1 VAL 61 6.679 -11.280 5.216 457 HG21 VAL 61 3HG2 VAL 61 5.729 -9.948 9.188 458 HG22 VAL 61 1HG2 VAL 61 5.183 -11.516 8.584 459 HG23 VAL 61 2HG2 VAL 61 6.901 -11.253 8.939 460 H VAL 62 H VAL 62 6.071 -7.398 6.042 461 HA VAL 62 HA VAL 62 6.670 -7.777 3.262 462 HB VAL 62 HB VAL 62 4.641 -6.735 4.536 463 HG11 VAL 62 1HG1 VAL 62 6.062 -4.917 5.579 464 HG12 VAL 62 2HG1 VAL 62 6.080 -4.152 3.983 465 HG13 VAL 62 3HG1 VAL 62 4.528 -4.433 4.831 466 HG21 VAL 62 3HG2 VAL 62 5.748 -5.477 2.026 467 HG22 VAL 62 1HG2 VAL 62 4.610 -6.870 2.150 468 HG23 VAL 62 2HG2 VAL 62 4.089 -5.248 2.614 469 H ASP 63 H ASP 63 8.054 -5.775 5.850 470 HA ASP 63 HA ASP 63 10.361 -5.051 4.137 471 HB2 ASP 63 1HB ASP 63 9.091 -3.090 4.079 472 HB3 ASP 63 2HB ASP 63 8.667 -3.200 5.775 473 HA PRO 64 HA PRO 64 11.876 -6.796 8.101 474 HB2 PRO 64 1HB PRO 64 13.871 -8.336 7.075 475 HB3 PRO 64 2HB PRO 64 12.173 -8.897 7.211 476 HG2 PRO 64 1HG PRO 64 13.585 -7.772 4.774 477 HG3 PRO 64 2HG PRO 64 12.529 -9.220 4.880 478 HD2 PRO 64 1HD PRO 64 11.611 -6.785 4.031 479 HD3 PRO 64 2HD PRO 64 10.581 -7.902 4.977 480 H ASP 65 H ASP 65 12.964 -4.528 5.759 481 HA ASP 65 HA ASP 65 15.777 -4.404 6.554 482 HB2 ASP 65 1HB ASP 65 14.313 -3.393 4.390 483 HB3 ASP 65 2HB ASP 65 14.531 -1.972 5.390 484 H GLY 66 H GLY 66 12.699 -2.901 7.338 485 HA2 GLY 66 1HA GLY 66 12.197 -2.487 9.677 486 HA3 GLY 66 2HA GLY 66 13.873 -2.058 9.961 487 H ASN 67 H ASN 67 11.755 -0.834 7.266 488 HA ASN 67 HA ASN 67 12.356 1.899 8.298 489 HB2 ASN 67 1HB ASN 67 11.418 1.360 5.508 490 HB3 ASN 67 2HB ASN 67 12.367 2.707 6.137 491 HD21 ASN 67 2HD2 ASN 67 14.561 1.331 7.295 492 HD22 ASN 67 1HD2 ASN 67 15.339 0.360 6.045 493 H LEU 68 H LEU 68 9.847 -0.160 6.756 494 HA LEU 68 HA LEU 68 7.679 1.735 7.073 495 HG LEU 68 HG LEU 68 6.592 0.971 4.897 496 HB2 LEU 68 1HB LEU 68 8.107 -0.813 5.809 497 HB3 LEU 68 2HB LEU 68 6.994 -1.149 7.049 498 HD11 LEU 68 1HD1 LEU 68 4.761 -0.710 4.232 499 HD12 LEU 68 2HD1 LEU 68 6.441 -1.178 3.911 500 HD13 LEU 68 3HD1 LEU 68 5.585 -1.867 5.290 501 HD21 LEU 68 3HD2 LEU 68 5.411 1.744 6.832 502 HD22 LEU 68 1HD2 LEU 68 4.220 0.985 5.784 503 HD23 LEU 68 2HD2 LEU 68 4.799 0.118 7.203 504 H HIS 69 H HIS 69 6.430 2.051 8.905 505 HA HIS 69 HA HIS 69 6.004 -0.112 10.763 506 HD1 HIS 69 HD1 HIS 69 8.233 -1.209 12.582 507 HD2 HIS 69 HD2 HIS 69 9.675 2.445 10.985 508 HE1 HIS 69 HE1 HIS 69 10.706 -1.522 12.197 509 HE2 HIS 69 HE2 HIS 69 11.608 0.688 11.215 510 HB2 HIS 69 1HB HIS 69 7.162 2.489 11.859 511 HB3 HIS 69 2HB HIS 69 6.590 1.142 12.790 512 H HIS 70 H HIS 70 4.195 0.654 12.349 513 HA HIS 70 HA HIS 70 2.147 1.970 10.910 514 HD1 HIS 70 HD1 HIS 70 2.512 -0.791 14.535 515 HD2 HIS 70 HD2 HIS 70 3.120 3.385 14.909 516 HE1 HIS 70 HE1 HIS 70 4.004 -0.423 16.614 517 HE2 HIS 70 HE2 HIS 70 4.412 2.140 16.782 518 HB2 HIS 70 1HB HIS 70 0.975 2.164 13.135 519 HB3 HIS 70 2HB HIS 70 1.485 0.560 12.654 520 H GLY 71 H GLY 71 1.298 3.974 10.953 521 HA2 GLY 71 1HA GLY 71 1.307 6.231 10.805 522 HA3 GLY 71 2HA GLY 71 2.134 6.266 12.364 523 H ASN 72 H ASN 72 3.923 4.526 9.890 524 HA ASN 72 HA ASN 72 5.768 6.831 9.652 525 HB2 ASN 72 1HB ASN 72 5.972 5.291 11.793 526 HB3 ASN 72 2HB ASN 72 6.656 4.140 10.663 527 HD21 ASN 72 2HD2 ASN 72 8.597 4.760 9.454 528 HD22 ASN 72 1HD2 ASN 72 9.718 5.921 10.167 529 H ALA 73 H ALA 73 4.560 6.185 7.362 530 HA ALA 73 HA ALA 73 6.198 4.360 5.791 531 HB1 ALA 73 1HB ALA 73 3.946 5.131 5.120 532 HB2 ALA 73 2HB ALA 73 4.574 6.783 4.964 533 HB3 ALA 73 3HB ALA 73 5.166 5.501 3.890 534 H LYS 74 H LYS 74 7.101 7.149 7.427 535 HA LYS 74 HA LYS 74 8.172 8.674 5.275 536 HB2 LYS 74 1HB LYS 74 7.508 9.108 7.998 537 HB3 LYS 74 2HB LYS 74 9.236 9.440 7.904 538 HG2 LYS 74 1HG LYS 74 8.882 11.076 6.117 539 HG3 LYS 74 2HG LYS 74 7.192 10.553 5.937 540 HD2 LYS 74 1HD LYS 74 6.758 11.279 8.284 541 HD3 LYS 74 2HD LYS 74 8.359 12.032 8.324 542 HE2 LYS 74 1HE LYS 74 7.768 13.698 6.794 543 HE3 LYS 74 2HE LYS 74 6.603 12.636 5.966 544 HZ1 LYS 74 3HZ LYS 74 5.082 12.898 7.724 545 HZ2 LYS 74 1HZ LYS 74 6.124 13.823 8.617 546 HZ3 LYS 74 2HZ LYS 74 5.529 14.415 7.217 547 H ASP 75 H ASP 75 9.899 6.864 7.887 548 HA ASP 75 HA ASP 75 12.518 7.034 6.860 549 HB2 ASP 75 1HB ASP 75 11.061 4.697 8.170 550 HB3 ASP 75 2HB ASP 75 12.758 4.631 7.732 551 H PHE 76 H PHE 76 9.768 4.949 5.970 552 HA PHE 76 HA PHE 76 11.242 3.176 4.254 553 HD1 PHE 76 HD1 PHE 76 9.852 0.498 4.294 554 HD2 PHE 76 HD2 PHE 76 7.703 3.520 2.037 555 HE1 PHE 76 HE1 PHE 76 9.175 -1.184 2.666 556 HE2 PHE 76 HE2 PHE 76 7.083 1.825 0.382 557 HZ PHE 76 HZ PHE 76 7.732 -0.538 0.688 558 HB2 PHE 76 1HB PHE 76 9.099 2.634 5.334 559 HB3 PHE 76 2HB PHE 76 8.275 3.850 4.392 560 H ALA 77 H ALA 77 9.242 6.035 3.535 561 HA ALA 77 HA ALA 77 9.592 6.065 0.734 562 HB1 ALA 77 1HB ALA 77 7.918 7.372 2.005 563 HB2 ALA 77 2HB ALA 77 9.219 8.337 2.729 564 HB3 ALA 77 3HB ALA 77 8.881 8.444 0.989 565 H MET 78 H MET 78 11.554 7.579 3.335 566 HA MET 78 HA MET 78 13.476 8.899 1.696 567 HB2 MET 78 1HB MET 78 14.008 7.676 4.438 568 HB3 MET 78 2HB MET 78 14.885 8.973 3.662 569 HG2 MET 78 1HG MET 78 12.182 9.854 3.788 570 HG3 MET 78 2HG MET 78 12.520 9.044 5.313 571 HE1 MET 78 3HE MET 78 12.513 12.920 5.955 572 HE2 MET 78 1HE MET 78 11.832 12.249 4.445 573 HE3 MET 78 2HE MET 78 11.539 11.424 5.977 574 H LYS 79 H LYS 79 13.217 5.550 2.768 575 HA LYS 79 HA LYS 79 15.915 4.845 1.796 576 HB2 LYS 79 1HB LYS 79 13.794 3.395 3.435 577 HB3 LYS 79 2HB LYS 79 15.283 2.615 2.919 578 HG2 LYS 79 1HG LYS 79 15.227 5.178 4.584 579 HG3 LYS 79 2HG LYS 79 15.367 3.543 5.237 580 HD2 LYS 79 1HD LYS 79 17.432 3.187 3.927 581 HD3 LYS 79 2HD LYS 79 17.347 4.846 3.298 582 HE2 LYS 79 1HE LYS 79 17.826 5.835 5.296 583 HE3 LYS 79 2HE LYS 79 17.183 4.488 6.249 584 HZ1 LYS 79 3HZ LYS 79 19.572 4.632 6.343 585 HZ2 LYS 79 1HZ LYS 79 19.059 3.206 5.751 586 HZ3 LYS 79 2HZ LYS 79 19.700 4.362 4.727 587 H HIS 80 H HIS 80 13.265 5.340 0.170 588 HA HIS 80 HA HIS 80 13.682 3.004 -1.666 589 HD1 HIS 80 HD1 HIS 80 10.838 1.061 -2.567 590 HD2 HIS 80 HD2 HIS 80 12.108 2.221 1.300 591 HE1 HIS 80 HE1 HIS 80 10.780 -1.004 -1.145 592 HE2 HIS 80 HE2 HIS 80 11.719 -0.290 1.216 593 HB2 HIS 80 1HB HIS 80 11.130 4.255 -0.611 594 HB3 HIS 80 2HB HIS 80 11.161 3.656 -2.248 595 H GLY 81 H GLY 81 12.184 6.317 -1.691 596 HA2 GLY 81 1HA GLY 81 13.739 7.186 -3.989 597 HA3 GLY 81 2HA GLY 81 12.265 6.321 -4.518 598 H ALA 82 H ALA 82 12.699 8.452 -1.638 599 HA ALA 82 HA ALA 82 11.135 10.583 -2.832 600 HB1 ALA 82 1HB ALA 82 9.680 10.370 -0.581 601 HB2 ALA 82 2HB ALA 82 9.241 9.433 -2.026 602 HB3 ALA 82 3HB ALA 82 10.147 8.681 -0.706 603 H ASP 83 H ASP 83 10.935 12.289 -1.140 604 HA ASP 83 HA ASP 83 13.040 12.280 0.910 605 HB2 ASP 83 1HB ASP 83 12.587 15.004 0.264 606 HB3 ASP 83 2HB ASP 83 14.063 14.128 0.186 607 H GLU 84 H GLU 84 12.301 14.052 2.630 608 HA GLU 84 HA GLU 84 9.920 13.542 3.842 609 HB2 GLU 84 1HB GLU 84 12.176 15.005 4.288 610 HB3 GLU 84 2HB GLU 84 11.100 16.319 3.770 611 HG2 GLU 84 1HG GLU 84 9.412 15.452 5.436 612 HG3 GLU 84 2HG GLU 84 10.654 14.288 5.953 613 H THR 85 H THR 85 10.282 15.823 1.210 614 HA THR 85 HA THR 85 7.672 17.037 1.694 615 HB THR 85 HB THR 85 9.451 16.696 -0.797 616 HG1 THR 85 1HG THR 85 9.893 18.881 -0.453 617 HG21 THR 85 3HG2 THR 85 6.959 18.435 -0.497 618 HG22 THR 85 1HG2 THR 85 8.124 18.484 -1.854 619 HG23 THR 85 2HG2 THR 85 7.179 17.032 -1.575 620 H MET 86 H MET 86 8.890 14.498 -0.573 621 HA MET 86 HA MET 86 6.350 13.890 -1.696 622 HB2 MET 86 1HB MET 86 8.795 12.134 -1.423 623 HB3 MET 86 2HB MET 86 7.479 11.863 -2.529 624 HG2 MET 86 1HG MET 86 8.382 14.540 -2.939 625 HG3 MET 86 2HG MET 86 9.797 13.557 -2.788 626 HE1 MET 86 3HE MET 86 10.434 11.574 -4.606 627 HE2 MET 86 1HE MET 86 8.917 10.773 -4.139 628 HE3 MET 86 2HE MET 86 9.289 11.050 -5.850 629 H ALA 87 H ALA 87 8.294 12.401 0.889 630 HA ALA 87 HA ALA 87 6.614 10.222 1.579 631 HB1 ALA 87 1HB ALA 87 7.904 10.177 3.631 632 HB2 ALA 87 2HB ALA 87 9.017 10.628 2.317 633 HB3 ALA 87 3HB ALA 87 8.408 11.864 3.434 634 H GLN 88 H GLN 88 6.689 13.649 2.826 635 HA GLN 88 HA GLN 88 4.529 13.125 4.664 636 HB2 GLN 88 1HB GLN 88 6.321 14.766 4.953 637 HB3 GLN 88 2HB GLN 88 5.838 15.642 3.534 638 HG2 GLN 88 1HG GLN 88 4.187 15.142 6.010 639 HG3 GLN 88 2HG GLN 88 5.171 16.639 5.662 640 HE21 GLN 88 2HE2 GLN 88 2.161 15.619 6.020 641 HE22 GLN 88 1HE2 GLN 88 1.375 16.244 4.590 642 H GLN 89 H GLN 89 4.748 14.410 1.290 643 HA GLN 89 HA GLN 89 2.062 15.309 1.049 644 HB2 GLN 89 1HB GLN 89 3.997 14.276 -1.028 645 HB3 GLN 89 2HB GLN 89 2.319 14.740 -1.367 646 HG2 GLN 89 1HG GLN 89 3.172 16.933 0.108 647 HG3 GLN 89 2HG GLN 89 4.649 16.453 -0.744 648 HE21 GLN 89 2HE2 GLN 89 4.455 16.077 -3.128 649 HE22 GLN 89 1HE2 GLN 89 3.242 17.049 -3.974 650 H LEU 90 H LEU 90 3.475 12.010 0.385 651 HA LEU 90 HA LEU 90 1.168 10.646 -0.239 652 HG LEU 90 HG LEU 90 2.414 9.440 -1.431 653 HB2 LEU 90 1HB LEU 90 3.770 9.867 1.146 654 HB3 LEU 90 2HB LEU 90 2.457 8.716 0.969 655 HD11 LEU 90 1HD1 LEU 90 5.137 10.282 -1.382 656 HD12 LEU 90 2HD1 LEU 90 3.915 10.035 -2.697 657 HD13 LEU 90 3HD1 LEU 90 3.660 11.299 -1.550 658 HD21 LEU 90 3HD2 LEU 90 4.984 7.995 -0.610 659 HD22 LEU 90 1HD2 LEU 90 3.393 7.207 -0.555 660 HD23 LEU 90 2HD2 LEU 90 4.043 7.728 -2.111 661 H VAL 91 H VAL 91 2.492 11.073 2.980 662 HA VAL 91 HA VAL 91 0.336 9.940 4.392 663 HB VAL 91 HB VAL 91 2.598 11.355 5.261 664 HG11 VAL 91 1HG1 VAL 91 1.268 13.467 5.610 665 HG12 VAL 91 2HG1 VAL 91 0.138 12.546 6.638 666 HG13 VAL 91 3HG1 VAL 91 1.848 12.758 7.108 667 HG21 VAL 91 3HG2 VAL 91 1.740 9.267 6.196 668 HG22 VAL 91 1HG2 VAL 91 1.835 10.453 7.502 669 HG23 VAL 91 2HG2 VAL 91 0.258 10.079 6.776 670 H ASP 92 H ASP 92 0.653 13.302 3.269 671 HA ASP 92 HA ASP 92 -1.854 14.190 4.256 672 HB2 ASP 92 1HB ASP 92 0.173 15.543 3.401 673 HB3 ASP 92 2HB ASP 92 -0.499 15.308 1.775 674 H ILE 93 H ILE 93 -1.033 12.427 1.246 675 HA ILE 93 HA ILE 93 -3.560 12.748 0.000 676 HB ILE 93 HB ILE 93 -1.805 10.293 -0.228 677 HG12 ILE 93 1HG1 ILE 93 -0.370 12.111 -0.766 678 HG13 ILE 93 2HG1 ILE 93 -0.659 11.143 -2.155 679 HG21 ILE 93 1HG2 ILE 93 -2.737 9.846 -2.332 680 HG22 ILE 93 2HG2 ILE 93 -4.131 10.276 -1.306 681 HG23 ILE 93 3HG2 ILE 93 -3.453 11.413 -2.490 682 HD11 ILE 93 3HD1 ILE 93 -0.705 13.813 -2.191 683 HD12 ILE 93 1HD1 ILE 93 -1.744 12.845 -3.274 684 HD13 ILE 93 2HD1 ILE 93 -2.406 13.573 -1.789 685 H ILE 94 H ILE 94 -2.257 10.276 2.257 686 HA ILE 94 HA ILE 94 -4.764 8.696 2.042 687 HB ILE 94 HB ILE 94 -2.570 7.584 2.337 688 HG12 ILE 94 1HG1 ILE 94 -3.600 6.102 4.324 689 HG13 ILE 94 2HG1 ILE 94 -5.058 7.048 3.980 690 HG21 ILE 94 1HG2 ILE 94 -1.501 9.005 3.947 691 HG22 ILE 94 2HG2 ILE 94 -2.678 8.551 5.201 692 HG23 ILE 94 3HG2 ILE 94 -1.581 7.349 4.536 693 HD11 ILE 94 3HD1 ILE 94 -4.883 6.303 1.596 694 HD12 ILE 94 1HD1 ILE 94 -3.420 5.372 2.025 695 HD13 ILE 94 2HD1 ILE 94 -4.971 4.953 2.757 696 H HIS 95 H HIS 95 -3.322 10.972 4.389 697 HA HIS 95 HA HIS 95 -5.533 10.764 6.232 698 HD1 HIS 95 HD1 HIS 95 -2.588 13.197 8.731 699 HD2 HIS 95 HD2 HIS 95 -3.656 9.531 6.919 700 HE1 HIS 95 HE1 HIS 95 -1.785 11.333 10.274 701 HE2 HIS 95 HE2 HIS 95 -2.461 9.097 9.169 702 HB2 HIS 95 1HB HIS 95 -3.445 12.925 5.723 703 HB3 HIS 95 2HB HIS 95 -4.735 13.113 6.904 704 H GLY 96 H GLY 96 -5.079 12.526 3.156 705 HA2 GLY 96 1HA GLY 96 -7.353 14.262 3.486 706 HA3 GLY 96 2HA GLY 96 -6.608 13.780 1.946 707 H CYS 97 H CYS 97 -6.848 11.199 1.752 708 HA CYS 97 HA CYS 97 -9.545 10.777 1.032 709 HB2 CYS 97 1HB CYS 97 -7.056 9.057 1.240 710 HB3 CYS 97 2HB CYS 97 -8.592 8.362 0.746 711 H GLU 98 H GLU 98 -7.774 9.621 3.986 712 HA GLU 98 HA GLU 98 -9.826 7.808 4.629 713 HB2 GLU 98 1HB GLU 98 -8.743 7.264 6.532 714 HB3 GLU 98 2HB GLU 98 -7.409 7.798 5.499 715 HG2 GLU 98 1HG GLU 98 -7.506 10.005 6.593 716 HG3 GLU 98 2HG GLU 98 -8.856 9.403 7.569 717 H LYS 99 H LYS 99 -9.262 11.207 5.486 718 HA LYS 99 HA LYS 99 -11.538 11.450 7.293 719 HB2 LYS 99 1HB LYS 99 -9.644 13.404 5.963 720 HB3 LYS 99 2HB LYS 99 -11.181 14.009 6.544 721 HG2 LYS 99 1HG LYS 99 -9.516 14.378 8.203 722 HG3 LYS 99 2HG LYS 99 -10.733 13.277 8.820 723 HD2 LYS 99 1HD LYS 99 -9.293 11.404 8.737 724 HD3 LYS 99 2HD LYS 99 -8.162 12.185 7.656 725 HE2 LYS 99 1HE LYS 99 -8.575 12.868 10.582 726 HE3 LYS 99 2HE LYS 99 -7.219 11.988 9.868 727 HZ1 LYS 99 3HZ LYS 99 -7.814 14.842 9.735 728 HZ2 LYS 99 1HZ LYS 99 -6.367 14.077 10.009 729 HZ3 LYS 99 2HZ LYS 99 -7.012 14.183 8.489 730 H SER 100 H SER 100 -11.009 12.283 3.832 731 HA SER 100 HA SER 100 -13.745 13.172 3.529 732 HG SER 100 HG SER 100 -12.816 14.629 0.624 733 HB2 SER 100 1HB SER 100 -11.399 13.610 2.141 734 HB3 SER 100 2HB SER 100 -12.227 12.474 1.070 735 H ALA 101 H ALA 101 -12.601 10.061 3.935 736 HA ALA 101 HA ALA 101 -13.326 8.518 1.930 737 HB1 ALA 101 1HB ALA 101 -13.905 7.888 4.850 738 HB2 ALA 101 2HB ALA 101 -13.700 6.694 3.555 739 HB3 ALA 101 3HB ALA 101 -12.330 7.706 4.048 740 HA PRO 102 HA PRO 102 -17.629 9.110 1.390 741 HB2 PRO 102 1HB PRO 102 -18.348 6.892 -0.103 742 HB3 PRO 102 2HB PRO 102 -17.375 8.253 -0.744 743 HG2 PRO 102 1HG PRO 102 -16.405 5.615 0.376 744 HG3 PRO 102 2HG PRO 102 -15.922 6.424 -1.152 745 HD2 PRO 102 1HD PRO 102 -14.437 6.617 1.125 746 HD3 PRO 102 2HD PRO 102 -14.590 8.013 0.015 747 HA PRO 103 HA PRO 103 -19.836 6.834 4.520 748 HB2 PRO 103 1HB PRO 103 -22.356 6.659 3.422 749 HB3 PRO 103 2HB PRO 103 -21.700 8.138 4.191 750 HG2 PRO 103 1HG PRO 103 -21.904 7.434 1.262 751 HG3 PRO 103 2HG PRO 103 -22.173 9.020 2.046 752 HD2 PRO 103 1HD PRO 103 -19.876 8.351 0.764 753 HD3 PRO 103 2HD PRO 103 -19.900 9.462 2.167 754 H ASN 104 H ASN 104 -18.938 4.845 4.527 755 HA ASN 104 HA ASN 104 -20.200 2.643 3.008 756 HB2 ASN 104 1HB ASN 104 -18.344 3.467 1.560 757 HB3 ASN 104 2HB ASN 104 -17.198 3.244 2.876 758 HD21 ASN 104 2HD2 ASN 104 -16.319 1.902 0.852 759 HD22 ASN 104 1HD2 ASN 104 -16.777 0.216 0.889 760 H ASP 105 H ASP 105 -17.231 3.149 4.900 761 HA ASP 105 HA ASP 105 -16.413 2.365 6.793 762 HB2 ASP 105 1HB ASP 105 -19.253 2.291 7.813 763 HB3 ASP 105 2HB ASP 105 -17.757 2.148 8.745 764 H ASP 106 H ASP 106 -15.472 0.429 6.226 765 HA ASP 106 HA ASP 106 -16.434 -1.834 7.732 766 HB2 ASP 106 1HB ASP 106 -17.374 -1.983 5.137 767 HB3 ASP 106 2HB ASP 106 -15.700 -2.483 4.908 768 H LYS 107 H LYS 107 -14.433 -3.458 7.835 769 HA LYS 107 HA LYS 107 -12.179 -1.736 8.362 770 HB2 LYS 107 1HB LYS 107 -12.714 -4.713 8.354 771 HB3 LYS 107 2HB LYS 107 -11.093 -4.087 8.690 772 HG2 LYS 107 1HG LYS 107 -13.007 -2.710 10.367 773 HG3 LYS 107 2HG LYS 107 -13.323 -4.435 10.467 774 HD2 LYS 107 1HD LYS 107 -11.804 -4.162 12.190 775 HD3 LYS 107 2HD LYS 107 -10.716 -4.636 10.871 776 HE2 LYS 107 1HE LYS 107 -10.396 -2.130 10.407 777 HE3 LYS 107 2HE LYS 107 -11.351 -1.808 11.862 778 HZ1 LYS 107 3HZ LYS 107 -9.597 -3.069 13.107 779 HZ2 LYS 107 1HZ LYS 107 -8.738 -3.182 11.726 780 HZ3 LYS 107 2HZ LYS 107 -9.023 -1.716 12.358 781 H CYS 108 H CYS 108 -13.042 -4.216 5.842 782 HA CYS 108 HA CYS 108 -10.494 -3.683 4.659 783 HB2 CYS 108 1HB CYS 108 -12.690 -5.455 3.543 784 HB3 CYS 108 2HB CYS 108 -11.015 -5.401 3.064 785 H MET 109 H MET 109 -14.009 -3.170 3.993 786 HA MET 109 HA MET 109 -13.535 -2.260 1.388 787 HB2 MET 109 1HB MET 109 -15.971 -1.582 3.046 788 HB3 MET 109 2HB MET 109 -15.804 -1.360 1.338 789 HG2 MET 109 1HG MET 109 -15.052 -4.068 1.788 790 HG3 MET 109 2HG MET 109 -16.506 -3.790 2.740 791 HE1 MET 109 3HE MET 109 -14.870 -3.620 -0.836 792 HE2 MET 109 1HE MET 109 -16.253 -3.221 -1.874 793 HE3 MET 109 2HE MET 109 -15.606 -2.004 -0.754 794 H LYS 110 H LYS 110 -13.744 -0.372 4.464 795 HA LYS 110 HA LYS 110 -13.599 2.235 3.234 796 HB2 LYS 110 1HB LYS 110 -14.181 1.900 5.638 797 HB3 LYS 110 2HB LYS 110 -12.529 1.303 5.932 798 HG2 LYS 110 1HG LYS 110 -11.626 3.500 5.162 799 HG3 LYS 110 2HG LYS 110 -13.277 4.107 5.020 800 HD2 LYS 110 1HD LYS 110 -12.107 2.971 7.605 801 HD3 LYS 110 2HD LYS 110 -11.929 4.648 7.112 802 HE2 LYS 110 1HE LYS 110 -14.540 4.635 6.871 803 HE3 LYS 110 2HE LYS 110 -14.491 3.194 7.903 804 HZ1 LYS 110 3HZ LYS 110 -13.248 4.528 9.524 805 HZ2 LYS 110 1HZ LYS 110 -13.296 5.832 8.501 806 HZ3 LYS 110 2HZ LYS 110 -14.690 5.302 9.130 807 H THR 111 H THR 111 -11.143 -0.138 4.331 808 HA THR 111 HA THR 111 -8.884 1.442 3.687 809 HB THR 111 HB THR 111 -9.204 -1.593 3.681 810 HG1 THR 111 1HG THR 111 -9.497 -1.031 5.721 811 HG21 THR 111 3HG2 THR 111 -6.756 -1.628 4.133 812 HG22 THR 111 1HG2 THR 111 -7.153 -1.088 2.489 813 HG23 THR 111 2HG2 THR 111 -6.690 0.101 3.724 814 H ILE 112 H ILE 112 -10.853 -0.713 1.538 815 HA ILE 112 HA ILE 112 -9.268 -0.211 -0.756 816 HB ILE 112 HB ILE 112 -12.209 -0.939 -0.471 817 HG12 ILE 112 1HG1 ILE 112 -9.812 -2.610 -1.316 818 HG13 ILE 112 2HG1 ILE 112 -10.370 -2.476 0.333 819 HG21 ILE 112 1HG2 ILE 112 -10.534 -0.776 -3.006 820 HG22 ILE 112 2HG2 ILE 112 -12.134 -1.566 -2.892 821 HG23 ILE 112 3HG2 ILE 112 -11.988 0.145 -2.601 822 HD11 ILE 112 3HD1 ILE 112 -12.649 -3.271 -0.408 823 HD12 ILE 112 1HD1 ILE 112 -11.944 -3.572 -2.015 824 HD13 ILE 112 2HD1 ILE 112 -11.356 -4.460 -0.588 825 H ASP 113 H ASP 113 -12.242 1.495 0.416 826 HA ASP 113 HA ASP 113 -12.471 3.237 -1.747 827 HB2 ASP 113 1HB ASP 113 -13.515 3.136 1.009 828 HB3 ASP 113 2HB ASP 113 -13.315 4.771 0.415 829 H VAL 114 H VAL 114 -10.730 3.708 1.329 830 HA VAL 114 HA VAL 114 -9.700 6.299 0.717 831 HB VAL 114 HB VAL 114 -9.010 4.157 2.758 832 HG11 VAL 114 1HG1 VAL 114 -7.076 5.701 2.673 833 HG12 VAL 114 2HG1 VAL 114 -8.150 7.102 2.778 834 HG13 VAL 114 3HG1 VAL 114 -8.008 6.015 4.150 835 HG21 VAL 114 3HG2 VAL 114 -10.651 6.713 2.915 836 HG22 VAL 114 1HG2 VAL 114 -11.304 5.070 2.965 837 HG23 VAL 114 2HG2 VAL 114 -10.295 5.641 4.293 838 H ALA 115 H ALA 115 -8.329 2.953 0.265 839 HA ALA 115 HA ALA 115 -5.851 3.781 -0.827 840 HB1 ALA 115 1HB ALA 115 -7.465 1.243 -1.380 841 HB2 ALA 115 2HB ALA 115 -5.758 1.500 -1.798 842 HB3 ALA 115 3HB ALA 115 -6.266 1.474 -0.101 843 H MET 116 H MET 116 -8.980 3.106 -2.537 844 HA MET 116 HA MET 116 -7.797 3.668 -5.132 845 HB2 MET 116 1HB MET 116 -9.950 3.446 -6.070 846 HB3 MET 116 2HB MET 116 -9.693 2.142 -4.930 847 HG2 MET 116 1HG MET 116 -11.257 3.011 -3.395 848 HG3 MET 116 2HG MET 116 -11.253 4.606 -4.102 849 HE1 MET 116 3HE MET 116 -11.773 0.883 -5.235 850 HE2 MET 116 1HE MET 116 -13.085 1.156 -4.028 851 HE3 MET 116 2HE MET 116 -13.476 0.896 -5.735 852 H CYS 117 H CYS 117 -9.463 5.602 -2.654 853 HA CYS 117 HA CYS 117 -9.777 7.966 -4.193 854 HB2 CYS 117 1HB CYS 117 -10.919 7.806 -2.129 855 HB3 CYS 117 2HB CYS 117 -9.441 7.456 -1.229 856 H PHE 118 H PHE 118 -7.000 6.738 -2.220 857 HA PHE 118 HA PHE 118 -5.286 8.863 -2.351 858 HD1 PHE 118 HD2 PHE 118 -2.289 6.861 -4.012 859 HD2 PHE 118 HD1 PHE 118 -3.304 7.538 0.133 860 HE1 PHE 118 HE2 PHE 118 0.124 7.356 -3.420 861 HE2 PHE 118 HE1 PHE 118 -0.935 8.057 0.631 862 HZ PHE 118 HZ PHE 118 0.775 8.072 -1.270 863 HB2 PHE 118 1HB PHE 118 -4.904 6.542 -1.320 864 HB3 PHE 118 2HB PHE 118 -4.433 5.979 -2.910 865 H LYS 119 H LYS 119 -5.676 6.444 -4.964 866 HA LYS 119 HA LYS 119 -3.878 7.691 -6.788 867 HB2 LYS 119 1HB LYS 119 -4.680 5.371 -6.793 868 HB3 LYS 119 2HB LYS 119 -6.256 5.900 -7.409 869 HG2 LYS 119 1HG LYS 119 -5.205 6.707 -9.474 870 HG3 LYS 119 2HG LYS 119 -3.588 6.385 -8.800 871 HD2 LYS 119 1HD LYS 119 -5.686 4.218 -9.208 872 HD3 LYS 119 2HD LYS 119 -4.523 4.637 -10.462 873 HE2 LYS 119 1HE LYS 119 -3.576 3.982 -7.662 874 HE3 LYS 119 2HE LYS 119 -4.005 2.673 -8.743 875 HZ1 LYS 119 3HZ LYS 119 -2.330 3.352 -10.243 876 HZ2 LYS 119 1HZ LYS 119 -2.029 4.777 -9.476 877 HZ3 LYS 119 2HZ LYS 119 -1.629 3.338 -8.765 878 H LYS 120 H LYS 120 -7.202 8.643 -6.004 879 HA LYS 120 HA LYS 120 -7.490 10.289 -8.415 880 HB2 LYS 120 1HB LYS 120 -8.878 10.681 -5.740 881 HB3 LYS 120 2HB LYS 120 -9.310 11.357 -7.295 882 HG2 LYS 120 1HG LYS 120 -9.516 8.406 -6.535 883 HG3 LYS 120 2HG LYS 120 -10.823 9.584 -6.556 884 HD2 LYS 120 1HD LYS 120 -10.080 9.905 -9.098 885 HD3 LYS 120 2HD LYS 120 -9.410 8.274 -8.875 886 HE2 LYS 120 1HE LYS 120 -11.642 7.494 -8.070 887 HE3 LYS 120 2HE LYS 120 -12.280 9.119 -8.237 888 HZ1 LYS 120 3HZ LYS 120 -11.371 7.397 -10.469 889 HZ2 LYS 120 1HZ LYS 120 -12.898 7.744 -10.082 890 HZ3 LYS 120 2HZ LYS 120 -11.932 8.963 -10.608 891 H GLU 121 H GLU 121 -6.369 10.724 -4.979 892 HA GLU 121 HA GLU 121 -5.919 13.576 -5.315 893 HB2 GLU 121 1HB GLU 121 -5.557 11.484 -3.185 894 HB3 GLU 121 2HB GLU 121 -4.707 13.012 -3.008 895 HG2 GLU 121 1HG GLU 121 -7.694 12.765 -3.387 896 HG3 GLU 121 2HG GLU 121 -6.894 12.856 -1.823 897 H ILE 122 H ILE 122 -4.128 10.754 -6.173 898 HA ILE 122 HA ILE 122 -1.545 11.989 -6.246 899 HB ILE 122 HB ILE 122 -2.852 9.682 -7.692 900 HG12 ILE 122 1HG1 ILE 122 -0.849 10.027 -5.465 901 HG13 ILE 122 2HG1 ILE 122 -2.366 9.252 -5.409 902 HG21 ILE 122 1HG2 ILE 122 0.062 10.385 -8.135 903 HG22 ILE 122 2HG2 ILE 122 -0.853 8.992 -8.777 904 HG23 ILE 122 3HG2 ILE 122 -1.234 10.608 -9.322 905 HD11 ILE 122 3HD1 ILE 122 -0.449 7.713 -5.283 906 HD12 ILE 122 1HD1 ILE 122 -1.625 7.305 -6.554 907 HD13 ILE 122 2HD1 ILE 122 -0.062 8.048 -6.951 908 H HIS 123 H HIS 123 -4.458 12.552 -8.231 909 HA HIS 123 HA HIS 123 -3.203 13.448 -10.574 910 HD1 HIS 123 HD1 HIS 123 -7.217 13.664 -12.244 911 HD2 HIS 123 HD2 HIS 123 -4.929 11.045 -9.837 912 HE1 HIS 123 HE1 HIS 123 -7.804 11.257 -12.968 913 HE2 HIS 123 HE2 HIS 123 -6.317 9.694 -11.585 914 HB2 HIS 123 1HB HIS 123 -5.838 14.211 -9.234 915 HB3 HIS 123 2HB HIS 123 -5.335 14.817 -10.780 916 H LYS 124 H LYS 124 -3.242 14.973 -7.380 917 HA LYS 124 HA LYS 124 -2.510 17.565 -8.651 918 HB2 LYS 124 1HB LYS 124 -3.115 18.597 -6.469 919 HB3 LYS 124 2HB LYS 124 -4.395 17.906 -7.435 920 HG2 LYS 124 1HG LYS 124 -5.127 16.977 -5.506 921 HG3 LYS 124 2HG LYS 124 -3.895 15.782 -5.829 922 HD2 LYS 124 1HD LYS 124 -3.354 16.193 -3.730 923 HD3 LYS 124 2HD LYS 124 -2.370 17.496 -4.472 924 HE2 LYS 124 1HE LYS 124 -4.260 19.062 -3.969 925 HE3 LYS 124 2HE LYS 124 -5.091 17.721 -3.144 926 HZ1 LYS 124 3HZ LYS 124 -3.856 19.008 -1.567 927 HZ2 LYS 124 1HZ LYS 124 -3.074 17.546 -1.719 928 HZ3 LYS 124 2HZ LYS 124 -2.460 18.883 -2.419 929 H LEU 125 H LEU 125 -0.935 14.891 -7.465 930 HA LEU 125 HA LEU 125 1.199 16.205 -6.030 931 HG LEU 125 HG LEU 125 -0.183 13.642 -5.377 932 HB2 LEU 125 1HB LEU 125 1.107 13.608 -7.615 933 HB3 LEU 125 2HB LEU 125 2.470 14.127 -6.732 934 HD11 LEU 125 1HD1 LEU 125 0.708 11.518 -4.674 935 HD12 LEU 125 2HD1 LEU 125 0.625 11.637 -6.449 936 HD13 LEU 125 3HD1 LEU 125 2.199 11.797 -5.620 937 HD21 LEU 125 3HD2 LEU 125 1.534 15.053 -4.090 938 HD22 LEU 125 1HD2 LEU 125 1.099 13.541 -3.312 939 HD23 LEU 125 2HD2 LEU 125 2.629 13.652 -4.145 940 H ASN 126 H ASN 126 0.706 15.044 -9.350 941 HA ASN 126 HA ASN 126 1.248 15.766 -11.384 942 HB2 ASN 126 1HB ASN 126 3.178 17.841 -10.366 943 HB3 ASN 126 2HB ASN 126 2.388 17.725 -11.928 944 HD21 ASN 126 2HD2 ASN 126 -0.309 17.177 -10.838 945 HD22 ASN 126 1HD2 ASN 126 -0.764 18.600 -9.930 946 H TRP 127 H TRP 127 3.438 15.018 -9.029 947 HA TRP 127 HA TRP 127 5.265 13.645 -10.984 948 HD1 TRP 127 HD1 TRP 127 4.530 15.488 -7.162 949 HE1 TRP 127 HE1 TRP 127 4.242 14.602 -4.796 950 HE3 TRP 127 HE3 TRP 127 6.685 10.862 -7.730 951 HZ2 TRP 127 HZ2 TRP 127 4.592 12.092 -3.370 952 HZ3 TRP 127 HZ3 TRP 127 6.927 9.393 -5.796 953 HH2 TRP 127 HH2 TRP 127 5.792 9.877 -3.622 954 HB2 TRP 127 1HB TRP 127 6.677 12.973 -9.191 955 HB3 TRP 127 2HB TRP 127 6.399 14.715 -9.074 956 H VAL 128 H VAL 128 5.634 11.203 -9.605 957 HA VAL 128 HA VAL 128 2.969 10.071 -9.256 958 HB VAL 128 HB VAL 128 3.465 10.176 -11.630 959 HG11 VAL 128 1HG1 VAL 128 5.823 9.478 -11.492 960 HG12 VAL 128 2HG1 VAL 128 5.278 7.836 -11.119 961 HG13 VAL 128 3HG1 VAL 128 4.875 8.563 -12.701 962 HG21 VAL 128 3HG2 VAL 128 2.920 7.401 -10.481 963 HG22 VAL 128 1HG2 VAL 128 1.710 8.702 -10.641 964 HG23 VAL 128 2HG2 VAL 128 2.433 7.990 -12.085 965 HA PRO 129 HA PRO 129 5.689 7.883 -6.436 966 HB2 PRO 129 1HB PRO 129 3.796 6.702 -4.844 967 HB3 PRO 129 2HB PRO 129 4.282 8.394 -4.759 968 HG2 PRO 129 1HG PRO 129 1.920 7.143 -6.133 969 HG3 PRO 129 2HG PRO 129 1.937 8.623 -5.090 970 HD2 PRO 129 1HD PRO 129 1.965 8.646 -7.863 971 HD3 PRO 129 2HD PRO 129 2.779 9.933 -6.886 972 H ASN 130 H ASN 130 6.654 6.114 -6.496 973 HA ASN 130 HA ASN 130 6.266 3.942 -8.169 974 HB2 ASN 130 1HB ASN 130 7.657 4.084 -5.433 975 HB3 ASN 130 2HB ASN 130 7.803 2.712 -6.543 976 HD21 ASN 130 2HD2 ASN 130 9.972 4.669 -5.614 977 HD22 ASN 130 1HD2 ASN 130 10.608 5.302 -7.083 978 H MET 131 H MET 131 5.637 1.777 -7.777 979 HA MET 131 HA MET 131 3.477 0.883 -6.367 980 HB2 MET 131 1HB MET 131 6.151 -0.338 -7.116 981 HB3 MET 131 2HB MET 131 5.143 -1.194 -5.985 982 HG2 MET 131 1HG MET 131 3.270 -0.694 -7.881 983 HG3 MET 131 2HG MET 131 4.705 -0.701 -8.890 984 HE1 MET 131 3HE MET 131 3.222 -4.236 -6.233 985 HE2 MET 131 1HE MET 131 3.833 -2.724 -5.575 986 HE3 MET 131 2HE MET 131 2.338 -2.718 -6.505 987 H ASP 132 H ASP 132 6.835 0.699 -5.026 988 HA ASP 132 HA ASP 132 6.198 -0.132 -2.517 989 HB2 ASP 132 1HB ASP 132 8.416 1.901 -3.038 990 HB3 ASP 132 2HB ASP 132 8.325 0.677 -1.763 991 H LEU 133 H LEU 133 6.705 3.345 -3.483 992 HA LEU 133 HA LEU 133 6.256 4.574 -1.186 993 HG LEU 133 HG LEU 133 6.598 7.389 -2.272 994 HB2 LEU 133 1HB LEU 133 6.239 5.123 -4.066 995 HB3 LEU 133 2HB LEU 133 5.105 6.135 -3.245 996 HD11 LEU 133 1HD1 LEU 133 8.944 6.829 -1.648 997 HD12 LEU 133 2HD1 LEU 133 7.659 6.087 -0.704 998 HD13 LEU 133 3HD1 LEU 133 8.562 5.136 -1.958 999 HD21 LEU 133 3HD2 LEU 133 8.487 7.882 -3.718 1000 HD22 LEU 133 1HD2 LEU 133 8.442 6.242 -4.396 1001 HD23 LEU 133 2HD2 LEU 133 7.109 7.390 -4.701 1002 H VAL 134 H VAL 134 3.693 3.771 -3.579 1003 HA VAL 134 HA VAL 134 1.558 5.017 -2.127 1004 HB VAL 134 HB VAL 134 1.518 2.679 -4.108 1005 HG11 VAL 134 1HG1 VAL 134 -0.620 2.802 -2.918 1006 HG12 VAL 134 2HG1 VAL 134 -0.728 4.547 -3.232 1007 HG13 VAL 134 3HG1 VAL 134 -0.817 3.384 -4.571 1008 HG21 VAL 134 3HG2 VAL 134 1.182 5.667 -4.538 1009 HG22 VAL 134 1HG2 VAL 134 2.499 4.650 -5.156 1010 HG23 VAL 134 2HG2 VAL 134 0.869 4.413 -5.756 1011 H ILE 135 H ILE 135 2.871 1.691 -2.114 1012 HA ILE 135 HA ILE 135 0.627 0.735 -0.571 1013 HB ILE 135 HB ILE 135 3.243 -0.636 -1.300 1014 HG12 ILE 135 1HG1 ILE 135 0.538 -0.964 -2.617 1015 HG13 ILE 135 2HG1 ILE 135 1.649 0.237 -3.224 1016 HG21 ILE 135 1HG2 ILE 135 0.529 -1.709 -0.349 1017 HG22 ILE 135 2HG2 ILE 135 1.860 -2.724 -0.954 1018 HG23 ILE 135 3HG2 ILE 135 2.056 -1.800 0.541 1019 HD11 ILE 135 3HD1 ILE 135 3.371 -1.621 -3.480 1020 HD12 ILE 135 1HD1 ILE 135 2.011 -2.748 -3.226 1021 HD13 ILE 135 2HD1 ILE 135 1.983 -1.608 -4.578 1022 H GLY 136 H GLY 136 4.079 1.433 0.112 1023 HA2 GLY 136 1HA GLY 136 4.200 0.784 2.828 1024 HA3 GLY 136 2HA GLY 136 5.089 2.104 2.056 1025 H GLU 137 H GLU 137 2.716 3.688 1.264 1026 HA GLU 137 HA GLU 137 2.320 4.976 3.785 1027 HB2 GLU 137 1HB GLU 137 2.507 6.095 1.525 1028 HB3 GLU 137 2HB GLU 137 0.863 5.549 1.183 1029 HG2 GLU 137 1HG GLU 137 0.847 7.833 2.030 1030 HG3 GLU 137 2HG GLU 137 0.042 6.784 3.136 1031 H VAL 138 H VAL 138 -0.123 3.258 1.629 1032 HA VAL 138 HA VAL 138 -2.190 3.584 3.420 1033 HB VAL 138 HB VAL 138 -2.140 2.760 1.023 1034 HG11 VAL 138 1HG1 VAL 138 -1.978 -0.011 2.182 1035 HG12 VAL 138 2HG1 VAL 138 -2.398 0.428 0.516 1036 HG13 VAL 138 3HG1 VAL 138 -0.788 0.781 1.118 1037 HG21 VAL 138 3HG2 VAL 138 -4.307 1.682 1.215 1038 HG22 VAL 138 1HG2 VAL 138 -4.006 1.335 2.942 1039 HG23 VAL 138 2HG2 VAL 138 -4.161 3.005 2.378 1040 H LEU 139 H LEU 139 0.084 0.907 3.304 1041 HA LEU 139 HA LEU 139 -0.622 -0.663 5.464 1042 HG LEU 139 HG LEU 139 0.768 -2.529 4.838 1043 HB2 LEU 139 1HB LEU 139 1.952 0.074 4.041 1044 HB3 LEU 139 2HB LEU 139 2.082 -0.822 5.523 1045 HD11 LEU 139 1HD1 LEU 139 0.172 -1.274 2.165 1046 HD12 LEU 139 2HD1 LEU 139 -0.177 -2.959 2.601 1047 HD13 LEU 139 3HD1 LEU 139 -0.969 -1.647 3.469 1048 HD21 LEU 139 3HD2 LEU 139 2.832 -1.750 2.739 1049 HD22 LEU 139 1HD2 LEU 139 3.103 -2.690 4.212 1050 HD23 LEU 139 2HD2 LEU 139 2.207 -3.401 2.856 1051 H ALA 140 H ALA 140 1.047 2.352 5.551 1052 HA ALA 140 HA ALA 140 1.797 2.043 8.396 1053 HB1 ALA 140 1HB ALA 140 2.865 4.248 8.091 1054 HB2 ALA 140 2HB ALA 140 3.383 3.102 6.838 1055 HB3 ALA 140 3HB ALA 140 2.176 4.357 6.455 1056 H GLU 141 H GLU 141 -0.574 3.864 6.460 1057 HA GLU 141 HA GLU 141 -1.549 5.404 8.720 1058 HB2 GLU 141 1HB GLU 141 -1.827 5.925 6.258 1059 HB3 GLU 141 2HB GLU 141 -3.017 4.620 6.134 1060 HG2 GLU 141 1HG GLU 141 -3.250 7.139 7.898 1061 HG3 GLU 141 2HG GLU 141 -4.021 6.925 6.339 1062 H VAL 142 H VAL 142 -2.685 2.440 7.029 1063 HA VAL 142 HA VAL 142 -4.883 1.981 8.741 1064 HB VAL 142 HB VAL 142 -3.307 0.379 6.731 1065 HG11 VAL 142 1HG1 VAL 142 -4.459 -1.330 8.046 1066 HG12 VAL 142 2HG1 VAL 142 -5.981 -0.421 7.961 1067 HG13 VAL 142 3HG1 VAL 142 -5.298 -1.147 6.501 1068 HG21 VAL 142 3HG2 VAL 142 -5.274 0.938 5.268 1069 HG22 VAL 142 1HG2 VAL 142 -6.065 1.746 6.637 1070 HG23 VAL 142 2HG2 VAL 142 -4.592 2.412 5.935 Start of MODEL 8 1 HA SER 1 HA SER 1 25.203 -9.609 -8.716 2 HG SER 1 HG SER 1 25.366 -7.383 -12.080 3 H1 SER 1 H SER 1 23.058 -9.611 -10.740 4 HB2 SER 1 1HB SER 1 26.113 -7.667 -10.042 5 HB3 SER 1 2HB SER 1 26.183 -9.234 -10.833 6 HA PRO 2 HA PRO 2 22.863 -6.891 -6.302 7 HB2 PRO 2 1HB PRO 2 24.731 -5.751 -4.725 8 HB3 PRO 2 2HB PRO 2 24.461 -7.514 -4.735 9 HG2 PRO 2 1HG PRO 2 26.579 -5.958 -6.258 10 HG3 PRO 2 2HG PRO 2 26.799 -7.421 -5.260 11 HD2 PRO 2 1HD PRO 2 26.523 -7.519 -7.950 12 HD3 PRO 2 2HD PRO 2 25.906 -8.812 -6.890 13 H GLU 3 H GLU 3 21.902 -5.564 -7.895 14 HA GLU 3 HA GLU 3 22.698 -2.760 -7.514 15 HB2 GLU 3 1HB GLU 3 23.864 -3.586 -9.582 16 HB3 GLU 3 2HB GLU 3 22.288 -3.935 -10.280 17 HG2 GLU 3 1HG GLU 3 21.662 -1.505 -9.931 18 HG3 GLU 3 2HG GLU 3 23.324 -1.213 -9.406 19 H ILE 4 H ILE 4 20.437 -4.716 -9.555 20 HA ILE 4 HA ILE 4 18.095 -3.471 -8.206 21 HB ILE 4 HB ILE 4 17.028 -3.386 -10.469 22 HG12 ILE 4 1HG1 ILE 4 19.894 -3.210 -11.514 23 HG13 ILE 4 2HG1 ILE 4 18.939 -4.697 -11.608 24 HG21 ILE 4 1HG2 ILE 4 17.832 -1.098 -10.822 25 HG22 ILE 4 2HG2 ILE 4 17.657 -1.432 -9.101 26 HG23 ILE 4 3HG2 ILE 4 19.271 -1.421 -9.838 27 HD11 ILE 4 3HD1 ILE 4 17.194 -3.531 -12.858 28 HD12 ILE 4 1HD1 ILE 4 18.151 -2.035 -12.837 29 HD13 ILE 4 2HD1 ILE 4 18.764 -3.472 -13.696 30 H MET 5 H MET 5 18.838 -5.673 -7.204 31 HA MET 5 HA MET 5 16.810 -7.624 -8.100 32 HB2 MET 5 1HB MET 5 19.623 -8.251 -7.162 33 HB3 MET 5 2HB MET 5 18.327 -9.449 -7.282 34 HG2 MET 5 1HG MET 5 18.146 -9.048 -9.695 35 HG3 MET 5 2HG MET 5 19.366 -7.781 -9.600 36 HE1 MET 5 3HE MET 5 20.200 -12.301 -9.148 37 HE2 MET 5 1HE MET 5 19.417 -11.386 -7.844 38 HE3 MET 5 2HE MET 5 18.603 -11.568 -9.423 39 H LYS 6 H LYS 6 16.151 -8.953 -6.110 40 HA LYS 6 HA LYS 6 15.222 -8.915 -4.005 41 HB2 LYS 6 1HB LYS 6 18.223 -8.847 -3.545 42 HB3 LYS 6 2HB LYS 6 17.043 -9.214 -2.304 43 HG2 LYS 6 1HG LYS 6 16.219 -11.151 -3.687 44 HG3 LYS 6 2HG LYS 6 17.565 -10.857 -4.800 45 HD2 LYS 6 1HD LYS 6 19.148 -11.028 -2.824 46 HD3 LYS 6 2HD LYS 6 17.749 -11.390 -1.798 47 HE2 LYS 6 1HE LYS 6 17.300 -13.390 -3.327 48 HE3 LYS 6 2HE LYS 6 18.888 -13.071 -4.052 49 HZ1 LYS 6 3HZ LYS 6 19.867 -13.341 -1.844 50 HZ2 LYS 6 1HZ LYS 6 18.386 -13.632 -1.182 51 HZ3 LYS 6 2HZ LYS 6 19.042 -14.687 -2.265 52 H ASN 7 H ASN 7 14.352 -6.605 -4.456 53 HA ASN 7 HA ASN 7 15.394 -4.751 -2.513 54 HB2 ASN 7 1HB ASN 7 15.365 -2.853 -3.908 55 HB3 ASN 7 2HB ASN 7 16.591 -4.031 -4.388 56 HD21 ASN 7 2HD2 ASN 7 16.090 -5.388 -6.194 57 HD22 ASN 7 1HD2 ASN 7 14.783 -4.993 -7.315 58 H LEU 8 H LEU 8 13.639 -4.629 -1.252 59 HA LEU 8 HA LEU 8 11.604 -5.098 -0.586 60 HG LEU 8 HG LEU 8 10.115 -1.857 -0.043 61 HB2 LEU 8 1HB LEU 8 12.005 -2.512 -1.362 62 HB3 LEU 8 2HB LEU 8 10.535 -2.871 -2.200 63 HD11 LEU 8 1HD1 LEU 8 9.243 -4.731 0.111 64 HD12 LEU 8 2HD1 LEU 8 8.623 -3.413 1.111 65 HD13 LEU 8 3HD1 LEU 8 8.399 -3.361 -0.633 66 HD21 LEU 8 3HD2 LEU 8 12.289 -2.654 0.973 67 HD22 LEU 8 1HD2 LEU 8 10.886 -2.695 2.061 68 HD23 LEU 8 2HD2 LEU 8 11.467 -4.182 1.319 69 H SER 9 H SER 9 12.229 -6.691 -2.796 70 HA SER 9 HA SER 9 9.675 -7.122 -4.203 71 HG SER 9 HG SER 9 13.206 -8.870 -5.025 72 HB2 SER 9 1HB SER 9 11.160 -8.712 -5.507 73 HB3 SER 9 2HB SER 9 11.605 -7.000 -5.581 74 H ASN 10 H ASN 10 12.073 -9.094 -2.495 75 HA ASN 10 HA ASN 10 10.602 -11.464 -2.441 76 HB2 ASN 10 1HB ASN 10 12.492 -10.875 -0.104 77 HB3 ASN 10 2HB ASN 10 12.197 -12.378 -0.911 78 HD21 ASN 10 2HD2 ASN 10 14.190 -9.618 -0.636 79 HD22 ASN 10 1HD2 ASN 10 15.258 -9.963 -1.948 80 H ASN 11 H ASN 11 11.145 -9.362 0.240 81 HA ASN 11 HA ASN 11 9.474 -10.344 2.261 82 HB2 ASN 11 1HB ASN 11 9.590 -7.817 2.894 83 HB3 ASN 11 2HB ASN 11 10.995 -8.783 3.002 84 HD21 ASN 11 2HD2 ASN 11 12.809 -7.429 2.365 85 HD22 ASN 11 1HD2 ASN 11 12.795 -6.492 0.899 86 H PHE 12 H PHE 12 8.863 -7.802 -0.181 87 HA PHE 12 HA PHE 12 6.370 -7.164 0.631 88 HD1 PHE 12 HD2 PHE 12 4.595 -6.210 0.028 89 HD2 PHE 12 HD1 PHE 12 7.311 -4.293 -2.714 90 HE1 PHE 12 HE2 PHE 12 3.594 -4.026 0.549 91 HE2 PHE 12 HE1 PHE 12 6.307 -2.122 -2.192 92 HZ PHE 12 HZ PHE 12 4.519 -1.955 -0.475 93 HB2 PHE 12 1HB PHE 12 8.000 -6.269 -1.256 94 HB3 PHE 12 2HB PHE 12 6.914 -7.100 -2.350 95 H GLY 13 H GLY 13 7.225 -9.532 -1.948 96 HA2 GLY 13 1HA GLY 13 4.552 -10.403 -2.523 97 HA3 GLY 13 2HA GLY 13 6.058 -11.251 -2.914 98 H LYS 14 H LYS 14 6.996 -11.433 -0.153 99 HA LYS 14 HA LYS 14 5.839 -13.943 0.553 100 HB2 LYS 14 1HB LYS 14 8.035 -13.823 1.146 101 HB3 LYS 14 2HB LYS 14 8.005 -12.095 1.470 102 HG2 LYS 14 1HG LYS 14 6.951 -12.382 3.555 103 HG3 LYS 14 2HG LYS 14 6.861 -14.132 3.358 104 HD2 LYS 14 1HD LYS 14 9.527 -13.864 3.049 105 HD3 LYS 14 2HD LYS 14 9.237 -12.344 3.897 106 HE2 LYS 14 1HE LYS 14 9.819 -13.921 5.591 107 HE3 LYS 14 2HE LYS 14 8.072 -13.696 5.720 108 HZ1 LYS 14 3HZ LYS 14 8.584 -16.027 5.808 109 HZ2 LYS 14 1HZ LYS 14 7.777 -15.738 4.429 110 HZ3 LYS 14 2HZ LYS 14 9.413 -15.983 4.414 111 H ALA 15 H ALA 15 5.587 -10.648 2.047 112 HA ALA 15 HA ALA 15 3.752 -11.490 4.058 113 HB1 ALA 15 1HB ALA 15 3.308 -9.090 4.348 114 HB2 ALA 15 2HB ALA 15 5.038 -9.334 4.081 115 HB3 ALA 15 3HB ALA 15 4.027 -8.739 2.754 116 H MET 16 H MET 16 3.169 -10.654 0.627 117 HA MET 16 HA MET 16 0.333 -10.436 0.840 118 HB2 MET 16 1HB MET 16 1.975 -9.788 -1.163 119 HB3 MET 16 2HB MET 16 1.719 -11.449 -1.669 120 HG2 MET 16 1HG MET 16 -0.550 -9.570 -0.982 121 HG3 MET 16 2HG MET 16 0.100 -9.672 -2.597 122 HE1 MET 16 3HE MET 16 -2.967 -10.508 -3.224 123 HE2 MET 16 1HE MET 16 -3.600 -11.641 -1.978 124 HE3 MET 16 2HE MET 16 -2.918 -10.069 -1.505 125 H ASP 17 H ASP 17 2.581 -13.117 0.125 126 HA ASP 17 HA ASP 17 0.624 -15.133 -0.406 127 HB2 ASP 17 1HB ASP 17 3.045 -15.262 -1.031 128 HB3 ASP 17 2HB ASP 17 3.467 -15.390 0.673 129 H GLN 18 H GLN 18 2.345 -14.189 2.585 130 HA GLN 18 HA GLN 18 1.220 -16.104 4.331 131 HB2 GLN 18 1HB GLN 18 2.238 -13.322 4.834 132 HB3 GLN 18 2HB GLN 18 1.656 -14.444 6.089 133 HG2 GLN 18 1HG GLN 18 3.179 -16.202 5.274 134 HG3 GLN 18 2HG GLN 18 3.839 -15.101 4.056 135 HE21 GLN 18 2HE2 GLN 18 5.729 -15.983 5.346 136 HE22 GLN 18 1HE2 GLN 18 6.104 -15.140 6.882 137 H CYS 19 H CYS 19 -0.133 -12.945 3.187 138 HA CYS 19 HA CYS 19 -2.474 -13.131 4.914 139 HB2 CYS 19 1HB CYS 19 -1.707 -11.360 2.580 140 HB3 CYS 19 2HB CYS 19 -3.198 -11.181 3.496 141 H LYS 20 H LYS 20 -1.629 -13.889 1.490 142 HA LYS 20 HA LYS 20 -4.260 -14.646 0.631 143 HB2 LYS 20 1HB LYS 20 -2.377 -14.114 -0.869 144 HB3 LYS 20 2HB LYS 20 -1.498 -15.513 -0.297 145 HG2 LYS 20 1HG LYS 20 -3.330 -16.982 -1.224 146 HG3 LYS 20 2HG LYS 20 -4.084 -15.525 -1.840 147 HD2 LYS 20 1HD LYS 20 -2.858 -16.339 -3.666 148 HD3 LYS 20 2HD LYS 20 -1.715 -15.148 -2.981 149 HE2 LYS 20 1HE LYS 20 -0.679 -17.087 -1.681 150 HE3 LYS 20 2HE LYS 20 -1.783 -18.174 -2.503 151 HZ1 LYS 20 3HZ LYS 20 0.226 -18.189 -3.729 152 HZ2 LYS 20 1HZ LYS 20 -0.789 -17.233 -4.636 153 HZ3 LYS 20 2HZ LYS 20 0.371 -16.546 -3.716 154 H ASP 21 H ASP 21 -2.135 -16.109 2.894 155 HA ASP 21 HA ASP 21 -3.371 -18.757 2.572 156 HB2 ASP 21 1HB ASP 21 -0.992 -18.869 2.757 157 HB3 ASP 21 2HB ASP 21 -0.959 -17.778 4.138 158 H GLU 22 H GLU 22 -2.483 -16.558 5.274 159 HA GLU 22 HA GLU 22 -4.255 -17.662 7.152 160 HB2 GLU 22 1HB GLU 22 -3.039 -14.861 6.965 161 HB3 GLU 22 2HB GLU 22 -3.879 -15.512 8.383 162 HG2 GLU 22 1HG GLU 22 -2.218 -17.471 8.247 163 HG3 GLU 22 2HG GLU 22 -1.235 -16.445 7.203 164 H LEU 23 H LEU 23 -4.794 -15.288 4.641 165 HA LEU 23 HA LEU 23 -7.584 -14.856 5.698 166 HG LEU 23 HG LEU 23 -4.995 -12.603 5.149 167 HB2 LEU 23 1HB LEU 23 -6.392 -13.479 3.317 168 HB3 LEU 23 2HB LEU 23 -7.831 -13.114 4.187 169 HD11 LEU 23 1HD1 LEU 23 -5.810 -11.101 3.407 170 HD12 LEU 23 2HD1 LEU 23 -7.320 -10.828 4.306 171 HD13 LEU 23 3HD1 LEU 23 -5.792 -10.237 4.951 172 HD21 LEU 23 3HD2 LEU 23 -7.629 -12.146 6.584 173 HD22 LEU 23 1HD2 LEU 23 -6.290 -13.190 7.110 174 HD23 LEU 23 2HD2 LEU 23 -6.068 -11.440 7.082 175 H SER 24 H SER 24 -5.676 -16.609 3.360 176 HA SER 24 HA SER 24 -6.292 -17.945 1.578 177 HG SER 24 HG SER 24 -6.425 -19.041 3.817 178 HB2 SER 24 1HB SER 24 -8.605 -18.148 3.430 179 HB3 SER 24 2HB SER 24 -8.547 -19.047 1.893 180 H LEU 25 H LEU 25 -6.074 -15.489 0.729 181 HA LEU 25 HA LEU 25 -8.538 -14.421 -0.370 182 HG LEU 25 HG LEU 25 -5.840 -12.640 1.158 183 HB2 LEU 25 1HB LEU 25 -5.612 -13.582 -0.933 184 HB3 LEU 25 2HB LEU 25 -7.028 -12.804 -1.539 185 HD11 LEU 25 1HD1 LEU 25 -6.702 -10.389 0.876 186 HD12 LEU 25 2HD1 LEU 25 -5.913 -10.917 -0.645 187 HD13 LEU 25 3HD1 LEU 25 -7.679 -10.856 -0.528 188 HD21 LEU 25 3HD2 LEU 25 -8.897 -12.483 0.715 189 HD22 LEU 25 1HD2 LEU 25 -8.107 -13.589 1.830 190 HD23 LEU 25 2HD2 LEU 25 -8.063 -11.849 2.142 191 HA PRO 26 HA PRO 26 -8.515 -17.244 -3.686 192 HB2 PRO 26 1HB PRO 26 -10.136 -15.922 -5.559 193 HB3 PRO 26 2HB PRO 26 -10.706 -16.925 -4.219 194 HG2 PRO 26 1HG PRO 26 -10.509 -13.967 -4.409 195 HG3 PRO 26 2HG PRO 26 -11.741 -14.923 -3.543 196 HD2 PRO 26 1HD PRO 26 -9.616 -13.612 -2.317 197 HD3 PRO 26 2HD PRO 26 -10.384 -15.078 -1.657 198 H ASP 27 H ASP 27 -7.405 -17.578 -5.554 199 HA ASP 27 HA ASP 27 -5.206 -16.135 -6.214 200 HB2 ASP 27 1HB ASP 27 -6.055 -18.503 -6.867 201 HB3 ASP 27 2HB ASP 27 -6.706 -17.744 -8.301 202 H SER 28 H SER 28 -8.445 -15.385 -7.339 203 HA SER 28 HA SER 28 -7.626 -13.768 -9.638 204 HG SER 28 HG SER 28 -9.883 -16.167 -8.877 205 HB2 SER 28 1HB SER 28 -10.254 -13.446 -9.426 206 HB3 SER 28 2HB SER 28 -9.496 -14.727 -10.345 207 H VAL 29 H VAL 29 -8.767 -13.394 -6.274 208 HA VAL 29 HA VAL 29 -8.969 -10.475 -6.534 209 HB VAL 29 HB VAL 29 -9.041 -12.374 -4.152 210 HG11 VAL 29 1HG1 VAL 29 -7.894 -10.362 -3.354 211 HG12 VAL 29 2HG1 VAL 29 -9.122 -9.333 -4.122 212 HG13 VAL 29 3HG1 VAL 29 -9.547 -10.386 -2.755 213 HG21 VAL 29 3HG2 VAL 29 -11.355 -11.528 -3.960 214 HG22 VAL 29 1HG2 VAL 29 -11.080 -10.399 -5.307 215 HG23 VAL 29 2HG2 VAL 29 -11.110 -12.134 -5.607 216 H VAL 30 H VAL 30 -6.568 -12.979 -5.577 217 HA VAL 30 HA VAL 30 -4.565 -11.134 -4.721 218 HB VAL 30 HB VAL 30 -4.402 -13.914 -5.964 219 HG11 VAL 30 1HG1 VAL 30 -2.246 -12.946 -6.365 220 HG12 VAL 30 2HG1 VAL 30 -2.178 -12.263 -4.728 221 HG13 VAL 30 3HG1 VAL 30 -2.082 -14.013 -4.970 222 HG21 VAL 30 3HG2 VAL 30 -5.423 -13.337 -3.507 223 HG22 VAL 30 1HG2 VAL 30 -4.578 -14.821 -3.925 224 HG23 VAL 30 2HG2 VAL 30 -3.703 -13.518 -3.097 225 H ALA 31 H ALA 31 -5.024 -12.732 -7.986 226 HA ALA 31 HA ALA 31 -3.012 -11.284 -9.265 227 HB1 ALA 31 1HB ALA 31 -4.221 -11.815 -11.344 228 HB2 ALA 31 2HB ALA 31 -4.198 -13.218 -10.259 229 HB3 ALA 31 3HB ALA 31 -5.679 -12.242 -10.417 230 H ASP 32 H ASP 32 -6.445 -10.379 -8.735 231 HA ASP 32 HA ASP 32 -6.330 -7.898 -10.145 232 HB2 ASP 32 1HB ASP 32 -8.122 -9.042 -8.018 233 HB3 ASP 32 2HB ASP 32 -8.228 -7.346 -8.413 234 H LEU 33 H LEU 33 -5.804 -8.457 -6.530 235 HA LEU 33 HA LEU 33 -5.246 -5.829 -6.008 236 HG LEU 33 HG LEU 33 -5.364 -7.129 -2.777 237 HB2 LEU 33 1HB LEU 33 -5.685 -8.008 -4.608 238 HB3 LEU 33 2HB LEU 33 -3.969 -8.254 -4.669 239 HD11 LEU 33 1HD1 LEU 33 -3.333 -6.102 -1.824 240 HD12 LEU 33 2HD1 LEU 33 -2.947 -7.642 -2.609 241 HD13 LEU 33 3HD1 LEU 33 -2.571 -6.105 -3.422 242 HD21 LEU 33 3HD2 LEU 33 -6.071 -5.147 -4.136 243 HD22 LEU 33 1HD2 LEU 33 -5.297 -4.736 -2.610 244 HD23 LEU 33 2HD2 LEU 33 -4.394 -4.583 -4.134 245 H TYR 34 H TYR 34 -3.298 -8.080 -7.743 246 HA TYR 34 HA TYR 34 -0.900 -6.341 -7.464 247 HD1 TYR 34 HD1 TYR 34 -1.586 -9.459 -6.293 248 HD2 TYR 34 HD2 TYR 34 1.980 -8.001 -8.210 249 HE1 TYR 34 HE1 TYR 34 -0.252 -10.468 -4.513 250 HE2 TYR 34 HE2 TYR 34 3.340 -8.914 -6.363 251 HH TYR 34 HH TYR 34 2.968 -9.604 -3.924 252 HB2 TYR 34 1HB TYR 34 -1.420 -8.933 -8.886 253 HB3 TYR 34 2HB TYR 34 -0.077 -7.890 -9.372 254 H ASN 35 H ASN 35 -3.518 -6.996 -9.862 255 HA ASN 35 HA ASN 35 -2.482 -5.323 -11.927 256 HB2 ASN 35 1HB ASN 35 -5.337 -6.069 -11.223 257 HB3 ASN 35 2HB ASN 35 -4.940 -4.982 -12.537 258 HD21 ASN 35 2HD2 ASN 35 -5.927 -8.008 -12.252 259 HD22 ASN 35 1HD2 ASN 35 -5.039 -8.725 -13.561 260 H PHE 36 H PHE 36 -4.280 -4.597 -8.983 261 HA PHE 36 HA PHE 36 -5.103 -2.045 -9.410 262 HD1 PHE 36 HD1 PHE 36 -7.258 -1.595 -7.382 263 HD2 PHE 36 HD2 PHE 36 -3.236 -0.849 -6.070 264 HE1 PHE 36 HE1 PHE 36 -8.003 0.473 -6.226 265 HE2 PHE 36 HE2 PHE 36 -3.947 1.230 -4.966 266 HZ PHE 36 HZ PHE 36 -6.355 1.823 -4.929 267 HB2 PHE 36 1HB PHE 36 -5.464 -3.457 -7.347 268 HB3 PHE 36 2HB PHE 36 -3.846 -3.051 -6.838 269 H TRP 37 H TRP 37 -1.842 -2.721 -8.006 270 HA TRP 37 HA TRP 37 -1.026 0.040 -8.284 271 HD1 TRP 37 HD1 TRP 37 -0.253 -4.104 -6.547 272 HE1 TRP 37 HE1 TRP 37 -1.597 -4.289 -4.400 273 HE3 TRP 37 HE3 TRP 37 -0.608 0.877 -5.406 274 HZ2 TRP 37 HZ2 TRP 37 -2.750 -2.492 -2.426 275 HZ3 TRP 37 HZ3 TRP 37 -1.834 1.605 -3.370 276 HH2 TRP 37 HH2 TRP 37 -2.922 -0.052 -1.897 277 HB2 TRP 37 1HB TRP 37 0.874 -2.276 -7.887 278 HB3 TRP 37 2HB TRP 37 0.949 -0.644 -7.218 279 H LYS 38 H LYS 38 -1.434 -2.286 -10.662 280 HA LYS 38 HA LYS 38 1.276 -2.273 -11.745 281 HB2 LYS 38 1HB LYS 38 -0.108 -4.308 -11.600 282 HB3 LYS 38 2HB LYS 38 -1.297 -3.594 -12.696 283 HG2 LYS 38 1HG LYS 38 0.237 -3.610 -14.529 284 HG3 LYS 38 2HG LYS 38 1.608 -4.031 -13.486 285 HD2 LYS 38 1HD LYS 38 -0.814 -5.849 -13.563 286 HD3 LYS 38 2HD LYS 38 0.319 -5.871 -14.917 287 HE2 LYS 38 1HE LYS 38 1.391 -6.089 -12.094 288 HE3 LYS 38 2HE LYS 38 0.643 -7.501 -12.854 289 HZ1 LYS 38 3HZ LYS 38 3.051 -7.374 -13.251 290 HZ2 LYS 38 1HZ LYS 38 2.155 -7.387 -14.637 291 HZ3 LYS 38 2HZ LYS 38 2.814 -5.982 -14.146 292 H ASP 39 H ASP 39 -1.951 -1.443 -12.975 293 HA ASP 39 HA ASP 39 -0.782 0.620 -14.789 294 HB2 ASP 39 1HB ASP 39 -2.734 -1.583 -15.549 295 HB3 ASP 39 2HB ASP 39 -2.595 -0.075 -16.443 296 H ASP 40 H ASP 40 -4.034 -0.735 -14.418 297 HA ASP 40 HA ASP 40 -5.302 1.766 -13.509 298 HB2 ASP 40 1HB ASP 40 -4.846 2.391 -15.719 299 HB3 ASP 40 2HB ASP 40 -4.919 0.749 -16.327 300 H TYR 41 H TYR 41 -5.793 -0.029 -11.842 301 HA TYR 41 HA TYR 41 -8.265 -1.379 -12.750 302 HD1 TYR 41 HD1 TYR 41 -7.009 -2.918 -9.148 303 HD2 TYR 41 HD2 TYR 41 -8.450 -4.638 -12.819 304 HE1 TYR 41 HE1 TYR 41 -8.510 -4.321 -7.848 305 HE2 TYR 41 HE2 TYR 41 -9.988 -6.077 -11.534 306 HH TYR 41 HH TYR 41 -10.629 -6.758 -9.417 307 HB2 TYR 41 1HB TYR 41 -6.595 -3.072 -12.831 308 HB3 TYR 41 2HB TYR 41 -5.860 -2.539 -11.336 309 H VAL 42 H VAL 42 -9.812 -1.746 -11.102 310 HA VAL 42 HA VAL 42 -9.630 -0.020 -8.685 311 HB VAL 42 HB VAL 42 -11.512 -0.063 -10.987 312 HG11 VAL 42 1HG1 VAL 42 -13.414 0.875 -9.714 313 HG12 VAL 42 2HG1 VAL 42 -13.162 -0.855 -9.495 314 HG13 VAL 42 3HG1 VAL 42 -12.662 0.260 -8.228 315 HG21 VAL 42 3HG2 VAL 42 -10.768 2.089 -8.982 316 HG22 VAL 42 1HG2 VAL 42 -9.965 1.795 -10.543 317 HG23 VAL 42 2HG2 VAL 42 -11.653 2.312 -10.506 318 H MET 43 H MET 43 -9.883 -1.166 -6.883 319 HA MET 43 HA MET 43 -10.721 -3.949 -6.860 320 HB2 MET 43 1HB MET 43 -10.313 -1.868 -4.667 321 HB3 MET 43 2HB MET 43 -10.799 -3.530 -4.344 322 HG2 MET 43 1HG MET 43 -8.729 -4.386 -5.268 323 HG3 MET 43 2HG MET 43 -8.203 -2.764 -5.709 324 HE1 MET 43 3HE MET 43 -6.739 -1.278 -4.057 325 HE2 MET 43 1HE MET 43 -8.436 -0.796 -3.776 326 HE3 MET 43 2HE MET 43 -7.336 -1.055 -2.398 327 H THR 44 H THR 44 -12.709 -4.738 -6.429 328 HA THR 44 HA THR 44 -14.824 -2.924 -5.401 329 HB THR 44 HB THR 44 -15.382 -3.053 -7.631 330 HG1 THR 44 1HG THR 44 -17.128 -3.673 -6.148 331 HG21 THR 44 3HG2 THR 44 -14.898 -6.050 -7.562 332 HG22 THR 44 1HG2 THR 44 -15.614 -5.149 -8.927 333 HG23 THR 44 2HG2 THR 44 -13.960 -4.813 -8.435 334 H ASP 45 H ASP 45 -13.481 -6.237 -5.669 335 HA ASP 45 HA ASP 45 -15.008 -7.633 -3.908 336 HB2 ASP 45 1HB ASP 45 -12.087 -8.228 -4.347 337 HB3 ASP 45 2HB ASP 45 -13.506 -9.248 -4.413 338 H ARG 46 H ARG 46 -15.161 -7.288 -1.725 339 HA ARG 46 HA ARG 46 -13.623 -5.447 -0.281 340 HE ARG 46 HE ARG 46 -15.690 -8.264 3.633 341 HB2 ARG 46 1HB ARG 46 -14.689 -6.248 1.709 342 HB3 ARG 46 2HB ARG 46 -15.851 -6.288 0.384 343 HG2 ARG 46 1HG ARG 46 -15.236 -8.753 0.054 344 HG3 ARG 46 2HG ARG 46 -14.395 -8.684 1.604 345 HD2 ARG 46 1HD ARG 46 -17.252 -7.720 1.486 346 HD3 ARG 46 2HD ARG 46 -16.937 -9.440 1.239 347 HH11 ARG 46 2HH2 ARG 46 -18.659 -9.712 2.320 348 HH12 ARG 46 1HH2 ARG 46 -19.047 -10.553 3.798 349 HH21 ARG 46 2HH1 ARG 46 -16.243 -9.335 5.572 350 HH22 ARG 46 1HH1 ARG 46 -17.780 -10.132 5.735 351 H LEU 47 H LEU 47 -12.909 -8.839 -0.910 352 HA LEU 47 HA LEU 47 -11.028 -9.232 1.202 353 HG LEU 47 HG LEU 47 -13.116 -11.118 0.134 354 HB2 LEU 47 1HB LEU 47 -11.390 -10.513 -1.516 355 HB3 LEU 47 2HB LEU 47 -10.123 -11.012 -0.405 356 HD11 LEU 47 1HD1 LEU 47 -12.839 -13.537 -0.038 357 HD12 LEU 47 2HD1 LEU 47 -12.259 -12.767 -1.518 358 HD13 LEU 47 3HD1 LEU 47 -11.090 -13.344 -0.298 359 HD21 LEU 47 3HD2 LEU 47 -12.054 -10.780 2.263 360 HD22 LEU 47 1HD2 LEU 47 -12.460 -12.497 2.141 361 HD23 LEU 47 2HD2 LEU 47 -10.783 -11.975 1.890 362 H ALA 48 H ALA 48 -10.644 -7.532 -1.908 363 HA ALA 48 HA ALA 48 -7.785 -7.719 -1.986 364 HB1 ALA 48 1HB ALA 48 -8.004 -5.934 -3.593 365 HB2 ALA 48 2HB ALA 48 -9.307 -7.082 -3.864 366 HB3 ALA 48 3HB ALA 48 -9.654 -5.552 -3.043 367 H GLY 49 H GLY 49 -10.061 -5.443 -0.435 368 HA2 GLY 49 1HA GLY 49 -8.058 -3.690 0.694 369 HA3 GLY 49 2HA GLY 49 -9.742 -3.836 1.221 370 H CYS 50 H CYS 50 -9.562 -6.752 1.727 371 HA CYS 50 HA CYS 50 -8.523 -6.731 4.396 372 HB2 CYS 50 1HB CYS 50 -9.077 -9.171 2.679 373 HB3 CYS 50 2HB CYS 50 -8.842 -9.104 4.399 374 H ALA 51 H ALA 51 -7.232 -7.976 1.296 375 HA ALA 51 HA ALA 51 -4.819 -9.025 2.238 376 HB1 ALA 51 1HB ALA 51 -4.366 -7.747 -0.319 377 HB2 ALA 51 2HB ALA 51 -4.560 -9.475 0.064 378 HB3 ALA 51 3HB ALA 51 -5.975 -8.517 -0.324 379 H ILE 52 H ILE 52 -5.532 -5.657 1.214 380 HA ILE 52 HA ILE 52 -2.983 -4.560 1.803 381 HB ILE 52 HB ILE 52 -5.759 -3.277 1.793 382 HG12 ILE 52 1HG1 ILE 52 -3.499 -3.258 -0.294 383 HG13 ILE 52 2HG1 ILE 52 -4.954 -4.247 -0.381 384 HG21 ILE 52 1HG2 ILE 52 -4.178 -1.898 3.139 385 HG22 ILE 52 2HG2 ILE 52 -2.993 -1.970 1.829 386 HG23 ILE 52 3HG2 ILE 52 -4.532 -1.104 1.632 387 HD11 ILE 52 3HD1 ILE 52 -5.254 -2.356 -1.839 388 HD12 ILE 52 1HD1 ILE 52 -6.362 -2.167 -0.467 389 HD13 ILE 52 2HD1 ILE 52 -4.866 -1.212 -0.563 390 H ASN 53 H ASN 53 -5.928 -4.558 3.994 391 HA ASN 53 HA ASN 53 -4.427 -3.341 6.066 392 HB2 ASN 53 1HB ASN 53 -6.168 -3.716 7.564 393 HB3 ASN 53 2HB ASN 53 -6.923 -3.441 5.993 394 HD21 ASN 53 2HD2 ASN 53 -8.810 -4.550 6.201 395 HD22 ASN 53 1HD2 ASN 53 -8.949 -6.269 6.644 396 H CYS 54 H CYS 54 -4.511 -6.727 5.147 397 HA CYS 54 HA CYS 54 -3.295 -7.669 7.598 398 HB2 CYS 54 1HB CYS 54 -4.604 -9.146 6.349 399 HB3 CYS 54 2HB CYS 54 -3.706 -8.863 4.848 400 H LEU 55 H LEU 55 -2.025 -6.637 4.389 401 HA LEU 55 HA LEU 55 0.729 -7.197 4.905 402 HG LEU 55 HG LEU 55 -0.701 -7.508 2.490 403 HB2 LEU 55 1HB LEU 55 -0.668 -5.069 3.275 404 HB3 LEU 55 2HB LEU 55 1.060 -5.203 3.306 405 HD11 LEU 55 1HD1 LEU 55 -0.288 -6.881 0.158 406 HD12 LEU 55 2HD1 LEU 55 -1.129 -5.581 0.998 407 HD13 LEU 55 3HD1 LEU 55 0.609 -5.430 0.687 408 HD21 LEU 55 3HD2 LEU 55 1.342 -8.283 1.335 409 HD22 LEU 55 1HD2 LEU 55 2.247 -6.915 2.047 410 HD23 LEU 55 2HD2 LEU 55 1.539 -8.180 3.083 411 H ALA 56 H ALA 56 -1.396 -4.624 5.968 412 HA ALA 56 HA ALA 56 0.638 -2.947 7.118 413 HB1 ALA 56 1HB ALA 56 -1.153 -1.608 7.934 414 HB2 ALA 56 2HB ALA 56 -1.599 -2.133 6.290 415 HB3 ALA 56 3HB ALA 56 -2.325 -2.909 7.709 416 H THR 57 H THR 57 -0.818 -5.890 8.229 417 HA THR 57 HA THR 57 0.160 -5.308 10.964 418 HB THR 57 HB THR 57 -2.239 -6.194 10.586 419 HG1 THR 57 1HG THR 57 -1.086 -5.990 12.567 420 HG21 THR 57 3HG2 THR 57 -2.302 -8.708 10.873 421 HG22 THR 57 1HG2 THR 57 -1.903 -8.143 9.251 422 HG23 THR 57 2HG2 THR 57 -0.632 -8.765 10.312 423 H LYS 58 H LYS 58 1.453 -6.220 8.029 424 HA LYS 58 HA LYS 58 3.394 -7.993 9.363 425 HB2 LYS 58 1HB LYS 58 1.885 -8.389 6.762 426 HB3 LYS 58 2HB LYS 58 3.508 -9.050 6.992 427 HG2 LYS 58 1HG LYS 58 2.799 -10.122 9.104 428 HG3 LYS 58 2HG LYS 58 1.124 -9.603 8.788 429 HD2 LYS 58 1HD LYS 58 1.099 -10.906 6.673 430 HD3 LYS 58 2HD LYS 58 2.791 -11.340 6.911 431 HE2 LYS 58 1HE LYS 58 1.497 -13.226 7.544 432 HE3 LYS 58 2HE LYS 58 2.207 -12.560 8.996 433 HZ1 LYS 58 3HZ LYS 58 -0.206 -13.235 9.080 434 HZ2 LYS 58 1HZ LYS 58 0.061 -11.762 9.662 435 HZ3 LYS 58 2HZ LYS 58 -0.603 -11.981 8.170 436 H LEU 59 H LEU 59 3.510 -5.230 9.381 437 HA LEU 59 HA LEU 59 5.003 -4.177 7.206 438 HG LEU 59 HG LEU 59 2.970 -3.125 9.624 439 HB2 LEU 59 1HB LEU 59 5.346 -3.358 10.072 440 HB3 LEU 59 2HB LEU 59 5.771 -2.425 8.620 441 HD11 LEU 59 1HD1 LEU 59 4.452 -0.480 9.432 442 HD12 LEU 59 2HD1 LEU 59 2.797 -0.710 10.029 443 HD13 LEU 59 3HD1 LEU 59 4.152 -1.404 10.922 444 HD21 LEU 59 3HD2 LEU 59 3.815 -1.515 7.183 445 HD22 LEU 59 1HD2 LEU 59 2.879 -3.013 7.183 446 HD23 LEU 59 2HD2 LEU 59 2.187 -1.519 7.859 447 H ASP 60 H ASP 60 5.907 -6.280 9.958 448 HA ASP 60 HA ASP 60 8.753 -5.837 9.720 449 HB2 ASP 60 1HB ASP 60 8.929 -7.573 11.332 450 HB3 ASP 60 2HB ASP 60 7.594 -6.543 11.815 451 H VAL 61 H VAL 61 6.394 -8.260 8.581 452 HA VAL 61 HA VAL 61 8.374 -9.892 7.351 453 HB VAL 61 HB VAL 61 5.483 -9.712 6.477 454 HG11 VAL 61 1HG1 VAL 61 5.786 -12.038 5.897 455 HG12 VAL 61 2HG1 VAL 61 7.163 -11.134 5.242 456 HG13 VAL 61 3HG1 VAL 61 7.357 -12.087 6.727 457 HG21 VAL 61 3HG2 VAL 61 5.021 -11.529 8.201 458 HG22 VAL 61 1HG2 VAL 61 6.581 -11.129 8.946 459 HG23 VAL 61 2HG2 VAL 61 5.278 -9.931 8.885 460 H VAL 62 H VAL 62 6.222 -7.277 6.091 461 HA VAL 62 HA VAL 62 7.169 -7.535 3.401 462 HB VAL 62 HB VAL 62 4.931 -6.605 4.521 463 HG11 VAL 62 1HG1 VAL 62 4.676 -4.295 4.730 464 HG12 VAL 62 2HG1 VAL 62 6.169 -4.673 5.617 465 HG13 VAL 62 3HG1 VAL 62 6.274 -3.956 3.999 466 HG21 VAL 62 3HG2 VAL 62 4.461 -5.198 2.541 467 HG22 VAL 62 1HG2 VAL 62 6.180 -5.330 2.105 468 HG23 VAL 62 2HG2 VAL 62 5.120 -6.798 2.173 469 H ASP 63 H ASP 63 8.204 -5.601 6.148 470 HA ASP 63 HA ASP 63 10.480 -4.606 4.546 471 HB2 ASP 63 1HB ASP 63 8.895 -2.800 4.476 472 HB3 ASP 63 2HB ASP 63 8.569 -2.920 6.163 473 HA PRO 64 HA PRO 64 11.582 -6.534 8.569 474 HB2 PRO 64 1HB PRO 64 13.639 -8.135 7.744 475 HB3 PRO 64 2HB PRO 64 11.913 -8.600 7.576 476 HG2 PRO 64 1HG PRO 64 13.723 -7.325 5.506 477 HG3 PRO 64 2HG PRO 64 12.666 -8.757 5.302 478 HD2 PRO 64 1HD PRO 64 11.855 -6.297 4.510 479 HD3 PRO 64 2HD PRO 64 10.705 -7.417 5.300 480 H ASP 65 H ASP 65 13.230 -4.451 6.394 481 HA ASP 65 HA ASP 65 15.653 -3.948 7.862 482 HB2 ASP 65 1HB ASP 65 13.890 -2.140 6.154 483 HB3 ASP 65 2HB ASP 65 15.375 -1.628 6.927 484 H GLY 66 H GLY 66 12.251 -2.771 8.057 485 HA2 GLY 66 1HA GLY 66 11.079 -2.483 10.026 486 HA3 GLY 66 2HA GLY 66 12.583 -2.306 10.950 487 H ASN 67 H ASN 67 11.289 -0.644 7.992 488 HA ASN 67 HA ASN 67 11.820 1.963 9.322 489 HB2 ASN 67 1HB ASN 67 11.643 1.177 6.397 490 HB3 ASN 67 2HB ASN 67 11.649 2.850 6.964 491 HD21 ASN 67 2HD2 ASN 67 13.608 -0.147 7.172 492 HD22 ASN 67 1HD2 ASN 67 15.149 0.656 7.344 493 H LEU 68 H LEU 68 9.489 0.056 7.366 494 HA LEU 68 HA LEU 68 7.406 2.043 7.412 495 HG LEU 68 HG LEU 68 6.432 1.409 5.256 496 HB2 LEU 68 1HB LEU 68 7.779 -0.458 6.176 497 HB3 LEU 68 2HB LEU 68 6.574 -0.828 7.324 498 HD11 LEU 68 1HD1 LEU 68 4.579 -0.068 4.349 499 HD12 LEU 68 2HD1 LEU 68 6.229 -0.701 4.197 500 HD13 LEU 68 3HD1 LEU 68 5.155 -1.335 5.451 501 HD21 LEU 68 3HD2 LEU 68 4.003 1.586 5.918 502 HD22 LEU 68 1HD2 LEU 68 4.369 0.623 7.354 503 HD23 LEU 68 2HD2 LEU 68 5.128 2.205 7.113 504 H HIS 69 H HIS 69 6.127 2.606 9.094 505 HA HIS 69 HA HIS 69 5.457 0.619 11.145 506 HD1 HIS 69 HD1 HIS 69 7.325 -0.348 13.070 507 HD2 HIS 69 HD2 HIS 69 9.137 3.109 11.455 508 HE1 HIS 69 HE1 HIS 69 9.856 -0.822 12.934 509 HE2 HIS 69 HE2 HIS 69 10.943 1.263 11.947 510 HB2 HIS 69 1HB HIS 69 6.559 3.312 12.002 511 HB3 HIS 69 2HB HIS 69 5.853 2.121 13.042 512 H HIS 70 H HIS 70 3.662 1.519 12.536 513 HA HIS 70 HA HIS 70 1.661 2.563 10.876 514 HD1 HIS 70 HD1 HIS 70 2.563 0.773 15.159 515 HD2 HIS 70 HD2 HIS 70 1.584 4.808 14.403 516 HE1 HIS 70 HE1 HIS 70 3.446 2.142 17.146 517 HE2 HIS 70 HE2 HIS 70 2.847 4.643 16.613 518 HB2 HIS 70 1HB HIS 70 0.288 2.608 12.872 519 HB3 HIS 70 2HB HIS 70 1.262 1.162 12.911 520 H GLY 71 H GLY 71 0.677 4.501 10.686 521 HA2 GLY 71 1HA GLY 71 0.671 6.716 10.247 522 HA3 GLY 71 2HA GLY 71 1.349 6.970 11.853 523 H ASN 72 H ASN 72 3.337 4.999 9.704 524 HA ASN 72 HA ASN 72 5.099 7.323 9.254 525 HB2 ASN 72 1HB ASN 72 5.324 6.127 11.575 526 HB3 ASN 72 2HB ASN 72 6.105 4.839 10.635 527 HD21 ASN 72 2HD2 ASN 72 8.229 5.125 9.893 528 HD22 ASN 72 1HD2 ASN 72 9.113 6.640 10.100 529 H ALA 73 H ALA 73 4.227 6.673 7.082 530 HA ALA 73 HA ALA 73 5.761 4.600 5.751 531 HB1 ALA 73 1HB ALA 73 3.695 5.345 4.749 532 HB2 ALA 73 2HB ALA 73 4.151 7.044 4.915 533 HB3 ALA 73 3HB ALA 73 4.967 6.031 3.717 534 H LYS 74 H LYS 74 6.847 7.479 7.288 535 HA LYS 74 HA LYS 74 8.032 8.782 5.095 536 HB2 LYS 74 1HB LYS 74 7.575 9.153 7.995 537 HB3 LYS 74 2HB LYS 74 9.160 9.679 7.518 538 HG2 LYS 74 1HG LYS 74 8.295 11.171 5.852 539 HG3 LYS 74 2HG LYS 74 6.659 10.491 6.009 540 HD2 LYS 74 1HD LYS 74 6.476 11.412 8.287 541 HD3 LYS 74 2HD LYS 74 8.127 12.097 8.140 542 HE2 LYS 74 1HE LYS 74 7.400 13.429 6.189 543 HE3 LYS 74 2HE LYS 74 5.785 12.719 6.273 544 HZ1 LYS 74 3HZ LYS 74 5.230 14.345 7.674 545 HZ2 LYS 74 1HZ LYS 74 6.375 13.856 8.754 546 HZ3 LYS 74 2HZ LYS 74 6.731 14.970 7.595 547 H ASP 75 H ASP 75 9.505 6.992 7.864 548 HA ASP 75 HA ASP 75 12.141 6.942 6.958 549 HB2 ASP 75 1HB ASP 75 10.646 4.677 8.324 550 HB3 ASP 75 2HB ASP 75 12.394 4.841 8.224 551 H PHE 76 H PHE 76 9.324 5.011 5.920 552 HA PHE 76 HA PHE 76 10.972 3.014 4.528 553 HD1 PHE 76 HD1 PHE 76 7.647 3.223 1.961 554 HD2 PHE 76 HD2 PHE 76 9.608 0.293 4.466 555 HE1 PHE 76 HE1 PHE 76 7.320 1.519 0.235 556 HE2 PHE 76 HE2 PHE 76 9.221 -1.422 2.722 557 HZ PHE 76 HZ PHE 76 8.072 -0.820 0.592 558 HB2 PHE 76 1HB PHE 76 8.803 2.410 5.409 559 HB3 PHE 76 2HB PHE 76 8.013 3.612 4.418 560 H ALA 77 H ALA 77 9.113 5.946 3.630 561 HA ALA 77 HA ALA 77 9.521 5.804 0.829 562 HB1 ALA 77 1HB ALA 77 8.660 8.067 0.850 563 HB2 ALA 77 2HB ALA 77 7.825 7.199 2.119 564 HB3 ALA 77 3HB ALA 77 9.147 8.300 2.549 565 H MET 78 H MET 78 11.376 7.287 3.489 566 HA MET 78 HA MET 78 13.492 8.472 1.999 567 HB2 MET 78 1HB MET 78 13.468 7.281 4.808 568 HB3 MET 78 2HB MET 78 14.745 8.279 4.167 569 HG2 MET 78 1HG MET 78 12.138 9.569 3.829 570 HG3 MET 78 2HG MET 78 12.421 9.084 5.486 571 HE1 MET 78 3HE MET 78 12.981 12.871 5.645 572 HE2 MET 78 1HE MET 78 11.843 12.002 4.581 573 HE3 MET 78 2HE MET 78 12.095 11.454 6.241 574 H LYS 79 H LYS 79 12.963 5.062 2.935 575 HA LYS 79 HA LYS 79 15.695 4.374 2.125 576 HB2 LYS 79 1HB LYS 79 15.360 2.190 2.674 577 HB3 LYS 79 2HB LYS 79 14.774 3.164 4.039 578 HG2 LYS 79 1HG LYS 79 12.524 2.619 3.203 579 HG3 LYS 79 2HG LYS 79 13.272 1.637 1.913 580 HD2 LYS 79 1HD LYS 79 14.225 0.832 4.554 581 HD3 LYS 79 2HD LYS 79 12.473 0.828 4.482 582 HE2 LYS 79 1HE LYS 79 13.127 -1.335 3.970 583 HE3 LYS 79 2HE LYS 79 12.547 -0.625 2.461 584 HZ1 LYS 79 3HZ LYS 79 15.351 -1.014 3.323 585 HZ2 LYS 79 1HZ LYS 79 14.600 -1.913 2.238 586 HZ3 LYS 79 2HZ LYS 79 14.902 -0.343 1.846 587 H HIS 80 H HIS 80 13.294 5.356 0.288 588 HA HIS 80 HA HIS 80 13.800 3.316 -1.837 589 HD1 HIS 80 HD1 HIS 80 11.666 1.838 -3.452 590 HD2 HIS 80 HD2 HIS 80 11.663 2.055 0.759 591 HE1 HIS 80 HE1 HIS 80 11.324 -0.584 -2.618 592 HE2 HIS 80 HE2 HIS 80 11.270 -0.433 -0.025 593 HB2 HIS 80 1HB HIS 80 11.250 4.392 -0.677 594 HB3 HIS 80 2HB HIS 80 11.301 4.240 -2.427 595 H GLY 81 H GLY 81 12.479 6.614 -1.417 596 HA2 GLY 81 1HA GLY 81 14.042 7.819 -3.518 597 HA3 GLY 81 2HA GLY 81 12.742 6.896 -4.268 598 H ALA 82 H ALA 82 12.672 8.667 -1.164 599 HA ALA 82 HA ALA 82 11.056 10.818 -2.326 600 HB1 ALA 82 1HB ALA 82 9.400 9.203 -1.349 601 HB2 ALA 82 2HB ALA 82 10.342 9.231 0.167 602 HB3 ALA 82 3HB ALA 82 9.500 10.676 -0.358 603 H ASP 83 H ASP 83 10.991 12.614 -0.656 604 HA ASP 83 HA ASP 83 13.064 12.365 1.450 605 HB2 ASP 83 1HB ASP 83 12.404 15.110 0.473 606 HB3 ASP 83 2HB ASP 83 13.811 14.517 1.284 607 H GLU 84 H GLU 84 12.350 14.277 3.127 608 HA GLU 84 HA GLU 84 9.862 13.628 4.291 609 HB2 GLU 84 1HB GLU 84 12.097 15.273 4.853 610 HB3 GLU 84 2HB GLU 84 10.774 16.420 4.637 611 HG2 GLU 84 1HG GLU 84 9.424 14.872 6.225 612 HG3 GLU 84 2HG GLU 84 10.926 14.003 6.510 613 H THR 85 H THR 85 10.459 15.882 1.689 614 HA THR 85 HA THR 85 7.960 17.290 1.964 615 HB THR 85 HB THR 85 9.863 16.880 -0.343 616 HG1 THR 85 1HG THR 85 9.680 18.962 1.547 617 HG21 THR 85 3HG2 THR 85 7.619 17.621 -1.130 618 HG22 THR 85 1HG2 THR 85 7.675 18.973 0.023 619 HG23 THR 85 2HG2 THR 85 8.824 18.886 -1.324 620 H MET 86 H MET 86 9.037 14.815 -0.484 621 HA MET 86 HA MET 86 6.483 14.205 -1.551 622 HB2 MET 86 1HB MET 86 9.067 12.651 -1.198 623 HB3 MET 86 2HB MET 86 7.680 11.911 -1.988 624 HG2 MET 86 1HG MET 86 7.793 13.348 -3.809 625 HG3 MET 86 2HG MET 86 8.638 14.581 -2.915 626 HE1 MET 86 3HE MET 86 9.085 10.801 -3.944 627 HE2 MET 86 1HE MET 86 8.905 11.758 -5.450 628 HE3 MET 86 2HE MET 86 10.439 10.964 -5.084 629 H ALA 87 H ALA 87 8.280 12.657 1.162 630 HA ALA 87 HA ALA 87 6.357 10.636 1.655 631 HB1 ALA 87 1HB ALA 87 7.512 10.370 3.760 632 HB2 ALA 87 2HB ALA 87 8.705 10.670 2.493 633 HB3 ALA 87 3HB ALA 87 8.266 11.977 3.619 634 H GLN 88 H GLN 88 6.631 14.016 3.087 635 HA GLN 88 HA GLN 88 4.298 13.605 4.733 636 HB2 GLN 88 1HB GLN 88 5.952 15.208 5.372 637 HB3 GLN 88 2HB GLN 88 5.942 15.975 3.816 638 HG2 GLN 88 1HG GLN 88 4.819 17.324 5.488 639 HG3 GLN 88 2HG GLN 88 3.665 16.844 4.247 640 HE21 GLN 88 2HE2 GLN 88 1.682 16.142 5.115 641 HE22 GLN 88 1HE2 GLN 88 1.470 15.491 6.709 642 H GLN 89 H GLN 89 4.796 14.716 1.335 643 HA GLN 89 HA GLN 89 2.144 15.688 0.924 644 HB2 GLN 89 1HB GLN 89 3.927 14.286 -1.101 645 HB3 GLN 89 2HB GLN 89 2.452 15.151 -1.432 646 HG2 GLN 89 1HG GLN 89 4.020 17.003 0.050 647 HG3 GLN 89 2HG GLN 89 5.135 16.154 -1.045 648 HE21 GLN 89 2HE2 GLN 89 4.882 16.325 -3.301 649 HE22 GLN 89 1HE2 GLN 89 3.637 17.358 -4.028 650 H LEU 90 H LEU 90 3.529 12.370 0.586 651 HA LEU 90 HA LEU 90 1.106 11.146 -0.268 652 HG LEU 90 HG LEU 90 4.406 10.721 -0.941 653 HB2 LEU 90 1HB LEU 90 3.548 9.974 1.120 654 HB3 LEU 90 2HB LEU 90 2.276 9.052 0.375 655 HD11 LEU 90 1HD1 LEU 90 4.867 8.389 -0.503 656 HD12 LEU 90 2HD1 LEU 90 3.410 7.910 -1.403 657 HD13 LEU 90 3HD1 LEU 90 4.765 8.726 -2.237 658 HD21 LEU 90 3HD2 LEU 90 3.310 10.377 -3.152 659 HD22 LEU 90 1HD2 LEU 90 1.818 9.920 -2.288 660 HD23 LEU 90 2HD2 LEU 90 2.516 11.560 -2.115 661 H VAL 91 H VAL 91 2.550 11.444 3.043 662 HA VAL 91 HA VAL 91 0.480 10.060 4.300 663 HB VAL 91 HB VAL 91 2.830 11.295 5.098 664 HG11 VAL 91 1HG1 VAL 91 2.324 12.704 7.012 665 HG12 VAL 91 2HG1 VAL 91 1.689 13.427 5.526 666 HG13 VAL 91 3HG1 VAL 91 0.588 12.617 6.644 667 HG21 VAL 91 3HG2 VAL 91 2.067 9.227 6.010 668 HG22 VAL 91 1HG2 VAL 91 2.312 10.342 7.345 669 HG23 VAL 91 2HG2 VAL 91 0.661 9.991 6.772 670 H ASP 92 H ASP 92 0.657 13.432 3.172 671 HA ASP 92 HA ASP 92 -1.749 14.291 4.446 672 HB2 ASP 92 1HB ASP 92 0.277 15.643 3.438 673 HB3 ASP 92 2HB ASP 92 -0.618 15.525 1.917 674 H ILE 93 H ILE 93 -1.117 12.581 1.422 675 HA ILE 93 HA ILE 93 -3.751 12.988 0.321 676 HB ILE 93 HB ILE 93 -2.133 10.487 -0.151 677 HG12 ILE 93 1HG1 ILE 93 -1.854 13.111 -1.656 678 HG13 ILE 93 2HG1 ILE 93 -0.657 12.327 -0.630 679 HG21 ILE 93 1HG2 ILE 93 -4.517 10.567 -1.007 680 HG22 ILE 93 2HG2 ILE 93 -4.048 11.983 -1.986 681 HG23 ILE 93 3HG2 ILE 93 -3.330 10.400 -2.304 682 HD11 ILE 93 3HD1 ILE 93 -0.878 10.285 -2.220 683 HD12 ILE 93 1HD1 ILE 93 -1.539 11.487 -3.362 684 HD13 ILE 93 2HD1 ILE 93 0.090 11.685 -2.661 685 H ILE 94 H ILE 94 -2.282 10.459 2.495 686 HA ILE 94 HA ILE 94 -4.724 8.904 2.414 687 HB ILE 94 HB ILE 94 -2.366 8.021 2.572 688 HG12 ILE 94 1HG1 ILE 94 -3.330 6.279 4.410 689 HG13 ILE 94 2HG1 ILE 94 -4.843 7.071 3.951 690 HG21 ILE 94 1HG2 ILE 94 -1.472 9.300 4.397 691 HG22 ILE 94 2HG2 ILE 94 -2.646 8.599 5.529 692 HG23 ILE 94 3HG2 ILE 94 -1.413 7.590 4.759 693 HD11 ILE 94 3HD1 ILE 94 -4.424 6.463 1.614 694 HD12 ILE 94 1HD1 ILE 94 -2.805 5.831 2.042 695 HD13 ILE 94 2HD1 ILE 94 -4.244 5.037 2.683 696 H HIS 95 H HIS 95 -3.263 11.228 4.690 697 HA HIS 95 HA HIS 95 -5.303 10.985 6.709 698 HD1 HIS 95 HD1 HIS 95 -1.538 13.729 7.779 699 HD2 HIS 95 HD2 HIS 95 -3.395 9.964 7.444 700 HE1 HIS 95 HE1 HIS 95 -0.047 12.027 9.060 701 HE2 HIS 95 HE2 HIS 95 -1.265 9.694 8.821 702 HB2 HIS 95 1HB HIS 95 -3.565 13.338 5.872 703 HB3 HIS 95 2HB HIS 95 -4.578 13.303 7.313 704 H GLY 96 H GLY 96 -5.330 12.312 3.546 705 HA2 GLY 96 1HA GLY 96 -7.701 14.036 4.003 706 HA3 GLY 96 2HA GLY 96 -6.841 13.770 2.484 707 H CYS 97 H CYS 97 -6.801 11.051 2.203 708 HA CYS 97 HA CYS 97 -9.420 10.510 1.191 709 HB2 CYS 97 1HB CYS 97 -6.920 8.844 1.583 710 HB3 CYS 97 2HB CYS 97 -8.412 8.158 0.958 711 H GLU 98 H GLU 98 -7.721 9.662 4.218 712 HA GLU 98 HA GLU 98 -9.517 7.756 5.163 713 HB2 GLU 98 1HB GLU 98 -7.426 9.542 6.384 714 HB3 GLU 98 2HB GLU 98 -8.679 8.945 7.448 715 HG2 GLU 98 1HG GLU 98 -7.711 6.774 5.741 716 HG3 GLU 98 2HG GLU 98 -6.372 7.661 6.437 717 H LYS 99 H LYS 99 -9.894 11.221 4.791 718 HA LYS 99 HA LYS 99 -12.315 11.185 6.511 719 HB2 LYS 99 1HB LYS 99 -10.259 13.319 5.864 720 HB3 LYS 99 2HB LYS 99 -11.906 13.785 6.262 721 HG2 LYS 99 1HG LYS 99 -10.790 13.874 8.303 722 HG3 LYS 99 2HG LYS 99 -11.757 12.424 8.366 723 HD2 LYS 99 1HD LYS 99 -9.071 11.756 7.418 724 HD3 LYS 99 2HD LYS 99 -8.968 12.756 8.862 725 HE2 LYS 99 1HE LYS 99 -10.714 11.151 9.900 726 HE3 LYS 99 2HE LYS 99 -10.389 10.080 8.534 727 HZ1 LYS 99 3HZ LYS 99 -7.990 10.150 9.280 728 HZ2 LYS 99 1HZ LYS 99 -8.485 10.975 10.605 729 HZ3 LYS 99 2HZ LYS 99 -9.031 9.432 10.318 730 H SER 100 H SER 100 -11.236 11.444 3.208 731 HA SER 100 HA SER 100 -13.790 12.489 2.277 732 HG SER 100 HG SER 100 -13.630 11.848 -0.522 733 HB2 SER 100 1HB SER 100 -11.421 12.560 1.121 734 HB3 SER 100 2HB SER 100 -11.861 10.944 0.529 735 H ALA 101 H ALA 101 -12.415 9.337 3.020 736 HA ALA 101 HA ALA 101 -13.900 7.697 1.525 737 HB1 ALA 101 1HB ALA 101 -13.186 7.201 4.447 738 HB2 ALA 101 2HB ALA 101 -13.502 5.948 3.228 739 HB3 ALA 101 3HB ALA 101 -12.075 6.982 3.054 740 HA PRO 102 HA PRO 102 -18.046 8.169 2.671 741 HB2 PRO 102 1HB PRO 102 -19.155 5.711 2.020 742 HB3 PRO 102 2HB PRO 102 -18.632 6.933 0.823 743 HG2 PRO 102 1HG PRO 102 -17.144 4.490 1.797 744 HG3 PRO 102 2HG PRO 102 -17.311 5.092 0.117 745 HD2 PRO 102 1HD PRO 102 -15.103 5.562 1.656 746 HD3 PRO 102 2HD PRO 102 -15.672 6.781 0.481 747 HA PRO 103 HA PRO 103 -18.876 6.220 6.648 748 HB2 PRO 103 1HB PRO 103 -21.631 6.099 6.648 749 HB3 PRO 103 2HB PRO 103 -20.658 7.544 7.050 750 HG2 PRO 103 1HG PRO 103 -22.087 6.904 4.485 751 HG3 PRO 103 2HG PRO 103 -21.878 8.485 5.284 752 HD2 PRO 103 1HD PRO 103 -20.367 7.591 3.135 753 HD3 PRO 103 2HD PRO 103 -19.785 8.792 4.314 754 H ASN 104 H ASN 104 -17.859 4.405 5.947 755 HA ASN 104 HA ASN 104 -19.657 2.064 5.648 756 HB2 ASN 104 1HB ASN 104 -17.679 0.759 4.798 757 HB3 ASN 104 2HB ASN 104 -18.419 1.897 3.673 758 HD21 ASN 104 2HD2 ASN 104 -16.465 1.754 2.314 759 HD22 ASN 104 1HD2 ASN 104 -15.076 2.667 2.822 760 H ASP 105 H ASP 105 -16.506 3.135 6.778 761 HA ASP 105 HA ASP 105 -15.053 2.434 8.171 762 HB2 ASP 105 1HB ASP 105 -17.131 2.455 10.342 763 HB3 ASP 105 2HB ASP 105 -15.390 2.344 10.527 764 H ASP 106 H ASP 106 -14.479 0.495 7.330 765 HA ASP 106 HA ASP 106 -15.027 -1.816 8.993 766 HB2 ASP 106 1HB ASP 106 -16.765 -1.515 6.784 767 HB3 ASP 106 2HB ASP 106 -15.474 -2.446 6.118 768 H LYS 107 H LYS 107 -13.260 -3.485 8.564 769 HA LYS 107 HA LYS 107 -10.885 -2.012 8.289 770 HB2 LYS 107 1HB LYS 107 -11.820 -4.618 9.301 771 HB3 LYS 107 2HB LYS 107 -10.353 -4.850 8.368 772 HG2 LYS 107 1HG LYS 107 -10.604 -2.792 10.588 773 HG3 LYS 107 2HG LYS 107 -10.059 -4.452 10.841 774 HD2 LYS 107 1HD LYS 107 -8.139 -4.115 9.332 775 HD3 LYS 107 2HD LYS 107 -8.687 -2.459 8.980 776 HE2 LYS 107 1HE LYS 107 -8.601 -2.083 11.551 777 HE3 LYS 107 2HE LYS 107 -7.672 -3.587 11.615 778 HZ1 LYS 107 3HZ LYS 107 -6.932 -1.066 10.263 779 HZ2 LYS 107 1HZ LYS 107 -6.205 -1.753 11.536 780 HZ3 LYS 107 2HZ LYS 107 -6.045 -2.446 10.069 781 H CYS 108 H CYS 108 -12.753 -4.093 6.149 782 HA CYS 108 HA CYS 108 -10.496 -3.992 4.337 783 HB2 CYS 108 1HB CYS 108 -12.970 -5.646 3.883 784 HB3 CYS 108 2HB CYS 108 -11.436 -5.693 3.043 785 H MET 109 H MET 109 -13.721 -2.697 4.793 786 HA MET 109 HA MET 109 -14.088 -2.035 1.984 787 HB2 MET 109 1HB MET 109 -15.554 -0.959 4.450 788 HB3 MET 109 2HB MET 109 -15.992 -0.660 2.778 789 HG2 MET 109 1HG MET 109 -15.811 -3.504 3.792 790 HG3 MET 109 2HG MET 109 -17.193 -2.520 4.185 791 HE1 MET 109 3HE MET 109 -15.472 -2.379 0.431 792 HE2 MET 109 1HE MET 109 -15.049 -3.879 1.286 793 HE3 MET 109 2HE MET 109 -16.171 -3.919 -0.094 794 H LYS 110 H LYS 110 -13.438 -0.138 4.924 795 HA LYS 110 HA LYS 110 -13.332 2.469 3.828 796 HB2 LYS 110 1HB LYS 110 -13.545 1.616 6.181 797 HB3 LYS 110 2HB LYS 110 -11.806 1.239 6.147 798 HG2 LYS 110 1HG LYS 110 -11.328 3.679 5.893 799 HG3 LYS 110 2HG LYS 110 -13.070 3.990 5.960 800 HD2 LYS 110 1HD LYS 110 -13.066 2.629 8.160 801 HD3 LYS 110 2HD LYS 110 -11.335 2.685 8.098 802 HE2 LYS 110 1HE LYS 110 -13.009 5.227 8.003 803 HE3 LYS 110 2HE LYS 110 -12.767 4.389 9.523 804 HZ1 LYS 110 3HZ LYS 110 -10.616 5.443 7.772 805 HZ2 LYS 110 1HZ LYS 110 -11.049 6.082 9.201 806 HZ3 LYS 110 2HZ LYS 110 -10.323 4.611 9.148 807 H THR 111 H THR 111 -10.989 -0.081 4.130 808 HA THR 111 HA THR 111 -8.694 1.406 3.233 809 HB THR 111 HB THR 111 -9.272 -1.576 3.463 810 HG1 THR 111 1HG THR 111 -7.825 0.150 5.191 811 HG21 THR 111 3HG2 THR 111 -6.576 -0.175 3.185 812 HG22 THR 111 1HG2 THR 111 -6.822 -1.875 3.661 813 HG23 THR 111 2HG2 THR 111 -7.299 -1.328 2.046 814 H ILE 112 H ILE 112 -11.201 -0.431 1.399 815 HA ILE 112 HA ILE 112 -9.648 -0.432 -1.046 816 HB ILE 112 HB ILE 112 -12.568 -0.890 -0.384 817 HG12 ILE 112 1HG1 ILE 112 -10.410 -2.519 -1.805 818 HG13 ILE 112 2HG1 ILE 112 -10.782 -2.600 -0.087 819 HG21 ILE 112 1HG2 ILE 112 -13.030 -1.322 -2.814 820 HG22 ILE 112 2HG2 ILE 112 -12.741 0.371 -2.473 821 HG23 ILE 112 3HG2 ILE 112 -11.453 -0.601 -3.206 822 HD11 ILE 112 3HD1 ILE 112 -12.559 -3.487 -2.372 823 HD12 ILE 112 1HD1 ILE 112 -11.822 -4.443 -1.074 824 HD13 ILE 112 2HD1 ILE 112 -13.128 -3.299 -0.689 825 H ASP 113 H ASP 113 -12.252 1.693 0.259 826 HA ASP 113 HA ASP 113 -12.269 3.525 -1.869 827 HB2 ASP 113 1HB ASP 113 -13.996 3.564 -0.115 828 HB3 ASP 113 2HB ASP 113 -12.799 4.123 1.062 829 H VAL 114 H VAL 114 -10.522 3.842 1.285 830 HA VAL 114 HA VAL 114 -9.109 6.112 0.654 831 HB VAL 114 HB VAL 114 -8.483 3.767 2.473 832 HG11 VAL 114 1HG1 VAL 114 -7.027 6.437 2.402 833 HG12 VAL 114 2HG1 VAL 114 -6.888 5.212 3.682 834 HG13 VAL 114 3HG1 VAL 114 -6.349 4.832 2.042 835 HG21 VAL 114 3HG2 VAL 114 -9.265 5.281 4.241 836 HG22 VAL 114 1HG2 VAL 114 -9.443 6.601 3.067 837 HG23 VAL 114 2HG2 VAL 114 -10.505 5.200 2.983 838 H ALA 115 H ALA 115 -8.161 2.723 -0.205 839 HA ALA 115 HA ALA 115 -5.610 3.468 -1.272 840 HB1 ALA 115 1HB ALA 115 -5.675 1.252 -2.354 841 HB2 ALA 115 2HB ALA 115 -6.185 1.146 -0.657 842 HB3 ALA 115 3HB ALA 115 -7.400 1.106 -1.944 843 H MET 116 H MET 116 -8.853 3.085 -2.879 844 HA MET 116 HA MET 116 -7.651 3.664 -5.487 845 HB2 MET 116 1HB MET 116 -9.888 3.816 -6.381 846 HB3 MET 116 2HB MET 116 -9.602 2.324 -5.507 847 HG2 MET 116 1HG MET 116 -10.962 3.080 -3.661 848 HG3 MET 116 2HG MET 116 -11.112 4.681 -4.302 849 HE1 MET 116 3HE MET 116 -11.752 0.898 -5.047 850 HE2 MET 116 1HE MET 116 -13.116 0.937 -6.198 851 HE3 MET 116 2HE MET 116 -11.484 1.404 -6.750 852 H CYS 117 H CYS 117 -9.368 5.579 -3.017 853 HA CYS 117 HA CYS 117 -9.456 8.066 -4.249 854 HB2 CYS 117 1HB CYS 117 -10.501 7.656 -2.112 855 HB3 CYS 117 2HB CYS 117 -8.967 7.252 -1.359 856 H PHE 118 H PHE 118 -6.781 6.586 -2.301 857 HA PHE 118 HA PHE 118 -4.875 8.530 -2.611 858 HD1 PHE 118 HD1 PHE 118 -3.422 7.842 -0.070 859 HD2 PHE 118 HD2 PHE 118 -1.810 6.210 -3.759 860 HE1 PHE 118 HE1 PHE 118 -1.163 8.509 0.604 861 HE2 PHE 118 HE2 PHE 118 0.461 6.856 -2.989 862 HZ PHE 118 HZ PHE 118 0.783 8.086 -0.900 863 HB2 PHE 118 1HB PHE 118 -4.707 6.311 -1.326 864 HB3 PHE 118 2HB PHE 118 -4.154 5.591 -2.839 865 H LYS 119 H LYS 119 -5.305 5.748 -4.947 866 HA LYS 119 HA LYS 119 -3.427 6.897 -6.771 867 HB2 LYS 119 1HB LYS 119 -4.333 4.496 -6.931 868 HB3 LYS 119 2HB LYS 119 -5.743 5.191 -7.746 869 HG2 LYS 119 1HG LYS 119 -4.067 6.362 -9.326 870 HG3 LYS 119 2HG LYS 119 -2.807 5.382 -8.598 871 HD2 LYS 119 1HD LYS 119 -5.252 4.299 -10.079 872 HD3 LYS 119 2HD LYS 119 -3.685 4.668 -10.820 873 HE2 LYS 119 1HE LYS 119 -2.664 3.063 -9.051 874 HE3 LYS 119 2HE LYS 119 -4.327 2.517 -8.799 875 HZ1 LYS 119 3HZ LYS 119 -4.327 2.190 -11.309 876 HZ2 LYS 119 1HZ LYS 119 -2.683 2.321 -11.240 877 HZ3 LYS 119 2HZ LYS 119 -3.430 1.131 -10.412 878 H LYS 120 H LYS 120 -6.996 7.539 -6.556 879 HA LYS 120 HA LYS 120 -6.996 9.093 -8.972 880 HB2 LYS 120 1HB LYS 120 -8.811 9.090 -6.538 881 HB3 LYS 120 2HB LYS 120 -8.890 10.381 -7.717 882 HG2 LYS 120 1HG LYS 120 -10.507 9.029 -8.502 883 HG3 LYS 120 2HG LYS 120 -9.180 8.565 -9.540 884 HD2 LYS 120 1HD LYS 120 -9.877 7.032 -7.013 885 HD3 LYS 120 2HD LYS 120 -10.817 6.793 -8.466 886 HE2 LYS 120 1HE LYS 120 -7.802 6.364 -8.397 887 HE3 LYS 120 2HE LYS 120 -8.986 5.105 -8.025 888 HZ1 LYS 120 3HZ LYS 120 -9.944 5.528 -10.276 889 HZ2 LYS 120 1HZ LYS 120 -8.686 6.505 -10.598 890 HZ3 LYS 120 2HZ LYS 120 -8.403 4.928 -10.330 891 H GLU 121 H GLU 121 -5.983 9.990 -5.607 892 HA GLU 121 HA GLU 121 -5.756 12.820 -6.297 893 HB2 GLU 121 1HB GLU 121 -4.998 11.120 -3.907 894 HB3 GLU 121 2HB GLU 121 -4.716 12.860 -3.989 895 HG2 GLU 121 1HG GLU 121 -7.450 11.515 -4.105 896 HG3 GLU 121 2HG GLU 121 -6.715 12.246 -2.680 897 H ILE 122 H ILE 122 -3.762 9.983 -6.732 898 HA ILE 122 HA ILE 122 -1.270 11.361 -6.624 899 HB ILE 122 HB ILE 122 -2.178 8.804 -7.958 900 HG12 ILE 122 1HG1 ILE 122 -0.411 9.587 -5.615 901 HG13 ILE 122 2HG1 ILE 122 -1.980 9.040 -5.448 902 HG21 ILE 122 1HG2 ILE 122 0.073 8.213 -8.455 903 HG22 ILE 122 2HG2 ILE 122 -0.347 9.673 -9.358 904 HG23 ILE 122 3HG2 ILE 122 0.655 9.807 -7.883 905 HD11 ILE 122 3HD1 ILE 122 -1.497 6.798 -5.961 906 HD12 ILE 122 1HD1 ILE 122 0.109 7.223 -6.626 907 HD13 ILE 122 2HD1 ILE 122 -0.195 7.447 -4.923 908 H HIS 123 H HIS 123 -3.906 11.509 -8.919 909 HA HIS 123 HA HIS 123 -2.416 12.756 -11.020 910 HD1 HIS 123 HD1 HIS 123 -4.446 11.718 -13.834 911 HD2 HIS 123 HD2 HIS 123 -4.455 9.795 -10.083 912 HE1 HIS 123 HE1 HIS 123 -4.105 9.194 -14.271 913 HE2 HIS 123 HE2 HIS 123 -4.025 8.047 -11.962 914 HB2 HIS 123 1HB HIS 123 -5.396 12.626 -10.401 915 HB3 HIS 123 2HB HIS 123 -4.696 13.314 -11.836 916 H LYS 124 H LYS 124 -3.009 14.028 -7.853 917 HA LYS 124 HA LYS 124 -2.757 16.756 -9.037 918 HB2 LYS 124 1HB LYS 124 -3.783 17.703 -7.059 919 HB3 LYS 124 2HB LYS 124 -4.857 16.674 -7.989 920 HG2 LYS 124 1HG LYS 124 -5.391 16.097 -5.805 921 HG3 LYS 124 2HG LYS 124 -4.357 14.825 -6.312 922 HD2 LYS 124 1HD LYS 124 -3.596 15.245 -4.172 923 HD3 LYS 124 2HD LYS 124 -2.461 16.228 -5.094 924 HE2 LYS 124 1HE LYS 124 -4.141 18.177 -4.779 925 HE3 LYS 124 2HE LYS 124 -5.006 17.092 -3.675 926 HZ1 LYS 124 3HZ LYS 124 -2.321 18.244 -3.311 927 HZ2 LYS 124 1HZ LYS 124 -3.634 18.353 -2.344 928 HZ3 LYS 124 2HZ LYS 124 -2.809 16.942 -2.448 929 H LEU 125 H LEU 125 -0.962 14.324 -7.615 930 HA LEU 125 HA LEU 125 0.801 16.059 -6.064 931 HG LEU 125 HG LEU 125 -0.274 13.430 -5.317 932 HB2 LEU 125 1HB LEU 125 1.276 13.384 -7.462 933 HB3 LEU 125 2HB LEU 125 2.419 14.182 -6.440 934 HD11 LEU 125 1HD1 LEU 125 2.315 11.832 -5.400 935 HD12 LEU 125 2HD1 LEU 125 0.781 11.342 -4.621 936 HD13 LEU 125 3HD1 LEU 125 0.851 11.508 -6.363 937 HD21 LEU 125 3HD2 LEU 125 1.194 15.100 -4.067 938 HD22 LEU 125 1HD2 LEU 125 0.893 13.617 -3.174 939 HD23 LEU 125 2HD2 LEU 125 2.447 13.849 -3.974 940 H ASN 126 H ASN 126 0.587 14.863 -9.375 941 HA ASN 126 HA ASN 126 1.222 15.758 -11.334 942 HB2 ASN 126 1HB ASN 126 3.258 17.646 -10.179 943 HB3 ASN 126 2HB ASN 126 2.412 17.750 -11.709 944 HD21 ASN 126 2HD2 ASN 126 -0.364 17.351 -10.605 945 HD22 ASN 126 1HD2 ASN 126 -0.614 18.732 -9.572 946 H TRP 127 H TRP 127 3.436 14.940 -8.939 947 HA TRP 127 HA TRP 127 5.382 13.739 -10.852 948 HD1 TRP 127 HD1 TRP 127 4.512 15.564 -7.022 949 HE1 TRP 127 HE1 TRP 127 4.313 14.791 -4.622 950 HE3 TRP 127 HE3 TRP 127 6.891 11.083 -7.453 951 HZ2 TRP 127 HZ2 TRP 127 4.981 12.462 -3.066 952 HZ3 TRP 127 HZ3 TRP 127 7.193 9.632 -5.456 953 HH2 TRP 127 HH2 TRP 127 6.219 10.264 -3.268 954 HB2 TRP 127 1HB TRP 127 6.739 13.117 -8.976 955 HB3 TRP 127 2HB TRP 127 6.349 14.807 -8.927 956 H VAL 128 H VAL 128 5.950 11.303 -9.399 957 HA VAL 128 HA VAL 128 3.439 9.817 -9.437 958 HB VAL 128 HB VAL 128 4.371 9.956 -11.742 959 HG11 VAL 128 1HG1 VAL 128 6.702 9.480 -11.144 960 HG12 VAL 128 2HG1 VAL 128 6.234 7.808 -10.792 961 HG13 VAL 128 3HG1 VAL 128 6.064 8.443 -12.448 962 HG21 VAL 128 3HG2 VAL 128 2.584 8.385 -11.076 963 HG22 VAL 128 1HG2 VAL 128 3.674 7.645 -12.260 964 HG23 VAL 128 2HG2 VAL 128 3.812 7.212 -10.545 965 HA PRO 129 HA PRO 129 6.058 8.038 -6.210 966 HB2 PRO 129 1HB PRO 129 4.088 6.760 -4.768 967 HB3 PRO 129 2HB PRO 129 4.479 8.500 -4.619 968 HG2 PRO 129 1HG PRO 129 2.263 7.153 -6.093 969 HG3 PRO 129 2HG PRO 129 2.212 8.701 -5.206 970 HD2 PRO 129 1HD PRO 129 2.457 8.410 -7.985 971 HD3 PRO 129 2HD PRO 129 2.986 9.866 -7.079 972 H ASN 130 H ASN 130 7.129 6.197 -6.247 973 HA ASN 130 HA ASN 130 6.822 3.984 -7.898 974 HB2 ASN 130 1HB ASN 130 7.843 4.005 -4.996 975 HB3 ASN 130 2HB ASN 130 8.064 2.679 -6.143 976 HD21 ASN 130 2HD2 ASN 130 10.078 4.777 -4.806 977 HD22 ASN 130 1HD2 ASN 130 11.052 5.175 -6.177 978 H MET 131 H MET 131 5.782 1.938 -7.670 979 HA MET 131 HA MET 131 3.390 1.524 -6.183 980 HB2 MET 131 1HB MET 131 3.654 -0.753 -6.833 981 HB3 MET 131 2HB MET 131 4.263 0.218 -8.132 982 HG2 MET 131 1HG MET 131 6.178 -0.903 -8.100 983 HG3 MET 131 2HG MET 131 6.554 -0.260 -6.536 984 HE1 MET 131 3HE MET 131 5.521 -1.560 -4.210 985 HE2 MET 131 1HE MET 131 3.955 -1.751 -5.009 986 HE3 MET 131 2HE MET 131 4.770 -3.167 -4.306 987 H ASP 132 H ASP 132 6.792 1.279 -5.108 988 HA ASP 132 HA ASP 132 6.244 0.027 -2.606 989 HB2 ASP 132 1HB ASP 132 8.433 2.021 -3.309 990 HB3 ASP 132 2HB ASP 132 8.391 0.968 -1.885 991 H LEU 133 H LEU 133 6.473 3.572 -3.500 992 HA LEU 133 HA LEU 133 5.865 4.533 -0.993 993 HG LEU 133 HG LEU 133 6.648 7.546 -2.114 994 HB2 LEU 133 1HB LEU 133 5.719 5.537 -3.822 995 HB3 LEU 133 2HB LEU 133 4.874 6.426 -2.620 996 HD11 LEU 133 1HD1 LEU 133 8.213 5.039 -1.501 997 HD12 LEU 133 2HD1 LEU 133 8.722 6.721 -1.182 998 HD13 LEU 133 3HD1 LEU 133 7.295 6.088 -0.370 999 HD21 LEU 133 3HD2 LEU 133 8.318 5.906 -4.003 1000 HD22 LEU 133 1HD2 LEU 133 7.268 7.276 -4.452 1001 HD23 LEU 133 2HD2 LEU 133 8.661 7.534 -3.412 1002 H VAL 134 H VAL 134 3.458 3.568 -3.653 1003 HA VAL 134 HA VAL 134 1.288 4.802 -2.313 1004 HB VAL 134 HB VAL 134 0.242 2.805 -3.895 1005 HG11 VAL 134 1HG1 VAL 134 -0.150 5.192 -4.310 1006 HG12 VAL 134 2HG1 VAL 134 1.510 5.327 -4.967 1007 HG13 VAL 134 3HG1 VAL 134 0.252 4.377 -5.814 1008 HG21 VAL 134 3HG2 VAL 134 1.153 2.368 -5.768 1009 HG22 VAL 134 1HG2 VAL 134 2.623 3.290 -5.332 1010 HG23 VAL 134 2HG2 VAL 134 2.129 1.818 -4.392 1011 H ILE 135 H ILE 135 2.500 1.411 -2.394 1012 HA ILE 135 HA ILE 135 0.330 0.452 -0.746 1013 HB ILE 135 HB ILE 135 3.041 -0.761 -1.400 1014 HG12 ILE 135 1HG1 ILE 135 0.297 -1.218 -2.594 1015 HG13 ILE 135 2HG1 ILE 135 1.627 -0.379 -3.395 1016 HG21 ILE 135 1HG2 ILE 135 2.095 -1.787 0.648 1017 HG22 ILE 135 2HG2 ILE 135 0.523 -1.998 -0.155 1018 HG23 ILE 135 3HG2 ILE 135 1.937 -2.932 -0.674 1019 HD11 ILE 135 3HD1 ILE 135 1.749 -2.489 -4.355 1020 HD12 ILE 135 1HD1 ILE 135 2.939 -2.608 -3.042 1021 HD13 ILE 135 2HD1 ILE 135 1.323 -3.319 -2.851 1022 H GLY 136 H GLY 136 3.758 1.493 -0.211 1023 HA2 GLY 136 1HA GLY 136 3.947 0.942 2.500 1024 HA3 GLY 136 2HA GLY 136 4.768 2.243 1.628 1025 H GLU 137 H GLU 137 2.317 3.733 0.860 1026 HA GLU 137 HA GLU 137 2.029 5.112 3.388 1027 HB2 GLU 137 1HB GLU 137 2.216 6.177 1.081 1028 HB3 GLU 137 2HB GLU 137 0.537 5.697 0.813 1029 HG2 GLU 137 1HG GLU 137 0.698 8.014 1.601 1030 HG3 GLU 137 2HG GLU 137 -0.147 7.032 2.794 1031 H VAL 138 H VAL 138 -0.348 3.339 1.294 1032 HA VAL 138 HA VAL 138 -2.500 3.687 3.022 1033 HB VAL 138 HB VAL 138 -2.295 2.682 0.642 1034 HG11 VAL 138 1HG1 VAL 138 -2.647 0.261 0.457 1035 HG12 VAL 138 2HG1 VAL 138 -1.037 0.689 1.003 1036 HG13 VAL 138 3HG1 VAL 138 -2.227 0.088 2.175 1037 HG21 VAL 138 3HG2 VAL 138 -4.409 3.155 1.640 1038 HG22 VAL 138 1HG2 VAL 138 -4.511 1.576 0.876 1039 HG23 VAL 138 2HG2 VAL 138 -4.335 1.688 2.648 1040 H LEU 139 H LEU 139 -0.086 1.069 3.113 1041 HA LEU 139 HA LEU 139 -0.890 -0.333 5.339 1042 HG LEU 139 HG LEU 139 0.571 -2.174 5.042 1043 HB2 LEU 139 1HB LEU 139 1.732 0.335 3.958 1044 HB3 LEU 139 2HB LEU 139 1.852 -0.346 5.559 1045 HD11 LEU 139 1HD1 LEU 139 0.180 -1.300 2.189 1046 HD12 LEU 139 2HD1 LEU 139 -0.121 -2.930 2.782 1047 HD13 LEU 139 3HD1 LEU 139 -1.057 -1.584 3.426 1048 HD21 LEU 139 3HD2 LEU 139 2.773 -1.728 2.985 1049 HD22 LEU 139 1HD2 LEU 139 2.981 -2.304 4.650 1050 HD23 LEU 139 2HD2 LEU 139 2.185 -3.331 3.459 1051 H ALA 140 H ALA 140 0.672 2.755 5.315 1052 HA ALA 140 HA ALA 140 1.557 2.665 8.084 1053 HB1 ALA 140 1HB ALA 140 2.682 4.058 6.385 1054 HB2 ALA 140 2HB ALA 140 1.227 5.047 6.190 1055 HB3 ALA 140 3HB ALA 140 2.086 5.059 7.729 1056 H GLU 141 H GLU 141 -1.255 4.202 6.423 1057 HA GLU 141 HA GLU 141 -2.231 5.229 9.004 1058 HB2 GLU 141 1HB GLU 141 -2.208 6.394 6.677 1059 HB3 GLU 141 2HB GLU 141 -3.627 5.406 6.341 1060 HG2 GLU 141 1HG GLU 141 -4.253 7.701 6.931 1061 HG3 GLU 141 2HG GLU 141 -4.864 6.532 8.113 1062 H VAL 142 H VAL 142 -2.768 2.366 7.071 1063 HA VAL 142 HA VAL 142 -5.356 1.774 8.348 1064 HB VAL 142 HB VAL 142 -3.746 0.364 6.182 1065 HG11 VAL 142 1HG1 VAL 142 -6.577 -0.251 7.178 1066 HG12 VAL 142 2HG1 VAL 142 -5.820 -0.921 5.708 1067 HG13 VAL 142 3HG1 VAL 142 -5.169 -1.322 7.283 1068 HG21 VAL 142 3HG2 VAL 142 -6.345 2.000 6.070 1069 HG22 VAL 142 1HG2 VAL 142 -4.764 2.572 5.534 1070 HG23 VAL 142 2HG2 VAL 142 -5.515 1.230 4.691 Start of MODEL 9 1 HA SER 1 HA SER 1 22.867 -12.213 -13.018 2 HG SER 1 HG SER 1 24.266 -15.004 -10.521 3 H1 SER 1 H SER 1 25.261 -12.235 -12.419 4 HB2 SER 1 1HB SER 1 22.256 -14.063 -11.207 5 HB3 SER 1 2HB SER 1 23.459 -14.334 -12.477 6 HA PRO 2 HA PRO 2 20.197 -9.817 -10.408 7 HB2 PRO 2 1HB PRO 2 17.749 -10.956 -10.635 8 HB3 PRO 2 2HB PRO 2 18.620 -10.154 -11.979 9 HG2 PRO 2 1HG PRO 2 18.466 -13.120 -11.380 10 HG3 PRO 2 2HG PRO 2 18.191 -12.293 -12.943 11 HD2 PRO 2 1HD PRO 2 20.578 -13.426 -12.281 12 HD3 PRO 2 2HD PRO 2 20.471 -11.967 -13.301 13 H GLU 3 H GLU 3 21.381 -10.270 -8.581 14 HA GLU 3 HA GLU 3 20.935 -12.546 -6.849 15 HB2 GLU 3 1HB GLU 3 23.034 -11.095 -7.224 16 HB3 GLU 3 2HB GLU 3 22.272 -9.891 -6.177 17 HG2 GLU 3 1HG GLU 3 22.203 -11.570 -4.330 18 HG3 GLU 3 2HG GLU 3 22.894 -12.784 -5.421 19 H ILE 4 H ILE 4 19.326 -9.609 -7.373 20 HA ILE 4 HA ILE 4 17.868 -8.272 -6.310 21 HB ILE 4 HB ILE 4 15.787 -9.490 -5.955 22 HG12 ILE 4 1HG1 ILE 4 17.266 -12.020 -6.722 23 HG13 ILE 4 2HG1 ILE 4 17.046 -11.572 -5.036 24 HG21 ILE 4 1HG2 ILE 4 17.383 -10.197 -8.447 25 HG22 ILE 4 2HG2 ILE 4 15.633 -10.329 -8.300 26 HG23 ILE 4 3HG2 ILE 4 16.415 -8.736 -8.173 27 HD11 ILE 4 3HD1 ILE 4 14.577 -11.454 -5.396 28 HD12 ILE 4 1HD1 ILE 4 14.819 -12.015 -7.060 29 HD13 ILE 4 2HD1 ILE 4 15.244 -13.074 -5.696 30 H MET 5 H MET 5 19.920 -8.815 -4.589 31 HA MET 5 HA MET 5 19.356 -9.588 -2.010 32 HB2 MET 5 1HB MET 5 21.482 -8.450 -1.464 33 HB3 MET 5 2HB MET 5 21.537 -9.406 -2.950 34 HG2 MET 5 1HG MET 5 21.222 -7.275 -4.264 35 HG3 MET 5 2HG MET 5 21.413 -6.382 -2.758 36 HE1 MET 5 3HE MET 5 23.488 -4.979 -2.878 37 HE2 MET 5 1HE MET 5 23.617 -6.057 -1.476 38 HE3 MET 5 2HE MET 5 25.034 -5.771 -2.514 39 H LYS 6 H LYS 6 18.081 -8.789 -0.463 40 HA LYS 6 HA LYS 6 16.669 -7.502 0.712 41 HB2 LYS 6 1HB LYS 6 19.155 -5.812 0.547 42 HB3 LYS 6 2HB LYS 6 17.795 -5.408 1.620 43 HG2 LYS 6 1HG LYS 6 18.094 -7.560 2.793 44 HG3 LYS 6 2HG LYS 6 19.444 -7.967 1.709 45 HD2 LYS 6 1HD LYS 6 20.590 -5.825 2.505 46 HD3 LYS 6 2HD LYS 6 19.298 -5.684 3.721 47 HE2 LYS 6 1HE LYS 6 19.876 -7.972 4.544 48 HE3 LYS 6 2HE LYS 6 21.175 -8.066 3.343 49 HZ1 LYS 6 3HZ LYS 6 21.902 -7.455 5.574 50 HZ2 LYS 6 1HZ LYS 6 22.320 -6.309 4.474 51 HZ3 LYS 6 2HZ LYS 6 21.036 -6.053 5.501 52 H ASN 7 H ASN 7 15.231 -7.356 -1.374 53 HA ASN 7 HA ASN 7 14.728 -4.491 -1.595 54 HB2 ASN 7 1HB ASN 7 14.423 -6.315 -3.991 55 HB3 ASN 7 2HB ASN 7 14.174 -4.580 -3.937 56 HD21 ASN 7 2HD2 ASN 7 16.570 -7.155 -4.106 57 HD22 ASN 7 1HD2 ASN 7 17.951 -6.103 -4.293 58 H LEU 8 H LEU 8 12.575 -4.079 -2.173 59 HA LEU 8 HA LEU 8 10.612 -5.845 -0.897 60 HG LEU 8 HG LEU 8 10.113 -2.349 0.139 61 HB2 LEU 8 1HB LEU 8 10.748 -3.034 -1.936 62 HB3 LEU 8 2HB LEU 8 9.177 -3.749 -1.846 63 HD11 LEU 8 1HD1 LEU 8 8.574 -4.933 0.520 64 HD12 LEU 8 2HD1 LEU 8 8.672 -3.613 1.708 65 HD13 LEU 8 3HD1 LEU 8 7.921 -3.323 0.146 66 HD21 LEU 8 3HD2 LEU 8 12.167 -3.712 0.560 67 HD22 LEU 8 1HD2 LEU 8 11.101 -3.577 1.962 68 HD23 LEU 8 2HD2 LEU 8 11.125 -5.078 1.051 69 H SER 9 H SER 9 11.387 -7.433 -2.512 70 HA SER 9 HA SER 9 9.043 -7.678 -4.303 71 HG SER 9 HG SER 9 9.375 -9.492 -5.993 72 HB2 SER 9 1HB SER 9 11.461 -7.570 -5.488 73 HB3 SER 9 2HB SER 9 11.499 -9.265 -5.029 74 H ASN 10 H ASN 10 11.690 -9.816 -3.155 75 HA ASN 10 HA ASN 10 10.231 -12.019 -2.497 76 HB2 ASN 10 1HB ASN 10 12.399 -11.250 -0.505 77 HB3 ASN 10 2HB ASN 10 12.012 -12.801 -1.183 78 HD21 ASN 10 2HD2 ASN 10 13.711 -9.690 -1.714 79 HD22 ASN 10 1HD2 ASN 10 14.672 -10.254 -3.031 80 H ASN 11 H ASN 11 11.084 -9.424 -0.277 81 HA ASN 11 HA ASN 11 9.777 -10.451 2.010 82 HB2 ASN 11 1HB ASN 11 10.549 -7.572 1.305 83 HB3 ASN 11 2HB ASN 11 10.118 -8.174 2.906 84 HD21 ASN 11 2HD2 ASN 11 12.868 -7.157 1.453 85 HD22 ASN 11 1HD2 ASN 11 13.936 -8.337 2.109 86 H PHE 12 H PHE 12 8.769 -8.070 -0.412 87 HA PHE 12 HA PHE 12 6.389 -7.255 0.808 88 HD1 PHE 12 HD1 PHE 12 4.417 -6.349 0.061 89 HD2 PHE 12 HD2 PHE 12 7.269 -4.450 -2.540 90 HE1 PHE 12 HE1 PHE 12 3.437 -4.136 0.605 91 HE2 PHE 12 HE2 PHE 12 6.301 -2.263 -2.014 92 HZ PHE 12 HZ PHE 12 4.445 -2.059 -0.365 93 HB2 PHE 12 1HB PHE 12 7.846 -6.478 -1.369 94 HB3 PHE 12 2HB PHE 12 6.580 -7.318 -2.225 95 H GLY 13 H GLY 13 7.112 -9.815 -1.630 96 HA2 GLY 13 1HA GLY 13 4.381 -10.573 -2.105 97 HA3 GLY 13 2HA GLY 13 5.846 -11.438 -2.597 98 H LYS 14 H LYS 14 6.863 -11.544 0.297 99 HA LYS 14 HA LYS 14 5.652 -14.035 1.039 100 HB2 LYS 14 1HB LYS 14 7.858 -13.938 1.643 101 HB3 LYS 14 2HB LYS 14 7.841 -12.197 1.905 102 HG2 LYS 14 1HG LYS 14 6.651 -12.522 4.001 103 HG3 LYS 14 2HG LYS 14 6.811 -14.298 3.805 104 HD2 LYS 14 1HD LYS 14 8.638 -13.695 5.213 105 HD3 LYS 14 2HD LYS 14 9.366 -13.790 3.597 106 HE2 LYS 14 1HE LYS 14 8.725 -11.229 3.466 107 HE3 LYS 14 2HE LYS 14 8.541 -11.333 5.206 108 HZ1 LYS 14 3HZ LYS 14 11.016 -12.000 3.742 109 HZ2 LYS 14 1HZ LYS 14 10.735 -10.593 4.537 110 HZ3 LYS 14 2HZ LYS 14 10.835 -12.002 5.374 111 H ALA 15 H ALA 15 5.618 -10.753 2.589 112 HA ALA 15 HA ALA 15 3.577 -11.153 4.323 113 HB1 ALA 15 1HB ALA 15 4.962 -8.973 3.630 114 HB2 ALA 15 2HB ALA 15 3.523 -8.600 2.676 115 HB3 ALA 15 3HB ALA 15 3.402 -8.830 4.444 116 H MET 16 H MET 16 3.084 -10.652 0.824 117 HA MET 16 HA MET 16 0.271 -10.386 0.905 118 HB2 MET 16 1HB MET 16 1.929 -9.887 -1.011 119 HB3 MET 16 2HB MET 16 1.853 -11.604 -1.410 120 HG2 MET 16 1HG MET 16 -0.509 -9.761 -1.148 121 HG3 MET 16 2HG MET 16 0.265 -10.118 -2.691 122 HE1 MET 16 3HE MET 16 -2.917 -10.816 -3.036 123 HE2 MET 16 1HE MET 16 -3.466 -11.835 -1.666 124 HE3 MET 16 2HE MET 16 -2.703 -10.270 -1.363 125 H ASP 17 H ASP 17 2.481 -13.176 0.542 126 HA ASP 17 HA ASP 17 0.371 -15.053 -0.046 127 HB2 ASP 17 1HB ASP 17 2.871 -15.171 -0.710 128 HB3 ASP 17 2HB ASP 17 3.186 -15.668 0.950 129 H GLN 18 H GLN 18 2.130 -14.101 2.844 130 HA GLN 18 HA GLN 18 1.122 -15.896 4.748 131 HB2 GLN 18 1HB GLN 18 2.025 -13.043 4.881 132 HB3 GLN 18 2HB GLN 18 1.512 -13.970 6.313 133 HG2 GLN 18 1HG GLN 18 3.083 -15.728 5.882 134 HG3 GLN 18 2HG GLN 18 3.514 -15.107 4.291 135 HE21 GLN 18 2HE2 GLN 18 5.499 -15.677 5.642 136 HE22 GLN 18 1HE2 GLN 18 6.173 -14.384 6.626 137 H CYS 19 H CYS 19 -0.205 -12.694 3.601 138 HA CYS 19 HA CYS 19 -2.573 -12.891 5.242 139 HB2 CYS 19 1HB CYS 19 -1.798 -11.104 2.918 140 HB3 CYS 19 2HB CYS 19 -3.264 -10.915 3.861 141 H LYS 20 H LYS 20 -1.742 -13.710 1.843 142 HA LYS 20 HA LYS 20 -4.354 -14.339 0.987 143 HB2 LYS 20 1HB LYS 20 -2.396 -14.016 -0.485 144 HB3 LYS 20 2HB LYS 20 -1.689 -15.508 0.111 145 HG2 LYS 20 1HG LYS 20 -3.645 -16.774 -0.864 146 HG3 LYS 20 2HG LYS 20 -4.193 -15.247 -1.532 147 HD2 LYS 20 1HD LYS 20 -2.932 -15.990 -3.334 148 HD3 LYS 20 2HD LYS 20 -1.632 -15.189 -2.446 149 HE2 LYS 20 1HE LYS 20 -0.576 -17.210 -2.515 150 HE3 LYS 20 2HE LYS 20 -1.709 -17.663 -1.224 151 HZ1 LYS 20 3HZ LYS 20 -2.066 -18.146 -4.117 152 HZ2 LYS 20 1HZ LYS 20 -1.878 -19.283 -2.935 153 HZ3 LYS 20 2HZ LYS 20 -3.240 -18.378 -3.008 154 H ASP 21 H ASP 21 -2.418 -15.866 3.287 155 HA ASP 21 HA ASP 21 -3.879 -18.426 3.043 156 HB2 ASP 21 1HB ASP 21 -1.329 -18.446 3.176 157 HB3 ASP 21 2HB ASP 21 -1.469 -17.898 4.824 158 H GLU 22 H GLU 22 -2.698 -16.219 5.636 159 HA GLU 22 HA GLU 22 -4.393 -17.038 7.721 160 HB2 GLU 22 1HB GLU 22 -3.347 -14.262 6.996 161 HB3 GLU 22 2HB GLU 22 -4.222 -14.631 8.481 162 HG2 GLU 22 1HG GLU 22 -2.437 -16.375 8.968 163 HG3 GLU 22 2HG GLU 22 -1.468 -15.616 7.696 164 H LEU 23 H LEU 23 -4.976 -14.806 5.034 165 HA LEU 23 HA LEU 23 -7.798 -14.387 6.018 166 HG LEU 23 HG LEU 23 -5.426 -12.301 5.678 167 HB2 LEU 23 1HB LEU 23 -6.505 -13.269 3.539 168 HB3 LEU 23 2HB LEU 23 -8.050 -12.813 4.235 169 HD11 LEU 23 1HD1 LEU 23 -5.465 -11.153 3.510 170 HD12 LEU 23 2HD1 LEU 23 -7.074 -10.505 3.852 171 HD13 LEU 23 3HD1 LEU 23 -5.687 -9.995 4.835 172 HD21 LEU 23 3HD2 LEU 23 -7.463 -12.344 7.092 173 HD22 LEU 23 1HD2 LEU 23 -6.817 -10.703 6.956 174 HD23 LEU 23 2HD2 LEU 23 -8.258 -11.184 6.016 175 H SER 24 H SER 24 -5.961 -16.350 3.755 176 HA SER 24 HA SER 24 -6.573 -17.807 2.149 177 HG SER 24 HG SER 24 -7.545 -19.894 2.619 178 HB2 SER 24 1HB SER 24 -8.086 -18.448 4.156 179 HB3 SER 24 2HB SER 24 -9.413 -17.826 3.146 180 H LEU 25 H LEU 25 -6.168 -15.466 1.095 181 HA LEU 25 HA LEU 25 -8.526 -14.356 -0.257 182 HG LEU 25 HG LEU 25 -5.846 -12.300 1.155 183 HB2 LEU 25 1HB LEU 25 -5.543 -13.698 -0.625 184 HB3 LEU 25 2HB LEU 25 -6.830 -12.933 -1.471 185 HD11 LEU 25 1HD1 LEU 25 -7.185 -10.233 0.467 186 HD12 LEU 25 2HD1 LEU 25 -6.121 -10.803 -0.845 187 HD13 LEU 25 3HD1 LEU 25 -7.849 -11.124 -0.916 188 HD21 LEU 25 3HD2 LEU 25 -7.946 -13.422 2.006 189 HD22 LEU 25 1HD2 LEU 25 -8.110 -11.662 2.103 190 HD23 LEU 25 2HD2 LEU 25 -8.897 -12.604 0.823 191 HA PRO 26 HA PRO 26 -8.328 -17.397 -3.415 192 HB2 PRO 26 1HB PRO 26 -9.950 -16.334 -5.334 193 HB3 PRO 26 2HB PRO 26 -10.600 -16.908 -3.786 194 HG2 PRO 26 1HG PRO 26 -9.852 -14.130 -4.549 195 HG3 PRO 26 2HG PRO 26 -11.387 -14.654 -3.777 196 HD2 PRO 26 1HD PRO 26 -9.305 -13.582 -2.352 197 HD3 PRO 26 2HD PRO 26 -10.304 -14.898 -1.678 198 H ASP 27 H ASP 27 -7.443 -17.731 -5.427 199 HA ASP 27 HA ASP 27 -5.100 -16.346 -6.154 200 HB2 ASP 27 1HB ASP 27 -5.720 -18.681 -6.747 201 HB3 ASP 27 2HB ASP 27 -6.903 -18.078 -7.897 202 H SER 28 H SER 28 -8.424 -15.755 -7.129 203 HA SER 28 HA SER 28 -7.886 -14.338 -9.590 204 HG SER 28 HG SER 28 -11.455 -14.983 -7.757 205 HB2 SER 28 1HB SER 28 -10.383 -13.848 -9.275 206 HB3 SER 28 2HB SER 28 -9.938 -15.545 -9.473 207 H VAL 29 H VAL 29 -8.728 -13.584 -6.209 208 HA VAL 29 HA VAL 29 -8.828 -10.734 -6.782 209 HB VAL 29 HB VAL 29 -8.955 -12.133 -4.089 210 HG11 VAL 29 1HG1 VAL 29 -8.277 -9.835 -3.716 211 HG12 VAL 29 2HG1 VAL 29 -9.373 -9.239 -4.977 212 HG13 VAL 29 3HG1 VAL 29 -10.034 -9.874 -3.471 213 HG21 VAL 29 3HG2 VAL 29 -11.054 -10.964 -5.961 214 HG22 VAL 29 1HG2 VAL 29 -10.875 -12.667 -5.672 215 HG23 VAL 29 2HG2 VAL 29 -11.394 -11.635 -4.338 216 H VAL 30 H VAL 30 -6.409 -13.028 -5.439 217 HA VAL 30 HA VAL 30 -4.388 -11.056 -4.794 218 HB VAL 30 HB VAL 30 -4.319 -13.994 -5.684 219 HG11 VAL 30 1HG1 VAL 30 -2.136 -13.118 -6.178 220 HG12 VAL 30 2HG1 VAL 30 -2.040 -12.293 -4.616 221 HG13 VAL 30 3HG1 VAL 30 -2.018 -14.073 -4.704 222 HG21 VAL 30 3HG2 VAL 30 -4.874 -14.519 -3.599 223 HG22 VAL 30 1HG2 VAL 30 -3.533 -13.588 -2.936 224 HG23 VAL 30 2HG2 VAL 30 -5.100 -12.811 -3.198 225 H ALA 31 H ALA 31 -5.076 -12.955 -7.844 226 HA ALA 31 HA ALA 31 -3.105 -11.695 -9.398 227 HB1 ALA 31 1HB ALA 31 -5.847 -12.709 -10.278 228 HB2 ALA 31 2HB ALA 31 -4.411 -12.472 -11.309 229 HB3 ALA 31 3HB ALA 31 -4.405 -13.717 -10.066 230 H ASP 32 H ASP 32 -6.517 -10.770 -8.745 231 HA ASP 32 HA ASP 32 -6.340 -8.279 -10.243 232 HB2 ASP 32 1HB ASP 32 -8.266 -9.377 -8.224 233 HB3 ASP 32 2HB ASP 32 -8.293 -7.655 -8.518 234 H LEU 33 H LEU 33 -5.063 -9.100 -7.137 235 HA LEU 33 HA LEU 33 -4.925 -6.407 -6.159 236 HG LEU 33 HG LEU 33 -5.246 -6.514 -4.110 237 HB2 LEU 33 1HB LEU 33 -4.870 -8.894 -4.996 238 HB3 LEU 33 2HB LEU 33 -3.167 -8.550 -4.989 239 HD11 LEU 33 1HD1 LEU 33 -5.799 -8.477 -2.877 240 HD12 LEU 33 2HD1 LEU 33 -4.113 -8.652 -2.318 241 HD13 LEU 33 3HD1 LEU 33 -5.090 -7.226 -1.845 242 HD21 LEU 33 3HD2 LEU 33 -3.030 -5.644 -4.296 243 HD22 LEU 33 1HD2 LEU 33 -3.259 -5.910 -2.572 244 HD23 LEU 33 2HD2 LEU 33 -2.322 -7.105 -3.571 245 H TYR 34 H TYR 34 -2.584 -8.694 -7.596 246 HA TYR 34 HA TYR 34 -0.452 -6.709 -7.669 247 HD1 TYR 34 HD1 TYR 34 -0.976 -10.493 -7.001 248 HD2 TYR 34 HD2 TYR 34 2.231 -7.809 -8.040 249 HE1 TYR 34 HE1 TYR 34 0.275 -11.277 -5.036 250 HE2 TYR 34 HE2 TYR 34 3.526 -8.598 -6.065 251 HH TYR 34 HH TYR 34 2.099 -10.688 -3.601 252 HB2 TYR 34 1HB TYR 34 -0.939 -9.279 -9.201 253 HB3 TYR 34 2HB TYR 34 0.402 -8.189 -9.567 254 H ASN 35 H ASN 35 -3.322 -7.343 -9.663 255 HA ASN 35 HA ASN 35 -2.516 -5.576 -11.795 256 HB2 ASN 35 1HB ASN 35 -5.281 -6.470 -10.890 257 HB3 ASN 35 2HB ASN 35 -5.010 -5.393 -12.240 258 HD21 ASN 35 2HD2 ASN 35 -6.216 -8.113 -12.438 259 HD22 ASN 35 1HD2 ASN 35 -5.102 -8.960 -13.494 260 H PHE 36 H PHE 36 -3.739 -4.952 -8.539 261 HA PHE 36 HA PHE 36 -5.000 -2.504 -8.967 262 HD1 PHE 36 HD1 PHE 36 -6.943 -2.492 -6.866 263 HD2 PHE 36 HD2 PHE 36 -3.143 -0.703 -6.033 264 HE1 PHE 36 HE1 PHE 36 -8.093 -0.507 -5.829 265 HE2 PHE 36 HE2 PHE 36 -4.266 1.232 -4.947 266 HZ PHE 36 HZ PHE 36 -6.732 1.253 -4.721 267 HB2 PHE 36 1HB PHE 36 -4.858 -3.891 -6.781 268 HB3 PHE 36 2HB PHE 36 -3.322 -3.108 -6.522 269 H TRP 37 H TRP 37 -1.632 -2.919 -7.887 270 HA TRP 37 HA TRP 37 -1.047 -0.138 -8.253 271 HD1 TRP 37 HD1 TRP 37 -0.114 -4.226 -6.781 272 HE1 TRP 37 HE1 TRP 37 -1.417 -4.637 -4.612 273 HE3 TRP 37 HE3 TRP 37 -0.660 0.622 -5.232 274 HZ2 TRP 37 HZ2 TRP 37 -2.587 -3.054 -2.479 275 HZ3 TRP 37 HZ3 TRP 37 -1.947 1.133 -3.173 276 HH2 TRP 37 HH2 TRP 37 -2.826 -0.652 -1.747 277 HB2 TRP 37 1HB TRP 37 1.054 -2.265 -7.892 278 HB3 TRP 37 2HB TRP 37 0.963 -0.664 -7.171 279 H LYS 38 H LYS 38 -1.610 -2.185 -10.700 280 HA LYS 38 HA LYS 38 0.976 -2.466 -11.873 281 HB2 LYS 38 1HB LYS 38 -1.286 -3.878 -12.136 282 HB3 LYS 38 2HB LYS 38 -1.457 -2.901 -13.587 283 HG2 LYS 38 1HG LYS 38 -0.206 -4.598 -14.467 284 HG3 LYS 38 2HG LYS 38 1.145 -3.641 -13.864 285 HD2 LYS 38 1HD LYS 38 0.870 -4.971 -11.652 286 HD3 LYS 38 2HD LYS 38 -0.188 -6.065 -12.568 287 HE2 LYS 38 1HE LYS 38 2.739 -5.400 -13.075 288 HE3 LYS 38 2HE LYS 38 2.102 -6.916 -12.405 289 HZ1 LYS 38 3HZ LYS 38 2.657 -6.968 -14.845 290 HZ2 LYS 38 1HZ LYS 38 1.089 -7.391 -14.527 291 HZ3 LYS 38 2HZ LYS 38 1.463 -5.904 -15.121 292 H ASP 39 H ASP 39 -1.896 -0.713 -13.162 293 HA ASP 39 HA ASP 39 -0.227 1.577 -13.901 294 HB2 ASP 39 1HB ASP 39 0.075 0.221 -15.912 295 HB3 ASP 39 2HB ASP 39 -1.662 -0.085 -16.016 296 H ASP 40 H ASP 40 -3.490 0.033 -14.523 297 HA ASP 40 HA ASP 40 -4.743 2.160 -12.994 298 HB2 ASP 40 1HB ASP 40 -4.720 3.277 -15.199 299 HB3 ASP 40 2HB ASP 40 -5.458 1.860 -15.945 300 H TYR 41 H TYR 41 -5.662 0.669 -11.668 301 HA TYR 41 HA TYR 41 -7.694 -1.081 -12.954 302 HD1 TYR 41 HD2 TYR 41 -7.818 -3.696 -13.225 303 HD2 TYR 41 HD1 TYR 41 -7.002 -2.855 -9.081 304 HE1 TYR 41 HE2 TYR 41 -9.444 -5.459 -12.529 305 HE2 TYR 41 HE1 TYR 41 -8.445 -4.661 -8.380 306 HH TYR 41 HH TYR 41 -10.177 -6.759 -10.707 307 HB2 TYR 41 1HB TYR 41 -5.727 -2.445 -12.478 308 HB3 TYR 41 2HB TYR 41 -5.667 -1.825 -10.836 309 H VAL 42 H VAL 42 -9.519 -1.546 -11.660 310 HA VAL 42 HA VAL 42 -9.743 -0.226 -9.033 311 HB VAL 42 HB VAL 42 -11.622 0.104 -11.382 312 HG11 VAL 42 1HG1 VAL 42 -13.241 1.097 -9.719 313 HG12 VAL 42 2HG1 VAL 42 -13.111 -0.650 -9.686 314 HG13 VAL 42 3HG1 VAL 42 -12.294 0.280 -8.440 315 HG21 VAL 42 3HG2 VAL 42 -11.539 2.473 -10.749 316 HG22 VAL 42 1HG2 VAL 42 -10.470 2.087 -9.376 317 HG23 VAL 42 2HG2 VAL 42 -9.916 1.858 -11.049 318 H MET 43 H MET 43 -10.051 -1.799 -7.694 319 HA MET 43 HA MET 43 -10.983 -4.459 -8.448 320 HB2 MET 43 1HB MET 43 -11.111 -4.554 -5.764 321 HB3 MET 43 2HB MET 43 -9.615 -4.774 -6.612 322 HG2 MET 43 1HG MET 43 -8.780 -2.748 -6.001 323 HG3 MET 43 2HG MET 43 -10.338 -1.958 -5.836 324 HE1 MET 43 3HE MET 43 -8.450 -1.147 -3.588 325 HE2 MET 43 1HE MET 43 -8.048 -2.359 -2.355 326 HE3 MET 43 2HE MET 43 -7.447 -2.558 -4.025 327 H THR 44 H THR 44 -12.700 -5.473 -7.467 328 HA THR 44 HA THR 44 -14.932 -3.770 -6.481 329 HB THR 44 HB THR 44 -16.503 -5.318 -7.523 330 HG1 THR 44 1HG THR 44 -14.282 -6.522 -8.785 331 HG21 THR 44 3HG2 THR 44 -14.501 -4.379 -9.637 332 HG22 THR 44 1HG2 THR 44 -16.227 -4.691 -9.847 333 HG23 THR 44 2HG2 THR 44 -15.690 -3.335 -8.840 334 H ASP 45 H ASP 45 -12.797 -6.588 -5.987 335 HA ASP 45 HA ASP 45 -14.543 -8.005 -4.288 336 HB2 ASP 45 1HB ASP 45 -11.628 -8.181 -5.038 337 HB3 ASP 45 2HB ASP 45 -12.384 -9.279 -3.938 338 H ARG 46 H ARG 46 -14.848 -7.661 -2.276 339 HA ARG 46 HA ARG 46 -13.689 -5.731 -0.660 340 HE ARG 46 HE ARG 46 -15.955 -11.201 2.034 341 HB2 ARG 46 1HB ARG 46 -14.899 -6.587 1.161 342 HB3 ARG 46 2HB ARG 46 -15.870 -6.994 -0.259 343 HG2 ARG 46 1HG ARG 46 -14.779 -9.301 -0.229 344 HG3 ARG 46 2HG ARG 46 -14.007 -8.833 1.287 345 HD2 ARG 46 1HD ARG 46 -16.563 -8.368 1.992 346 HD3 ARG 46 2HD ARG 46 -16.854 -9.550 0.720 347 HH11 ARG 46 2HH2 ARG 46 -15.482 -8.111 3.691 348 HH12 ARG 46 1HH2 ARG 46 -14.553 -8.745 4.980 349 HH21 ARG 46 2HH1 ARG 46 -14.463 -12.064 3.639 350 HH22 ARG 46 1HH1 ARG 46 -14.011 -11.072 4.973 351 H LEU 47 H LEU 47 -12.383 -9.177 -1.095 352 HA LEU 47 HA LEU 47 -10.925 -9.117 1.234 353 HG LEU 47 HG LEU 47 -10.769 -12.403 -0.720 354 HB2 LEU 47 1HB LEU 47 -9.957 -10.320 -1.367 355 HB3 LEU 47 2HB LEU 47 -9.553 -10.708 0.278 356 HD11 LEU 47 1HD1 LEU 47 -12.432 -11.087 1.448 357 HD12 LEU 47 2HD1 LEU 47 -12.462 -12.798 0.964 358 HD13 LEU 47 3HD1 LEU 47 -10.995 -12.122 1.683 359 HD21 LEU 47 3HD2 LEU 47 -12.788 -12.402 -1.637 360 HD22 LEU 47 1HD2 LEU 47 -13.238 -10.806 -0.970 361 HD23 LEU 47 2HD2 LEU 47 -11.994 -10.949 -2.261 362 H ALA 48 H ALA 48 -10.248 -7.331 -1.811 363 HA ALA 48 HA ALA 48 -7.399 -7.301 -1.467 364 HB1 ALA 48 1HB ALA 48 -9.382 -5.522 -2.852 365 HB2 ALA 48 2HB ALA 48 -7.625 -5.176 -2.866 366 HB3 ALA 48 3HB ALA 48 -8.264 -6.679 -3.575 367 H GLY 49 H GLY 49 -10.028 -5.208 -0.171 368 HA2 GLY 49 1HA GLY 49 -8.439 -3.464 1.420 369 HA3 GLY 49 2HA GLY 49 -10.094 -3.941 1.739 370 H CYS 50 H CYS 50 -9.681 -6.768 2.071 371 HA CYS 50 HA CYS 50 -8.747 -6.881 4.779 372 HB2 CYS 50 1HB CYS 50 -9.256 -9.182 2.801 373 HB3 CYS 50 2HB CYS 50 -8.887 -9.339 4.512 374 H ALA 51 H ALA 51 -7.227 -7.983 1.732 375 HA ALA 51 HA ALA 51 -4.830 -9.000 2.840 376 HB1 ALA 51 1HB ALA 51 -5.046 -9.719 0.678 377 HB2 ALA 51 2HB ALA 51 -5.869 -8.259 0.142 378 HB3 ALA 51 3HB ALA 51 -4.113 -8.263 0.318 379 H ILE 52 H ILE 52 -5.652 -5.697 1.696 380 HA ILE 52 HA ILE 52 -3.107 -4.519 2.258 381 HB ILE 52 HB ILE 52 -5.952 -3.402 2.187 382 HG12 ILE 52 1HG1 ILE 52 -3.783 -2.995 0.071 383 HG13 ILE 52 2HG1 ILE 52 -4.842 -4.381 0.025 384 HG21 ILE 52 1HG2 ILE 52 -4.880 -1.137 1.887 385 HG22 ILE 52 2HG2 ILE 52 -4.589 -1.826 3.483 386 HG23 ILE 52 3HG2 ILE 52 -3.311 -1.885 2.254 387 HD11 ILE 52 3HD1 ILE 52 -6.817 -2.657 0.167 388 HD12 ILE 52 1HD1 ILE 52 -5.597 -1.475 -0.353 389 HD13 ILE 52 2HD1 ILE 52 -5.960 -2.897 -1.348 390 H ASN 53 H ASN 53 -6.153 -4.643 4.330 391 HA ASN 53 HA ASN 53 -4.742 -3.339 6.421 392 HB2 ASN 53 1HB ASN 53 -6.621 -3.549 7.765 393 HB3 ASN 53 2HB ASN 53 -7.229 -3.393 6.124 394 HD21 ASN 53 2HD2 ASN 53 -9.111 -4.400 6.175 395 HD22 ASN 53 1HD2 ASN 53 -9.451 -5.990 6.846 396 H CYS 54 H CYS 54 -4.713 -6.696 5.574 397 HA CYS 54 HA CYS 54 -3.520 -7.606 8.068 398 HB2 CYS 54 1HB CYS 54 -4.694 -9.142 6.704 399 HB3 CYS 54 2HB CYS 54 -3.738 -8.743 5.270 400 H LEU 55 H LEU 55 -2.219 -6.528 4.878 401 HA LEU 55 HA LEU 55 0.522 -6.973 5.339 402 HG LEU 55 HG LEU 55 1.383 -5.957 2.474 403 HB2 LEU 55 1HB LEU 55 -1.156 -5.154 3.646 404 HB3 LEU 55 2HB LEU 55 0.460 -4.612 3.929 405 HD11 LEU 55 1HD1 LEU 55 1.187 -8.070 3.631 406 HD12 LEU 55 2HD1 LEU 55 -0.530 -8.203 3.211 407 HD13 LEU 55 3HD1 LEU 55 0.737 -8.308 1.952 408 HD21 LEU 55 3HD2 LEU 55 -0.434 -4.892 1.292 409 HD22 LEU 55 1HD2 LEU 55 0.059 -6.435 0.583 410 HD23 LEU 55 2HD2 LEU 55 -1.450 -6.328 1.536 411 H ALA 56 H ALA 56 -1.503 -4.587 6.718 412 HA ALA 56 HA ALA 56 0.478 -2.553 7.347 413 HB1 ALA 56 1HB ALA 56 -2.323 -2.933 8.472 414 HB2 ALA 56 2HB ALA 56 -1.308 -1.480 8.550 415 HB3 ALA 56 3HB ALA 56 -1.938 -2.018 6.984 416 H THR 57 H THR 57 -0.557 -5.572 8.678 417 HA THR 57 HA THR 57 0.630 -4.988 11.301 418 HB THR 57 HB THR 57 -1.786 -6.073 10.574 419 HG1 THR 57 1HG THR 57 -1.110 -5.120 12.507 420 HG21 THR 57 3HG2 THR 57 -1.935 -8.340 11.255 421 HG22 THR 57 1HG2 THR 57 -0.755 -8.254 9.939 422 HG23 THR 57 2HG2 THR 57 -0.201 -8.429 11.624 423 H LYS 58 H LYS 58 1.827 -5.900 8.208 424 HA LYS 58 HA LYS 58 3.677 -7.773 9.484 425 HB2 LYS 58 1HB LYS 58 1.670 -8.213 7.397 426 HB3 LYS 58 2HB LYS 58 3.271 -8.434 6.730 427 HG2 LYS 58 1HG LYS 58 3.856 -9.976 8.563 428 HG3 LYS 58 2HG LYS 58 2.321 -9.668 9.348 429 HD2 LYS 58 1HD LYS 58 2.410 -10.809 6.529 430 HD3 LYS 58 2HD LYS 58 2.705 -11.843 7.924 431 HE2 LYS 58 1HE LYS 58 0.161 -10.253 7.431 432 HE3 LYS 58 2HE LYS 58 0.390 -11.984 7.190 433 HZ1 LYS 58 3HZ LYS 58 -0.413 -12.073 9.220 434 HZ2 LYS 58 1HZ LYS 58 1.143 -11.810 9.697 435 HZ3 LYS 58 2HZ LYS 58 0.044 -10.570 9.678 436 H LEU 59 H LEU 59 4.001 -4.969 9.509 437 HA LEU 59 HA LEU 59 5.385 -4.083 7.171 438 HG LEU 59 HG LEU 59 3.355 -2.906 9.479 439 HB2 LEU 59 1HB LEU 59 5.772 -2.944 9.917 440 HB3 LEU 59 2HB LEU 59 6.106 -2.202 8.348 441 HD11 LEU 59 1HD1 LEU 59 4.159 -0.999 10.591 442 HD12 LEU 59 2HD1 LEU 59 4.844 -0.311 9.097 443 HD13 LEU 59 3HD1 LEU 59 3.106 -0.367 9.289 444 HD21 LEU 59 3HD2 LEU 59 3.265 -3.116 7.019 445 HD22 LEU 59 1HD2 LEU 59 2.373 -1.712 7.624 446 HD23 LEU 59 2HD2 LEU 59 3.927 -1.471 6.862 447 H ASP 60 H ASP 60 6.256 -6.135 9.844 448 HA ASP 60 HA ASP 60 9.153 -5.711 9.683 449 HB2 ASP 60 1HB ASP 60 9.131 -7.390 11.539 450 HB3 ASP 60 2HB ASP 60 8.287 -5.902 11.882 451 H VAL 61 H VAL 61 6.895 -7.359 7.940 452 HA VAL 61 HA VAL 61 8.683 -9.653 7.314 453 HB VAL 61 HB VAL 61 5.951 -9.492 7.974 454 HG11 VAL 61 1HG1 VAL 61 4.691 -10.391 6.201 455 HG12 VAL 61 2HG1 VAL 61 5.227 -8.753 5.917 456 HG13 VAL 61 3HG1 VAL 61 6.040 -10.111 5.078 457 HG21 VAL 61 3HG2 VAL 61 6.852 -11.815 6.235 458 HG22 VAL 61 1HG2 VAL 61 7.708 -11.605 7.801 459 HG23 VAL 61 2HG2 VAL 61 5.958 -11.858 7.754 460 H VAL 62 H VAL 62 6.439 -7.140 5.963 461 HA VAL 62 HA VAL 62 7.282 -7.558 3.293 462 HB VAL 62 HB VAL 62 5.241 -6.574 4.379 463 HG11 VAL 62 1HG1 VAL 62 5.099 -4.254 4.863 464 HG12 VAL 62 2HG1 VAL 62 6.448 -5.012 5.745 465 HG13 VAL 62 3HG1 VAL 62 6.771 -4.008 4.289 466 HG21 VAL 62 3HG2 VAL 62 4.851 -4.761 2.593 467 HG22 VAL 62 1HG2 VAL 62 6.435 -5.254 1.966 468 HG23 VAL 62 2HG2 VAL 62 5.077 -6.440 2.131 469 H ASP 63 H ASP 63 8.527 -5.383 5.837 470 HA ASP 63 HA ASP 63 10.899 -4.730 4.151 471 HB2 ASP 63 1HB ASP 63 9.400 -2.850 4.040 472 HB3 ASP 63 2HB ASP 63 9.214 -2.822 5.789 473 HA PRO 64 HA PRO 64 11.701 -6.634 8.286 474 HB2 PRO 64 1HB PRO 64 13.732 -8.349 7.615 475 HB3 PRO 64 2HB PRO 64 12.005 -8.722 7.313 476 HG2 PRO 64 1HG PRO 64 14.034 -7.551 5.381 477 HG3 PRO 64 2HG PRO 64 12.927 -8.937 5.126 478 HD2 PRO 64 1HD PRO 64 12.321 -6.414 4.264 479 HD3 PRO 64 2HD PRO 64 11.053 -7.497 4.913 480 H ASP 65 H ASP 65 13.656 -4.791 6.101 481 HA ASP 65 HA ASP 65 15.985 -4.419 7.719 482 HB2 ASP 65 1HB ASP 65 14.707 -2.839 5.459 483 HB3 ASP 65 2HB ASP 65 16.260 -2.429 6.207 484 H GLY 66 H GLY 66 12.648 -3.073 7.839 485 HA2 GLY 66 1HA GLY 66 11.728 -2.675 9.870 486 HA3 GLY 66 2HA GLY 66 13.322 -2.462 10.611 487 H ASN 67 H ASN 67 12.028 -0.893 7.682 488 HA ASN 67 HA ASN 67 12.528 1.724 8.943 489 HB2 ASN 67 1HB ASN 67 12.203 0.852 6.061 490 HB3 ASN 67 2HB ASN 67 12.210 2.515 6.531 491 HD21 ASN 67 2HD2 ASN 67 14.160 -0.274 6.087 492 HD22 ASN 67 1HD2 ASN 67 15.693 0.355 6.689 493 H LEU 68 H LEU 68 10.075 -0.090 7.091 494 HA LEU 68 HA LEU 68 8.018 1.914 7.310 495 HG LEU 68 HG LEU 68 5.647 -0.332 7.112 496 HB2 LEU 68 1HB LEU 68 8.178 0.105 5.574 497 HB3 LEU 68 2HB LEU 68 7.852 -1.090 6.805 498 HD11 LEU 68 1HD1 LEU 68 5.780 2.104 6.950 499 HD12 LEU 68 2HD1 LEU 68 6.051 1.966 5.185 500 HD13 LEU 68 3HD1 LEU 68 4.522 1.429 5.927 501 HD21 LEU 68 3HD2 LEU 68 6.042 -1.772 5.164 502 HD22 LEU 68 1HD2 LEU 68 4.713 -0.644 4.813 503 HD23 LEU 68 2HD2 LEU 68 6.324 -0.344 4.140 504 H HIS 69 H HIS 69 6.753 2.420 9.031 505 HA HIS 69 HA HIS 69 5.982 0.315 10.935 506 HD1 HIS 69 HD1 HIS 69 7.889 -0.892 12.405 507 HD2 HIS 69 HD2 HIS 69 9.689 2.898 11.820 508 HE1 HIS 69 HE1 HIS 69 10.398 -1.286 12.187 509 HE2 HIS 69 HE2 HIS 69 11.501 0.972 11.833 510 HB2 HIS 69 1HB HIS 69 7.088 2.916 12.027 511 HB3 HIS 69 2HB HIS 69 6.364 1.595 12.903 512 H HIS 70 H HIS 70 4.198 1.287 12.501 513 HA HIS 70 HA HIS 70 2.139 2.326 10.827 514 HD1 HIS 70 HD1 HIS 70 1.080 -0.091 14.944 515 HD2 HIS 70 HD2 HIS 70 1.816 0.072 10.803 516 HE1 HIS 70 HE1 HIS 70 0.953 -2.482 14.101 517 HE2 HIS 70 HE2 HIS 70 1.277 -2.361 11.518 518 HB2 HIS 70 1HB HIS 70 2.194 2.287 13.889 519 HB3 HIS 70 2HB HIS 70 0.781 2.424 12.857 520 H GLY 71 H GLY 71 1.265 4.326 10.651 521 HA2 GLY 71 1HA GLY 71 1.283 6.562 10.365 522 HA3 GLY 71 2HA GLY 71 2.101 6.705 11.927 523 H ASN 72 H ASN 72 3.967 4.705 9.797 524 HA ASN 72 HA ASN 72 5.814 6.990 9.362 525 HB2 ASN 72 1HB ASN 72 5.934 5.706 11.649 526 HB3 ASN 72 2HB ASN 72 6.596 4.410 10.688 527 HD21 ASN 72 2HD2 ASN 72 8.854 4.473 10.245 528 HD22 ASN 72 1HD2 ASN 72 9.808 5.885 10.710 529 H ALA 73 H ALA 73 4.808 6.282 7.123 530 HA ALA 73 HA ALA 73 6.400 4.182 5.824 531 HB1 ALA 73 1HB ALA 73 5.369 4.910 3.841 532 HB2 ALA 73 2HB ALA 73 4.078 5.074 5.048 533 HB3 ALA 73 3HB ALA 73 5.008 6.501 4.517 534 H LYS 74 H LYS 74 7.168 7.152 7.279 535 HA LYS 74 HA LYS 74 8.539 8.606 5.294 536 HB2 LYS 74 1HB LYS 74 7.997 8.582 8.233 537 HB3 LYS 74 2HB LYS 74 9.582 9.178 7.830 538 HG2 LYS 74 1HG LYS 74 8.661 10.874 6.332 539 HG3 LYS 74 2HG LYS 74 7.055 10.131 6.433 540 HD2 LYS 74 1HD LYS 74 7.055 12.089 7.754 541 HD3 LYS 74 2HD LYS 74 6.912 10.683 8.820 542 HE2 LYS 74 1HE LYS 74 9.258 10.894 9.497 543 HE3 LYS 74 2HE LYS 74 9.546 12.129 8.251 544 HZ1 LYS 74 3HZ LYS 74 7.671 12.548 10.489 545 HZ2 LYS 74 1HZ LYS 74 9.251 13.020 10.510 546 HZ3 LYS 74 2HZ LYS 74 8.227 13.658 9.407 547 H ASP 75 H ASP 75 9.833 6.582 7.977 548 HA ASP 75 HA ASP 75 12.494 6.535 7.144 549 HB2 ASP 75 1HB ASP 75 10.766 4.858 8.862 550 HB3 ASP 75 2HB ASP 75 12.031 3.940 8.096 551 H PHE 76 H PHE 76 9.728 4.815 5.830 552 HA PHE 76 HA PHE 76 11.313 2.824 4.355 553 HD1 PHE 76 HD1 PHE 76 10.457 0.461 3.935 554 HD2 PHE 76 HD2 PHE 76 7.194 2.857 2.396 555 HE1 PHE 76 HE1 PHE 76 9.898 -1.317 2.312 556 HE2 PHE 76 HE2 PHE 76 6.651 1.066 0.793 557 HZ PHE 76 HZ PHE 76 7.988 -1.016 0.725 558 HB2 PHE 76 1HB PHE 76 9.104 2.323 5.308 559 HB3 PHE 76 2HB PHE 76 8.349 3.547 4.324 560 H ALA 77 H ALA 77 9.448 5.767 3.587 561 HA ALA 77 HA ALA 77 9.801 5.818 0.787 562 HB1 ALA 77 1HB ALA 77 9.008 8.171 1.103 563 HB2 ALA 77 2HB ALA 77 8.081 7.057 2.092 564 HB3 ALA 77 3HB ALA 77 9.352 8.053 2.829 565 H MET 78 H MET 78 11.654 7.233 3.443 566 HA MET 78 HA MET 78 13.719 8.491 1.955 567 HB2 MET 78 1HB MET 78 13.978 7.201 4.716 568 HB3 MET 78 2HB MET 78 15.038 8.419 4.006 569 HG2 MET 78 1HG MET 78 12.597 9.680 3.851 570 HG3 MET 78 2HG MET 78 12.419 8.724 5.307 571 HE1 MET 78 3HE MET 78 12.270 11.861 4.835 572 HE2 MET 78 1HE MET 78 11.742 10.956 6.277 573 HE3 MET 78 2HE MET 78 12.836 12.351 6.453 574 H LYS 79 H LYS 79 13.022 5.160 2.270 575 HA LYS 79 HA LYS 79 15.713 4.331 1.378 576 HB2 LYS 79 1HB LYS 79 13.825 3.170 3.466 577 HB3 LYS 79 2HB LYS 79 14.899 2.082 2.615 578 HG2 LYS 79 1HG LYS 79 15.941 4.565 4.041 579 HG3 LYS 79 2HG LYS 79 15.796 2.978 4.816 580 HD2 LYS 79 1HD LYS 79 17.281 1.948 3.220 581 HD3 LYS 79 2HD LYS 79 17.322 3.394 2.215 582 HE2 LYS 79 1HE LYS 79 18.363 4.636 4.156 583 HE3 LYS 79 2HE LYS 79 18.554 3.063 4.956 584 HZ1 LYS 79 3HZ LYS 79 19.740 2.351 2.888 585 HZ2 LYS 79 1HZ LYS 79 19.616 3.850 2.301 586 HZ3 LYS 79 2HZ LYS 79 20.524 3.618 3.639 587 H HIS 80 H HIS 80 13.384 5.224 -0.166 588 HA HIS 80 HA HIS 80 13.478 2.930 -2.028 589 HD1 HIS 80 HD1 HIS 80 11.456 1.165 -3.311 590 HD2 HIS 80 HD2 HIS 80 11.187 1.999 0.828 591 HE1 HIS 80 HE1 HIS 80 11.392 -1.063 -2.126 592 HE2 HIS 80 HE2 HIS 80 11.365 -0.547 0.432 593 HB2 HIS 80 1HB HIS 80 10.954 4.146 -0.906 594 HB3 HIS 80 2HB HIS 80 10.988 3.745 -2.624 595 H GLY 81 H GLY 81 12.587 6.433 -1.637 596 HA2 GLY 81 1HA GLY 81 14.064 7.491 -3.712 597 HA3 GLY 81 2HA GLY 81 12.728 6.698 -4.543 598 H ALA 82 H ALA 82 12.891 8.579 -1.428 599 HA ALA 82 HA ALA 82 11.197 10.646 -2.547 600 HB1 ALA 82 1HB ALA 82 9.560 10.229 -0.570 601 HB2 ALA 82 2HB ALA 82 9.458 9.076 -1.924 602 HB3 ALA 82 3HB ALA 82 10.344 8.658 -0.434 603 H ASP 83 H ASP 83 10.907 12.302 -0.937 604 HA ASP 83 HA ASP 83 13.092 12.460 1.118 605 HB2 ASP 83 1HB ASP 83 11.942 14.807 -0.429 606 HB3 ASP 83 2HB ASP 83 13.403 14.765 0.564 607 H GLU 84 H GLU 84 12.299 14.490 2.737 608 HA GLU 84 HA GLU 84 9.884 13.734 4.028 609 HB2 GLU 84 1HB GLU 84 11.165 16.493 3.888 610 HB3 GLU 84 2HB GLU 84 9.897 15.976 4.999 611 HG2 GLU 84 1HG GLU 84 11.568 15.679 6.434 612 HG3 GLU 84 2HG GLU 84 11.651 14.099 5.669 613 H THR 85 H THR 85 10.359 15.883 1.314 614 HA THR 85 HA THR 85 7.828 17.188 1.361 615 HB THR 85 HB THR 85 9.661 16.467 -0.944 616 HG1 THR 85 1HG THR 85 10.760 18.108 -0.392 617 HG21 THR 85 3HG2 THR 85 8.503 18.276 -2.210 618 HG22 THR 85 1HG2 THR 85 7.313 17.056 -1.743 619 HG23 THR 85 2HG2 THR 85 7.418 18.571 -0.834 620 H MET 86 H MET 86 8.940 14.387 -0.649 621 HA MET 86 HA MET 86 6.343 13.787 -1.627 622 HB2 MET 86 1HB MET 86 8.860 12.139 -1.359 623 HB3 MET 86 2HB MET 86 7.457 11.568 -2.225 624 HG2 MET 86 1HG MET 86 7.614 13.268 -3.886 625 HG3 MET 86 2HG MET 86 8.670 14.265 -2.896 626 HE1 MET 86 3HE MET 86 8.490 11.354 -5.472 627 HE2 MET 86 1HE MET 86 10.066 10.575 -5.281 628 HE3 MET 86 2HE MET 86 8.849 10.417 -3.995 629 H ALA 87 H ALA 87 8.212 12.431 1.142 630 HA ALA 87 HA ALA 87 6.313 10.453 1.913 631 HB1 ALA 87 1HB ALA 87 7.397 10.611 4.133 632 HB2 ALA 87 2HB ALA 87 8.578 10.497 2.827 633 HB3 ALA 87 3HB ALA 87 8.280 12.065 3.607 634 H GLN 88 H GLN 88 6.598 13.957 2.873 635 HA GLN 88 HA GLN 88 4.294 13.773 4.603 636 HB2 GLN 88 1HB GLN 88 5.942 15.417 5.044 637 HB3 GLN 88 2HB GLN 88 5.955 16.009 3.395 638 HG2 GLN 88 1HG GLN 88 4.914 17.604 4.869 639 HG3 GLN 88 2HG GLN 88 3.774 17.020 3.657 640 HE21 GLN 88 2HE2 GLN 88 1.850 16.079 4.396 641 HE22 GLN 88 1HE2 GLN 88 1.510 15.780 6.093 642 H GLN 89 H GLN 89 4.747 14.625 1.150 643 HA GLN 89 HA GLN 89 2.139 15.673 0.562 644 HB2 GLN 89 1HB GLN 89 4.172 14.163 -1.109 645 HB3 GLN 89 2HB GLN 89 2.598 14.617 -1.716 646 HG2 GLN 89 1HG GLN 89 3.077 16.999 -1.089 647 HG3 GLN 89 2HG GLN 89 4.723 16.541 -0.695 648 HE21 GLN 89 2HE2 GLN 89 2.451 17.048 -3.116 649 HE22 GLN 89 1HE2 GLN 89 3.406 16.833 -4.554 650 H LEU 90 H LEU 90 3.387 12.289 0.288 651 HA LEU 90 HA LEU 90 1.000 11.002 -0.284 652 HG LEU 90 HG LEU 90 2.273 9.752 -1.520 653 HB2 LEU 90 1HB LEU 90 3.719 10.293 1.017 654 HB3 LEU 90 2HB LEU 90 2.440 9.112 0.913 655 HD11 LEU 90 1HD1 LEU 90 3.741 10.239 -2.819 656 HD12 LEU 90 2HD1 LEU 90 3.560 11.576 -1.687 657 HD13 LEU 90 3HD1 LEU 90 5.011 10.515 -1.560 658 HD21 LEU 90 3HD2 LEU 90 3.862 7.966 -2.166 659 HD22 LEU 90 1HD2 LEU 90 4.802 8.260 -0.679 660 HD23 LEU 90 2HD2 LEU 90 3.205 7.504 -0.576 661 H VAL 91 H VAL 91 2.548 11.330 2.919 662 HA VAL 91 HA VAL 91 0.440 10.089 4.284 663 HB VAL 91 HB VAL 91 2.807 11.313 5.099 664 HG11 VAL 91 1HG1 VAL 91 0.526 12.589 6.643 665 HG12 VAL 91 2HG1 VAL 91 2.266 12.668 7.043 666 HG13 VAL 91 3HG1 VAL 91 1.673 13.455 5.572 667 HG21 VAL 91 3HG2 VAL 91 0.601 10.143 6.835 668 HG22 VAL 91 1HG2 VAL 91 1.805 9.212 5.946 669 HG23 VAL 91 2HG2 VAL 91 2.326 10.280 7.254 670 H ASP 92 H ASP 92 0.673 13.454 3.142 671 HA ASP 92 HA ASP 92 -1.713 14.302 4.475 672 HB2 ASP 92 1HB ASP 92 0.341 15.619 3.143 673 HB3 ASP 92 2HB ASP 92 -0.972 15.835 2.023 674 H ILE 93 H ILE 93 -1.116 12.686 1.413 675 HA ILE 93 HA ILE 93 -3.748 13.137 0.342 676 HB ILE 93 HB ILE 93 -1.775 10.959 -0.391 677 HG12 ILE 93 1HG1 ILE 93 -1.918 13.827 -0.993 678 HG13 ILE 93 2HG1 ILE 93 -0.631 12.651 -1.275 679 HG21 ILE 93 1HG2 ILE 93 -4.043 10.282 -0.981 680 HG22 ILE 93 2HG2 ILE 93 -4.359 11.860 -1.710 681 HG23 ILE 93 3HG2 ILE 93 -3.203 10.728 -2.454 682 HD11 ILE 93 3HD1 ILE 93 -1.598 12.039 -3.409 683 HD12 ILE 93 1HD1 ILE 93 -2.988 13.129 -3.122 684 HD13 ILE 93 2HD1 ILE 93 -1.382 13.804 -3.307 685 H ILE 94 H ILE 94 -2.306 10.477 2.333 686 HA ILE 94 HA ILE 94 -4.777 8.939 2.142 687 HB ILE 94 HB ILE 94 -2.567 7.843 2.420 688 HG12 ILE 94 1HG1 ILE 94 -3.492 6.327 4.385 689 HG13 ILE 94 2HG1 ILE 94 -4.966 7.294 4.176 690 HG21 ILE 94 1HG2 ILE 94 -1.495 7.619 4.551 691 HG22 ILE 94 2HG2 ILE 94 -1.514 9.304 4.045 692 HG23 ILE 94 3HG2 ILE 94 -2.640 8.739 5.304 693 HD11 ILE 94 3HD1 ILE 94 -3.469 5.669 2.097 694 HD12 ILE 94 1HD1 ILE 94 -4.995 5.231 2.881 695 HD13 ILE 94 2HD1 ILE 94 -4.951 6.616 1.759 696 H HIS 95 H HIS 95 -3.273 11.171 4.537 697 HA HIS 95 HA HIS 95 -5.459 11.006 6.377 698 HD1 HIS 95 HD1 HIS 95 -1.907 13.666 7.972 699 HD2 HIS 95 HD2 HIS 95 -3.428 9.828 7.146 700 HE1 HIS 95 HE1 HIS 95 -0.466 11.947 9.354 701 HE2 HIS 95 HE2 HIS 95 -1.422 9.611 8.763 702 HB2 HIS 95 1HB HIS 95 -3.556 13.301 5.728 703 HB3 HIS 95 2HB HIS 95 -4.670 13.281 7.082 704 H GLY 96 H GLY 96 -5.080 12.756 3.316 705 HA2 GLY 96 1HA GLY 96 -7.341 14.483 3.570 706 HA3 GLY 96 2HA GLY 96 -6.596 13.913 2.068 707 H CYS 97 H CYS 97 -6.869 11.381 1.897 708 HA CYS 97 HA CYS 97 -9.554 10.981 1.123 709 HB2 CYS 97 1HB CYS 97 -7.068 9.278 1.296 710 HB3 CYS 97 2HB CYS 97 -8.609 8.532 0.893 711 H GLU 98 H GLU 98 -7.814 9.788 4.056 712 HA GLU 98 HA GLU 98 -9.760 7.867 4.674 713 HB2 GLU 98 1HB GLU 98 -8.616 7.472 6.647 714 HB3 GLU 98 2HB GLU 98 -7.348 8.054 5.547 715 HG2 GLU 98 1HG GLU 98 -7.531 10.260 6.468 716 HG3 GLU 98 2HG GLU 98 -8.831 9.713 7.513 717 H LYS 99 H LYS 99 -9.574 11.271 5.360 718 HA LYS 99 HA LYS 99 -11.877 11.336 7.164 719 HB2 LYS 99 1HB LYS 99 -10.143 13.423 5.936 720 HB3 LYS 99 2HB LYS 99 -11.803 13.889 6.346 721 HG2 LYS 99 1HG LYS 99 -10.510 14.374 8.260 722 HG3 LYS 99 2HG LYS 99 -11.472 12.961 8.655 723 HD2 LYS 99 1HD LYS 99 -9.592 11.745 9.123 724 HD3 LYS 99 2HD LYS 99 -8.952 12.071 7.515 725 HE2 LYS 99 1HE LYS 99 -7.329 13.053 8.665 726 HE3 LYS 99 2HE LYS 99 -8.421 14.423 8.418 727 HZ1 LYS 99 3HZ LYS 99 -9.312 13.838 10.708 728 HZ2 LYS 99 1HZ LYS 99 -8.083 12.777 10.838 729 HZ3 LYS 99 2HZ LYS 99 -7.730 14.375 10.710 730 H SER 100 H SER 100 -11.307 12.428 3.809 731 HA SER 100 HA SER 100 -13.923 13.030 3.035 732 HG SER 100 HG SER 100 -11.137 14.510 1.412 733 HB2 SER 100 1HB SER 100 -11.354 12.271 1.587 734 HB3 SER 100 2HB SER 100 -12.779 12.887 0.771 735 H ALA 101 H ALA 101 -13.137 9.968 3.856 736 HA ALA 101 HA ALA 101 -13.681 8.472 1.605 737 HB1 ALA 101 1HB ALA 101 -14.111 7.807 4.565 738 HB2 ALA 101 2HB ALA 101 -13.640 6.645 3.306 739 HB3 ALA 101 3HB ALA 101 -12.507 7.886 3.832 740 HA PRO 102 HA PRO 102 -18.127 8.538 1.474 741 HB2 PRO 102 1HB PRO 102 -18.867 5.981 0.816 742 HB3 PRO 102 2HB PRO 102 -17.981 7.056 -0.302 743 HG2 PRO 102 1HG PRO 102 -16.914 4.829 1.434 744 HG3 PRO 102 2HG PRO 102 -16.452 5.226 -0.240 745 HD2 PRO 102 1HD PRO 102 -15.061 5.943 2.021 746 HD3 PRO 102 2HD PRO 102 -14.914 6.896 0.524 747 HA PRO 103 HA PRO 103 -19.712 7.092 5.408 748 HB2 PRO 103 1HB PRO 103 -22.343 6.652 5.022 749 HB3 PRO 103 2HB PRO 103 -21.652 8.316 5.076 750 HG2 PRO 103 1HG PRO 103 -22.381 6.684 2.640 751 HG3 PRO 103 2HG PRO 103 -22.665 8.424 2.931 752 HD2 PRO 103 1HD PRO 103 -20.557 7.480 1.441 753 HD3 PRO 103 2HD PRO 103 -20.426 8.967 2.418 754 H ASN 104 H ASN 104 -18.544 5.174 5.566 755 HA ASN 104 HA ASN 104 -19.912 2.691 5.237 756 HB2 ASN 104 1HB ASN 104 -19.248 3.023 2.888 757 HB3 ASN 104 2HB ASN 104 -17.621 3.506 3.367 758 HD21 ASN 104 2HD2 ASN 104 -16.657 1.794 2.005 759 HD22 ASN 104 1HD2 ASN 104 -17.006 0.134 2.409 760 H ASP 105 H ASP 105 -19.108 1.847 7.232 761 HA ASP 105 HA ASP 105 -16.255 2.345 7.805 762 HB2 ASP 105 1HB ASP 105 -16.531 2.821 9.922 763 HB3 ASP 105 2HB ASP 105 -18.190 3.223 9.488 764 H ASP 106 H ASP 106 -15.044 0.602 7.550 765 HA ASP 106 HA ASP 106 -15.574 -1.949 8.630 766 HB2 ASP 106 1HB ASP 106 -16.861 -1.766 6.174 767 HB3 ASP 106 2HB ASP 106 -15.224 -2.084 5.654 768 H LYS 107 H LYS 107 -13.677 -3.365 7.931 769 HA LYS 107 HA LYS 107 -11.270 -1.618 7.512 770 HB2 LYS 107 1HB LYS 107 -9.997 -3.457 8.419 771 HB3 LYS 107 2HB LYS 107 -11.316 -2.768 9.364 772 HG2 LYS 107 1HG LYS 107 -12.678 -4.578 9.360 773 HG3 LYS 107 2HG LYS 107 -11.866 -5.257 7.942 774 HD2 LYS 107 1HD LYS 107 -9.880 -5.759 9.271 775 HD3 LYS 107 2HD LYS 107 -10.522 -4.845 10.654 776 HE2 LYS 107 1HE LYS 107 -12.367 -6.399 10.900 777 HE3 LYS 107 2HE LYS 107 -11.835 -7.341 9.499 778 HZ1 LYS 107 3HZ LYS 107 -11.125 -8.307 11.609 779 HZ2 LYS 107 1HZ LYS 107 -9.807 -7.861 10.712 780 HZ3 LYS 107 2HZ LYS 107 -10.279 -6.962 11.986 781 H CYS 108 H CYS 108 -13.033 -4.077 6.110 782 HA CYS 108 HA CYS 108 -10.924 -4.378 4.061 783 HB2 CYS 108 1HB CYS 108 -13.408 -6.093 4.249 784 HB3 CYS 108 2HB CYS 108 -12.064 -6.260 3.130 785 H MET 109 H MET 109 -13.840 -2.643 4.561 786 HA MET 109 HA MET 109 -14.239 -2.409 1.663 787 HB2 MET 109 1HB MET 109 -16.213 -1.517 3.768 788 HB3 MET 109 2HB MET 109 -16.457 -1.528 2.035 789 HG2 MET 109 1HG MET 109 -15.772 -4.119 3.404 790 HG3 MET 109 2HG MET 109 -17.371 -3.441 3.601 791 HE1 MET 109 3HE MET 109 -14.862 -4.135 0.523 792 HE2 MET 109 1HE MET 109 -16.077 -4.264 -0.771 793 HE3 MET 109 2HE MET 109 -15.846 -2.719 0.061 794 H LYS 110 H LYS 110 -14.491 -0.108 4.474 795 HA LYS 110 HA LYS 110 -14.028 2.245 3.066 796 HB2 LYS 110 1HB LYS 110 -14.622 2.310 5.397 797 HB3 LYS 110 2HB LYS 110 -13.211 1.343 5.806 798 HG2 LYS 110 1HG LYS 110 -11.718 3.237 5.189 799 HG3 LYS 110 2HG LYS 110 -13.144 4.256 5.023 800 HD2 LYS 110 1HD LYS 110 -12.445 2.657 7.546 801 HD3 LYS 110 2HD LYS 110 -11.793 4.250 7.215 802 HE2 LYS 110 1HE LYS 110 -14.396 4.837 6.935 803 HE3 LYS 110 2HE LYS 110 -14.579 3.419 7.982 804 HZ1 LYS 110 3HZ LYS 110 -12.925 4.559 9.472 805 HZ2 LYS 110 1HZ LYS 110 -13.045 5.876 8.500 806 HZ3 LYS 110 2HZ LYS 110 -14.370 5.353 9.340 807 H THR 111 H THR 111 -11.465 -0.027 4.280 808 HA THR 111 HA THR 111 -9.299 1.551 3.507 809 HB THR 111 HB THR 111 -9.643 -1.458 3.632 810 HG1 THR 111 1HG THR 111 -8.377 0.226 5.510 811 HG21 THR 111 3HG2 THR 111 -7.195 -1.591 4.007 812 HG22 THR 111 1HG2 THR 111 -7.592 -1.051 2.367 813 HG23 THR 111 2HG2 THR 111 -7.042 0.131 3.576 814 H ILE 112 H ILE 112 -11.376 -0.470 1.384 815 HA ILE 112 HA ILE 112 -9.573 -0.316 -0.866 816 HB ILE 112 HB ILE 112 -12.576 -0.862 -0.611 817 HG12 ILE 112 1HG1 ILE 112 -10.177 -2.644 -1.173 818 HG13 ILE 112 2HG1 ILE 112 -11.088 -2.546 0.317 819 HG21 ILE 112 1HG2 ILE 112 -12.536 -1.570 -2.997 820 HG22 ILE 112 2HG2 ILE 112 -12.388 0.154 -2.742 821 HG23 ILE 112 3HG2 ILE 112 -10.945 -0.779 -3.148 822 HD11 ILE 112 3HD1 ILE 112 -13.125 -3.365 -0.859 823 HD12 ILE 112 1HD1 ILE 112 -12.144 -3.636 -2.315 824 HD13 ILE 112 2HD1 ILE 112 -11.771 -4.516 -0.839 825 H ASP 113 H ASP 113 -12.296 1.589 0.382 826 HA ASP 113 HA ASP 113 -12.514 3.358 -1.813 827 HB2 ASP 113 1HB ASP 113 -13.363 3.752 1.087 828 HB3 ASP 113 2HB ASP 113 -13.843 4.759 -0.277 829 H VAL 114 H VAL 114 -10.948 3.857 1.405 830 HA VAL 114 HA VAL 114 -9.772 6.358 0.754 831 HB VAL 114 HB VAL 114 -9.091 4.296 2.884 832 HG11 VAL 114 1HG1 VAL 114 -8.095 6.221 4.185 833 HG12 VAL 114 2HG1 VAL 114 -7.179 5.853 2.714 834 HG13 VAL 114 3HG1 VAL 114 -8.269 7.249 2.767 835 HG21 VAL 114 3HG2 VAL 114 -10.371 5.798 4.372 836 HG22 VAL 114 1HG2 VAL 114 -10.732 6.846 2.988 837 HG23 VAL 114 2HG2 VAL 114 -11.393 5.197 3.061 838 H ALA 115 H ALA 115 -8.550 2.990 0.234 839 HA ALA 115 HA ALA 115 -5.959 3.805 -0.590 840 HB1 ALA 115 1HB ALA 115 -6.415 1.494 0.063 841 HB2 ALA 115 2HB ALA 115 -7.512 1.290 -1.324 842 HB3 ALA 115 3HB ALA 115 -5.770 1.554 -1.580 843 H MET 116 H MET 116 -8.890 2.982 -2.549 844 HA MET 116 HA MET 116 -7.514 3.625 -4.997 845 HB2 MET 116 1HB MET 116 -9.507 3.244 -6.126 846 HB3 MET 116 2HB MET 116 -9.493 2.081 -4.825 847 HG2 MET 116 1HG MET 116 -11.415 2.913 -3.922 848 HG3 MET 116 2HG MET 116 -10.941 4.569 -4.112 849 HE1 MET 116 3HE MET 116 -12.739 1.517 -5.698 850 HE2 MET 116 1HE MET 116 -13.061 2.054 -7.360 851 HE3 MET 116 2HE MET 116 -11.400 1.669 -6.866 852 H CYS 117 H CYS 117 -9.358 5.505 -2.664 853 HA CYS 117 HA CYS 117 -9.721 7.870 -4.117 854 HB2 CYS 117 1HB CYS 117 -10.779 7.514 -1.968 855 HB3 CYS 117 2HB CYS 117 -9.232 7.371 -1.160 856 H PHE 118 H PHE 118 -6.931 6.766 -2.067 857 HA PHE 118 HA PHE 118 -5.268 8.955 -2.305 858 HD1 PHE 118 HD2 PHE 118 -2.209 6.661 -3.683 859 HD2 PHE 118 HD1 PHE 118 -3.296 8.078 0.244 860 HE1 PHE 118 HE2 PHE 118 0.183 7.063 -3.125 861 HE2 PHE 118 HE1 PHE 118 -0.918 8.485 0.744 862 HZ PHE 118 HZ PHE 118 0.839 8.173 -1.042 863 HB2 PHE 118 1HB PHE 118 -4.866 6.804 -1.029 864 HB3 PHE 118 2HB PHE 118 -4.384 6.040 -2.528 865 H LYS 119 H LYS 119 -5.400 6.205 -4.677 866 HA LYS 119 HA LYS 119 -3.627 7.474 -6.513 867 HB2 LYS 119 1HB LYS 119 -4.253 5.065 -6.464 868 HB3 LYS 119 2HB LYS 119 -5.821 5.496 -7.177 869 HG2 LYS 119 1HG LYS 119 -4.735 6.338 -9.190 870 HG3 LYS 119 2HG LYS 119 -3.126 6.105 -8.490 871 HD2 LYS 119 1HD LYS 119 -5.133 3.878 -9.036 872 HD3 LYS 119 2HD LYS 119 -3.874 4.332 -10.164 873 HE2 LYS 119 1HE LYS 119 -3.149 3.591 -7.307 874 HE3 LYS 119 2HE LYS 119 -3.484 2.336 -8.494 875 HZ1 LYS 119 3HZ LYS 119 -1.105 2.928 -8.388 876 HZ2 LYS 119 1HZ LYS 119 -1.759 3.138 -9.880 877 HZ3 LYS 119 2HZ LYS 119 -1.450 4.439 -8.942 878 H LYS 120 H LYS 120 -7.135 8.048 -6.080 879 HA LYS 120 HA LYS 120 -7.323 9.553 -8.601 880 HB2 LYS 120 1HB LYS 120 -9.146 9.136 -6.222 881 HB3 LYS 120 2HB LYS 120 -9.356 10.568 -7.225 882 HG2 LYS 120 1HG LYS 120 -10.816 8.876 -8.068 883 HG3 LYS 120 2HG LYS 120 -9.541 9.185 -9.248 884 HD2 LYS 120 1HD LYS 120 -8.364 7.084 -8.411 885 HD3 LYS 120 2HD LYS 120 -9.749 6.822 -7.338 886 HE2 LYS 120 1HE LYS 120 -9.935 5.431 -9.322 887 HE3 LYS 120 2HE LYS 120 -11.241 6.624 -9.271 888 HZ1 LYS 120 3HZ LYS 120 -8.787 7.016 -10.896 889 HZ2 LYS 120 1HZ LYS 120 -10.171 6.342 -11.470 890 HZ3 LYS 120 2HZ LYS 120 -10.195 7.877 -10.923 891 H GLU 121 H GLU 121 -6.539 10.299 -5.143 892 HA GLU 121 HA GLU 121 -6.470 13.147 -5.693 893 HB2 GLU 121 1HB GLU 121 -5.815 11.366 -3.336 894 HB3 GLU 121 2HB GLU 121 -5.337 13.061 -3.350 895 HG2 GLU 121 1HG GLU 121 -7.996 13.179 -4.171 896 HG3 GLU 121 2HG GLU 121 -8.037 11.824 -3.082 897 H ILE 122 H ILE 122 -4.124 10.504 -5.867 898 HA ILE 122 HA ILE 122 -1.760 11.906 -6.029 899 HB ILE 122 HB ILE 122 -2.801 9.448 -7.457 900 HG12 ILE 122 1HG1 ILE 122 -0.965 10.017 -5.154 901 HG13 ILE 122 2HG1 ILE 122 -2.343 8.996 -5.202 902 HG21 ILE 122 1HG2 ILE 122 -0.693 8.860 -8.398 903 HG22 ILE 122 2HG2 ILE 122 -1.234 10.382 -9.076 904 HG23 ILE 122 3HG2 ILE 122 0.042 10.380 -7.822 905 HD11 ILE 122 3HD1 ILE 122 -1.156 7.324 -6.612 906 HD12 ILE 122 1HD1 ILE 122 0.337 8.296 -6.401 907 HD13 ILE 122 2HD1 ILE 122 -0.443 7.577 -5.016 908 H HIS 123 H HIS 123 -4.421 12.133 -8.353 909 HA HIS 123 HA HIS 123 -3.091 13.139 -10.629 910 HD1 HIS 123 HD1 HIS 123 -6.447 13.421 -12.758 911 HD2 HIS 123 HD2 HIS 123 -5.294 10.701 -9.734 912 HE1 HIS 123 HE1 HIS 123 -7.229 11.116 -13.504 913 HE2 HIS 123 HE2 HIS 123 -6.564 9.448 -11.648 914 HB2 HIS 123 1HB HIS 123 -5.728 13.853 -9.291 915 HB3 HIS 123 2HB HIS 123 -5.199 14.497 -10.834 916 H LYS 124 H LYS 124 -3.845 14.742 -7.444 917 HA LYS 124 HA LYS 124 -3.264 17.370 -8.526 918 HB2 LYS 124 1HB LYS 124 -3.777 18.220 -6.462 919 HB3 LYS 124 2HB LYS 124 -4.840 16.837 -6.695 920 HG2 LYS 124 1HG LYS 124 -2.870 15.603 -5.319 921 HG3 LYS 124 2HG LYS 124 -2.570 17.254 -4.763 922 HD2 LYS 124 1HD LYS 124 -5.277 17.186 -4.498 923 HD3 LYS 124 2HD LYS 124 -4.944 15.462 -4.379 924 HE2 LYS 124 1HE LYS 124 -4.996 16.248 -2.162 925 HE3 LYS 124 2HE LYS 124 -3.276 16.036 -2.493 926 HZ1 LYS 124 3HZ LYS 124 -3.011 18.371 -2.615 927 HZ2 LYS 124 1HZ LYS 124 -4.629 18.652 -2.815 928 HZ3 LYS 124 2HZ LYS 124 -4.064 18.135 -1.373 929 H LEU 125 H LEU 125 -1.278 14.778 -7.309 930 HA LEU 125 HA LEU 125 1.037 16.386 -6.568 931 HG LEU 125 HG LEU 125 -0.461 13.764 -5.425 932 HB2 LEU 125 1HB LEU 125 0.966 13.487 -7.539 933 HB3 LEU 125 2HB LEU 125 2.234 14.276 -6.690 934 HD11 LEU 125 1HD1 LEU 125 2.164 12.223 -5.192 935 HD12 LEU 125 2HD1 LEU 125 0.683 11.940 -4.249 936 HD13 LEU 125 3HD1 LEU 125 0.695 11.651 -5.999 937 HD21 LEU 125 3HD2 LEU 125 0.796 15.598 -4.348 938 HD22 LEU 125 1HD2 LEU 125 0.848 14.160 -3.324 939 HD23 LEU 125 2HD2 LEU 125 2.259 14.575 -4.295 940 H ASN 126 H ASN 126 -0.192 14.711 -9.417 941 HA ASN 126 HA ASN 126 0.231 14.739 -11.581 942 HB2 ASN 126 1HB ASN 126 2.384 16.825 -11.471 943 HB3 ASN 126 2HB ASN 126 1.222 16.509 -12.753 944 HD21 ASN 126 2HD2 ASN 126 -1.123 16.686 -10.637 945 HD22 ASN 126 1HD2 ASN 126 -0.987 18.342 -10.080 946 H TRP 127 H TRP 127 2.675 14.198 -9.341 947 HA TRP 127 HA TRP 127 4.418 12.820 -11.289 948 HD1 TRP 127 HD1 TRP 127 4.363 15.451 -7.577 949 HE1 TRP 127 HE1 TRP 127 4.496 14.856 -5.087 950 HE3 TRP 127 HE3 TRP 127 6.235 10.681 -7.898 951 HZ2 TRP 127 HZ2 TRP 127 4.508 12.327 -3.516 952 HZ3 TRP 127 HZ3 TRP 127 6.694 9.448 -5.810 953 HH2 TRP 127 HH2 TRP 127 5.688 10.157 -3.674 954 HB2 TRP 127 1HB TRP 127 6.075 12.696 -9.573 955 HB3 TRP 127 2HB TRP 127 5.535 14.346 -9.723 956 H VAL 128 H VAL 128 5.279 10.666 -10.167 957 HA VAL 128 HA VAL 128 2.974 9.146 -9.121 958 HB VAL 128 HB VAL 128 2.962 8.955 -11.418 959 HG11 VAL 128 1HG1 VAL 128 5.625 7.566 -11.210 960 HG12 VAL 128 2HG1 VAL 128 4.579 7.562 -12.648 961 HG13 VAL 128 3HG1 VAL 128 5.212 9.100 -12.046 962 HG21 VAL 128 3HG2 VAL 128 3.637 6.322 -10.027 963 HG22 VAL 128 1HG2 VAL 128 2.073 7.162 -9.930 964 HG23 VAL 128 2HG2 VAL 128 2.637 6.504 -11.472 965 HA PRO 129 HA PRO 129 6.249 7.662 -6.481 966 HB2 PRO 129 1HB PRO 129 4.351 6.248 -4.842 967 HB3 PRO 129 2HB PRO 129 5.259 7.754 -4.495 968 HG2 PRO 129 1HG PRO 129 2.471 7.596 -4.917 969 HG3 PRO 129 2HG PRO 129 3.479 9.066 -4.970 970 HD2 PRO 129 1HD PRO 129 2.458 7.397 -7.224 971 HD3 PRO 129 2HD PRO 129 2.741 9.167 -7.105 972 H ASN 130 H ASN 130 7.379 5.861 -6.366 973 HA ASN 130 HA ASN 130 7.188 3.515 -7.794 974 HB2 ASN 130 1HB ASN 130 8.041 3.775 -4.861 975 HB3 ASN 130 2HB ASN 130 8.256 2.321 -5.826 976 HD21 ASN 130 2HD2 ASN 130 9.505 5.534 -5.262 977 HD22 ASN 130 1HD2 ASN 130 10.856 5.378 -6.361 978 H MET 131 H MET 131 6.143 1.467 -7.542 979 HA MET 131 HA MET 131 3.656 1.336 -6.236 980 HB2 MET 131 1HB MET 131 3.726 -1.050 -6.530 981 HB3 MET 131 2HB MET 131 4.301 -0.265 -7.980 982 HG2 MET 131 1HG MET 131 6.340 -1.228 -7.865 983 HG3 MET 131 2HG MET 131 6.522 -0.945 -6.150 984 HE1 MET 131 3HE MET 131 5.954 -2.501 -4.289 985 HE2 MET 131 1HE MET 131 4.252 -2.292 -4.732 986 HE3 MET 131 2HE MET 131 4.893 -3.927 -4.424 987 H ASP 132 H ASP 132 6.875 1.029 -4.859 988 HA ASP 132 HA ASP 132 6.073 -0.262 -2.407 989 HB2 ASP 132 1HB ASP 132 8.425 1.640 -2.704 990 HB3 ASP 132 2HB ASP 132 8.217 0.330 -1.542 991 H LEU 133 H LEU 133 6.816 3.144 -3.238 992 HA LEU 133 HA LEU 133 6.162 4.327 -0.833 993 HG LEU 133 HG LEU 133 8.257 5.027 -2.464 994 HB2 LEU 133 1HB LEU 133 5.993 5.273 -3.700 995 HB3 LEU 133 2HB LEU 133 5.528 6.345 -2.386 996 HD11 LEU 133 1HD1 LEU 133 7.914 6.353 -4.558 997 HD12 LEU 133 2HD1 LEU 133 7.522 7.769 -3.578 998 HD13 LEU 133 3HD1 LEU 133 9.141 7.063 -3.491 999 HD21 LEU 133 3HD2 LEU 133 7.285 7.625 -1.159 1000 HD22 LEU 133 1HD2 LEU 133 7.461 6.099 -0.301 1001 HD23 LEU 133 2HD2 LEU 133 8.888 6.867 -1.002 1002 H VAL 134 H VAL 134 3.957 3.670 -3.592 1003 HA VAL 134 HA VAL 134 1.655 4.903 -2.493 1004 HB VAL 134 HB VAL 134 1.944 2.560 -4.436 1005 HG11 VAL 134 1HG1 VAL 134 -0.305 2.545 -3.558 1006 HG12 VAL 134 2HG1 VAL 134 -0.488 4.285 -3.815 1007 HG13 VAL 134 3HG1 VAL 134 -0.355 3.177 -5.205 1008 HG21 VAL 134 3HG2 VAL 134 1.546 5.547 -4.876 1009 HG22 VAL 134 1HG2 VAL 134 2.968 4.576 -5.325 1010 HG23 VAL 134 2HG2 VAL 134 1.441 4.319 -6.148 1011 H ILE 135 H ILE 135 2.790 1.498 -2.170 1012 HA ILE 135 HA ILE 135 0.439 0.757 -0.628 1013 HB ILE 135 HB ILE 135 3.065 -0.665 -1.176 1014 HG12 ILE 135 1HG1 ILE 135 0.332 -1.114 -2.405 1015 HG13 ILE 135 2HG1 ILE 135 1.584 -0.162 -3.185 1016 HG21 ILE 135 1HG2 ILE 135 0.442 -1.712 0.013 1017 HG22 ILE 135 2HG2 ILE 135 1.785 -2.754 -0.490 1018 HG23 ILE 135 3HG2 ILE 135 2.009 -1.624 0.840 1019 HD11 ILE 135 3HD1 ILE 135 3.046 -2.340 -2.892 1020 HD12 ILE 135 1HD1 ILE 135 1.450 -3.122 -2.773 1021 HD13 ILE 135 2HD1 ILE 135 1.872 -2.203 -4.220 1022 H GLY 136 H GLY 136 3.889 1.436 0.128 1023 HA2 GLY 136 1HA GLY 136 3.999 0.957 2.838 1024 HA3 GLY 136 2HA GLY 136 4.841 2.289 2.032 1025 H GLU 137 H GLU 137 2.474 3.825 1.250 1026 HA GLU 137 HA GLU 137 2.138 5.201 3.738 1027 HB2 GLU 137 1HB GLU 137 1.901 5.923 1.065 1028 HB3 GLU 137 2HB GLU 137 0.213 5.871 1.558 1029 HG2 GLU 137 1HG GLU 137 1.036 8.086 1.999 1030 HG3 GLU 137 2HG GLU 137 0.764 7.312 3.524 1031 H VAL 138 H VAL 138 -0.304 3.487 1.702 1032 HA VAL 138 HA VAL 138 -2.357 3.594 3.541 1033 HB VAL 138 HB VAL 138 -2.230 2.662 1.099 1034 HG11 VAL 138 1HG1 VAL 138 -2.138 0.019 2.547 1035 HG12 VAL 138 2HG1 VAL 138 -2.704 0.267 0.880 1036 HG13 VAL 138 3HG1 VAL 138 -1.039 0.614 1.278 1037 HG21 VAL 138 3HG2 VAL 138 -4.252 3.133 2.463 1038 HG22 VAL 138 1HG2 VAL 138 -4.463 1.774 1.352 1039 HG23 VAL 138 2HG2 VAL 138 -4.188 1.485 3.087 1040 H LEU 139 H LEU 139 0.088 0.996 3.407 1041 HA LEU 139 HA LEU 139 -0.540 -0.520 5.626 1042 HG LEU 139 HG LEU 139 0.849 -2.353 5.088 1043 HB2 LEU 139 1HB LEU 139 1.923 0.221 4.030 1044 HB3 LEU 139 2HB LEU 139 2.203 -0.522 5.579 1045 HD11 LEU 139 1HD1 LEU 139 0.195 -1.117 2.429 1046 HD12 LEU 139 2HD1 LEU 139 0.020 -2.847 2.712 1047 HD13 LEU 139 3HD1 LEU 139 -0.907 -1.706 3.690 1048 HD21 LEU 139 3HD2 LEU 139 2.288 -3.384 3.229 1049 HD22 LEU 139 1HD2 LEU 139 2.913 -1.750 2.933 1050 HD23 LEU 139 2HD2 LEU 139 3.193 -2.535 4.494 1051 H ALA 140 H ALA 140 1.050 2.554 5.589 1052 HA ALA 140 HA ALA 140 1.830 2.449 8.415 1053 HB1 ALA 140 1HB ALA 140 2.429 4.846 8.068 1054 HB2 ALA 140 2HB ALA 140 3.195 3.759 6.891 1055 HB3 ALA 140 3HB ALA 140 1.796 4.758 6.425 1056 H GLU 141 H GLU 141 -0.818 3.919 6.529 1057 HA GLU 141 HA GLU 141 -1.887 5.382 8.800 1058 HB2 GLU 141 1HB GLU 141 -2.046 6.043 6.405 1059 HB3 GLU 141 2HB GLU 141 -3.133 4.704 6.094 1060 HG2 GLU 141 1HG GLU 141 -3.734 6.922 8.099 1061 HG3 GLU 141 2HG GLU 141 -4.108 7.089 6.396 1062 H VAL 142 H VAL 142 -2.892 2.450 7.029 1063 HA VAL 142 HA VAL 142 -5.252 1.938 8.434 1064 HB VAL 142 HB VAL 142 -3.378 0.244 6.707 1065 HG11 VAL 142 1HG1 VAL 142 -5.377 -1.288 6.420 1066 HG12 VAL 142 2HG1 VAL 142 -4.604 -1.390 8.020 1067 HG13 VAL 142 3HG1 VAL 142 -6.131 -0.498 7.822 1068 HG21 VAL 142 3HG2 VAL 142 -4.601 2.167 5.641 1069 HG22 VAL 142 1HG2 VAL 142 -5.107 0.599 5.014 1070 HG23 VAL 142 2HG2 VAL 142 -6.131 1.471 6.177 Start of MODEL 10 1 HA SER 1 HA SER 1 27.950 -5.157 -10.969 2 HG SER 1 HG SER 1 28.724 -8.920 -10.741 3 H1 SER 1 H SER 1 29.368 -6.161 -9.159 4 HB2 SER 1 1HB SER 1 26.848 -7.877 -10.609 5 HB3 SER 1 2HB SER 1 27.704 -7.192 -11.983 6 HA PRO 2 HA PRO 2 23.536 -4.953 -9.743 7 HB2 PRO 2 1HB PRO 2 22.229 -5.397 -12.120 8 HB3 PRO 2 2HB PRO 2 22.949 -3.849 -11.620 9 HG2 PRO 2 1HG PRO 2 24.002 -5.833 -13.595 10 HG3 PRO 2 2HG PRO 2 24.211 -4.060 -13.561 11 HD2 PRO 2 1HD PRO 2 26.033 -6.044 -12.693 12 HD3 PRO 2 2HD PRO 2 26.176 -4.301 -12.355 13 H GLU 3 H GLU 3 23.660 -6.773 -8.442 14 HA GLU 3 HA GLU 3 22.990 -9.442 -9.555 15 HB2 GLU 3 1HB GLU 3 23.748 -8.328 -6.877 16 HB3 GLU 3 2HB GLU 3 22.457 -9.519 -6.826 17 HG2 GLU 3 1HG GLU 3 24.588 -10.605 -6.511 18 HG3 GLU 3 2HG GLU 3 23.826 -11.154 -8.003 19 H ILE 4 H ILE 4 21.524 -6.680 -7.898 20 HA ILE 4 HA ILE 4 19.523 -6.060 -7.269 21 HB ILE 4 HB ILE 4 18.023 -5.670 -9.184 22 HG12 ILE 4 1HG1 ILE 4 20.240 -6.774 -10.967 23 HG13 ILE 4 2HG1 ILE 4 18.949 -7.812 -10.391 24 HG21 ILE 4 1HG2 ILE 4 19.604 -4.089 -10.231 25 HG22 ILE 4 2HG2 ILE 4 19.851 -4.140 -8.481 26 HG23 ILE 4 3HG2 ILE 4 20.983 -4.978 -9.561 27 HD11 ILE 4 3HD1 ILE 4 18.360 -6.896 -12.589 28 HD12 ILE 4 1HD1 ILE 4 17.269 -6.233 -11.346 29 HD13 ILE 4 2HD1 ILE 4 18.594 -5.240 -11.995 30 H MET 5 H MET 5 20.025 -8.464 -6.406 31 HA MET 5 HA MET 5 17.530 -9.997 -6.425 32 HB2 MET 5 1HB MET 5 20.073 -10.297 -4.756 33 HB3 MET 5 2HB MET 5 18.711 -11.433 -4.746 34 HG2 MET 5 1HG MET 5 19.063 -11.876 -7.158 35 HG3 MET 5 2HG MET 5 20.433 -10.759 -7.158 36 HE1 MET 5 3HE MET 5 21.992 -12.502 -8.237 37 HE2 MET 5 1HE MET 5 22.180 -14.168 -7.648 38 HE3 MET 5 2HE MET 5 20.619 -13.619 -8.297 39 H LYS 6 H LYS 6 16.817 -10.478 -3.927 40 HA LYS 6 HA LYS 6 15.648 -9.562 -2.210 41 HB2 LYS 6 1HB LYS 6 18.564 -9.224 -1.456 42 HB3 LYS 6 2HB LYS 6 17.201 -9.171 -0.333 43 HG2 LYS 6 1HG LYS 6 16.551 -11.507 -1.441 44 HG3 LYS 6 2HG LYS 6 18.253 -11.521 -1.916 45 HD2 LYS 6 1HD LYS 6 18.801 -11.063 0.548 46 HD3 LYS 6 2HD LYS 6 17.060 -11.202 0.865 47 HE2 LYS 6 1HE LYS 6 17.155 -13.554 -0.068 48 HE3 LYS 6 2HE LYS 6 18.925 -13.404 -0.072 49 HZ1 LYS 6 3HZ LYS 6 17.101 -13.192 2.235 50 HZ2 LYS 6 1HZ LYS 6 18.162 -14.401 1.986 51 HZ3 LYS 6 2HZ LYS 6 18.716 -12.882 2.345 52 H ASN 7 H ASN 7 14.781 -7.893 -3.552 53 HA ASN 7 HA ASN 7 15.141 -5.426 -2.218 54 HB2 ASN 7 1HB ASN 7 14.901 -4.005 -4.067 55 HB3 ASN 7 2HB ASN 7 16.440 -4.917 -4.059 56 HD21 ASN 7 2HD2 ASN 7 16.416 -6.954 -5.309 57 HD22 ASN 7 1HD2 ASN 7 15.492 -7.008 -6.789 58 H LEU 8 H LEU 8 13.360 -6.336 -1.175 59 HA LEU 8 HA LEU 8 11.205 -6.387 -0.633 60 HG LEU 8 HG LEU 8 9.557 -5.036 -0.109 61 HB2 LEU 8 1HB LEU 8 12.004 -3.950 -1.269 62 HB3 LEU 8 2HB LEU 8 10.799 -4.098 -2.531 63 HD11 LEU 8 1HD1 LEU 8 9.926 -3.344 1.510 64 HD12 LEU 8 2HD1 LEU 8 11.549 -3.820 0.977 65 HD13 LEU 8 3HD1 LEU 8 10.848 -2.335 0.363 66 HD21 LEU 8 3HD2 LEU 8 8.530 -3.807 -1.997 67 HD22 LEU 8 1HD2 LEU 8 8.079 -3.185 -0.394 68 HD23 LEU 8 2HD2 LEU 8 9.255 -2.309 -1.418 69 H SER 9 H SER 9 11.809 -7.815 -3.395 70 HA SER 9 HA SER 9 9.077 -7.986 -4.435 71 HG SER 9 HG SER 9 11.595 -7.111 -5.316 72 HB2 SER 9 1HB SER 9 11.531 -9.605 -5.179 73 HB3 SER 9 2HB SER 9 10.063 -9.354 -6.111 74 H ASN 10 H ASN 10 11.504 -10.248 -3.093 75 HA ASN 10 HA ASN 10 9.812 -12.396 -2.652 76 HB2 ASN 10 1HB ASN 10 11.980 -11.799 -0.622 77 HB3 ASN 10 2HB ASN 10 11.356 -13.339 -1.140 78 HD21 ASN 10 2HD2 ASN 10 13.896 -11.201 -1.385 79 HD22 ASN 10 1HD2 ASN 10 14.686 -11.940 -2.774 80 H ASN 11 H ASN 11 10.357 -9.597 -0.527 81 HA ASN 11 HA ASN 11 9.141 -10.934 1.763 82 HB2 ASN 11 1HB ASN 11 10.060 -8.096 1.392 83 HB3 ASN 11 2HB ASN 11 9.534 -8.808 2.914 84 HD21 ASN 11 2HD2 ASN 11 12.256 -7.988 1.418 85 HD22 ASN 11 1HD2 ASN 11 13.370 -9.247 1.928 86 H PHE 12 H PHE 12 8.202 -8.339 -0.571 87 HA PHE 12 HA PHE 12 5.725 -7.718 0.541 88 HD1 PHE 12 HD1 PHE 12 3.886 -6.715 -0.090 89 HD2 PHE 12 HD2 PHE 12 6.898 -5.128 -2.714 90 HE1 PHE 12 HE1 PHE 12 3.221 -4.398 0.539 91 HE2 PHE 12 HE2 PHE 12 6.176 -2.806 -2.154 92 HZ PHE 12 HZ PHE 12 4.403 -2.439 -0.469 93 HB2 PHE 12 1HB PHE 12 6.981 -7.412 -2.086 94 HB3 PHE 12 2HB PHE 12 5.341 -7.937 -2.327 95 H GLY 13 H GLY 13 6.654 -10.237 -1.872 96 HA2 GLY 13 1HA GLY 13 4.096 -11.467 -2.021 97 HA3 GLY 13 2HA GLY 13 5.633 -12.173 -2.523 98 H LYS 14 H LYS 14 6.657 -11.782 0.434 99 HA LYS 14 HA LYS 14 5.750 -14.403 1.392 100 HB2 LYS 14 1HB LYS 14 7.733 -12.387 2.315 101 HB3 LYS 14 2HB LYS 14 6.799 -13.055 3.631 102 HG2 LYS 14 1HG LYS 14 7.354 -15.375 2.723 103 HG3 LYS 14 2HG LYS 14 8.561 -14.550 1.716 104 HD2 LYS 14 1HD LYS 14 9.849 -15.057 3.567 105 HD3 LYS 14 2HD LYS 14 9.256 -13.452 4.056 106 HE2 LYS 14 1HE LYS 14 7.500 -14.530 5.430 107 HE3 LYS 14 2HE LYS 14 8.004 -16.119 4.832 108 HZ1 LYS 14 3HZ LYS 14 10.159 -15.753 5.945 109 HZ2 LYS 14 1HZ LYS 14 9.570 -14.345 6.609 110 HZ3 LYS 14 2HZ LYS 14 8.912 -15.777 6.971 111 H ALA 15 H ALA 15 5.300 -11.009 2.463 112 HA ALA 15 HA ALA 15 3.398 -11.741 4.449 113 HB1 ALA 15 1HB ALA 15 4.814 -9.631 4.302 114 HB2 ALA 15 2HB ALA 15 3.677 -9.029 3.091 115 HB3 ALA 15 3HB ALA 15 3.146 -9.358 4.765 116 H MET 16 H MET 16 2.967 -10.800 0.984 117 HA MET 16 HA MET 16 0.133 -10.776 1.092 118 HB2 MET 16 1HB MET 16 1.793 -10.120 -0.872 119 HB3 MET 16 2HB MET 16 1.540 -11.787 -1.388 120 HG2 MET 16 1HG MET 16 -0.654 -9.749 -0.807 121 HG3 MET 16 2HG MET 16 -0.053 -10.126 -2.418 122 HE1 MET 16 3HE MET 16 -3.080 -10.551 -2.827 123 HE2 MET 16 1HE MET 16 -3.874 -11.672 -1.660 124 HE3 MET 16 2HE MET 16 -3.116 -10.173 -1.081 125 H ASP 17 H ASP 17 2.440 -13.513 0.515 126 HA ASP 17 HA ASP 17 0.365 -15.394 -0.006 127 HB2 ASP 17 1HB ASP 17 3.117 -15.552 -0.113 128 HB3 ASP 17 2HB ASP 17 2.784 -16.532 1.299 129 H GLN 18 H GLN 18 1.986 -14.476 3.096 130 HA GLN 18 HA GLN 18 0.479 -16.175 4.740 131 HB2 GLN 18 1HB GLN 18 1.942 -13.566 5.064 132 HB3 GLN 18 2HB GLN 18 0.989 -14.203 6.394 133 HG2 GLN 18 1HG GLN 18 3.447 -14.740 6.304 134 HG3 GLN 18 2HG GLN 18 2.338 -16.051 6.719 135 HE21 GLN 18 2HE2 GLN 18 4.987 -15.132 4.908 136 HE22 GLN 18 1HE2 GLN 18 5.025 -16.473 3.767 137 H CYS 19 H CYS 19 -0.515 -13.018 3.316 138 HA CYS 19 HA CYS 19 -3.006 -12.914 4.824 139 HB2 CYS 19 1HB CYS 19 -2.288 -11.665 2.129 140 HB3 CYS 19 2HB CYS 19 -3.741 -11.351 3.049 141 H LYS 20 H LYS 20 -1.998 -14.059 1.595 142 HA LYS 20 HA LYS 20 -4.483 -15.118 0.779 143 HB2 LYS 20 1HB LYS 20 -2.400 -14.481 -0.539 144 HB3 LYS 20 2HB LYS 20 -1.736 -16.028 -0.065 145 HG2 LYS 20 1HG LYS 20 -3.869 -17.072 -1.119 146 HG3 LYS 20 2HG LYS 20 -4.170 -15.443 -1.724 147 HD2 LYS 20 1HD LYS 20 -2.987 -16.540 -3.465 148 HD3 LYS 20 2HD LYS 20 -1.753 -15.543 -2.685 149 HE2 LYS 20 1HE LYS 20 -0.943 -17.431 -1.385 150 HE3 LYS 20 2HE LYS 20 -2.286 -18.442 -1.891 151 HZ1 LYS 20 3HZ LYS 20 -1.410 -18.388 -4.136 152 HZ2 LYS 20 1HZ LYS 20 -0.208 -17.348 -3.673 153 HZ3 LYS 20 2HZ LYS 20 -0.229 -18.876 -3.054 154 H ASP 21 H ASP 21 -2.498 -16.171 3.258 155 HA ASP 21 HA ASP 21 -3.396 -18.990 3.182 156 HB2 ASP 21 1HB ASP 21 -0.988 -18.670 3.227 157 HB3 ASP 21 2HB ASP 21 -1.123 -17.536 4.562 158 H GLU 22 H GLU 22 -2.704 -16.504 5.644 159 HA GLU 22 HA GLU 22 -4.326 -17.627 7.677 160 HB2 GLU 22 1HB GLU 22 -3.461 -14.723 7.235 161 HB3 GLU 22 2HB GLU 22 -4.207 -15.362 8.707 162 HG2 GLU 22 1HG GLU 22 -2.371 -17.000 8.900 163 HG3 GLU 22 2HG GLU 22 -1.513 -16.219 7.584 164 H LEU 23 H LEU 23 -5.020 -15.476 5.000 165 HA LEU 23 HA LEU 23 -7.868 -15.264 5.965 166 HG LEU 23 HG LEU 23 -5.650 -12.880 6.051 167 HB2 LEU 23 1HB LEU 23 -6.570 -13.608 3.808 168 HB3 LEU 23 2HB LEU 23 -8.157 -13.466 4.447 169 HD11 LEU 23 1HD1 LEU 23 -7.706 -11.057 4.717 170 HD12 LEU 23 2HD1 LEU 23 -6.428 -10.516 5.816 171 HD13 LEU 23 3HD1 LEU 23 -5.999 -11.253 4.263 172 HD21 LEU 23 3HD2 LEU 23 -7.471 -13.622 7.509 173 HD22 LEU 23 1HD2 LEU 23 -7.266 -11.877 7.669 174 HD23 LEU 23 2HD2 LEU 23 -8.614 -12.520 6.718 175 H SER 24 H SER 24 -5.954 -17.005 3.723 176 HA SER 24 HA SER 24 -6.392 -18.130 1.809 177 HG SER 24 HG SER 24 -7.115 -20.235 1.842 178 HB2 SER 24 1HB SER 24 -7.901 -19.128 3.670 179 HB3 SER 24 2HB SER 24 -9.228 -18.515 2.678 180 H LEU 25 H LEU 25 -6.229 -15.533 1.144 181 HA LEU 25 HA LEU 25 -8.616 -14.587 -0.202 182 HG LEU 25 HG LEU 25 -6.129 -12.586 1.543 183 HB2 LEU 25 1HB LEU 25 -5.711 -13.656 -0.425 184 HB3 LEU 25 2HB LEU 25 -7.055 -12.892 -1.206 185 HD11 LEU 25 1HD1 LEU 25 -7.315 -10.503 1.351 186 HD12 LEU 25 2HD1 LEU 25 -6.745 -10.840 -0.309 187 HD13 LEU 25 3HD1 LEU 25 -8.414 -11.176 0.155 188 HD21 LEU 25 3HD2 LEU 25 -8.139 -13.958 2.218 189 HD22 LEU 25 1HD2 LEU 25 -8.409 -12.249 2.577 190 HD23 LEU 25 2HD2 LEU 25 -9.171 -13.016 1.176 191 HA PRO 26 HA PRO 26 -8.279 -17.132 -3.680 192 HB2 PRO 26 1HB PRO 26 -9.827 -15.815 -5.538 193 HB3 PRO 26 2HB PRO 26 -10.478 -16.659 -4.123 194 HG2 PRO 26 1HG PRO 26 -9.945 -13.742 -4.462 195 HG3 PRO 26 2HG PRO 26 -11.369 -14.517 -3.706 196 HD2 PRO 26 1HD PRO 26 -9.240 -13.429 -2.319 197 HD3 PRO 26 2HD PRO 26 -10.202 -14.792 -1.710 198 H ASP 27 H ASP 27 -7.488 -17.306 -5.830 199 HA ASP 27 HA ASP 27 -4.998 -16.010 -6.345 200 HB2 ASP 27 1HB ASP 27 -5.644 -18.327 -6.970 201 HB3 ASP 27 2HB ASP 27 -6.819 -17.699 -8.116 202 H SER 28 H SER 28 -8.290 -15.356 -7.398 203 HA SER 28 HA SER 28 -7.694 -13.764 -9.729 204 HG SER 28 HG SER 28 -11.227 -14.846 -8.012 205 HB2 SER 28 1HB SER 28 -10.223 -13.274 -9.339 206 HB3 SER 28 2HB SER 28 -9.755 -14.929 -9.764 207 H VAL 29 H VAL 29 -8.585 -13.272 -6.283 208 HA VAL 29 HA VAL 29 -8.418 -10.377 -6.431 209 HB VAL 29 HB VAL 29 -8.297 -12.310 -4.075 210 HG11 VAL 29 1HG1 VAL 29 -8.171 -10.341 -2.600 211 HG12 VAL 29 2HG1 VAL 29 -6.755 -10.410 -3.572 212 HG13 VAL 29 3HG1 VAL 29 -8.040 -9.259 -3.999 213 HG21 VAL 29 3HG2 VAL 29 -10.258 -10.051 -4.648 214 HG22 VAL 29 1HG2 VAL 29 -10.496 -11.668 -5.317 215 HG23 VAL 29 2HG2 VAL 29 -10.449 -11.457 -3.571 216 H VAL 30 H VAL 30 -6.064 -13.006 -5.531 217 HA VAL 30 HA VAL 30 -4.049 -11.177 -4.823 218 HB VAL 30 HB VAL 30 -3.856 -14.029 -5.855 219 HG11 VAL 30 1HG1 VAL 30 -1.778 -12.319 -4.421 220 HG12 VAL 30 2HG1 VAL 30 -1.684 -14.075 -4.582 221 HG13 VAL 30 3HG1 VAL 30 -1.635 -13.060 -6.035 222 HG21 VAL 30 3HG2 VAL 30 -4.497 -14.712 -3.834 223 HG22 VAL 30 1HG2 VAL 30 -3.352 -13.676 -2.983 224 HG23 VAL 30 2HG2 VAL 30 -4.955 -13.065 -3.416 225 H ALA 31 H ALA 31 -4.751 -12.621 -8.076 226 HA ALA 31 HA ALA 31 -2.612 -11.199 -9.354 227 HB1 ALA 31 1HB ALA 31 -3.734 -13.174 -10.379 228 HB2 ALA 31 2HB ALA 31 -5.257 -12.261 -10.471 229 HB3 ALA 31 3HB ALA 31 -3.860 -11.749 -11.437 230 H ASP 32 H ASP 32 -6.131 -10.441 -8.904 231 HA ASP 32 HA ASP 32 -6.102 -7.980 -10.351 232 HB2 ASP 32 1HB ASP 32 -7.781 -8.944 -8.025 233 HB3 ASP 32 2HB ASP 32 -7.904 -7.295 -8.575 234 H LEU 33 H LEU 33 -5.273 -8.548 -6.835 235 HA LEU 33 HA LEU 33 -4.961 -5.953 -6.130 236 HG LEU 33 HG LEU 33 -4.556 -7.475 -3.043 237 HB2 LEU 33 1HB LEU 33 -4.942 -8.311 -4.905 238 HB3 LEU 33 2HB LEU 33 -3.243 -8.300 -5.150 239 HD11 LEU 33 1HD1 LEU 33 -2.449 -5.985 -2.555 240 HD12 LEU 33 2HD1 LEU 33 -2.266 -7.716 -2.848 241 HD13 LEU 33 3HD1 LEU 33 -1.896 -6.547 -4.143 242 HD21 LEU 33 3HD2 LEU 33 -4.683 -5.095 -2.679 243 HD22 LEU 33 1HD2 LEU 33 -4.084 -4.757 -4.321 244 HD23 LEU 33 2HD2 LEU 33 -5.663 -5.529 -4.090 245 H TYR 34 H TYR 34 -2.491 -8.229 -7.376 246 HA TYR 34 HA TYR 34 -0.375 -6.284 -7.370 247 HD1 TYR 34 HD2 TYR 34 -0.740 -9.751 -6.386 248 HD2 TYR 34 HD1 TYR 34 2.462 -7.375 -8.011 249 HE1 TYR 34 HE2 TYR 34 0.780 -10.575 -4.598 250 HE2 TYR 34 HE1 TYR 34 3.980 -8.179 -6.243 251 HH TYR 34 HH TYR 34 4.054 -10.418 -4.721 252 HB2 TYR 34 1HB TYR 34 -0.798 -8.891 -8.793 253 HB3 TYR 34 2HB TYR 34 0.484 -7.817 -9.332 254 H ASN 35 H ASN 35 -3.077 -6.716 -9.681 255 HA ASN 35 HA ASN 35 -1.916 -5.077 -11.741 256 HB2 ASN 35 1HB ASN 35 -4.853 -5.597 -11.144 257 HB3 ASN 35 2HB ASN 35 -4.264 -4.606 -12.451 258 HD21 ASN 35 2HD2 ASN 35 -5.818 -7.153 -12.594 259 HD22 ASN 35 1HD2 ASN 35 -4.889 -8.003 -13.805 260 H PHE 36 H PHE 36 -3.586 -4.320 -8.702 261 HA PHE 36 HA PHE 36 -4.378 -1.718 -9.297 262 HD1 PHE 36 HD2 PHE 36 -2.862 -0.636 -5.667 263 HD2 PHE 36 HD1 PHE 36 -6.756 -1.354 -7.307 264 HE1 PHE 36 HE2 PHE 36 -3.762 1.204 -4.263 265 HE2 PHE 36 HE1 PHE 36 -7.659 0.558 -5.961 266 HZ PHE 36 HZ PHE 36 -6.162 1.747 -4.353 267 HB2 PHE 36 1HB PHE 36 -5.022 -3.120 -7.280 268 HB3 PHE 36 2HB PHE 36 -3.448 -2.789 -6.600 269 H TRP 37 H TRP 37 -1.403 -2.714 -7.606 270 HA TRP 37 HA TRP 37 -0.228 -0.067 -7.883 271 HD1 TRP 37 HD1 TRP 37 -0.165 -4.262 -6.327 272 HE1 TRP 37 HE1 TRP 37 -1.733 -4.667 -4.324 273 HE3 TRP 37 HE3 TRP 37 -0.306 0.462 -4.448 274 HZ2 TRP 37 HZ2 TRP 37 -3.045 -3.083 -2.293 275 HZ3 TRP 37 HZ3 TRP 37 -1.703 0.975 -2.412 276 HH2 TRP 37 HH2 TRP 37 -3.045 -0.753 -1.377 277 HB2 TRP 37 1HB TRP 37 1.462 -2.350 -6.949 278 HB3 TRP 37 2HB TRP 37 1.241 -0.755 -6.256 279 H LYS 38 H LYS 38 -0.823 -1.858 -10.272 280 HA LYS 38 HA LYS 38 1.888 -1.779 -11.554 281 HB2 LYS 38 1HB LYS 38 1.092 -4.080 -11.351 282 HB3 LYS 38 2HB LYS 38 -0.463 -3.632 -12.047 283 HG2 LYS 38 1HG LYS 38 0.607 -3.163 -14.198 284 HG3 LYS 38 2HG LYS 38 2.213 -3.466 -13.525 285 HD2 LYS 38 1HD LYS 38 0.014 -5.577 -13.585 286 HD3 LYS 38 2HD LYS 38 1.077 -5.270 -14.960 287 HE2 LYS 38 1HE LYS 38 3.060 -5.686 -13.426 288 HE3 LYS 38 2HE LYS 38 1.912 -6.216 -12.188 289 HZ1 LYS 38 3HZ LYS 38 2.252 -7.428 -14.870 290 HZ2 LYS 38 1HZ LYS 38 2.781 -8.082 -13.475 291 HZ3 LYS 38 2HZ LYS 38 1.161 -7.941 -13.754 292 H ASP 39 H ASP 39 -1.411 -2.066 -12.852 293 HA ASP 39 HA ASP 39 -0.619 -0.155 -14.916 294 HB2 ASP 39 1HB ASP 39 -1.626 -2.484 -15.156 295 HB3 ASP 39 2HB ASP 39 -3.171 -1.783 -14.706 296 H ASP 40 H ASP 40 -2.368 -0.098 -12.167 297 HA ASP 40 HA ASP 40 -3.163 1.749 -11.001 298 HB2 ASP 40 1HB ASP 40 -2.416 3.257 -12.935 299 HB3 ASP 40 2HB ASP 40 -4.082 3.120 -13.520 300 H TYR 41 H TYR 41 -4.542 -0.612 -12.416 301 HA TYR 41 HA TYR 41 -7.286 -0.525 -12.593 302 HD1 TYR 41 HD2 TYR 41 -6.177 -2.859 -9.188 303 HD2 TYR 41 HD1 TYR 41 -8.480 -3.666 -12.726 304 HE1 TYR 41 HE2 TYR 41 -7.649 -4.238 -7.856 305 HE2 TYR 41 HE1 TYR 41 -10.011 -5.079 -11.403 306 HH TYR 41 HH TYR 41 -10.717 -5.547 -9.163 307 HB2 TYR 41 1HB TYR 41 -6.207 -2.603 -12.862 308 HB3 TYR 41 2HB TYR 41 -5.273 -2.418 -11.401 309 H VAL 42 H VAL 42 -9.065 -0.393 -11.156 310 HA VAL 42 HA VAL 42 -8.458 0.494 -8.389 311 HB VAL 42 HB VAL 42 -10.633 1.462 -8.316 312 HG11 VAL 42 1HG1 VAL 42 -8.758 2.812 -9.238 313 HG12 VAL 42 2HG1 VAL 42 -9.265 2.374 -10.881 314 HG13 VAL 42 3HG1 VAL 42 -10.341 3.324 -9.843 315 HG21 VAL 42 3HG2 VAL 42 -11.963 -0.020 -9.725 316 HG22 VAL 42 1HG2 VAL 42 -12.127 1.652 -10.268 317 HG23 VAL 42 2HG2 VAL 42 -11.092 0.530 -11.178 318 H MET 43 H MET 43 -9.366 -0.635 -6.687 319 HA MET 43 HA MET 43 -9.750 -3.452 -7.060 320 HB2 MET 43 1HB MET 43 -10.373 -1.613 -4.731 321 HB3 MET 43 2HB MET 43 -10.423 -3.378 -4.627 322 HG2 MET 43 1HG MET 43 -8.071 -3.576 -4.932 323 HG3 MET 43 2HG MET 43 -7.926 -1.935 -5.511 324 HE1 MET 43 3HE MET 43 -5.923 -2.862 -2.831 325 HE2 MET 43 1HE MET 43 -5.956 -1.679 -4.153 326 HE3 MET 43 2HE MET 43 -5.998 -1.110 -2.476 327 H THR 44 H THR 44 -11.599 -4.704 -6.716 328 HA THR 44 HA THR 44 -14.205 -3.310 -6.910 329 HB THR 44 HB THR 44 -14.698 -5.246 -8.608 330 HG1 THR 44 1HG THR 44 -12.806 -5.865 -9.773 331 HG21 THR 44 3HG2 THR 44 -12.752 -3.048 -9.465 332 HG22 THR 44 1HG2 THR 44 -13.904 -3.918 -10.501 333 HG23 THR 44 2HG2 THR 44 -14.498 -2.831 -9.234 334 H ASP 45 H ASP 45 -12.315 -5.996 -5.636 335 HA ASP 45 HA ASP 45 -14.691 -7.284 -4.405 336 HB2 ASP 45 1HB ASP 45 -12.605 -8.469 -5.541 337 HB3 ASP 45 2HB ASP 45 -11.789 -8.089 -4.035 338 H ARG 46 H ARG 46 -14.321 -7.800 -1.966 339 HA ARG 46 HA ARG 46 -13.372 -5.390 -0.559 340 HE ARG 46 HE ARG 46 -17.271 -7.758 1.849 341 HB2 ARG 46 1HB ARG 46 -14.267 -6.220 1.416 342 HB3 ARG 46 2HB ARG 46 -15.444 -6.663 0.182 343 HG2 ARG 46 1HG ARG 46 -14.425 -8.932 0.096 344 HG3 ARG 46 2HG ARG 46 -13.388 -8.519 1.473 345 HD2 ARG 46 1HD ARG 46 -15.293 -9.824 2.245 346 HD3 ARG 46 2HD ARG 46 -15.339 -8.186 2.906 347 HH11 ARG 46 2HH2 ARG 46 -15.949 -10.663 0.273 348 HH12 ARG 46 1HH2 ARG 46 -16.972 -10.598 -1.103 349 HH21 ARG 46 2HH1 ARG 46 -18.598 -7.583 0.012 350 HH22 ARG 46 1HH1 ARG 46 -18.422 -8.665 -1.309 351 H LEU 47 H LEU 47 -12.300 -8.949 -1.104 352 HA LEU 47 HA LEU 47 -10.539 -9.040 0.803 353 HG LEU 47 HG LEU 47 -10.670 -12.145 -0.487 354 HB2 LEU 47 1HB LEU 47 -11.089 -10.076 -1.982 355 HB3 LEU 47 2HB LEU 47 -9.629 -10.550 -1.257 356 HD11 LEU 47 1HD1 LEU 47 -11.728 -12.236 1.684 357 HD12 LEU 47 2HD1 LEU 47 -10.434 -11.035 1.722 358 HD13 LEU 47 3HD1 LEU 47 -12.135 -10.521 1.587 359 HD21 LEU 47 3HD2 LEU 47 -12.501 -11.915 -1.901 360 HD22 LEU 47 1HD2 LEU 47 -12.904 -12.750 -0.399 361 HD23 LEU 47 2HD2 LEU 47 -13.397 -11.050 -0.619 362 H ALA 48 H ALA 48 -9.944 -7.228 -2.215 363 HA ALA 48 HA ALA 48 -7.095 -7.048 -2.102 364 HB1 ALA 48 1HB ALA 48 -7.543 -4.847 -3.195 365 HB2 ALA 48 2HB ALA 48 -8.427 -6.190 -3.964 366 HB3 ALA 48 3HB ALA 48 -9.273 -5.050 -2.893 367 H GLY 49 H GLY 49 -9.628 -5.155 -0.351 368 HA2 GLY 49 1HA GLY 49 -7.689 -3.477 0.989 369 HA3 GLY 49 2HA GLY 49 -9.422 -3.552 1.316 370 H CYS 50 H CYS 50 -9.451 -6.473 1.804 371 HA CYS 50 HA CYS 50 -8.603 -6.379 4.586 372 HB2 CYS 50 1HB CYS 50 -9.937 -8.442 2.879 373 HB3 CYS 50 2HB CYS 50 -9.014 -8.981 4.277 374 H ALA 51 H ALA 51 -7.157 -7.830 1.610 375 HA ALA 51 HA ALA 51 -4.988 -9.000 3.011 376 HB1 ALA 51 1HB ALA 51 -3.778 -8.731 0.769 377 HB2 ALA 51 2HB ALA 51 -5.212 -9.743 0.799 378 HB3 ALA 51 3HB ALA 51 -5.316 -8.093 0.141 379 H ILE 52 H ILE 52 -5.505 -5.626 1.757 380 HA ILE 52 HA ILE 52 -2.978 -4.583 2.402 381 HB ILE 52 HB ILE 52 -5.718 -3.290 2.317 382 HG12 ILE 52 1HG1 ILE 52 -3.222 -2.877 0.617 383 HG13 ILE 52 2HG1 ILE 52 -4.478 -4.045 0.225 384 HG21 ILE 52 1HG2 ILE 52 -3.088 -1.869 2.848 385 HG22 ILE 52 2HG2 ILE 52 -4.634 -1.080 2.509 386 HG23 ILE 52 3HG2 ILE 52 -4.433 -1.977 3.994 387 HD11 ILE 52 3HD1 ILE 52 -4.791 -2.084 -1.060 388 HD12 ILE 52 1HD1 ILE 52 -6.162 -2.235 0.047 389 HD13 ILE 52 2HD1 ILE 52 -4.882 -1.038 0.344 390 H ASN 53 H ASN 53 -5.900 -4.548 4.585 391 HA ASN 53 HA ASN 53 -4.309 -3.526 6.711 392 HB2 ASN 53 1HB ASN 53 -6.115 -3.708 8.118 393 HB3 ASN 53 2HB ASN 53 -6.819 -3.387 6.543 394 HD21 ASN 53 2HD2 ASN 53 -8.765 -4.414 6.510 395 HD22 ASN 53 1HD2 ASN 53 -9.007 -6.079 7.031 396 H CYS 54 H CYS 54 -4.636 -6.841 5.617 397 HA CYS 54 HA CYS 54 -3.430 -8.068 7.950 398 HB2 CYS 54 1HB CYS 54 -4.562 -9.562 6.658 399 HB3 CYS 54 2HB CYS 54 -4.050 -8.861 5.127 400 H LEU 55 H LEU 55 -2.102 -6.788 4.839 401 HA LEU 55 HA LEU 55 0.652 -7.357 5.393 402 HG LEU 55 HG LEU 55 -0.895 -7.715 3.000 403 HB2 LEU 55 1HB LEU 55 -0.654 -5.193 3.715 404 HB3 LEU 55 2HB LEU 55 1.063 -5.520 3.722 405 HD11 LEU 55 1HD1 LEU 55 -1.401 -5.824 1.542 406 HD12 LEU 55 2HD1 LEU 55 0.313 -5.656 1.114 407 HD13 LEU 55 3HD1 LEU 55 -0.608 -7.111 0.638 408 HD21 LEU 55 3HD2 LEU 55 1.967 -7.217 2.103 409 HD22 LEU 55 1HD2 LEU 55 1.484 -8.284 3.430 410 HD23 LEU 55 2HD2 LEU 55 0.945 -8.648 1.788 411 H ALA 56 H ALA 56 -1.465 -4.771 6.382 412 HA ALA 56 HA ALA 56 0.538 -2.899 7.226 413 HB1 ALA 56 1HB ALA 56 -1.836 -2.339 6.530 414 HB2 ALA 56 2HB ALA 56 -2.371 -2.995 8.099 415 HB3 ALA 56 3HB ALA 56 -1.281 -1.601 8.038 416 H THR 57 H THR 57 -0.771 -5.743 8.700 417 HA THR 57 HA THR 57 0.437 -5.024 11.299 418 HB THR 57 HB THR 57 -1.969 -5.475 11.310 419 HG1 THR 57 1HG THR 57 -1.912 -6.823 13.041 420 HG21 THR 57 3HG2 THR 57 -2.695 -7.864 11.206 421 HG22 THR 57 1HG2 THR 57 -2.251 -7.138 9.662 422 HG23 THR 57 2HG2 THR 57 -1.117 -8.250 10.462 423 H LYS 58 H LYS 58 1.488 -6.187 8.438 424 HA LYS 58 HA LYS 58 3.325 -8.100 9.729 425 HB2 LYS 58 1HB LYS 58 1.566 -8.376 7.288 426 HB3 LYS 58 2HB LYS 58 3.148 -9.155 7.271 427 HG2 LYS 58 1HG LYS 58 2.740 -10.280 9.341 428 HG3 LYS 58 2HG LYS 58 1.137 -9.508 9.487 429 HD2 LYS 58 1HD LYS 58 0.282 -10.563 7.532 430 HD3 LYS 58 2HD LYS 58 1.840 -11.351 7.196 431 HE2 LYS 58 1HE LYS 58 0.168 -12.886 8.059 432 HE3 LYS 58 2HE LYS 58 1.542 -12.769 9.165 433 HZ1 LYS 58 3HZ LYS 58 -1.039 -11.368 9.534 434 HZ2 LYS 58 1HZ LYS 58 -0.636 -12.750 10.248 435 HZ3 LYS 58 2HZ LYS 58 0.209 -11.383 10.626 436 H LEU 59 H LEU 59 3.662 -5.304 9.568 437 HA LEU 59 HA LEU 59 4.976 -4.507 7.225 438 HG LEU 59 HG LEU 59 3.257 -3.274 9.754 439 HB2 LEU 59 1HB LEU 59 5.709 -3.486 9.980 440 HB3 LEU 59 2HB LEU 59 5.950 -2.681 8.418 441 HD11 LEU 59 1HD1 LEU 59 3.123 -0.833 10.030 442 HD12 LEU 59 2HD1 LEU 59 4.533 -1.496 10.865 443 HD13 LEU 59 3HD1 LEU 59 4.741 -0.659 9.308 444 HD21 LEU 59 3HD2 LEU 59 2.962 -3.300 7.322 445 HD22 LEU 59 1HD2 LEU 59 2.318 -1.784 7.974 446 HD23 LEU 59 2HD2 LEU 59 3.886 -1.799 7.161 447 H ASP 60 H ASP 60 6.154 -6.619 9.840 448 HA ASP 60 HA ASP 60 8.967 -6.187 8.997 449 HB2 ASP 60 1HB ASP 60 8.564 -6.326 11.331 450 HB3 ASP 60 2HB ASP 60 7.649 -7.817 11.135 451 H VAL 61 H VAL 61 6.385 -8.200 8.179 452 HA VAL 61 HA VAL 61 8.036 -10.402 7.099 453 HB VAL 61 HB VAL 61 5.078 -9.882 6.667 454 HG11 VAL 61 1HG1 VAL 61 6.690 -12.478 6.603 455 HG12 VAL 61 2HG1 VAL 61 4.950 -12.333 6.304 456 HG13 VAL 61 3HG1 VAL 61 6.104 -11.581 5.192 457 HG21 VAL 61 3HG2 VAL 61 4.627 -11.454 8.550 458 HG22 VAL 61 1HG2 VAL 61 6.344 -11.398 8.990 459 HG23 VAL 61 2HG2 VAL 61 5.329 -9.945 9.091 460 H VAL 62 H VAL 62 5.954 -7.609 6.051 461 HA VAL 62 HA VAL 62 6.596 -8.003 3.289 462 HB VAL 62 HB VAL 62 4.579 -6.835 4.550 463 HG11 VAL 62 1HG1 VAL 62 6.197 -4.404 3.781 464 HG12 VAL 62 2HG1 VAL 62 4.588 -4.463 4.543 465 HG13 VAL 62 3HG1 VAL 62 6.017 -4.967 5.461 466 HG21 VAL 62 3HG2 VAL 62 5.744 -5.803 1.962 467 HG22 VAL 62 1HG2 VAL 62 4.601 -7.179 2.178 468 HG23 VAL 62 2HG2 VAL 62 4.075 -5.525 2.518 469 H ASP 63 H ASP 63 8.004 -5.995 5.880 470 HA ASP 63 HA ASP 63 10.228 -5.199 4.103 471 HB2 ASP 63 1HB ASP 63 8.622 -3.369 4.081 472 HB3 ASP 63 2HB ASP 63 8.487 -3.387 5.801 473 HA PRO 64 HA PRO 64 11.721 -6.855 8.156 474 HB2 PRO 64 1HB PRO 64 13.732 -8.476 7.157 475 HB3 PRO 64 2HB PRO 64 12.037 -8.980 7.440 476 HG2 PRO 64 1HG PRO 64 13.319 -8.074 4.853 477 HG3 PRO 64 2HG PRO 64 12.210 -9.463 5.146 478 HD2 PRO 64 1HD PRO 64 11.310 -7.117 4.132 479 HD3 PRO 64 2HD PRO 64 10.335 -8.089 5.259 480 H ASP 65 H ASP 65 13.001 -4.842 5.640 481 HA ASP 65 HA ASP 65 15.606 -4.273 6.710 482 HB2 ASP 65 1HB ASP 65 13.662 -2.684 5.034 483 HB3 ASP 65 2HB ASP 65 15.072 -1.923 5.756 484 H GLY 66 H GLY 66 12.271 -3.253 7.540 485 HA2 GLY 66 1HA GLY 66 11.555 -2.592 9.658 486 HA3 GLY 66 2HA GLY 66 13.231 -2.337 10.171 487 H ASN 67 H ASN 67 11.657 -1.090 7.171 488 HA ASN 67 HA ASN 67 12.451 1.632 8.049 489 HB2 ASN 67 1HB ASN 67 11.407 0.929 5.320 490 HB3 ASN 67 2HB ASN 67 12.356 2.333 5.834 491 HD21 ASN 67 2HD2 ASN 67 14.623 1.466 6.848 492 HD22 ASN 67 1HD2 ASN 67 15.399 0.181 5.876 493 H LEU 68 H LEU 68 9.744 -0.356 6.793 494 HA LEU 68 HA LEU 68 7.741 1.717 6.981 495 HG LEU 68 HG LEU 68 6.531 0.987 4.965 496 HB2 LEU 68 1HB LEU 68 7.939 -0.852 5.851 497 HB3 LEU 68 2HB LEU 68 6.876 -1.139 7.136 498 HD11 LEU 68 1HD1 LEU 68 6.314 -1.275 4.147 499 HD12 LEU 68 2HD1 LEU 68 5.153 -1.689 5.405 500 HD13 LEU 68 3HD1 LEU 68 4.716 -0.496 4.167 501 HD21 LEU 68 3HD2 LEU 68 4.625 0.289 7.239 502 HD22 LEU 68 1HD2 LEU 68 5.377 1.854 6.896 503 HD23 LEU 68 2HD2 LEU 68 4.174 1.207 5.796 504 H HIS 69 H HIS 69 6.520 2.333 8.762 505 HA HIS 69 HA HIS 69 6.061 0.369 10.882 506 HD1 HIS 69 HD1 HIS 69 8.567 -0.279 12.203 507 HD2 HIS 69 HD2 HIS 69 9.250 3.715 11.009 508 HE1 HIS 69 HE1 HIS 69 11.092 -0.031 11.845 509 HE2 HIS 69 HE2 HIS 69 11.482 2.437 11.145 510 HB2 HIS 69 1HB HIS 69 6.765 3.164 11.775 511 HB3 HIS 69 2HB HIS 69 6.514 1.769 12.748 512 H HIS 70 H HIS 70 4.194 1.281 12.340 513 HA HIS 70 HA HIS 70 2.148 2.331 10.631 514 HD1 HIS 70 HD1 HIS 70 2.629 0.127 14.773 515 HD2 HIS 70 HD2 HIS 70 2.262 4.312 14.407 516 HE1 HIS 70 HE1 HIS 70 3.141 1.130 17.065 517 HE2 HIS 70 HE2 HIS 70 2.814 3.653 16.889 518 HB2 HIS 70 1HB HIS 70 0.808 2.499 12.687 519 HB3 HIS 70 2HB HIS 70 1.581 0.943 12.532 520 H GLY 71 H GLY 71 1.130 4.288 10.642 521 HA2 GLY 71 1HA GLY 71 1.309 6.405 9.927 522 HA3 GLY 71 2HA GLY 71 1.783 6.783 11.597 523 H ASN 72 H ASN 72 3.666 4.773 9.254 524 HA ASN 72 HA ASN 72 5.592 6.920 8.810 525 HB2 ASN 72 1HB ASN 72 6.006 5.719 11.102 526 HB3 ASN 72 2HB ASN 72 6.467 4.359 10.116 527 HD21 ASN 72 2HD2 ASN 72 8.215 5.904 11.818 528 HD22 ASN 72 1HD2 ASN 72 9.569 6.358 10.791 529 H ALA 73 H ALA 73 4.510 6.325 6.673 530 HA ALA 73 HA ALA 73 6.067 4.233 5.268 531 HB1 ALA 73 1HB ALA 73 4.626 6.671 4.162 532 HB2 ALA 73 2HB ALA 73 5.129 5.225 3.280 533 HB3 ALA 73 3HB ALA 73 3.813 5.112 4.456 534 H LYS 74 H LYS 74 7.087 6.891 7.094 535 HA LYS 74 HA LYS 74 8.213 8.572 5.002 536 HB2 LYS 74 1HB LYS 74 7.592 8.716 7.868 537 HB3 LYS 74 2HB LYS 74 9.267 9.173 7.572 538 HG2 LYS 74 1HG LYS 74 8.584 10.805 5.898 539 HG3 LYS 74 2HG LYS 74 6.922 10.175 5.919 540 HD2 LYS 74 1HD LYS 74 6.888 12.229 7.051 541 HD3 LYS 74 2HD LYS 74 6.701 10.954 8.281 542 HE2 LYS 74 1HE LYS 74 9.168 11.117 8.736 543 HE3 LYS 74 2HE LYS 74 9.304 12.380 7.505 544 HZ1 LYS 74 3HZ LYS 74 7.858 13.754 8.867 545 HZ2 LYS 74 1HZ LYS 74 7.762 12.542 10.005 546 HZ3 LYS 74 2HZ LYS 74 9.223 13.243 9.686 547 H ASP 75 H ASP 75 9.626 6.597 7.640 548 HA ASP 75 HA ASP 75 12.285 6.858 6.622 549 HB2 ASP 75 1HB ASP 75 11.054 4.756 8.427 550 HB3 ASP 75 2HB ASP 75 12.783 4.919 8.115 551 H PHE 76 H PHE 76 9.707 4.555 5.913 552 HA PHE 76 HA PHE 76 11.104 2.759 4.163 553 HD1 PHE 76 HD1 PHE 76 9.867 0.328 4.027 554 HD2 PHE 76 HD2 PHE 76 7.381 3.216 1.979 555 HE1 PHE 76 HE1 PHE 76 9.308 -1.353 2.332 556 HE2 PHE 76 HE2 PHE 76 6.826 1.507 0.282 557 HZ PHE 76 HZ PHE 76 7.789 -0.780 0.429 558 HB2 PHE 76 1HB PHE 76 8.853 2.432 5.151 559 HB3 PHE 76 2HB PHE 76 8.217 3.703 4.145 560 H ALA 77 H ALA 77 9.137 5.640 3.285 561 HA ALA 77 HA ALA 77 9.935 5.647 0.543 562 HB1 ALA 77 1HB ALA 77 8.865 7.868 0.571 563 HB2 ALA 77 2HB ALA 77 7.886 6.655 1.399 564 HB3 ALA 77 3HB ALA 77 8.787 7.811 2.344 565 H MET 78 H MET 78 11.453 7.066 3.428 566 HA MET 78 HA MET 78 13.311 8.821 2.185 567 HB2 MET 78 1HB MET 78 13.594 7.195 4.768 568 HB3 MET 78 2HB MET 78 14.656 8.449 4.227 569 HG2 MET 78 1HG MET 78 12.392 9.861 4.160 570 HG3 MET 78 2HG MET 78 11.932 8.757 5.382 571 HE1 MET 78 3HE MET 78 11.694 11.451 6.271 572 HE2 MET 78 1HE MET 78 13.046 12.219 7.146 573 HE3 MET 78 2HE MET 78 13.004 12.266 5.374 574 H LYS 79 H LYS 79 13.170 5.376 2.208 575 HA LYS 79 HA LYS 79 15.890 5.199 0.958 576 HB2 LYS 79 1HB LYS 79 14.375 3.227 2.694 577 HB3 LYS 79 2HB LYS 79 15.818 2.795 1.758 578 HG2 LYS 79 1HG LYS 79 15.810 5.061 3.785 579 HG3 LYS 79 2HG LYS 79 16.208 3.401 4.197 580 HD2 LYS 79 1HD LYS 79 18.240 3.447 3.192 581 HD3 LYS 79 2HD LYS 79 17.725 4.400 1.821 582 HE2 LYS 79 1HE LYS 79 17.838 5.698 4.537 583 HE3 LYS 79 2HE LYS 79 19.357 5.361 3.702 584 HZ1 LYS 79 3HZ LYS 79 18.500 7.580 3.188 585 HZ2 LYS 79 1HZ LYS 79 18.612 6.658 1.844 586 HZ3 LYS 79 2HZ LYS 79 17.144 6.944 2.546 587 H HIS 80 H HIS 80 12.894 5.524 -0.136 588 HA HIS 80 HA HIS 80 13.420 3.673 -2.415 589 HD1 HIS 80 HD1 HIS 80 10.849 1.051 -2.946 590 HD2 HIS 80 HD2 HIS 80 12.341 2.325 0.819 591 HE1 HIS 80 HE1 HIS 80 11.222 -1.051 -1.520 592 HE2 HIS 80 HE2 HIS 80 12.126 -0.243 0.792 593 HB2 HIS 80 1HB HIS 80 10.783 4.156 -0.992 594 HB3 HIS 80 2HB HIS 80 10.885 3.588 -2.644 595 H GLY 81 H GLY 81 13.223 6.926 -1.470 596 HA2 GLY 81 1HA GLY 81 13.973 8.354 -3.340 597 HA3 GLY 81 2HA GLY 81 12.722 7.647 -4.333 598 H ALA 82 H ALA 82 12.741 9.104 -0.976 599 HA ALA 82 HA ALA 82 10.937 11.189 -2.008 600 HB1 ALA 82 1HB ALA 82 9.433 10.920 -0.062 601 HB2 ALA 82 2HB ALA 82 9.457 9.450 -1.058 602 HB3 ALA 82 3HB ALA 82 10.387 9.533 0.469 603 H ASP 83 H ASP 83 10.594 12.867 -0.375 604 HA ASP 83 HA ASP 83 12.712 13.286 1.625 605 HB2 ASP 83 1HB ASP 83 11.765 15.458 -0.292 606 HB3 ASP 83 2HB ASP 83 12.869 15.664 1.062 607 H GLU 84 H GLU 84 11.888 15.063 3.065 608 HA GLU 84 HA GLU 84 9.462 14.407 4.241 609 HB2 GLU 84 1HB GLU 84 11.018 17.018 4.265 610 HB3 GLU 84 2HB GLU 84 9.727 16.658 5.412 611 HG2 GLU 84 1HG GLU 84 10.970 15.079 6.585 612 HG3 GLU 84 2HG GLU 84 11.956 14.628 5.198 613 H THR 85 H THR 85 9.836 16.796 1.734 614 HA THR 85 HA THR 85 7.172 17.840 1.822 615 HB THR 85 HB THR 85 9.269 17.584 -0.363 616 HG1 THR 85 1HG THR 85 9.549 19.765 0.127 617 HG21 THR 85 3HG2 THR 85 6.575 19.009 -0.461 618 HG22 THR 85 1HG2 THR 85 7.903 19.295 -1.609 619 HG23 THR 85 2HG2 THR 85 7.144 17.699 -1.525 620 H MET 86 H MET 86 8.637 15.180 -0.169 621 HA MET 86 HA MET 86 6.127 14.503 -1.424 622 HB2 MET 86 1HB MET 86 8.613 12.802 -1.096 623 HB3 MET 86 2HB MET 86 7.327 12.507 -2.207 624 HG2 MET 86 1HG MET 86 8.031 15.146 -2.804 625 HG3 MET 86 2HG MET 86 9.578 14.393 -2.446 626 HE1 MET 86 3HE MET 86 9.165 11.371 -3.612 627 HE2 MET 86 1HE MET 86 9.704 11.599 -5.286 628 HE3 MET 86 2HE MET 86 10.611 12.362 -3.965 629 H ALA 87 H ALA 87 7.931 13.369 1.430 630 HA ALA 87 HA ALA 87 6.265 11.116 2.038 631 HB1 ALA 87 1HB ALA 87 8.652 11.807 2.901 632 HB2 ALA 87 2HB ALA 87 7.744 12.681 4.148 633 HB3 ALA 87 3HB ALA 87 7.529 10.923 3.927 634 H GLN 88 H GLN 88 6.194 14.541 3.104 635 HA GLN 88 HA GLN 88 3.816 14.176 4.696 636 HB2 GLN 88 1HB GLN 88 5.289 15.929 5.234 637 HB3 GLN 88 2HB GLN 88 5.416 16.485 3.584 638 HG2 GLN 88 1HG GLN 88 4.112 18.079 4.773 639 HG3 GLN 88 2HG GLN 88 2.985 17.226 3.727 640 HE21 GLN 88 2HE2 GLN 88 1.462 15.744 4.698 641 HE22 GLN 88 1HE2 GLN 88 1.096 15.830 6.411 642 H GLN 89 H GLN 89 4.357 15.097 1.265 643 HA GLN 89 HA GLN 89 1.734 15.862 0.573 644 HB2 GLN 89 1HB GLN 89 3.944 14.511 -1.034 645 HB3 GLN 89 2HB GLN 89 2.391 14.903 -1.727 646 HG2 GLN 89 1HG GLN 89 3.375 17.273 -0.392 647 HG3 GLN 89 2HG GLN 89 4.665 16.617 -1.406 648 HE21 GLN 89 2HE2 GLN 89 4.428 16.581 -3.710 649 HE22 GLN 89 1HE2 GLN 89 3.024 17.254 -4.481 650 H LEU 90 H LEU 90 3.244 12.548 0.170 651 HA LEU 90 HA LEU 90 1.035 11.177 -0.574 652 HG LEU 90 HG LEU 90 2.321 9.882 -1.573 653 HB2 LEU 90 1HB LEU 90 3.625 10.628 0.980 654 HB3 LEU 90 2HB LEU 90 2.395 9.405 0.912 655 HD11 LEU 90 1HD1 LEU 90 3.808 10.418 -2.833 656 HD12 LEU 90 2HD1 LEU 90 3.529 11.788 -1.762 657 HD13 LEU 90 3HD1 LEU 90 5.020 10.808 -1.548 658 HD21 LEU 90 3HD2 LEU 90 3.342 7.714 -0.560 659 HD22 LEU 90 1HD2 LEU 90 4.010 8.211 -2.128 660 HD23 LEU 90 2HD2 LEU 90 4.893 8.551 -0.622 661 H VAL 91 H VAL 91 2.098 11.763 2.745 662 HA VAL 91 HA VAL 91 -0.085 10.417 3.921 663 HB VAL 91 HB VAL 91 2.138 11.963 4.819 664 HG11 VAL 91 1HG1 VAL 91 1.359 13.081 6.770 665 HG12 VAL 91 2HG1 VAL 91 0.563 13.781 5.349 666 HG13 VAL 91 3HG1 VAL 91 -0.338 12.663 6.411 667 HG21 VAL 91 3HG2 VAL 91 1.823 10.637 6.815 668 HG22 VAL 91 1HG2 VAL 91 0.157 10.221 6.340 669 HG23 VAL 91 2HG2 VAL 91 1.539 9.642 5.388 670 H ASP 92 H ASP 92 0.018 13.702 2.543 671 HA ASP 92 HA ASP 92 -2.570 14.512 3.576 672 HB2 ASP 92 1HB ASP 92 -0.622 15.973 2.658 673 HB3 ASP 92 2HB ASP 92 -1.281 15.595 1.053 674 H ILE 93 H ILE 93 -1.503 12.460 0.954 675 HA ILE 93 HA ILE 93 -3.980 12.624 -0.580 676 HB ILE 93 HB ILE 93 -1.829 10.497 -0.690 677 HG12 ILE 93 1HG1 ILE 93 -0.883 12.756 -1.188 678 HG13 ILE 93 2HG1 ILE 93 -0.697 11.579 -2.444 679 HG21 ILE 93 1HG2 ILE 93 -3.295 11.038 -3.207 680 HG22 ILE 93 2HG2 ILE 93 -2.736 9.555 -2.492 681 HG23 ILE 93 3HG2 ILE 93 -4.247 10.321 -1.919 682 HD11 ILE 93 3HD1 ILE 93 -3.004 13.524 -2.583 683 HD12 ILE 93 1HD1 ILE 93 -1.375 14.039 -3.024 684 HD13 ILE 93 2HD1 ILE 93 -2.122 12.696 -3.907 685 H ILE 94 H ILE 94 -2.591 10.318 1.940 686 HA ILE 94 HA ILE 94 -5.022 8.684 1.700 687 HB ILE 94 HB ILE 94 -2.633 7.824 2.144 688 HG12 ILE 94 1HG1 ILE 94 -3.521 6.232 4.031 689 HG13 ILE 94 2HG1 ILE 94 -5.078 7.018 3.721 690 HG21 ILE 94 1HG2 ILE 94 -1.711 7.758 4.309 691 HG22 ILE 94 2HG2 ILE 94 -1.983 9.449 3.890 692 HG23 ILE 94 3HG2 ILE 94 -3.090 8.612 5.006 693 HD11 ILE 94 3HD1 ILE 94 -4.823 6.264 1.321 694 HD12 ILE 94 1HD1 ILE 94 -3.243 5.540 1.747 695 HD13 ILE 94 2HD1 ILE 94 -4.725 4.909 2.480 696 H HIS 95 H HIS 95 -3.652 11.156 3.922 697 HA HIS 95 HA HIS 95 -5.819 11.046 5.789 698 HD1 HIS 95 HD1 HIS 95 -3.631 13.951 8.240 699 HD2 HIS 95 HD2 HIS 95 -3.519 10.126 6.454 700 HE1 HIS 95 HE1 HIS 95 -2.623 12.356 9.951 701 HE2 HIS 95 HE2 HIS 95 -2.690 9.997 8.865 702 HB2 HIS 95 1HB HIS 95 -3.933 13.316 5.042 703 HB3 HIS 95 2HB HIS 95 -5.234 13.494 6.190 704 H GLY 96 H GLY 96 -5.447 12.597 2.614 705 HA2 GLY 96 1HA GLY 96 -7.655 14.360 2.863 706 HA3 GLY 96 2HA GLY 96 -6.951 13.729 1.331 707 H CYS 97 H CYS 97 -7.491 10.915 2.075 708 HA CYS 97 HA CYS 97 -10.402 10.973 1.477 709 HB2 CYS 97 1HB CYS 97 -8.600 9.782 0.063 710 HB3 CYS 97 2HB CYS 97 -8.622 8.569 1.316 711 H GLU 98 H GLU 98 -8.051 9.800 3.910 712 HA GLU 98 HA GLU 98 -9.708 7.833 5.014 713 HB2 GLU 98 1HB GLU 98 -8.195 7.522 6.655 714 HB3 GLU 98 2HB GLU 98 -7.194 8.308 5.450 715 HG2 GLU 98 1HG GLU 98 -7.657 10.474 6.621 716 HG3 GLU 98 2HG GLU 98 -8.542 9.524 7.837 717 H LYS 99 H LYS 99 -9.432 11.303 5.625 718 HA LYS 99 HA LYS 99 -11.453 11.459 7.681 719 HB2 LYS 99 1HB LYS 99 -10.005 13.446 5.934 720 HB3 LYS 99 2HB LYS 99 -11.393 13.943 6.896 721 HG2 LYS 99 1HG LYS 99 -10.221 14.034 8.781 722 HG3 LYS 99 2HG LYS 99 -9.695 12.370 8.625 723 HD2 LYS 99 1HD LYS 99 -7.809 13.890 8.858 724 HD3 LYS 99 2HD LYS 99 -7.768 13.021 7.319 725 HE2 LYS 99 1HE LYS 99 -8.732 15.031 6.181 726 HE3 LYS 99 2HE LYS 99 -8.826 15.855 7.737 727 HZ1 LYS 99 3HZ LYS 99 -6.452 15.272 6.110 728 HZ2 LYS 99 1HZ LYS 99 -6.877 16.659 6.831 729 HZ3 LYS 99 2HZ LYS 99 -6.260 15.479 7.738 730 H SER 100 H SER 100 -11.559 11.852 4.103 731 HA SER 100 HA SER 100 -14.416 12.553 4.288 732 HG SER 100 HG SER 100 -14.778 14.206 2.953 733 HB2 SER 100 1HB SER 100 -12.219 13.084 2.376 734 HB3 SER 100 2HB SER 100 -13.746 12.628 1.619 735 H ALA 101 H ALA 101 -13.068 9.661 4.561 736 HA ALA 101 HA ALA 101 -14.178 8.168 2.537 737 HB1 ALA 101 1HB ALA 101 -14.019 6.312 4.295 738 HB2 ALA 101 2HB ALA 101 -12.532 7.256 4.078 739 HB3 ALA 101 3HB ALA 101 -13.578 7.572 5.471 740 HA PRO 102 HA PRO 102 -18.498 8.467 3.492 741 HB2 PRO 102 1HB PRO 102 -19.483 6.113 2.458 742 HB3 PRO 102 2HB PRO 102 -18.863 7.467 1.461 743 HG2 PRO 102 1HG PRO 102 -17.438 4.945 2.276 744 HG3 PRO 102 2HG PRO 102 -17.488 5.706 0.661 745 HD2 PRO 102 1HD PRO 102 -15.409 6.039 2.427 746 HD3 PRO 102 2HD PRO 102 -15.863 7.353 1.316 747 HA PRO 103 HA PRO 103 -19.065 6.173 7.282 748 HB2 PRO 103 1HB PRO 103 -21.711 6.056 7.676 749 HB3 PRO 103 2HB PRO 103 -20.834 7.622 7.709 750 HG2 PRO 103 1HG PRO 103 -22.400 6.418 5.402 751 HG3 PRO 103 2HG PRO 103 -22.471 8.095 6.023 752 HD2 PRO 103 1HD PRO 103 -20.942 7.361 3.857 753 HD3 PRO 103 2HD PRO 103 -20.439 8.660 4.978 754 H ASN 104 H ASN 104 -18.116 4.367 6.287 755 HA ASN 104 HA ASN 104 -19.793 2.005 6.574 756 HB2 ASN 104 1HB ASN 104 -19.922 2.351 4.106 757 HB3 ASN 104 2HB ASN 104 -18.138 2.371 4.058 758 HD21 ASN 104 2HD2 ASN 104 -17.633 0.508 3.014 759 HD22 ASN 104 1HD2 ASN 104 -18.168 -1.094 3.487 760 H ASP 105 H ASP 105 -18.464 2.392 8.467 761 HA ASP 105 HA ASP 105 -15.645 1.848 8.530 762 HB2 ASP 105 1HB ASP 105 -15.940 2.440 10.582 763 HB3 ASP 105 2HB ASP 105 -17.697 2.376 10.477 764 H ASP 106 H ASP 106 -14.818 0.187 7.697 765 HA ASP 106 HA ASP 106 -15.712 -2.579 8.156 766 HB2 ASP 106 1HB ASP 106 -16.879 -1.639 6.004 767 HB3 ASP 106 2HB ASP 106 -15.244 -1.462 5.388 768 H LYS 107 H LYS 107 -13.803 -3.951 8.018 769 HA LYS 107 HA LYS 107 -11.282 -2.612 8.383 770 HB2 LYS 107 1HB LYS 107 -10.342 -4.701 8.787 771 HB3 LYS 107 2HB LYS 107 -11.928 -4.594 9.511 772 HG2 LYS 107 1HG LYS 107 -12.757 -5.759 7.290 773 HG3 LYS 107 2HG LYS 107 -11.042 -6.233 7.213 774 HD2 LYS 107 1HD LYS 107 -12.746 -6.561 9.630 775 HD3 LYS 107 2HD LYS 107 -12.776 -7.761 8.312 776 HE2 LYS 107 1HE LYS 107 -10.206 -7.903 8.624 777 HE3 LYS 107 2HE LYS 107 -10.470 -7.053 10.164 778 HZ1 LYS 107 3HZ LYS 107 -11.616 -9.626 9.316 779 HZ2 LYS 107 1HZ LYS 107 -10.514 -9.417 10.516 780 HZ3 LYS 107 2HZ LYS 107 -12.068 -8.842 10.692 781 H CYS 108 H CYS 108 -12.977 -4.275 5.793 782 HA CYS 108 HA CYS 108 -10.573 -4.336 4.149 783 HB2 CYS 108 1HB CYS 108 -13.367 -5.026 3.199 784 HB3 CYS 108 2HB CYS 108 -11.863 -5.386 2.437 785 H MET 109 H MET 109 -13.929 -3.102 4.087 786 HA MET 109 HA MET 109 -13.558 -2.011 1.528 787 HB2 MET 109 1HB MET 109 -15.888 -1.467 3.417 788 HB3 MET 109 2HB MET 109 -15.864 -1.172 1.700 789 HG2 MET 109 1HG MET 109 -15.497 -3.902 3.005 790 HG3 MET 109 2HG MET 109 -16.974 -3.316 2.274 791 HE1 MET 109 3HE MET 109 -17.462 -3.070 -0.011 792 HE2 MET 109 1HE MET 109 -16.166 -1.902 -0.428 793 HE3 MET 109 2HE MET 109 -16.405 -3.386 -1.412 794 H LYS 110 H LYS 110 -13.747 -0.334 4.714 795 HA LYS 110 HA LYS 110 -13.764 2.305 3.660 796 HB2 LYS 110 1HB LYS 110 -14.286 1.608 6.021 797 HB3 LYS 110 2HB LYS 110 -12.559 1.268 6.247 798 HG2 LYS 110 1HG LYS 110 -12.284 3.842 5.615 799 HG3 LYS 110 2HG LYS 110 -14.005 3.902 6.051 800 HD2 LYS 110 1HD LYS 110 -13.106 2.487 8.172 801 HD3 LYS 110 2HD LYS 110 -11.591 3.276 7.763 802 HE2 LYS 110 1HE LYS 110 -14.249 4.571 8.503 803 HE3 LYS 110 2HE LYS 110 -12.802 4.456 9.505 804 HZ1 LYS 110 3HZ LYS 110 -11.685 5.909 7.857 805 HZ2 LYS 110 1HZ LYS 110 -13.187 6.090 7.105 806 HZ3 LYS 110 2HZ LYS 110 -12.947 6.602 8.625 807 H THR 111 H THR 111 -11.078 0.077 4.521 808 HA THR 111 HA THR 111 -8.986 1.827 3.725 809 HB THR 111 HB THR 111 -9.267 -1.176 4.052 810 HG1 THR 111 1HG THR 111 -8.015 0.918 5.512 811 HG21 THR 111 3HG2 THR 111 -6.802 -1.319 4.043 812 HG22 THR 111 1HG2 THR 111 -7.463 -0.968 2.439 813 HG23 THR 111 2HG2 THR 111 -6.720 0.337 3.383 814 H ILE 112 H ILE 112 -11.138 -0.284 1.699 815 HA ILE 112 HA ILE 112 -9.456 0.071 -0.621 816 HB ILE 112 HB ILE 112 -12.405 -0.660 -0.424 817 HG12 ILE 112 1HG1 ILE 112 -9.819 -2.193 -0.985 818 HG13 ILE 112 2HG1 ILE 112 -10.783 -2.248 0.472 819 HG21 ILE 112 1HG2 ILE 112 -12.112 0.447 -2.554 820 HG22 ILE 112 2HG2 ILE 112 -10.590 -0.404 -2.859 821 HG23 ILE 112 3HG2 ILE 112 -12.151 -1.265 -2.887 822 HD11 ILE 112 3HD1 ILE 112 -11.256 -4.200 -0.820 823 HD12 ILE 112 1HD1 ILE 112 -12.697 -3.163 -0.867 824 HD13 ILE 112 2HD1 ILE 112 -11.583 -3.248 -2.261 825 H ASP 113 H ASP 113 -12.337 1.860 0.609 826 HA ASP 113 HA ASP 113 -12.492 3.758 -1.471 827 HB2 ASP 113 1HB ASP 113 -13.013 4.074 1.512 828 HB3 ASP 113 2HB ASP 113 -13.220 5.406 0.376 829 H VAL 114 H VAL 114 -10.628 4.024 1.559 830 HA VAL 114 HA VAL 114 -9.312 6.419 0.861 831 HB VAL 114 HB VAL 114 -8.687 4.327 2.972 832 HG11 VAL 114 1HG1 VAL 114 -6.820 5.902 2.887 833 HG12 VAL 114 2HG1 VAL 114 -7.913 7.299 2.948 834 HG13 VAL 114 3HG1 VAL 114 -7.772 6.241 4.339 835 HG21 VAL 114 3HG2 VAL 114 -10.365 6.876 3.118 836 HG22 VAL 114 1HG2 VAL 114 -11.043 5.258 3.091 837 HG23 VAL 114 2HG2 VAL 114 -10.060 5.734 4.457 838 H ALA 115 H ALA 115 -8.318 3.010 0.329 839 HA ALA 115 HA ALA 115 -5.711 3.568 -0.679 840 HB1 ALA 115 1HB ALA 115 -5.842 1.299 -1.651 841 HB2 ALA 115 2HB ALA 115 -6.391 1.310 0.029 842 HB3 ALA 115 3HB ALA 115 -7.579 1.220 -1.281 843 H MET 116 H MET 116 -8.842 3.047 -2.484 844 HA MET 116 HA MET 116 -7.464 3.518 -5.009 845 HB2 MET 116 1HB MET 116 -9.467 3.301 -6.134 846 HB3 MET 116 2HB MET 116 -9.503 2.096 -4.853 847 HG2 MET 116 1HG MET 116 -11.167 3.346 -3.630 848 HG3 MET 116 2HG MET 116 -10.907 4.783 -4.606 849 HE1 MET 116 3HE MET 116 -12.993 1.001 -6.336 850 HE2 MET 116 1HE MET 116 -11.247 1.043 -6.046 851 HE3 MET 116 2HE MET 116 -12.381 1.091 -4.675 852 H CYS 117 H CYS 117 -9.129 5.553 -2.654 853 HA CYS 117 HA CYS 117 -9.188 7.999 -4.016 854 HB2 CYS 117 1HB CYS 117 -9.027 7.068 -1.309 855 HB3 CYS 117 2HB CYS 117 -8.209 8.589 -1.541 856 H PHE 118 H PHE 118 -6.453 6.240 -2.427 857 HA PHE 118 HA PHE 118 -4.636 8.329 -2.485 858 HD1 PHE 118 HD1 PHE 118 -1.683 6.084 -3.785 859 HD2 PHE 118 HD2 PHE 118 -2.970 7.546 0.025 860 HE1 PHE 118 HE1 PHE 118 0.690 6.753 -3.215 861 HE2 PHE 118 HE2 PHE 118 -0.633 8.206 0.567 862 HZ PHE 118 HZ PHE 118 1.173 7.982 -1.229 863 HB2 PHE 118 1HB PHE 118 -4.406 6.096 -1.298 864 HB3 PHE 118 2HB PHE 118 -3.853 5.421 -2.822 865 H LYS 119 H LYS 119 -4.847 5.633 -4.873 866 HA LYS 119 HA LYS 119 -3.236 7.077 -6.792 867 HB2 LYS 119 1HB LYS 119 -3.965 5.361 -8.425 868 HB3 LYS 119 2HB LYS 119 -3.088 4.773 -7.004 869 HG2 LYS 119 1HG LYS 119 -4.973 3.750 -6.068 870 HG3 LYS 119 2HG LYS 119 -6.023 4.907 -6.857 871 HD2 LYS 119 1HD LYS 119 -6.519 2.841 -7.893 872 HD3 LYS 119 2HD LYS 119 -5.570 3.724 -9.076 873 HE2 LYS 119 1HE LYS 119 -4.608 1.484 -7.228 874 HE3 LYS 119 2HE LYS 119 -4.884 1.356 -8.959 875 HZ1 LYS 119 3HZ LYS 119 -2.726 2.869 -7.692 876 HZ2 LYS 119 1HZ LYS 119 -2.636 1.605 -8.751 877 HZ3 LYS 119 2HZ LYS 119 -3.165 3.061 -9.249 878 H LYS 120 H LYS 120 -6.706 7.358 -6.243 879 HA LYS 120 HA LYS 120 -7.291 8.831 -8.647 880 HB2 LYS 120 1HB LYS 120 -8.959 7.870 -7.371 881 HB3 LYS 120 2HB LYS 120 -8.453 8.663 -5.897 882 HG2 LYS 120 1HG LYS 120 -9.312 10.267 -8.312 883 HG3 LYS 120 2HG LYS 120 -10.487 9.567 -7.186 884 HD2 LYS 120 1HD LYS 120 -9.250 10.697 -5.284 885 HD3 LYS 120 2HD LYS 120 -8.293 11.556 -6.505 886 HE2 LYS 120 1HE LYS 120 -9.930 13.077 -6.220 887 HE3 LYS 120 2HE LYS 120 -10.517 12.119 -7.600 888 HZ1 LYS 120 3HZ LYS 120 -11.964 10.924 -6.055 889 HZ2 LYS 120 1HZ LYS 120 -11.282 11.709 -4.763 890 HZ3 LYS 120 2HZ LYS 120 -12.223 12.535 -5.805 891 H GLU 121 H GLU 121 -5.741 9.841 -5.468 892 HA GLU 121 HA GLU 121 -5.753 12.667 -6.404 893 HB2 GLU 121 1HB GLU 121 -5.285 11.209 -3.797 894 HB3 GLU 121 2HB GLU 121 -4.796 12.909 -4.036 895 HG2 GLU 121 1HG GLU 121 -7.188 13.329 -4.713 896 HG3 GLU 121 2HG GLU 121 -7.569 11.691 -4.189 897 H ILE 122 H ILE 122 -3.695 9.872 -6.411 898 HA ILE 122 HA ILE 122 -1.192 11.189 -6.582 899 HB ILE 122 HB ILE 122 -2.335 8.683 -7.773 900 HG12 ILE 122 1HG1 ILE 122 -0.189 9.239 -5.757 901 HG13 ILE 122 2HG1 ILE 122 -1.775 8.853 -5.301 902 HG21 ILE 122 1HG2 ILE 122 -0.084 8.023 -8.568 903 HG22 ILE 122 2HG2 ILE 122 -0.678 9.420 -9.417 904 HG23 ILE 122 3HG2 ILE 122 0.520 9.649 -8.127 905 HD11 ILE 122 3HD1 ILE 122 -0.082 7.009 -5.120 906 HD12 ILE 122 1HD1 ILE 122 -1.577 6.528 -5.935 907 HD13 ILE 122 2HD1 ILE 122 -0.102 6.827 -6.858 908 H HIS 123 H HIS 123 -3.870 10.926 -9.042 909 HA HIS 123 HA HIS 123 -2.290 11.663 -11.239 910 HD1 HIS 123 HD1 HIS 123 -3.482 10.272 -13.659 911 HD2 HIS 123 HD2 HIS 123 -5.691 9.383 -10.173 912 HE1 HIS 123 HE1 HIS 123 -4.134 7.795 -13.807 913 HE2 HIS 123 HE2 HIS 123 -5.446 7.242 -11.645 914 HB2 HIS 123 1HB HIS 123 -5.245 11.993 -10.653 915 HB3 HIS 123 2HB HIS 123 -4.499 12.388 -12.182 916 H LYS 124 H LYS 124 -3.459 13.735 -8.593 917 HA LYS 124 HA LYS 124 -2.948 16.132 -10.242 918 HB2 LYS 124 1HB LYS 124 -3.799 17.404 -8.314 919 HB3 LYS 124 2HB LYS 124 -4.934 16.302 -9.050 920 HG2 LYS 124 1HG LYS 124 -5.362 16.095 -6.772 921 HG3 LYS 124 2HG LYS 124 -4.478 14.661 -7.189 922 HD2 LYS 124 1HD LYS 124 -3.596 15.337 -5.105 923 HD3 LYS 124 2HD LYS 124 -2.362 15.883 -6.251 924 HE2 LYS 124 1HE LYS 124 -3.617 18.105 -6.334 925 HE3 LYS 124 2HE LYS 124 -4.638 17.461 -5.030 926 HZ1 LYS 124 3HZ LYS 124 -2.807 18.902 -4.282 927 HZ2 LYS 124 1HZ LYS 124 -2.712 17.397 -3.611 928 HZ3 LYS 124 2HZ LYS 124 -1.706 17.841 -4.852 929 H LEU 125 H LEU 125 -1.096 14.061 -8.238 930 HA LEU 125 HA LEU 125 0.628 16.051 -7.065 931 HG LEU 125 HG LEU 125 -0.528 13.580 -5.843 932 HB2 LEU 125 1HB LEU 125 1.109 13.123 -7.781 933 HB3 LEU 125 2HB LEU 125 2.247 14.121 -6.929 934 HD11 LEU 125 1HD1 LEU 125 2.129 12.308 -5.072 935 HD12 LEU 125 2HD1 LEU 125 0.503 11.967 -4.417 936 HD13 LEU 125 3HD1 LEU 125 0.899 11.527 -6.082 937 HD21 LEU 125 3HD2 LEU 125 0.688 14.285 -3.683 938 HD22 LEU 125 1HD2 LEU 125 1.987 14.886 -4.712 939 HD23 LEU 125 2HD2 LEU 125 0.353 15.573 -4.842 940 H ASN 126 H ASN 126 0.522 14.507 -10.235 941 HA ASN 126 HA ASN 126 1.576 14.986 -12.176 942 HB2 ASN 126 1HB ASN 126 2.923 17.357 -10.904 943 HB3 ASN 126 2HB ASN 126 2.554 17.113 -12.592 944 HD21 ASN 126 2HD2 ASN 126 -0.298 16.065 -11.788 945 HD22 ASN 126 1HD2 ASN 126 -1.017 17.470 -11.025 946 H TRP 127 H TRP 127 2.913 13.719 -9.735 947 HA TRP 127 HA TRP 127 5.055 12.679 -11.446 948 HD1 TRP 127 HD1 TRP 127 4.529 15.020 -7.951 949 HE1 TRP 127 HE1 TRP 127 4.366 14.624 -5.439 950 HE3 TRP 127 HE3 TRP 127 6.850 10.483 -7.682 951 HZ2 TRP 127 HZ2 TRP 127 4.560 12.372 -3.664 952 HZ3 TRP 127 HZ3 TRP 127 7.078 9.364 -5.439 953 HH2 TRP 127 HH2 TRP 127 5.885 10.177 -3.488 954 HB2 TRP 127 1HB TRP 127 6.505 12.144 -9.576 955 HB3 TRP 127 2HB TRP 127 6.325 13.876 -9.747 956 H VAL 128 H VAL 128 5.509 10.309 -10.718 957 HA VAL 128 HA VAL 128 2.955 9.086 -9.822 958 HB VAL 128 HB VAL 128 5.027 8.114 -11.801 959 HG11 VAL 128 1HG1 VAL 128 3.524 6.117 -12.057 960 HG12 VAL 128 2HG1 VAL 128 4.312 6.190 -10.485 961 HG13 VAL 128 3HG1 VAL 128 2.605 6.671 -10.641 962 HG21 VAL 128 3HG2 VAL 128 3.325 9.723 -12.710 963 HG22 VAL 128 1HG2 VAL 128 3.140 8.101 -13.378 964 HG23 VAL 128 2HG2 VAL 128 2.029 8.670 -12.106 965 HA PRO 129 HA PRO 129 5.926 8.011 -6.583 966 HB2 PRO 129 1HB PRO 129 4.172 6.599 -4.959 967 HB3 PRO 129 2HB PRO 129 4.355 8.382 -4.922 968 HG2 PRO 129 1HG PRO 129 2.276 6.713 -6.305 969 HG3 PRO 129 2HG PRO 129 2.086 8.243 -5.377 970 HD2 PRO 129 1HD PRO 129 2.187 8.090 -8.128 971 HD3 PRO 129 2HD PRO 129 2.802 9.519 -7.228 972 H ASN 130 H ASN 130 7.052 6.183 -6.140 973 HA ASN 130 HA ASN 130 7.111 3.933 -7.776 974 HB2 ASN 130 1HB ASN 130 7.737 4.071 -4.773 975 HB3 ASN 130 2HB ASN 130 8.079 2.676 -5.771 976 HD21 ASN 130 2HD2 ASN 130 9.271 5.784 -4.823 977 HD22 ASN 130 1HD2 ASN 130 10.787 5.608 -5.643 978 H MET 131 H MET 131 6.105 1.853 -7.723 979 HA MET 131 HA MET 131 3.559 1.544 -6.572 980 HB2 MET 131 1HB MET 131 3.773 -0.831 -6.992 981 HB3 MET 131 2HB MET 131 4.381 0.100 -8.346 982 HG2 MET 131 1HG MET 131 6.333 -0.940 -8.277 983 HG3 MET 131 2HG MET 131 6.628 -0.437 -6.625 984 HE1 MET 131 3HE MET 131 4.358 -1.901 -4.963 985 HE2 MET 131 1HE MET 131 5.194 -3.397 -4.506 986 HE3 MET 131 2HE MET 131 6.074 -1.854 -4.487 987 H ASP 132 H ASP 132 6.714 1.231 -5.050 988 HA ASP 132 HA ASP 132 5.928 -0.217 -2.714 989 HB2 ASP 132 1HB ASP 132 8.095 1.905 -2.729 990 HB3 ASP 132 2HB ASP 132 7.980 0.461 -1.738 991 H LEU 133 H LEU 133 6.319 3.349 -3.326 992 HA LEU 133 HA LEU 133 5.540 4.392 -0.893 993 HG LEU 133 HG LEU 133 6.080 7.288 -1.848 994 HB2 LEU 133 1HB LEU 133 5.574 5.199 -3.781 995 HB3 LEU 133 2HB LEU 133 4.488 6.105 -2.785 996 HD11 LEU 133 1HD1 LEU 133 8.052 5.047 -1.843 997 HD12 LEU 133 2HD1 LEU 133 8.340 6.747 -1.333 998 HD13 LEU 133 3HD1 LEU 133 7.121 5.789 -0.490 999 HD21 LEU 133 3HD2 LEU 133 7.940 7.844 -3.311 1000 HD22 LEU 133 1HD2 LEU 133 7.691 6.326 -4.196 1001 HD23 LEU 133 2HD2 LEU 133 6.453 7.592 -4.216 1002 H VAL 134 H VAL 134 3.474 3.412 -3.653 1003 HA VAL 134 HA VAL 134 1.085 4.477 -2.561 1004 HB VAL 134 HB VAL 134 1.400 2.152 -4.515 1005 HG11 VAL 134 1HG1 VAL 134 -0.814 2.761 -5.304 1006 HG12 VAL 134 2HG1 VAL 134 -0.907 2.562 -3.544 1007 HG13 VAL 134 3HG1 VAL 134 -0.856 4.172 -4.215 1008 HG21 VAL 134 3HG2 VAL 134 2.598 4.108 -5.416 1009 HG22 VAL 134 1HG2 VAL 134 1.089 3.899 -6.287 1010 HG23 VAL 134 2HG2 VAL 134 1.229 5.149 -5.030 1011 H ILE 135 H ILE 135 2.491 1.176 -2.276 1012 HA ILE 135 HA ILE 135 0.240 0.211 -0.703 1013 HB ILE 135 HB ILE 135 3.039 -0.929 -1.035 1014 HG12 ILE 135 1HG1 ILE 135 0.542 -1.910 -2.408 1015 HG13 ILE 135 2HG1 ILE 135 1.609 -0.717 -3.179 1016 HG21 ILE 135 1HG2 ILE 135 2.007 -1.933 0.901 1017 HG22 ILE 135 2HG2 ILE 135 0.419 -2.024 0.100 1018 HG23 ILE 135 3HG2 ILE 135 1.721 -3.101 -0.390 1019 HD11 ILE 135 3HD1 ILE 135 2.182 -2.843 -4.059 1020 HD12 ILE 135 1HD1 ILE 135 3.484 -2.331 -2.969 1021 HD13 ILE 135 2HD1 ILE 135 2.316 -3.567 -2.453 1022 H GLY 136 H GLY 136 3.650 1.031 -0.003 1023 HA2 GLY 136 1HA GLY 136 3.877 0.888 2.665 1024 HA3 GLY 136 2HA GLY 136 4.580 2.214 1.734 1025 H GLU 137 H GLU 137 2.087 3.669 1.072 1026 HA GLU 137 HA GLU 137 1.861 4.995 3.650 1027 HB2 GLU 137 1HB GLU 137 0.636 5.461 0.935 1028 HB3 GLU 137 2HB GLU 137 0.009 6.318 2.344 1029 HG2 GLU 137 1HG GLU 137 2.914 6.371 1.463 1030 HG3 GLU 137 2HG GLU 137 1.661 7.547 1.089 1031 H VAL 138 H VAL 138 -0.630 3.235 1.646 1032 HA VAL 138 HA VAL 138 -2.598 3.461 3.574 1033 HB VAL 138 HB VAL 138 -2.699 2.709 1.223 1034 HG11 VAL 138 1HG1 VAL 138 -1.957 -0.031 2.154 1035 HG12 VAL 138 2HG1 VAL 138 -2.900 0.303 0.696 1036 HG13 VAL 138 3HG1 VAL 138 -1.283 0.952 0.828 1037 HG21 VAL 138 3HG2 VAL 138 -4.756 1.436 1.590 1038 HG22 VAL 138 1HG2 VAL 138 -4.214 1.071 3.253 1039 HG23 VAL 138 2HG2 VAL 138 -4.583 2.734 2.781 1040 H LEU 139 H LEU 139 -0.232 0.839 3.242 1041 HA LEU 139 HA LEU 139 -0.716 -0.608 5.564 1042 HG LEU 139 HG LEU 139 0.549 -2.452 5.045 1043 HB2 LEU 139 1HB LEU 139 1.748 0.046 3.920 1044 HB3 LEU 139 2HB LEU 139 2.015 -0.666 5.503 1045 HD11 LEU 139 1HD1 LEU 139 -0.252 -3.043 2.762 1046 HD12 LEU 139 2HD1 LEU 139 -1.066 -1.700 3.569 1047 HD13 LEU 139 3HD1 LEU 139 0.113 -1.365 2.292 1048 HD21 LEU 139 3HD2 LEU 139 2.040 -3.603 3.279 1049 HD22 LEU 139 1HD2 LEU 139 2.788 -2.015 3.030 1050 HD23 LEU 139 2HD2 LEU 139 2.891 -2.804 4.613 1051 H ALA 140 H ALA 140 0.995 2.445 5.386 1052 HA ALA 140 HA ALA 140 1.786 2.377 8.199 1053 HB1 ALA 140 1HB ALA 140 2.402 4.790 7.712 1054 HB2 ALA 140 2HB ALA 140 3.196 3.589 6.657 1055 HB3 ALA 140 3HB ALA 140 1.830 4.555 6.065 1056 H GLU 141 H GLU 141 -0.830 3.878 6.307 1057 HA GLU 141 HA GLU 141 -1.843 5.451 8.471 1058 HB2 GLU 141 1HB GLU 141 -2.138 5.859 6.006 1059 HB3 GLU 141 2HB GLU 141 -3.249 4.504 5.921 1060 HG2 GLU 141 1HG GLU 141 -3.685 7.050 7.569 1061 HG3 GLU 141 2HG GLU 141 -4.302 6.819 5.952 1062 H VAL 142 H VAL 142 -3.009 2.430 6.943 1063 HA VAL 142 HA VAL 142 -5.107 1.856 8.703 1064 HB VAL 142 HB VAL 142 -3.502 0.175 6.727 1065 HG11 VAL 142 1HG1 VAL 142 -6.192 -0.454 8.010 1066 HG12 VAL 142 2HG1 VAL 142 -5.611 -1.197 6.500 1067 HG13 VAL 142 3HG1 VAL 142 -4.715 -1.451 7.986 1068 HG21 VAL 142 3HG2 VAL 142 -4.680 2.202 5.782 1069 HG22 VAL 142 1HG2 VAL 142 -5.388 0.697 5.215 1070 HG23 VAL 142 2HG2 VAL 142 -6.181 1.623 6.510 Start of MODEL 11 1 HA SER 1 HA SER 1 28.658 -9.683 -5.160 2 HG SER 1 HG SER 1 28.484 -10.440 -8.828 3 H1 SER 1 H SER 1 28.006 -11.828 -6.283 4 HB2 SER 1 1HB SER 1 27.397 -9.001 -7.804 5 HB3 SER 1 2HB SER 1 29.002 -8.583 -7.171 6 HA PRO 2 HA PRO 2 25.003 -7.071 -4.152 7 HB2 PRO 2 1HB PRO 2 25.409 -4.547 -5.129 8 HB3 PRO 2 2HB PRO 2 26.217 -5.173 -3.658 9 HG2 PRO 2 1HG PRO 2 27.328 -4.924 -6.444 10 HG3 PRO 2 2HG PRO 2 28.144 -4.612 -4.888 11 HD2 PRO 2 1HD PRO 2 28.393 -6.896 -6.389 12 HD3 PRO 2 2HD PRO 2 28.667 -6.910 -4.634 13 H GLU 3 H GLU 3 23.825 -8.425 -5.454 14 HA GLU 3 HA GLU 3 23.816 -8.010 -8.392 15 HB2 GLU 3 1HB GLU 3 25.339 -9.646 -7.455 16 HB3 GLU 3 2HB GLU 3 24.021 -10.487 -6.636 17 HG2 GLU 3 1HG GLU 3 23.140 -11.273 -8.729 18 HG3 GLU 3 2HG GLU 3 24.177 -10.164 -9.647 19 H ILE 4 H ILE 4 22.134 -9.823 -5.820 20 HA ILE 4 HA ILE 4 19.627 -8.507 -6.409 21 HB ILE 4 HB ILE 4 18.382 -10.662 -6.124 22 HG12 ILE 4 1HG1 ILE 4 20.951 -11.915 -7.233 23 HG13 ILE 4 2HG1 ILE 4 20.378 -12.135 -5.581 24 HG21 ILE 4 1HG2 ILE 4 18.136 -10.890 -8.480 25 HG22 ILE 4 2HG2 ILE 4 18.658 -9.224 -8.254 26 HG23 ILE 4 3HG2 ILE 4 19.823 -10.429 -8.794 27 HD11 ILE 4 3HD1 ILE 4 18.231 -13.036 -6.463 28 HD12 ILE 4 1HD1 ILE 4 18.946 -12.996 -8.094 29 HD13 ILE 4 2HD1 ILE 4 19.664 -14.028 -6.841 30 H MET 5 H MET 5 20.625 -7.426 -4.653 31 HA MET 5 HA MET 5 21.143 -8.654 -2.087 32 HB2 MET 5 1HB MET 5 21.189 -6.454 -1.234 33 HB3 MET 5 2HB MET 5 21.780 -6.332 -2.890 34 HG2 MET 5 1HG MET 5 19.645 -5.453 -3.649 35 HG3 MET 5 2HG MET 5 18.943 -5.645 -2.049 36 HE1 MET 5 3HE MET 5 21.251 -4.507 -0.008 37 HE2 MET 5 1HE MET 5 20.460 -2.925 0.125 38 HE3 MET 5 2HE MET 5 19.477 -4.398 0.008 39 H LYS 6 H LYS 6 19.635 -8.184 -0.092 40 HA LYS 6 HA LYS 6 17.048 -9.315 -0.425 41 HB2 LYS 6 1HB LYS 6 18.200 -7.530 1.741 42 HB3 LYS 6 2HB LYS 6 16.509 -8.036 1.744 43 HG2 LYS 6 1HG LYS 6 17.342 -10.462 1.613 44 HG3 LYS 6 2HG LYS 6 18.955 -9.818 1.909 45 HD2 LYS 6 1HD LYS 6 18.125 -10.415 4.071 46 HD3 LYS 6 2HD LYS 6 17.935 -8.657 3.994 47 HE2 LYS 6 1HE LYS 6 15.514 -9.137 3.165 48 HE3 LYS 6 2HE LYS 6 15.824 -10.816 3.614 49 HZ1 LYS 6 3HZ LYS 6 15.768 -8.480 5.414 50 HZ2 LYS 6 1HZ LYS 6 14.765 -9.809 5.425 51 HZ3 LYS 6 2HZ LYS 6 16.295 -9.971 5.890 52 H ASN 7 H ASN 7 15.744 -8.509 -2.002 53 HA ASN 7 HA ASN 7 15.406 -5.614 -2.248 54 HB2 ASN 7 1HB ASN 7 14.322 -6.177 -4.432 55 HB3 ASN 7 2HB ASN 7 16.045 -6.488 -4.290 56 HD21 ASN 7 2HD2 ASN 7 16.793 -8.585 -4.007 57 HD22 ASN 7 1HD2 ASN 7 15.780 -9.971 -4.343 58 H LEU 8 H LEU 8 13.375 -4.766 -2.691 59 HA LEU 8 HA LEU 8 11.144 -5.988 -1.184 60 HG LEU 8 HG LEU 8 11.016 -4.640 0.320 61 HB2 LEU 8 1HB LEU 8 11.816 -3.265 -2.240 62 HB3 LEU 8 2HB LEU 8 10.106 -3.710 -2.133 63 HD11 LEU 8 1HD1 LEU 8 13.251 -3.732 0.035 64 HD12 LEU 8 2HD1 LEU 8 12.603 -2.108 -0.232 65 HD13 LEU 8 3HD1 LEU 8 12.395 -2.919 1.337 66 HD21 LEU 8 3HD2 LEU 8 8.999 -3.513 -0.009 67 HD22 LEU 8 1HD2 LEU 8 9.906 -2.695 1.264 68 HD23 LEU 8 2HD2 LEU 8 9.793 -1.974 -0.375 69 H SER 9 H SER 9 11.488 -7.679 -2.561 70 HA SER 9 HA SER 9 9.169 -7.691 -4.370 71 HG SER 9 HG SER 9 9.082 -9.024 -6.059 72 HB2 SER 9 1HB SER 9 11.555 -7.873 -5.615 73 HB3 SER 9 2HB SER 9 11.439 -9.552 -5.089 74 H ASN 10 H ASN 10 11.680 -9.912 -3.050 75 HA ASN 10 HA ASN 10 10.057 -12.014 -2.413 76 HB2 ASN 10 1HB ASN 10 12.290 -11.335 -0.501 77 HB3 ASN 10 2HB ASN 10 11.718 -12.907 -1.042 78 HD21 ASN 10 2HD2 ASN 10 14.164 -10.720 -1.300 79 HD22 ASN 10 1HD2 ASN 10 14.806 -11.229 -2.868 80 H ASN 11 H ASN 11 10.797 -9.254 -0.313 81 HA ASN 11 HA ASN 11 9.555 -10.371 2.061 82 HB2 ASN 11 1HB ASN 11 10.395 -7.515 1.400 83 HB3 ASN 11 2HB ASN 11 9.907 -8.105 2.988 84 HD21 ASN 11 2HD2 ASN 11 12.685 -7.335 1.415 85 HD22 ASN 11 1HD2 ASN 11 13.689 -8.667 1.915 86 H PHE 12 H PHE 12 8.605 -7.927 -0.292 87 HA PHE 12 HA PHE 12 6.093 -7.274 0.688 88 HD1 PHE 12 HD2 PHE 12 4.659 -5.826 -0.051 89 HD2 PHE 12 HD1 PHE 12 8.042 -4.905 -2.543 90 HE1 PHE 12 HE2 PHE 12 4.358 -3.398 0.410 91 HE2 PHE 12 HE1 PHE 12 7.632 -2.481 -2.206 92 HZ PHE 12 HZ PHE 12 5.769 -1.713 -0.759 93 HB2 PHE 12 1HB PHE 12 7.645 -7.123 -1.871 94 HB3 PHE 12 2HB PHE 12 5.963 -7.360 -2.208 95 H GLY 13 H GLY 13 6.985 -9.705 -1.829 96 HA2 GLY 13 1HA GLY 13 4.395 -10.858 -2.059 97 HA3 GLY 13 2HA GLY 13 5.914 -11.486 -2.697 98 H LYS 14 H LYS 14 6.739 -11.265 0.509 99 HA LYS 14 HA LYS 14 5.965 -14.026 1.090 100 HB2 LYS 14 1HB LYS 14 8.095 -13.670 1.894 101 HB3 LYS 14 2HB LYS 14 7.841 -11.959 2.228 102 HG2 LYS 14 1HG LYS 14 6.511 -12.460 4.151 103 HG3 LYS 14 2HG LYS 14 6.702 -14.210 3.883 104 HD2 LYS 14 1HD LYS 14 9.274 -13.677 4.038 105 HD3 LYS 14 2HD LYS 14 8.746 -12.121 4.695 106 HE2 LYS 14 1HE LYS 14 7.344 -13.589 6.371 107 HE3 LYS 14 2HE LYS 14 8.352 -14.917 5.839 108 HZ1 LYS 14 3HZ LYS 14 10.208 -13.965 6.835 109 HZ2 LYS 14 1HZ LYS 14 9.623 -12.436 6.806 110 HZ3 LYS 14 2HZ LYS 14 9.034 -13.525 7.888 111 H ALA 15 H ALA 15 5.525 -10.743 2.631 112 HA ALA 15 HA ALA 15 3.464 -11.380 4.279 113 HB1 ALA 15 1HB ALA 15 4.664 -9.056 3.677 114 HB2 ALA 15 2HB ALA 15 3.316 -8.832 2.609 115 HB3 ALA 15 3HB ALA 15 3.028 -9.045 4.371 116 H MET 16 H MET 16 3.009 -10.507 0.860 117 HA MET 16 HA MET 16 0.269 -10.616 0.578 118 HB2 MET 16 1HB MET 16 2.116 -10.091 -1.152 119 HB3 MET 16 2HB MET 16 2.254 -11.833 -1.408 120 HG2 MET 16 1HG MET 16 -0.114 -10.040 -1.895 121 HG3 MET 16 2HG MET 16 0.842 -10.859 -3.102 122 HE1 MET 16 3HE MET 16 -2.245 -10.696 -1.157 123 HE2 MET 16 1HE MET 16 -2.559 -10.918 -2.887 124 HE3 MET 16 2HE MET 16 -3.142 -12.121 -1.686 125 H ASP 17 H ASP 17 2.603 -13.301 0.389 126 HA ASP 17 HA ASP 17 0.709 -15.387 -0.203 127 HB2 ASP 17 1HB ASP 17 3.206 -15.085 -0.770 128 HB3 ASP 17 2HB ASP 17 3.567 -15.539 0.893 129 H GLN 18 H GLN 18 2.410 -14.312 2.723 130 HA GLN 18 HA GLN 18 1.449 -16.276 4.532 131 HB2 GLN 18 1HB GLN 18 1.982 -13.330 5.148 132 HB3 GLN 18 2HB GLN 18 1.898 -14.652 6.296 133 HG2 GLN 18 1HG GLN 18 3.866 -15.492 4.469 134 HG3 GLN 18 2HG GLN 18 4.126 -13.751 4.626 135 HE21 GLN 18 2HE2 GLN 18 5.504 -16.364 5.659 136 HE22 GLN 18 1HE2 GLN 18 5.863 -15.937 7.322 137 H CYS 19 H CYS 19 0.016 -13.097 3.521 138 HA CYS 19 HA CYS 19 -2.352 -13.438 5.113 139 HB2 CYS 19 1HB CYS 19 -1.505 -11.623 2.845 140 HB3 CYS 19 2HB CYS 19 -3.052 -11.464 3.686 141 H LYS 20 H LYS 20 -1.488 -14.224 1.707 142 HA LYS 20 HA LYS 20 -4.087 -14.837 0.802 143 HB2 LYS 20 1HB LYS 20 -2.062 -14.485 -0.599 144 HB3 LYS 20 2HB LYS 20 -1.473 -16.062 -0.109 145 HG2 LYS 20 1HG LYS 20 -3.676 -17.013 -1.097 146 HG3 LYS 20 2HG LYS 20 -3.931 -15.408 -1.713 147 HD2 LYS 20 1HD LYS 20 -2.819 -16.498 -3.513 148 HD3 LYS 20 2HD LYS 20 -1.471 -15.706 -2.692 149 HE2 LYS 20 1HE LYS 20 -0.709 -17.925 -2.951 150 HE3 LYS 20 2HE LYS 20 -1.302 -17.901 -1.284 151 HZ1 LYS 20 3HZ LYS 20 -2.886 -18.897 -3.578 152 HZ2 LYS 20 1HZ LYS 20 -2.015 -19.841 -2.542 153 HZ3 LYS 20 2HZ LYS 20 -3.291 -18.999 -1.994 154 H ASP 21 H ASP 21 -2.095 -16.482 3.035 155 HA ASP 21 HA ASP 21 -3.605 -19.037 2.817 156 HB2 ASP 21 1HB ASP 21 -1.244 -19.401 2.686 157 HB3 ASP 21 2HB ASP 21 -0.939 -18.279 4.024 158 H GLU 22 H GLU 22 -2.269 -16.819 5.326 159 HA GLU 22 HA GLU 22 -3.750 -17.749 7.496 160 HB2 GLU 22 1HB GLU 22 -2.847 -14.901 6.818 161 HB3 GLU 22 2HB GLU 22 -3.639 -15.347 8.321 162 HG2 GLU 22 1HG GLU 22 -1.660 -17.152 8.445 163 HG3 GLU 22 2HG GLU 22 -0.834 -15.953 7.451 164 H LEU 23 H LEU 23 -4.642 -15.462 4.909 165 HA LEU 23 HA LEU 23 -7.439 -15.391 6.024 166 HG LEU 23 HG LEU 23 -5.173 -12.975 5.922 167 HB2 LEU 23 1HB LEU 23 -6.259 -13.705 3.823 168 HB3 LEU 23 2HB LEU 23 -7.834 -13.530 4.556 169 HD11 LEU 23 1HD1 LEU 23 -5.849 -11.245 4.359 170 HD12 LEU 23 2HD1 LEU 23 -7.502 -11.234 5.017 171 HD13 LEU 23 3HD1 LEU 23 -6.147 -10.662 6.005 172 HD21 LEU 23 3HD2 LEU 23 -6.730 -13.897 7.598 173 HD22 LEU 23 1HD2 LEU 23 -6.511 -12.176 7.848 174 HD23 LEU 23 2HD2 LEU 23 -8.003 -12.780 7.064 175 H SER 24 H SER 24 -5.632 -16.991 3.525 176 HA SER 24 HA SER 24 -6.357 -18.314 1.825 177 HG SER 24 HG SER 24 -8.515 -20.582 2.605 178 HB2 SER 24 1HB SER 24 -7.858 -19.042 3.720 179 HB3 SER 24 2HB SER 24 -9.164 -18.181 2.927 180 H LEU 25 H LEU 25 -5.981 -15.616 1.152 181 HA LEU 25 HA LEU 25 -8.334 -14.547 -0.110 182 HG LEU 25 HG LEU 25 -5.613 -12.753 1.421 183 HB2 LEU 25 1HB LEU 25 -5.426 -13.725 -0.641 184 HB3 LEU 25 2HB LEU 25 -6.856 -12.964 -1.255 185 HD11 LEU 25 1HD1 LEU 25 -7.536 -11.020 -0.185 186 HD12 LEU 25 2HD1 LEU 25 -6.523 -10.546 1.197 187 HD13 LEU 25 3HD1 LEU 25 -5.776 -11.070 -0.343 188 HD21 LEU 25 3HD2 LEU 25 -8.664 -12.587 1.154 189 HD22 LEU 25 1HD2 LEU 25 -7.841 -13.780 2.158 190 HD23 LEU 25 2HD2 LEU 25 -7.721 -12.063 2.556 191 HA PRO 26 HA PRO 26 -8.081 -17.358 -3.525 192 HB2 PRO 26 1HB PRO 26 -9.804 -16.230 -5.327 193 HB3 PRO 26 2HB PRO 26 -10.355 -17.064 -3.873 194 HG2 PRO 26 1HG PRO 26 -10.007 -14.121 -4.274 195 HG3 PRO 26 2HG PRO 26 -11.392 -14.959 -3.508 196 HD2 PRO 26 1HD PRO 26 -9.383 -13.799 -2.039 197 HD3 PRO 26 2HD PRO 26 -10.175 -15.305 -1.512 198 H ASP 27 H ASP 27 -7.169 -17.481 -5.571 199 HA ASP 27 HA ASP 27 -5.038 -15.846 -6.208 200 HB2 ASP 27 1HB ASP 27 -5.470 -18.139 -7.076 201 HB3 ASP 27 2HB ASP 27 -6.699 -17.478 -8.166 202 H SER 28 H SER 28 -8.404 -15.446 -7.137 203 HA SER 28 HA SER 28 -8.142 -13.635 -9.293 204 HG SER 28 HG SER 28 -11.373 -14.163 -6.932 205 HB2 SER 28 1HB SER 28 -10.517 -13.081 -8.523 206 HB3 SER 28 2HB SER 28 -10.196 -14.753 -9.031 207 H VAL 29 H VAL 29 -8.648 -13.291 -5.767 208 HA VAL 29 HA VAL 29 -8.616 -10.392 -5.849 209 HB VAL 29 HB VAL 29 -8.538 -12.438 -3.604 210 HG11 VAL 29 1HG1 VAL 29 -7.442 -10.554 -2.645 211 HG12 VAL 29 2HG1 VAL 29 -8.584 -9.408 -3.392 212 HG13 VAL 29 3HG1 VAL 29 -9.095 -10.514 -2.088 213 HG21 VAL 29 3HG2 VAL 29 -10.813 -11.730 -3.210 214 HG22 VAL 29 1HG2 VAL 29 -10.684 -10.422 -4.419 215 HG23 VAL 29 2HG2 VAL 29 -10.681 -12.115 -4.926 216 H VAL 30 H VAL 30 -6.133 -12.891 -5.351 217 HA VAL 30 HA VAL 30 -4.014 -11.099 -4.480 218 HB VAL 30 HB VAL 30 -4.076 -13.838 -5.834 219 HG11 VAL 30 1HG1 VAL 30 -1.738 -12.343 -4.651 220 HG12 VAL 30 2HG1 VAL 30 -1.750 -14.108 -4.868 221 HG13 VAL 30 3HG1 VAL 30 -1.904 -13.036 -6.268 222 HG21 VAL 30 3HG2 VAL 30 -4.823 -13.175 -3.194 223 HG22 VAL 30 1HG2 VAL 30 -4.459 -14.770 -3.855 224 HG23 VAL 30 2HG2 VAL 30 -3.190 -13.838 -3.054 225 H ALA 31 H ALA 31 -4.859 -12.528 -7.687 226 HA ALA 31 HA ALA 31 -2.803 -11.110 -9.095 227 HB1 ALA 31 1HB ALA 31 -4.140 -11.802 -11.103 228 HB2 ALA 31 2HB ALA 31 -3.844 -13.158 -9.980 229 HB3 ALA 31 3HB ALA 31 -5.419 -12.347 -10.001 230 H ASP 32 H ASP 32 -6.244 -10.475 -8.431 231 HA ASP 32 HA ASP 32 -6.533 -8.054 -9.892 232 HB2 ASP 32 1HB ASP 32 -7.825 -8.960 -7.280 233 HB3 ASP 32 2HB ASP 32 -8.255 -7.473 -8.095 234 H LEU 33 H LEU 33 -5.246 -8.688 -6.625 235 HA LEU 33 HA LEU 33 -4.858 -5.937 -5.940 236 HG LEU 33 HG LEU 33 -4.966 -7.634 -2.901 237 HB2 LEU 33 1HB LEU 33 -4.220 -8.540 -4.776 238 HB3 LEU 33 2HB LEU 33 -2.823 -7.553 -4.724 239 HD11 LEU 33 1HD1 LEU 33 -3.648 -6.066 -1.653 240 HD12 LEU 33 2HD1 LEU 33 -2.614 -7.225 -2.537 241 HD13 LEU 33 3HD1 LEU 33 -2.814 -5.550 -3.145 242 HD21 LEU 33 3HD2 LEU 33 -5.859 -5.453 -2.608 243 HD22 LEU 33 1HD2 LEU 33 -5.082 -4.868 -4.082 244 HD23 LEU 33 2HD2 LEU 33 -6.353 -6.128 -4.167 245 H TYR 34 H TYR 34 -2.556 -8.327 -7.325 246 HA TYR 34 HA TYR 34 -0.520 -6.402 -7.781 247 HD1 TYR 34 HD1 TYR 34 2.076 -7.520 -8.140 248 HD2 TYR 34 HD2 TYR 34 -1.033 -10.381 -7.307 249 HE1 TYR 34 HE1 TYR 34 3.480 -8.530 -6.384 250 HE2 TYR 34 HE2 TYR 34 0.325 -11.368 -5.510 251 HH TYR 34 HH TYR 34 2.428 -11.488 -4.618 252 HB2 TYR 34 1HB TYR 34 -1.182 -8.945 -9.257 253 HB3 TYR 34 2HB TYR 34 0.170 -7.915 -9.714 254 H ASN 35 H ASN 35 -3.472 -6.953 -9.773 255 HA ASN 35 HA ASN 35 -2.630 -5.327 -12.013 256 HB2 ASN 35 1HB ASN 35 -5.428 -5.969 -11.031 257 HB3 ASN 35 2HB ASN 35 -5.050 -5.098 -12.509 258 HD21 ASN 35 2HD2 ASN 35 -6.533 -7.514 -12.369 259 HD22 ASN 35 1HD2 ASN 35 -5.688 -8.759 -13.243 260 H PHE 36 H PHE 36 -4.169 -4.568 -8.913 261 HA PHE 36 HA PHE 36 -5.013 -1.954 -9.488 262 HD1 PHE 36 HD2 PHE 36 -7.202 -1.442 -7.427 263 HD2 PHE 36 HD1 PHE 36 -3.144 -0.882 -6.042 264 HE1 PHE 36 HE2 PHE 36 -7.893 0.585 -6.154 265 HE2 PHE 36 HE1 PHE 36 -3.850 1.117 -4.774 266 HZ PHE 36 HZ PHE 36 -6.216 1.754 -4.703 267 HB2 PHE 36 1HB PHE 36 -5.508 -3.353 -7.410 268 HB3 PHE 36 2HB PHE 36 -3.892 -3.023 -6.858 269 H TRP 37 H TRP 37 -1.908 -2.880 -7.917 270 HA TRP 37 HA TRP 37 -1.028 -0.136 -8.061 271 HD1 TRP 37 HD1 TRP 37 -0.477 -4.348 -6.812 272 HE1 TRP 37 HE1 TRP 37 -1.587 -4.877 -4.576 273 HE3 TRP 37 HE3 TRP 37 -0.296 0.293 -4.669 274 HZ2 TRP 37 HZ2 TRP 37 -1.736 -3.619 -1.946 275 HZ3 TRP 37 HZ3 TRP 37 -0.829 0.574 -2.266 276 HH2 TRP 37 HH2 TRP 37 -1.460 -1.403 -0.876 277 HB2 TRP 37 1HB TRP 37 0.956 -2.369 -7.693 278 HB3 TRP 37 2HB TRP 37 0.868 -0.814 -6.886 279 H LYS 38 H LYS 38 -1.093 -2.618 -10.445 280 HA LYS 38 HA LYS 38 1.454 -2.235 -11.754 281 HB2 LYS 38 1HB LYS 38 -1.152 -3.622 -12.331 282 HB3 LYS 38 2HB LYS 38 -0.192 -3.158 -13.725 283 HG2 LYS 38 1HG LYS 38 1.648 -4.479 -13.105 284 HG3 LYS 38 2HG LYS 38 0.994 -4.834 -11.493 285 HD2 LYS 38 1HD LYS 38 -0.741 -6.215 -12.413 286 HD3 LYS 38 2HD LYS 38 -0.474 -5.586 -14.052 287 HE2 LYS 38 1HE LYS 38 1.766 -6.644 -14.070 288 HE3 LYS 38 2HE LYS 38 1.464 -7.328 -12.464 289 HZ1 LYS 38 3HZ LYS 38 -0.304 -8.649 -13.412 290 HZ2 LYS 38 1HZ LYS 38 -0.199 -7.853 -14.855 291 HZ3 LYS 38 2HZ LYS 38 1.012 -8.813 -14.410 292 H ASP 39 H ASP 39 -1.830 -1.419 -12.899 293 HA ASP 39 HA ASP 39 -0.633 0.936 -14.307 294 HB2 ASP 39 1HB ASP 39 -2.900 -0.890 -15.187 295 HB3 ASP 39 2HB ASP 39 -2.347 0.550 -16.035 296 H ASP 40 H ASP 40 -4.039 0.056 -14.021 297 HA ASP 40 HA ASP 40 -4.678 2.552 -12.567 298 HB2 ASP 40 1HB ASP 40 -5.596 3.571 -14.425 299 HB3 ASP 40 2HB ASP 40 -4.113 2.890 -15.073 300 H TYR 41 H TYR 41 -5.246 -0.572 -12.457 301 HA TYR 41 HA TYR 41 -8.047 -0.865 -13.013 302 HD1 TYR 41 HD1 TYR 41 -6.959 -2.764 -9.363 303 HD2 TYR 41 HD2 TYR 41 -8.990 -3.817 -13.003 304 HE1 TYR 41 HE1 TYR 41 -8.512 -4.118 -8.058 305 HE2 TYR 41 HE2 TYR 41 -10.564 -5.254 -11.698 306 HH TYR 41 HH TYR 41 -9.896 -6.005 -8.291 307 HB2 TYR 41 1HB TYR 41 -6.693 -2.801 -13.015 308 HB3 TYR 41 2HB TYR 41 -5.924 -2.384 -11.503 309 H VAL 42 H VAL 42 -9.739 -1.304 -11.409 310 HA VAL 42 HA VAL 42 -9.531 0.257 -8.891 311 HB VAL 42 HB VAL 42 -11.578 0.395 -11.106 312 HG11 VAL 42 1HG1 VAL 42 -12.154 0.811 -8.155 313 HG12 VAL 42 2HG1 VAL 42 -13.081 1.626 -9.437 314 HG13 VAL 42 3HG1 VAL 42 -13.067 -0.132 -9.345 315 HG21 VAL 42 3HG2 VAL 42 -11.382 2.818 -10.582 316 HG22 VAL 42 1HG2 VAL 42 -10.238 2.447 -9.291 317 HG23 VAL 42 2HG2 VAL 42 -9.811 2.091 -10.979 318 H MET 43 H MET 43 -9.980 -0.892 -7.203 319 HA MET 43 HA MET 43 -10.917 -3.643 -7.189 320 HB2 MET 43 1HB MET 43 -10.443 -1.462 -5.124 321 HB3 MET 43 2HB MET 43 -11.170 -3.008 -4.681 322 HG2 MET 43 1HG MET 43 -9.206 -4.194 -5.452 323 HG3 MET 43 2HG MET 43 -8.398 -2.675 -5.849 324 HE1 MET 43 3HE MET 43 -6.940 -1.359 -4.041 325 HE2 MET 43 1HE MET 43 -8.557 -0.656 -3.816 326 HE3 MET 43 2HE MET 43 -7.580 -1.115 -2.397 327 H THR 44 H THR 44 -13.015 -4.322 -7.003 328 HA THR 44 HA THR 44 -14.978 -2.525 -5.700 329 HB THR 44 HB THR 44 -16.710 -3.408 -7.275 330 HG1 THR 44 1HG THR 44 -15.861 -5.134 -8.211 331 HG21 THR 44 3HG2 THR 44 -16.203 -1.949 -9.130 332 HG22 THR 44 1HG2 THR 44 -15.646 -1.166 -7.651 333 HG23 THR 44 2HG2 THR 44 -14.479 -1.939 -8.745 334 H ASP 45 H ASP 45 -13.301 -5.467 -5.576 335 HA ASP 45 HA ASP 45 -15.253 -7.135 -4.266 336 HB2 ASP 45 1HB ASP 45 -12.255 -7.138 -4.827 337 HB3 ASP 45 2HB ASP 45 -12.931 -8.291 -3.716 338 H ARG 46 H ARG 46 -14.013 -8.066 -2.041 339 HA ARG 46 HA ARG 46 -13.589 -5.699 -0.313 340 HE ARG 46 HE ARG 46 -15.935 -9.674 2.909 341 HB2 ARG 46 1HB ARG 46 -15.604 -6.100 0.461 342 HB3 ARG 46 2HB ARG 46 -15.648 -7.782 -0.107 343 HG2 ARG 46 1HG ARG 46 -14.415 -8.548 1.802 344 HG3 ARG 46 2HG ARG 46 -14.180 -6.881 2.371 345 HD2 ARG 46 1HD ARG 46 -16.256 -6.741 3.239 346 HD3 ARG 46 2HD ARG 46 -17.022 -7.530 1.858 347 HH11 ARG 46 2HH2 ARG 46 -17.743 -7.059 4.561 348 HH12 ARG 46 1HH2 ARG 46 -18.260 -8.050 5.856 349 HH21 ARG 46 2HH1 ARG 46 -16.895 -11.067 4.583 350 HH22 ARG 46 1HH1 ARG 46 -17.804 -10.287 5.839 351 H LEU 47 H LEU 47 -12.954 -9.268 -0.604 352 HA LEU 47 HA LEU 47 -11.041 -9.343 1.468 353 HG LEU 47 HG LEU 47 -12.814 -11.649 0.690 354 HB2 LEU 47 1HB LEU 47 -11.338 -10.909 -1.113 355 HB3 LEU 47 2HB LEU 47 -9.934 -11.150 -0.078 356 HD11 LEU 47 1HD1 LEU 47 -10.472 -13.593 0.532 357 HD12 LEU 47 2HD1 LEU 47 -12.195 -13.932 0.667 358 HD13 LEU 47 3HD1 LEU 47 -11.555 -13.266 -0.838 359 HD21 LEU 47 3HD2 LEU 47 -11.910 -10.956 2.748 360 HD22 LEU 47 1HD2 LEU 47 -11.580 -12.684 2.780 361 HD23 LEU 47 2HD2 LEU 47 -10.284 -11.568 2.373 362 H ALA 48 H ALA 48 -10.678 -7.793 -1.654 363 HA ALA 48 HA ALA 48 -7.846 -7.689 -1.804 364 HB1 ALA 48 1HB ALA 48 -9.953 -5.638 -2.634 365 HB2 ALA 48 2HB ALA 48 -8.273 -5.728 -3.193 366 HB3 ALA 48 3HB ALA 48 -9.397 -7.018 -3.615 367 H GLY 49 H GLY 49 -10.198 -5.608 -0.013 368 HA2 GLY 49 1HA GLY 49 -8.218 -3.854 1.116 369 HA3 GLY 49 2HA GLY 49 -9.885 -4.049 1.653 370 H CYS 50 H CYS 50 -9.601 -7.006 2.056 371 HA CYS 50 HA CYS 50 -8.436 -7.030 4.695 372 HB2 CYS 50 1HB CYS 50 -9.142 -9.402 2.932 373 HB3 CYS 50 2HB CYS 50 -8.711 -9.445 4.609 374 H ALA 51 H ALA 51 -7.212 -8.150 1.478 375 HA ALA 51 HA ALA 51 -4.744 -9.124 2.419 376 HB1 ALA 51 1HB ALA 51 -4.331 -7.833 -0.138 377 HB2 ALA 51 2HB ALA 51 -4.455 -9.556 0.260 378 HB3 ALA 51 3HB ALA 51 -5.911 -8.650 -0.147 379 H ILE 52 H ILE 52 -5.603 -5.797 1.352 380 HA ILE 52 HA ILE 52 -3.108 -4.560 1.889 381 HB ILE 52 HB ILE 52 -5.952 -3.452 1.977 382 HG12 ILE 52 1HG1 ILE 52 -3.818 -3.161 -0.191 383 HG13 ILE 52 2HG1 ILE 52 -5.094 -4.365 -0.241 384 HG21 ILE 52 1HG2 ILE 52 -4.921 -1.198 1.780 385 HG22 ILE 52 2HG2 ILE 52 -4.486 -1.965 3.292 386 HG23 ILE 52 3HG2 ILE 52 -3.314 -1.935 1.964 387 HD11 ILE 52 3HD1 ILE 52 -6.808 -2.502 -0.164 388 HD12 ILE 52 1HD1 ILE 52 -5.468 -1.350 -0.390 389 HD13 ILE 52 2HD1 ILE 52 -5.808 -2.558 -1.620 390 H ASN 53 H ASN 53 -5.990 -4.732 4.169 391 HA ASN 53 HA ASN 53 -4.397 -3.574 6.218 392 HB2 ASN 53 1HB ASN 53 -6.105 -3.915 7.725 393 HB3 ASN 53 2HB ASN 53 -6.900 -3.622 6.190 394 HD21 ASN 53 2HD2 ASN 53 -8.714 -4.693 6.237 395 HD22 ASN 53 1HD2 ASN 53 -9.024 -6.306 6.851 396 H CYS 54 H CYS 54 -4.402 -6.873 5.094 397 HA CYS 54 HA CYS 54 -3.305 -7.937 7.574 398 HB2 CYS 54 1HB CYS 54 -4.588 -9.288 6.052 399 HB3 CYS 54 2HB CYS 54 -3.406 -9.076 4.762 400 H LEU 55 H LEU 55 -1.993 -6.944 4.369 401 HA LEU 55 HA LEU 55 0.787 -7.192 4.837 402 HG LEU 55 HG LEU 55 -0.962 -7.127 2.188 403 HB2 LEU 55 1HB LEU 55 -0.752 -4.968 3.437 404 HB3 LEU 55 2HB LEU 55 0.958 -5.127 3.384 405 HD11 LEU 55 1HD1 LEU 55 0.705 -4.880 0.988 406 HD12 LEU 55 2HD1 LEU 55 -0.184 -6.087 0.051 407 HD13 LEU 55 3HD1 LEU 55 -1.073 -4.974 1.095 408 HD21 LEU 55 3HD2 LEU 55 1.059 -7.974 1.020 409 HD22 LEU 55 1HD2 LEU 55 2.062 -6.912 2.037 410 HD23 LEU 55 2HD2 LEU 55 1.095 -8.229 2.766 411 H ALA 56 H ALA 56 -1.517 -4.749 5.879 412 HA ALA 56 HA ALA 56 0.354 -2.817 6.802 413 HB1 ALA 56 1HB ALA 56 -2.564 -3.005 7.588 414 HB2 ALA 56 2HB ALA 56 -1.519 -1.579 7.502 415 HB3 ALA 56 3HB ALA 56 -2.016 -2.381 6.009 416 H THR 57 H THR 57 -0.950 -5.700 8.304 417 HA THR 57 HA THR 57 -0.036 -4.826 10.982 418 HB THR 57 HB THR 57 -0.701 -7.065 11.712 419 HG1 THR 57 1HG THR 57 -1.139 -7.502 8.982 420 HG21 THR 57 3HG2 THR 57 -2.318 -5.213 11.793 421 HG22 THR 57 1HG2 THR 57 -2.919 -5.645 10.184 422 HG23 THR 57 2HG2 THR 57 -3.113 -6.779 11.532 423 H LYS 58 H LYS 58 1.428 -6.062 8.016 424 HA LYS 58 HA LYS 58 3.245 -7.758 9.567 425 HB2 LYS 58 1HB LYS 58 1.440 -8.165 7.315 426 HB3 LYS 58 2HB LYS 58 3.052 -8.451 6.779 427 HG2 LYS 58 1HG LYS 58 3.414 -10.133 8.496 428 HG3 LYS 58 2HG LYS 58 1.932 -9.660 9.339 429 HD2 LYS 58 1HD LYS 58 0.512 -10.501 7.623 430 HD3 LYS 58 2HD LYS 58 1.850 -10.715 6.495 431 HE2 LYS 58 1HE LYS 58 1.028 -12.847 7.425 432 HE3 LYS 58 2HE LYS 58 2.745 -12.569 7.757 433 HZ1 LYS 58 3HZ LYS 58 2.306 -12.270 9.987 434 HZ2 LYS 58 1HZ LYS 58 0.692 -11.908 9.746 435 HZ3 LYS 58 2HZ LYS 58 1.170 -13.429 9.553 436 H LEU 59 H LEU 59 3.577 -4.982 9.452 437 HA LEU 59 HA LEU 59 4.907 -4.065 7.203 438 HG LEU 59 HG LEU 59 2.878 -3.159 9.519 439 HB2 LEU 59 1HB LEU 59 5.317 -2.945 9.974 440 HB3 LEU 59 2HB LEU 59 5.526 -2.129 8.410 441 HD11 LEU 59 1HD1 LEU 59 3.734 -1.196 10.751 442 HD12 LEU 59 2HD1 LEU 59 3.827 -0.299 9.210 443 HD13 LEU 59 3HD1 LEU 59 2.260 -0.838 9.836 444 HD21 LEU 59 3HD2 LEU 59 1.939 -1.737 7.649 445 HD22 LEU 59 1HD2 LEU 59 3.561 -1.590 6.996 446 HD23 LEU 59 2HD2 LEU 59 2.791 -3.184 7.087 447 H ASP 60 H ASP 60 6.141 -6.095 9.641 448 HA ASP 60 HA ASP 60 9.022 -5.468 9.282 449 HB2 ASP 60 1HB ASP 60 8.788 -6.092 11.453 450 HB3 ASP 60 2HB ASP 60 7.303 -7.001 11.168 451 H VAL 61 H VAL 61 6.555 -7.873 8.494 452 HA VAL 61 HA VAL 61 8.317 -9.757 7.288 453 HB VAL 61 HB VAL 61 5.565 -9.514 7.997 454 HG11 VAL 61 1HG1 VAL 61 5.713 -10.233 5.116 455 HG12 VAL 61 2HG1 VAL 61 4.321 -10.465 6.212 456 HG13 VAL 61 3HG1 VAL 61 4.902 -8.835 5.871 457 HG21 VAL 61 3HG2 VAL 61 6.681 -11.781 6.334 458 HG22 VAL 61 1HG2 VAL 61 7.208 -11.582 8.046 459 HG23 VAL 61 2HG2 VAL 61 5.509 -11.907 7.661 460 H VAL 62 H VAL 62 6.191 -7.142 6.038 461 HA VAL 62 HA VAL 62 6.900 -7.614 3.320 462 HB VAL 62 HB VAL 62 4.786 -6.804 4.508 463 HG11 VAL 62 1HG1 VAL 62 5.967 -5.005 5.700 464 HG12 VAL 62 2HG1 VAL 62 5.964 -4.098 4.159 465 HG13 VAL 62 3HG1 VAL 62 4.423 -4.565 4.928 466 HG21 VAL 62 3HG2 VAL 62 4.083 -5.261 2.647 467 HG22 VAL 62 1HG2 VAL 62 5.756 -5.342 2.065 468 HG23 VAL 62 2HG2 VAL 62 4.721 -6.822 2.132 469 H ASP 63 H ASP 63 8.096 -5.449 5.781 470 HA ASP 63 HA ASP 63 10.429 -4.703 4.086 471 HB2 ASP 63 1HB ASP 63 9.177 -2.763 3.878 472 HB3 ASP 63 2HB ASP 63 8.673 -2.757 5.561 473 HA PRO 64 HA PRO 64 11.805 -6.278 8.167 474 HB2 PRO 64 1HB PRO 64 13.627 -8.133 7.303 475 HB3 PRO 64 2HB PRO 64 11.876 -8.454 7.343 476 HG2 PRO 64 1HG PRO 64 13.525 -7.495 4.976 477 HG3 PRO 64 2HG PRO 64 12.392 -8.884 5.060 478 HD2 PRO 64 1HD PRO 64 11.612 -6.477 4.093 479 HD3 PRO 64 2HD PRO 64 10.515 -7.462 5.098 480 H ASP 65 H ASP 65 12.936 -4.096 5.971 481 HA ASP 65 HA ASP 65 15.652 -3.864 7.167 482 HB2 ASP 65 1HB ASP 65 14.240 -2.303 5.001 483 HB3 ASP 65 2HB ASP 65 15.579 -1.614 5.916 484 H GLY 66 H GLY 66 12.278 -2.933 7.769 485 HA2 GLY 66 1HA GLY 66 11.697 -2.741 9.972 486 HA3 GLY 66 2HA GLY 66 13.348 -2.267 10.403 487 H ASN 67 H ASN 67 11.433 -0.791 7.740 488 HA ASN 67 HA ASN 67 11.799 1.761 9.172 489 HB2 ASN 67 1HB ASN 67 11.781 1.119 6.213 490 HB3 ASN 67 2HB ASN 67 11.792 2.751 6.890 491 HD21 ASN 67 2HD2 ASN 67 13.775 0.056 6.073 492 HD22 ASN 67 1HD2 ASN 67 15.220 0.586 6.930 493 H LEU 68 H LEU 68 9.564 -0.034 7.012 494 HA LEU 68 HA LEU 68 7.453 1.939 7.120 495 HG LEU 68 HG LEU 68 6.223 1.152 4.825 496 HB2 LEU 68 1HB LEU 68 7.943 -0.251 5.602 497 HB3 LEU 68 2HB LEU 68 6.967 -1.032 6.792 498 HD11 LEU 68 1HD1 LEU 68 5.149 -1.618 5.494 499 HD12 LEU 68 2HD1 LEU 68 4.516 -0.559 4.221 500 HD13 LEU 68 3HD1 LEU 68 6.177 -1.189 4.132 501 HD21 LEU 68 3HD2 LEU 68 3.910 1.163 5.803 502 HD22 LEU 68 1HD2 LEU 68 4.566 0.372 7.245 503 HD23 LEU 68 2HD2 LEU 68 5.109 1.996 6.776 504 H HIS 69 H HIS 69 6.125 2.428 8.862 505 HA HIS 69 HA HIS 69 5.424 0.301 10.771 506 HD1 HIS 69 HD1 HIS 69 7.241 -0.950 11.764 507 HD2 HIS 69 HD2 HIS 69 9.233 2.791 11.935 508 HE1 HIS 69 HE1 HIS 69 9.730 -1.456 11.674 509 HE2 HIS 69 HE2 HIS 69 10.955 0.770 11.818 510 HB2 HIS 69 1HB HIS 69 6.638 2.925 11.739 511 HB3 HIS 69 2HB HIS 69 5.893 1.702 12.753 512 H HIS 70 H HIS 70 3.546 1.218 12.285 513 HA HIS 70 HA HIS 70 1.634 2.365 10.474 514 HD1 HIS 70 HD1 HIS 70 1.628 -0.202 14.417 515 HD2 HIS 70 HD2 HIS 70 1.822 4.033 14.359 516 HE1 HIS 70 HE1 HIS 70 2.672 0.544 16.647 517 HE2 HIS 70 HE2 HIS 70 2.823 3.143 16.553 518 HB2 HIS 70 1HB HIS 70 0.110 2.432 12.430 519 HB3 HIS 70 2HB HIS 70 0.835 0.855 12.187 520 H GLY 71 H GLY 71 0.621 4.324 10.517 521 HA2 GLY 71 1HA GLY 71 0.578 6.594 10.406 522 HA3 GLY 71 2HA GLY 71 1.458 6.656 11.938 523 H ASN 72 H ASN 72 3.317 4.792 9.739 524 HA ASN 72 HA ASN 72 5.083 7.118 9.253 525 HB2 ASN 72 1HB ASN 72 5.366 5.777 11.459 526 HB3 ASN 72 2HB ASN 72 5.957 4.485 10.444 527 HD21 ASN 72 2HD2 ASN 72 7.386 6.254 12.384 528 HD22 ASN 72 1HD2 ASN 72 8.812 6.844 11.515 529 H ALA 73 H ALA 73 4.545 6.911 7.049 530 HA ALA 73 HA ALA 73 5.910 4.691 5.628 531 HB1 ALA 73 1HB ALA 73 3.735 5.550 4.748 532 HB2 ALA 73 2HB ALA 73 4.460 7.169 4.613 533 HB3 ALA 73 3HB ALA 73 5.083 5.823 3.638 534 H LYS 74 H LYS 74 7.023 7.178 7.540 535 HA LYS 74 HA LYS 74 8.183 8.859 5.499 536 HB2 LYS 74 1HB LYS 74 7.378 9.144 8.243 537 HB3 LYS 74 2HB LYS 74 9.104 9.498 8.180 538 HG2 LYS 74 1HG LYS 74 8.731 11.170 6.402 539 HG3 LYS 74 2HG LYS 74 7.044 10.664 6.259 540 HD2 LYS 74 1HD LYS 74 6.964 12.684 7.379 541 HD3 LYS 74 2HD LYS 74 6.637 11.458 8.608 542 HE2 LYS 74 1HE LYS 74 8.918 11.692 9.496 543 HE3 LYS 74 2HE LYS 74 9.380 12.731 8.139 544 HZ1 LYS 74 3HZ LYS 74 7.723 14.345 8.925 545 HZ2 LYS 74 1HZ LYS 74 7.443 13.419 10.258 546 HZ3 LYS 74 2HZ LYS 74 8.921 14.105 10.010 547 H ASP 75 H ASP 75 9.558 6.728 8.070 548 HA ASP 75 HA ASP 75 12.297 7.044 7.199 549 HB2 ASP 75 1HB ASP 75 10.819 5.002 8.872 550 HB3 ASP 75 2HB ASP 75 12.371 4.552 8.173 551 H PHE 76 H PHE 76 9.665 4.882 6.235 552 HA PHE 76 HA PHE 76 11.094 3.121 4.553 553 HD1 PHE 76 HD1 PHE 76 10.165 0.783 4.344 554 HD2 PHE 76 HD2 PHE 76 7.167 3.223 2.398 555 HE1 PHE 76 HE1 PHE 76 9.791 -0.974 2.671 556 HE2 PHE 76 HE2 PHE 76 6.786 1.432 0.763 557 HZ PHE 76 HZ PHE 76 8.098 -0.674 0.862 558 HB2 PHE 76 1HB PHE 76 8.824 2.772 5.502 559 HB3 PHE 76 2HB PHE 76 8.174 3.993 4.426 560 H ALA 77 H ALA 77 9.163 6.059 3.729 561 HA ALA 77 HA ALA 77 9.725 6.259 1.009 562 HB1 ALA 77 1HB ALA 77 9.433 8.804 1.553 563 HB2 ALA 77 2HB ALA 77 8.105 7.706 1.958 564 HB3 ALA 77 3HB ALA 77 9.216 8.295 3.213 565 H MET 78 H MET 78 11.639 7.521 3.780 566 HA MET 78 HA MET 78 13.606 8.733 2.130 567 HB2 MET 78 1HB MET 78 13.976 7.744 4.990 568 HB3 MET 78 2HB MET 78 14.944 8.959 4.161 569 HG2 MET 78 1HG MET 78 12.207 9.791 3.975 570 HG3 MET 78 2HG MET 78 12.474 9.238 5.621 571 HE1 MET 78 3HE MET 78 11.577 11.444 6.457 572 HE2 MET 78 1HE MET 78 12.108 13.009 5.789 573 HE3 MET 78 2HE MET 78 11.323 11.804 4.737 574 H LYS 79 H LYS 79 13.259 5.477 3.318 575 HA LYS 79 HA LYS 79 15.853 4.519 2.359 576 HB2 LYS 79 1HB LYS 79 13.492 3.498 3.925 577 HB3 LYS 79 2HB LYS 79 14.376 2.286 3.052 578 HG2 LYS 79 1HG LYS 79 15.872 4.301 4.756 579 HG3 LYS 79 2HG LYS 79 15.100 2.900 5.483 580 HD2 LYS 79 1HD LYS 79 16.331 1.384 3.916 581 HD3 LYS 79 2HD LYS 79 17.192 2.784 3.266 582 HE2 LYS 79 1HE LYS 79 17.280 1.756 6.143 583 HE3 LYS 79 2HE LYS 79 18.537 1.564 4.912 584 HZ1 LYS 79 3HZ LYS 79 18.518 4.099 4.852 585 HZ2 LYS 79 1HZ LYS 79 17.736 4.028 6.300 586 HZ3 LYS 79 2HZ LYS 79 19.211 3.348 6.151 587 H HIS 80 H HIS 80 13.278 5.467 0.591 588 HA HIS 80 HA HIS 80 13.853 3.406 -1.474 589 HD1 HIS 80 HD1 HIS 80 11.366 1.411 -2.880 590 HD2 HIS 80 HD2 HIS 80 11.758 2.359 1.244 591 HE1 HIS 80 HE1 HIS 80 11.389 -0.769 -1.629 592 HE2 HIS 80 HE2 HIS 80 11.625 -0.167 0.951 593 HB2 HIS 80 1HB HIS 80 11.156 4.470 -0.635 594 HB3 HIS 80 2HB HIS 80 11.451 4.006 -2.313 595 H GLY 81 H GLY 81 12.861 6.850 -0.994 596 HA2 GLY 81 1HA GLY 81 14.690 7.981 -2.657 597 HA3 GLY 81 2HA GLY 81 13.542 7.331 -3.813 598 H ALA 82 H ALA 82 12.862 8.876 -0.567 599 HA ALA 82 HA ALA 82 11.467 11.049 -1.954 600 HB1 ALA 82 1HB ALA 82 9.676 9.497 -1.885 601 HB2 ALA 82 2HB ALA 82 10.245 8.814 -0.356 602 HB3 ALA 82 3HB ALA 82 9.468 10.413 -0.370 603 H ASP 83 H ASP 83 11.592 12.843 -0.806 604 HA ASP 83 HA ASP 83 13.176 12.927 1.651 605 HB2 ASP 83 1HB ASP 83 11.703 15.312 0.523 606 HB3 ASP 83 2HB ASP 83 13.284 15.245 1.296 607 H GLU 84 H GLU 84 12.171 14.421 3.557 608 HA GLU 84 HA GLU 84 9.675 13.575 4.528 609 HB2 GLU 84 1HB GLU 84 11.743 15.344 5.253 610 HB3 GLU 84 2HB GLU 84 10.360 16.407 4.986 611 HG2 GLU 84 1HG GLU 84 9.021 14.887 6.534 612 HG3 GLU 84 2HG GLU 84 10.500 13.973 6.793 613 H THR 85 H THR 85 10.340 16.011 2.112 614 HA THR 85 HA THR 85 7.737 17.211 2.131 615 HB THR 85 HB THR 85 9.810 16.911 -0.053 616 HG1 THR 85 1HG THR 85 9.494 18.628 2.098 617 HG21 THR 85 3HG2 THR 85 7.439 18.839 0.188 618 HG22 THR 85 1HG2 THR 85 8.693 18.918 -1.071 619 HG23 THR 85 2HG2 THR 85 7.607 17.528 -1.008 620 H MET 86 H MET 86 9.217 14.873 -0.209 621 HA MET 86 HA MET 86 6.851 14.195 -1.549 622 HB2 MET 86 1HB MET 86 9.417 12.681 -1.022 623 HB3 MET 86 2HB MET 86 8.177 12.081 -2.110 624 HG2 MET 86 1HG MET 86 8.448 13.978 -3.577 625 HG3 MET 86 2HG MET 86 9.529 14.783 -2.436 626 HE1 MET 86 3HE MET 86 10.653 11.092 -5.009 627 HE2 MET 86 1HE MET 86 9.492 10.953 -3.675 628 HE3 MET 86 2HE MET 86 9.107 11.957 -5.099 629 H ALA 87 H ALA 87 8.420 12.542 1.256 630 HA ALA 87 HA ALA 87 6.551 10.460 1.578 631 HB1 ALA 87 1HB ALA 87 7.347 10.344 3.872 632 HB2 ALA 87 2HB ALA 87 8.737 10.704 2.826 633 HB3 ALA 87 3HB ALA 87 8.000 11.992 3.790 634 H GLN 88 H GLN 88 6.524 13.825 3.060 635 HA GLN 88 HA GLN 88 4.040 13.292 4.338 636 HB2 GLN 88 1HB GLN 88 5.708 14.729 5.235 637 HB3 GLN 88 2HB GLN 88 5.704 15.768 3.819 638 HG2 GLN 88 1HG GLN 88 4.533 16.822 5.646 639 HG3 GLN 88 2HG GLN 88 3.371 16.449 4.372 640 HE21 GLN 88 2HE2 GLN 88 1.846 14.713 4.733 641 HE22 GLN 88 1HE2 GLN 88 1.452 14.173 6.362 642 H GLN 89 H GLN 89 4.827 14.386 1.055 643 HA GLN 89 HA GLN 89 2.305 15.579 0.281 644 HB2 GLN 89 1HB GLN 89 4.184 13.920 -1.437 645 HB3 GLN 89 2HB GLN 89 2.772 14.786 -1.946 646 HG2 GLN 89 1HG GLN 89 3.796 16.910 -1.034 647 HG3 GLN 89 2HG GLN 89 5.291 15.984 -0.861 648 HE21 GLN 89 2HE2 GLN 89 3.049 17.360 -3.145 649 HE22 GLN 89 1HE2 GLN 89 4.131 17.256 -4.516 650 H LEU 90 H LEU 90 3.610 12.168 0.206 651 HA LEU 90 HA LEU 90 1.239 11.108 -0.883 652 HG LEU 90 HG LEU 90 4.537 10.842 -1.379 653 HB2 LEU 90 1HB LEU 90 3.585 9.790 0.551 654 HB3 LEU 90 2HB LEU 90 2.372 8.986 -0.430 655 HD11 LEU 90 1HD1 LEU 90 5.204 8.960 -2.702 656 HD12 LEU 90 2HD1 LEU 90 5.029 8.466 -1.010 657 HD13 LEU 90 3HD1 LEU 90 3.763 8.034 -2.182 658 HD21 LEU 90 3HD2 LEU 90 3.637 10.635 -3.658 659 HD22 LEU 90 1HD2 LEU 90 2.139 9.924 -2.992 660 HD23 LEU 90 2HD2 LEU 90 2.624 11.604 -2.607 661 H VAL 91 H VAL 91 2.335 11.218 2.706 662 HA VAL 91 HA VAL 91 0.028 9.842 3.393 663 HB VAL 91 HB VAL 91 0.633 11.709 5.403 664 HG11 VAL 91 1HG1 VAL 91 1.268 9.893 6.790 665 HG12 VAL 91 2HG1 VAL 91 0.078 9.155 5.669 666 HG13 VAL 91 3HG1 VAL 91 1.807 8.929 5.405 667 HG21 VAL 91 3HG2 VAL 91 2.802 11.527 5.958 668 HG22 VAL 91 1HG2 VAL 91 3.147 10.568 4.470 669 HG23 VAL 91 2HG2 VAL 91 2.474 12.238 4.351 670 H ASP 92 H ASP 92 0.472 13.289 2.349 671 HA ASP 92 HA ASP 92 -2.029 14.105 3.573 672 HB2 ASP 92 1HB ASP 92 -0.307 15.746 2.805 673 HB3 ASP 92 2HB ASP 92 -0.729 15.355 1.131 674 H ILE 93 H ILE 93 -1.155 12.395 0.599 675 HA ILE 93 HA ILE 93 -3.762 12.532 -0.561 676 HB ILE 93 HB ILE 93 -1.731 10.332 -0.942 677 HG12 ILE 93 1HG1 ILE 93 -0.555 12.346 -1.473 678 HG13 ILE 93 2HG1 ILE 93 -0.940 11.488 -2.934 679 HG21 ILE 93 1HG2 ILE 93 -2.744 9.742 -2.936 680 HG22 ILE 93 2HG2 ILE 93 -4.122 10.052 -1.860 681 HG23 ILE 93 3HG2 ILE 93 -3.647 11.238 -3.079 682 HD11 ILE 93 3HD1 ILE 93 -3.082 13.310 -2.675 683 HD12 ILE 93 1HD1 ILE 93 -1.662 14.207 -2.127 684 HD13 ILE 93 2HD1 ILE 93 -1.685 13.447 -3.737 685 H ILE 94 H ILE 94 -2.260 10.069 1.759 686 HA ILE 94 HA ILE 94 -4.688 8.501 1.483 687 HB ILE 94 HB ILE 94 -2.370 7.460 1.797 688 HG12 ILE 94 1HG1 ILE 94 -3.369 5.790 3.568 689 HG13 ILE 94 2HG1 ILE 94 -4.852 6.729 3.345 690 HG21 ILE 94 1HG2 ILE 94 -1.398 7.210 3.901 691 HG22 ILE 94 2HG2 ILE 94 -1.719 8.934 3.739 692 HG23 ILE 94 3HG2 ILE 94 -2.786 7.923 4.738 693 HD11 ILE 94 3HD1 ILE 94 -4.729 4.695 1.988 694 HD12 ILE 94 1HD1 ILE 94 -4.796 6.127 0.935 695 HD13 ILE 94 2HD1 ILE 94 -3.247 5.258 1.202 696 H HIS 95 H HIS 95 -3.157 10.780 3.812 697 HA HIS 95 HA HIS 95 -5.167 10.486 5.820 698 HD1 HIS 95 HD1 HIS 95 -2.976 12.765 8.587 699 HD2 HIS 95 HD2 HIS 95 -2.310 9.714 5.775 700 HE1 HIS 95 HE1 HIS 95 -1.316 11.123 9.676 701 HE2 HIS 95 HE2 HIS 95 -0.959 9.219 7.959 702 HB2 HIS 95 1HB HIS 95 -3.343 12.847 5.237 703 HB3 HIS 95 2HB HIS 95 -4.512 12.809 6.537 704 H GLY 96 H GLY 96 -5.033 12.338 2.788 705 HA2 GLY 96 1HA GLY 96 -7.340 13.938 3.558 706 HA3 GLY 96 2HA GLY 96 -6.693 13.738 1.893 707 H CYS 97 H CYS 97 -6.826 11.010 1.549 708 HA CYS 97 HA CYS 97 -9.551 10.507 0.952 709 HB2 CYS 97 1HB CYS 97 -7.048 8.799 1.136 710 HB3 CYS 97 2HB CYS 97 -8.605 8.152 0.622 711 H GLU 98 H GLU 98 -7.538 9.414 3.705 712 HA GLU 98 HA GLU 98 -9.384 7.665 4.829 713 HB2 GLU 98 1HB GLU 98 -7.870 7.274 6.423 714 HB3 GLU 98 2HB GLU 98 -6.714 8.097 5.352 715 HG2 GLU 98 1HG GLU 98 -7.190 10.140 6.493 716 HG3 GLU 98 2HG GLU 98 -8.204 9.278 7.639 717 H LYS 99 H LYS 99 -8.863 11.103 5.231 718 HA LYS 99 HA LYS 99 -11.059 11.589 7.071 719 HB2 LYS 99 1HB LYS 99 -9.068 13.300 5.632 720 HB3 LYS 99 2HB LYS 99 -10.593 14.056 5.959 721 HG2 LYS 99 1HG LYS 99 -9.091 14.551 7.782 722 HG3 LYS 99 2HG LYS 99 -10.462 13.591 8.325 723 HD2 LYS 99 1HD LYS 99 -8.906 12.374 9.412 724 HD3 LYS 99 2HD LYS 99 -8.702 11.586 7.854 725 HE2 LYS 99 1HE LYS 99 -6.542 11.962 8.411 726 HE3 LYS 99 2HE LYS 99 -6.879 13.357 7.383 727 HZ1 LYS 99 3HZ LYS 99 -7.118 14.690 9.418 728 HZ2 LYS 99 1HZ LYS 99 -6.851 13.354 10.370 729 HZ3 LYS 99 2HZ LYS 99 -5.693 13.923 9.391 730 H SER 100 H SER 100 -11.156 11.035 3.652 731 HA SER 100 HA SER 100 -13.842 12.324 3.523 732 HG SER 100 HG SER 100 -14.041 13.867 1.747 733 HB2 SER 100 1HB SER 100 -11.468 12.623 1.829 734 HB3 SER 100 2HB SER 100 -12.874 12.113 0.916 735 H ALA 101 H ALA 101 -12.683 9.391 4.011 736 HA ALA 101 HA ALA 101 -13.646 7.755 2.027 737 HB1 ALA 101 1HB ALA 101 -13.660 7.290 5.050 738 HB2 ALA 101 2HB ALA 101 -13.629 6.039 3.781 739 HB3 ALA 101 3HB ALA 101 -12.241 7.123 4.009 740 HA PRO 102 HA PRO 102 -18.010 8.363 2.286 741 HB2 PRO 102 1HB PRO 102 -19.007 5.952 1.343 742 HB3 PRO 102 2HB PRO 102 -18.230 7.198 0.332 743 HG2 PRO 102 1HG PRO 102 -17.026 4.676 1.468 744 HG3 PRO 102 2HG PRO 102 -16.797 5.376 -0.162 745 HD2 PRO 102 1HD PRO 102 -14.983 5.681 1.879 746 HD3 PRO 102 2HD PRO 102 -15.191 6.934 0.646 747 HA PRO 103 HA PRO 103 -19.462 6.697 6.113 748 HB2 PRO 103 1HB PRO 103 -22.217 6.561 5.722 749 HB3 PRO 103 2HB PRO 103 -21.258 7.998 6.199 750 HG2 PRO 103 1HG PRO 103 -22.411 7.346 3.536 751 HG3 PRO 103 2HG PRO 103 -22.107 8.933 4.266 752 HD2 PRO 103 1HD PRO 103 -20.473 7.747 2.344 753 HD3 PRO 103 2HD PRO 103 -19.928 8.995 3.506 754 H ASN 104 H ASN 104 -18.492 4.776 6.005 755 HA ASN 104 HA ASN 104 -20.078 2.535 6.565 756 HB2 ASN 104 1HB ASN 104 -20.145 2.069 4.151 757 HB3 ASN 104 2HB ASN 104 -18.425 2.443 3.992 758 HD21 ASN 104 2HD2 ASN 104 -17.203 0.560 3.792 759 HD22 ASN 104 1HD2 ASN 104 -17.585 -0.934 4.695 760 H ASP 105 H ASP 105 -18.745 1.663 8.269 761 HA ASP 105 HA ASP 105 -15.847 2.366 8.193 762 HB2 ASP 105 1HB ASP 105 -15.784 2.789 10.338 763 HB3 ASP 105 2HB ASP 105 -17.526 3.030 10.219 764 H ASP 106 H ASP 106 -14.343 0.680 8.345 765 HA ASP 106 HA ASP 106 -14.903 -2.086 8.624 766 HB2 ASP 106 1HB ASP 106 -15.560 -0.759 5.993 767 HB3 ASP 106 2HB ASP 106 -14.479 -2.114 5.881 768 H LYS 107 H LYS 107 -13.110 -3.285 7.885 769 HA LYS 107 HA LYS 107 -10.612 -1.719 7.404 770 HB2 LYS 107 1HB LYS 107 -9.442 -3.610 8.319 771 HB3 LYS 107 2HB LYS 107 -10.743 -2.925 9.287 772 HG2 LYS 107 1HG LYS 107 -12.216 -4.678 9.012 773 HG3 LYS 107 2HG LYS 107 -11.233 -5.376 7.736 774 HD2 LYS 107 1HD LYS 107 -9.769 -6.361 9.263 775 HD3 LYS 107 2HD LYS 107 -9.848 -4.952 10.352 776 HE2 LYS 107 1HE LYS 107 -12.105 -5.601 11.088 777 HE3 LYS 107 2HE LYS 107 -12.065 -7.024 10.041 778 HZ1 LYS 107 3HZ LYS 107 -10.257 -7.881 11.355 779 HZ2 LYS 107 1HZ LYS 107 -10.218 -6.530 12.318 780 HZ3 LYS 107 2HZ LYS 107 -11.536 -7.518 12.313 781 H CYS 108 H CYS 108 -12.722 -3.820 6.044 782 HA CYS 108 HA CYS 108 -10.743 -4.401 3.924 783 HB2 CYS 108 1HB CYS 108 -13.159 -6.145 4.375 784 HB3 CYS 108 2HB CYS 108 -11.847 -6.358 3.222 785 H MET 109 H MET 109 -13.228 -2.338 4.427 786 HA MET 109 HA MET 109 -13.991 -2.312 1.568 787 HB2 MET 109 1HB MET 109 -15.817 -1.830 3.917 788 HB3 MET 109 2HB MET 109 -16.236 -1.377 2.273 789 HG2 MET 109 1HG MET 109 -15.348 -4.214 2.690 790 HG3 MET 109 2HG MET 109 -16.868 -3.720 3.416 791 HE1 MET 109 3HE MET 109 -16.249 -3.116 -1.144 792 HE2 MET 109 1HE MET 109 -15.694 -1.988 0.096 793 HE3 MET 109 2HE MET 109 -14.912 -3.580 -0.068 794 H LYS 110 H LYS 110 -14.363 -0.160 4.497 795 HA LYS 110 HA LYS 110 -13.960 2.262 3.209 796 HB2 LYS 110 1HB LYS 110 -14.623 2.223 5.512 797 HB3 LYS 110 2HB LYS 110 -13.219 1.290 5.961 798 HG2 LYS 110 1HG LYS 110 -11.700 3.129 5.575 799 HG3 LYS 110 2HG LYS 110 -12.997 4.142 4.949 800 HD2 LYS 110 1HD LYS 110 -13.447 2.990 7.687 801 HD3 LYS 110 2HD LYS 110 -12.064 4.056 7.537 802 HE2 LYS 110 1HE LYS 110 -14.230 5.102 8.299 803 HE3 LYS 110 2HE LYS 110 -13.300 5.943 7.044 804 HZ1 LYS 110 3HZ LYS 110 -15.749 4.337 6.618 805 HZ2 LYS 110 1HZ LYS 110 -15.580 5.967 6.458 806 HZ3 LYS 110 2HZ LYS 110 -14.874 4.920 5.407 807 H THR 111 H THR 111 -11.354 0.081 4.478 808 HA THR 111 HA THR 111 -9.158 1.449 3.637 809 HB THR 111 HB THR 111 -9.738 -1.525 3.479 810 HG1 THR 111 1HG THR 111 -8.782 -0.061 5.725 811 HG21 THR 111 3HG2 THR 111 -7.310 -1.768 4.118 812 HG22 THR 111 1HG2 THR 111 -7.604 -1.179 2.468 813 HG23 THR 111 2HG2 THR 111 -7.124 -0.037 3.727 814 H ILE 112 H ILE 112 -11.277 -0.586 1.494 815 HA ILE 112 HA ILE 112 -9.539 -0.297 -0.769 816 HB ILE 112 HB ILE 112 -12.515 -0.972 -0.572 817 HG12 ILE 112 1HG1 ILE 112 -9.986 -2.642 -0.944 818 HG13 ILE 112 2HG1 ILE 112 -11.034 -2.594 0.468 819 HG21 ILE 112 1HG2 ILE 112 -10.709 -1.039 -2.998 820 HG22 ILE 112 2HG2 ILE 112 -12.362 -1.716 -2.934 821 HG23 ILE 112 3HG2 ILE 112 -12.119 0.008 -2.787 822 HD11 ILE 112 3HD1 ILE 112 -12.900 -3.464 -0.949 823 HD12 ILE 112 1HD1 ILE 112 -11.710 -3.764 -2.242 824 HD13 ILE 112 2HD1 ILE 112 -11.568 -4.592 -0.690 825 H ASP 113 H ASP 113 -12.248 1.653 0.552 826 HA ASP 113 HA ASP 113 -12.373 3.435 -1.703 827 HB2 ASP 113 1HB ASP 113 -13.255 3.763 1.183 828 HB3 ASP 113 2HB ASP 113 -13.360 5.066 0.002 829 H VAL 114 H VAL 114 -10.671 3.744 1.476 830 HA VAL 114 HA VAL 114 -9.403 6.186 0.808 831 HB VAL 114 HB VAL 114 -8.629 4.049 2.835 832 HG11 VAL 114 1HG1 VAL 114 -6.727 5.548 2.695 833 HG12 VAL 114 2HG1 VAL 114 -7.755 6.986 2.668 834 HG13 VAL 114 3HG1 VAL 114 -7.617 6.038 4.138 835 HG21 VAL 114 3HG2 VAL 114 -10.929 4.972 3.165 836 HG22 VAL 114 1HG2 VAL 114 -9.830 5.492 4.438 837 HG23 VAL 114 2HG2 VAL 114 -10.252 6.605 3.118 838 H ALA 115 H ALA 115 -8.359 2.803 0.268 839 HA ALA 115 HA ALA 115 -5.806 3.332 -0.816 840 HB1 ALA 115 1HB ALA 115 -7.750 1.049 -1.361 841 HB2 ALA 115 2HB ALA 115 -6.046 1.066 -1.826 842 HB3 ALA 115 3HB ALA 115 -6.497 1.089 -0.111 843 H MET 116 H MET 116 -8.921 2.741 -2.621 844 HA MET 116 HA MET 116 -7.650 3.287 -5.172 845 HB2 MET 116 1HB MET 116 -9.766 3.120 -6.151 846 HB3 MET 116 2HB MET 116 -9.722 1.910 -4.878 847 HG2 MET 116 1HG MET 116 -11.634 2.745 -4.063 848 HG3 MET 116 2HG MET 116 -10.831 4.195 -3.637 849 HE1 MET 116 3HE MET 116 -13.393 3.403 -7.372 850 HE2 MET 116 1HE MET 116 -11.744 2.752 -7.271 851 HE3 MET 116 2HE MET 116 -12.969 2.259 -6.078 852 H CYS 117 H CYS 117 -9.303 5.277 -2.742 853 HA CYS 117 HA CYS 117 -9.585 7.580 -4.281 854 HB2 CYS 117 1HB CYS 117 -10.694 7.412 -2.160 855 HB3 CYS 117 2HB CYS 117 -9.176 7.190 -1.308 856 H PHE 118 H PHE 118 -6.792 6.225 -2.429 857 HA PHE 118 HA PHE 118 -5.031 8.318 -2.546 858 HD1 PHE 118 HD2 PHE 118 -3.287 7.515 -0.261 859 HD2 PHE 118 HD1 PHE 118 -1.998 6.108 -4.123 860 HE1 PHE 118 HE2 PHE 118 -0.937 8.138 0.283 861 HE2 PHE 118 HE1 PHE 118 0.356 6.777 -3.533 862 HZ PHE 118 HZ PHE 118 0.828 7.967 -1.457 863 HB2 PHE 118 1HB PHE 118 -4.670 5.986 -1.554 864 HB3 PHE 118 2HB PHE 118 -4.181 5.468 -3.162 865 H LYS 119 H LYS 119 -5.417 5.822 -5.124 866 HA LYS 119 HA LYS 119 -3.665 7.156 -6.954 867 HB2 LYS 119 1HB LYS 119 -4.594 4.701 -6.989 868 HB3 LYS 119 2HB LYS 119 -6.007 5.392 -7.789 869 HG2 LYS 119 1HG LYS 119 -4.354 6.376 -9.491 870 HG3 LYS 119 2HG LYS 119 -3.106 5.355 -8.770 871 HD2 LYS 119 1HD LYS 119 -5.736 4.377 -9.928 872 HD3 LYS 119 2HD LYS 119 -4.267 4.456 -10.873 873 HE2 LYS 119 1HE LYS 119 -4.328 2.804 -8.326 874 HE3 LYS 119 2HE LYS 119 -5.092 2.181 -9.776 875 HZ1 LYS 119 3HZ LYS 119 -2.255 2.782 -9.424 876 HZ2 LYS 119 1HZ LYS 119 -2.965 1.354 -9.757 877 HZ3 LYS 119 2HZ LYS 119 -2.901 2.500 -10.928 878 H LYS 120 H LYS 120 -7.195 7.530 -6.363 879 HA LYS 120 HA LYS 120 -7.574 9.402 -8.537 880 HB2 LYS 120 1HB LYS 120 -9.153 8.970 -5.942 881 HB3 LYS 120 2HB LYS 120 -9.700 9.980 -7.246 882 HG2 LYS 120 1HG LYS 120 -9.178 6.989 -7.567 883 HG3 LYS 120 2HG LYS 120 -10.738 7.660 -7.101 884 HD2 LYS 120 1HD LYS 120 -9.279 8.387 -9.662 885 HD3 LYS 120 2HD LYS 120 -10.494 7.118 -9.536 886 HE2 LYS 120 1HE LYS 120 -12.224 8.667 -8.941 887 HE3 LYS 120 2HE LYS 120 -11.077 10.005 -8.741 888 HZ1 LYS 120 3HZ LYS 120 -10.679 10.049 -11.043 889 HZ2 LYS 120 1HZ LYS 120 -11.483 8.624 -11.312 890 HZ3 LYS 120 2HZ LYS 120 -12.299 9.983 -10.900 891 H GLU 121 H GLU 121 -6.232 9.960 -5.275 892 HA GLU 121 HA GLU 121 -6.280 12.880 -5.829 893 HB2 GLU 121 1HB GLU 121 -5.935 11.109 -3.401 894 HB3 GLU 121 2HB GLU 121 -5.384 12.772 -3.389 895 HG2 GLU 121 1HG GLU 121 -8.229 11.852 -3.995 896 HG3 GLU 121 2HG GLU 121 -7.658 12.439 -2.457 897 H ILE 122 H ILE 122 -4.257 10.230 -6.505 898 HA ILE 122 HA ILE 122 -1.826 11.556 -5.923 899 HB ILE 122 HB ILE 122 -2.772 9.207 -7.508 900 HG12 ILE 122 1HG1 ILE 122 -0.663 9.695 -5.450 901 HG13 ILE 122 2HG1 ILE 122 -2.143 8.850 -5.257 902 HG21 ILE 122 1HG2 ILE 122 -0.001 10.233 -8.131 903 HG22 ILE 122 2HG2 ILE 122 -0.728 8.693 -8.673 904 HG23 ILE 122 3HG2 ILE 122 -1.396 10.192 -9.255 905 HD11 ILE 122 3HD1 ILE 122 -0.382 7.181 -5.405 906 HD12 ILE 122 1HD1 ILE 122 -1.270 7.087 -6.921 907 HD13 ILE 122 2HD1 ILE 122 0.315 7.916 -6.818 908 H HIS 123 H HIS 123 -3.951 11.760 -8.851 909 HA HIS 123 HA HIS 123 -2.019 12.609 -10.575 910 HD1 HIS 123 HD1 HIS 123 -5.397 15.619 -11.448 911 HD2 HIS 123 HD2 HIS 123 -6.026 12.102 -9.214 912 HE1 HIS 123 HE1 HIS 123 -7.525 16.012 -10.057 913 HE2 HIS 123 HE2 HIS 123 -7.914 13.872 -8.664 914 HB2 HIS 123 1HB HIS 123 -3.797 13.415 -11.959 915 HB3 HIS 123 2HB HIS 123 -4.304 11.982 -11.072 916 H LYS 124 H LYS 124 -3.515 14.554 -8.147 917 HA LYS 124 HA LYS 124 -2.926 17.226 -9.048 918 HB2 LYS 124 1HB LYS 124 -3.350 17.757 -6.707 919 HB3 LYS 124 2HB LYS 124 -4.652 17.037 -7.651 920 HG2 LYS 124 1HG LYS 124 -4.463 14.950 -6.693 921 HG3 LYS 124 2HG LYS 124 -2.829 15.246 -6.026 922 HD2 LYS 124 1HD LYS 124 -5.115 16.982 -5.275 923 HD3 LYS 124 2HD LYS 124 -4.885 15.377 -4.470 924 HE2 LYS 124 1HE LYS 124 -3.163 16.055 -3.226 925 HE3 LYS 124 2HE LYS 124 -2.400 16.943 -4.554 926 HZ1 LYS 124 3HZ LYS 124 -3.677 18.838 -4.064 927 HZ2 LYS 124 1HZ LYS 124 -4.679 18.014 -3.030 928 HZ3 LYS 124 2HZ LYS 124 -3.129 18.327 -2.600 929 H LEU 125 H LEU 125 -0.950 14.688 -7.524 930 HA LEU 125 HA LEU 125 1.110 16.404 -6.419 931 HG LEU 125 HG LEU 125 -0.318 13.617 -5.568 932 HB2 LEU 125 1HB LEU 125 1.298 13.548 -7.506 933 HB3 LEU 125 2HB LEU 125 2.477 14.356 -6.497 934 HD11 LEU 125 1HD1 LEU 125 2.407 12.342 -5.084 935 HD12 LEU 125 2HD1 LEU 125 0.875 11.848 -4.319 936 HD13 LEU 125 3HD1 LEU 125 1.094 11.660 -6.068 937 HD21 LEU 125 3HD2 LEU 125 0.491 15.526 -4.317 938 HD22 LEU 125 1HD2 LEU 125 0.708 14.093 -3.301 939 HD23 LEU 125 2HD2 LEU 125 2.102 14.798 -4.147 940 H ASN 126 H ASN 126 0.324 14.994 -9.543 941 HA ASN 126 HA ASN 126 1.021 15.268 -11.636 942 HB2 ASN 126 1HB ASN 126 2.961 17.420 -10.797 943 HB3 ASN 126 2HB ASN 126 2.270 17.145 -12.384 944 HD21 ASN 126 2HD2 ASN 126 -0.522 16.678 -11.083 945 HD22 ASN 126 1HD2 ASN 126 -0.862 18.197 -10.294 946 H TRP 127 H TRP 127 2.898 14.207 -9.212 947 HA TRP 127 HA TRP 127 4.754 12.894 -11.130 948 HD1 TRP 127 HD1 TRP 127 4.711 15.449 -7.591 949 HE1 TRP 127 HE1 TRP 127 4.887 15.055 -5.075 950 HE3 TRP 127 HE3 TRP 127 6.782 10.742 -7.574 951 HZ2 TRP 127 HZ2 TRP 127 5.470 12.938 -3.305 952 HZ3 TRP 127 HZ3 TRP 127 7.281 9.648 -5.418 953 HH2 TRP 127 HH2 TRP 127 6.594 10.700 -3.270 954 HB2 TRP 127 1HB TRP 127 6.358 12.507 -9.426 955 HB3 TRP 127 2HB TRP 127 6.052 14.215 -9.622 956 H VAL 128 H VAL 128 5.381 10.744 -10.489 957 HA VAL 128 HA VAL 128 3.100 9.086 -9.518 958 HB VAL 128 HB VAL 128 5.113 8.332 -11.670 959 HG11 VAL 128 1HG1 VAL 128 2.514 7.037 -10.724 960 HG12 VAL 128 2HG1 VAL 128 3.497 6.489 -12.097 961 HG13 VAL 128 3HG1 VAL 128 4.161 6.417 -10.468 962 HG21 VAL 128 3HG2 VAL 128 3.334 8.585 -13.331 963 HG22 VAL 128 1HG2 VAL 128 2.238 9.228 -12.094 964 HG23 VAL 128 2HG2 VAL 128 3.682 10.137 -12.575 965 HA PRO 129 HA PRO 129 6.541 8.118 -6.751 966 HB2 PRO 129 1HB PRO 129 4.584 6.287 -5.435 967 HB3 PRO 129 2HB PRO 129 5.528 7.625 -4.723 968 HG2 PRO 129 1HG PRO 129 2.828 7.845 -5.185 969 HG3 PRO 129 2HG PRO 129 3.943 9.229 -5.382 970 HD2 PRO 129 1HD PRO 129 2.803 7.414 -7.494 971 HD3 PRO 129 2HD PRO 129 2.988 9.203 -7.467 972 H ASN 130 H ASN 130 7.715 6.191 -6.085 973 HA ASN 130 HA ASN 130 8.006 3.877 -7.702 974 HB2 ASN 130 1HB ASN 130 8.258 4.206 -4.659 975 HB3 ASN 130 2HB ASN 130 8.671 2.734 -5.500 976 HD21 ASN 130 2HD2 ASN 130 9.863 5.801 -4.531 977 HD22 ASN 130 1HD2 ASN 130 11.435 5.638 -5.309 978 H MET 131 H MET 131 7.106 1.680 -7.396 979 HA MET 131 HA MET 131 4.350 1.483 -6.618 980 HB2 MET 131 1HB MET 131 6.509 -0.671 -6.730 981 HB3 MET 131 2HB MET 131 4.783 -0.968 -6.502 982 HG2 MET 131 1HG MET 131 4.314 0.025 -8.715 983 HG3 MET 131 2HG MET 131 6.041 0.340 -8.944 984 HE1 MET 131 3HE MET 131 3.810 -2.757 -7.700 985 HE2 MET 131 1HE MET 131 3.118 -2.110 -9.209 986 HE3 MET 131 2HE MET 131 3.869 -3.719 -9.197 987 H ASP 132 H ASP 132 7.439 1.168 -4.878 988 HA ASP 132 HA ASP 132 6.456 -0.092 -2.523 989 HB2 ASP 132 1HB ASP 132 8.690 1.967 -2.493 990 HB3 ASP 132 2HB ASP 132 8.463 0.584 -1.428 991 H LEU 133 H LEU 133 7.040 3.336 -3.255 992 HA LEU 133 HA LEU 133 6.205 4.492 -0.924 993 HG LEU 133 HG LEU 133 8.333 5.321 -2.414 994 HB2 LEU 133 1HB LEU 133 6.135 5.453 -3.776 995 HB3 LEU 133 2HB LEU 133 5.527 6.472 -2.484 996 HD11 LEU 133 1HD1 LEU 133 9.170 7.448 -3.298 997 HD12 LEU 133 2HD1 LEU 133 8.077 6.701 -4.476 998 HD13 LEU 133 3HD1 LEU 133 7.522 8.053 -3.485 999 HD21 LEU 133 3HD2 LEU 133 7.245 7.870 -1.116 1000 HD22 LEU 133 1HD2 LEU 133 7.348 6.328 -0.277 1001 HD23 LEU 133 2HD2 LEU 133 8.818 7.094 -0.864 1002 H VAL 134 H VAL 134 4.122 3.702 -3.733 1003 HA VAL 134 HA VAL 134 1.698 4.746 -2.654 1004 HB VAL 134 HB VAL 134 2.181 2.497 -4.665 1005 HG11 VAL 134 1HG1 VAL 134 -0.044 2.938 -5.531 1006 HG12 VAL 134 2HG1 VAL 134 -0.156 2.465 -3.842 1007 HG13 VAL 134 3HG1 VAL 134 -0.329 4.173 -4.267 1008 HG21 VAL 134 3HG2 VAL 134 1.707 5.475 -5.119 1009 HG22 VAL 134 1HG2 VAL 134 3.192 4.568 -5.459 1010 HG23 VAL 134 2HG2 VAL 134 1.746 4.231 -6.393 1011 H ILE 135 H ILE 135 3.275 1.565 -2.265 1012 HA ILE 135 HA ILE 135 0.919 0.389 -0.989 1013 HB ILE 135 HB ILE 135 3.787 -0.615 -1.232 1014 HG12 ILE 135 1HG1 ILE 135 1.480 -1.757 -2.815 1015 HG13 ILE 135 2HG1 ILE 135 2.291 -0.330 -3.429 1016 HG21 ILE 135 1HG2 ILE 135 2.624 -2.879 -0.803 1017 HG22 ILE 135 2HG2 ILE 135 2.742 -1.774 0.568 1018 HG23 ILE 135 3HG2 ILE 135 1.201 -1.945 -0.304 1019 HD11 ILE 135 3HD1 ILE 135 3.260 -2.297 -4.436 1020 HD12 ILE 135 1HD1 ILE 135 4.466 -1.554 -3.369 1021 HD13 ILE 135 2HD1 ILE 135 3.605 -3.012 -2.846 1022 H GLY 136 H GLY 136 4.189 1.385 0.080 1023 HA2 GLY 136 1HA GLY 136 3.985 0.980 2.778 1024 HA3 GLY 136 2HA GLY 136 4.900 2.311 2.058 1025 H GLU 137 H GLU 137 2.439 3.695 1.008 1026 HA GLU 137 HA GLU 137 1.802 5.208 3.368 1027 HB2 GLU 137 1HB GLU 137 0.743 5.102 0.516 1028 HB3 GLU 137 2HB GLU 137 -0.081 6.080 1.738 1029 HG2 GLU 137 1HG GLU 137 2.849 6.337 0.950 1030 HG3 GLU 137 2HG GLU 137 1.512 7.383 0.492 1031 H VAL 138 H VAL 138 -0.437 3.188 1.343 1032 HA VAL 138 HA VAL 138 -2.499 3.329 3.164 1033 HB VAL 138 HB VAL 138 -2.400 2.553 0.768 1034 HG11 VAL 138 1HG1 VAL 138 -2.539 0.184 0.260 1035 HG12 VAL 138 2HG1 VAL 138 -0.918 0.742 0.674 1036 HG13 VAL 138 3HG1 VAL 138 -1.878 -0.181 1.858 1037 HG21 VAL 138 3HG2 VAL 138 -4.483 1.324 0.953 1038 HG22 VAL 138 1HG2 VAL 138 -4.106 0.902 2.646 1039 HG23 VAL 138 2HG2 VAL 138 -4.432 2.579 2.203 1040 H LEU 139 H LEU 139 -0.027 0.821 2.998 1041 HA LEU 139 HA LEU 139 -0.624 -0.734 5.224 1042 HG LEU 139 HG LEU 139 0.736 -2.536 4.661 1043 HB2 LEU 139 1HB LEU 139 1.896 0.070 3.744 1044 HB3 LEU 139 2HB LEU 139 2.091 -0.720 5.295 1045 HD11 LEU 139 1HD1 LEU 139 0.047 -3.013 2.316 1046 HD12 LEU 139 2HD1 LEU 139 -0.862 -1.744 3.125 1047 HD13 LEU 139 3HD1 LEU 139 0.391 -1.321 1.933 1048 HD21 LEU 139 3HD2 LEU 139 3.100 -2.757 4.304 1049 HD22 LEU 139 1HD2 LEU 139 2.339 -3.511 2.889 1050 HD23 LEU 139 2HD2 LEU 139 3.017 -1.880 2.772 1051 H ALA 140 H ALA 140 1.052 2.356 5.228 1052 HA ALA 140 HA ALA 140 1.630 2.262 8.097 1053 HB1 ALA 140 1HB ALA 140 3.072 3.589 6.619 1054 HB2 ALA 140 2HB ALA 140 1.681 4.558 6.082 1055 HB3 ALA 140 3HB ALA 140 2.235 4.669 7.754 1056 H GLU 141 H GLU 141 -0.902 3.640 6.048 1057 HA GLU 141 HA GLU 141 -2.141 5.176 8.120 1058 HB2 GLU 141 1HB GLU 141 -2.262 5.508 5.620 1059 HB3 GLU 141 2HB GLU 141 -3.337 4.120 5.490 1060 HG2 GLU 141 1HG GLU 141 -3.872 6.560 7.182 1061 HG3 GLU 141 2HG GLU 141 -4.366 6.502 5.515 1062 H VAL 142 H VAL 142 -3.144 2.209 6.491 1063 HA VAL 142 HA VAL 142 -5.309 1.540 8.129 1064 HB VAL 142 HB VAL 142 -3.484 -0.084 6.270 1065 HG11 VAL 142 1HG1 VAL 142 -6.259 -0.767 7.376 1066 HG12 VAL 142 2HG1 VAL 142 -5.469 -1.601 6.019 1067 HG13 VAL 142 3HG1 VAL 142 -4.750 -1.672 7.640 1068 HG21 VAL 142 3HG2 VAL 142 -5.154 0.315 4.591 1069 HG22 VAL 142 1HG2 VAL 142 -6.242 1.133 5.751 1070 HG23 VAL 142 2HG2 VAL 142 -4.733 1.890 5.247 Start of MODEL 12 1 HA SER 1 HA SER 1 25.760 -12.272 -10.673 2 HG SER 1 HG SER 1 25.171 -12.167 -14.070 3 H1 SER 1 H SER 1 23.344 -13.917 -10.238 4 HB2 SER 1 1HB SER 1 24.383 -13.704 -12.539 5 HB3 SER 1 2HB SER 1 23.556 -12.150 -12.660 6 HA PRO 2 HA PRO 2 23.329 -8.822 -9.156 7 HB2 PRO 2 1HB PRO 2 23.689 -6.838 -11.089 8 HB3 PRO 2 2HB PRO 2 24.815 -7.220 -9.776 9 HG2 PRO 2 1HG PRO 2 25.183 -7.703 -12.624 10 HG3 PRO 2 2HG PRO 2 26.362 -7.871 -11.288 11 HD2 PRO 2 1HD PRO 2 24.721 -9.899 -12.645 12 HD3 PRO 2 2HD PRO 2 26.117 -10.182 -11.579 13 H GLU 3 H GLU 3 21.226 -9.527 -9.246 14 HA GLU 3 HA GLU 3 19.636 -8.628 -11.504 15 HB2 GLU 3 1HB GLU 3 20.538 -11.128 -11.861 16 HB3 GLU 3 2HB GLU 3 19.234 -11.532 -10.779 17 HG2 GLU 3 1HG GLU 3 18.249 -11.667 -12.899 18 HG3 GLU 3 2HG GLU 3 17.739 -10.077 -12.361 19 H ILE 4 H ILE 4 18.137 -11.054 -9.424 20 HA ILE 4 HA ILE 4 16.586 -8.869 -8.230 21 HB ILE 4 HB ILE 4 15.080 -10.613 -7.520 22 HG12 ILE 4 1HG1 ILE 4 16.772 -12.707 -8.918 23 HG13 ILE 4 2HG1 ILE 4 16.984 -12.387 -7.196 24 HG21 ILE 4 1HG2 ILE 4 14.321 -11.314 -9.759 25 HG22 ILE 4 2HG2 ILE 4 14.971 -9.658 -9.846 26 HG23 ILE 4 3HG2 ILE 4 15.918 -11.026 -10.432 27 HD11 ILE 4 3HD1 ILE 4 15.436 -14.235 -7.491 28 HD12 ILE 4 1HD1 ILE 4 14.603 -12.839 -6.781 29 HD13 ILE 4 2HD1 ILE 4 14.369 -13.231 -8.499 30 H MET 5 H MET 5 19.201 -9.040 -7.384 31 HA MET 5 HA MET 5 19.305 -10.208 -4.642 32 HB2 MET 5 1HB MET 5 21.300 -8.619 -6.332 33 HB3 MET 5 2HB MET 5 21.626 -9.119 -4.671 34 HG2 MET 5 1HG MET 5 21.050 -11.015 -6.983 35 HG3 MET 5 2HG MET 5 22.637 -10.624 -6.335 36 HE1 MET 5 3HE MET 5 23.823 -12.078 -4.736 37 HE2 MET 5 1HE MET 5 23.135 -13.651 -4.298 38 HE3 MET 5 2HE MET 5 23.223 -13.173 -6.013 39 H LYS 6 H LYS 6 19.168 -8.952 -2.743 40 HA LYS 6 HA LYS 6 18.364 -7.306 -1.456 41 HB2 LYS 6 1HB LYS 6 20.574 -5.958 -2.992 42 HB3 LYS 6 2HB LYS 6 19.756 -5.177 -1.620 43 HG2 LYS 6 1HG LYS 6 20.409 -7.099 -0.165 44 HG3 LYS 6 2HG LYS 6 21.308 -7.802 -1.526 45 HD2 LYS 6 1HD LYS 6 22.667 -5.719 -1.662 46 HD3 LYS 6 2HD LYS 6 21.808 -5.070 -0.250 47 HE2 LYS 6 1HE LYS 6 22.678 -6.809 1.177 48 HE3 LYS 6 2HE LYS 6 23.300 -7.719 -0.206 49 HZ1 LYS 6 3HZ LYS 6 25.008 -6.478 0.997 50 HZ2 LYS 6 1HZ LYS 6 24.942 -6.042 -0.577 51 HZ3 LYS 6 2HZ LYS 6 24.343 -5.052 0.585 52 H ASN 7 H ASN 7 16.238 -7.483 -2.624 53 HA ASN 7 HA ASN 7 15.500 -4.832 -3.541 54 HB2 ASN 7 1HB ASN 7 14.898 -7.426 -5.045 55 HB3 ASN 7 2HB ASN 7 13.765 -6.073 -5.058 56 HD21 ASN 7 2HD2 ASN 7 17.072 -7.012 -5.952 57 HD22 ASN 7 1HD2 ASN 7 17.293 -5.695 -7.068 58 H LEU 8 H LEU 8 13.560 -4.269 -2.684 59 HA LEU 8 HA LEU 8 12.698 -5.757 -0.352 60 HG LEU 8 HG LEU 8 10.966 -3.747 -2.789 61 HB2 LEU 8 1HB LEU 8 11.332 -4.001 0.123 62 HB3 LEU 8 2HB LEU 8 12.781 -3.337 -0.595 63 HD11 LEU 8 1HD1 LEU 8 9.570 -2.467 -0.412 64 HD12 LEU 8 2HD1 LEU 8 8.917 -2.657 -2.058 65 HD13 LEU 8 3HD1 LEU 8 9.249 -4.083 -1.045 66 HD21 LEU 8 3HD2 LEU 8 10.987 -1.248 -2.812 67 HD22 LEU 8 1HD2 LEU 8 11.873 -1.330 -1.248 68 HD23 LEU 8 2HD2 LEU 8 12.583 -2.026 -2.678 69 H SER 9 H SER 9 12.139 -6.143 -3.524 70 HA SER 9 HA SER 9 9.505 -6.910 -3.985 71 HG SER 9 HG SER 9 9.587 -7.361 -6.409 72 HB2 SER 9 1HB SER 9 11.570 -6.617 -5.550 73 HB3 SER 9 2HB SER 9 11.969 -8.274 -5.130 74 H ASN 10 H ASN 10 12.241 -8.897 -2.803 75 HA ASN 10 HA ASN 10 10.919 -11.373 -2.910 76 HB2 ASN 10 1HB ASN 10 13.004 -10.648 -0.790 77 HB3 ASN 10 2HB ASN 10 12.606 -12.252 -1.379 78 HD21 ASN 10 2HD2 ASN 10 14.302 -9.165 -2.189 79 HD22 ASN 10 1HD2 ASN 10 15.268 -9.934 -3.437 80 H ASN 11 H ASN 11 11.281 -9.122 -0.232 81 HA ASN 11 HA ASN 11 9.965 -10.797 1.715 82 HB2 ASN 11 1HB ASN 11 10.517 -7.826 1.936 83 HB3 ASN 11 2HB ASN 11 10.397 -9.018 3.225 84 HD21 ASN 11 2HD2 ASN 11 12.613 -7.168 1.591 85 HD22 ASN 11 1HD2 ASN 11 14.015 -8.189 1.706 86 H PHE 12 H PHE 12 9.062 -8.020 -0.352 87 HA PHE 12 HA PHE 12 6.544 -7.451 0.602 88 HD1 PHE 12 HD1 PHE 12 4.631 -6.692 -0.218 89 HD2 PHE 12 HD2 PHE 12 7.590 -4.728 -2.644 90 HE1 PHE 12 HE1 PHE 12 3.586 -4.499 0.301 91 HE2 PHE 12 HE2 PHE 12 6.506 -2.543 -2.223 92 HZ PHE 12 HZ PHE 12 4.633 -2.366 -0.630 93 HB2 PHE 12 1HB PHE 12 8.037 -6.839 -1.719 94 HB3 PHE 12 2HB PHE 12 6.638 -7.637 -2.372 95 H GLY 13 H GLY 13 7.445 -9.820 -1.978 96 HA2 GLY 13 1HA GLY 13 4.854 -10.864 -2.378 97 HA3 GLY 13 2HA GLY 13 6.369 -11.661 -2.808 98 H LYS 14 H LYS 14 7.416 -11.755 -0.021 99 HA LYS 14 HA LYS 14 6.328 -14.145 0.963 100 HB2 LYS 14 1HB LYS 14 8.442 -12.470 1.681 101 HB3 LYS 14 2HB LYS 14 7.359 -12.161 2.987 102 HG2 LYS 14 1HG LYS 14 7.121 -14.715 3.197 103 HG3 LYS 14 2HG LYS 14 8.529 -14.757 2.099 104 HD2 LYS 14 1HD LYS 14 9.926 -13.691 3.782 105 HD3 LYS 14 2HD LYS 14 8.517 -13.113 4.667 106 HE2 LYS 14 1HE LYS 14 9.212 -14.797 6.050 107 HE3 LYS 14 2HE LYS 14 7.930 -15.584 5.119 108 HZ1 LYS 14 3HZ LYS 14 9.781 -16.463 3.687 109 HZ2 LYS 14 1HZ LYS 14 10.854 -15.819 4.720 110 HZ3 LYS 14 2HZ LYS 14 9.824 -17.022 5.229 111 H ALA 15 H ALA 15 5.809 -10.777 2.140 112 HA ALA 15 HA ALA 15 4.025 -11.711 4.097 113 HB1 ALA 15 1HB ALA 15 4.268 -8.892 2.972 114 HB2 ALA 15 2HB ALA 15 3.574 -9.330 4.557 115 HB3 ALA 15 3HB ALA 15 5.298 -9.584 4.223 116 H MET 16 H MET 16 3.474 -10.664 0.774 117 HA MET 16 HA MET 16 0.655 -10.434 0.817 118 HB2 MET 16 1HB MET 16 2.397 -9.865 -1.116 119 HB3 MET 16 2HB MET 16 2.182 -11.554 -1.567 120 HG2 MET 16 1HG MET 16 -0.090 -9.584 -1.150 121 HG3 MET 16 2HG MET 16 0.604 -9.939 -2.726 122 HE1 MET 16 3HE MET 16 -2.437 -10.078 -1.473 123 HE2 MET 16 1HE MET 16 -2.647 -10.777 -3.063 124 HE3 MET 16 2HE MET 16 -3.156 -11.703 -1.624 125 H ASP 17 H ASP 17 2.906 -13.210 0.186 126 HA ASP 17 HA ASP 17 0.910 -15.140 -0.206 127 HB2 ASP 17 1HB ASP 17 3.465 -15.316 -0.644 128 HB3 ASP 17 2HB ASP 17 3.592 -15.793 1.045 129 H GLN 18 H GLN 18 2.552 -14.115 2.860 130 HA GLN 18 HA GLN 18 1.298 -15.941 4.580 131 HB2 GLN 18 1HB GLN 18 1.821 -13.030 5.162 132 HB3 GLN 18 2HB GLN 18 1.701 -14.344 6.317 133 HG2 GLN 18 1HG GLN 18 3.959 -13.883 4.383 134 HG3 GLN 18 2HG GLN 18 3.906 -13.585 6.080 135 HE21 GLN 18 2HE2 GLN 18 5.273 -15.695 3.922 136 HE22 GLN 18 1HE2 GLN 18 5.511 -16.936 5.119 137 H CYS 19 H CYS 19 -0.014 -12.970 3.060 138 HA CYS 19 HA CYS 19 -2.392 -12.982 4.821 139 HB2 CYS 19 1HB CYS 19 -1.571 -11.336 2.425 140 HB3 CYS 19 2HB CYS 19 -3.056 -11.073 3.312 141 H LYS 20 H LYS 20 -1.527 -13.721 1.425 142 HA LYS 20 HA LYS 20 -4.069 -14.676 0.578 143 HB2 LYS 20 1HB LYS 20 -2.089 -14.005 -0.771 144 HB3 LYS 20 2HB LYS 20 -1.269 -15.460 -0.248 145 HG2 LYS 20 1HG LYS 20 -3.174 -16.778 -1.374 146 HG3 LYS 20 2HG LYS 20 -3.715 -15.229 -1.972 147 HD2 LYS 20 1HD LYS 20 -2.242 -15.957 -3.721 148 HD3 LYS 20 2HD LYS 20 -1.185 -14.947 -2.759 149 HE2 LYS 20 1HE LYS 20 0.131 -16.828 -2.887 150 HE3 LYS 20 2HE LYS 20 -0.766 -17.201 -1.399 151 HZ1 LYS 20 3HZ LYS 20 -2.180 -18.643 -2.623 152 HZ2 LYS 20 1HZ LYS 20 -1.561 -18.155 -4.077 153 HZ3 LYS 20 2HZ LYS 20 -0.622 -19.004 -3.005 154 H ASP 21 H ASP 21 -2.018 -15.873 2.994 155 HA ASP 21 HA ASP 21 -2.884 -18.651 2.724 156 HB2 ASP 21 1HB ASP 21 -0.442 -18.368 3.041 157 HB3 ASP 21 2HB ASP 21 -0.707 -17.367 4.453 158 H GLU 22 H GLU 22 -2.288 -16.275 5.365 159 HA GLU 22 HA GLU 22 -4.028 -17.493 7.197 160 HB2 GLU 22 1HB GLU 22 -2.950 -14.685 6.976 161 HB3 GLU 22 2HB GLU 22 -3.950 -15.209 8.332 162 HG2 GLU 22 1HG GLU 22 -1.553 -16.850 7.585 163 HG3 GLU 22 2HG GLU 22 -1.398 -15.411 8.570 164 H LEU 23 H LEU 23 -4.683 -15.229 4.566 165 HA LEU 23 HA LEU 23 -7.521 -15.018 5.528 166 HG LEU 23 HG LEU 23 -5.130 -12.575 5.212 167 HB2 LEU 23 1HB LEU 23 -6.314 -13.499 3.241 168 HB3 LEU 23 2HB LEU 23 -7.844 -13.264 4.039 169 HD11 LEU 23 1HD1 LEU 23 -7.479 -10.925 4.164 170 HD12 LEU 23 2HD1 LEU 23 -6.057 -10.255 4.972 171 HD13 LEU 23 3HD1 LEU 23 -5.869 -11.085 3.420 172 HD21 LEU 23 3HD2 LEU 23 -7.940 -12.337 6.361 173 HD22 LEU 23 1HD2 LEU 23 -6.577 -13.247 7.040 174 HD23 LEU 23 2HD2 LEU 23 -6.530 -11.475 7.004 175 H SER 24 H SER 24 -5.484 -16.791 3.371 176 HA SER 24 HA SER 24 -5.975 -18.284 1.779 177 HG SER 24 HG SER 24 -6.990 -20.079 3.183 178 HB2 SER 24 1HB SER 24 -8.234 -18.294 3.523 179 HB3 SER 24 2HB SER 24 -8.889 -18.392 1.898 180 H LEU 25 H LEU 25 -5.951 -15.340 1.021 181 HA LEU 25 HA LEU 25 -8.177 -14.690 -0.492 182 HG LEU 25 HG LEU 25 -5.773 -12.650 1.176 183 HB2 LEU 25 1HB LEU 25 -5.355 -13.578 -0.925 184 HB3 LEU 25 2HB LEU 25 -6.814 -12.883 -1.577 185 HD11 LEU 25 1HD1 LEU 25 -5.821 -10.965 -0.616 186 HD12 LEU 25 2HD1 LEU 25 -7.577 -10.945 -0.583 187 HD13 LEU 25 3HD1 LEU 25 -6.679 -10.471 0.876 188 HD21 LEU 25 3HD2 LEU 25 -8.096 -12.028 1.999 189 HD22 LEU 25 1HD2 LEU 25 -8.787 -12.688 0.500 190 HD23 LEU 25 2HD2 LEU 25 -8.018 -13.761 1.659 191 HA PRO 26 HA PRO 26 -7.764 -17.338 -3.982 192 HB2 PRO 26 1HB PRO 26 -9.482 -16.054 -5.759 193 HB3 PRO 26 2HB PRO 26 -9.994 -17.185 -4.489 194 HG2 PRO 26 1HG PRO 26 -10.072 -14.198 -4.554 195 HG3 PRO 26 2HG PRO 26 -11.206 -15.309 -3.747 196 HD2 PRO 26 1HD PRO 26 -9.220 -13.875 -2.435 197 HD3 PRO 26 2HD PRO 26 -9.892 -15.406 -1.837 198 H ASP 27 H ASP 27 -6.731 -17.380 -6.018 199 HA ASP 27 HA ASP 27 -4.700 -15.537 -6.371 200 HB2 ASP 27 1HB ASP 27 -4.834 -17.910 -7.140 201 HB3 ASP 27 2HB ASP 27 -5.819 -17.380 -8.495 202 H SER 28 H SER 28 -7.901 -15.359 -7.567 203 HA SER 28 HA SER 28 -7.478 -13.412 -9.700 204 HG SER 28 HG SER 28 -9.775 -11.872 -9.458 205 HB2 SER 28 1HB SER 28 -9.584 -14.744 -9.530 206 HB3 SER 28 2HB SER 28 -9.971 -13.838 -8.058 207 H VAL 29 H VAL 29 -8.549 -13.253 -6.219 208 HA VAL 29 HA VAL 29 -8.599 -10.374 -6.277 209 HB VAL 29 HB VAL 29 -8.672 -12.396 -4.012 210 HG11 VAL 29 1HG1 VAL 29 -7.779 -10.360 -3.028 211 HG12 VAL 29 2HG1 VAL 29 -8.995 -9.372 -3.868 212 HG13 VAL 29 3HG1 VAL 29 -9.466 -10.515 -2.593 213 HG21 VAL 29 3HG2 VAL 29 -10.660 -12.255 -5.576 214 HG22 VAL 29 1HG2 VAL 29 -11.045 -11.764 -3.919 215 HG23 VAL 29 2HG2 VAL 29 -10.806 -10.543 -5.190 216 H VAL 30 H VAL 30 -6.065 -12.742 -5.618 217 HA VAL 30 HA VAL 30 -4.092 -10.913 -4.595 218 HB VAL 30 HB VAL 30 -3.956 -13.562 -6.079 219 HG11 VAL 30 1HG1 VAL 30 -1.669 -13.850 -5.182 220 HG12 VAL 30 2HG1 VAL 30 -1.781 -12.551 -6.382 221 HG13 VAL 30 3HG1 VAL 30 -1.684 -12.162 -4.647 222 HG21 VAL 30 3HG2 VAL 30 -4.048 -14.657 -4.109 223 HG22 VAL 30 1HG2 VAL 30 -3.238 -13.378 -3.175 224 HG23 VAL 30 2HG2 VAL 30 -4.955 -13.257 -3.578 225 H ALA 31 H ALA 31 -4.719 -12.214 -7.924 226 HA ALA 31 HA ALA 31 -2.689 -10.636 -9.194 227 HB1 ALA 31 1HB ALA 31 -3.794 -12.659 -10.177 228 HB2 ALA 31 2HB ALA 31 -5.292 -11.734 -10.362 229 HB3 ALA 31 3HB ALA 31 -3.841 -11.250 -11.263 230 H ASP 32 H ASP 32 -6.117 -10.192 -8.659 231 HA ASP 32 HA ASP 32 -6.513 -7.704 -9.935 232 HB2 ASP 32 1HB ASP 32 -8.021 -8.776 -7.531 233 HB3 ASP 32 2HB ASP 32 -8.571 -7.526 -8.639 234 H LEU 33 H LEU 33 -5.048 -8.421 -6.738 235 HA LEU 33 HA LEU 33 -5.048 -5.633 -5.969 236 HG LEU 33 HG LEU 33 -5.201 -6.994 -3.012 237 HB2 LEU 33 1HB LEU 33 -4.484 -8.145 -4.706 238 HB3 LEU 33 2HB LEU 33 -2.965 -7.348 -4.764 239 HD11 LEU 33 1HD1 LEU 33 -3.490 -5.843 -1.612 240 HD12 LEU 33 2HD1 LEU 33 -2.829 -7.319 -2.352 241 HD13 LEU 33 3HD1 LEU 33 -2.435 -5.727 -3.051 242 HD21 LEU 33 3HD2 LEU 33 -5.895 -4.979 -4.187 243 HD22 LEU 33 1HD2 LEU 33 -5.181 -4.562 -2.642 244 HD23 LEU 33 2HD2 LEU 33 -4.233 -4.339 -4.132 245 H TYR 34 H TYR 34 -2.637 -7.947 -7.351 246 HA TYR 34 HA TYR 34 -0.563 -5.958 -7.480 247 HD1 TYR 34 HD2 TYR 34 2.197 -7.127 -7.813 248 HD2 TYR 34 HD1 TYR 34 -1.012 -9.855 -6.927 249 HE1 TYR 34 HE2 TYR 34 3.592 -8.206 -6.124 250 HE2 TYR 34 HE1 TYR 34 0.362 -10.936 -5.209 251 HH TYR 34 HH TYR 34 2.493 -11.135 -4.352 252 HB2 TYR 34 1HB TYR 34 -1.036 -8.523 -9.020 253 HB3 TYR 34 2HB TYR 34 0.300 -7.455 -9.390 254 H ASN 35 H ASN 35 -3.360 -6.616 -9.559 255 HA ASN 35 HA ASN 35 -2.738 -4.890 -11.728 256 HB2 ASN 35 1HB ASN 35 -5.432 -5.579 -10.510 257 HB3 ASN 35 2HB ASN 35 -5.219 -4.685 -12.003 258 HD21 ASN 35 2HD2 ASN 35 -6.683 -7.005 -12.101 259 HD22 ASN 35 1HD2 ASN 35 -5.804 -8.297 -12.841 260 H PHE 36 H PHE 36 -3.869 -4.201 -8.444 261 HA PHE 36 HA PHE 36 -4.990 -1.672 -9.049 262 HD1 PHE 36 HD1 PHE 36 -7.074 -0.993 -7.606 263 HD2 PHE 36 HD2 PHE 36 -3.726 -1.112 -4.887 264 HE1 PHE 36 HE1 PHE 36 -7.820 1.148 -6.562 265 HE2 PHE 36 HE2 PHE 36 -4.476 1.003 -3.851 266 HZ PHE 36 HZ PHE 36 -6.481 2.107 -4.651 267 HB2 PHE 36 1HB PHE 36 -5.520 -3.214 -7.031 268 HB3 PHE 36 2HB PHE 36 -3.958 -2.769 -6.395 269 H TRP 37 H TRP 37 -1.684 -2.585 -8.495 270 HA TRP 37 HA TRP 37 -0.999 0.316 -8.565 271 HD1 TRP 37 HD1 TRP 37 0.210 -3.734 -6.917 272 HE1 TRP 37 HE1 TRP 37 -0.760 -4.521 -4.718 273 HE3 TRP 37 HE3 TRP 37 -0.984 0.814 -4.943 274 HZ2 TRP 37 HZ2 TRP 37 -2.178 -3.309 -2.441 275 HZ3 TRP 37 HZ3 TRP 37 -2.071 0.993 -2.719 276 HH2 TRP 37 HH2 TRP 37 -2.700 -1.037 -1.473 277 HB2 TRP 37 1HB TRP 37 1.185 -1.273 -7.667 278 HB3 TRP 37 2HB TRP 37 0.436 0.111 -6.945 279 H LYS 38 H LYS 38 -1.471 -1.979 -10.700 280 HA LYS 38 HA LYS 38 1.046 -1.808 -12.210 281 HB2 LYS 38 1HB LYS 38 -1.599 -3.219 -12.494 282 HB3 LYS 38 2HB LYS 38 -0.687 -2.912 -13.967 283 HG2 LYS 38 1HG LYS 38 1.309 -3.963 -13.130 284 HG3 LYS 38 2HG LYS 38 0.663 -4.160 -11.523 285 HD2 LYS 38 1HD LYS 38 -0.778 -5.970 -12.187 286 HD3 LYS 38 2HD LYS 38 -0.529 -5.612 -13.910 287 HE2 LYS 38 1HE LYS 38 1.873 -6.116 -13.705 288 HE3 LYS 38 2HE LYS 38 1.693 -6.453 -11.984 289 HZ1 LYS 38 3HZ LYS 38 0.284 -8.011 -14.062 290 HZ2 LYS 38 1HZ LYS 38 1.787 -8.380 -13.569 291 HZ3 LYS 38 2HZ LYS 38 0.546 -8.441 -12.489 292 H ASP 39 H ASP 39 -2.198 -1.181 -13.522 293 HA ASP 39 HA ASP 39 -1.070 1.268 -14.818 294 HB2 ASP 39 1HB ASP 39 -3.450 -0.474 -15.552 295 HB3 ASP 39 2HB ASP 39 -3.134 1.109 -16.265 296 H ASP 40 H ASP 40 -4.460 0.518 -14.165 297 HA ASP 40 HA ASP 40 -4.708 2.580 -12.140 298 HB2 ASP 40 1HB ASP 40 -5.878 4.266 -13.344 299 HB3 ASP 40 2HB ASP 40 -4.288 4.020 -14.040 300 H TYR 41 H TYR 41 -5.529 -0.142 -12.455 301 HA TYR 41 HA TYR 41 -8.294 -0.532 -12.981 302 HD1 TYR 41 HD1 TYR 41 -6.940 -2.408 -9.324 303 HD2 TYR 41 HD2 TYR 41 -9.133 -3.597 -12.823 304 HE1 TYR 41 HE1 TYR 41 -8.386 -3.754 -7.891 305 HE2 TYR 41 HE2 TYR 41 -10.595 -5.035 -11.409 306 HH TYR 41 HH TYR 41 -10.033 -5.628 -7.973 307 HB2 TYR 41 1HB TYR 41 -6.911 -2.413 -12.962 308 HB3 TYR 41 2HB TYR 41 -6.091 -1.941 -11.484 309 H VAL 42 H VAL 42 -10.009 -1.127 -11.333 310 HA VAL 42 HA VAL 42 -9.897 0.507 -8.865 311 HB VAL 42 HB VAL 42 -11.783 0.731 -11.172 312 HG11 VAL 42 1HG1 VAL 42 -13.600 1.640 -9.694 313 HG12 VAL 42 2HG1 VAL 42 -13.433 -0.112 -9.644 314 HG13 VAL 42 3HG1 VAL 42 -12.802 0.864 -8.306 315 HG21 VAL 42 3HG2 VAL 42 -10.953 2.625 -8.933 316 HG22 VAL 42 1HG2 VAL 42 -10.122 2.463 -10.497 317 HG23 VAL 42 2HG2 VAL 42 -11.792 3.059 -10.432 318 H MET 43 H MET 43 -10.228 -0.643 -7.177 319 HA MET 43 HA MET 43 -10.707 -3.440 -7.164 320 HB2 MET 43 1HB MET 43 -10.729 -1.282 -5.022 321 HB3 MET 43 2HB MET 43 -11.124 -2.964 -4.647 322 HG2 MET 43 1HG MET 43 -8.959 -3.653 -5.701 323 HG3 MET 43 2HG MET 43 -8.505 -1.955 -5.777 324 HE1 MET 43 3HE MET 43 -7.195 -0.851 -3.879 325 HE2 MET 43 1HE MET 43 -8.876 -0.450 -3.459 326 HE3 MET 43 2HE MET 43 -7.734 -0.975 -2.194 327 H THR 44 H THR 44 -12.362 -4.652 -6.387 328 HA THR 44 HA THR 44 -15.048 -3.442 -6.075 329 HB THR 44 HB THR 44 -15.960 -5.351 -7.408 330 HG1 THR 44 1HG THR 44 -13.324 -5.634 -8.429 331 HG21 THR 44 3HG2 THR 44 -14.085 -3.570 -9.029 332 HG22 THR 44 1HG2 THR 44 -15.508 -4.456 -9.621 333 HG23 THR 44 2HG2 THR 44 -15.713 -3.120 -8.475 334 H ASP 45 H ASP 45 -12.915 -6.338 -5.638 335 HA ASP 45 HA ASP 45 -14.819 -7.476 -3.747 336 HB2 ASP 45 1HB ASP 45 -13.010 -8.731 -5.232 337 HB3 ASP 45 2HB ASP 45 -11.952 -8.454 -3.878 338 H ARG 46 H ARG 46 -14.844 -7.348 -1.729 339 HA ARG 46 HA ARG 46 -13.494 -5.389 -0.130 340 HE ARG 46 HE ARG 46 -16.212 -10.436 0.439 341 HB2 ARG 46 1HB ARG 46 -14.651 -6.292 1.712 342 HB3 ARG 46 2HB ARG 46 -15.720 -6.435 0.306 343 HG2 ARG 46 1HG ARG 46 -14.953 -8.802 -0.024 344 HG3 ARG 46 2HG ARG 46 -14.162 -8.716 1.562 345 HD2 ARG 46 1HD ARG 46 -16.174 -8.589 2.699 346 HD3 ARG 46 2HD ARG 46 -17.081 -7.997 1.286 347 HH11 ARG 46 2HH2 ARG 46 -18.339 -9.300 3.078 348 HH12 ARG 46 1HH2 ARG 46 -19.171 -10.827 3.170 349 HH21 ARG 46 2HH1 ARG 46 -17.070 -12.454 0.853 350 HH22 ARG 46 1HH1 ARG 46 -18.529 -12.599 1.822 351 H LEU 47 H LEU 47 -12.812 -8.812 -0.858 352 HA LEU 47 HA LEU 47 -10.898 -9.209 1.220 353 HG LEU 47 HG LEU 47 -12.999 -11.187 0.269 354 HB2 LEU 47 1HB LEU 47 -11.365 -10.538 -1.463 355 HB3 LEU 47 2HB LEU 47 -10.039 -11.013 -0.409 356 HD11 LEU 47 1HD1 LEU 47 -12.107 -12.803 -1.411 357 HD12 LEU 47 2HD1 LEU 47 -10.896 -13.348 -0.231 358 HD13 LEU 47 3HD1 LEU 47 -12.615 -13.591 0.109 359 HD21 LEU 47 3HD2 LEU 47 -11.816 -10.805 2.355 360 HD22 LEU 47 1HD2 LEU 47 -12.146 -12.531 2.251 361 HD23 LEU 47 2HD2 LEU 47 -10.521 -11.935 1.886 362 H ALA 48 H ALA 48 -10.567 -7.670 -2.016 363 HA ALA 48 HA ALA 48 -7.704 -7.682 -2.010 364 HB1 ALA 48 1HB ALA 48 -9.605 -5.551 -3.076 365 HB2 ALA 48 2HB ALA 48 -7.906 -5.767 -3.511 366 HB3 ALA 48 3HB ALA 48 -9.082 -7.017 -3.951 367 H GLY 49 H GLY 49 -10.062 -5.466 -0.460 368 HA2 GLY 49 1HA GLY 49 -8.148 -3.652 0.682 369 HA3 GLY 49 2HA GLY 49 -9.817 -3.911 1.217 370 H CYS 50 H CYS 50 -9.618 -6.728 1.819 371 HA CYS 50 HA CYS 50 -8.476 -6.616 4.449 372 HB2 CYS 50 1HB CYS 50 -9.175 -9.114 2.866 373 HB3 CYS 50 2HB CYS 50 -8.974 -8.959 4.598 374 H ALA 51 H ALA 51 -7.237 -8.001 1.350 375 HA ALA 51 HA ALA 51 -4.793 -8.991 2.282 376 HB1 ALA 51 1HB ALA 51 -4.584 -9.446 0.096 377 HB2 ALA 51 2HB ALA 51 -6.025 -8.529 -0.260 378 HB3 ALA 51 3HB ALA 51 -4.436 -7.725 -0.302 379 H ILE 52 H ILE 52 -5.611 -5.636 1.257 380 HA ILE 52 HA ILE 52 -3.058 -4.501 1.762 381 HB ILE 52 HB ILE 52 -5.826 -3.209 1.877 382 HG12 ILE 52 1HG1 ILE 52 -3.735 -3.139 -0.340 383 HG13 ILE 52 2HG1 ILE 52 -5.152 -4.158 -0.342 384 HG21 ILE 52 1HG2 ILE 52 -4.636 -1.040 1.675 385 HG22 ILE 52 2HG2 ILE 52 -4.243 -1.848 3.170 386 HG23 ILE 52 3HG2 ILE 52 -3.086 -1.899 1.825 387 HD11 ILE 52 3HD1 ILE 52 -6.602 -2.101 -0.293 388 HD12 ILE 52 1HD1 ILE 52 -5.132 -1.116 -0.490 389 HD13 ILE 52 2HD1 ILE 52 -5.595 -2.253 -1.745 390 H ASN 53 H ASN 53 -5.925 -4.586 4.028 391 HA ASN 53 HA ASN 53 -4.329 -3.425 6.081 392 HB2 ASN 53 1HB ASN 53 -6.058 -3.687 7.596 393 HB3 ASN 53 2HB ASN 53 -6.819 -3.348 6.041 394 HD21 ASN 53 2HD2 ASN 53 -8.867 -4.289 6.593 395 HD22 ASN 53 1HD2 ASN 53 -9.018 -6.035 6.839 396 H CYS 54 H CYS 54 -4.541 -6.783 5.078 397 HA CYS 54 HA CYS 54 -3.378 -7.844 7.506 398 HB2 CYS 54 1HB CYS 54 -4.590 -9.280 6.133 399 HB3 CYS 54 2HB CYS 54 -3.638 -8.917 4.691 400 H LEU 55 H LEU 55 -2.042 -6.807 4.346 401 HA LEU 55 HA LEU 55 0.696 -7.308 4.914 402 HG LEU 55 HG LEU 55 1.174 -5.853 1.571 403 HB2 LEU 55 1HB LEU 55 -0.754 -5.334 3.151 404 HB3 LEU 55 2HB LEU 55 0.864 -4.918 3.613 405 HD11 LEU 55 1HD1 LEU 55 2.488 -7.806 1.812 406 HD12 LEU 55 2HD1 LEU 55 2.644 -6.930 3.353 407 HD13 LEU 55 3HD1 LEU 55 1.580 -8.356 3.237 408 HD21 LEU 55 3HD2 LEU 55 0.220 -7.922 0.758 409 HD22 LEU 55 1HD2 LEU 55 -0.630 -8.158 2.332 410 HD23 LEU 55 2HD2 LEU 55 -1.050 -6.794 1.252 411 H ALA 56 H ALA 56 -1.394 -4.721 6.047 412 HA ALA 56 HA ALA 56 0.694 -3.098 7.167 413 HB1 ALA 56 1HB ALA 56 -1.522 -2.284 6.443 414 HB2 ALA 56 2HB ALA 56 -2.268 -3.103 7.839 415 HB3 ALA 56 3HB ALA 56 -1.111 -1.801 8.098 416 H THR 57 H THR 57 -0.886 -6.024 8.360 417 HA THR 57 HA THR 57 0.150 -5.422 11.074 418 HB THR 57 HB THR 57 -2.236 -6.244 10.690 419 HG1 THR 57 1HG THR 57 -2.136 -7.213 12.689 420 HG21 THR 57 3HG2 THR 57 -1.787 -8.251 9.347 421 HG22 THR 57 1HG2 THR 57 -0.768 -8.912 10.650 422 HG23 THR 57 2HG2 THR 57 -2.516 -8.678 10.890 423 H LYS 58 H LYS 58 1.370 -6.453 8.108 424 HA LYS 58 HA LYS 58 3.281 -8.255 9.406 425 HB2 LYS 58 1HB LYS 58 1.704 -8.532 6.828 426 HB3 LYS 58 2HB LYS 58 3.281 -9.302 7.015 427 HG2 LYS 58 1HG LYS 58 2.600 -10.418 9.045 428 HG3 LYS 58 2HG LYS 58 0.979 -9.691 8.947 429 HD2 LYS 58 1HD LYS 58 0.449 -10.858 6.907 430 HD3 LYS 58 2HD LYS 58 2.112 -11.428 6.749 431 HE2 LYS 58 1HE LYS 58 0.648 -13.242 7.514 432 HE3 LYS 58 2HE LYS 58 1.888 -12.863 8.707 433 HZ1 LYS 58 3HZ LYS 58 0.198 -11.681 9.975 434 HZ2 LYS 58 1HZ LYS 58 -0.982 -12.115 8.885 435 HZ3 LYS 58 2HZ LYS 58 -0.146 -13.219 9.758 436 H LEU 59 H LEU 59 3.412 -5.390 9.285 437 HA LEU 59 HA LEU 59 5.058 -4.545 7.154 438 HG LEU 59 HG LEU 59 3.039 -3.333 9.440 439 HB2 LEU 59 1HB LEU 59 5.393 -3.611 10.020 440 HB3 LEU 59 2HB LEU 59 5.889 -2.768 8.541 441 HD11 LEU 59 1HD1 LEU 59 4.159 -1.620 10.780 442 HD12 LEU 59 2HD1 LEU 59 4.587 -0.732 9.292 443 HD13 LEU 59 3HD1 LEU 59 2.884 -0.912 9.777 444 HD21 LEU 59 3HD2 LEU 59 4.078 -1.872 6.983 445 HD22 LEU 59 1HD2 LEU 59 3.046 -3.308 7.009 446 HD23 LEU 59 2HD2 LEU 59 2.412 -1.748 7.566 447 H ASP 60 H ASP 60 5.673 -6.554 9.960 448 HA ASP 60 HA ASP 60 8.571 -6.383 9.936 449 HB2 ASP 60 1HB ASP 60 8.325 -8.117 11.693 450 HB3 ASP 60 2HB ASP 60 7.353 -6.699 12.021 451 H VAL 61 H VAL 61 6.284 -7.989 8.001 452 HA VAL 61 HA VAL 61 8.225 -10.146 7.303 453 HB VAL 61 HB VAL 61 5.331 -9.880 6.454 454 HG11 VAL 61 1HG1 VAL 61 7.235 -12.267 6.438 455 HG12 VAL 61 2HG1 VAL 61 5.570 -12.307 5.875 456 HG13 VAL 61 3HG1 VAL 61 6.760 -11.323 5.023 457 HG21 VAL 61 3HG2 VAL 61 4.774 -11.687 8.095 458 HG22 VAL 61 1HG2 VAL 61 6.386 -11.489 8.805 459 HG23 VAL 61 2HG2 VAL 61 5.217 -10.161 8.867 460 H VAL 62 H VAL 62 6.067 -7.531 5.996 461 HA VAL 62 HA VAL 62 6.991 -7.822 3.330 462 HB VAL 62 HB VAL 62 4.866 -6.714 4.478 463 HG11 VAL 62 1HG1 VAL 62 4.812 -4.375 4.627 464 HG12 VAL 62 2HG1 VAL 62 6.250 -4.884 5.542 465 HG13 VAL 62 3HG1 VAL 62 6.426 -4.210 3.907 466 HG21 VAL 62 3HG2 VAL 62 5.042 -7.001 2.090 467 HG22 VAL 62 1HG2 VAL 62 4.423 -5.377 2.460 468 HG23 VAL 62 2HG2 VAL 62 6.126 -5.592 1.991 469 H ASP 63 H ASP 63 8.208 -5.940 6.059 470 HA ASP 63 HA ASP 63 10.517 -4.896 4.508 471 HB2 ASP 63 1HB ASP 63 8.953 -3.083 4.529 472 HB3 ASP 63 2HB ASP 63 8.524 -3.365 6.180 473 HA PRO 64 HA PRO 64 11.582 -7.086 8.451 474 HB2 PRO 64 1HB PRO 64 13.685 -8.577 7.543 475 HB3 PRO 64 2HB PRO 64 11.977 -9.082 7.336 476 HG2 PRO 64 1HG PRO 64 13.766 -7.647 5.345 477 HG3 PRO 64 2HG PRO 64 12.746 -9.100 5.072 478 HD2 PRO 64 1HD PRO 64 11.915 -6.590 4.421 479 HD3 PRO 64 2HD PRO 64 10.771 -7.814 5.041 480 H ASP 65 H ASP 65 13.112 -4.938 6.237 481 HA ASP 65 HA ASP 65 15.638 -4.526 7.515 482 HB2 ASP 65 1HB ASP 65 13.969 -2.921 5.544 483 HB3 ASP 65 2HB ASP 65 15.510 -2.371 6.152 484 H GLY 66 H GLY 66 12.358 -3.259 8.207 485 HA2 GLY 66 1HA GLY 66 11.921 -2.877 10.473 486 HA3 GLY 66 2HA GLY 66 13.578 -2.378 10.746 487 H ASN 67 H ASN 67 11.488 -1.026 8.061 488 HA ASN 67 HA ASN 67 12.157 1.548 9.262 489 HB2 ASN 67 1HB ASN 67 11.792 0.813 6.376 490 HB3 ASN 67 2HB ASN 67 12.264 2.380 7.048 491 HD21 ASN 67 2HD2 ASN 67 13.386 -0.744 6.124 492 HD22 ASN 67 1HD2 ASN 67 15.043 -0.597 6.691 493 H LEU 68 H LEU 68 9.616 -0.360 7.623 494 HA LEU 68 HA LEU 68 7.652 1.824 7.630 495 HG LEU 68 HG LEU 68 6.766 1.257 5.385 496 HB2 LEU 68 1HB LEU 68 8.017 -0.675 6.321 497 HB3 LEU 68 2HB LEU 68 6.754 -1.031 7.411 498 HD11 LEU 68 1HD1 LEU 68 5.453 -1.486 5.311 499 HD12 LEU 68 2HD1 LEU 68 5.152 -0.176 4.146 500 HD13 LEU 68 3HD1 LEU 68 6.773 -0.886 4.298 501 HD21 LEU 68 3HD2 LEU 68 5.275 1.897 7.186 502 HD22 LEU 68 1HD2 LEU 68 4.320 1.426 5.785 503 HD23 LEU 68 2HD2 LEU 68 4.480 0.316 7.157 504 H HIS 69 H HIS 69 6.171 2.293 9.176 505 HA HIS 69 HA HIS 69 5.631 0.281 11.219 506 HD1 HIS 69 HD1 HIS 69 8.109 -0.069 13.133 507 HD2 HIS 69 HD2 HIS 69 8.548 3.671 11.226 508 HE1 HIS 69 HE1 HIS 69 10.650 0.390 12.956 509 HE2 HIS 69 HE2 HIS 69 10.894 2.661 11.797 510 HB2 HIS 69 1HB HIS 69 6.054 3.047 12.259 511 HB3 HIS 69 2HB HIS 69 5.906 1.543 13.094 512 H HIS 70 H HIS 70 3.714 0.797 12.527 513 HA HIS 70 HA HIS 70 1.468 1.652 10.980 514 HD1 HIS 70 HD1 HIS 70 2.930 -0.609 14.700 515 HD2 HIS 70 HD2 HIS 70 1.453 3.356 15.043 516 HE1 HIS 70 HE1 HIS 70 3.701 0.290 16.977 517 HE2 HIS 70 HE2 HIS 70 2.715 2.700 17.184 518 HB2 HIS 70 1HB HIS 70 0.297 1.630 13.164 519 HB3 HIS 70 2HB HIS 70 1.160 0.147 12.843 520 H GLY 71 H GLY 71 0.574 3.645 10.745 521 HA2 GLY 71 1HA GLY 71 0.398 5.875 10.603 522 HA3 GLY 71 2HA GLY 71 1.119 5.989 12.213 523 H ASN 72 H ASN 72 3.251 4.370 9.978 524 HA ASN 72 HA ASN 72 4.815 6.844 9.656 525 HB2 ASN 72 1HB ASN 72 5.027 5.212 11.905 526 HB3 ASN 72 2HB ASN 72 6.322 4.600 10.863 527 HD21 ASN 72 2HD2 ASN 72 7.788 5.531 12.487 528 HD22 ASN 72 1HD2 ASN 72 7.992 7.259 12.677 529 H ALA 73 H ALA 73 4.551 6.602 7.435 530 HA ALA 73 HA ALA 73 5.769 4.259 6.083 531 HB1 ALA 73 1HB ALA 73 5.178 5.519 4.031 532 HB2 ALA 73 2HB ALA 73 3.769 5.311 5.076 533 HB3 ALA 73 3HB ALA 73 4.617 6.874 5.020 534 H LYS 74 H LYS 74 7.160 6.927 7.779 535 HA LYS 74 HA LYS 74 8.187 8.343 5.513 536 HB2 LYS 74 1HB LYS 74 7.874 8.584 8.491 537 HB3 LYS 74 2HB LYS 74 9.340 9.271 7.851 538 HG2 LYS 74 1HG LYS 74 7.911 10.483 6.093 539 HG3 LYS 74 2HG LYS 74 6.515 9.819 6.914 540 HD2 LYS 74 1HD LYS 74 6.823 12.108 7.568 541 HD3 LYS 74 2HD LYS 74 7.158 11.084 8.983 542 HE2 LYS 74 1HE LYS 74 9.533 11.423 8.764 543 HE3 LYS 74 2HE LYS 74 9.379 11.982 7.094 544 HZ1 LYS 74 3HZ LYS 74 8.402 13.988 7.825 545 HZ2 LYS 74 1HZ LYS 74 8.364 13.521 9.397 546 HZ3 LYS 74 2HZ LYS 74 9.809 13.787 8.668 547 H ASP 75 H ASP 75 9.654 6.389 8.110 548 HA ASP 75 HA ASP 75 12.348 6.745 7.185 549 HB2 ASP 75 1HB ASP 75 11.101 4.593 8.926 550 HB3 ASP 75 2HB ASP 75 12.837 4.752 8.652 551 H PHE 76 H PHE 76 9.703 4.678 6.189 552 HA PHE 76 HA PHE 76 11.361 2.774 4.696 553 HD1 PHE 76 HD1 PHE 76 10.542 0.326 4.508 554 HD2 PHE 76 HD2 PHE 76 7.745 2.588 2.077 555 HE1 PHE 76 HE1 PHE 76 10.131 -1.645 3.087 556 HE2 PHE 76 HE2 PHE 76 7.260 0.604 0.800 557 HZ PHE 76 HZ PHE 76 8.427 -1.529 1.272 558 HB2 PHE 76 1HB PHE 76 9.013 2.294 5.473 559 HB3 PHE 76 2HB PHE 76 8.414 3.429 4.294 560 H ALA 77 H ALA 77 9.119 5.449 3.747 561 HA ALA 77 HA ALA 77 9.814 5.585 1.064 562 HB1 ALA 77 1HB ALA 77 8.924 7.920 2.796 563 HB2 ALA 77 2HB ALA 77 8.669 7.711 1.052 564 HB3 ALA 77 3HB ALA 77 7.839 6.647 2.185 565 H MET 78 H MET 78 11.400 7.199 3.770 566 HA MET 78 HA MET 78 13.055 9.041 2.435 567 HB2 MET 78 1HB MET 78 13.448 7.487 5.002 568 HB3 MET 78 2HB MET 78 14.631 8.641 4.395 569 HG2 MET 78 1HG MET 78 12.122 9.977 4.232 570 HG3 MET 78 2HG MET 78 12.123 9.166 5.777 571 HE1 MET 78 3HE MET 78 12.036 12.385 5.625 572 HE2 MET 78 1HE MET 78 11.919 11.313 7.043 573 HE3 MET 78 2HE MET 78 13.078 12.664 7.044 574 H LYS 79 H LYS 79 13.580 5.559 2.980 575 HA LYS 79 HA LYS 79 16.279 5.711 1.752 576 HB2 LYS 79 1HB LYS 79 14.675 3.380 2.839 577 HB3 LYS 79 2HB LYS 79 16.370 3.291 2.356 578 HG2 LYS 79 1HG LYS 79 15.248 4.839 4.726 579 HG3 LYS 79 2HG LYS 79 16.232 3.387 4.749 580 HD2 LYS 79 1HD LYS 79 17.784 5.210 3.237 581 HD3 LYS 79 2HD LYS 79 17.016 6.236 4.444 582 HE2 LYS 79 1HE LYS 79 19.160 5.482 5.226 583 HE3 LYS 79 2HE LYS 79 17.913 4.731 6.228 584 HZ1 LYS 79 3HZ LYS 79 18.917 3.318 3.854 585 HZ2 LYS 79 1HZ LYS 79 19.844 3.356 5.201 586 HZ3 LYS 79 2HZ LYS 79 18.315 2.694 5.286 587 H HIS 80 H HIS 80 13.313 5.687 0.420 588 HA HIS 80 HA HIS 80 13.946 3.621 -1.664 589 HD1 HIS 80 HD1 HIS 80 10.454 1.703 -1.650 590 HD2 HIS 80 HD2 HIS 80 13.012 2.816 1.462 591 HE1 HIS 80 HE1 HIS 80 10.461 -0.279 0.096 592 HE2 HIS 80 HE2 HIS 80 12.089 0.485 1.978 593 HB2 HIS 80 1HB HIS 80 11.334 4.704 -0.541 594 HB3 HIS 80 2HB HIS 80 11.454 3.830 -2.056 595 H GLY 81 H GLY 81 12.433 6.870 -1.164 596 HA2 GLY 81 1HA GLY 81 13.631 8.330 -3.126 597 HA3 GLY 81 2HA GLY 81 12.446 7.351 -4.028 598 H ALA 82 H ALA 82 12.488 8.993 -0.794 599 HA ALA 82 HA ALA 82 10.739 11.014 -1.780 600 HB1 ALA 82 1HB ALA 82 9.106 9.286 -0.900 601 HB2 ALA 82 2HB ALA 82 9.963 9.379 0.665 602 HB3 ALA 82 3HB ALA 82 9.095 10.787 0.050 603 H ASP 83 H ASP 83 10.814 12.784 -0.307 604 HA ASP 83 HA ASP 83 12.878 12.775 1.883 605 HB2 ASP 83 1HB ASP 83 11.615 14.964 0.165 606 HB3 ASP 83 2HB ASP 83 12.435 15.329 1.650 607 H GLU 84 H GLU 84 12.026 14.550 3.504 608 HA GLU 84 HA GLU 84 9.533 14.023 4.787 609 HB2 GLU 84 1HB GLU 84 11.241 16.521 4.392 610 HB3 GLU 84 2HB GLU 84 9.768 16.569 5.344 611 HG2 GLU 84 1HG GLU 84 10.620 15.251 7.058 612 HG3 GLU 84 2HG GLU 84 11.899 14.559 6.040 613 H THR 85 H THR 85 10.317 16.094 2.030 614 HA THR 85 HA THR 85 7.847 17.421 1.852 615 HB THR 85 HB THR 85 9.816 16.766 -0.390 616 HG1 THR 85 1HG THR 85 11.144 18.051 0.509 617 HG21 THR 85 3HG2 THR 85 7.687 17.711 -1.167 618 HG22 THR 85 1HG2 THR 85 7.835 19.054 -0.007 619 HG23 THR 85 2HG2 THR 85 8.990 18.894 -1.348 620 H MET 86 H MET 86 9.048 14.949 -0.452 621 HA MET 86 HA MET 86 6.597 14.284 -1.595 622 HB2 MET 86 1HB MET 86 9.147 12.724 -1.148 623 HB3 MET 86 2HB MET 86 7.812 12.087 -2.119 624 HG2 MET 86 1HG MET 86 8.059 13.868 -3.723 625 HG3 MET 86 2HG MET 86 9.153 14.767 -2.668 626 HE1 MET 86 3HE MET 86 9.079 10.862 -3.585 627 HE2 MET 86 1HE MET 86 8.711 11.745 -5.096 628 HE3 MET 86 2HE MET 86 10.245 10.879 -4.924 629 H ALA 87 H ALA 87 8.188 12.688 1.286 630 HA ALA 87 HA ALA 87 6.223 10.652 1.555 631 HB1 ALA 87 1HB ALA 87 7.106 10.432 3.838 632 HB2 ALA 87 2HB ALA 87 8.448 10.627 2.698 633 HB3 ALA 87 3HB ALA 87 7.919 11.999 3.704 634 H GLN 88 H GLN 88 6.407 14.045 2.911 635 HA GLN 88 HA GLN 88 4.001 13.730 4.451 636 HB2 GLN 88 1HB GLN 88 5.475 15.482 5.022 637 HB3 GLN 88 2HB GLN 88 5.654 16.034 3.377 638 HG2 GLN 88 1HG GLN 88 4.423 17.693 4.469 639 HG3 GLN 88 2HG GLN 88 3.242 16.862 3.470 640 HE21 GLN 88 2HE2 GLN 88 1.813 15.227 4.605 641 HE22 GLN 88 1HE2 GLN 88 1.663 15.300 6.365 642 H GLN 89 H GLN 89 4.651 14.726 1.078 643 HA GLN 89 HA GLN 89 2.061 15.696 0.488 644 HB2 GLN 89 1HB GLN 89 3.953 14.302 -1.452 645 HB3 GLN 89 2HB GLN 89 2.611 15.336 -1.860 646 HG2 GLN 89 1HG GLN 89 4.309 16.817 -0.027 647 HG3 GLN 89 2HG GLN 89 5.302 16.039 -1.264 648 HE21 GLN 89 2HE2 GLN 89 4.104 16.208 -3.603 649 HE22 GLN 89 1HE2 GLN 89 3.669 17.844 -3.978 650 H LEU 90 H LEU 90 3.429 12.351 0.083 651 HA LEU 90 HA LEU 90 1.050 11.213 -0.953 652 HG LEU 90 HG LEU 90 4.358 11.042 -1.374 653 HB2 LEU 90 1HB LEU 90 3.387 9.958 0.551 654 HB3 LEU 90 2HB LEU 90 2.233 9.112 -0.458 655 HD11 LEU 90 1HD1 LEU 90 4.042 8.270 -2.409 656 HD12 LEU 90 2HD1 LEU 90 5.503 9.229 -2.175 657 HD13 LEU 90 3HD1 LEU 90 4.733 8.507 -0.779 658 HD21 LEU 90 3HD2 LEU 90 2.455 11.583 -2.713 659 HD22 LEU 90 1HD2 LEU 90 3.589 10.662 -3.677 660 HD23 LEU 90 2HD2 LEU 90 2.132 9.856 -3.039 661 H VAL 91 H VAL 91 2.375 11.462 2.430 662 HA VAL 91 HA VAL 91 0.157 10.042 3.476 663 HB VAL 91 HB VAL 91 2.478 11.356 4.555 664 HG11 VAL 91 1HG1 VAL 91 1.021 13.079 5.490 665 HG12 VAL 91 2HG1 VAL 91 -0.028 11.828 6.192 666 HG13 VAL 91 3HG1 VAL 91 1.650 12.004 6.751 667 HG21 VAL 91 3HG2 VAL 91 2.094 9.680 6.329 668 HG22 VAL 91 1HG2 VAL 91 0.464 9.368 5.695 669 HG23 VAL 91 2HG2 VAL 91 1.899 8.976 4.722 670 H ASP 92 H ASP 92 0.458 13.438 2.480 671 HA ASP 92 HA ASP 92 -1.983 14.276 3.735 672 HB2 ASP 92 1HB ASP 92 -0.102 15.771 2.876 673 HB3 ASP 92 2HB ASP 92 -0.759 15.522 1.249 674 H ILE 93 H ILE 93 -1.292 12.482 0.788 675 HA ILE 93 HA ILE 93 -3.892 12.818 -0.426 676 HB ILE 93 HB ILE 93 -1.933 10.508 -0.734 677 HG12 ILE 93 1HG1 ILE 93 -0.952 12.724 -1.434 678 HG13 ILE 93 2HG1 ILE 93 -0.972 11.457 -2.626 679 HG21 ILE 93 1HG2 ILE 93 -3.143 10.259 -2.970 680 HG22 ILE 93 2HG2 ILE 93 -4.030 9.782 -1.495 681 HG23 ILE 93 3HG2 ILE 93 -4.362 11.342 -2.258 682 HD11 ILE 93 3HD1 ILE 93 -3.033 13.705 -2.545 683 HD12 ILE 93 1HD1 ILE 93 -1.525 13.747 -3.489 684 HD13 ILE 93 2HD1 ILE 93 -2.740 12.521 -3.856 685 H ILE 94 H ILE 94 -2.520 10.404 1.870 686 HA ILE 94 HA ILE 94 -5.024 8.806 1.858 687 HB ILE 94 HB ILE 94 -2.747 7.754 2.084 688 HG12 ILE 94 1HG1 ILE 94 -3.723 6.292 4.118 689 HG13 ILE 94 2HG1 ILE 94 -5.203 7.185 3.724 690 HG21 ILE 94 1HG2 ILE 94 -1.717 9.222 3.685 691 HG22 ILE 94 2HG2 ILE 94 -2.851 8.711 4.941 692 HG23 ILE 94 3HG2 ILE 94 -1.708 7.548 4.242 693 HD11 ILE 94 3HD1 ILE 94 -5.046 5.043 2.539 694 HD12 ILE 94 1HD1 ILE 94 -4.913 6.360 1.343 695 HD13 ILE 94 2HD1 ILE 94 -3.467 5.465 1.869 696 H HIS 95 H HIS 95 -3.409 11.235 3.968 697 HA HIS 95 HA HIS 95 -5.529 11.114 5.894 698 HD1 HIS 95 HD1 HIS 95 -1.987 13.601 7.699 699 HD2 HIS 95 HD2 HIS 95 -3.802 9.904 6.665 700 HE1 HIS 95 HE1 HIS 95 -0.915 11.758 9.144 701 HE2 HIS 95 HE2 HIS 95 -1.964 9.496 8.361 702 HB2 HIS 95 1HB HIS 95 -3.560 13.329 5.204 703 HB3 HIS 95 2HB HIS 95 -4.728 13.432 6.523 704 H GLY 96 H GLY 96 -5.101 12.908 2.845 705 HA2 GLY 96 1HA GLY 96 -7.276 14.669 3.024 706 HA3 GLY 96 2HA GLY 96 -6.649 13.940 1.533 707 H CYS 97 H CYS 97 -7.173 11.318 1.664 708 HA CYS 97 HA CYS 97 -10.066 11.381 1.426 709 HB2 CYS 97 1HB CYS 97 -8.337 10.104 -0.081 710 HB3 CYS 97 2HB CYS 97 -8.577 8.817 1.079 711 H GLU 98 H GLU 98 -7.862 9.966 3.924 712 HA GLU 98 HA GLU 98 -9.818 8.214 4.912 713 HB2 GLU 98 1HB GLU 98 -8.452 7.666 6.640 714 HB3 GLU 98 2HB GLU 98 -7.389 8.076 5.308 715 HG2 GLU 98 1HG GLU 98 -6.232 9.116 6.841 716 HG3 GLU 98 2HG GLU 98 -7.344 10.418 6.426 717 H LYS 99 H LYS 99 -8.985 11.609 5.751 718 HA LYS 99 HA LYS 99 -11.036 11.869 7.773 719 HB2 LYS 99 1HB LYS 99 -9.351 13.851 6.188 720 HB3 LYS 99 2HB LYS 99 -10.736 14.409 7.100 721 HG2 LYS 99 1HG LYS 99 -9.113 14.767 8.624 722 HG3 LYS 99 2HG LYS 99 -9.684 13.179 9.137 723 HD2 LYS 99 1HD LYS 99 -7.793 12.167 7.806 724 HD3 LYS 99 2HD LYS 99 -7.193 13.798 7.475 725 HE2 LYS 99 1HE LYS 99 -7.621 12.622 10.256 726 HE3 LYS 99 2HE LYS 99 -6.077 12.590 9.406 727 HZ1 LYS 99 3HZ LYS 99 -6.023 14.973 9.410 728 HZ2 LYS 99 1HZ LYS 99 -7.514 15.080 10.111 729 HZ3 LYS 99 2HZ LYS 99 -6.259 14.434 10.947 730 H SER 100 H SER 100 -11.190 11.900 4.267 731 HA SER 100 HA SER 100 -13.888 13.158 4.370 732 HG SER 100 HG SER 100 -13.626 14.947 3.015 733 HB2 SER 100 1HB SER 100 -11.755 13.723 2.717 734 HB3 SER 100 2HB SER 100 -12.663 12.588 1.726 735 H ALA 101 H ALA 101 -12.766 10.144 4.848 736 HA ALA 101 HA ALA 101 -13.792 8.645 2.768 737 HB1 ALA 101 1HB ALA 101 -13.607 6.754 4.300 738 HB2 ALA 101 2HB ALA 101 -12.203 7.824 4.468 739 HB3 ALA 101 3HB ALA 101 -13.480 7.870 5.693 740 HA PRO 102 HA PRO 102 -18.102 9.162 3.549 741 HB2 PRO 102 1HB PRO 102 -19.215 7.212 1.981 742 HB3 PRO 102 2HB PRO 102 -18.378 8.654 1.339 743 HG2 PRO 102 1HG PRO 102 -17.260 5.872 1.677 744 HG3 PRO 102 2HG PRO 102 -17.110 6.963 0.267 745 HD2 PRO 102 1HD PRO 102 -15.165 6.702 2.183 746 HD3 PRO 102 2HD PRO 102 -15.438 8.224 1.296 747 HA PRO 103 HA PRO 103 -19.197 6.758 6.947 748 HB2 PRO 103 1HB PRO 103 -21.897 6.608 7.042 749 HB3 PRO 103 2HB PRO 103 -20.994 8.148 7.198 750 HG2 PRO 103 1HG PRO 103 -22.291 7.019 4.694 751 HG3 PRO 103 2HG PRO 103 -22.437 8.676 5.360 752 HD2 PRO 103 1HD PRO 103 -20.671 8.093 3.392 753 HD3 PRO 103 2HD PRO 103 -20.235 9.241 4.694 754 H ASN 104 H ASN 104 -18.157 4.933 6.180 755 HA ASN 104 HA ASN 104 -19.768 2.528 6.462 756 HB2 ASN 104 1HB ASN 104 -19.741 2.989 3.938 757 HB3 ASN 104 2HB ASN 104 -17.987 2.823 3.977 758 HD21 ASN 104 2HD2 ASN 104 -17.253 0.699 5.111 759 HD22 ASN 104 1HD2 ASN 104 -18.265 -0.733 4.871 760 H ASP 105 H ASP 105 -18.278 3.028 8.510 761 HA ASP 105 HA ASP 105 -15.418 2.562 8.100 762 HB2 ASP 105 1HB ASP 105 -15.059 2.888 10.297 763 HB3 ASP 105 2HB ASP 105 -16.506 3.850 10.080 764 H ASP 106 H ASP 106 -14.379 0.610 8.216 765 HA ASP 106 HA ASP 106 -15.637 -1.950 8.702 766 HB2 ASP 106 1HB ASP 106 -16.504 -1.107 6.328 767 HB3 ASP 106 2HB ASP 106 -14.834 -1.252 5.858 768 H LYS 107 H LYS 107 -13.848 -3.651 8.135 769 HA LYS 107 HA LYS 107 -11.213 -2.410 8.656 770 HB2 LYS 107 1HB LYS 107 -12.246 -5.250 8.568 771 HB3 LYS 107 2HB LYS 107 -10.512 -4.899 8.506 772 HG2 LYS 107 1HG LYS 107 -11.400 -3.305 10.598 773 HG3 LYS 107 2HG LYS 107 -12.398 -4.755 10.774 774 HD2 LYS 107 1HD LYS 107 -10.664 -5.688 11.881 775 HD3 LYS 107 2HD LYS 107 -9.768 -5.737 10.374 776 HE2 LYS 107 1HE LYS 107 -9.047 -3.357 10.813 777 HE3 LYS 107 2HE LYS 107 -9.834 -3.442 12.395 778 HZ1 LYS 107 3HZ LYS 107 -7.455 -3.858 12.464 779 HZ2 LYS 107 1HZ LYS 107 -8.255 -5.162 13.014 780 HZ3 LYS 107 2HZ LYS 107 -7.620 -5.160 11.482 781 H CYS 108 H CYS 108 -13.047 -3.716 5.941 782 HA CYS 108 HA CYS 108 -10.562 -3.503 4.313 783 HB2 CYS 108 1HB CYS 108 -12.878 -5.322 3.687 784 HB3 CYS 108 2HB CYS 108 -11.286 -5.281 2.977 785 H MET 109 H MET 109 -14.130 -3.013 4.306 786 HA MET 109 HA MET 109 -14.196 -2.045 1.659 787 HB2 MET 109 1HB MET 109 -16.080 -1.296 3.934 788 HB3 MET 109 2HB MET 109 -16.378 -0.984 2.240 789 HG2 MET 109 1HG MET 109 -16.258 -3.666 3.639 790 HG3 MET 109 2HG MET 109 -17.632 -2.908 2.838 791 HE1 MET 109 3HE MET 109 -15.667 -1.905 0.088 792 HE2 MET 109 1HE MET 109 -16.338 -3.172 -0.971 793 HE3 MET 109 2HE MET 109 -17.398 -2.249 0.153 794 H LYS 110 H LYS 110 -13.819 -0.299 4.737 795 HA LYS 110 HA LYS 110 -13.800 2.374 3.711 796 HB2 LYS 110 1HB LYS 110 -14.185 2.022 6.038 797 HB3 LYS 110 2HB LYS 110 -12.761 1.003 6.195 798 HG2 LYS 110 1HG LYS 110 -12.338 3.063 7.313 799 HG3 LYS 110 2HG LYS 110 -11.268 2.910 5.948 800 HD2 LYS 110 1HD LYS 110 -11.927 5.145 6.022 801 HD3 LYS 110 2HD LYS 110 -12.817 4.470 4.659 802 HE2 LYS 110 1HE LYS 110 -14.106 4.565 7.428 803 HE3 LYS 110 2HE LYS 110 -13.928 6.059 6.525 804 HZ1 LYS 110 3HZ LYS 110 -15.962 5.372 5.835 805 HZ2 LYS 110 1HZ LYS 110 -15.081 4.752 4.620 806 HZ3 LYS 110 2HZ LYS 110 -15.577 3.757 5.792 807 H THR 111 H THR 111 -11.118 0.012 4.378 808 HA THR 111 HA THR 111 -9.012 1.546 3.450 809 HB THR 111 HB THR 111 -9.403 -1.434 3.000 810 HG1 THR 111 1HG THR 111 -8.512 -0.147 5.368 811 HG21 THR 111 3HG2 THR 111 -7.366 -0.620 1.972 812 HG22 THR 111 1HG2 THR 111 -6.899 0.213 3.465 813 HG23 THR 111 2HG2 THR 111 -6.979 -1.570 3.417 814 H ILE 112 H ILE 112 -11.240 -0.555 1.451 815 HA ILE 112 HA ILE 112 -9.914 0.024 -0.966 816 HB ILE 112 HB ILE 112 -12.792 -0.753 -0.353 817 HG12 ILE 112 1HG1 ILE 112 -10.447 -2.247 -1.602 818 HG13 ILE 112 2HG1 ILE 112 -10.828 -2.286 0.098 819 HG21 ILE 112 1HG2 ILE 112 -13.059 -1.287 -2.794 820 HG22 ILE 112 2HG2 ILE 112 -12.944 0.433 -2.490 821 HG23 ILE 112 3HG2 ILE 112 -11.531 -0.424 -3.111 822 HD11 ILE 112 3HD1 ILE 112 -12.544 -3.387 -2.145 823 HD12 ILE 112 1HD1 ILE 112 -11.712 -4.251 -0.836 824 HD13 ILE 112 2HD1 ILE 112 -13.094 -3.206 -0.456 825 H ASP 113 H ASP 113 -12.445 1.875 0.740 826 HA ASP 113 HA ASP 113 -12.970 3.708 -1.350 827 HB2 ASP 113 1HB ASP 113 -13.554 3.512 1.516 828 HB3 ASP 113 2HB ASP 113 -13.176 5.174 1.083 829 H VAL 114 H VAL 114 -10.814 4.130 1.469 830 HA VAL 114 HA VAL 114 -9.681 6.642 0.623 831 HB VAL 114 HB VAL 114 -8.864 4.521 2.656 832 HG11 VAL 114 1HG1 VAL 114 -8.163 7.497 2.763 833 HG12 VAL 114 2HG1 VAL 114 -7.608 6.214 3.836 834 HG13 VAL 114 3HG1 VAL 114 -7.060 6.264 2.151 835 HG21 VAL 114 3HG2 VAL 114 -11.148 5.363 3.091 836 HG22 VAL 114 1HG2 VAL 114 -10.024 5.976 4.300 837 HG23 VAL 114 2HG2 VAL 114 -10.565 7.030 2.970 838 H ALA 115 H ALA 115 -8.624 3.191 0.184 839 HA ALA 115 HA ALA 115 -6.060 3.860 -0.921 840 HB1 ALA 115 1HB ALA 115 -6.589 1.616 0.002 841 HB2 ALA 115 2HB ALA 115 -7.746 1.339 -1.315 842 HB3 ALA 115 3HB ALA 115 -6.011 1.523 -1.673 843 H MET 116 H MET 116 -9.239 3.003 -2.502 844 HA MET 116 HA MET 116 -8.131 3.274 -5.149 845 HB2 MET 116 1HB MET 116 -10.194 2.815 -5.942 846 HB3 MET 116 2HB MET 116 -10.329 2.090 -4.360 847 HG2 MET 116 1HG MET 116 -12.263 3.286 -4.206 848 HG3 MET 116 2HG MET 116 -11.274 4.654 -3.851 849 HE1 MET 116 3HE MET 116 -13.447 3.531 -7.708 850 HE2 MET 116 1HE MET 116 -12.289 2.453 -6.888 851 HE3 MET 116 2HE MET 116 -13.751 2.981 -6.037 852 H CYS 117 H CYS 117 -9.470 5.524 -2.818 853 HA CYS 117 HA CYS 117 -9.657 7.837 -4.396 854 HB2 CYS 117 1HB CYS 117 -10.168 7.266 -1.818 855 HB3 CYS 117 2HB CYS 117 -8.573 7.936 -1.583 856 H PHE 118 H PHE 118 -6.944 6.472 -2.393 857 HA PHE 118 HA PHE 118 -5.049 8.370 -2.756 858 HD1 PHE 118 HD2 PHE 118 -2.192 6.144 -3.891 859 HD2 PHE 118 HD1 PHE 118 -3.484 7.567 -0.037 860 HE1 PHE 118 HE2 PHE 118 0.163 6.878 -3.316 861 HE2 PHE 118 HE1 PHE 118 -1.159 8.268 0.475 862 HZ PHE 118 HZ PHE 118 0.617 8.069 -1.308 863 HB2 PHE 118 1HB PHE 118 -4.947 6.250 -1.351 864 HB3 PHE 118 2HB PHE 118 -4.384 5.415 -2.792 865 H LYS 119 H LYS 119 -5.113 5.438 -4.904 866 HA LYS 119 HA LYS 119 -3.396 6.453 -6.809 867 HB2 LYS 119 1HB LYS 119 -4.236 4.156 -6.859 868 HB3 LYS 119 2HB LYS 119 -5.844 4.729 -7.363 869 HG2 LYS 119 1HG LYS 119 -4.927 5.600 -9.461 870 HG3 LYS 119 2HG LYS 119 -3.294 5.330 -8.900 871 HD2 LYS 119 1HD LYS 119 -3.992 3.675 -10.546 872 HD3 LYS 119 2HD LYS 119 -3.483 2.969 -9.030 873 HE2 LYS 119 1HE LYS 119 -5.410 1.765 -9.884 874 HE3 LYS 119 2HE LYS 119 -5.791 2.533 -8.352 875 HZ1 LYS 119 3HZ LYS 119 -7.429 2.596 -10.235 876 HZ2 LYS 119 1HZ LYS 119 -7.268 3.968 -9.397 877 HZ3 LYS 119 2HZ LYS 119 -6.581 3.797 -10.915 878 H LYS 120 H LYS 120 -6.976 7.119 -6.803 879 HA LYS 120 HA LYS 120 -7.033 8.603 -9.221 880 HB2 LYS 120 1HB LYS 120 -8.645 8.852 -6.638 881 HB3 LYS 120 2HB LYS 120 -8.999 9.712 -8.092 882 HG2 LYS 120 1HG LYS 120 -8.873 6.693 -8.149 883 HG3 LYS 120 2HG LYS 120 -10.283 7.539 -7.502 884 HD2 LYS 120 1HD LYS 120 -10.290 8.882 -9.690 885 HD3 LYS 120 2HD LYS 120 -9.148 7.666 -10.315 886 HE2 LYS 120 1HE LYS 120 -10.771 5.943 -10.209 887 HE3 LYS 120 2HE LYS 120 -11.708 6.783 -8.947 888 HZ1 LYS 120 3HZ LYS 120 -12.361 8.414 -10.601 889 HZ2 LYS 120 1HZ LYS 120 -11.539 7.578 -11.767 890 HZ3 LYS 120 2HZ LYS 120 -12.835 6.892 -11.052 891 H GLU 121 H GLU 121 -6.209 9.573 -5.865 892 HA GLU 121 HA GLU 121 -6.122 12.398 -6.420 893 HB2 GLU 121 1HB GLU 121 -5.210 10.603 -4.158 894 HB3 GLU 121 2HB GLU 121 -5.050 12.358 -4.114 895 HG2 GLU 121 1HG GLU 121 -7.729 10.960 -4.376 896 HG3 GLU 121 2HG GLU 121 -6.987 11.343 -2.832 897 H ILE 122 H ILE 122 -3.715 9.698 -6.700 898 HA ILE 122 HA ILE 122 -1.515 11.352 -6.314 899 HB ILE 122 HB ILE 122 -1.916 8.816 -7.998 900 HG12 ILE 122 1HG1 ILE 122 -0.678 9.197 -5.244 901 HG13 ILE 122 2HG1 ILE 122 -2.185 8.433 -5.610 902 HG21 ILE 122 1HG2 ILE 122 0.811 9.866 -7.190 903 HG22 ILE 122 2HG2 ILE 122 0.417 8.448 -8.205 904 HG23 ILE 122 3HG2 ILE 122 0.124 10.043 -8.827 905 HD11 ILE 122 3HD1 ILE 122 -0.631 6.674 -5.209 906 HD12 ILE 122 1HD1 ILE 122 -1.000 6.669 -6.936 907 HD13 ILE 122 2HD1 ILE 122 0.545 7.336 -6.287 908 H HIS 123 H HIS 123 -3.675 11.101 -9.107 909 HA HIS 123 HA HIS 123 -2.024 12.110 -11.085 910 HD1 HIS 123 HD1 HIS 123 -3.258 11.749 -13.937 911 HD2 HIS 123 HD2 HIS 123 -4.673 9.499 -10.643 912 HE1 HIS 123 HE1 HIS 123 -3.113 9.259 -14.600 913 HE2 HIS 123 HE2 HIS 123 -3.929 7.910 -12.574 914 HB2 HIS 123 1HB HIS 123 -4.993 12.256 -10.553 915 HB3 HIS 123 2HB HIS 123 -4.305 13.153 -11.892 916 H LYS 124 H LYS 124 -3.203 13.779 -8.231 917 HA LYS 124 HA LYS 124 -3.280 16.468 -9.242 918 HB2 LYS 124 1HB LYS 124 -2.791 15.368 -6.422 919 HB3 LYS 124 2HB LYS 124 -3.272 17.014 -6.835 920 HG2 LYS 124 1HG LYS 124 -5.355 16.213 -7.817 921 HG3 LYS 124 2HG LYS 124 -4.922 14.540 -7.460 922 HD2 LYS 124 1HD LYS 124 -5.152 14.756 -5.168 923 HD3 LYS 124 2HD LYS 124 -5.053 16.542 -5.215 924 HE2 LYS 124 1HE LYS 124 -7.174 16.544 -6.647 925 HE3 LYS 124 2HE LYS 124 -7.363 14.828 -6.253 926 HZ1 LYS 124 3HZ LYS 124 -7.504 15.446 -3.949 927 HZ2 LYS 124 1HZ LYS 124 -7.386 17.061 -4.319 928 HZ3 LYS 124 2HZ LYS 124 -8.681 16.163 -4.801 929 H LEU 125 H LEU 125 -0.794 14.322 -7.969 930 HA LEU 125 HA LEU 125 1.110 16.351 -7.280 931 HG LEU 125 HG LEU 125 -0.285 14.129 -5.882 932 HB2 LEU 125 1HB LEU 125 1.418 13.366 -7.794 933 HB3 LEU 125 2HB LEU 125 2.544 14.378 -6.935 934 HD11 LEU 125 1HD1 LEU 125 0.523 12.244 -4.550 935 HD12 LEU 125 2HD1 LEU 125 0.504 11.922 -6.281 936 HD13 LEU 125 3HD1 LEU 125 2.072 12.277 -5.490 937 HD21 LEU 125 3HD2 LEU 125 0.808 14.617 -3.758 938 HD22 LEU 125 1HD2 LEU 125 2.409 14.612 -4.529 939 HD23 LEU 125 2HD2 LEU 125 1.226 15.867 -4.943 940 H ASN 126 H ASN 126 0.542 14.373 -10.135 941 HA ASN 126 HA ASN 126 1.212 14.626 -12.296 942 HB2 ASN 126 1HB ASN 126 3.215 16.775 -11.483 943 HB3 ASN 126 2HB ASN 126 2.834 16.257 -13.104 944 HD21 ASN 126 2HD2 ASN 126 0.140 16.519 -10.839 945 HD22 ASN 126 1HD2 ASN 126 -0.204 18.129 -11.206 946 H TRP 127 H TRP 127 3.369 14.072 -9.786 947 HA TRP 127 HA TRP 127 5.067 12.301 -11.487 948 HD1 TRP 127 HD1 TRP 127 4.691 15.072 -8.120 949 HE1 TRP 127 HE1 TRP 127 4.659 14.922 -5.681 950 HE3 TRP 127 HE3 TRP 127 6.307 10.244 -7.709 951 HZ2 TRP 127 HZ2 TRP 127 5.418 12.989 -3.629 952 HZ3 TRP 127 HZ3 TRP 127 6.816 9.318 -5.437 953 HH2 TRP 127 HH2 TRP 127 6.401 10.679 -3.416 954 HB2 TRP 127 1HB TRP 127 6.508 12.017 -9.591 955 HB3 TRP 127 2HB TRP 127 6.279 13.711 -9.912 956 H VAL 128 H VAL 128 5.498 10.164 -10.122 957 HA VAL 128 HA VAL 128 3.083 9.077 -8.899 958 HB VAL 128 HB VAL 128 2.856 8.830 -11.198 959 HG11 VAL 128 1HG1 VAL 128 5.090 8.569 -11.963 960 HG12 VAL 128 2HG1 VAL 128 5.233 7.012 -11.134 961 HG13 VAL 128 3HG1 VAL 128 4.117 7.169 -12.499 962 HG21 VAL 128 3HG2 VAL 128 1.746 7.238 -9.659 963 HG22 VAL 128 1HG2 VAL 128 2.168 6.431 -11.178 964 HG23 VAL 128 2HG2 VAL 128 3.155 6.166 -9.735 965 HA PRO 129 HA PRO 129 6.442 7.373 -6.424 966 HB2 PRO 129 1HB PRO 129 4.420 5.911 -4.890 967 HB3 PRO 129 2HB PRO 129 5.490 7.239 -4.390 968 HG2 PRO 129 1HG PRO 129 2.754 7.553 -4.670 969 HG3 PRO 129 2HG PRO 129 3.990 8.865 -4.902 970 HD2 PRO 129 1HD PRO 129 2.620 7.168 -6.994 971 HD3 PRO 129 2HD PRO 129 2.947 8.934 -6.932 972 H ASN 130 H ASN 130 7.085 5.254 -5.632 973 HA ASN 130 HA ASN 130 7.169 3.248 -7.738 974 HB2 ASN 130 1HB ASN 130 8.074 3.143 -4.841 975 HB3 ASN 130 2HB ASN 130 8.618 2.057 -6.139 976 HD21 ASN 130 2HD2 ASN 130 10.018 3.900 -4.268 977 HD22 ASN 130 1HD2 ASN 130 11.055 4.923 -5.279 978 H MET 131 H MET 131 6.869 0.882 -7.014 979 HA MET 131 HA MET 131 4.265 0.203 -6.137 980 HB2 MET 131 1HB MET 131 6.902 -1.353 -6.023 981 HB3 MET 131 2HB MET 131 5.335 -2.064 -5.653 982 HG2 MET 131 1HG MET 131 6.156 -0.827 -8.299 983 HG3 MET 131 2HG MET 131 6.014 -2.550 -7.960 984 HE1 MET 131 3HE MET 131 2.203 -3.095 -7.649 985 HE2 MET 131 1HE MET 131 3.793 -3.831 -7.686 986 HE3 MET 131 2HE MET 131 3.315 -2.797 -6.306 987 H ASP 132 H ASP 132 7.333 0.064 -4.255 988 HA ASP 132 HA ASP 132 6.434 -0.504 -1.687 989 HB2 ASP 132 1HB ASP 132 8.353 1.280 -1.178 990 HB3 ASP 132 2HB ASP 132 8.734 -0.322 -1.614 991 H LEU 133 H LEU 133 6.855 2.691 -3.237 992 HA LEU 133 HA LEU 133 6.131 4.040 -0.899 993 HG LEU 133 HG LEU 133 8.330 4.590 -2.604 994 HB2 LEU 133 1HB LEU 133 6.093 4.920 -3.769 995 HB3 LEU 133 2HB LEU 133 5.646 6.016 -2.451 996 HD11 LEU 133 1HD1 LEU 133 7.689 7.461 -3.408 997 HD12 LEU 133 2HD1 LEU 133 9.283 6.686 -3.389 998 HD13 LEU 133 3HD1 LEU 133 8.079 6.136 -4.535 999 HD21 LEU 133 3HD2 LEU 133 9.033 6.386 -1.017 1000 HD22 LEU 133 1HD2 LEU 133 7.353 6.960 -0.950 1001 HD23 LEU 133 2HD2 LEU 133 7.763 5.353 -0.329 1002 H VAL 134 H VAL 134 4.032 3.406 -3.802 1003 HA VAL 134 HA VAL 134 1.714 4.627 -2.706 1004 HB VAL 134 HB VAL 134 1.861 2.382 -4.759 1005 HG11 VAL 134 1HG1 VAL 134 -0.307 4.435 -4.133 1006 HG12 VAL 134 2HG1 VAL 134 -0.319 3.334 -5.524 1007 HG13 VAL 134 3HG1 VAL 134 -0.417 2.684 -3.885 1008 HG21 VAL 134 3HG2 VAL 134 1.603 4.261 -6.422 1009 HG22 VAL 134 1HG2 VAL 134 1.852 5.416 -5.100 1010 HG23 VAL 134 2HG2 VAL 134 3.140 4.288 -5.594 1011 H ILE 135 H ILE 135 2.946 1.300 -2.356 1012 HA ILE 135 HA ILE 135 0.569 0.337 -1.009 1013 HB ILE 135 HB ILE 135 3.383 -0.733 -1.435 1014 HG12 ILE 135 1HG1 ILE 135 0.707 -1.724 -2.502 1015 HG13 ILE 135 2HG1 ILE 135 1.700 -0.570 -3.377 1016 HG21 ILE 135 1HG2 ILE 135 2.776 -1.777 0.591 1017 HG22 ILE 135 2HG2 ILE 135 1.066 -1.931 0.111 1018 HG23 ILE 135 3HG2 ILE 135 2.298 -2.951 -0.620 1019 HD11 ILE 135 3HD1 ILE 135 3.571 -2.247 -3.430 1020 HD12 ILE 135 1HD1 ILE 135 2.444 -3.441 -2.748 1021 HD13 ILE 135 2HD1 ILE 135 2.106 -2.717 -4.319 1022 H GLY 136 H GLY 136 3.901 1.063 0.113 1023 HA2 GLY 136 1HA GLY 136 3.745 0.872 2.798 1024 HA3 GLY 136 2HA GLY 136 4.677 2.126 1.972 1025 H GLU 137 H GLU 137 2.427 3.723 0.978 1026 HA GLU 137 HA GLU 137 1.924 5.277 3.316 1027 HB2 GLU 137 1HB GLU 137 1.393 5.481 0.472 1028 HB3 GLU 137 2HB GLU 137 -0.077 5.862 1.335 1029 HG2 GLU 137 1HG GLU 137 1.169 7.886 0.958 1030 HG3 GLU 137 2HG GLU 137 1.037 7.584 2.658 1031 H VAL 138 H VAL 138 -0.453 3.272 1.380 1032 HA VAL 138 HA VAL 138 -2.491 3.548 3.218 1033 HB VAL 138 HB VAL 138 -2.530 2.716 0.838 1034 HG11 VAL 138 1HG1 VAL 138 -2.806 0.290 0.453 1035 HG12 VAL 138 2HG1 VAL 138 -1.175 0.901 0.555 1036 HG13 VAL 138 3HG1 VAL 138 -1.876 0.014 1.941 1037 HG21 VAL 138 3HG2 VAL 138 -4.448 2.879 2.317 1038 HG22 VAL 138 1HG2 VAL 138 -4.617 1.523 1.205 1039 HG23 VAL 138 2HG2 VAL 138 -4.160 1.227 2.911 1040 H LEU 139 H LEU 139 -0.230 0.826 3.015 1041 HA LEU 139 HA LEU 139 -0.694 -0.631 5.249 1042 HG LEU 139 HG LEU 139 0.711 -2.433 4.800 1043 HB2 LEU 139 1HB LEU 139 1.773 0.160 3.725 1044 HB3 LEU 139 2HB LEU 139 2.039 -0.534 5.313 1045 HD11 LEU 139 1HD1 LEU 139 0.052 -3.023 2.472 1046 HD12 LEU 139 2HD1 LEU 139 -0.934 -1.788 3.271 1047 HD13 LEU 139 3HD1 LEU 139 0.274 -1.299 2.065 1048 HD21 LEU 139 3HD2 LEU 139 3.096 -2.571 4.419 1049 HD22 LEU 139 1HD2 LEU 139 2.354 -3.423 3.058 1050 HD23 LEU 139 2HD2 LEU 139 2.957 -1.772 2.848 1051 H ALA 140 H ALA 140 1.146 2.440 5.310 1052 HA ALA 140 HA ALA 140 1.733 2.286 8.124 1053 HB1 ALA 140 1HB ALA 140 2.986 3.763 6.662 1054 HB2 ALA 140 2HB ALA 140 1.517 4.656 6.213 1055 HB3 ALA 140 3HB ALA 140 2.132 4.754 7.869 1056 H GLU 141 H GLU 141 -0.907 3.854 6.253 1057 HA GLU 141 HA GLU 141 -2.016 5.124 8.565 1058 HB2 GLU 141 1HB GLU 141 -2.111 5.561 5.924 1059 HB3 GLU 141 2HB GLU 141 -3.569 4.620 6.006 1060 HG2 GLU 141 1HG GLU 141 -3.970 7.116 6.125 1061 HG3 GLU 141 2HG GLU 141 -4.607 6.214 7.511 1062 H VAL 142 H VAL 142 -2.866 2.290 6.730 1063 HA VAL 142 HA VAL 142 -5.357 1.721 7.969 1064 HB VAL 142 HB VAL 142 -4.313 1.114 5.612 1065 HG11 VAL 142 1HG1 VAL 142 -3.768 -1.467 7.003 1066 HG12 VAL 142 2HG1 VAL 142 -3.521 -1.044 5.285 1067 HG13 VAL 142 3HG1 VAL 142 -2.538 -0.258 6.538 1068 HG21 VAL 142 3HG2 VAL 142 -6.649 0.742 6.130 1069 HG22 VAL 142 1HG2 VAL 142 -5.985 -0.729 5.372 1070 HG23 VAL 142 2HG2 VAL 142 -6.262 -0.680 7.119 Start of MODEL 13 1 HA SER 1 HA SER 1 27.165 -4.223 -12.740 2 HG SER 1 HG SER 1 28.849 -7.509 -12.704 3 H1 SER 1 H SER 1 28.810 -4.778 -10.958 4 HB2 SER 1 1HB SER 1 26.734 -7.073 -12.019 5 HB3 SER 1 2HB SER 1 27.074 -6.342 -13.584 6 HA PRO 2 HA PRO 2 23.094 -3.678 -11.386 7 HB2 PRO 2 1HB PRO 2 21.605 -3.961 -13.639 8 HB3 PRO 2 2HB PRO 2 22.814 -2.665 -13.374 9 HG2 PRO 2 1HG PRO 2 23.086 -5.198 -14.988 10 HG3 PRO 2 2HG PRO 2 23.678 -3.559 -15.396 11 HD2 PRO 2 1HD PRO 2 25.220 -5.593 -14.234 12 HD3 PRO 2 2HD PRO 2 25.619 -3.875 -14.115 13 H GLU 3 H GLU 3 23.188 -5.403 -9.959 14 HA GLU 3 HA GLU 3 22.797 -8.085 -10.588 15 HB2 GLU 3 1HB GLU 3 23.203 -6.410 -8.222 16 HB3 GLU 3 2HB GLU 3 21.974 -7.600 -7.875 17 HG2 GLU 3 1HG GLU 3 23.972 -8.629 -7.259 18 HG3 GLU 3 2HG GLU 3 23.588 -9.375 -8.806 19 H ILE 4 H ILE 4 20.521 -5.616 -9.819 20 HA ILE 4 HA ILE 4 18.455 -5.528 -8.986 21 HB ILE 4 HB ILE 4 16.731 -6.159 -10.609 22 HG12 ILE 4 1HG1 ILE 4 18.907 -6.890 -12.595 23 HG13 ILE 4 2HG1 ILE 4 18.304 -8.125 -11.514 24 HG21 ILE 4 1HG2 ILE 4 17.970 -4.004 -10.633 25 HG22 ILE 4 2HG2 ILE 4 19.193 -4.722 -11.706 26 HG23 ILE 4 3HG2 ILE 4 17.526 -4.509 -12.268 27 HD11 ILE 4 3HD1 ILE 4 16.540 -6.445 -13.326 28 HD12 ILE 4 1HD1 ILE 4 17.064 -8.106 -13.660 29 HD13 ILE 4 2HD1 ILE 4 15.998 -7.772 -12.276 30 H MET 5 H MET 5 19.788 -7.175 -7.582 31 HA MET 5 HA MET 5 18.229 -9.611 -7.029 32 HB2 MET 5 1HB MET 5 20.647 -8.275 -5.726 33 HB3 MET 5 2HB MET 5 19.925 -9.761 -5.096 34 HG2 MET 5 1HG MET 5 20.808 -9.547 -7.989 35 HG3 MET 5 2HG MET 5 21.946 -9.960 -6.707 36 HE1 MET 5 3HE MET 5 22.283 -11.910 -8.593 37 HE2 MET 5 1HE MET 5 21.168 -13.283 -8.746 38 HE3 MET 5 2HE MET 5 20.748 -11.715 -9.472 39 H LYS 6 H LYS 6 17.341 -9.930 -4.848 40 HA LYS 6 HA LYS 6 15.777 -9.293 -3.241 41 HB2 LYS 6 1HB LYS 6 18.506 -8.321 -2.332 42 HB3 LYS 6 2HB LYS 6 17.129 -8.653 -1.273 43 HG2 LYS 6 1HG LYS 6 17.079 -11.027 -2.127 44 HG3 LYS 6 2HG LYS 6 18.573 -10.686 -3.041 45 HD2 LYS 6 1HD LYS 6 19.751 -10.120 -0.994 46 HD3 LYS 6 2HD LYS 6 18.261 -10.341 -0.044 47 HE2 LYS 6 1HE LYS 6 18.358 -12.775 -1.105 48 HE3 LYS 6 2HE LYS 6 20.066 -12.379 -1.363 49 HZ1 LYS 6 3HZ LYS 6 19.876 -13.381 0.779 50 HZ2 LYS 6 1HZ LYS 6 20.055 -11.767 1.078 51 HZ3 LYS 6 2HZ LYS 6 18.583 -12.461 1.183 52 H ASN 7 H ASN 7 14.483 -7.786 -4.365 53 HA ASN 7 HA ASN 7 15.036 -4.947 -3.852 54 HB2 ASN 7 1HB ASN 7 13.607 -4.592 -6.031 55 HB3 ASN 7 2HB ASN 7 15.328 -4.825 -6.037 56 HD21 ASN 7 2HD2 ASN 7 16.221 -6.735 -6.680 57 HD22 ASN 7 1HD2 ASN 7 15.368 -7.853 -7.712 58 H LEU 8 H LEU 8 13.810 -6.314 -1.971 59 HA LEU 8 HA LEU 8 12.088 -6.816 -0.718 60 HG LEU 8 HG LEU 8 9.875 -4.624 -2.368 61 HB2 LEU 8 1HB LEU 8 11.016 -5.213 0.132 62 HB3 LEU 8 2HB LEU 8 12.317 -4.353 -0.633 63 HD11 LEU 8 1HD1 LEU 8 8.528 -3.029 -1.010 64 HD12 LEU 8 2HD1 LEU 8 8.844 -4.600 -0.218 65 HD13 LEU 8 3HD1 LEU 8 9.756 -3.190 0.295 66 HD21 LEU 8 3HD2 LEU 8 11.771 -2.400 -1.549 67 HD22 LEU 8 1HD2 LEU 8 11.640 -3.194 -3.100 68 HD23 LEU 8 2HD2 LEU 8 10.318 -2.187 -2.575 69 H SER 9 H SER 9 11.419 -7.016 -3.887 70 HA SER 9 HA SER 9 8.766 -7.728 -4.183 71 HG SER 9 HG SER 9 9.235 -9.839 -6.478 72 HB2 SER 9 1HB SER 9 9.893 -7.858 -6.168 73 HB3 SER 9 2HB SER 9 11.368 -8.451 -5.422 74 H ASN 10 H ASN 10 11.385 -9.908 -3.093 75 HA ASN 10 HA ASN 10 9.872 -12.181 -2.556 76 HB2 ASN 10 1HB ASN 10 12.139 -11.280 -0.709 77 HB3 ASN 10 2HB ASN 10 11.626 -12.927 -1.067 78 HD21 ASN 10 2HD2 ASN 10 13.699 -10.265 -1.989 79 HD22 ASN 10 1HD2 ASN 10 14.289 -10.988 -3.465 80 H ASN 11 H ASN 11 10.488 -9.397 -0.459 81 HA ASN 11 HA ASN 11 9.366 -10.639 1.910 82 HB2 ASN 11 1HB ASN 11 10.260 -7.779 1.365 83 HB3 ASN 11 2HB ASN 11 9.823 -8.455 2.931 84 HD21 ASN 11 2HD2 ASN 11 12.588 -7.932 0.885 85 HD22 ASN 11 1HD2 ASN 11 13.579 -9.090 1.725 86 H PHE 12 H PHE 12 8.398 -8.035 -0.343 87 HA PHE 12 HA PHE 12 5.916 -7.416 0.615 88 HD1 PHE 12 HD1 PHE 12 4.048 -6.451 -0.160 89 HD2 PHE 12 HD2 PHE 12 7.285 -4.787 -2.465 90 HE1 PHE 12 HE1 PHE 12 3.204 -4.177 0.297 91 HE2 PHE 12 HE2 PHE 12 6.396 -2.504 -2.084 92 HZ PHE 12 HZ PHE 12 4.411 -2.162 -0.670 93 HB2 PHE 12 1HB PHE 12 7.349 -7.043 -1.850 94 HB3 PHE 12 2HB PHE 12 5.786 -7.652 -2.300 95 H GLY 13 H GLY 13 6.730 -9.984 -1.784 96 HA2 GLY 13 1HA GLY 13 4.070 -11.036 -1.855 97 HA3 GLY 13 2HA GLY 13 5.530 -11.747 -2.541 98 H LYS 14 H LYS 14 6.637 -11.556 0.590 99 HA LYS 14 HA LYS 14 5.842 -14.290 1.181 100 HB2 LYS 14 1HB LYS 14 8.138 -13.830 1.602 101 HB3 LYS 14 2HB LYS 14 7.799 -12.195 2.189 102 HG2 LYS 14 1HG LYS 14 6.720 -13.099 4.111 103 HG3 LYS 14 2HG LYS 14 7.154 -14.761 3.645 104 HD2 LYS 14 1HD LYS 14 9.574 -14.051 3.739 105 HD3 LYS 14 2HD LYS 14 9.022 -12.453 4.335 106 HE2 LYS 14 1HE LYS 14 7.663 -13.854 6.099 107 HE3 LYS 14 2HE LYS 14 8.751 -15.172 5.680 108 HZ1 LYS 14 3HZ LYS 14 9.638 -12.519 6.683 109 HZ2 LYS 14 1HZ LYS 14 9.442 -13.840 7.598 110 HZ3 LYS 14 2HZ LYS 14 10.593 -13.831 6.420 111 H ALA 15 H ALA 15 5.503 -10.921 2.444 112 HA ALA 15 HA ALA 15 3.642 -11.627 4.503 113 HB1 ALA 15 1HB ALA 15 4.076 -8.990 3.003 114 HB2 ALA 15 2HB ALA 15 3.226 -9.178 4.559 115 HB3 ALA 15 3HB ALA 15 4.953 -9.498 4.435 116 H MET 16 H MET 16 3.137 -10.732 1.022 117 HA MET 16 HA MET 16 0.314 -10.733 1.155 118 HB2 MET 16 1HB MET 16 1.936 -10.000 -0.779 119 HB3 MET 16 2HB MET 16 1.835 -11.684 -1.301 120 HG2 MET 16 1HG MET 16 -0.487 -9.792 -0.837 121 HG3 MET 16 2HG MET 16 0.196 -10.152 -2.417 122 HE1 MET 16 3HE MET 16 -3.573 -11.842 -1.856 123 HE2 MET 16 1HE MET 16 -2.890 -10.304 -1.292 124 HE3 MET 16 2HE MET 16 -2.731 -10.732 -2.999 125 H ASP 17 H ASP 17 2.692 -13.381 0.559 126 HA ASP 17 HA ASP 17 0.832 -15.481 0.164 127 HB2 ASP 17 1HB ASP 17 3.174 -15.691 -0.399 128 HB3 ASP 17 2HB ASP 17 3.674 -15.438 1.253 129 H GLN 18 H GLN 18 2.236 -14.222 3.202 130 HA GLN 18 HA GLN 18 0.941 -16.065 4.948 131 HB2 GLN 18 1HB GLN 18 2.007 -13.275 5.374 132 HB3 GLN 18 2HB GLN 18 1.187 -14.207 6.628 133 HG2 GLN 18 1HG GLN 18 2.646 -16.080 6.431 134 HG3 GLN 18 2HG GLN 18 3.397 -15.431 4.979 135 HE21 GLN 18 2HE2 GLN 18 5.392 -15.546 5.800 136 HE22 GLN 18 1HE2 GLN 18 5.848 -14.749 7.286 137 H CYS 19 H CYS 19 -0.288 -13.154 3.277 138 HA CYS 19 HA CYS 19 -2.643 -12.965 4.961 139 HB2 CYS 19 1HB CYS 19 -1.813 -11.582 2.393 140 HB3 CYS 19 2HB CYS 19 -3.240 -11.172 3.340 141 H LYS 20 H LYS 20 -1.825 -13.920 1.626 142 HA LYS 20 HA LYS 20 -4.277 -15.057 0.759 143 HB2 LYS 20 1HB LYS 20 -2.347 -14.461 -0.656 144 HB3 LYS 20 2HB LYS 20 -1.349 -15.607 0.210 145 HG2 LYS 20 1HG LYS 20 -2.877 -17.442 -0.750 146 HG3 LYS 20 2HG LYS 20 -3.579 -16.184 -1.750 147 HD2 LYS 20 1HD LYS 20 -1.871 -17.173 -3.069 148 HD3 LYS 20 2HD LYS 20 -1.109 -15.687 -2.446 149 HE2 LYS 20 1HE LYS 20 -0.170 -17.092 -0.530 150 HE3 LYS 20 2HE LYS 20 -0.834 -18.523 -1.289 151 HZ1 LYS 20 3HZ LYS 20 1.112 -16.743 -2.618 152 HZ2 LYS 20 1HZ LYS 20 1.530 -18.059 -1.706 153 HZ3 LYS 20 2HZ LYS 20 0.643 -18.242 -3.107 154 H ASP 21 H ASP 21 -2.272 -15.976 3.268 155 HA ASP 21 HA ASP 21 -3.207 -18.764 3.312 156 HB2 ASP 21 1HB ASP 21 -0.750 -18.542 3.445 157 HB3 ASP 21 2HB ASP 21 -0.922 -17.372 4.762 158 H GLU 22 H GLU 22 -2.728 -16.183 5.765 159 HA GLU 22 HA GLU 22 -4.357 -17.582 7.627 160 HB2 GLU 22 1HB GLU 22 -3.488 -14.665 7.330 161 HB3 GLU 22 2HB GLU 22 -4.433 -15.272 8.718 162 HG2 GLU 22 1HG GLU 22 -2.611 -16.934 9.106 163 HG3 GLU 22 2HG GLU 22 -1.655 -16.180 7.850 164 H LEU 23 H LEU 23 -4.938 -15.248 5.068 165 HA LEU 23 HA LEU 23 -7.743 -15.078 5.807 166 HG LEU 23 HG LEU 23 -7.291 -13.047 6.462 167 HB2 LEU 23 1HB LEU 23 -6.374 -13.544 3.631 168 HB3 LEU 23 2HB LEU 23 -8.036 -13.432 4.166 169 HD11 LEU 23 1HD1 LEU 23 -5.194 -11.843 6.892 170 HD12 LEU 23 2HD1 LEU 23 -5.208 -13.586 6.724 171 HD13 LEU 23 3HD1 LEU 23 -4.610 -12.562 5.372 172 HD21 LEU 23 3HD2 LEU 23 -8.153 -11.264 4.907 173 HD22 LEU 23 1HD2 LEU 23 -6.931 -10.571 5.990 174 HD23 LEU 23 2HD2 LEU 23 -6.482 -11.020 4.325 175 H SER 24 H SER 24 -5.766 -16.778 3.536 176 HA SER 24 HA SER 24 -6.205 -18.279 1.948 177 HG SER 24 HG SER 24 -7.024 -20.264 2.885 178 HB2 SER 24 1HB SER 24 -8.215 -18.602 3.796 179 HB3 SER 24 2HB SER 24 -9.147 -18.439 2.319 180 H LEU 25 H LEU 25 -6.066 -15.548 1.053 181 HA LEU 25 HA LEU 25 -8.395 -14.792 -0.411 182 HG LEU 25 HG LEU 25 -6.012 -12.663 1.243 183 HB2 LEU 25 1HB LEU 25 -5.509 -13.770 -0.673 184 HB3 LEU 25 2HB LEU 25 -6.877 -13.127 -1.503 185 HD11 LEU 25 1HD1 LEU 25 -7.243 -10.627 0.899 186 HD12 LEU 25 2HD1 LEU 25 -6.724 -11.049 -0.747 187 HD13 LEU 25 3HD1 LEU 25 -8.367 -11.416 -0.218 188 HD21 LEU 25 3HD2 LEU 25 -7.894 -14.050 1.993 189 HD22 LEU 25 1HD2 LEU 25 -8.254 -12.324 2.243 190 HD23 LEU 25 2HD2 LEU 25 -8.996 -13.236 0.906 191 HA PRO 26 HA PRO 26 -8.068 -17.492 -3.767 192 HB2 PRO 26 1HB PRO 26 -9.581 -16.261 -5.699 193 HB3 PRO 26 2HB PRO 26 -10.269 -16.997 -4.239 194 HG2 PRO 26 1HG PRO 26 -9.575 -14.119 -4.730 195 HG3 PRO 26 2HG PRO 26 -11.101 -14.747 -4.026 196 HD2 PRO 26 1HD PRO 26 -9.026 -13.731 -2.537 197 HD3 PRO 26 2HD PRO 26 -10.041 -15.063 -1.945 198 H ASP 27 H ASP 27 -7.000 -17.801 -5.676 199 HA ASP 27 HA ASP 27 -4.634 -16.450 -6.269 200 HB2 ASP 27 1HB ASP 27 -5.265 -18.720 -6.948 201 HB3 ASP 27 2HB ASP 27 -6.467 -18.092 -8.056 202 H SER 28 H SER 28 -7.864 -15.694 -7.361 203 HA SER 28 HA SER 28 -7.152 -14.147 -9.703 204 HG SER 28 HG SER 28 -10.833 -14.712 -8.167 205 HB2 SER 28 1HB SER 28 -9.646 -13.600 -9.528 206 HB3 SER 28 2HB SER 28 -9.216 -15.285 -9.863 207 H VAL 29 H VAL 29 -8.475 -13.531 -6.399 208 HA VAL 29 HA VAL 29 -8.230 -10.672 -6.766 209 HB VAL 29 HB VAL 29 -8.632 -12.124 -4.119 210 HG11 VAL 29 1HG1 VAL 29 -7.893 -9.893 -3.638 211 HG12 VAL 29 2HG1 VAL 29 -8.709 -9.216 -5.056 212 HG13 VAL 29 3HG1 VAL 29 -9.657 -9.713 -3.675 213 HG21 VAL 29 3HG2 VAL 29 -10.963 -11.687 -4.339 214 HG22 VAL 29 1HG2 VAL 29 -10.737 -10.731 -5.824 215 HG23 VAL 29 2HG2 VAL 29 -10.510 -12.477 -5.851 216 H VAL 30 H VAL 30 -6.106 -13.239 -5.500 217 HA VAL 30 HA VAL 30 -4.116 -11.581 -4.347 218 HB VAL 30 HB VAL 30 -4.059 -14.299 -5.701 219 HG11 VAL 30 1HG1 VAL 30 -1.783 -13.460 -5.937 220 HG12 VAL 30 2HG1 VAL 30 -1.737 -12.998 -4.229 221 HG13 VAL 30 3HG1 VAL 30 -1.833 -14.712 -4.698 222 HG21 VAL 30 3HG2 VAL 30 -4.184 -15.262 -3.631 223 HG22 VAL 30 1HG2 VAL 30 -3.508 -13.866 -2.768 224 HG23 VAL 30 2HG2 VAL 30 -5.180 -13.837 -3.343 225 H ALA 31 H ALA 31 -4.434 -12.888 -7.717 226 HA ALA 31 HA ALA 31 -2.249 -11.374 -8.782 227 HB1 ALA 31 1HB ALA 31 -3.254 -13.299 -9.964 228 HB2 ALA 31 2HB ALA 31 -4.775 -12.403 -10.140 229 HB3 ALA 31 3HB ALA 31 -3.313 -11.833 -10.967 230 H ASP 32 H ASP 32 -5.775 -10.655 -8.522 231 HA ASP 32 HA ASP 32 -5.511 -8.177 -9.914 232 HB2 ASP 32 1HB ASP 32 -7.644 -9.266 -8.123 233 HB3 ASP 32 2HB ASP 32 -7.665 -7.563 -8.531 234 H LEU 33 H LEU 33 -4.969 -8.820 -6.397 235 HA LEU 33 HA LEU 33 -4.813 -6.167 -5.633 236 HG LEU 33 HG LEU 33 -4.817 -7.653 -2.576 237 HB2 LEU 33 1HB LEU 33 -4.720 -8.603 -4.435 238 HB3 LEU 33 2HB LEU 33 -3.017 -8.357 -4.493 239 HD11 LEU 33 1HD1 LEU 33 -2.464 -8.016 -2.180 240 HD12 LEU 33 2HD1 LEU 33 -2.052 -6.552 -3.088 241 HD13 LEU 33 3HD1 LEU 33 -2.883 -6.421 -1.503 242 HD21 LEU 33 3HD2 LEU 33 -4.843 -5.244 -2.227 243 HD22 LEU 33 1HD2 LEU 33 -4.007 -4.967 -3.768 244 HD23 LEU 33 2HD2 LEU 33 -5.640 -5.652 -3.722 245 H TYR 34 H TYR 34 -2.498 -8.106 -7.370 246 HA TYR 34 HA TYR 34 -0.284 -6.169 -7.037 247 HD1 TYR 34 HD2 TYR 34 -0.750 -9.872 -6.549 248 HD2 TYR 34 HD1 TYR 34 2.443 -7.292 -7.749 249 HE1 TYR 34 HE2 TYR 34 0.654 -10.846 -4.750 250 HE2 TYR 34 HE1 TYR 34 3.902 -8.241 -5.903 251 HH TYR 34 HH TYR 34 3.351 -9.284 -3.577 252 HB2 TYR 34 1HB TYR 34 -0.725 -8.630 -8.771 253 HB3 TYR 34 2HB TYR 34 0.564 -7.495 -9.103 254 H ASN 35 H ASN 35 -2.921 -6.981 -9.306 255 HA ASN 35 HA ASN 35 -1.993 -5.147 -11.294 256 HB2 ASN 35 1HB ASN 35 -4.625 -6.597 -11.082 257 HB3 ASN 35 2HB ASN 35 -4.132 -5.581 -12.437 258 HD21 ASN 35 2HD2 ASN 35 -4.679 -8.320 -13.028 259 HD22 ASN 35 1HD2 ASN 35 -3.150 -9.085 -13.339 260 H PHE 36 H PHE 36 -3.960 -4.718 -8.462 261 HA PHE 36 HA PHE 36 -5.511 -2.650 -8.990 262 HD1 PHE 36 HD2 PHE 36 -6.964 -1.365 -7.775 263 HD2 PHE 36 HD1 PHE 36 -4.118 -1.641 -4.592 264 HE1 PHE 36 HE2 PHE 36 -8.104 0.470 -6.627 265 HE2 PHE 36 HE1 PHE 36 -5.195 0.257 -3.453 266 HZ PHE 36 HZ PHE 36 -7.214 1.316 -4.433 267 HB2 PHE 36 1HB PHE 36 -5.243 -3.717 -6.740 268 HB3 PHE 36 2HB PHE 36 -3.719 -2.893 -6.554 269 H TRP 37 H TRP 37 -2.161 -2.142 -8.085 270 HA TRP 37 HA TRP 37 -2.234 0.694 -8.798 271 HD1 TRP 37 HD1 TRP 37 -0.468 -2.976 -7.012 272 HE1 TRP 37 HE1 TRP 37 -1.292 -3.654 -4.704 273 HE3 TRP 37 HE3 TRP 37 -1.838 1.636 -5.239 274 HZ2 TRP 37 HZ2 TRP 37 -2.172 -2.344 -2.276 275 HZ3 TRP 37 HZ3 TRP 37 -2.672 1.875 -2.909 276 HH2 TRP 37 HH2 TRP 37 -2.814 -0.094 -1.425 277 HB2 TRP 37 1HB TRP 37 0.325 -0.520 -7.981 278 HB3 TRP 37 2HB TRP 37 -0.543 0.870 -7.348 279 H LYS 38 H LYS 38 -2.041 -1.936 -10.680 280 HA LYS 38 HA LYS 38 0.347 -1.313 -12.283 281 HB2 LYS 38 1HB LYS 38 -0.585 -3.645 -11.674 282 HB3 LYS 38 2HB LYS 38 -1.858 -3.316 -12.868 283 HG2 LYS 38 1HG LYS 38 -0.268 -3.193 -14.647 284 HG3 LYS 38 2HG LYS 38 1.096 -3.149 -13.540 285 HD2 LYS 38 1HD LYS 38 -0.817 -5.513 -13.740 286 HD3 LYS 38 2HD LYS 38 0.657 -5.401 -14.694 287 HE2 LYS 38 1HE LYS 38 0.534 -5.492 -11.622 288 HE3 LYS 38 2HE LYS 38 0.951 -6.822 -12.687 289 HZ1 LYS 38 3HZ LYS 38 2.872 -5.682 -13.421 290 HZ2 LYS 38 1HZ LYS 38 2.499 -4.318 -12.540 291 HZ3 LYS 38 2HZ LYS 38 2.884 -5.696 -11.779 292 H ASP 39 H ASP 39 0.111 0.309 -13.632 293 HA ASP 39 HA ASP 39 -0.653 1.857 -15.017 294 HB2 ASP 39 1HB ASP 39 -1.911 -0.591 -15.971 295 HB3 ASP 39 2HB ASP 39 -2.898 0.814 -16.334 296 H ASP 40 H ASP 40 -3.936 0.591 -14.225 297 HA ASP 40 HA ASP 40 -4.534 2.514 -12.334 298 HB2 ASP 40 1HB ASP 40 -5.674 4.295 -13.290 299 HB3 ASP 40 2HB ASP 40 -4.233 4.170 -14.246 300 H TYR 41 H TYR 41 -5.054 -0.097 -12.387 301 HA TYR 41 HA TYR 41 -7.806 -0.704 -13.051 302 HD1 TYR 41 HD2 TYR 41 -7.393 -2.155 -9.518 303 HD2 TYR 41 HD1 TYR 41 -7.526 -4.261 -13.201 304 HE1 TYR 41 HE2 TYR 41 -8.604 -3.914 -8.342 305 HE2 TYR 41 HE1 TYR 41 -8.908 -6.049 -12.135 306 HH TYR 41 HH TYR 41 -9.533 -6.961 -10.001 307 HB2 TYR 41 1HB TYR 41 -6.094 -2.378 -12.926 308 HB3 TYR 41 2HB TYR 41 -5.658 -1.900 -11.302 309 H VAL 42 H VAL 42 -9.430 -1.182 -11.303 310 HA VAL 42 HA VAL 42 -9.268 0.419 -8.822 311 HB VAL 42 HB VAL 42 -11.291 0.609 -11.029 312 HG11 VAL 42 1HG1 VAL 42 -12.965 1.582 -9.402 313 HG12 VAL 42 2HG1 VAL 42 -12.816 -0.171 -9.386 314 HG13 VAL 42 3HG1 VAL 42 -12.050 0.781 -8.103 315 HG21 VAL 42 3HG2 VAL 42 -11.281 2.947 -10.409 316 HG22 VAL 42 1HG2 VAL 42 -10.280 2.597 -8.977 317 HG23 VAL 42 2HG2 VAL 42 -9.628 2.372 -10.623 318 H MET 43 H MET 43 -9.507 -0.975 -7.183 319 HA MET 43 HA MET 43 -10.680 -3.653 -7.515 320 HB2 MET 43 1HB MET 43 -9.885 -2.026 -5.087 321 HB3 MET 43 2HB MET 43 -10.416 -3.711 -5.008 322 HG2 MET 43 1HG MET 43 -8.431 -4.503 -6.097 323 HG3 MET 43 2HG MET 43 -7.972 -2.910 -6.577 324 HE1 MET 43 3HE MET 43 -9.063 -2.540 -3.007 325 HE2 MET 43 1HE MET 43 -7.484 -1.906 -2.458 326 HE3 MET 43 2HE MET 43 -8.263 -1.248 -3.925 327 H THR 44 H THR 44 -12.763 -4.141 -6.980 328 HA THR 44 HA THR 44 -14.370 -2.198 -5.387 329 HB THR 44 HB THR 44 -16.297 -3.463 -6.678 330 HG1 THR 44 1HG THR 44 -14.887 -4.911 -7.799 331 HG21 THR 44 3HG2 THR 44 -14.535 -1.429 -8.130 332 HG22 THR 44 1HG2 THR 44 -16.258 -1.767 -8.443 333 HG23 THR 44 2HG2 THR 44 -15.764 -1.033 -6.905 334 H ASP 45 H ASP 45 -12.589 -4.919 -5.181 335 HA ASP 45 HA ASP 45 -14.507 -6.800 -4.259 336 HB2 ASP 45 1HB ASP 45 -11.582 -6.955 -5.011 337 HB3 ASP 45 2HB ASP 45 -12.657 -8.301 -4.816 338 H ARG 46 H ARG 46 -14.673 -7.371 -2.114 339 HA ARG 46 HA ARG 46 -13.411 -5.848 -0.169 340 HE ARG 46 HE ARG 46 -13.908 -10.167 3.279 341 HB2 ARG 46 1HB ARG 46 -15.207 -6.589 0.717 342 HB3 ARG 46 2HB ARG 46 -15.293 -8.112 -0.219 343 HG2 ARG 46 1HG ARG 46 -13.648 -9.095 1.260 344 HG3 ARG 46 2HG ARG 46 -13.565 -7.620 2.252 345 HD2 ARG 46 1HD ARG 46 -15.851 -7.955 2.965 346 HD3 ARG 46 2HD ARG 46 -16.034 -9.337 1.846 347 HH11 ARG 46 2HH2 ARG 46 -16.959 -8.786 4.494 348 HH12 ARG 46 1HH2 ARG 46 -16.909 -9.650 5.976 349 HH21 ARG 46 2HH1 ARG 46 -13.833 -11.265 5.192 350 HH22 ARG 46 1HH1 ARG 46 -15.120 -11.161 6.367 351 H LEU 47 H LEU 47 -12.382 -9.370 -1.079 352 HA LEU 47 HA LEU 47 -10.408 -9.580 0.644 353 HG LEU 47 HG LEU 47 -10.614 -12.546 -0.903 354 HB2 LEU 47 1HB LEU 47 -11.145 -10.310 -2.210 355 HB3 LEU 47 2HB LEU 47 -9.610 -10.813 -1.651 356 HD11 LEU 47 1HD1 LEU 47 -12.137 -11.051 1.235 357 HD12 LEU 47 2HD1 LEU 47 -11.725 -12.772 1.229 358 HD13 LEU 47 3HD1 LEU 47 -10.448 -11.575 1.402 359 HD21 LEU 47 3HD2 LEU 47 -13.264 -11.242 -1.034 360 HD22 LEU 47 1HD2 LEU 47 -12.419 -12.236 -2.295 361 HD23 LEU 47 2HD2 LEU 47 -12.952 -12.991 -0.788 362 H ALA 48 H ALA 48 -10.305 -7.481 -2.282 363 HA ALA 48 HA ALA 48 -7.431 -7.407 -2.319 364 HB1 ALA 48 1HB ALA 48 -9.281 -5.252 -3.360 365 HB2 ALA 48 2HB ALA 48 -7.775 -5.925 -4.058 366 HB3 ALA 48 3HB ALA 48 -9.254 -6.857 -4.131 367 H GLY 49 H GLY 49 -9.968 -5.429 -0.748 368 HA2 GLY 49 1HA GLY 49 -8.216 -3.616 0.648 369 HA3 GLY 49 2HA GLY 49 -9.868 -4.041 1.123 370 H CYS 50 H CYS 50 -9.801 -6.694 1.736 371 HA CYS 50 HA CYS 50 -8.606 -6.782 4.288 372 HB2 CYS 50 1HB CYS 50 -9.455 -9.130 2.535 373 HB3 CYS 50 2HB CYS 50 -9.060 -9.186 4.248 374 H ALA 51 H ALA 51 -7.256 -7.943 1.189 375 HA ALA 51 HA ALA 51 -4.926 -9.183 2.171 376 HB1 ALA 51 1HB ALA 51 -5.775 -7.902 -0.436 377 HB2 ALA 51 2HB ALA 51 -4.092 -8.352 -0.205 378 HB3 ALA 51 3HB ALA 51 -5.339 -9.590 -0.069 379 H ILE 52 H ILE 52 -5.466 -5.727 1.179 380 HA ILE 52 HA ILE 52 -2.897 -4.741 1.953 381 HB ILE 52 HB ILE 52 -5.644 -3.437 1.767 382 HG12 ILE 52 1HG1 ILE 52 -3.209 -3.103 -0.033 383 HG13 ILE 52 2HG1 ILE 52 -4.441 -4.325 -0.309 384 HG21 ILE 52 1HG2 ILE 52 -3.001 -1.992 2.141 385 HG22 ILE 52 2HG2 ILE 52 -4.590 -1.245 1.888 386 HG23 ILE 52 3HG2 ILE 52 -4.271 -2.115 3.376 387 HD11 ILE 52 3HD1 ILE 52 -4.934 -2.441 -1.717 388 HD12 ILE 52 1HD1 ILE 52 -6.187 -2.545 -0.463 389 HD13 ILE 52 2HD1 ILE 52 -4.898 -1.320 -0.348 390 H ASN 53 H ASN 53 -5.971 -4.937 3.747 391 HA ASN 53 HA ASN 53 -5.251 -3.882 6.184 392 HB2 ASN 53 1HB ASN 53 -7.509 -4.901 5.190 393 HB3 ASN 53 2HB ASN 53 -7.025 -6.297 6.149 394 HD21 ASN 53 2HD2 ASN 53 -8.958 -3.546 6.261 395 HD22 ASN 53 1HD2 ASN 53 -8.722 -3.082 7.883 396 H CYS 54 H CYS 54 -4.587 -7.168 5.046 397 HA CYS 54 HA CYS 54 -3.410 -8.030 7.560 398 HB2 CYS 54 1HB CYS 54 -4.399 -9.679 6.294 399 HB3 CYS 54 2HB CYS 54 -3.613 -9.175 4.795 400 H LEU 55 H LEU 55 -2.000 -6.852 4.428 401 HA LEU 55 HA LEU 55 0.734 -7.247 5.118 402 HG LEU 55 HG LEU 55 1.142 -5.843 1.700 403 HB2 LEU 55 1HB LEU 55 -0.670 -5.209 3.356 404 HB3 LEU 55 2HB LEU 55 1.013 -4.996 3.763 405 HD11 LEU 55 1HD1 LEU 55 1.345 -8.416 3.288 406 HD12 LEU 55 2HD1 LEU 55 2.236 -7.949 1.824 407 HD13 LEU 55 3HD1 LEU 55 2.552 -7.109 3.360 408 HD21 LEU 55 3HD2 LEU 55 -0.038 -7.786 0.843 409 HD22 LEU 55 1HD2 LEU 55 -0.852 -7.962 2.439 410 HD23 LEU 55 2HD2 LEU 55 -1.175 -6.538 1.404 411 H ALA 56 H ALA 56 -1.499 -4.821 6.169 412 HA ALA 56 HA ALA 56 0.357 -2.731 6.907 413 HB1 ALA 56 1HB ALA 56 -2.051 -2.426 6.118 414 HB2 ALA 56 2HB ALA 56 -2.592 -3.199 7.618 415 HB3 ALA 56 3HB ALA 56 -1.731 -1.657 7.684 416 H THR 57 H THR 57 -0.525 -5.627 8.548 417 HA THR 57 HA THR 57 0.866 -4.438 10.874 418 HB THR 57 HB THR 57 -1.645 -4.825 11.218 419 HG1 THR 57 1HG THR 57 -0.816 -4.325 13.000 420 HG21 THR 57 3HG2 THR 57 -1.694 -7.150 10.385 421 HG22 THR 57 1HG2 THR 57 -0.684 -7.646 11.763 422 HG23 THR 57 2HG2 THR 57 -2.296 -6.983 12.047 423 H LYS 58 H LYS 58 1.552 -5.966 8.252 424 HA LYS 58 HA LYS 58 3.356 -7.910 9.592 425 HB2 LYS 58 1HB LYS 58 1.697 -8.018 7.071 426 HB3 LYS 58 2HB LYS 58 3.281 -8.759 7.013 427 HG2 LYS 58 1HG LYS 58 2.821 -10.005 9.068 428 HG3 LYS 58 2HG LYS 58 1.151 -9.362 9.056 429 HD2 LYS 58 1HD LYS 58 1.015 -10.244 6.611 430 HD3 LYS 58 2HD LYS 58 2.475 -11.174 6.959 431 HE2 LYS 58 1HE LYS 58 -0.180 -11.365 8.452 432 HE3 LYS 58 2HE LYS 58 0.308 -12.430 7.150 433 HZ1 LYS 58 3HZ LYS 58 2.194 -13.136 8.549 434 HZ2 LYS 58 1HZ LYS 58 1.594 -12.236 9.818 435 HZ3 LYS 58 2HZ LYS 58 0.722 -13.468 9.171 436 H LEU 59 H LEU 59 3.830 -5.125 9.563 437 HA LEU 59 HA LEU 59 5.173 -4.378 7.168 438 HG LEU 59 HG LEU 59 4.238 -1.226 8.832 439 HB2 LEU 59 1HB LEU 59 5.778 -3.067 9.809 440 HB3 LEU 59 2HB LEU 59 6.092 -2.479 8.186 441 HD11 LEU 59 1HD1 LEU 59 2.412 -1.714 7.527 442 HD12 LEU 59 2HD1 LEU 59 3.786 -2.354 6.630 443 HD13 LEU 59 3HD1 LEU 59 2.737 -3.465 7.528 444 HD21 LEU 59 3HD2 LEU 59 2.415 -1.788 10.084 445 HD22 LEU 59 1HD2 LEU 59 2.722 -3.543 9.961 446 HD23 LEU 59 2HD2 LEU 59 3.814 -2.504 10.902 447 H ASP 60 H ASP 60 6.245 -6.399 9.830 448 HA ASP 60 HA ASP 60 9.143 -6.014 9.238 449 HB2 ASP 60 1HB ASP 60 8.790 -6.438 11.496 450 HB3 ASP 60 2HB ASP 60 7.546 -7.648 11.176 451 H VAL 61 H VAL 61 6.506 -7.966 8.197 452 HA VAL 61 HA VAL 61 8.178 -10.116 7.107 453 HB VAL 61 HB VAL 61 5.207 -9.620 6.750 454 HG11 VAL 61 1HG1 VAL 61 6.356 -11.232 5.224 455 HG12 VAL 61 2HG1 VAL 61 6.818 -12.173 6.657 456 HG13 VAL 61 3HG1 VAL 61 5.109 -11.970 6.239 457 HG21 VAL 61 3HG2 VAL 61 5.501 -9.766 9.161 458 HG22 VAL 61 1HG2 VAL 61 4.908 -11.331 8.598 459 HG23 VAL 61 2HG2 VAL 61 6.623 -11.127 8.985 460 H VAL 62 H VAL 62 6.092 -7.362 6.006 461 HA VAL 62 HA VAL 62 6.700 -7.771 3.245 462 HB VAL 62 HB VAL 62 4.713 -6.625 4.518 463 HG11 VAL 62 1HG1 VAL 62 4.693 -4.301 4.721 464 HG12 VAL 62 2HG1 VAL 62 6.205 -4.825 5.488 465 HG13 VAL 62 3HG1 VAL 62 6.258 -4.121 3.868 466 HG21 VAL 62 3HG2 VAL 62 4.664 -6.845 2.135 467 HG22 VAL 62 1HG2 VAL 62 4.191 -5.195 2.540 468 HG23 VAL 62 2HG2 VAL 62 5.834 -5.491 1.947 469 H ASP 63 H ASP 63 8.169 -5.733 5.781 470 HA ASP 63 HA ASP 63 10.436 -5.147 3.965 471 HB2 ASP 63 1HB ASP 63 9.024 -3.254 3.741 472 HB3 ASP 63 2HB ASP 63 8.887 -3.051 5.483 473 HA PRO 64 HA PRO 64 11.823 -6.586 8.114 474 HB2 PRO 64 1HB PRO 64 13.793 -8.320 7.277 475 HB3 PRO 64 2HB PRO 64 12.057 -8.749 7.394 476 HG2 PRO 64 1HG PRO 64 13.598 -7.886 4.937 477 HG3 PRO 64 2HG PRO 64 12.430 -9.236 5.134 478 HD2 PRO 64 1HD PRO 64 11.711 -6.856 4.058 479 HD3 PRO 64 2HD PRO 64 10.594 -7.825 5.054 480 H ASP 65 H ASP 65 13.197 -4.731 5.588 481 HA ASP 65 HA ASP 65 15.807 -4.122 6.709 482 HB2 ASP 65 1HB ASP 65 13.823 -2.513 5.063 483 HB3 ASP 65 2HB ASP 65 15.290 -1.810 5.733 484 H GLY 66 H GLY 66 12.419 -3.211 7.453 485 HA2 GLY 66 1HA GLY 66 11.688 -2.838 9.637 486 HA3 GLY 66 2HA GLY 66 13.315 -2.330 10.118 487 H ASN 67 H ASN 67 12.037 -1.020 7.090 488 HA ASN 67 HA ASN 67 12.343 1.630 8.294 489 HB2 ASN 67 1HB ASN 67 11.431 0.883 5.487 490 HB3 ASN 67 2HB ASN 67 11.728 2.494 6.138 491 HD21 ASN 67 2HD2 ASN 67 13.255 -0.413 4.953 492 HD22 ASN 67 1HD2 ASN 67 14.881 0.273 4.945 493 H LEU 68 H LEU 68 9.780 -0.465 6.911 494 HA LEU 68 HA LEU 68 7.686 1.529 7.254 495 HG LEU 68 HG LEU 68 5.285 -0.842 7.015 496 HB2 LEU 68 1HB LEU 68 7.814 -0.431 5.582 497 HB3 LEU 68 2HB LEU 68 7.476 -1.487 6.869 498 HD11 LEU 68 1HD1 LEU 68 4.086 0.970 6.141 499 HD12 LEU 68 2HD1 LEU 68 5.326 1.565 7.236 500 HD13 LEU 68 3HD1 LEU 68 5.564 1.711 5.464 501 HD21 LEU 68 3HD2 LEU 68 5.822 -1.981 4.894 502 HD22 LEU 68 1HD2 LEU 68 4.385 -0.960 4.745 503 HD23 LEU 68 2HD2 LEU 68 5.932 -0.398 4.095 504 H HIS 69 H HIS 69 6.514 1.968 9.060 505 HA HIS 69 HA HIS 69 6.018 -0.210 10.931 506 HD1 HIS 69 HD1 HIS 69 8.560 -0.561 13.276 507 HD2 HIS 69 HD2 HIS 69 8.967 3.008 10.990 508 HE1 HIS 69 HE1 HIS 69 11.030 -0.229 12.838 509 HE2 HIS 69 HE2 HIS 69 11.306 1.904 11.502 510 HB2 HIS 69 1HB HIS 69 6.528 2.509 12.149 511 HB3 HIS 69 2HB HIS 69 6.317 0.977 12.948 512 H HIS 70 H HIS 70 4.103 0.180 12.347 513 HA HIS 70 HA HIS 70 1.873 1.259 11.005 514 HD1 HIS 70 HD1 HIS 70 -0.951 1.520 12.596 515 HD2 HIS 70 HD2 HIS 70 2.063 2.575 15.388 516 HE1 HIS 70 HE1 HIS 70 -1.894 3.384 13.996 517 HE2 HIS 70 HE2 HIS 70 -0.180 3.970 15.800 518 HB2 HIS 70 1HB HIS 70 1.314 -0.129 12.787 519 HB3 HIS 70 2HB HIS 70 2.576 0.512 13.834 520 H GLY 71 H GLY 71 1.071 3.271 10.800 521 HA2 GLY 71 1HA GLY 71 0.939 5.517 10.791 522 HA3 GLY 71 2HA GLY 71 1.703 5.524 12.382 523 H ASN 72 H ASN 72 3.642 3.997 9.852 524 HA ASN 72 HA ASN 72 5.296 6.424 9.603 525 HB2 ASN 72 1HB ASN 72 5.538 4.760 11.828 526 HB3 ASN 72 2HB ASN 72 6.769 4.105 10.763 527 HD21 ASN 72 2HD2 ASN 72 8.402 5.700 9.933 528 HD22 ASN 72 1HD2 ASN 72 8.714 7.121 10.908 529 H ALA 73 H ALA 73 4.645 5.988 7.339 530 HA ALA 73 HA ALA 73 6.245 3.886 6.013 531 HB1 ALA 73 1HB ALA 73 4.485 6.081 4.888 532 HB2 ALA 73 2HB ALA 73 5.139 4.692 4.011 533 HB3 ALA 73 3HB ALA 73 3.930 4.443 5.281 534 H LYS 74 H LYS 74 7.131 6.785 7.422 535 HA LYS 74 HA LYS 74 7.967 8.184 5.083 536 HB2 LYS 74 1HB LYS 74 7.506 8.779 7.838 537 HB3 LYS 74 2HB LYS 74 9.175 9.227 7.515 538 HG2 LYS 74 1HG LYS 74 8.563 10.730 5.774 539 HG3 LYS 74 2HG LYS 74 6.969 9.969 5.584 540 HD2 LYS 74 1HD LYS 74 6.590 12.057 6.568 541 HD3 LYS 74 2HD LYS 74 6.261 10.775 7.762 542 HE2 LYS 74 1HE LYS 74 8.493 11.229 8.792 543 HE3 LYS 74 2HE LYS 74 8.769 12.522 7.600 544 HZ1 LYS 74 3HZ LYS 74 7.046 13.787 8.524 545 HZ2 LYS 74 1HZ LYS 74 6.403 12.526 9.356 546 HZ3 LYS 74 2HZ LYS 74 7.805 13.194 9.843 547 H ASP 75 H ASP 75 9.944 6.448 7.584 548 HA ASP 75 HA ASP 75 12.383 7.038 6.147 549 HB2 ASP 75 1HB ASP 75 11.844 4.738 8.075 550 HB3 ASP 75 2HB ASP 75 13.398 5.234 7.439 551 H PHE 76 H PHE 76 9.758 4.768 5.702 552 HA PHE 76 HA PHE 76 11.209 2.868 4.020 553 HD1 PHE 76 HD2 PHE 76 9.952 0.155 4.034 554 HD2 PHE 76 HD1 PHE 76 7.454 3.046 2.013 555 HE1 PHE 76 HE2 PHE 76 9.367 -1.534 2.327 556 HE2 PHE 76 HE1 PHE 76 6.826 1.349 0.375 557 HZ PHE 76 HZ PHE 76 7.789 -0.957 0.479 558 HB2 PHE 76 1HB PHE 76 9.114 2.255 5.171 559 HB3 PHE 76 2HB PHE 76 8.226 3.433 4.254 560 H ALA 77 H ALA 77 9.000 5.646 3.300 561 HA ALA 77 HA ALA 77 9.510 5.730 0.569 562 HB1 ALA 77 1HB ALA 77 7.740 6.983 1.869 563 HB2 ALA 77 2HB ALA 77 9.003 8.116 2.397 564 HB3 ALA 77 3HB ALA 77 8.580 7.977 0.681 565 H MET 78 H MET 78 11.341 7.288 3.190 566 HA MET 78 HA MET 78 13.210 8.742 1.677 567 HB2 MET 78 1HB MET 78 13.683 7.369 4.340 568 HB3 MET 78 2HB MET 78 14.670 8.650 3.642 569 HG2 MET 78 1HG MET 78 11.779 9.299 3.873 570 HG3 MET 78 2HG MET 78 12.580 9.039 5.387 571 HE1 MET 78 3HE MET 78 12.287 12.677 5.624 572 HE2 MET 78 1HE MET 78 11.178 12.005 4.399 573 HE3 MET 78 2HE MET 78 11.551 11.100 5.882 574 H LYS 79 H LYS 79 13.388 5.349 2.801 575 HA LYS 79 HA LYS 79 15.887 4.945 1.275 576 HB2 LYS 79 1HB LYS 79 14.263 3.246 3.225 577 HB3 LYS 79 2HB LYS 79 15.627 2.573 2.341 578 HG2 LYS 79 1HG LYS 79 15.865 5.027 4.124 579 HG3 LYS 79 2HG LYS 79 16.197 3.368 4.649 580 HD2 LYS 79 1HD LYS 79 17.959 3.118 2.962 581 HD3 LYS 79 2HD LYS 79 17.633 4.741 2.341 582 HE2 LYS 79 1HE LYS 79 18.147 5.622 4.667 583 HE3 LYS 79 2HE LYS 79 18.758 4.001 5.053 584 HZ1 LYS 79 3HZ LYS 79 19.713 5.822 2.935 585 HZ2 LYS 79 1HZ LYS 79 20.543 5.400 4.269 586 HZ3 LYS 79 2HZ LYS 79 20.282 4.275 3.114 587 H HIS 80 H HIS 80 13.014 5.342 0.030 588 HA HIS 80 HA HIS 80 13.427 3.119 -1.921 589 HD1 HIS 80 HD1 HIS 80 10.420 0.701 -2.112 590 HD2 HIS 80 HD2 HIS 80 12.545 2.202 1.234 591 HE1 HIS 80 HE1 HIS 80 10.582 -1.181 -0.397 592 HE2 HIS 80 HE2 HIS 80 12.112 -0.350 1.493 593 HB2 HIS 80 1HB HIS 80 10.839 3.993 -0.622 594 HB3 HIS 80 2HB HIS 80 10.859 3.247 -2.194 595 H GLY 81 H GLY 81 13.170 6.575 -1.582 596 HA2 GLY 81 1HA GLY 81 14.130 7.241 -3.937 597 HA3 GLY 81 2HA GLY 81 12.536 6.773 -4.489 598 H ALA 82 H ALA 82 11.946 8.102 -1.466 599 HA ALA 82 HA ALA 82 11.145 10.648 -2.738 600 HB1 ALA 82 1HB ALA 82 10.204 9.055 -0.329 601 HB2 ALA 82 2HB ALA 82 9.566 10.632 -0.703 602 HB3 ALA 82 3HB ALA 82 9.313 9.302 -1.851 603 H ASP 83 H ASP 83 10.914 12.440 -1.087 604 HA ASP 83 HA ASP 83 13.091 12.616 0.941 605 HB2 ASP 83 1HB ASP 83 11.915 15.019 -0.505 606 HB3 ASP 83 2HB ASP 83 13.343 14.967 0.507 607 H GLU 84 H GLU 84 12.379 14.423 2.560 608 HA GLU 84 HA GLU 84 9.946 13.953 3.859 609 HB2 GLU 84 1HB GLU 84 11.620 16.492 3.642 610 HB3 GLU 84 2HB GLU 84 10.147 16.395 4.611 611 HG2 GLU 84 1HG GLU 84 11.083 14.588 5.963 612 HG3 GLU 84 2HG GLU 84 12.614 14.728 5.061 613 H THR 85 H THR 85 10.428 16.097 1.128 614 HA THR 85 HA THR 85 7.918 17.432 1.306 615 HB THR 85 HB THR 85 9.654 16.741 -1.092 616 HG1 THR 85 1HG THR 85 9.481 18.874 0.710 617 HG21 THR 85 3HG2 THR 85 7.417 17.335 -1.912 618 HG22 THR 85 1HG2 THR 85 7.382 18.772 -0.878 619 HG23 THR 85 2HG2 THR 85 8.535 18.674 -2.223 620 H MET 86 H MET 86 8.913 14.641 -0.704 621 HA MET 86 HA MET 86 6.299 14.083 -1.738 622 HB2 MET 86 1HB MET 86 8.861 12.464 -1.496 623 HB3 MET 86 2HB MET 86 7.450 11.891 -2.371 624 HG2 MET 86 1HG MET 86 7.727 13.421 -4.102 625 HG3 MET 86 2HG MET 86 8.538 14.603 -3.073 626 HE1 MET 86 3HE MET 86 9.024 11.641 -5.581 627 HE2 MET 86 1HE MET 86 10.565 10.950 -5.032 628 HE3 MET 86 2HE MET 86 9.127 10.820 -4.006 629 H ALA 87 H ALA 87 8.306 12.628 0.906 630 HA ALA 87 HA ALA 87 6.404 10.626 1.575 631 HB1 ALA 87 1HB ALA 87 7.750 10.267 3.519 632 HB2 ALA 87 2HB ALA 87 8.830 10.622 2.180 633 HB3 ALA 87 3HB ALA 87 8.498 11.878 3.400 634 H GLN 88 H GLN 88 6.717 14.096 2.695 635 HA GLN 88 HA GLN 88 4.596 13.730 4.639 636 HB2 GLN 88 1HB GLN 88 6.091 15.561 4.967 637 HB3 GLN 88 2HB GLN 88 5.933 16.100 3.295 638 HG2 GLN 88 1HG GLN 88 4.776 17.635 4.644 639 HG3 GLN 88 2HG GLN 88 3.567 16.755 3.764 640 HE21 GLN 88 2HE2 GLN 88 2.436 14.941 5.022 641 HE22 GLN 88 1HE2 GLN 88 2.244 15.141 6.757 642 H GLN 89 H GLN 89 4.754 14.656 1.155 643 HA GLN 89 HA GLN 89 2.033 15.524 0.823 644 HB2 GLN 89 1HB GLN 89 3.883 14.244 -1.198 645 HB3 GLN 89 2HB GLN 89 2.269 14.839 -1.494 646 HG2 GLN 89 1HG GLN 89 3.379 17.013 -0.165 647 HG3 GLN 89 2HG GLN 89 4.762 16.370 -1.079 648 HE21 GLN 89 2HE2 GLN 89 4.544 16.069 -3.440 649 HE22 GLN 89 1HE2 GLN 89 3.375 17.121 -4.212 650 H LEU 90 H LEU 90 3.516 12.226 0.333 651 HA LEU 90 HA LEU 90 1.260 10.769 -0.188 652 HG LEU 90 HG LEU 90 2.619 9.542 -1.384 653 HB2 LEU 90 1HB LEU 90 4.009 10.323 1.106 654 HB3 LEU 90 2HB LEU 90 2.863 9.049 1.139 655 HD11 LEU 90 1HD1 LEU 90 5.312 10.553 -1.348 656 HD12 LEU 90 2HD1 LEU 90 4.129 10.173 -2.658 657 HD13 LEU 90 3HD1 LEU 90 3.790 11.490 -1.558 658 HD21 LEU 90 3HD2 LEU 90 4.358 7.935 -1.999 659 HD22 LEU 90 1HD2 LEU 90 5.203 8.222 -0.447 660 HD23 LEU 90 2HD2 LEU 90 3.638 7.396 -0.476 661 H VAL 91 H VAL 91 2.727 11.155 3.041 662 HA VAL 91 HA VAL 91 0.634 9.889 4.405 663 HB VAL 91 HB VAL 91 2.976 11.371 5.106 664 HG11 VAL 91 1HG1 VAL 91 1.473 13.185 5.853 665 HG12 VAL 91 2HG1 VAL 91 0.690 12.062 6.983 666 HG13 VAL 91 3HG1 VAL 91 2.437 12.471 7.148 667 HG21 VAL 91 3HG2 VAL 91 2.455 9.044 5.704 668 HG22 VAL 91 1HG2 VAL 91 2.882 10.010 7.120 669 HG23 VAL 91 2HG2 VAL 91 1.168 9.598 6.801 670 H ASP 92 H ASP 92 0.783 13.241 3.220 671 HA ASP 92 HA ASP 92 -1.647 14.123 4.506 672 HB2 ASP 92 1HB ASP 92 0.379 15.504 3.701 673 HB3 ASP 92 2HB ASP 92 -0.308 15.382 2.080 674 H ILE 93 H ILE 93 -0.948 12.290 1.612 675 HA ILE 93 HA ILE 93 -3.555 12.756 0.416 676 HB ILE 93 HB ILE 93 -1.730 10.422 -0.184 677 HG12 ILE 93 1HG1 ILE 93 -1.958 13.118 -1.605 678 HG13 ILE 93 2HG1 ILE 93 -0.551 12.465 -0.762 679 HG21 ILE 93 1HG2 ILE 93 -3.099 10.298 -2.283 680 HG22 ILE 93 2HG2 ILE 93 -4.124 10.154 -0.848 681 HG23 ILE 93 3HG2 ILE 93 -4.018 11.705 -1.713 682 HD11 ILE 93 3HD1 ILE 93 -1.596 11.664 -3.448 683 HD12 ILE 93 1HD1 ILE 93 0.055 11.960 -2.857 684 HD13 ILE 93 2HD1 ILE 93 -0.759 10.461 -2.448 685 H ILE 94 H ILE 94 -2.061 10.132 2.484 686 HA ILE 94 HA ILE 94 -4.575 8.677 2.403 687 HB ILE 94 HB ILE 94 -2.322 7.599 2.628 688 HG12 ILE 94 1HG1 ILE 94 -3.265 5.965 4.482 689 HG13 ILE 94 2HG1 ILE 94 -4.757 6.925 4.312 690 HG21 ILE 94 1HG2 ILE 94 -2.469 8.351 5.557 691 HG22 ILE 94 2HG2 ILE 94 -1.299 7.278 4.777 692 HG23 ILE 94 3HG2 ILE 94 -1.318 8.984 4.356 693 HD11 ILE 94 3HD1 ILE 94 -3.234 5.444 2.103 694 HD12 ILE 94 1HD1 ILE 94 -4.739 4.941 2.877 695 HD13 ILE 94 2HD1 ILE 94 -4.723 6.394 1.860 696 H HIS 95 H HIS 95 -3.049 10.924 4.748 697 HA HIS 95 HA HIS 95 -5.251 10.738 6.628 698 HD1 HIS 95 HD1 HIS 95 -2.287 13.270 9.066 699 HD2 HIS 95 HD2 HIS 95 -3.224 9.502 7.378 700 HE1 HIS 95 HE1 HIS 95 -1.283 11.444 10.620 701 HE2 HIS 95 HE2 HIS 95 -1.942 9.131 9.536 702 HB2 HIS 95 1HB HIS 95 -3.089 12.834 6.105 703 HB3 HIS 95 2HB HIS 95 -4.371 13.107 7.271 704 H GLY 96 H GLY 96 -4.779 12.423 3.555 705 HA2 GLY 96 1HA GLY 96 -6.974 14.217 3.714 706 HA3 GLY 96 2HA GLY 96 -6.274 13.512 2.251 707 H CYS 97 H CYS 97 -6.637 11.063 2.178 708 HA CYS 97 HA CYS 97 -9.303 10.639 1.420 709 HB2 CYS 97 1HB CYS 97 -6.920 8.815 1.869 710 HB3 CYS 97 2HB CYS 97 -8.431 8.245 1.179 711 H GLU 98 H GLU 98 -7.586 9.492 4.402 712 HA GLU 98 HA GLU 98 -9.496 7.625 5.145 713 HB2 GLU 98 1HB GLU 98 -8.395 7.425 7.199 714 HB3 GLU 98 2HB GLU 98 -7.206 7.773 5.946 715 HG2 GLU 98 1HG GLU 98 -6.425 9.040 7.596 716 HG3 GLU 98 2HG GLU 98 -7.331 10.158 6.564 717 H LYS 99 H LYS 99 -9.240 11.108 5.830 718 HA LYS 99 HA LYS 99 -11.534 11.186 7.596 719 HB2 LYS 99 1HB LYS 99 -9.804 12.479 8.302 720 HB3 LYS 99 2HB LYS 99 -9.323 13.000 6.692 721 HG2 LYS 99 1HG LYS 99 -11.966 13.917 7.828 722 HG3 LYS 99 2HG LYS 99 -10.464 14.675 8.351 723 HD2 LYS 99 1HD LYS 99 -9.924 15.509 6.254 724 HD3 LYS 99 2HD LYS 99 -10.872 14.320 5.389 725 HE2 LYS 99 1HE LYS 99 -12.166 16.108 5.072 726 HE3 LYS 99 2HE LYS 99 -12.894 15.433 6.547 727 HZ1 LYS 99 3HZ LYS 99 -11.699 17.091 7.831 728 HZ2 LYS 99 1HZ LYS 99 -10.817 17.569 6.536 729 HZ3 LYS 99 2HZ LYS 99 -12.407 17.916 6.600 730 H SER 100 H SER 100 -10.854 11.952 4.127 731 HA SER 100 HA SER 100 -13.500 13.136 3.887 732 HG SER 100 HG SER 100 -13.336 14.632 2.337 733 HB2 SER 100 1HB SER 100 -11.088 12.881 2.179 734 HB3 SER 100 2HB SER 100 -12.628 12.734 1.327 735 H ALA 101 H ALA 101 -12.472 9.896 3.973 736 HA ALA 101 HA ALA 101 -13.558 8.532 2.075 737 HB1 ALA 101 1HB ALA 101 -13.830 6.676 3.686 738 HB2 ALA 101 2HB ALA 101 -12.390 7.628 4.071 739 HB3 ALA 101 3HB ALA 101 -13.876 7.834 5.028 740 HA PRO 102 HA PRO 102 -17.986 8.919 1.934 741 HB2 PRO 102 1HB PRO 102 -18.729 6.483 0.871 742 HB3 PRO 102 2HB PRO 102 -17.911 7.770 -0.062 743 HG2 PRO 102 1HG PRO 102 -16.701 5.337 1.257 744 HG3 PRO 102 2HG PRO 102 -16.391 5.957 -0.396 745 HD2 PRO 102 1HD PRO 102 -14.748 6.453 1.721 746 HD3 PRO 102 2HD PRO 102 -14.963 7.673 0.446 747 HA PRO 103 HA PRO 103 -19.572 6.920 5.616 748 HB2 PRO 103 1HB PRO 103 -22.201 6.445 5.111 749 HB3 PRO 103 2HB PRO 103 -21.534 8.088 5.385 750 HG2 PRO 103 1HG PRO 103 -22.150 6.752 2.730 751 HG3 PRO 103 2HG PRO 103 -22.530 8.427 3.245 752 HD2 PRO 103 1HD PRO 103 -20.362 7.827 1.706 753 HD3 PRO 103 2HD PRO 103 -20.310 9.130 2.934 754 H ASN 104 H ASN 104 -18.259 5.056 5.421 755 HA ASN 104 HA ASN 104 -19.661 2.565 4.990 756 HB2 ASN 104 1HB ASN 104 -18.998 2.957 2.657 757 HB3 ASN 104 2HB ASN 104 -17.342 3.369 3.183 758 HD21 ASN 104 2HD2 ASN 104 -16.393 1.802 1.939 759 HD22 ASN 104 1HD2 ASN 104 -16.641 0.093 2.128 760 H ASP 105 H ASP 105 -19.059 2.282 7.230 761 HA ASP 105 HA ASP 105 -16.155 2.281 7.842 762 HB2 ASP 105 1HB ASP 105 -18.397 1.779 9.793 763 HB3 ASP 105 2HB ASP 105 -16.654 1.873 10.074 764 H ASP 106 H ASP 106 -15.141 0.451 7.387 765 HA ASP 106 HA ASP 106 -15.882 -1.959 8.763 766 HB2 ASP 106 1HB ASP 106 -16.834 -2.279 6.423 767 HB3 ASP 106 2HB ASP 106 -15.201 -2.007 5.817 768 H LYS 107 H LYS 107 -13.706 -3.425 8.384 769 HA LYS 107 HA LYS 107 -11.430 -1.560 8.541 770 HB2 LYS 107 1HB LYS 107 -10.069 -3.417 9.082 771 HB3 LYS 107 2HB LYS 107 -11.564 -3.461 9.955 772 HG2 LYS 107 1HG LYS 107 -12.495 -5.103 8.335 773 HG3 LYS 107 2HG LYS 107 -10.835 -5.247 7.709 774 HD2 LYS 107 1HD LYS 107 -9.977 -5.966 9.810 775 HD3 LYS 107 2HD LYS 107 -11.514 -5.635 10.641 776 HE2 LYS 107 1HE LYS 107 -11.143 -7.685 8.402 777 HE3 LYS 107 2HE LYS 107 -11.130 -8.063 10.125 778 HZ1 LYS 107 3HZ LYS 107 -13.376 -7.614 8.431 779 HZ2 LYS 107 1HZ LYS 107 -13.312 -8.236 9.976 780 HZ3 LYS 107 2HZ LYS 107 -13.427 -6.642 9.772 781 H CYS 108 H CYS 108 -12.758 -4.062 6.310 782 HA CYS 108 HA CYS 108 -10.394 -3.751 4.614 783 HB2 CYS 108 1HB CYS 108 -12.920 -5.407 4.144 784 HB3 CYS 108 2HB CYS 108 -11.459 -5.439 3.175 785 H MET 109 H MET 109 -13.973 -3.317 4.482 786 HA MET 109 HA MET 109 -14.078 -2.608 1.827 787 HB2 MET 109 1HB MET 109 -15.998 -1.452 3.916 788 HB3 MET 109 2HB MET 109 -16.276 -1.604 2.212 789 HG2 MET 109 1HG MET 109 -15.979 -3.896 4.158 790 HG3 MET 109 2HG MET 109 -17.459 -3.314 3.430 791 HE1 MET 109 3HE MET 109 -16.434 -4.231 -0.455 792 HE2 MET 109 1HE MET 109 -17.278 -2.996 0.510 793 HE3 MET 109 2HE MET 109 -15.520 -2.928 0.313 794 H LYS 110 H LYS 110 -14.153 -0.423 4.669 795 HA LYS 110 HA LYS 110 -13.970 2.119 3.591 796 HB2 LYS 110 1HB LYS 110 -14.382 1.616 5.943 797 HB3 LYS 110 2HB LYS 110 -12.798 0.822 6.046 798 HG2 LYS 110 1HG LYS 110 -12.441 2.769 7.180 799 HG3 LYS 110 2HG LYS 110 -11.716 3.072 5.611 800 HD2 LYS 110 1HD LYS 110 -12.828 5.014 5.896 801 HD3 LYS 110 2HD LYS 110 -14.096 4.091 5.062 802 HE2 LYS 110 1HE LYS 110 -15.463 4.138 6.932 803 HE3 LYS 110 2HE LYS 110 -14.169 3.588 7.974 804 HZ1 LYS 110 3HZ LYS 110 -13.381 5.984 7.931 805 HZ2 LYS 110 1HZ LYS 110 -14.847 6.340 7.244 806 HZ3 LYS 110 2HZ LYS 110 -14.790 5.656 8.720 807 H THR 111 H THR 111 -11.194 0.145 4.672 808 HA THR 111 HA THR 111 -9.139 1.638 3.608 809 HB THR 111 HB THR 111 -9.325 -1.383 3.857 810 HG1 THR 111 1HG THR 111 -9.341 -0.616 5.845 811 HG21 THR 111 3HG2 THR 111 -7.450 -0.954 2.350 812 HG22 THR 111 1HG2 THR 111 -6.855 0.335 3.418 813 HG23 THR 111 2HG2 THR 111 -6.841 -1.358 3.961 814 H ILE 112 H ILE 112 -11.193 -0.589 1.593 815 HA ILE 112 HA ILE 112 -9.580 -0.245 -0.742 816 HB ILE 112 HB ILE 112 -12.584 -0.755 -0.480 817 HG12 ILE 112 1HG1 ILE 112 -10.303 -2.658 -1.151 818 HG13 ILE 112 2HG1 ILE 112 -10.982 -2.445 0.454 819 HG21 ILE 112 1HG2 ILE 112 -12.612 -1.506 -2.777 820 HG22 ILE 112 2HG2 ILE 112 -12.156 0.187 -2.694 821 HG23 ILE 112 3HG2 ILE 112 -10.903 -1.038 -2.986 822 HD11 ILE 112 3HD1 ILE 112 -11.917 -4.393 -0.476 823 HD12 ILE 112 1HD1 ILE 112 -13.200 -3.180 -0.344 824 HD13 ILE 112 2HD1 ILE 112 -12.474 -3.553 -1.925 825 H ASP 113 H ASP 113 -12.355 1.575 0.548 826 HA ASP 113 HA ASP 113 -12.541 3.446 -1.541 827 HB2 ASP 113 1HB ASP 113 -13.348 3.807 1.372 828 HB3 ASP 113 2HB ASP 113 -13.871 4.806 0.032 829 H VAL 114 H VAL 114 -10.732 3.678 1.541 830 HA VAL 114 HA VAL 114 -9.623 6.280 1.050 831 HB VAL 114 HB VAL 114 -8.763 4.034 2.925 832 HG11 VAL 114 1HG1 VAL 114 -7.574 5.722 4.250 833 HG12 VAL 114 2HG1 VAL 114 -6.915 5.700 2.615 834 HG13 VAL 114 3HG1 VAL 114 -8.005 6.997 3.121 835 HG21 VAL 114 3HG2 VAL 114 -11.063 4.908 3.376 836 HG22 VAL 114 1HG2 VAL 114 -9.940 5.379 4.650 837 HG23 VAL 114 2HG2 VAL 114 -10.423 6.558 3.407 838 H ALA 115 H ALA 115 -8.249 2.944 0.542 839 HA ALA 115 HA ALA 115 -5.735 3.786 -0.468 840 HB1 ALA 115 1HB ALA 115 -5.562 1.530 -1.378 841 HB2 ALA 115 2HB ALA 115 -6.332 1.431 0.216 842 HB3 ALA 115 3HB ALA 115 -7.321 1.287 -1.243 843 H MET 116 H MET 116 -8.873 3.156 -2.134 844 HA MET 116 HA MET 116 -7.684 3.609 -4.696 845 HB2 MET 116 1HB MET 116 -9.681 3.248 -5.679 846 HB3 MET 116 2HB MET 116 -9.813 2.265 -4.244 847 HG2 MET 116 1HG MET 116 -11.745 3.316 -3.724 848 HG3 MET 116 2HG MET 116 -10.943 4.841 -3.607 849 HE1 MET 116 3HE MET 116 -11.564 2.400 -6.675 850 HE2 MET 116 1HE MET 116 -13.125 2.474 -5.818 851 HE3 MET 116 2HE MET 116 -12.955 3.193 -7.437 852 H CYS 117 H CYS 117 -9.352 5.720 -2.356 853 HA CYS 117 HA CYS 117 -9.453 8.035 -3.921 854 HB2 CYS 117 1HB CYS 117 -10.571 8.138 -1.883 855 HB3 CYS 117 2HB CYS 117 -9.216 7.537 -0.953 856 H PHE 118 H PHE 118 -6.767 6.732 -1.856 857 HA PHE 118 HA PHE 118 -4.924 8.745 -2.310 858 HD1 PHE 118 HD1 PHE 118 -2.111 7.142 -3.791 859 HD2 PHE 118 HD2 PHE 118 -2.963 7.478 0.462 860 HE1 PHE 118 HE1 PHE 118 0.208 7.685 -3.338 861 HE2 PHE 118 HE2 PHE 118 -0.631 8.099 0.860 862 HZ PHE 118 HZ PHE 118 1.006 8.260 -1.059 863 HB2 PHE 118 1HB PHE 118 -4.636 6.674 -0.868 864 HB3 PHE 118 2HB PHE 118 -4.168 5.800 -2.308 865 H LYS 119 H LYS 119 -5.398 5.818 -4.341 866 HA LYS 119 HA LYS 119 -3.514 6.650 -6.278 867 HB2 LYS 119 1HB LYS 119 -4.646 4.315 -6.011 868 HB3 LYS 119 2HB LYS 119 -5.830 4.975 -7.176 869 HG2 LYS 119 1HG LYS 119 -3.935 5.570 -8.693 870 HG3 LYS 119 2HG LYS 119 -2.794 4.926 -7.525 871 HD2 LYS 119 1HD LYS 119 -3.017 3.306 -9.258 872 HD3 LYS 119 2HD LYS 119 -3.725 2.650 -7.793 873 HE2 LYS 119 1HE LYS 119 -5.070 2.090 -9.784 874 HE3 LYS 119 2HE LYS 119 -5.973 3.065 -8.656 875 HZ1 LYS 119 3HZ LYS 119 -6.271 3.831 -10.919 876 HZ2 LYS 119 1HZ LYS 119 -5.652 5.005 -9.986 877 HZ3 LYS 119 2HZ LYS 119 -4.656 4.224 -11.008 878 H LYS 120 H LYS 120 -6.934 7.621 -5.919 879 HA LYS 120 HA LYS 120 -7.080 8.898 -8.496 880 HB2 LYS 120 1HB LYS 120 -8.715 9.121 -5.957 881 HB3 LYS 120 2HB LYS 120 -8.790 10.417 -7.140 882 HG2 LYS 120 1HG LYS 120 -10.549 8.984 -7.691 883 HG3 LYS 120 2HG LYS 120 -9.301 8.734 -8.923 884 HD2 LYS 120 1HD LYS 120 -8.618 6.625 -7.731 885 HD3 LYS 120 2HD LYS 120 -9.877 6.963 -6.521 886 HE2 LYS 120 1HE LYS 120 -10.857 5.406 -7.958 887 HE3 LYS 120 2HE LYS 120 -11.567 6.975 -8.388 888 HZ1 LYS 120 3HZ LYS 120 -10.982 5.646 -10.281 889 HZ2 LYS 120 1HZ LYS 120 -10.134 7.048 -10.283 890 HZ3 LYS 120 2HZ LYS 120 -9.385 5.614 -9.830 891 H GLU 121 H GLU 121 -6.168 10.059 -5.208 892 HA GLU 121 HA GLU 121 -5.772 12.828 -5.887 893 HB2 GLU 121 1HB GLU 121 -5.051 11.033 -3.607 894 HB3 GLU 121 2HB GLU 121 -4.472 12.698 -3.654 895 HG2 GLU 121 1HG GLU 121 -7.422 11.936 -3.827 896 HG3 GLU 121 2HG GLU 121 -6.574 12.269 -2.320 897 H ILE 122 H ILE 122 -3.733 10.064 -6.568 898 HA ILE 122 HA ILE 122 -1.246 11.373 -6.788 899 HB ILE 122 HB ILE 122 -2.452 9.399 -8.719 900 HG12 ILE 122 1HG1 ILE 122 -2.679 8.535 -6.443 901 HG13 ILE 122 2HG1 ILE 122 -1.747 7.548 -7.496 902 HG21 ILE 122 1HG2 ILE 122 -0.328 10.214 -9.543 903 HG22 ILE 122 2HG2 ILE 122 0.427 9.931 -7.955 904 HG23 ILE 122 3HG2 ILE 122 -0.112 8.546 -8.926 905 HD11 ILE 122 3HD1 ILE 122 -0.701 7.462 -5.398 906 HD12 ILE 122 1HD1 ILE 122 0.353 8.498 -6.327 907 HD13 ILE 122 2HD1 ILE 122 -0.780 9.226 -5.154 908 H HIS 123 H HIS 123 -4.228 11.724 -8.696 909 HA HIS 123 HA HIS 123 -3.290 13.153 -10.945 910 HD1 HIS 123 HD1 HIS 123 -7.068 13.215 -12.553 911 HD2 HIS 123 HD2 HIS 123 -4.995 10.283 -10.329 912 HE1 HIS 123 HE1 HIS 123 -7.637 10.932 -13.624 913 HE2 HIS 123 HE2 HIS 123 -6.407 9.148 -12.254 914 HB2 HIS 123 1HB HIS 123 -5.906 13.215 -9.364 915 HB3 HIS 123 2HB HIS 123 -5.639 14.170 -10.780 916 H LYS 124 H LYS 124 -3.250 14.227 -7.524 917 HA LYS 124 HA LYS 124 -3.019 17.026 -8.555 918 HB2 LYS 124 1HB LYS 124 -3.888 17.772 -6.408 919 HB3 LYS 124 2HB LYS 124 -5.022 16.906 -7.401 920 HG2 LYS 124 1HG LYS 124 -5.439 16.245 -5.180 921 HG3 LYS 124 2HG LYS 124 -4.756 14.889 -6.016 922 HD2 LYS 124 1HD LYS 124 -3.794 14.850 -3.889 923 HD3 LYS 124 2HD LYS 124 -2.491 15.510 -4.855 924 HE2 LYS 124 1HE LYS 124 -4.535 17.187 -3.347 925 HE3 LYS 124 2HE LYS 124 -3.065 16.570 -2.590 926 HZ1 LYS 124 3HZ LYS 124 -3.143 18.495 -4.836 927 HZ2 LYS 124 1HZ LYS 124 -2.632 18.782 -3.311 928 HZ3 LYS 124 2HZ LYS 124 -1.771 17.790 -4.255 929 H LEU 125 H LEU 125 -1.076 14.687 -8.074 930 HA LEU 125 HA LEU 125 0.951 16.160 -6.443 931 HG LEU 125 HG LEU 125 -0.512 13.596 -5.550 932 HB2 LEU 125 1HB LEU 125 0.872 13.369 -7.676 933 HB3 LEU 125 2HB LEU 125 2.220 14.016 -6.781 934 HD11 LEU 125 1HD1 LEU 125 0.182 11.481 -4.961 935 HD12 LEU 125 2HD1 LEU 125 0.953 11.584 -6.509 936 HD13 LEU 125 3HD1 LEU 125 1.936 11.879 -5.082 937 HD21 LEU 125 3HD2 LEU 125 0.943 15.315 -4.420 938 HD22 LEU 125 1HD2 LEU 125 0.714 13.904 -3.419 939 HD23 LEU 125 2HD2 LEU 125 2.244 14.120 -4.287 940 H ASN 126 H ASN 126 0.368 14.586 -9.567 941 HA ASN 126 HA ASN 126 0.931 15.201 -11.667 942 HB2 ASN 126 1HB ASN 126 3.317 16.833 -10.837 943 HB3 ASN 126 2HB ASN 126 2.409 16.910 -12.322 944 HD21 ASN 126 2HD2 ASN 126 -0.233 17.018 -10.477 945 HD22 ASN 126 1HD2 ASN 126 -0.176 18.658 -9.913 946 H TRP 127 H TRP 127 3.168 14.248 -9.339 947 HA TRP 127 HA TRP 127 4.934 12.906 -11.309 948 HD1 TRP 127 HD1 TRP 127 4.394 15.072 -7.626 949 HE1 TRP 127 HE1 TRP 127 4.126 14.424 -5.177 950 HE3 TRP 127 HE3 TRP 127 7.026 10.666 -7.629 951 HZ2 TRP 127 HZ2 TRP 127 4.654 12.156 -3.518 952 HZ3 TRP 127 HZ3 TRP 127 7.338 9.442 -5.533 953 HH2 TRP 127 HH2 TRP 127 6.052 10.032 -3.495 954 HB2 TRP 127 1HB TRP 127 6.409 12.368 -9.473 955 HB3 TRP 127 2HB TRP 127 6.078 14.082 -9.551 956 H VAL 128 H VAL 128 5.620 10.631 -10.186 957 HA VAL 128 HA VAL 128 3.163 9.036 -9.720 958 HB VAL 128 HB VAL 128 5.407 8.048 -11.523 959 HG11 VAL 128 1HG1 VAL 128 3.907 6.421 -10.278 960 HG12 VAL 128 2HG1 VAL 128 2.521 7.082 -11.155 961 HG13 VAL 128 3HG1 VAL 128 3.849 6.256 -12.014 962 HG21 VAL 128 3HG2 VAL 128 4.236 9.987 -12.632 963 HG22 VAL 128 1HG2 VAL 128 4.163 8.474 -13.480 964 HG23 VAL 128 2HG2 VAL 128 2.731 9.050 -12.564 965 HA PRO 129 HA PRO 129 6.288 7.963 -6.594 966 HB2 PRO 129 1HB PRO 129 4.118 6.413 -5.350 967 HB3 PRO 129 2HB PRO 129 5.035 7.794 -4.675 968 HG2 PRO 129 1HG PRO 129 2.380 7.955 -5.410 969 HG3 PRO 129 2HG PRO 129 3.523 9.332 -5.374 970 HD2 PRO 129 1HD PRO 129 2.562 7.706 -7.709 971 HD3 PRO 129 2HD PRO 129 2.902 9.460 -7.595 972 H ASN 130 H ASN 130 7.220 5.953 -6.017 973 HA ASN 130 HA ASN 130 7.083 3.780 -7.896 974 HB2 ASN 130 1HB ASN 130 8.056 3.926 -5.004 975 HB3 ASN 130 2HB ASN 130 8.173 2.477 -6.000 976 HD21 ASN 130 2HD2 ASN 130 10.214 4.603 -4.957 977 HD22 ASN 130 1HD2 ASN 130 11.108 5.060 -6.391 978 H MET 131 H MET 131 6.284 1.600 -7.379 979 HA MET 131 HA MET 131 3.567 1.602 -6.492 980 HB2 MET 131 1HB MET 131 5.624 -0.572 -7.013 981 HB3 MET 131 2HB MET 131 4.136 -0.940 -6.144 982 HG2 MET 131 1HG MET 131 2.826 0.099 -8.041 983 HG3 MET 131 2HG MET 131 4.335 0.227 -8.943 984 HE1 MET 131 3HE MET 131 3.399 -2.905 -6.533 985 HE2 MET 131 1HE MET 131 1.900 -2.087 -7.035 986 HE3 MET 131 2HE MET 131 2.277 -3.731 -7.611 987 H ASP 132 H ASP 132 6.650 0.781 -4.944 988 HA ASP 132 HA ASP 132 5.778 -0.178 -2.488 989 HB2 ASP 132 1HB ASP 132 8.172 1.665 -2.909 990 HB3 ASP 132 2HB ASP 132 7.920 0.557 -1.572 991 H LEU 133 H LEU 133 6.679 3.264 -3.290 992 HA LEU 133 HA LEU 133 6.035 4.550 -1.052 993 HG LEU 133 HG LEU 133 6.608 7.326 -2.154 994 HB2 LEU 133 1HB LEU 133 6.200 5.060 -3.958 995 HB3 LEU 133 2HB LEU 133 5.063 6.121 -3.181 996 HD11 LEU 133 1HD1 LEU 133 8.526 5.011 -1.938 997 HD12 LEU 133 2HD1 LEU 133 8.892 6.706 -1.504 998 HD13 LEU 133 3HD1 LEU 133 7.616 5.853 -0.643 999 HD21 LEU 133 3HD2 LEU 133 7.183 7.368 -4.579 1000 HD22 LEU 133 1HD2 LEU 133 8.550 7.758 -3.558 1001 HD23 LEU 133 2HD2 LEU 133 8.438 6.148 -4.280 1002 H VAL 134 H VAL 134 3.612 3.913 -3.684 1003 HA VAL 134 HA VAL 134 1.470 5.104 -2.251 1004 HB VAL 134 HB VAL 134 1.386 2.936 -4.401 1005 HG11 VAL 134 1HG1 VAL 134 -0.862 3.862 -4.929 1006 HG12 VAL 134 2HG1 VAL 134 -0.782 3.173 -3.304 1007 HG13 VAL 134 3HG1 VAL 134 -0.736 4.922 -3.500 1008 HG21 VAL 134 3HG2 VAL 134 0.971 4.889 -5.951 1009 HG22 VAL 134 1HG2 VAL 134 1.432 5.971 -4.616 1010 HG23 VAL 134 2HG2 VAL 134 2.593 4.806 -5.296 1011 H ILE 135 H ILE 135 2.721 1.768 -2.163 1012 HA ILE 135 HA ILE 135 0.399 0.709 -0.796 1013 HB ILE 135 HB ILE 135 3.200 -0.407 -1.319 1014 HG12 ILE 135 1HG1 ILE 135 0.538 -1.360 -2.450 1015 HG13 ILE 135 2HG1 ILE 135 1.398 -0.041 -3.208 1016 HG21 ILE 135 1HG2 ILE 135 0.804 -1.599 0.136 1017 HG22 ILE 135 2HG2 ILE 135 2.004 -2.621 -0.686 1018 HG23 ILE 135 3HG2 ILE 135 2.525 -1.552 0.620 1019 HD11 ILE 135 3HD1 ILE 135 3.410 -1.521 -3.475 1020 HD12 ILE 135 1HD1 ILE 135 2.434 -2.877 -2.868 1021 HD13 ILE 135 2HD1 ILE 135 1.973 -2.046 -4.368 1022 H GLY 136 H GLY 136 3.781 1.246 0.245 1023 HA2 GLY 136 1HA GLY 136 3.778 0.884 2.886 1024 HA3 GLY 136 2HA GLY 136 4.604 2.270 2.161 1025 H GLU 137 H GLU 137 2.275 3.886 1.454 1026 HA GLU 137 HA GLU 137 1.828 5.129 3.994 1027 HB2 GLU 137 1HB GLU 137 0.152 5.476 1.475 1028 HB3 GLU 137 2HB GLU 137 0.232 6.565 2.861 1029 HG2 GLU 137 1HG GLU 137 2.329 5.986 0.786 1030 HG3 GLU 137 2HG GLU 137 1.532 7.496 1.151 1031 H VAL 138 H VAL 138 -0.551 3.268 1.907 1032 HA VAL 138 HA VAL 138 -2.587 3.440 3.787 1033 HB VAL 138 HB VAL 138 -2.670 2.863 1.380 1034 HG11 VAL 138 1HG1 VAL 138 -1.293 1.153 0.779 1035 HG12 VAL 138 2HG1 VAL 138 -1.793 0.089 2.133 1036 HG13 VAL 138 3HG1 VAL 138 -2.879 0.408 0.774 1037 HG21 VAL 138 3HG2 VAL 138 -4.697 1.562 1.628 1038 HG22 VAL 138 1HG2 VAL 138 -4.161 0.999 3.227 1039 HG23 VAL 138 2HG2 VAL 138 -4.549 2.711 2.964 1040 H LEU 139 H LEU 139 -0.115 1.062 3.341 1041 HA LEU 139 HA LEU 139 -0.787 -0.718 5.452 1042 HG LEU 139 HG LEU 139 0.928 -0.984 2.559 1043 HB2 LEU 139 1HB LEU 139 2.016 -0.060 4.473 1044 HB3 LEU 139 2HB LEU 139 1.567 -1.437 5.469 1045 HD11 LEU 139 1HD1 LEU 139 3.073 -1.962 3.037 1046 HD12 LEU 139 2HD1 LEU 139 2.342 -3.173 4.109 1047 HD13 LEU 139 3HD1 LEU 139 2.022 -3.204 2.366 1048 HD21 LEU 139 3HD2 LEU 139 -0.341 -3.051 4.336 1049 HD22 LEU 139 1HD2 LEU 139 -1.159 -1.736 3.495 1050 HD23 LEU 139 2HD2 LEU 139 -0.415 -3.015 2.549 1051 H ALA 140 H ALA 140 0.772 2.427 5.733 1052 HA ALA 140 HA ALA 140 1.484 1.951 8.550 1053 HB1 ALA 140 1HB ALA 140 2.973 3.375 7.308 1054 HB2 ALA 140 2HB ALA 140 1.633 4.346 6.658 1055 HB3 ALA 140 3HB ALA 140 2.022 4.456 8.364 1056 H GLU 141 H GLU 141 -1.069 3.602 6.628 1057 HA GLU 141 HA GLU 141 -2.105 4.885 8.996 1058 HB2 GLU 141 1HB GLU 141 -2.090 5.733 6.581 1059 HB3 GLU 141 2HB GLU 141 -3.497 4.710 6.318 1060 HG2 GLU 141 1HG GLU 141 -3.963 7.157 6.795 1061 HG3 GLU 141 2HG GLU 141 -4.819 6.006 7.825 1062 H VAL 142 H VAL 142 -3.035 2.075 7.104 1063 HA VAL 142 HA VAL 142 -5.405 1.324 8.502 1064 HB VAL 142 HB VAL 142 -3.341 -0.104 6.763 1065 HG11 VAL 142 1HG1 VAL 142 -4.493 -1.827 8.195 1066 HG12 VAL 142 2HG1 VAL 142 -6.062 -1.224 7.601 1067 HG13 VAL 142 3HG1 VAL 142 -4.889 -1.916 6.466 1068 HG21 VAL 142 3HG2 VAL 142 -6.229 0.711 6.222 1069 HG22 VAL 142 1HG2 VAL 142 -4.824 1.667 5.710 1070 HG23 VAL 142 2HG2 VAL 142 -5.072 0.036 5.064 Start of MODEL 14 1 HA SER 1 HA SER 1 26.324 -13.167 -7.043 2 HG SER 1 HG SER 1 26.564 -12.292 -10.690 3 H1 SER 1 H SER 1 25.010 -15.047 -7.615 4 HB2 SER 1 1HB SER 1 25.258 -11.466 -9.218 5 HB3 SER 1 2HB SER 1 26.817 -11.450 -8.414 6 HA PRO 2 HA PRO 2 22.920 -11.489 -4.828 7 HB2 PRO 2 1HB PRO 2 23.136 -8.846 -4.367 8 HB3 PRO 2 2HB PRO 2 24.304 -10.087 -3.846 9 HG2 PRO 2 1HG PRO 2 24.467 -8.343 -6.324 10 HG3 PRO 2 2HG PRO 2 25.732 -8.531 -5.068 11 HD2 PRO 2 1HD PRO 2 25.697 -9.973 -7.390 12 HD3 PRO 2 2HD PRO 2 26.307 -10.667 -5.864 13 H GLU 3 H GLU 3 21.692 -12.196 -6.695 14 HA GLU 3 HA GLU 3 20.664 -10.605 -8.719 15 HB2 GLU 3 1HB GLU 3 19.931 -13.229 -7.453 16 HB3 GLU 3 2HB GLU 3 18.714 -12.462 -8.416 17 HG2 GLU 3 1HG GLU 3 19.655 -13.687 -10.045 18 HG3 GLU 3 2HG GLU 3 20.625 -12.210 -10.244 19 H ILE 4 H ILE 4 18.700 -11.615 -5.881 20 HA ILE 4 HA ILE 4 17.178 -9.048 -6.056 21 HB ILE 4 HB ILE 4 15.132 -10.243 -5.612 22 HG12 ILE 4 1HG1 ILE 4 16.667 -12.820 -6.236 23 HG13 ILE 4 2HG1 ILE 4 16.157 -12.328 -4.616 24 HG21 ILE 4 1HG2 ILE 4 15.860 -9.539 -7.882 25 HG22 ILE 4 2HG2 ILE 4 16.531 -11.152 -8.161 26 HG23 ILE 4 3HG2 ILE 4 14.785 -10.936 -7.920 27 HD11 ILE 4 3HD1 ILE 4 14.363 -12.980 -6.971 28 HD12 ILE 4 1HD1 ILE 4 14.505 -13.828 -5.417 29 HD13 ILE 4 2HD1 ILE 4 13.786 -12.203 -5.477 30 H MET 5 H MET 5 19.322 -9.380 -4.424 31 HA MET 5 HA MET 5 18.632 -10.260 -1.713 32 HB2 MET 5 1HB MET 5 20.997 -8.726 -2.847 33 HB3 MET 5 2HB MET 5 20.853 -9.281 -1.180 34 HG2 MET 5 1HG MET 5 20.859 -11.101 -3.630 35 HG3 MET 5 2HG MET 5 22.250 -10.742 -2.604 36 HE1 MET 5 3HE MET 5 18.556 -12.335 -2.482 37 HE2 MET 5 1HE MET 5 19.698 -13.362 -3.375 38 HE3 MET 5 2HE MET 5 19.040 -13.904 -1.820 39 H LYS 6 H LYS 6 17.533 -9.020 -0.316 40 HA LYS 6 HA LYS 6 16.506 -7.243 0.691 41 HB2 LYS 6 1HB LYS 6 19.233 -6.198 -0.064 42 HB3 LYS 6 2HB LYS 6 18.129 -5.266 0.949 43 HG2 LYS 6 1HG LYS 6 18.112 -6.838 2.685 44 HG3 LYS 6 2HG LYS 6 18.704 -8.150 1.652 45 HD2 LYS 6 1HD LYS 6 20.897 -7.120 1.484 46 HD3 LYS 6 2HD LYS 6 20.363 -5.735 2.475 47 HE2 LYS 6 1HE LYS 6 19.981 -7.148 4.380 48 HE3 LYS 6 2HE LYS 6 20.143 -8.624 3.435 49 HZ1 LYS 6 3HZ LYS 6 22.393 -6.770 3.618 50 HZ2 LYS 6 1HZ LYS 6 22.116 -7.843 4.822 51 HZ3 LYS 6 2HZ LYS 6 22.397 -8.391 3.298 52 H ASN 7 H ASN 7 15.110 -7.503 -1.354 53 HA ASN 7 HA ASN 7 14.575 -4.738 -2.293 54 HB2 ASN 7 1HB ASN 7 14.055 -7.238 -3.955 55 HB3 ASN 7 2HB ASN 7 13.569 -5.593 -4.364 56 HD21 ASN 7 2HD2 ASN 7 16.319 -7.714 -3.887 57 HD22 ASN 7 1HD2 ASN 7 17.493 -6.777 -4.775 58 H LEU 8 H LEU 8 12.390 -4.299 -2.516 59 HA LEU 8 HA LEU 8 10.411 -5.709 -0.878 60 HG LEU 8 HG LEU 8 9.567 -2.104 -0.697 61 HB2 LEU 8 1HB LEU 8 10.588 -3.201 -2.536 62 HB3 LEU 8 2HB LEU 8 8.994 -3.855 -2.249 63 HD11 LEU 8 1HD1 LEU 8 9.013 -4.819 0.543 64 HD12 LEU 8 2HD1 LEU 8 8.815 -3.268 1.358 65 HD13 LEU 8 3HD1 LEU 8 7.845 -3.622 -0.073 66 HD21 LEU 8 3HD2 LEU 8 11.152 -2.463 1.134 67 HD22 LEU 8 1HD2 LEU 8 11.589 -4.039 0.444 68 HD23 LEU 8 2HD2 LEU 8 11.986 -2.565 -0.436 69 H SER 9 H SER 9 11.306 -7.615 -2.481 70 HA SER 9 HA SER 9 9.318 -7.999 -4.546 71 HG SER 9 HG SER 9 12.308 -7.519 -6.149 72 HB2 SER 9 1HB SER 9 12.168 -8.735 -4.073 73 HB3 SER 9 2HB SER 9 11.215 -9.346 -5.384 74 H ASN 10 H ASN 10 11.509 -10.220 -2.997 75 HA ASN 10 HA ASN 10 9.752 -12.185 -2.304 76 HB2 ASN 10 1HB ASN 10 11.955 -11.730 -0.273 77 HB3 ASN 10 2HB ASN 10 11.520 -13.177 -1.152 78 HD21 ASN 10 2HD2 ASN 10 13.362 -10.065 -1.351 79 HD22 ASN 10 1HD2 ASN 10 14.339 -10.584 -2.692 80 H ASN 11 H ASN 11 10.645 -9.407 -0.345 81 HA ASN 11 HA ASN 11 9.440 -10.250 2.132 82 HB2 ASN 11 1HB ASN 11 10.253 -7.473 1.150 83 HB3 ASN 11 2HB ASN 11 9.890 -7.923 2.803 84 HD21 ASN 11 2HD2 ASN 11 12.453 -6.836 1.809 85 HD22 ASN 11 1HD2 ASN 11 13.623 -8.055 2.220 86 H PHE 12 H PHE 12 8.510 -8.069 -0.523 87 HA PHE 12 HA PHE 12 6.134 -7.120 0.601 88 HD1 PHE 12 HD2 PHE 12 4.415 -6.062 0.071 89 HD2 PHE 12 HD1 PHE 12 7.062 -4.722 -3.083 90 HE1 PHE 12 HE2 PHE 12 3.687 -3.794 0.442 91 HE2 PHE 12 HE1 PHE 12 6.255 -2.435 -2.780 92 HZ PHE 12 HZ PHE 12 4.621 -1.919 -0.965 93 HB2 PHE 12 1HB PHE 12 7.620 -6.653 -1.698 94 HB3 PHE 12 2HB PHE 12 6.217 -7.435 -2.391 95 H GLY 13 H GLY 13 6.754 -9.704 -1.765 96 HA2 GLY 13 1HA GLY 13 4.040 -10.634 -1.904 97 HA3 GLY 13 2HA GLY 13 5.445 -11.568 -2.397 98 H LYS 14 H LYS 14 6.685 -11.304 0.416 99 HA LYS 14 HA LYS 14 5.572 -13.658 1.583 100 HB2 LYS 14 1HB LYS 14 7.716 -11.796 2.269 101 HB3 LYS 14 2HB LYS 14 6.700 -11.992 3.667 102 HG2 LYS 14 1HG LYS 14 6.865 -14.522 3.354 103 HG3 LYS 14 2HG LYS 14 8.103 -14.161 2.128 104 HD2 LYS 14 1HD LYS 14 9.424 -12.941 3.824 105 HD3 LYS 14 2HD LYS 14 8.170 -13.228 5.029 106 HE2 LYS 14 1HE LYS 14 9.929 -14.749 5.463 107 HE3 LYS 14 2HE LYS 14 8.533 -15.673 4.864 108 HZ1 LYS 14 3HZ LYS 14 10.607 -16.389 3.876 109 HZ2 LYS 14 1HZ LYS 14 9.628 -15.772 2.715 110 HZ3 LYS 14 2HZ LYS 14 10.912 -14.890 3.278 111 H ALA 15 H ALA 15 5.127 -10.169 2.466 112 HA ALA 15 HA ALA 15 3.298 -10.797 4.533 113 HB1 ALA 15 1HB ALA 15 4.512 -8.516 3.885 114 HB2 ALA 15 2HB ALA 15 3.019 -8.211 2.988 115 HB3 ALA 15 3HB ALA 15 2.990 -8.520 4.757 116 H MET 16 H MET 16 2.708 -10.133 1.066 117 HA MET 16 HA MET 16 -0.109 -10.354 1.300 118 HB2 MET 16 1HB MET 16 1.722 -9.821 -0.791 119 HB3 MET 16 2HB MET 16 0.908 -11.277 -1.308 120 HG2 MET 16 1HG MET 16 -0.208 -8.561 -0.591 121 HG3 MET 16 2HG MET 16 -0.387 -9.424 -2.128 122 HE1 MET 16 3HE MET 16 -3.442 -11.726 -1.476 123 HE2 MET 16 1HE MET 16 -2.516 -10.812 -2.708 124 HE3 MET 16 2HE MET 16 -1.720 -12.085 -1.732 125 H ASP 17 H ASP 17 2.404 -12.840 0.951 126 HA ASP 17 HA ASP 17 0.500 -14.976 0.430 127 HB2 ASP 17 1HB ASP 17 3.078 -14.770 -0.190 128 HB3 ASP 17 2HB ASP 17 3.343 -15.409 1.410 129 H GLN 18 H GLN 18 2.042 -13.700 3.330 130 HA GLN 18 HA GLN 18 0.920 -15.602 5.198 131 HB2 GLN 18 1HB GLN 18 1.624 -12.638 5.313 132 HB3 GLN 18 2HB GLN 18 0.882 -13.431 6.647 133 HG2 GLN 18 1HG GLN 18 3.586 -13.162 6.190 134 HG3 GLN 18 2HG GLN 18 2.828 -14.177 7.357 135 HE21 GLN 18 2HE2 GLN 18 4.508 -14.201 4.284 136 HE22 GLN 18 1HE2 GLN 18 5.117 -15.852 4.601 137 H CYS 19 H CYS 19 -0.417 -12.466 3.793 138 HA CYS 19 HA CYS 19 -2.966 -12.826 4.928 139 HB2 CYS 19 1HB CYS 19 -2.267 -11.337 2.379 140 HB3 CYS 19 2HB CYS 19 -3.680 -11.094 3.404 141 H LYS 20 H LYS 20 -1.726 -13.977 1.762 142 HA LYS 20 HA LYS 20 -4.185 -14.999 0.817 143 HB2 LYS 20 1HB LYS 20 -2.048 -14.633 -0.510 144 HB3 LYS 20 2HB LYS 20 -1.380 -16.040 0.272 145 HG2 LYS 20 1HG LYS 20 -3.401 -17.316 -0.783 146 HG3 LYS 20 2HG LYS 20 -3.609 -15.878 -1.736 147 HD2 LYS 20 1HD LYS 20 -2.179 -17.195 -3.093 148 HD3 LYS 20 2HD LYS 20 -0.995 -16.202 -2.189 149 HE2 LYS 20 1HE LYS 20 -1.020 -18.102 -0.421 150 HE3 LYS 20 2HE LYS 20 -1.929 -19.063 -1.597 151 HZ1 LYS 20 3HZ LYS 20 0.793 -17.988 -1.956 152 HZ2 LYS 20 1HZ LYS 20 0.434 -19.528 -1.623 153 HZ3 LYS 20 2HZ LYS 20 -0.020 -18.906 -3.082 154 H ASP 21 H ASP 21 -2.485 -16.027 3.519 155 HA ASP 21 HA ASP 21 -3.842 -18.716 3.502 156 HB2 ASP 21 1HB ASP 21 -1.399 -18.974 3.570 157 HB3 ASP 21 2HB ASP 21 -1.331 -17.931 5.001 158 H GLU 22 H GLU 22 -2.634 -16.255 5.780 159 HA GLU 22 HA GLU 22 -4.182 -16.710 8.022 160 HB2 GLU 22 1HB GLU 22 -3.203 -14.152 6.724 161 HB3 GLU 22 2HB GLU 22 -4.128 -14.094 8.194 162 HG2 GLU 22 1HG GLU 22 -1.902 -16.069 8.256 163 HG3 GLU 22 2HG GLU 22 -1.373 -14.433 8.010 164 H LEU 23 H LEU 23 -5.050 -14.939 5.062 165 HA LEU 23 HA LEU 23 -7.891 -14.760 6.031 166 HG LEU 23 HG LEU 23 -5.598 -12.508 6.084 167 HB2 LEU 23 1HB LEU 23 -6.484 -13.213 3.847 168 HB3 LEU 23 2HB LEU 23 -8.121 -12.938 4.436 169 HD11 LEU 23 1HD1 LEU 23 -5.765 -10.914 4.278 170 HD12 LEU 23 2HD1 LEU 23 -7.467 -10.601 4.667 171 HD13 LEU 23 3HD1 LEU 23 -6.192 -10.118 5.804 172 HD21 LEU 23 3HD2 LEU 23 -7.121 -11.358 7.679 173 HD22 LEU 23 1HD2 LEU 23 -8.514 -11.865 6.706 174 HD23 LEU 23 2HD2 LEU 23 -7.501 -13.074 7.541 175 H SER 24 H SER 24 -5.988 -16.690 4.023 176 HA SER 24 HA SER 24 -6.400 -17.966 2.214 177 HG SER 24 HG SER 24 -8.045 -19.498 1.388 178 HB2 SER 24 1HB SER 24 -7.909 -18.890 3.937 179 HB3 SER 24 2HB SER 24 -9.232 -17.915 3.303 180 H LEU 25 H LEU 25 -6.079 -15.403 1.402 181 HA LEU 25 HA LEU 25 -8.314 -14.432 -0.119 182 HG LEU 25 HG LEU 25 -5.753 -12.327 1.357 183 HB2 LEU 25 1HB LEU 25 -5.342 -13.736 -0.379 184 HB3 LEU 25 2HB LEU 25 -6.600 -12.991 -1.289 185 HD11 LEU 25 1HD1 LEU 25 -6.011 -10.826 -0.660 186 HD12 LEU 25 2HD1 LEU 25 -7.731 -11.216 -0.767 187 HD13 LEU 25 3HD1 LEU 25 -7.120 -10.282 0.617 188 HD21 LEU 25 3HD2 LEU 25 -8.753 -12.715 0.990 189 HD22 LEU 25 1HD2 LEU 25 -7.762 -13.505 2.170 190 HD23 LEU 25 2HD2 LEU 25 -7.989 -11.756 2.280 191 HA PRO 26 HA PRO 26 -7.946 -17.299 -3.482 192 HB2 PRO 26 1HB PRO 26 -9.540 -16.122 -5.371 193 HB3 PRO 26 2HB PRO 26 -10.185 -16.886 -3.890 194 HG2 PRO 26 1HG PRO 26 -9.648 -13.969 -4.408 195 HG3 PRO 26 2HG PRO 26 -11.104 -14.693 -3.664 196 HD2 PRO 26 1HD PRO 26 -9.021 -13.573 -2.238 197 HD3 PRO 26 2HD PRO 26 -10.013 -14.901 -1.611 198 H ASP 27 H ASP 27 -6.972 -17.420 -5.587 199 HA ASP 27 HA ASP 27 -4.816 -15.491 -5.786 200 HB2 ASP 27 1HB ASP 27 -4.726 -17.956 -6.434 201 HB3 ASP 27 2HB ASP 27 -5.322 -17.437 -8.013 202 H SER 28 H SER 28 -7.882 -15.552 -7.058 203 HA SER 28 HA SER 28 -7.618 -13.905 -9.424 204 HG SER 28 HG SER 28 -10.705 -13.016 -7.654 205 HB2 SER 28 1HB SER 28 -9.948 -13.720 -9.430 206 HB3 SER 28 2HB SER 28 -9.693 -15.303 -8.744 207 H VAL 29 H VAL 29 -8.411 -13.318 -5.964 208 HA VAL 29 HA VAL 29 -8.207 -10.465 -6.394 209 HB VAL 29 HB VAL 29 -8.539 -11.990 -3.778 210 HG11 VAL 29 1HG1 VAL 29 -8.574 -9.020 -4.477 211 HG12 VAL 29 2HG1 VAL 29 -9.355 -9.646 -3.038 212 HG13 VAL 29 3HG1 VAL 29 -7.598 -9.828 -3.228 213 HG21 VAL 29 3HG2 VAL 29 -10.478 -12.162 -5.400 214 HG22 VAL 29 1HG2 VAL 29 -10.871 -11.245 -3.952 215 HG23 VAL 29 2HG2 VAL 29 -10.521 -10.404 -5.488 216 H VAL 30 H VAL 30 -5.905 -12.996 -5.197 217 HA VAL 30 HA VAL 30 -3.923 -11.094 -4.333 218 HB VAL 30 HB VAL 30 -3.641 -13.856 -5.567 219 HG11 VAL 30 1HG1 VAL 30 -1.530 -12.304 -4.025 220 HG12 VAL 30 2HG1 VAL 30 -1.430 -14.021 -4.483 221 HG13 VAL 30 3HG1 VAL 30 -1.497 -12.770 -5.721 222 HG21 VAL 30 3HG2 VAL 30 -3.078 -13.835 -2.687 223 HG22 VAL 30 1HG2 VAL 30 -4.723 -13.260 -3.029 224 HG23 VAL 30 2HG2 VAL 30 -4.175 -14.826 -3.635 225 H ALA 31 H ALA 31 -4.489 -12.645 -7.588 226 HA ALA 31 HA ALA 31 -2.341 -11.265 -8.849 227 HB1 ALA 31 1HB ALA 31 -3.385 -13.308 -9.799 228 HB2 ALA 31 2HB ALA 31 -4.905 -12.407 -10.014 229 HB3 ALA 31 3HB ALA 31 -3.459 -11.946 -10.948 230 H ASP 32 H ASP 32 -5.815 -10.558 -8.442 231 HA ASP 32 HA ASP 32 -5.774 -8.085 -9.903 232 HB2 ASP 32 1HB ASP 32 -7.404 -8.718 -7.394 233 HB3 ASP 32 2HB ASP 32 -7.638 -7.359 -8.461 234 H LEU 33 H LEU 33 -5.138 -8.620 -6.317 235 HA LEU 33 HA LEU 33 -4.656 -6.001 -5.780 236 HG LEU 33 HG LEU 33 -4.623 -7.462 -2.525 237 HB2 LEU 33 1HB LEU 33 -4.883 -8.264 -4.421 238 HB3 LEU 33 2HB LEU 33 -3.137 -8.279 -4.451 239 HD11 LEU 33 1HD1 LEU 33 -2.940 -5.656 -1.968 240 HD12 LEU 33 2HD1 LEU 33 -2.321 -7.306 -2.322 241 HD13 LEU 33 3HD1 LEU 33 -2.182 -5.982 -3.526 242 HD21 LEU 33 3HD2 LEU 33 -4.560 -4.811 -3.956 243 HD22 LEU 33 1HD2 LEU 33 -5.992 -5.865 -3.801 244 HD23 LEU 33 2HD2 LEU 33 -5.240 -5.159 -2.354 245 H TYR 34 H TYR 34 -2.441 -8.337 -7.210 246 HA TYR 34 HA TYR 34 -0.131 -6.573 -7.297 247 HD1 TYR 34 HD2 TYR 34 -0.664 -9.459 -5.927 248 HD2 TYR 34 HD1 TYR 34 2.368 -8.926 -8.911 249 HE1 TYR 34 HE2 TYR 34 0.879 -10.794 -4.546 250 HE2 TYR 34 HE1 TYR 34 3.971 -10.298 -7.518 251 HH TYR 34 HH TYR 34 3.030 -12.218 -4.849 252 HB2 TYR 34 1HB TYR 34 -0.990 -9.086 -8.727 253 HB3 TYR 34 2HB TYR 34 0.330 -8.163 -9.377 254 H ASN 35 H ASN 35 -3.028 -6.683 -9.347 255 HA ASN 35 HA ASN 35 -1.726 -5.071 -11.407 256 HB2 ASN 35 1HB ASN 35 -3.699 -5.270 -12.734 257 HB3 ASN 35 2HB ASN 35 -3.144 -6.876 -12.236 258 HD21 ASN 35 2HD2 ASN 35 -5.269 -7.780 -12.732 259 HD22 ASN 35 1HD2 ASN 35 -6.674 -7.283 -11.846 260 H PHE 36 H PHE 36 -3.487 -4.333 -8.596 261 HA PHE 36 HA PHE 36 -4.974 -2.113 -9.351 262 HD1 PHE 36 HD1 PHE 36 -6.916 -1.751 -7.738 263 HD2 PHE 36 HD2 PHE 36 -3.481 -0.584 -5.417 264 HE1 PHE 36 HE1 PHE 36 -8.313 -0.149 -6.423 265 HE2 PHE 36 HE2 PHE 36 -4.878 0.864 -4.023 266 HZ PHE 36 HZ PHE 36 -7.331 1.024 -4.455 267 HB2 PHE 36 1HB PHE 36 -4.791 -3.319 -7.047 268 HB3 PHE 36 2HB PHE 36 -3.329 -2.451 -6.775 269 H TRP 37 H TRP 37 -1.727 -1.956 -7.928 270 HA TRP 37 HA TRP 37 -1.459 0.845 -8.495 271 HD1 TRP 37 HD1 TRP 37 -0.123 -3.095 -7.141 272 HE1 TRP 37 HE1 TRP 37 -1.300 -4.071 -5.139 273 HE3 TRP 37 HE3 TRP 37 -0.997 1.214 -4.552 274 HZ2 TRP 37 HZ2 TRP 37 -2.488 -3.120 -2.644 275 HZ3 TRP 37 HZ3 TRP 37 -2.079 1.127 -2.285 276 HH2 TRP 37 HH2 TRP 37 -2.841 -1.036 -1.365 277 HB2 TRP 37 1HB TRP 37 0.989 -0.407 -7.486 278 HB3 TRP 37 2HB TRP 37 -0.040 0.784 -6.774 279 H LYS 38 H LYS 38 -1.601 -0.953 -10.885 280 HA LYS 38 HA LYS 38 1.141 -0.803 -12.031 281 HB2 LYS 38 1HB LYS 38 -1.443 -2.112 -12.950 282 HB3 LYS 38 2HB LYS 38 -0.043 -1.889 -14.014 283 HG2 LYS 38 1HG LYS 38 1.391 -3.131 -12.400 284 HG3 LYS 38 2HG LYS 38 -0.040 -3.464 -11.418 285 HD2 LYS 38 1HD LYS 38 -1.060 -4.632 -13.403 286 HD3 LYS 38 2HD LYS 38 0.405 -4.335 -14.323 287 HE2 LYS 38 1HE LYS 38 0.355 -5.943 -11.698 288 HE3 LYS 38 2HE LYS 38 0.191 -6.661 -13.303 289 HZ1 LYS 38 3HZ LYS 38 2.430 -6.783 -12.685 290 HZ2 LYS 38 1HZ LYS 38 2.357 -5.637 -13.845 291 HZ3 LYS 38 2HZ LYS 38 2.536 -5.183 -12.278 292 H ASP 39 H ASP 39 -1.921 -0.276 -13.692 293 HA ASP 39 HA ASP 39 -0.996 2.456 -14.424 294 HB2 ASP 39 1HB ASP 39 -1.105 0.386 -16.115 295 HB3 ASP 39 2HB ASP 39 -2.782 0.850 -16.255 296 H ASP 40 H ASP 40 -4.231 1.158 -15.138 297 HA ASP 40 HA ASP 40 -5.371 2.946 -13.051 298 HB2 ASP 40 1HB ASP 40 -4.944 4.235 -15.227 299 HB3 ASP 40 2HB ASP 40 -6.261 3.277 -15.904 300 H TYR 41 H TYR 41 -6.053 1.092 -12.003 301 HA TYR 41 HA TYR 41 -8.154 -0.533 -13.239 302 HD1 TYR 41 HD2 TYR 41 -7.414 -2.063 -9.739 303 HD2 TYR 41 HD1 TYR 41 -7.150 -3.724 -13.689 304 HE1 TYR 41 HE2 TYR 41 -8.710 -3.942 -8.960 305 HE2 TYR 41 HE1 TYR 41 -8.467 -5.699 -12.924 306 HH TYR 41 HH TYR 41 -9.371 -6.761 -11.193 307 HB2 TYR 41 1HB TYR 41 -5.947 -1.786 -13.126 308 HB3 TYR 41 2HB TYR 41 -5.781 -1.272 -11.459 309 H VAL 42 H VAL 42 -9.815 -1.037 -11.682 310 HA VAL 42 HA VAL 42 -9.633 0.082 -8.949 311 HB VAL 42 HB VAL 42 -11.693 0.559 -11.079 312 HG11 VAL 42 1HG1 VAL 42 -13.175 -0.624 -9.642 313 HG12 VAL 42 2HG1 VAL 42 -12.504 0.120 -8.193 314 HG13 VAL 42 3HG1 VAL 42 -13.449 1.091 -9.351 315 HG21 VAL 42 3HG2 VAL 42 -10.119 2.301 -10.255 316 HG22 VAL 42 1HG2 VAL 42 -11.811 2.739 -9.998 317 HG23 VAL 42 2HG2 VAL 42 -10.810 2.153 -8.635 318 H MET 43 H MET 43 -10.188 -1.363 -7.395 319 HA MET 43 HA MET 43 -10.694 -4.172 -8.107 320 HB2 MET 43 1HB MET 43 -10.336 -2.688 -5.479 321 HB3 MET 43 2HB MET 43 -10.566 -4.444 -5.573 322 HG2 MET 43 1HG MET 43 -8.574 -4.732 -6.880 323 HG3 MET 43 2HG MET 43 -8.350 -2.997 -7.006 324 HE1 MET 43 3HE MET 43 -7.677 -2.467 -2.925 325 HE2 MET 43 1HE MET 43 -8.376 -1.646 -4.361 326 HE3 MET 43 2HE MET 43 -9.269 -2.945 -3.552 327 H THR 44 H THR 44 -12.401 -5.425 -7.367 328 HA THR 44 HA THR 44 -14.830 -3.961 -6.491 329 HB THR 44 HB THR 44 -16.015 -5.716 -7.825 330 HG1 THR 44 1HG THR 44 -14.300 -6.639 -9.426 331 HG21 THR 44 3HG2 THR 44 -15.496 -4.759 -10.014 332 HG22 THR 44 1HG2 THR 44 -15.445 -3.479 -8.794 333 HG23 THR 44 2HG2 THR 44 -13.940 -4.149 -9.447 334 H ASP 45 H ASP 45 -12.609 -6.568 -5.632 335 HA ASP 45 HA ASP 45 -14.683 -7.905 -4.037 336 HB2 ASP 45 1HB ASP 45 -12.464 -8.930 -5.288 337 HB3 ASP 45 2HB ASP 45 -11.867 -8.796 -3.673 338 H ARG 46 H ARG 46 -14.824 -7.976 -1.875 339 HA ARG 46 HA ARG 46 -13.653 -5.908 -0.301 340 HE ARG 46 HE ARG 46 -17.205 -10.752 0.501 341 HB2 ARG 46 1HB ARG 46 -14.670 -6.925 1.618 342 HB3 ARG 46 2HB ARG 46 -15.786 -6.932 0.255 343 HG2 ARG 46 1HG ARG 46 -15.147 -9.355 -0.177 344 HG3 ARG 46 2HG ARG 46 -14.226 -9.315 1.335 345 HD2 ARG 46 1HD ARG 46 -16.208 -8.909 2.635 346 HD3 ARG 46 2HD ARG 46 -17.148 -8.501 1.208 347 HH11 ARG 46 2HH2 ARG 46 -16.265 -10.366 3.928 348 HH12 ARG 46 1HH2 ARG 46 -16.687 -11.994 4.334 349 HH21 ARG 46 2HH1 ARG 46 -17.820 -12.784 1.070 350 HH22 ARG 46 1HH1 ARG 46 -17.836 -13.319 2.728 351 H LEU 47 H LEU 47 -12.330 -9.425 -0.806 352 HA LEU 47 HA LEU 47 -10.799 -9.249 1.423 353 HG LEU 47 HG LEU 47 -10.574 -12.570 -0.342 354 HB2 LEU 47 1HB LEU 47 -10.005 -10.505 -1.211 355 HB3 LEU 47 2HB LEU 47 -9.402 -10.786 0.395 356 HD11 LEU 47 1HD1 LEU 47 -11.963 -13.051 1.563 357 HD12 LEU 47 2HD1 LEU 47 -10.604 -12.062 2.075 358 HD13 LEU 47 3HD1 LEU 47 -12.213 -11.307 1.864 359 HD21 LEU 47 3HD2 LEU 47 -11.951 -11.467 -1.882 360 HD22 LEU 47 1HD2 LEU 47 -12.689 -12.812 -1.036 361 HD23 LEU 47 2HD2 LEU 47 -13.111 -11.115 -0.555 362 H ALA 48 H ALA 48 -10.175 -7.543 -1.719 363 HA ALA 48 HA ALA 48 -7.329 -7.289 -1.599 364 HB1 ALA 48 1HB ALA 48 -8.567 -6.421 -3.462 365 HB2 ALA 48 2HB ALA 48 -9.552 -5.360 -2.421 366 HB3 ALA 48 3HB ALA 48 -7.812 -5.062 -2.595 367 H GLY 49 H GLY 49 -9.853 -5.285 0.035 368 HA2 GLY 49 1HA GLY 49 -7.923 -3.696 1.396 369 HA3 GLY 49 2HA GLY 49 -9.632 -3.794 1.778 370 H CYS 50 H CYS 50 -9.316 -6.833 2.132 371 HA CYS 50 HA CYS 50 -8.662 -6.813 4.964 372 HB2 CYS 50 1HB CYS 50 -9.229 -9.174 3.088 373 HB3 CYS 50 2HB CYS 50 -9.100 -9.203 4.844 374 H ALA 51 H ALA 51 -7.093 -7.968 1.955 375 HA ALA 51 HA ALA 51 -4.773 -9.051 3.254 376 HB1 ALA 51 1HB ALA 51 -5.465 -8.309 0.407 377 HB2 ALA 51 2HB ALA 51 -3.788 -8.609 0.884 378 HB3 ALA 51 3HB ALA 51 -4.982 -9.881 1.091 379 H ILE 52 H ILE 52 -5.323 -5.791 1.747 380 HA ILE 52 HA ILE 52 -2.881 -4.525 2.484 381 HB ILE 52 HB ILE 52 -5.725 -3.459 2.369 382 HG12 ILE 52 1HG1 ILE 52 -3.520 -3.214 0.289 383 HG13 ILE 52 2HG1 ILE 52 -4.744 -4.467 0.219 384 HG21 ILE 52 1HG2 ILE 52 -3.068 -1.987 2.412 385 HG22 ILE 52 2HG2 ILE 52 -4.624 -1.231 2.049 386 HG23 ILE 52 3HG2 ILE 52 -4.324 -1.890 3.656 387 HD11 ILE 52 3HD1 ILE 52 -5.138 -1.482 -0.156 388 HD12 ILE 52 1HD1 ILE 52 -5.560 -2.831 -1.209 389 HD13 ILE 52 2HD1 ILE 52 -6.492 -2.563 0.253 390 H ASN 53 H ASN 53 -5.948 -4.867 4.497 391 HA ASN 53 HA ASN 53 -4.921 -3.653 6.842 392 HB2 ASN 53 1HB ASN 53 -7.126 -5.640 6.314 393 HB3 ASN 53 2HB ASN 53 -6.545 -5.478 7.951 394 HD21 ASN 53 2HD2 ASN 53 -8.269 -3.754 5.386 395 HD22 ASN 53 1HD2 ASN 53 -8.634 -2.363 6.385 396 H CYS 54 H CYS 54 -4.320 -6.899 5.574 397 HA CYS 54 HA CYS 54 -3.294 -7.884 8.165 398 HB2 CYS 54 1HB CYS 54 -4.358 -9.588 7.116 399 HB3 CYS 54 2HB CYS 54 -4.007 -9.014 5.493 400 H LEU 55 H LEU 55 -2.100 -6.675 5.064 401 HA LEU 55 HA LEU 55 0.707 -7.057 5.368 402 HG LEU 55 HG LEU 55 1.532 -6.171 2.984 403 HB2 LEU 55 1HB LEU 55 -1.207 -5.363 3.826 404 HB3 LEU 55 2HB LEU 55 0.334 -4.605 4.146 405 HD11 LEU 55 1HD1 LEU 55 0.326 -8.284 3.431 406 HD12 LEU 55 2HD1 LEU 55 -1.014 -7.712 2.406 407 HD13 LEU 55 3HD1 LEU 55 0.593 -8.011 1.698 408 HD21 LEU 55 3HD2 LEU 55 -0.909 -5.110 1.653 409 HD22 LEU 55 1HD2 LEU 55 0.730 -4.445 1.653 410 HD23 LEU 55 2HD2 LEU 55 0.392 -5.906 0.721 411 H ALA 56 H ALA 56 -1.513 -4.585 6.611 412 HA ALA 56 HA ALA 56 0.488 -2.679 7.355 413 HB1 ALA 56 1HB ALA 56 -1.919 -2.128 6.859 414 HB2 ALA 56 2HB ALA 56 -2.366 -2.885 8.403 415 HB3 ALA 56 3HB ALA 56 -1.310 -1.451 8.384 416 H THR 57 H THR 57 -0.812 -5.595 8.857 417 HA THR 57 HA THR 57 0.286 -4.941 11.505 418 HB THR 57 HB THR 57 -0.983 -6.869 12.255 419 HG1 THR 57 1HG THR 57 -2.534 -7.748 10.708 420 HG21 THR 57 3HG2 THR 57 -3.192 -5.966 12.082 421 HG22 THR 57 1HG2 THR 57 -2.097 -4.581 12.008 422 HG23 THR 57 2HG2 THR 57 -2.845 -5.169 10.535 423 H LYS 58 H LYS 58 1.581 -5.833 8.571 424 HA LYS 58 HA LYS 58 3.469 -7.660 9.825 425 HB2 LYS 58 1HB LYS 58 1.487 -8.246 7.775 426 HB3 LYS 58 2HB LYS 58 3.033 -8.360 7.041 427 HG2 LYS 58 1HG LYS 58 3.745 -10.079 8.475 428 HG3 LYS 58 2HG LYS 58 2.528 -9.735 9.701 429 HD2 LYS 58 1HD LYS 58 1.606 -10.507 6.925 430 HD3 LYS 58 2HD LYS 58 2.311 -11.752 7.938 431 HE2 LYS 58 1HE LYS 58 -0.303 -11.324 7.905 432 HE3 LYS 58 2HE LYS 58 0.562 -11.892 9.333 433 HZ1 LYS 58 3HZ LYS 58 0.476 -9.779 10.283 434 HZ2 LYS 58 1HZ LYS 58 -0.199 -9.061 8.916 435 HZ3 LYS 58 2HZ LYS 58 -1.024 -10.167 9.774 436 H LEU 59 H LEU 59 3.715 -4.879 9.641 437 HA LEU 59 HA LEU 59 5.130 -4.073 7.284 438 HG LEU 59 HG LEU 59 3.203 -2.935 9.729 439 HB2 LEU 59 1HB LEU 59 5.635 -2.984 10.078 440 HB3 LEU 59 2HB LEU 59 5.901 -2.161 8.535 441 HD11 LEU 59 1HD1 LEU 59 2.824 -0.568 10.094 442 HD12 LEU 59 2HD1 LEU 59 4.265 -1.114 10.965 443 HD13 LEU 59 3HD1 LEU 59 4.433 -0.188 9.456 444 HD21 LEU 59 3HD2 LEU 59 2.282 -1.461 7.949 445 HD22 LEU 59 1HD2 LEU 59 3.866 -1.454 7.155 446 HD23 LEU 59 2HD2 LEU 59 2.974 -2.975 7.339 447 H ASP 60 H ASP 60 5.862 -6.024 9.993 448 HA ASP 60 HA ASP 60 8.758 -5.806 10.038 449 HB2 ASP 60 1HB ASP 60 6.742 -6.751 11.744 450 HB3 ASP 60 2HB ASP 60 7.460 -8.232 11.131 451 H VAL 61 H VAL 61 6.642 -7.214 7.876 452 HA VAL 61 HA VAL 61 8.591 -9.251 6.952 453 HB VAL 61 HB VAL 61 6.001 -9.680 7.883 454 HG11 VAL 61 1HG1 VAL 61 4.970 -8.651 6.073 455 HG12 VAL 61 2HG1 VAL 61 5.723 -9.853 4.971 456 HG13 VAL 61 3HG1 VAL 61 4.569 -10.355 6.249 457 HG21 VAL 61 3HG2 VAL 61 6.204 -11.942 6.737 458 HG22 VAL 61 1HG2 VAL 61 7.419 -11.224 5.669 459 HG23 VAL 61 2HG2 VAL 61 7.799 -11.473 7.395 460 H VAL 62 H VAL 62 6.102 -6.777 6.044 461 HA VAL 62 HA VAL 62 6.946 -6.683 3.291 462 HB VAL 62 HB VAL 62 6.264 -4.159 4.858 463 HG11 VAL 62 1HG1 VAL 62 6.014 -5.034 1.939 464 HG12 VAL 62 2HG1 VAL 62 5.296 -3.529 2.581 465 HG13 VAL 62 3HG1 VAL 62 7.042 -3.752 2.604 466 HG21 VAL 62 3HG2 VAL 62 3.975 -4.364 4.442 467 HG22 VAL 62 1HG2 VAL 62 4.166 -5.868 3.486 468 HG23 VAL 62 2HG2 VAL 62 4.414 -5.848 5.243 469 H ASP 63 H ASP 63 8.352 -5.036 6.221 470 HA ASP 63 HA ASP 63 10.845 -4.784 4.694 471 HB2 ASP 63 1HB ASP 63 9.611 -2.639 4.538 472 HB3 ASP 63 2HB ASP 63 9.729 -2.477 6.292 473 HA PRO 64 HA PRO 64 11.828 -6.525 8.793 474 HB2 PRO 64 1HB PRO 64 13.629 -8.401 7.929 475 HB3 PRO 64 2HB PRO 64 11.865 -8.676 8.017 476 HG2 PRO 64 1HG PRO 64 13.530 -7.894 5.604 477 HG3 PRO 64 2HG PRO 64 12.273 -9.163 5.708 478 HD2 PRO 64 1HD PRO 64 11.751 -6.686 4.718 479 HD3 PRO 64 2HD PRO 64 10.537 -7.572 5.675 480 H ASP 65 H ASP 65 13.449 -4.800 6.322 481 HA ASP 65 HA ASP 65 16.092 -4.501 7.441 482 HB2 ASP 65 1HB ASP 65 15.299 -3.877 5.128 483 HB3 ASP 65 2HB ASP 65 14.368 -2.582 5.842 484 H GLY 66 H GLY 66 12.919 -2.883 7.830 485 HA2 GLY 66 1HA GLY 66 12.006 -2.421 9.917 486 HA3 GLY 66 2HA GLY 66 13.611 -2.212 10.626 487 H ASN 67 H ASN 67 12.060 -0.805 7.698 488 HA ASN 67 HA ASN 67 12.603 1.932 8.761 489 HB2 ASN 67 1HB ASN 67 12.080 1.052 5.887 490 HB3 ASN 67 2HB ASN 67 12.428 2.673 6.434 491 HD21 ASN 67 2HD2 ASN 67 13.694 -0.510 5.930 492 HD22 ASN 67 1HD2 ASN 67 15.403 -0.158 6.211 493 H LEU 68 H LEU 68 10.223 -0.116 7.068 494 HA LEU 68 HA LEU 68 8.055 1.806 7.175 495 HG LEU 68 HG LEU 68 6.825 1.129 5.090 496 HB2 LEU 68 1HB LEU 68 8.477 -0.487 5.737 497 HB3 LEU 68 2HB LEU 68 7.495 -1.143 7.014 498 HD11 LEU 68 1HD1 LEU 68 5.101 -0.354 4.239 499 HD12 LEU 68 2HD1 LEU 68 6.690 -1.136 4.149 500 HD13 LEU 68 3HD1 LEU 68 5.554 -1.604 5.437 501 HD21 LEU 68 3HD2 LEU 68 4.468 0.960 6.076 502 HD22 LEU 68 1HD2 LEU 68 5.236 0.149 7.456 503 HD23 LEU 68 2HD2 LEU 68 5.672 1.818 7.034 504 H HIS 69 H HIS 69 6.903 2.299 8.968 505 HA HIS 69 HA HIS 69 6.342 0.228 10.951 506 HD1 HIS 69 HD1 HIS 69 8.643 -0.969 12.260 507 HD2 HIS 69 HD2 HIS 69 10.071 2.979 11.614 508 HE1 HIS 69 HE1 HIS 69 11.177 -1.098 12.178 509 HE2 HIS 69 HE2 HIS 69 12.067 1.276 11.783 510 HB2 HIS 69 1HB HIS 69 7.562 2.825 11.991 511 HB3 HIS 69 2HB HIS 69 7.015 1.459 12.915 512 H HIS 70 H HIS 70 4.822 1.206 12.618 513 HA HIS 70 HA HIS 70 2.479 2.164 11.462 514 HD1 HIS 70 HD1 HIS 70 -0.118 2.517 13.667 515 HD2 HIS 70 HD2 HIS 70 3.355 4.344 15.251 516 HE1 HIS 70 HE1 HIS 70 -0.901 4.667 14.874 517 HE2 HIS 70 HE2 HIS 70 1.225 5.768 15.830 518 HB2 HIS 70 1HB HIS 70 2.227 1.101 13.526 519 HB3 HIS 70 2HB HIS 70 3.621 1.922 14.234 520 H GLY 71 H GLY 71 1.709 4.062 10.818 521 HA2 GLY 71 1HA GLY 71 1.569 6.257 10.320 522 HA3 GLY 71 2HA GLY 71 2.294 6.597 11.893 523 H ASN 72 H ASN 72 4.348 4.648 9.885 524 HA ASN 72 HA ASN 72 6.167 6.963 9.500 525 HB2 ASN 72 1HB ASN 72 6.384 5.517 11.670 526 HB3 ASN 72 2HB ASN 72 6.913 4.242 10.598 527 HD21 ASN 72 2HD2 ASN 72 9.091 4.313 9.699 528 HD22 ASN 72 1HD2 ASN 72 10.168 5.610 10.218 529 H ALA 73 H ALA 73 5.350 6.696 7.330 530 HA ALA 73 HA ALA 73 6.545 4.542 5.704 531 HB1 ALA 73 1HB ALA 73 4.396 5.233 4.966 532 HB2 ALA 73 2HB ALA 73 4.741 6.928 5.266 533 HB3 ALA 73 3HB ALA 73 5.524 6.129 3.910 534 H LYS 74 H LYS 74 7.758 7.275 7.276 535 HA LYS 74 HA LYS 74 8.866 8.764 5.121 536 HB2 LYS 74 1HB LYS 74 8.670 9.169 7.922 537 HB3 LYS 74 2HB LYS 74 10.389 9.005 7.656 538 HG2 LYS 74 1HG LYS 74 10.240 11.242 7.230 539 HG3 LYS 74 2HG LYS 74 9.929 10.664 5.602 540 HD2 LYS 74 1HD LYS 74 8.098 12.030 5.767 541 HD3 LYS 74 2HD LYS 74 7.372 10.621 6.605 542 HE2 LYS 74 1HE LYS 74 7.988 11.557 8.762 543 HE3 LYS 74 2HE LYS 74 8.884 12.881 8.017 544 HZ1 LYS 74 3HZ LYS 74 6.011 12.525 7.488 545 HZ2 LYS 74 1HZ LYS 74 6.556 13.343 8.820 546 HZ3 LYS 74 2HZ LYS 74 6.936 13.892 7.330 547 H ASP 75 H ASP 75 10.661 6.732 7.486 548 HA ASP 75 HA ASP 75 13.092 6.693 6.029 549 HB2 ASP 75 1HB ASP 75 11.881 4.904 8.160 550 HB3 ASP 75 2HB ASP 75 13.351 4.412 7.314 551 H PHE 76 H PHE 76 10.097 4.787 5.708 552 HA PHE 76 HA PHE 76 11.318 2.678 4.121 553 HD1 PHE 76 HD1 PHE 76 10.195 0.324 4.165 554 HD2 PHE 76 HD2 PHE 76 7.463 2.938 2.042 555 HE1 PHE 76 HE1 PHE 76 9.722 -1.462 2.534 556 HE2 PHE 76 HE2 PHE 76 7.172 1.240 0.350 557 HZ PHE 76 HZ PHE 76 8.183 -0.997 0.592 558 HB2 PHE 76 1HB PHE 76 9.134 2.407 5.247 559 HB3 PHE 76 2HB PHE 76 8.420 3.619 4.194 560 H ALA 77 H ALA 77 9.477 5.621 3.304 561 HA ALA 77 HA ALA 77 9.710 5.413 0.485 562 HB1 ALA 77 1HB ALA 77 8.799 7.717 0.594 563 HB2 ALA 77 2HB ALA 77 8.007 6.703 1.772 564 HB3 ALA 77 3HB ALA 77 9.256 7.830 2.308 565 H MET 78 H MET 78 11.746 7.002 2.945 566 HA MET 78 HA MET 78 13.586 8.355 1.257 567 HB2 MET 78 1HB MET 78 14.026 7.079 4.003 568 HB3 MET 78 2HB MET 78 15.171 8.108 3.189 569 HG2 MET 78 1HG MET 78 12.752 9.567 3.120 570 HG3 MET 78 2HG MET 78 12.775 8.860 4.702 571 HE1 MET 78 3HE MET 78 12.557 11.133 5.721 572 HE2 MET 78 1HE MET 78 13.629 12.510 5.388 573 HE3 MET 78 2HE MET 78 12.572 11.891 4.105 574 H LYS 79 H LYS 79 13.632 5.005 2.500 575 HA LYS 79 HA LYS 79 16.138 4.323 1.246 576 HB2 LYS 79 1HB LYS 79 13.942 2.869 2.717 577 HB3 LYS 79 2HB LYS 79 15.039 1.893 1.749 578 HG2 LYS 79 1HG LYS 79 16.168 3.973 3.646 579 HG3 LYS 79 2HG LYS 79 15.619 2.417 4.271 580 HD2 LYS 79 1HD LYS 79 17.567 2.562 1.946 581 HD3 LYS 79 2HD LYS 79 18.122 2.673 3.616 582 HE2 LYS 79 1HE LYS 79 16.207 0.460 3.242 583 HE3 LYS 79 2HE LYS 79 17.593 0.302 2.158 584 HZ1 LYS 79 3HZ LYS 79 17.970 0.796 5.038 585 HZ2 LYS 79 1HZ LYS 79 17.804 -0.725 4.422 586 HZ3 LYS 79 2HZ LYS 79 19.039 0.180 3.904 587 H HIS 80 H HIS 80 13.146 4.884 -0.231 588 HA HIS 80 HA HIS 80 13.683 2.813 -2.335 589 HD1 HIS 80 HD1 HIS 80 11.497 1.124 -3.737 590 HD2 HIS 80 HD2 HIS 80 11.159 1.927 0.415 591 HE1 HIS 80 HE1 HIS 80 11.182 -1.108 -2.585 592 HE2 HIS 80 HE2 HIS 80 10.930 -0.605 -0.045 593 HB2 HIS 80 1HB HIS 80 11.148 4.098 -1.315 594 HB3 HIS 80 2HB HIS 80 11.259 3.700 -3.032 595 H GLY 81 H GLY 81 12.720 6.240 -1.877 596 HA2 GLY 81 1HA GLY 81 14.195 7.465 -3.873 597 HA3 GLY 81 2HA GLY 81 12.943 6.611 -4.771 598 H ALA 82 H ALA 82 12.785 8.299 -1.580 599 HA ALA 82 HA ALA 82 11.116 10.410 -2.781 600 HB1 ALA 82 1HB ALA 82 9.521 10.118 -0.799 601 HB2 ALA 82 2HB ALA 82 9.433 8.870 -2.060 602 HB3 ALA 82 3HB ALA 82 10.319 8.568 -0.549 603 H ASP 83 H ASP 83 10.806 12.198 -1.250 604 HA ASP 83 HA ASP 83 13.041 12.567 0.689 605 HB2 ASP 83 1HB ASP 83 11.471 14.694 -0.821 606 HB3 ASP 83 2HB ASP 83 12.752 14.988 0.331 607 H GLU 84 H GLU 84 12.285 14.121 2.428 608 HA GLU 84 HA GLU 84 9.937 13.442 3.913 609 HB2 GLU 84 1HB GLU 84 11.329 16.139 3.689 610 HB3 GLU 84 2HB GLU 84 10.107 15.701 4.891 611 HG2 GLU 84 1HG GLU 84 11.667 13.980 5.805 612 HG3 GLU 84 2HG GLU 84 12.917 14.600 4.713 613 H THR 85 H THR 85 10.257 15.758 1.325 614 HA THR 85 HA THR 85 7.715 16.999 1.511 615 HB THR 85 HB THR 85 9.549 16.434 -0.852 616 HG1 THR 85 1HG THR 85 10.010 18.738 -0.447 617 HG21 THR 85 3HG2 THR 85 8.431 18.361 -1.946 618 HG22 THR 85 1HG2 THR 85 7.316 17.012 -1.666 619 HG23 THR 85 2HG2 THR 85 7.270 18.439 -0.607 620 H MET 86 H MET 86 8.859 14.245 -0.510 621 HA MET 86 HA MET 86 6.276 13.765 -1.703 622 HB2 MET 86 1HB MET 86 8.754 12.059 -1.412 623 HB3 MET 86 2HB MET 86 7.368 11.577 -2.377 624 HG2 MET 86 1HG MET 86 7.734 13.272 -3.986 625 HG3 MET 86 2HG MET 86 8.690 14.242 -2.868 626 HE1 MET 86 3HE MET 86 8.730 11.549 -5.613 627 HE2 MET 86 1HE MET 86 10.277 10.718 -5.376 628 HE3 MET 86 2HE MET 86 8.958 10.467 -4.214 629 H ALA 87 H ALA 87 8.149 12.222 0.928 630 HA ALA 87 HA ALA 87 6.246 10.247 1.681 631 HB1 ALA 87 1HB ALA 87 8.294 11.768 3.378 632 HB2 ALA 87 2HB ALA 87 7.398 10.321 3.902 633 HB3 ALA 87 3HB ALA 87 8.529 10.220 2.557 634 H GLN 88 H GLN 88 6.551 13.725 2.874 635 HA GLN 88 HA GLN 88 4.256 13.328 4.589 636 HB2 GLN 88 1HB GLN 88 5.976 14.851 5.220 637 HB3 GLN 88 2HB GLN 88 5.939 15.688 3.681 638 HG2 GLN 88 1HG GLN 88 4.866 17.072 5.306 639 HG3 GLN 88 2HG GLN 88 3.604 16.489 4.238 640 HE21 GLN 88 2HE2 GLN 88 1.920 15.222 5.154 641 HE22 GLN 88 1HE2 GLN 88 1.837 14.774 6.850 642 H GLN 89 H GLN 89 4.642 14.339 1.210 643 HA GLN 89 HA GLN 89 1.951 15.384 0.852 644 HB2 GLN 89 1HB GLN 89 3.959 14.267 -1.102 645 HB3 GLN 89 2HB GLN 89 2.301 14.688 -1.488 646 HG2 GLN 89 1HG GLN 89 3.086 16.965 -0.133 647 HG3 GLN 89 2HG GLN 89 4.586 16.473 -0.950 648 HE21 GLN 89 2HE2 GLN 89 4.515 16.129 -3.331 649 HE22 GLN 89 1HE2 GLN 89 3.213 16.914 -4.223 650 H LEU 90 H LEU 90 3.380 12.073 0.125 651 HA LEU 90 HA LEU 90 1.078 10.740 -0.442 652 HG LEU 90 HG LEU 90 2.365 9.484 -1.672 653 HB2 LEU 90 1HB LEU 90 3.741 10.004 0.919 654 HB3 LEU 90 2HB LEU 90 2.452 8.825 0.764 655 HD11 LEU 90 1HD1 LEU 90 3.907 10.033 -2.870 656 HD12 LEU 90 2HD1 LEU 90 3.571 11.322 -1.740 657 HD13 LEU 90 3HD1 LEU 90 5.073 10.331 -1.507 658 HD21 LEU 90 3HD2 LEU 90 4.058 7.776 -2.243 659 HD22 LEU 90 1HD2 LEU 90 4.826 7.985 -0.645 660 HD23 LEU 90 2HD2 LEU 90 3.229 7.230 -0.770 661 H VAL 91 H VAL 91 2.512 11.019 2.790 662 HA VAL 91 HA VAL 91 0.442 9.604 4.051 663 HB VAL 91 HB VAL 91 2.774 10.819 4.927 664 HG11 VAL 91 1HG1 VAL 91 2.205 12.023 6.996 665 HG12 VAL 91 2HG1 VAL 91 1.592 12.866 5.548 666 HG13 VAL 91 3HG1 VAL 91 0.486 11.943 6.576 667 HG21 VAL 91 3HG2 VAL 91 0.661 9.392 6.584 668 HG22 VAL 91 1HG2 VAL 91 1.934 8.631 5.604 669 HG23 VAL 91 2HG2 VAL 91 2.385 9.612 7.007 670 H ASP 92 H ASP 92 0.529 13.042 3.096 671 HA ASP 92 HA ASP 92 -1.966 13.698 4.389 672 HB2 ASP 92 1HB ASP 92 -0.280 15.395 3.776 673 HB3 ASP 92 2HB ASP 92 -0.543 15.075 2.075 674 H ILE 93 H ILE 93 -1.146 12.294 1.238 675 HA ILE 93 HA ILE 93 -3.791 12.475 0.152 676 HB ILE 93 HB ILE 93 -1.796 10.238 -0.356 677 HG12 ILE 93 1HG1 ILE 93 -0.662 12.348 -0.866 678 HG13 ILE 93 2HG1 ILE 93 -0.931 11.373 -2.281 679 HG21 ILE 93 1HG2 ILE 93 -2.980 10.196 -2.624 680 HG22 ILE 93 2HG2 ILE 93 -3.926 9.678 -1.212 681 HG23 ILE 93 3HG2 ILE 93 -4.176 11.284 -1.878 682 HD11 ILE 93 3HD1 ILE 93 -1.331 13.859 -2.546 683 HD12 ILE 93 1HD1 ILE 93 -2.661 12.834 -3.077 684 HD13 ILE 93 2HD1 ILE 93 -2.756 13.672 -1.508 685 H ILE 94 H ILE 94 -2.373 10.145 2.468 686 HA ILE 94 HA ILE 94 -4.756 8.373 2.263 687 HB ILE 94 HB ILE 94 -2.534 7.356 2.545 688 HG12 ILE 94 1HG1 ILE 94 -3.592 5.907 4.573 689 HG13 ILE 94 2HG1 ILE 94 -5.034 6.825 4.113 690 HG21 ILE 94 1HG2 ILE 94 -1.490 8.775 4.152 691 HG22 ILE 94 2HG2 ILE 94 -2.679 8.356 5.405 692 HG23 ILE 94 3HG2 ILE 94 -1.575 7.127 4.756 693 HD11 ILE 94 3HD1 ILE 94 -4.769 6.009 1.790 694 HD12 ILE 94 1HD1 ILE 94 -3.306 5.108 2.283 695 HD13 ILE 94 2HD1 ILE 94 -4.893 4.690 2.962 696 H HIS 95 H HIS 95 -3.392 10.798 4.544 697 HA HIS 95 HA HIS 95 -5.620 10.535 6.317 698 HD1 HIS 95 HD1 HIS 95 -1.984 13.458 7.531 699 HD2 HIS 95 HD2 HIS 95 -3.685 9.593 7.301 700 HE1 HIS 95 HE1 HIS 95 -0.477 11.840 8.946 701 HE2 HIS 95 HE2 HIS 95 -1.637 9.455 8.720 702 HB2 HIS 95 1HB HIS 95 -3.955 13.026 5.658 703 HB3 HIS 95 2HB HIS 95 -5.008 12.855 7.056 704 H GLY 96 H GLY 96 -5.196 12.418 3.336 705 HA2 GLY 96 1HA GLY 96 -7.608 13.931 3.634 706 HA3 GLY 96 2HA GLY 96 -6.745 13.617 2.111 707 H CYS 97 H CYS 97 -6.851 10.934 1.818 708 HA CYS 97 HA CYS 97 -9.508 10.522 0.871 709 HB2 CYS 97 1HB CYS 97 -6.987 8.872 1.136 710 HB3 CYS 97 2HB CYS 97 -8.480 8.105 0.633 711 H GLU 98 H GLU 98 -7.811 9.265 3.813 712 HA GLU 98 HA GLU 98 -9.852 7.408 4.394 713 HB2 GLU 98 1HB GLU 98 -8.685 6.852 6.267 714 HB3 GLU 98 2HB GLU 98 -7.368 7.542 5.295 715 HG2 GLU 98 1HG GLU 98 -7.690 9.680 6.392 716 HG3 GLU 98 2HG GLU 98 -8.926 8.922 7.404 717 H LYS 99 H LYS 99 -9.405 10.800 5.344 718 HA LYS 99 HA LYS 99 -11.780 10.822 7.036 719 HB2 LYS 99 1HB LYS 99 -9.846 12.975 6.127 720 HB3 LYS 99 2HB LYS 99 -11.414 13.407 6.757 721 HG2 LYS 99 1HG LYS 99 -10.209 13.457 8.693 722 HG3 LYS 99 2HG LYS 99 -10.897 11.837 8.769 723 HD2 LYS 99 1HD LYS 99 -8.620 11.125 7.659 724 HD3 LYS 99 2HD LYS 99 -8.075 12.720 8.116 725 HE2 LYS 99 1HE LYS 99 -7.380 11.545 9.965 726 HE3 LYS 99 2HE LYS 99 -8.978 12.055 10.498 727 HZ1 LYS 99 3HZ LYS 99 -8.224 9.342 9.552 728 HZ2 LYS 99 1HZ LYS 99 -8.650 9.785 11.050 729 HZ3 LYS 99 2HZ LYS 99 -9.769 9.802 9.890 730 H SER 100 H SER 100 -11.149 12.268 3.687 731 HA SER 100 HA SER 100 -13.893 12.949 3.413 732 HG SER 100 HG SER 100 -11.780 14.751 2.768 733 HB2 SER 100 1HB SER 100 -11.451 12.811 1.647 734 HB3 SER 100 2HB SER 100 -13.038 12.977 0.925 735 H ALA 101 H ALA 101 -12.593 9.777 3.355 736 HA ALA 101 HA ALA 101 -13.544 8.459 1.383 737 HB1 ALA 101 1HB ALA 101 -13.798 6.481 2.857 738 HB2 ALA 101 2HB ALA 101 -12.465 7.492 3.430 739 HB3 ALA 101 3HB ALA 101 -14.040 7.522 4.248 740 HA PRO 102 HA PRO 102 -17.889 8.707 0.833 741 HB2 PRO 102 1HB PRO 102 -18.488 6.304 -0.389 742 HB3 PRO 102 2HB PRO 102 -17.571 7.623 -1.166 743 HG2 PRO 102 1HG PRO 102 -16.521 5.150 0.227 744 HG3 PRO 102 2HG PRO 102 -16.043 5.815 -1.370 745 HD2 PRO 102 1HD PRO 102 -14.615 6.297 0.885 746 HD3 PRO 102 2HD PRO 102 -14.787 7.566 -0.359 747 HA PRO 103 HA PRO 103 -20.086 6.342 4.025 748 HB2 PRO 103 1HB PRO 103 -22.540 5.834 2.946 749 HB3 PRO 103 2HB PRO 103 -22.047 7.437 3.581 750 HG2 PRO 103 1HG PRO 103 -22.154 6.481 0.727 751 HG3 PRO 103 2HG PRO 103 -22.605 8.087 1.388 752 HD2 PRO 103 1HD PRO 103 -20.215 7.588 0.131 753 HD3 PRO 103 2HD PRO 103 -20.391 8.808 1.414 754 H ASN 104 H ASN 104 -18.658 4.600 3.911 755 HA ASN 104 HA ASN 104 -20.069 2.161 3.606 756 HB2 ASN 104 1HB ASN 104 -19.177 2.082 1.326 757 HB3 ASN 104 2HB ASN 104 -17.556 2.503 1.920 758 HD21 ASN 104 2HD2 ASN 104 -16.238 0.833 2.517 759 HD22 ASN 104 1HD2 ASN 104 -16.838 -0.797 2.891 760 H ASP 105 H ASP 105 -19.466 1.220 5.608 761 HA ASP 105 HA ASP 105 -16.825 1.933 6.680 762 HB2 ASP 105 1HB ASP 105 -17.605 2.392 8.674 763 HB3 ASP 105 2HB ASP 105 -19.183 2.560 7.923 764 H ASP 106 H ASP 106 -15.637 0.331 7.602 765 HA ASP 106 HA ASP 106 -15.959 -2.433 7.839 766 HB2 ASP 106 1HB ASP 106 -16.221 -1.834 5.118 767 HB3 ASP 106 2HB ASP 106 -14.489 -1.862 5.313 768 H LYS 107 H LYS 107 -13.758 -3.364 7.606 769 HA LYS 107 HA LYS 107 -11.626 -1.323 8.008 770 HB2 LYS 107 1HB LYS 107 -11.631 -4.327 8.336 771 HB3 LYS 107 2HB LYS 107 -10.145 -3.341 8.347 772 HG2 LYS 107 1HG LYS 107 -11.562 -2.029 10.205 773 HG3 LYS 107 2HG LYS 107 -12.329 -3.603 10.389 774 HD2 LYS 107 1HD LYS 107 -10.616 -3.618 12.005 775 HD3 LYS 107 2HD LYS 107 -9.952 -4.546 10.658 776 HE2 LYS 107 1HE LYS 107 -8.200 -3.122 11.407 777 HE3 LYS 107 2HE LYS 107 -8.769 -2.428 9.899 778 HZ1 LYS 107 3HZ LYS 107 -8.441 -0.760 11.498 779 HZ2 LYS 107 1HZ LYS 107 -10.003 -0.781 11.166 780 HZ3 LYS 107 2HZ LYS 107 -9.529 -1.440 12.589 781 H CYS 108 H CYS 108 -12.867 -4.084 5.887 782 HA CYS 108 HA CYS 108 -10.465 -3.919 4.289 783 HB2 CYS 108 1HB CYS 108 -13.015 -5.560 3.917 784 HB3 CYS 108 2HB CYS 108 -11.475 -5.760 3.103 785 H MET 109 H MET 109 -14.066 -3.649 3.771 786 HA MET 109 HA MET 109 -13.664 -2.807 1.217 787 HB2 MET 109 1HB MET 109 -16.030 -2.436 3.021 788 HB3 MET 109 2HB MET 109 -16.080 -1.893 1.349 789 HG2 MET 109 1HG MET 109 -15.081 -4.639 1.528 790 HG3 MET 109 2HG MET 109 -16.664 -4.462 2.281 791 HE1 MET 109 3HE MET 109 -15.934 -3.256 -2.148 792 HE2 MET 109 1HE MET 109 -15.167 -2.452 -0.758 793 HE3 MET 109 2HE MET 109 -14.692 -4.114 -1.221 794 H LYS 110 H LYS 110 -14.127 -0.714 4.104 795 HA LYS 110 HA LYS 110 -13.871 1.791 2.791 796 HB2 LYS 110 1HB LYS 110 -14.614 1.674 5.067 797 HB3 LYS 110 2HB LYS 110 -13.096 0.892 5.584 798 HG2 LYS 110 1HG LYS 110 -11.855 2.987 4.867 799 HG3 LYS 110 2HG LYS 110 -13.422 3.758 4.561 800 HD2 LYS 110 1HD LYS 110 -12.352 2.704 7.210 801 HD3 LYS 110 2HD LYS 110 -12.398 4.392 6.688 802 HE2 LYS 110 1HE LYS 110 -14.984 3.930 6.368 803 HE3 LYS 110 2HE LYS 110 -14.681 2.582 7.499 804 HZ1 LYS 110 3HZ LYS 110 -13.580 4.469 8.887 805 HZ2 LYS 110 1HZ LYS 110 -14.483 5.470 7.916 806 HZ3 LYS 110 2HZ LYS 110 -15.219 4.375 8.864 807 H THR 111 H THR 111 -11.298 -0.473 3.947 808 HA THR 111 HA THR 111 -9.142 1.287 3.259 809 HB THR 111 HB THR 111 -9.265 -1.749 3.348 810 HG1 THR 111 1HG THR 111 -9.517 -0.728 5.302 811 HG21 THR 111 3HG2 THR 111 -6.802 -1.685 3.502 812 HG22 THR 111 1HG2 THR 111 -7.383 -1.184 1.894 813 HG23 THR 111 2HG2 THR 111 -6.817 0.032 3.077 814 H ILE 112 H ILE 112 -11.139 -0.837 1.167 815 HA ILE 112 HA ILE 112 -9.438 -0.495 -1.130 816 HB ILE 112 HB ILE 112 -12.379 -1.258 -0.893 817 HG12 ILE 112 1HG1 ILE 112 -9.954 -2.978 -1.561 818 HG13 ILE 112 2HG1 ILE 112 -10.520 -2.748 0.076 819 HG21 ILE 112 1HG2 ILE 112 -12.147 -2.064 -3.271 820 HG22 ILE 112 2HG2 ILE 112 -12.142 -0.322 -3.084 821 HG23 ILE 112 3HG2 ILE 112 -10.611 -1.156 -3.360 822 HD11 ILE 112 3HD1 ILE 112 -12.683 -3.688 -0.423 823 HD12 ILE 112 1HD1 ILE 112 -12.217 -3.938 -2.118 824 HD13 ILE 112 2HD1 ILE 112 -11.383 -4.808 -0.811 825 H ASP 113 H ASP 113 -12.366 1.226 0.058 826 HA ASP 113 HA ASP 113 -12.592 3.133 -1.988 827 HB2 ASP 113 1HB ASP 113 -13.168 3.459 0.989 828 HB3 ASP 113 2HB ASP 113 -13.584 4.631 -0.247 829 H VAL 114 H VAL 114 -10.733 3.333 1.072 830 HA VAL 114 HA VAL 114 -9.693 5.956 0.552 831 HB VAL 114 HB VAL 114 -8.882 3.796 2.542 832 HG11 VAL 114 1HG1 VAL 114 -7.048 5.424 2.398 833 HG12 VAL 114 2HG1 VAL 114 -8.192 6.770 2.529 834 HG13 VAL 114 3HG1 VAL 114 -7.944 5.689 3.900 835 HG21 VAL 114 3HG2 VAL 114 -10.658 6.267 2.763 836 HG22 VAL 114 1HG2 VAL 114 -11.246 4.606 2.787 837 HG23 VAL 114 2HG2 VAL 114 -10.242 5.173 4.112 838 H ALA 115 H ALA 115 -8.345 2.655 -0.037 839 HA ALA 115 HA ALA 115 -5.824 3.562 -0.990 840 HB1 ALA 115 1HB ALA 115 -5.599 1.309 -1.920 841 HB2 ALA 115 2HB ALA 115 -6.249 1.244 -0.279 842 HB3 ALA 115 3HB ALA 115 -7.335 1.003 -1.669 843 H MET 116 H MET 116 -8.899 2.799 -2.827 844 HA MET 116 HA MET 116 -7.661 3.483 -5.353 845 HB2 MET 116 1HB MET 116 -9.833 3.530 -6.322 846 HB3 MET 116 2HB MET 116 -9.680 2.107 -5.314 847 HG2 MET 116 1HG MET 116 -11.256 2.884 -3.768 848 HG3 MET 116 2HG MET 116 -11.050 4.564 -4.200 849 HE1 MET 116 3HE MET 116 -11.672 1.485 -6.650 850 HE2 MET 116 1HE MET 116 -12.524 1.138 -5.134 851 HE3 MET 116 2HE MET 116 -13.461 1.472 -6.603 852 H CYS 117 H CYS 117 -9.454 5.364 -2.903 853 HA CYS 117 HA CYS 117 -9.583 7.770 -4.317 854 HB2 CYS 117 1HB CYS 117 -10.807 7.557 -2.312 855 HB3 CYS 117 2HB CYS 117 -9.369 7.211 -1.354 856 H PHE 118 H PHE 118 -6.894 6.413 -2.305 857 HA PHE 118 HA PHE 118 -5.217 8.566 -2.416 858 HD1 PHE 118 HD1 PHE 118 -2.267 7.247 -3.816 859 HD2 PHE 118 HD2 PHE 118 -3.246 7.037 0.366 860 HE1 PHE 118 HE1 PHE 118 0.030 8.164 -3.164 861 HE2 PHE 118 HE2 PHE 118 -0.957 7.781 0.933 862 HZ PHE 118 HZ PHE 118 0.691 8.353 -0.957 863 HB2 PHE 118 1HB PHE 118 -4.855 6.379 -1.196 864 HB3 PHE 118 2HB PHE 118 -4.243 5.694 -2.694 865 H LYS 119 H LYS 119 -5.237 5.941 -4.949 866 HA LYS 119 HA LYS 119 -3.473 7.392 -6.678 867 HB2 LYS 119 1HB LYS 119 -3.758 5.021 -6.916 868 HB3 LYS 119 2HB LYS 119 -5.466 5.222 -7.346 869 HG2 LYS 119 1HG LYS 119 -4.882 6.308 -9.435 870 HG3 LYS 119 2HG LYS 119 -3.193 6.444 -8.965 871 HD2 LYS 119 1HD LYS 119 -3.500 4.695 -10.632 872 HD3 LYS 119 2HD LYS 119 -2.929 4.003 -9.105 873 HE2 LYS 119 1HE LYS 119 -5.200 3.288 -8.528 874 HE3 LYS 119 2HE LYS 119 -5.870 4.070 -9.935 875 HZ1 LYS 119 3HZ LYS 119 -4.083 1.709 -9.856 876 HZ2 LYS 119 1HZ LYS 119 -5.637 1.782 -10.346 877 HZ3 LYS 119 2HZ LYS 119 -4.393 2.514 -11.243 878 H LYS 120 H LYS 120 -6.977 7.862 -6.196 879 HA LYS 120 HA LYS 120 -7.314 9.451 -8.603 880 HB2 LYS 120 1HB LYS 120 -9.218 8.484 -7.931 881 HB3 LYS 120 2HB LYS 120 -8.958 8.781 -6.241 882 HG2 LYS 120 1HG LYS 120 -9.278 11.162 -8.077 883 HG3 LYS 120 2HG LYS 120 -10.712 10.192 -7.727 884 HD2 LYS 120 1HD LYS 120 -8.912 11.306 -5.542 885 HD3 LYS 120 2HD LYS 120 -10.316 12.187 -6.149 886 HE2 LYS 120 1HE LYS 120 -10.379 9.361 -5.092 887 HE3 LYS 120 2HE LYS 120 -10.622 10.780 -4.044 888 HZ1 LYS 120 3HZ LYS 120 -12.759 9.935 -4.687 889 HZ2 LYS 120 1HZ LYS 120 -12.563 11.332 -5.523 890 HZ3 LYS 120 2HZ LYS 120 -12.367 9.868 -6.253 891 H GLU 121 H GLU 121 -6.305 10.081 -5.159 892 HA GLU 121 HA GLU 121 -6.447 12.954 -5.602 893 HB2 GLU 121 1HB GLU 121 -5.859 11.104 -3.317 894 HB3 GLU 121 2HB GLU 121 -4.979 12.635 -3.375 895 HG2 GLU 121 1HG GLU 121 -7.356 13.683 -3.809 896 HG3 GLU 121 2HG GLU 121 -7.930 12.186 -3.079 897 H ILE 122 H ILE 122 -4.024 10.391 -5.866 898 HA ILE 122 HA ILE 122 -1.682 11.805 -5.902 899 HB ILE 122 HB ILE 122 -2.643 9.390 -7.403 900 HG12 ILE 122 1HG1 ILE 122 -0.718 9.949 -5.136 901 HG13 ILE 122 2HG1 ILE 122 -2.190 9.098 -5.069 902 HG21 ILE 122 1HG2 ILE 122 -0.479 8.908 -8.363 903 HG22 ILE 122 2HG2 ILE 122 -1.124 10.398 -8.973 904 HG23 ILE 122 3HG2 ILE 122 0.168 10.460 -7.754 905 HD11 ILE 122 3HD1 ILE 122 -0.322 7.491 -4.964 906 HD12 ILE 122 1HD1 ILE 122 -1.319 7.229 -6.386 907 HD13 ILE 122 2HD1 ILE 122 0.260 8.037 -6.507 908 H HIS 123 H HIS 123 -4.221 12.250 -8.264 909 HA HIS 123 HA HIS 123 -2.784 13.432 -10.399 910 HD1 HIS 123 HD1 HIS 123 -5.785 13.668 -12.764 911 HD2 HIS 123 HD2 HIS 123 -5.080 10.876 -9.672 912 HE1 HIS 123 HE1 HIS 123 -6.226 11.315 -13.746 913 HE2 HIS 123 HE2 HIS 123 -5.756 9.634 -11.865 914 HB2 HIS 123 1HB HIS 123 -5.517 13.913 -9.177 915 HB3 HIS 123 2HB HIS 123 -4.949 14.731 -10.629 916 H LYS 124 H LYS 124 -3.728 14.783 -7.173 917 HA LYS 124 HA LYS 124 -2.937 17.457 -7.862 918 HB2 LYS 124 1HB LYS 124 -3.275 18.062 -5.640 919 HB3 LYS 124 2HB LYS 124 -4.540 16.970 -6.153 920 HG2 LYS 124 1HG LYS 124 -2.691 15.205 -5.047 921 HG3 LYS 124 2HG LYS 124 -2.368 16.623 -4.084 922 HD2 LYS 124 1HD LYS 124 -5.244 15.885 -4.506 923 HD3 LYS 124 2HD LYS 124 -4.300 14.760 -3.565 924 HE2 LYS 124 1HE LYS 124 -4.131 17.672 -2.807 925 HE3 LYS 124 2HE LYS 124 -5.620 16.770 -2.442 926 HZ1 LYS 124 3HZ LYS 124 -2.934 16.016 -1.467 927 HZ2 LYS 124 1HZ LYS 124 -4.190 16.590 -0.585 928 HZ3 LYS 124 2HZ LYS 124 -4.342 15.149 -1.282 929 H LEU 125 H LEU 125 -1.138 14.603 -6.861 930 HA LEU 125 HA LEU 125 1.175 15.961 -5.792 931 HG LEU 125 HG LEU 125 -0.329 13.190 -4.993 932 HB2 LEU 125 1HB LEU 125 1.020 13.210 -7.110 933 HB3 LEU 125 2HB LEU 125 2.344 13.860 -6.220 934 HD11 LEU 125 1HD1 LEU 125 0.945 11.354 -3.938 935 HD12 LEU 125 2HD1 LEU 125 1.095 11.242 -5.710 936 HD13 LEU 125 3HD1 LEU 125 2.426 11.896 -4.749 937 HD21 LEU 125 3HD2 LEU 125 2.260 14.219 -3.774 938 HD22 LEU 125 1HD2 LEU 125 0.678 15.043 -3.763 939 HD23 LEU 125 2HD2 LEU 125 0.908 13.551 -2.846 940 H ASN 126 H ASN 126 0.240 14.672 -8.965 941 HA ASN 126 HA ASN 126 0.699 15.307 -11.057 942 HB2 ASN 126 1HB ASN 126 3.015 17.072 -10.383 943 HB3 ASN 126 2HB ASN 126 1.886 17.182 -11.715 944 HD21 ASN 126 2HD2 ASN 126 -0.551 17.128 -10.040 945 HD22 ASN 126 1HD2 ASN 126 -0.406 18.413 -8.868 946 H TRP 127 H TRP 127 2.818 13.860 -8.956 947 HA TRP 127 HA TRP 127 4.499 12.819 -11.187 948 HD1 TRP 127 HD1 TRP 127 4.482 14.982 -7.544 949 HE1 TRP 127 HE1 TRP 127 4.516 14.448 -5.069 950 HE3 TRP 127 HE3 TRP 127 6.728 10.394 -7.740 951 HZ2 TRP 127 HZ2 TRP 127 4.783 12.050 -3.452 952 HZ3 TRP 127 HZ3 TRP 127 7.108 9.133 -5.622 953 HH2 TRP 127 HH2 TRP 127 5.965 9.827 -3.524 954 HB2 TRP 127 1HB TRP 127 6.171 12.156 -9.530 955 HB3 TRP 127 2HB TRP 127 5.930 13.891 -9.604 956 H VAL 128 H VAL 128 5.142 10.445 -10.606 957 HA VAL 128 HA VAL 128 2.723 8.929 -9.698 958 HB VAL 128 HB VAL 128 4.669 8.384 -11.939 959 HG11 VAL 128 1HG1 VAL 128 3.342 6.239 -12.239 960 HG12 VAL 128 2HG1 VAL 128 4.366 6.239 -10.808 961 HG13 VAL 128 3HG1 VAL 128 2.618 6.523 -10.645 962 HG21 VAL 128 3HG2 VAL 128 2.617 9.812 -12.426 963 HG22 VAL 128 1HG2 VAL 128 2.704 8.315 -13.359 964 HG23 VAL 128 2HG2 VAL 128 1.620 8.407 -11.963 965 HA PRO 129 HA PRO 129 6.012 7.869 -6.778 966 HB2 PRO 129 1HB PRO 129 3.811 6.465 -5.356 967 HB3 PRO 129 2HB PRO 129 4.894 7.709 -4.719 968 HG2 PRO 129 1HG PRO 129 2.267 8.243 -5.264 969 HG3 PRO 129 2HG PRO 129 3.562 9.462 -5.488 970 HD2 PRO 129 1HD PRO 129 2.237 7.716 -7.556 971 HD3 PRO 129 2HD PRO 129 2.674 9.460 -7.622 972 H ASN 130 H ASN 130 6.926 5.848 -6.053 973 HA ASN 130 HA ASN 130 6.834 3.632 -7.849 974 HB2 ASN 130 1HB ASN 130 7.629 3.747 -4.889 975 HB3 ASN 130 2HB ASN 130 7.830 2.334 -5.905 976 HD21 ASN 130 2HD2 ASN 130 9.748 4.635 -4.617 977 HD22 ASN 130 1HD2 ASN 130 10.957 4.575 -5.887 978 H MET 131 H MET 131 5.920 1.485 -7.483 979 HA MET 131 HA MET 131 3.325 1.217 -6.362 980 HB2 MET 131 1HB MET 131 5.538 -0.881 -6.582 981 HB3 MET 131 2HB MET 131 3.840 -1.188 -6.230 982 HG2 MET 131 1HG MET 131 3.307 0.015 -8.445 983 HG3 MET 131 2HG MET 131 5.032 -0.042 -8.781 984 HE1 MET 131 3HE MET 131 2.268 -2.283 -7.275 985 HE2 MET 131 1HE MET 131 1.653 -1.914 -8.885 986 HE3 MET 131 2HE MET 131 2.093 -3.587 -8.489 987 H ASP 132 H ASP 132 6.521 0.565 -4.909 988 HA ASP 132 HA ASP 132 5.869 -0.361 -2.429 989 HB2 ASP 132 1HB ASP 132 8.152 1.576 -3.018 990 HB3 ASP 132 2HB ASP 132 8.093 0.335 -1.765 991 H LEU 133 H LEU 133 6.321 3.089 -3.295 992 HA LEU 133 HA LEU 133 5.695 4.325 -0.893 993 HG LEU 133 HG LEU 133 6.347 7.126 -2.075 994 HB2 LEU 133 1HB LEU 133 5.848 4.874 -3.840 995 HB3 LEU 133 2HB LEU 133 4.759 5.916 -3.028 996 HD11 LEU 133 1HD1 LEU 133 7.287 5.701 -0.488 997 HD12 LEU 133 2HD1 LEU 133 8.166 4.750 -1.731 998 HD13 LEU 133 3HD1 LEU 133 8.611 6.446 -1.383 999 HD21 LEU 133 3HD2 LEU 133 8.290 7.464 -3.465 1000 HD22 LEU 133 1HD2 LEU 133 8.153 5.835 -4.126 1001 HD23 LEU 133 2HD2 LEU 133 6.933 7.065 -4.489 1002 H VAL 134 H VAL 134 3.454 3.744 -3.686 1003 HA VAL 134 HA VAL 134 1.255 4.895 -2.313 1004 HB VAL 134 HB VAL 134 1.235 2.884 -4.603 1005 HG11 VAL 134 1HG1 VAL 134 -0.962 3.117 -3.612 1006 HG12 VAL 134 2HG1 VAL 134 -0.837 4.884 -3.653 1007 HG13 VAL 134 3HG1 VAL 134 -0.953 3.950 -5.165 1008 HG21 VAL 134 3HG2 VAL 134 1.433 5.921 -4.581 1009 HG22 VAL 134 1HG2 VAL 134 2.523 4.743 -5.351 1010 HG23 VAL 134 2HG2 VAL 134 0.922 4.997 -6.014 1011 H ILE 135 H ILE 135 2.392 1.545 -2.461 1012 HA ILE 135 HA ILE 135 0.186 0.345 -1.014 1013 HB ILE 135 HB ILE 135 3.089 -0.463 -1.490 1014 HG12 ILE 135 1HG1 ILE 135 0.607 -1.666 -2.751 1015 HG13 ILE 135 2HG1 ILE 135 1.421 -0.305 -3.494 1016 HG21 ILE 135 1HG2 ILE 135 0.748 -2.070 -0.367 1017 HG22 ILE 135 2HG2 ILE 135 2.265 -2.746 -0.856 1018 HG23 ILE 135 3HG2 ILE 135 2.248 -1.631 0.503 1019 HD11 ILE 135 3HD1 ILE 135 2.604 -3.064 -3.048 1020 HD12 ILE 135 1HD1 ILE 135 2.168 -2.295 -4.584 1021 HD13 ILE 135 2HD1 ILE 135 3.523 -1.661 -3.635 1022 H GLY 136 H GLY 136 3.496 1.333 -0.063 1023 HA2 GLY 136 1HA GLY 136 3.635 0.695 2.568 1024 HA3 GLY 136 2HA GLY 136 4.411 2.064 1.799 1025 H GLU 137 H GLU 137 2.182 3.672 1.190 1026 HA GLU 137 HA GLU 137 1.925 4.957 3.686 1027 HB2 GLU 137 1HB GLU 137 1.459 5.643 0.970 1028 HB3 GLU 137 2HB GLU 137 -0.104 5.806 1.769 1029 HG2 GLU 137 1HG GLU 137 1.044 7.895 1.959 1030 HG3 GLU 137 2HG GLU 137 0.950 7.207 3.542 1031 H VAL 138 H VAL 138 -0.524 2.978 1.851 1032 HA VAL 138 HA VAL 138 -2.596 3.302 3.691 1033 HB VAL 138 HB VAL 138 -2.192 0.532 2.597 1034 HG11 VAL 138 1HG1 VAL 138 -4.455 2.552 2.665 1035 HG12 VAL 138 2HG1 VAL 138 -4.636 0.914 2.057 1036 HG13 VAL 138 3HG1 VAL 138 -4.231 1.177 3.772 1037 HG21 VAL 138 3HG2 VAL 138 -2.929 0.856 0.437 1038 HG22 VAL 138 1HG2 VAL 138 -3.027 2.638 0.620 1039 HG23 VAL 138 2HG2 VAL 138 -1.460 1.788 0.601 1040 H LEU 139 H LEU 139 0.156 1.070 3.722 1041 HA LEU 139 HA LEU 139 -0.742 -0.475 5.937 1042 HG LEU 139 HG LEU 139 1.011 -0.699 3.075 1043 HB2 LEU 139 1HB LEU 139 2.153 -0.112 5.051 1044 HB3 LEU 139 2HB LEU 139 1.451 -1.471 5.913 1045 HD11 LEU 139 1HD1 LEU 139 2.116 -3.223 4.275 1046 HD12 LEU 139 2HD1 LEU 139 1.985 -2.838 2.539 1047 HD13 LEU 139 3HD1 LEU 139 3.076 -1.901 3.564 1048 HD21 LEU 139 3HD2 LEU 139 -1.168 -1.355 3.725 1049 HD22 LEU 139 1HD2 LEU 139 -0.457 -2.764 2.917 1050 HD23 LEU 139 2HD2 LEU 139 -0.564 -2.688 4.692 1051 H ALA 140 H ALA 140 1.124 2.472 5.790 1052 HA ALA 140 HA ALA 140 2.002 2.352 8.571 1053 HB1 ALA 140 1HB ALA 140 2.617 4.752 8.074 1054 HB2 ALA 140 2HB ALA 140 3.244 3.629 6.842 1055 HB3 ALA 140 3HB ALA 140 1.802 4.610 6.497 1056 H GLU 141 H GLU 141 -0.822 3.610 6.780 1057 HA GLU 141 HA GLU 141 -1.733 5.160 9.070 1058 HB2 GLU 141 1HB GLU 141 -1.929 5.807 6.627 1059 HB3 GLU 141 2HB GLU 141 -3.127 4.539 6.420 1060 HG2 GLU 141 1HG GLU 141 -4.011 6.915 6.687 1061 HG3 GLU 141 2HG GLU 141 -4.708 5.684 7.749 1062 H VAL 142 H VAL 142 -2.754 2.230 7.335 1063 HA VAL 142 HA VAL 142 -4.914 1.508 9.076 1064 HB VAL 142 HB VAL 142 -3.350 0.041 6.892 1065 HG11 VAL 142 1HG1 VAL 142 -4.440 -1.663 8.331 1066 HG12 VAL 142 2HG1 VAL 142 -5.976 -0.792 8.224 1067 HG13 VAL 142 3HG1 VAL 142 -5.273 -1.510 6.771 1068 HG21 VAL 142 3HG2 VAL 142 -4.629 1.972 6.072 1069 HG22 VAL 142 1HG2 VAL 142 -5.456 0.491 5.595 1070 HG23 VAL 142 2HG2 VAL 142 -6.075 1.439 6.953 Start of MODEL 15 1 HA SER 1 HA SER 1 26.174 -7.908 3.378 2 HG SER 1 HG SER 1 28.002 -4.735 1.673 3 H1 SER 1 H SER 1 28.517 -7.648 3.999 4 HB2 SER 1 1HB SER 1 26.162 -5.870 1.669 5 HB3 SER 1 2HB SER 1 26.583 -5.669 3.375 6 HA PRO 2 HA PRO 2 25.392 -9.795 -0.649 7 HB2 PRO 2 1HB PRO 2 22.772 -9.282 -0.914 8 HB3 PRO 2 2HB PRO 2 23.349 -10.378 0.376 9 HG2 PRO 2 1HG PRO 2 22.592 -7.448 0.598 10 HG3 PRO 2 2HG PRO 2 22.105 -8.802 1.665 11 HD2 PRO 2 1HD PRO 2 24.240 -7.096 2.155 12 HD3 PRO 2 2HD PRO 2 24.165 -8.760 2.787 13 H GLU 3 H GLU 3 24.173 -8.938 -2.769 14 HA GLU 3 HA GLU 3 25.082 -6.162 -3.246 15 HB2 GLU 3 1HB GLU 3 26.169 -7.916 -4.490 16 HB3 GLU 3 2HB GLU 3 24.640 -8.487 -5.155 17 HG2 GLU 3 1HG GLU 3 24.491 -6.739 -6.661 18 HG3 GLU 3 2HG GLU 3 25.232 -5.577 -5.548 19 H ILE 4 H ILE 4 22.561 -7.962 -5.102 20 HA ILE 4 HA ILE 4 20.671 -5.755 -4.442 21 HB ILE 4 HB ILE 4 19.587 -6.139 -6.586 22 HG12 ILE 4 1HG1 ILE 4 22.112 -7.398 -7.675 23 HG13 ILE 4 2HG1 ILE 4 20.900 -8.419 -6.942 24 HG21 ILE 4 1HG2 ILE 4 21.186 -4.794 -7.905 25 HG22 ILE 4 2HG2 ILE 4 21.022 -4.230 -6.238 26 HG23 ILE 4 3HG2 ILE 4 22.464 -5.159 -6.730 27 HD11 ILE 4 3HD1 ILE 4 19.141 -7.429 -8.437 28 HD12 ILE 4 1HD1 ILE 4 20.454 -6.624 -9.330 29 HD13 ILE 4 2HD1 ILE 4 20.370 -8.406 -9.234 30 H MET 5 H MET 5 20.787 -7.374 -2.667 31 HA MET 5 HA MET 5 18.493 -9.281 -2.986 32 HB2 MET 5 1HB MET 5 20.594 -9.490 -0.826 33 HB3 MET 5 2HB MET 5 19.338 -10.654 -1.217 34 HG2 MET 5 1HG MET 5 20.373 -11.080 -3.425 35 HG3 MET 5 2HG MET 5 21.645 -9.915 -3.046 36 HE1 MET 5 3HE MET 5 22.835 -12.117 -4.093 37 HE2 MET 5 1HE MET 5 23.856 -11.083 -3.079 38 HE3 MET 5 2HE MET 5 23.936 -12.847 -2.910 39 H LYS 6 H LYS 6 17.261 -9.516 -0.862 40 HA LYS 6 HA LYS 6 15.582 -8.476 0.177 41 HB2 LYS 6 1HB LYS 6 16.294 -7.430 2.363 42 HB3 LYS 6 2HB LYS 6 16.631 -9.138 2.039 43 HG2 LYS 6 1HG LYS 6 18.921 -8.719 1.531 44 HG3 LYS 6 2HG LYS 6 18.649 -6.963 1.519 45 HD2 LYS 6 1HD LYS 6 18.358 -6.894 3.891 46 HD3 LYS 6 2HD LYS 6 18.162 -8.666 3.991 47 HE2 LYS 6 1HE LYS 6 20.454 -9.065 3.417 48 HE3 LYS 6 2HE LYS 6 20.706 -7.370 2.967 49 HZ1 LYS 6 3HZ LYS 6 21.631 -7.883 5.127 50 HZ2 LYS 6 1HZ LYS 6 20.473 -6.743 5.234 51 HZ3 LYS 6 2HZ LYS 6 20.116 -8.284 5.708 52 H ASN 7 H ASN 7 15.976 -7.099 -2.014 53 HA ASN 7 HA ASN 7 15.826 -4.275 -1.531 54 HB2 ASN 7 1HB ASN 7 15.133 -4.211 -4.009 55 HB3 ASN 7 2HB ASN 7 16.747 -4.747 -3.588 56 HD21 ASN 7 2HD2 ASN 7 17.415 -6.825 -3.979 57 HD22 ASN 7 1HD2 ASN 7 16.330 -8.082 -4.485 58 H LEU 8 H LEU 8 14.064 -5.513 0.051 59 HA LEU 8 HA LEU 8 12.147 -6.315 0.684 60 HG LEU 8 HG LEU 8 10.383 -2.593 0.308 61 HB2 LEU 8 1HB LEU 8 11.110 -4.667 1.541 62 HB3 LEU 8 2HB LEU 8 12.223 -3.656 0.675 63 HD11 LEU 8 1HD1 LEU 8 9.279 -2.768 -1.725 64 HD12 LEU 8 2HD1 LEU 8 10.942 -3.279 -2.011 65 HD13 LEU 8 3HD1 LEU 8 9.631 -4.474 -1.926 66 HD21 LEU 8 3HD2 LEU 8 8.610 -5.025 0.501 67 HD22 LEU 8 1HD2 LEU 8 9.032 -3.905 1.799 68 HD23 LEU 8 2HD2 LEU 8 8.080 -3.330 0.440 69 H SER 9 H SER 9 12.140 -6.199 -2.573 70 HA SER 9 HA SER 9 9.611 -6.637 -3.411 71 HG SER 9 HG SER 9 10.647 -8.717 -5.891 72 HB2 SER 9 1HB SER 9 11.651 -6.429 -4.804 73 HB3 SER 9 2HB SER 9 12.047 -8.123 -4.468 74 H ASN 10 H ASN 10 11.721 -9.481 -2.775 75 HA ASN 10 HA ASN 10 9.672 -11.366 -2.776 76 HB2 ASN 10 1HB ASN 10 11.721 -12.203 -0.908 77 HB3 ASN 10 2HB ASN 10 11.221 -12.910 -2.450 78 HD21 ASN 10 2HD2 ASN 10 13.632 -11.170 -0.770 79 HD22 ASN 10 1HD2 ASN 10 14.582 -10.714 -2.192 80 H ASN 11 H ASN 11 10.732 -9.277 -0.179 81 HA ASN 11 HA ASN 11 9.431 -10.755 1.973 82 HB2 ASN 11 1HB ASN 11 10.454 -7.893 1.901 83 HB3 ASN 11 2HB ASN 11 9.754 -8.667 3.283 84 HD21 ASN 11 2HD2 ASN 11 12.773 -8.034 2.149 85 HD22 ASN 11 1HD2 ASN 11 13.581 -9.270 3.083 86 H PHE 12 H PHE 12 8.583 -7.852 0.076 87 HA PHE 12 HA PHE 12 6.060 -7.298 1.048 88 HD1 PHE 12 HD2 PHE 12 4.055 -6.502 0.041 89 HD2 PHE 12 HD1 PHE 12 7.428 -4.359 -1.604 90 HE1 PHE 12 HE2 PHE 12 2.897 -4.358 0.446 91 HE2 PHE 12 HE1 PHE 12 6.231 -2.222 -1.260 92 HZ PHE 12 HZ PHE 12 4.041 -2.209 -0.177 93 HB2 PHE 12 1HB PHE 12 7.641 -6.553 -1.138 94 HB3 PHE 12 2HB PHE 12 6.289 -7.308 -1.936 95 H GLY 13 H GLY 13 6.978 -9.568 -1.531 96 HA2 GLY 13 1HA GLY 13 4.319 -10.557 -1.885 97 HA3 GLY 13 2HA GLY 13 5.785 -11.261 -2.541 98 H LYS 14 H LYS 14 6.837 -11.519 0.472 99 HA LYS 14 HA LYS 14 5.717 -14.095 1.096 100 HB2 LYS 14 1HB LYS 14 7.945 -13.884 1.823 101 HB3 LYS 14 2HB LYS 14 7.773 -12.176 2.186 102 HG2 LYS 14 1HG LYS 14 6.388 -12.715 4.097 103 HG3 LYS 14 2HG LYS 14 6.629 -14.452 3.813 104 HD2 LYS 14 1HD LYS 14 8.160 -13.851 5.517 105 HD3 LYS 14 2HD LYS 14 9.144 -13.950 4.040 106 HE2 LYS 14 1HE LYS 14 9.292 -11.568 3.853 107 HE3 LYS 14 2HE LYS 14 7.917 -11.318 4.920 108 HZ1 LYS 14 3HZ LYS 14 9.220 -12.048 6.761 109 HZ2 LYS 14 1HZ LYS 14 10.535 -12.319 5.795 110 HZ3 LYS 14 2HZ LYS 14 9.950 -10.785 6.011 111 H ALA 15 H ALA 15 5.521 -10.690 2.428 112 HA ALA 15 HA ALA 15 3.548 -11.303 4.339 113 HB1 ALA 15 1HB ALA 15 3.118 -8.884 4.379 114 HB2 ALA 15 2HB ALA 15 4.857 -9.164 4.238 115 HB3 ALA 15 3HB ALA 15 3.941 -8.685 2.814 116 H MET 16 H MET 16 3.049 -10.566 0.810 117 HA MET 16 HA MET 16 0.256 -10.367 0.990 118 HB2 MET 16 1HB MET 16 1.732 -9.608 -0.909 119 HB3 MET 16 2HB MET 16 2.117 -11.274 -1.267 120 HG2 MET 16 1HG MET 16 0.282 -10.414 -2.730 121 HG3 MET 16 2HG MET 16 -0.019 -11.865 -1.767 122 HE1 MET 16 3HE MET 16 -2.734 -10.981 -2.885 123 HE2 MET 16 1HE MET 16 -2.347 -12.207 -1.661 124 HE3 MET 16 2HE MET 16 -3.659 -11.073 -1.357 125 H ASP 17 H ASP 17 2.504 -13.017 0.434 126 HA ASP 17 HA ASP 17 0.678 -15.172 -0.024 127 HB2 ASP 17 1HB ASP 17 3.238 -15.080 -0.351 128 HB3 ASP 17 2HB ASP 17 3.366 -15.421 1.383 129 H GLN 18 H GLN 18 2.159 -13.966 2.990 130 HA GLN 18 HA GLN 18 0.919 -15.715 4.822 131 HB2 GLN 18 1HB GLN 18 1.581 -12.781 5.251 132 HB3 GLN 18 2HB GLN 18 1.219 -13.987 6.481 133 HG2 GLN 18 1HG GLN 18 3.149 -15.371 5.374 134 HG3 GLN 18 2HG GLN 18 3.627 -13.832 4.674 135 HE21 GLN 18 2HE2 GLN 18 5.324 -15.182 6.232 136 HE22 GLN 18 1HE2 GLN 18 5.435 -14.424 7.827 137 H CYS 19 H CYS 19 -0.369 -12.694 3.342 138 HA CYS 19 HA CYS 19 -2.808 -12.678 4.893 139 HB2 CYS 19 1HB CYS 19 -1.962 -11.233 2.336 140 HB3 CYS 19 2HB CYS 19 -3.420 -10.886 3.268 141 H LYS 20 H LYS 20 -1.846 -13.657 1.618 142 HA LYS 20 HA LYS 20 -4.329 -14.613 0.657 143 HB2 LYS 20 1HB LYS 20 -2.290 -14.087 -0.645 144 HB3 LYS 20 2HB LYS 20 -1.459 -15.423 0.115 145 HG2 LYS 20 1HG LYS 20 -3.071 -17.006 -0.996 146 HG3 LYS 20 2HG LYS 20 -3.775 -15.599 -1.797 147 HD2 LYS 20 1HD LYS 20 -2.185 -16.424 -3.351 148 HD3 LYS 20 2HD LYS 20 -1.332 -15.087 -2.599 149 HE2 LYS 20 1HE LYS 20 0.244 -16.448 -1.695 150 HE3 LYS 20 2HE LYS 20 -0.961 -17.574 -1.062 151 HZ1 LYS 20 3HZ LYS 20 0.453 -18.595 -2.705 152 HZ2 LYS 20 1HZ LYS 20 -1.099 -18.556 -3.248 153 HZ3 LYS 20 2HZ LYS 20 -0.004 -17.488 -3.842 154 H ASP 21 H ASP 21 -2.296 -15.882 3.162 155 HA ASP 21 HA ASP 21 -3.518 -18.560 2.943 156 HB2 ASP 21 1HB ASP 21 -1.028 -18.353 2.977 157 HB3 ASP 21 2HB ASP 21 -1.123 -17.599 4.570 158 H GLU 22 H GLU 22 -2.689 -16.200 5.489 159 HA GLU 22 HA GLU 22 -4.295 -17.333 7.545 160 HB2 GLU 22 1HB GLU 22 -3.285 -14.482 7.050 161 HB3 GLU 22 2HB GLU 22 -4.120 -15.005 8.511 162 HG2 GLU 22 1HG GLU 22 -2.364 -16.842 8.717 163 HG3 GLU 22 2HG GLU 22 -1.413 -15.964 7.517 164 H LEU 23 H LEU 23 -4.973 -15.059 4.907 165 HA LEU 23 HA LEU 23 -7.847 -14.988 5.843 166 HG LEU 23 HG LEU 23 -5.737 -12.578 5.910 167 HB2 LEU 23 1HB LEU 23 -6.569 -13.354 3.670 168 HB3 LEU 23 2HB LEU 23 -8.197 -13.251 4.238 169 HD11 LEU 23 1HD1 LEU 23 -7.756 -10.819 4.464 170 HD12 LEU 23 2HD1 LEU 23 -6.533 -10.226 5.600 171 HD13 LEU 23 3HD1 LEU 23 -6.027 -10.993 4.086 172 HD21 LEU 23 3HD2 LEU 23 -7.583 -13.275 7.362 173 HD22 LEU 23 1HD2 LEU 23 -7.390 -11.529 7.457 174 HD23 LEU 23 2HD2 LEU 23 -8.717 -12.209 6.495 175 H SER 24 H SER 24 -5.816 -16.573 3.498 176 HA SER 24 HA SER 24 -6.296 -18.022 1.850 177 HG SER 24 HG SER 24 -7.198 -20.176 2.076 178 HB2 SER 24 1HB SER 24 -7.889 -18.817 3.688 179 HB3 SER 24 2HB SER 24 -9.178 -18.198 2.648 180 H LEU 25 H LEU 25 -6.180 -15.378 1.108 181 HA LEU 25 HA LEU 25 -8.507 -14.560 -0.381 182 HG LEU 25 HG LEU 25 -6.064 -12.552 1.350 183 HB2 LEU 25 1HB LEU 25 -5.686 -13.404 -0.775 184 HB3 LEU 25 2HB LEU 25 -7.223 -12.777 -1.350 185 HD11 LEU 25 1HD1 LEU 25 -6.982 -10.382 1.137 186 HD12 LEU 25 2HD1 LEU 25 -6.474 -10.804 -0.527 187 HD13 LEU 25 3HD1 LEU 25 -8.162 -10.898 -0.082 188 HD21 LEU 25 3HD2 LEU 25 -8.051 -13.759 2.081 189 HD22 LEU 25 1HD2 LEU 25 -8.375 -12.013 2.292 190 HD23 LEU 25 2HD2 LEU 25 -9.074 -12.945 0.966 191 HA PRO 26 HA PRO 26 -8.027 -17.188 -3.873 192 HB2 PRO 26 1HB PRO 26 -9.529 -15.906 -5.795 193 HB3 PRO 26 2HB PRO 26 -10.262 -16.669 -4.361 194 HG2 PRO 26 1HG PRO 26 -9.474 -13.780 -4.743 195 HG3 PRO 26 2HG PRO 26 -11.046 -14.384 -4.158 196 HD2 PRO 26 1HD PRO 26 -9.087 -13.488 -2.500 197 HD3 PRO 26 2HD PRO 26 -10.090 -14.879 -2.049 198 H ASP 27 H ASP 27 -7.056 -17.361 -5.985 199 HA ASP 27 HA ASP 27 -4.778 -15.683 -6.270 200 HB2 ASP 27 1HB ASP 27 -5.045 -18.082 -7.058 201 HB3 ASP 27 2HB ASP 27 -5.822 -17.436 -8.503 202 H SER 28 H SER 28 -7.945 -15.359 -7.528 203 HA SER 28 HA SER 28 -7.487 -13.626 -9.764 204 HG SER 28 HG SER 28 -10.782 -12.538 -9.562 205 HB2 SER 28 1HB SER 28 -9.644 -14.872 -9.342 206 HB3 SER 28 2HB SER 28 -9.948 -13.738 -8.020 207 H VAL 29 H VAL 29 -8.342 -13.136 -6.260 208 HA VAL 29 HA VAL 29 -8.126 -10.274 -6.566 209 HB VAL 29 HB VAL 29 -8.442 -11.954 -4.054 210 HG11 VAL 29 1HG1 VAL 29 -8.264 -8.951 -4.549 211 HG12 VAL 29 2HG1 VAL 29 -9.148 -9.607 -3.178 212 HG13 VAL 29 3HG1 VAL 29 -7.411 -9.920 -3.329 213 HG21 VAL 29 3HG2 VAL 29 -10.402 -11.909 -5.686 214 HG22 VAL 29 1HG2 VAL 29 -10.751 -11.125 -4.148 215 HG23 VAL 29 2HG2 VAL 29 -10.389 -10.148 -5.586 216 H VAL 30 H VAL 30 -5.876 -12.876 -5.591 217 HA VAL 30 HA VAL 30 -3.806 -11.145 -4.639 218 HB VAL 30 HB VAL 30 -3.691 -13.863 -6.004 219 HG11 VAL 30 1HG1 VAL 30 -1.492 -14.201 -4.939 220 HG12 VAL 30 2HG1 VAL 30 -1.462 -12.889 -6.116 221 HG13 VAL 30 3HG1 VAL 30 -1.506 -12.511 -4.380 222 HG21 VAL 30 3HG2 VAL 30 -3.248 -13.594 -3.048 223 HG22 VAL 30 1HG2 VAL 30 -4.903 -13.493 -3.620 224 HG23 VAL 30 2HG2 VAL 30 -3.939 -14.914 -3.999 225 H ALA 31 H ALA 31 -4.413 -12.552 -7.915 226 HA ALA 31 HA ALA 31 -2.228 -11.245 -9.180 227 HB1 ALA 31 1HB ALA 31 -3.378 -11.847 -11.253 228 HB2 ALA 31 2HB ALA 31 -3.458 -13.215 -10.123 229 HB3 ALA 31 3HB ALA 31 -4.884 -12.186 -10.372 230 H ASP 32 H ASP 32 -5.662 -10.409 -8.711 231 HA ASP 32 HA ASP 32 -5.626 -7.939 -10.168 232 HB2 ASP 32 1HB ASP 32 -7.345 -9.028 -7.961 233 HB3 ASP 32 2HB ASP 32 -7.456 -7.350 -8.360 234 H LEU 33 H LEU 33 -4.798 -8.631 -6.735 235 HA LEU 33 HA LEU 33 -4.538 -5.906 -6.034 236 HG LEU 33 HG LEU 33 -5.012 -7.277 -3.056 237 HB2 LEU 33 1HB LEU 33 -4.031 -8.438 -4.703 238 HB3 LEU 33 2HB LEU 33 -2.577 -7.539 -4.602 239 HD11 LEU 33 1HD1 LEU 33 -2.315 -5.901 -2.829 240 HD12 LEU 33 2HD1 LEU 33 -3.499 -6.099 -1.524 241 HD13 LEU 33 3HD1 LEU 33 -2.701 -7.528 -2.214 242 HD21 LEU 33 3HD2 LEU 33 -5.665 -5.306 -4.348 243 HD22 LEU 33 1HD2 LEU 33 -5.113 -4.835 -2.753 244 HD23 LEU 33 2HD2 LEU 33 -4.041 -4.602 -4.148 245 H TYR 34 H TYR 34 -2.056 -8.237 -7.152 246 HA TYR 34 HA TYR 34 0.048 -6.310 -7.252 247 HD1 TYR 34 HD2 TYR 34 2.602 -7.211 -7.495 248 HD2 TYR 34 HD1 TYR 34 -0.315 -10.311 -6.854 249 HE1 TYR 34 HE2 TYR 34 3.990 -8.135 -5.635 250 HE2 TYR 34 HE1 TYR 34 1.076 -11.285 -5.061 251 HH TYR 34 HH TYR 34 3.357 -11.267 -4.134 252 HB2 TYR 34 1HB TYR 34 -0.483 -8.854 -8.799 253 HB3 TYR 34 2HB TYR 34 0.871 -7.812 -9.224 254 H ASN 35 H ASN 35 -2.638 -6.909 -9.521 255 HA ASN 35 HA ASN 35 -1.670 -5.093 -11.567 256 HB2 ASN 35 1HB ASN 35 -4.274 -6.511 -11.039 257 HB3 ASN 35 2HB ASN 35 -4.280 -5.144 -12.118 258 HD21 ASN 35 2HD2 ASN 35 -3.812 -8.512 -12.035 259 HD22 ASN 35 1HD2 ASN 35 -2.976 -8.645 -13.578 260 H PHE 36 H PHE 36 -3.375 -4.560 -8.509 261 HA PHE 36 HA PHE 36 -4.657 -2.200 -9.282 262 HD1 PHE 36 HD2 PHE 36 -6.861 -1.710 -7.865 263 HD2 PHE 36 HD1 PHE 36 -3.574 -1.069 -5.172 264 HE1 PHE 36 HE2 PHE 36 -7.909 0.408 -7.077 265 HE2 PHE 36 HE1 PHE 36 -4.644 0.989 -4.323 266 HZ PHE 36 HZ PHE 36 -6.810 1.725 -5.249 267 HB2 PHE 36 1HB PHE 36 -5.057 -3.578 -7.152 268 HB3 PHE 36 2HB PHE 36 -3.554 -2.938 -6.526 269 H TRP 37 H TRP 37 -1.330 -2.693 -8.415 270 HA TRP 37 HA TRP 37 -0.784 0.221 -8.714 271 HD1 TRP 37 HD1 TRP 37 0.197 -3.686 -6.785 272 HE1 TRP 37 HE1 TRP 37 -0.884 -4.333 -4.633 273 HE3 TRP 37 HE3 TRP 37 -1.004 0.993 -5.103 274 HZ2 TRP 37 HZ2 TRP 37 -2.295 -2.999 -2.432 275 HZ3 TRP 37 HZ3 TRP 37 -2.205 1.279 -2.944 276 HH2 TRP 37 HH2 TRP 37 -2.857 -0.710 -1.611 277 HB2 TRP 37 1HB TRP 37 1.391 -1.276 -7.522 278 HB3 TRP 37 2HB TRP 37 0.581 0.164 -6.991 279 H LYS 38 H LYS 38 -1.196 -1.875 -10.817 280 HA LYS 38 HA LYS 38 1.358 -1.527 -12.331 281 HB2 LYS 38 1HB LYS 38 -1.121 -3.221 -12.774 282 HB3 LYS 38 2HB LYS 38 -0.020 -2.814 -14.099 283 HG2 LYS 38 1HG LYS 38 1.895 -3.756 -12.721 284 HG3 LYS 38 2HG LYS 38 0.708 -4.312 -11.557 285 HD2 LYS 38 1HD LYS 38 -0.219 -5.264 -14.062 286 HD3 LYS 38 2HD LYS 38 1.521 -5.477 -14.130 287 HE2 LYS 38 1HE LYS 38 1.526 -6.846 -12.118 288 HE3 LYS 38 2HE LYS 38 -0.149 -6.435 -11.765 289 HZ1 LYS 38 3HZ LYS 38 -0.043 -8.599 -12.713 290 HZ2 LYS 38 1HZ LYS 38 -0.797 -7.635 -13.801 291 HZ3 LYS 38 2HZ LYS 38 0.770 -8.077 -14.042 292 H ASP 39 H ASP 39 -2.161 -1.241 -13.112 293 HA ASP 39 HA ASP 39 -1.507 1.283 -14.541 294 HB2 ASP 39 1HB ASP 39 -3.897 -0.478 -15.089 295 HB3 ASP 39 2HB ASP 39 -3.369 0.938 -15.954 296 H ASP 40 H ASP 40 -4.492 -0.135 -13.438 297 HA ASP 40 HA ASP 40 -5.527 2.182 -12.000 298 HB2 ASP 40 1HB ASP 40 -6.632 3.183 -13.750 299 HB3 ASP 40 2HB ASP 40 -5.065 2.869 -14.473 300 H TYR 41 H TYR 41 -5.622 -1.032 -12.383 301 HA TYR 41 HA TYR 41 -8.313 -1.736 -12.868 302 HD1 TYR 41 HD1 TYR 41 -6.552 -3.388 -9.252 303 HD2 TYR 41 HD2 TYR 41 -8.970 -4.832 -12.505 304 HE1 TYR 41 HE1 TYR 41 -7.914 -4.586 -7.632 305 HE2 TYR 41 HE2 TYR 41 -10.208 -6.284 -10.934 306 HH TYR 41 HH TYR 41 -9.927 -7.248 -8.722 307 HB2 TYR 41 1HB TYR 41 -6.828 -3.530 -12.874 308 HB3 TYR 41 2HB TYR 41 -5.938 -2.937 -11.474 309 H VAL 42 H VAL 42 -10.075 -2.056 -11.457 310 HA VAL 42 HA VAL 42 -9.941 -0.529 -8.892 311 HB VAL 42 HB VAL 42 -12.095 -0.935 -10.943 312 HG11 VAL 42 1HG1 VAL 42 -13.400 -1.522 -9.101 313 HG12 VAL 42 2HG1 VAL 42 -12.579 -0.386 -8.032 314 HG13 VAL 42 3HG1 VAL 42 -13.679 0.208 -9.303 315 HG21 VAL 42 3HG2 VAL 42 -11.069 1.470 -9.410 316 HG22 VAL 42 1HG2 VAL 42 -10.558 1.000 -11.050 317 HG23 VAL 42 2HG2 VAL 42 -12.221 1.498 -10.753 318 H MET 43 H MET 43 -9.943 -1.605 -7.121 319 HA MET 43 HA MET 43 -10.326 -4.425 -6.786 320 HB2 MET 43 1HB MET 43 -10.291 -2.029 -4.916 321 HB3 MET 43 2HB MET 43 -10.514 -3.676 -4.337 322 HG2 MET 43 1HG MET 43 -8.343 -4.295 -5.457 323 HG3 MET 43 2HG MET 43 -8.112 -2.603 -5.868 324 HE1 MET 43 3HE MET 43 -9.074 -1.025 -3.193 325 HE2 MET 43 1HE MET 43 -7.404 -0.828 -2.595 326 HE3 MET 43 2HE MET 43 -7.750 -0.784 -4.344 327 H THR 44 H THR 44 -12.321 -5.398 -7.180 328 HA THR 44 HA THR 44 -14.765 -3.963 -6.345 329 HB THR 44 HB THR 44 -15.863 -5.822 -7.601 330 HG1 THR 44 1HG THR 44 -14.580 -7.096 -8.898 331 HG21 THR 44 3HG2 THR 44 -15.346 -4.929 -9.800 332 HG22 THR 44 1HG2 THR 44 -15.291 -3.599 -8.638 333 HG23 THR 44 2HG2 THR 44 -13.789 -4.296 -9.230 334 H ASP 45 H ASP 45 -12.914 -6.898 -5.465 335 HA ASP 45 HA ASP 45 -15.089 -7.831 -3.708 336 HB2 ASP 45 1HB ASP 45 -13.424 -9.336 -4.995 337 HB3 ASP 45 2HB ASP 45 -12.258 -8.926 -3.758 338 H ARG 46 H ARG 46 -15.116 -7.628 -1.495 339 HA ARG 46 HA ARG 46 -13.702 -5.615 -0.100 340 HE ARG 46 HE ARG 46 -15.140 -11.002 1.917 341 HB2 ARG 46 1HB ARG 46 -14.549 -6.530 1.927 342 HB3 ARG 46 2HB ARG 46 -15.793 -6.813 0.701 343 HG2 ARG 46 1HG ARG 46 -14.824 -9.148 0.430 344 HG3 ARG 46 2HG ARG 46 -13.793 -8.816 1.831 345 HD2 ARG 46 1HD ARG 46 -15.813 -8.456 3.201 346 HD3 ARG 46 2HD ARG 46 -16.824 -8.913 1.810 347 HH11 ARG 46 2HH2 ARG 46 -17.191 -9.563 4.421 348 HH12 ARG 46 1HH2 ARG 46 -16.993 -10.877 5.543 349 HH21 ARG 46 2HH1 ARG 46 -14.986 -12.800 3.331 350 HH22 ARG 46 1HH1 ARG 46 -15.614 -12.706 4.957 351 H LEU 47 H LEU 47 -12.722 -9.163 -0.635 352 HA LEU 47 HA LEU 47 -10.616 -9.448 0.841 353 HG LEU 47 HG LEU 47 -10.415 -11.903 -0.008 354 HB2 LEU 47 1HB LEU 47 -11.525 -10.150 -1.946 355 HB3 LEU 47 2HB LEU 47 -9.910 -10.587 -1.481 356 HD11 LEU 47 1HD1 LEU 47 -12.428 -12.510 1.267 357 HD12 LEU 47 2HD1 LEU 47 -11.418 -11.168 1.760 358 HD13 LEU 47 3HD1 LEU 47 -12.974 -10.847 0.893 359 HD21 LEU 47 3HD2 LEU 47 -11.296 -12.660 -2.154 360 HD22 LEU 47 1HD2 LEU 47 -11.840 -13.604 -0.749 361 HD23 LEU 47 2HD2 LEU 47 -12.925 -12.407 -1.504 362 H ALA 48 H ALA 48 -10.591 -7.417 -2.165 363 HA ALA 48 HA ALA 48 -7.730 -7.439 -2.236 364 HB1 ALA 48 1HB ALA 48 -9.612 -5.325 -3.282 365 HB2 ALA 48 2HB ALA 48 -7.970 -5.746 -3.867 366 HB3 ALA 48 3HB ALA 48 -9.316 -6.863 -4.107 367 H GLY 49 H GLY 49 -10.084 -5.206 -0.713 368 HA2 GLY 49 1HA GLY 49 -8.152 -3.532 0.627 369 HA3 GLY 49 2HA GLY 49 -9.850 -3.739 1.063 370 H CYS 50 H CYS 50 -9.722 -6.651 1.467 371 HA CYS 50 HA CYS 50 -8.764 -6.738 4.146 372 HB2 CYS 50 1HB CYS 50 -9.339 -9.168 2.339 373 HB3 CYS 50 2HB CYS 50 -9.099 -9.129 4.081 374 H ALA 51 H ALA 51 -7.239 -7.842 1.113 375 HA ALA 51 HA ALA 51 -4.853 -8.841 2.321 376 HB1 ALA 51 1HB ALA 51 -5.671 -8.013 -0.456 377 HB2 ALA 51 2HB ALA 51 -3.933 -8.168 -0.072 378 HB3 ALA 51 3HB ALA 51 -5.008 -9.543 0.155 379 H ILE 52 H ILE 52 -5.655 -5.544 0.982 380 HA ILE 52 HA ILE 52 -3.226 -4.329 1.643 381 HB ILE 52 HB ILE 52 -6.033 -3.151 1.623 382 HG12 ILE 52 1HG1 ILE 52 -3.726 -2.925 -0.379 383 HG13 ILE 52 2HG1 ILE 52 -5.067 -4.044 -0.546 384 HG21 ILE 52 1HG2 ILE 52 -4.916 -0.904 1.533 385 HG22 ILE 52 2HG2 ILE 52 -4.596 -1.713 3.052 386 HG23 ILE 52 3HG2 ILE 52 -3.350 -1.708 1.790 387 HD11 ILE 52 3HD1 ILE 52 -6.648 -2.106 -0.667 388 HD12 ILE 52 1HD1 ILE 52 -5.253 -1.000 -0.636 389 HD13 ILE 52 2HD1 ILE 52 -5.438 -2.126 -1.971 390 H ASN 53 H ASN 53 -6.130 -4.480 3.861 391 HA ASN 53 HA ASN 53 -4.677 -3.242 5.966 392 HB2 ASN 53 1HB ASN 53 -6.398 -3.710 7.430 393 HB3 ASN 53 2HB ASN 53 -7.171 -3.469 5.875 394 HD21 ASN 53 2HD2 ASN 53 -8.984 -4.710 6.020 395 HD22 ASN 53 1HD2 ASN 53 -9.018 -6.415 6.516 396 H CYS 54 H CYS 54 -4.681 -6.614 4.955 397 HA CYS 54 HA CYS 54 -3.444 -7.563 7.397 398 HB2 CYS 54 1HB CYS 54 -4.690 -9.050 6.060 399 HB3 CYS 54 2HB CYS 54 -3.761 -8.701 4.608 400 H LEU 55 H LEU 55 -2.218 -6.590 4.152 401 HA LEU 55 HA LEU 55 0.567 -6.880 4.772 402 HG LEU 55 HG LEU 55 0.742 -5.923 1.216 403 HB2 LEU 55 1HB LEU 55 -0.914 -5.008 2.887 404 HB3 LEU 55 2HB LEU 55 0.792 -4.838 3.188 405 HD11 LEU 55 1HD1 LEU 55 1.044 -8.283 3.083 406 HD12 LEU 55 2HD1 LEU 55 1.840 -7.992 1.518 407 HD13 LEU 55 3HD1 LEU 55 2.246 -6.982 2.915 408 HD21 LEU 55 3HD2 LEU 55 -1.590 -6.612 1.113 409 HD22 LEU 55 1HD2 LEU 55 -0.505 -7.906 0.615 410 HD23 LEU 55 2HD2 LEU 55 -1.257 -7.966 2.227 411 H ALA 56 H ALA 56 -1.733 -4.388 5.718 412 HA ALA 56 HA ALA 56 0.204 -2.446 6.708 413 HB1 ALA 56 1HB ALA 56 -2.767 -2.689 7.356 414 HB2 ALA 56 2HB ALA 56 -1.772 -1.248 7.410 415 HB3 ALA 56 3HB ALA 56 -2.181 -1.970 5.841 416 H THR 57 H THR 57 -1.242 -5.343 8.043 417 HA THR 57 HA THR 57 -0.459 -4.564 10.775 418 HB THR 57 HB THR 57 -2.611 -5.892 9.850 419 HG1 THR 57 1HG THR 57 -2.279 -5.189 11.977 420 HG21 THR 57 3HG2 THR 57 -0.958 -8.190 10.894 421 HG22 THR 57 1HG2 THR 57 -2.553 -8.204 10.079 422 HG23 THR 57 2HG2 THR 57 -1.091 -7.867 9.168 423 H LYS 58 H LYS 58 1.193 -5.511 7.968 424 HA LYS 58 HA LYS 58 2.931 -7.406 9.355 425 HB2 LYS 58 1HB LYS 58 1.397 -7.498 6.798 426 HB3 LYS 58 2HB LYS 58 3.007 -8.159 6.719 427 HG2 LYS 58 1HG LYS 58 2.627 -9.497 8.724 428 HG3 LYS 58 2HG LYS 58 0.944 -8.915 8.789 429 HD2 LYS 58 1HD LYS 58 0.780 -9.719 6.299 430 HD3 LYS 58 2HD LYS 58 2.224 -10.678 6.648 431 HE2 LYS 58 1HE LYS 58 -0.435 -10.794 8.165 432 HE3 LYS 58 2HE LYS 58 0.045 -11.910 6.878 433 HZ1 LYS 58 3HZ LYS 58 0.465 -12.882 8.959 434 HZ2 LYS 58 1HZ LYS 58 1.920 -12.602 8.290 435 HZ3 LYS 58 2HZ LYS 58 1.387 -11.641 9.511 436 H LEU 59 H LEU 59 3.473 -4.601 9.369 437 HA LEU 59 HA LEU 59 4.875 -3.852 7.012 438 HG LEU 59 HG LEU 59 3.874 -0.797 8.900 439 HB2 LEU 59 1HB LEU 59 5.493 -2.634 9.716 440 HB3 LEU 59 2HB LEU 59 5.726 -1.961 8.108 441 HD11 LEU 59 1HD1 LEU 59 2.542 -3.026 7.370 442 HD12 LEU 59 2HD1 LEU 59 2.030 -1.348 7.572 443 HD13 LEU 59 3HD1 LEU 59 3.492 -1.703 6.645 444 HD21 LEU 59 3HD2 LEU 59 2.459 -3.221 9.954 445 HD22 LEU 59 1HD2 LEU 59 3.549 -2.203 10.928 446 HD23 LEU 59 2HD2 LEU 59 2.113 -1.501 10.181 447 H ASP 60 H ASP 60 5.974 -5.870 9.700 448 HA ASP 60 HA ASP 60 8.788 -5.445 8.905 449 HB2 ASP 60 1HB ASP 60 9.320 -5.908 10.961 450 HB3 ASP 60 2HB ASP 60 7.648 -5.638 11.384 451 H VAL 61 H VAL 61 6.146 -7.441 8.178 452 HA VAL 61 HA VAL 61 7.817 -9.681 7.257 453 HB VAL 61 HB VAL 61 4.870 -9.174 6.797 454 HG11 VAL 61 1HG1 VAL 61 6.407 -11.783 6.641 455 HG12 VAL 61 2HG1 VAL 61 4.729 -11.456 6.182 456 HG13 VAL 61 3HG1 VAL 61 6.031 -10.765 5.232 457 HG21 VAL 61 3HG2 VAL 61 4.558 -10.959 8.589 458 HG22 VAL 61 1HG2 VAL 61 6.271 -10.738 8.995 459 HG23 VAL 61 2HG2 VAL 61 5.126 -9.402 9.186 460 H VAL 62 H VAL 62 5.867 -6.885 5.986 461 HA VAL 62 HA VAL 62 6.742 -7.037 3.259 462 HB VAL 62 HB VAL 62 6.083 -4.623 5.050 463 HG11 VAL 62 1HG1 VAL 62 5.434 -3.492 2.881 464 HG12 VAL 62 2HG1 VAL 62 7.163 -3.766 3.096 465 HG13 VAL 62 3HG1 VAL 62 6.227 -4.833 2.017 466 HG21 VAL 62 3HG2 VAL 62 3.871 -4.592 4.349 467 HG22 VAL 62 1HG2 VAL 62 4.138 -5.817 3.077 468 HG23 VAL 62 2HG2 VAL 62 4.142 -6.275 4.794 469 H ASP 63 H ASP 63 8.114 -5.136 6.033 470 HA ASP 63 HA ASP 63 10.660 -5.020 4.494 471 HB2 ASP 63 1HB ASP 63 9.499 -2.909 4.339 472 HB3 ASP 63 2HB ASP 63 9.369 -2.823 6.101 473 HA PRO 64 HA PRO 64 11.594 -6.827 8.630 474 HB2 PRO 64 1HB PRO 64 13.180 -8.899 7.735 475 HB3 PRO 64 2HB PRO 64 11.410 -9.013 7.865 476 HG2 PRO 64 1HG PRO 64 13.096 -8.333 5.457 477 HG3 PRO 64 2HG PRO 64 11.751 -9.520 5.581 478 HD2 PRO 64 1HD PRO 64 11.408 -7.021 4.566 479 HD3 PRO 64 2HD PRO 64 10.148 -7.787 5.578 480 H ASP 65 H ASP 65 13.091 -4.875 6.446 481 HA ASP 65 HA ASP 65 15.808 -5.031 7.551 482 HB2 ASP 65 1HB ASP 65 14.398 -2.959 5.852 483 HB3 ASP 65 2HB ASP 65 15.925 -2.650 6.648 484 H GLY 66 H GLY 66 12.705 -3.366 8.079 485 HA2 GLY 66 1HA GLY 66 12.058 -3.034 10.369 486 HA3 GLY 66 2HA GLY 66 13.689 -2.535 10.764 487 H ASN 67 H ASN 67 11.979 -1.213 7.801 488 HA ASN 67 HA ASN 67 12.372 1.432 9.041 489 HB2 ASN 67 1HB ASN 67 11.813 0.801 6.123 490 HB3 ASN 67 2HB ASN 67 12.275 2.331 6.832 491 HD21 ASN 67 2HD2 ASN 67 13.392 -0.905 6.020 492 HD22 ASN 67 1HD2 ASN 67 15.115 -0.534 6.187 493 H LEU 68 H LEU 68 10.006 -0.483 7.148 494 HA LEU 68 HA LEU 68 7.890 1.506 7.304 495 HG LEU 68 HG LEU 68 6.695 0.945 5.031 496 HB2 LEU 68 1HB LEU 68 8.308 -0.695 5.730 497 HB3 LEU 68 2HB LEU 68 7.297 -1.420 6.869 498 HD11 LEU 68 1HD1 LEU 68 6.627 -1.282 4.032 499 HD12 LEU 68 2HD1 LEU 68 5.446 -1.809 5.256 500 HD13 LEU 68 3HD1 LEU 68 5.010 -0.536 4.086 501 HD21 LEU 68 3HD2 LEU 68 5.477 1.567 6.994 502 HD22 LEU 68 1HD2 LEU 68 4.339 0.885 5.829 503 HD23 LEU 68 2HD2 LEU 68 4.889 -0.093 7.180 504 H HIS 69 H HIS 69 6.509 1.853 9.043 505 HA HIS 69 HA HIS 69 5.763 -0.418 10.733 506 HD1 HIS 69 HD1 HIS 69 7.972 -1.432 12.185 507 HD2 HIS 69 HD2 HIS 69 9.100 2.573 11.601 508 HE1 HIS 69 HE1 HIS 69 10.525 -1.404 11.930 509 HE2 HIS 69 HE2 HIS 69 11.194 1.065 11.568 510 HB2 HIS 69 1HB HIS 69 6.544 2.165 12.155 511 HB3 HIS 69 2HB HIS 69 6.082 0.663 12.850 512 H HIS 70 H HIS 70 3.866 0.382 12.248 513 HA HIS 70 HA HIS 70 1.925 1.718 10.607 514 HD1 HIS 70 HD1 HIS 70 2.227 -0.858 14.608 515 HD2 HIS 70 HD2 HIS 70 1.923 3.370 14.454 516 HE1 HIS 70 HE1 HIS 70 3.118 0.053 16.823 517 HE2 HIS 70 HE2 HIS 70 2.887 2.648 16.725 518 HB2 HIS 70 1HB HIS 70 0.472 1.677 12.565 519 HB3 HIS 70 2HB HIS 70 1.243 0.109 12.368 520 H GLY 71 H GLY 71 1.101 3.753 10.738 521 HA2 GLY 71 1HA GLY 71 1.221 5.995 10.697 522 HA3 GLY 71 2HA GLY 71 2.067 5.948 12.247 523 H ASN 72 H ASN 72 3.815 4.092 9.904 524 HA ASN 72 HA ASN 72 5.739 6.329 9.635 525 HB2 ASN 72 1HB ASN 72 5.844 4.841 11.810 526 HB3 ASN 72 2HB ASN 72 6.585 3.683 10.739 527 HD21 ASN 72 2HD2 ASN 72 8.598 4.206 9.643 528 HD22 ASN 72 1HD2 ASN 72 9.582 5.575 10.194 529 H ALA 73 H ALA 73 4.816 5.963 7.420 530 HA ALA 73 HA ALA 73 6.110 3.863 5.814 531 HB1 ALA 73 1HB ALA 73 3.983 5.009 5.091 532 HB2 ALA 73 2HB ALA 73 4.885 6.533 5.021 533 HB3 ALA 73 3HB ALA 73 5.316 5.193 3.947 534 H LYS 74 H LYS 74 7.167 6.632 7.553 535 HA LYS 74 HA LYS 74 8.335 8.027 5.408 536 HB2 LYS 74 1HB LYS 74 7.695 8.547 8.127 537 HB3 LYS 74 2HB LYS 74 9.440 8.790 8.048 538 HG2 LYS 74 1HG LYS 74 9.195 10.398 6.223 539 HG3 LYS 74 2HG LYS 74 7.524 9.877 5.971 540 HD2 LYS 74 1HD LYS 74 7.269 11.894 6.880 541 HD3 LYS 74 2HD LYS 74 6.914 10.766 8.202 542 HE2 LYS 74 1HE LYS 74 8.999 11.271 9.286 543 HE3 LYS 74 2HE LYS 74 9.600 12.172 7.880 544 HZ1 LYS 74 3HZ LYS 74 7.158 12.968 9.333 545 HZ2 LYS 74 1HZ LYS 74 8.649 13.525 9.741 546 HZ3 LYS 74 2HZ LYS 74 8.029 13.857 8.243 547 H ASP 75 H ASP 75 9.997 6.308 8.072 548 HA ASP 75 HA ASP 75 12.584 6.451 7.039 549 HB2 ASP 75 1HB ASP 75 11.302 4.096 8.480 550 HB3 ASP 75 2HB ASP 75 13.034 4.298 8.212 551 H PHE 76 H PHE 76 9.835 4.477 6.013 552 HA PHE 76 HA PHE 76 11.406 2.541 4.457 553 HD1 PHE 76 HD1 PHE 76 10.515 0.090 4.153 554 HD2 PHE 76 HD2 PHE 76 7.509 2.596 2.229 555 HE1 PHE 76 HE1 PHE 76 10.185 -1.608 2.403 556 HE2 PHE 76 HE2 PHE 76 7.178 0.862 0.555 557 HZ PHE 76 HZ PHE 76 8.517 -1.196 0.561 558 HB2 PHE 76 1HB PHE 76 9.222 1.954 5.405 559 HB3 PHE 76 2HB PHE 76 8.422 3.170 4.446 560 H ALA 77 H ALA 77 9.337 5.357 3.741 561 HA ALA 77 HA ALA 77 9.574 5.402 0.965 562 HB1 ALA 77 1HB ALA 77 8.566 7.595 1.161 563 HB2 ALA 77 2HB ALA 77 7.918 6.631 2.459 564 HB3 ALA 77 3HB ALA 77 9.204 7.811 2.806 565 H MET 78 H MET 78 11.607 6.928 3.471 566 HA MET 78 HA MET 78 13.378 8.246 1.662 567 HB2 MET 78 1HB MET 78 14.020 7.458 4.499 568 HB3 MET 78 2HB MET 78 14.774 8.716 3.504 569 HG2 MET 78 1HG MET 78 12.063 9.377 3.424 570 HG3 MET 78 2HG MET 78 12.308 8.721 5.035 571 HE1 MET 78 3HE MET 78 11.420 10.736 6.015 572 HE2 MET 78 1HE MET 78 11.911 12.407 5.651 573 HE3 MET 78 2HE MET 78 11.164 11.388 4.380 574 H LYS 79 H LYS 79 13.005 5.000 2.068 575 HA LYS 79 HA LYS 79 15.784 4.445 1.104 576 HB2 LYS 79 1HB LYS 79 13.931 2.860 2.885 577 HB3 LYS 79 2HB LYS 79 14.899 1.940 1.745 578 HG2 LYS 79 1HG LYS 79 16.088 3.974 3.655 579 HG3 LYS 79 2HG LYS 79 15.912 2.250 4.028 580 HD2 LYS 79 1HD LYS 79 17.293 1.695 2.015 581 HD3 LYS 79 2HD LYS 79 17.546 3.431 1.737 582 HE2 LYS 79 1HE LYS 79 18.538 3.612 4.029 583 HE3 LYS 79 2HE LYS 79 18.357 1.861 4.210 584 HZ1 LYS 79 3HZ LYS 79 19.801 1.620 2.241 585 HZ2 LYS 79 1HZ LYS 79 20.030 3.235 2.195 586 HZ3 LYS 79 2HZ LYS 79 20.558 2.354 3.507 587 H HIS 80 H HIS 80 12.682 4.885 -0.002 588 HA HIS 80 HA HIS 80 13.107 3.046 -2.319 589 HD1 HIS 80 HD1 HIS 80 11.413 0.147 -2.626 590 HD2 HIS 80 HD2 HIS 80 12.075 1.689 1.280 591 HE1 HIS 80 HE1 HIS 80 12.283 -1.786 -1.139 592 HE2 HIS 80 HE2 HIS 80 12.628 -0.836 1.209 593 HB2 HIS 80 1HB HIS 80 10.759 3.289 -0.475 594 HB3 HIS 80 2HB HIS 80 10.530 2.688 -2.114 595 H GLY 81 H GLY 81 12.911 6.262 -1.547 596 HA2 GLY 81 1HA GLY 81 13.485 7.355 -3.631 597 HA3 GLY 81 2HA GLY 81 12.039 6.703 -4.380 598 H ALA 82 H ALA 82 12.269 8.238 -1.079 599 HA ALA 82 HA ALA 82 10.914 10.614 -2.123 600 HB1 ALA 82 1HB ALA 82 9.100 10.368 -0.360 601 HB2 ALA 82 2HB ALA 82 9.027 9.136 -1.637 602 HB3 ALA 82 3HB ALA 82 9.744 8.757 -0.051 603 H ASP 83 H ASP 83 10.472 12.104 -0.148 604 HA ASP 83 HA ASP 83 12.660 12.081 1.818 605 HB2 ASP 83 1HB ASP 83 12.065 14.388 -0.080 606 HB3 ASP 83 2HB ASP 83 13.287 14.399 1.167 607 H GLU 84 H GLU 84 12.134 14.194 3.259 608 HA GLU 84 HA GLU 84 9.697 13.950 4.581 609 HB2 GLU 84 1HB GLU 84 11.546 16.342 4.255 610 HB3 GLU 84 2HB GLU 84 10.009 16.530 5.049 611 HG2 GLU 84 1HG GLU 84 10.966 15.990 6.953 612 HG3 GLU 84 2HG GLU 84 10.982 14.320 6.394 613 H THR 85 H THR 85 10.170 16.116 1.857 614 HA THR 85 HA THR 85 7.645 17.390 1.902 615 HB THR 85 HB THR 85 9.487 16.682 -0.429 616 HG1 THR 85 1HG THR 85 10.628 18.341 0.058 617 HG21 THR 85 3HG2 THR 85 8.506 18.713 -1.513 618 HG22 THR 85 1HG2 THR 85 7.315 17.436 -1.271 619 HG23 THR 85 2HG2 THR 85 7.330 18.839 -0.180 620 H MET 86 H MET 86 8.832 14.663 -0.093 621 HA MET 86 HA MET 86 6.344 14.119 -1.385 622 HB2 MET 86 1HB MET 86 8.898 12.532 -0.885 623 HB3 MET 86 2HB MET 86 7.560 11.884 -1.853 624 HG2 MET 86 1HG MET 86 7.769 13.679 -3.433 625 HG3 MET 86 2HG MET 86 8.927 14.535 -2.415 626 HE1 MET 86 3HE MET 86 9.786 10.790 -4.984 627 HE2 MET 86 1HE MET 86 8.772 10.649 -3.532 628 HE3 MET 86 2HE MET 86 8.260 11.675 -4.904 629 H ALA 87 H ALA 87 8.001 12.597 1.425 630 HA ALA 87 HA ALA 87 5.989 10.622 1.860 631 HB1 ALA 87 1HB ALA 87 7.140 10.217 3.912 632 HB2 ALA 87 2HB ALA 87 8.363 10.521 2.678 633 HB3 ALA 87 3HB ALA 87 7.976 11.794 3.855 634 H GLN 88 H GLN 88 6.363 14.067 3.114 635 HA GLN 88 HA GLN 88 4.095 13.749 4.876 636 HB2 GLN 88 1HB GLN 88 5.830 15.367 5.312 637 HB3 GLN 88 2HB GLN 88 5.719 16.086 3.742 638 HG2 GLN 88 1HG GLN 88 4.748 17.530 5.386 639 HG3 GLN 88 2HG GLN 88 3.419 16.911 4.407 640 HE21 GLN 88 2HE2 GLN 88 1.777 15.689 5.504 641 HE22 GLN 88 1HE2 GLN 88 1.881 15.293 7.232 642 H GLN 89 H GLN 89 4.534 14.773 1.486 643 HA GLN 89 HA GLN 89 1.897 15.803 1.061 644 HB2 GLN 89 1HB GLN 89 3.863 14.445 -0.843 645 HB3 GLN 89 2HB GLN 89 2.332 15.098 -1.351 646 HG2 GLN 89 1HG GLN 89 3.866 17.085 0.194 647 HG3 GLN 89 2HG GLN 89 4.772 16.419 -1.172 648 HE21 GLN 89 2HE2 GLN 89 4.276 17.023 -3.218 649 HE22 GLN 89 1HE2 GLN 89 2.961 18.063 -3.686 650 H LEU 90 H LEU 90 3.281 12.458 0.467 651 HA LEU 90 HA LEU 90 0.790 11.412 -0.295 652 HG LEU 90 HG LEU 90 4.092 10.945 -1.053 653 HB2 LEU 90 1HB LEU 90 3.174 9.973 0.962 654 HB3 LEU 90 2HB LEU 90 1.829 9.288 0.043 655 HD11 LEU 90 1HD1 LEU 90 3.204 8.126 -1.717 656 HD12 LEU 90 2HD1 LEU 90 4.633 8.982 -2.331 657 HD13 LEU 90 3HD1 LEU 90 4.533 8.549 -0.632 658 HD21 LEU 90 3HD2 LEU 90 1.536 10.142 -2.463 659 HD22 LEU 90 1HD2 LEU 90 2.171 11.783 -2.166 660 HD23 LEU 90 2HD2 LEU 90 3.015 10.717 -3.274 661 H VAL 91 H VAL 91 2.288 11.666 3.042 662 HA VAL 91 HA VAL 91 0.214 10.137 4.189 663 HB VAL 91 HB VAL 91 2.503 11.386 5.169 664 HG11 VAL 91 1HG1 VAL 91 0.130 12.362 6.778 665 HG12 VAL 91 2HG1 VAL 91 1.841 12.487 7.227 666 HG13 VAL 91 3HG1 VAL 91 1.226 13.384 5.833 667 HG21 VAL 91 3HG2 VAL 91 1.690 9.145 5.698 668 HG22 VAL 91 1HG2 VAL 91 1.979 10.063 7.186 669 HG23 VAL 91 2HG2 VAL 91 0.311 9.829 6.599 670 H ASP 92 H ASP 92 0.363 13.561 3.210 671 HA ASP 92 HA ASP 92 -2.087 14.263 4.537 672 HB2 ASP 92 1HB ASP 92 -0.213 15.835 3.792 673 HB3 ASP 92 2HB ASP 92 -0.899 15.718 2.171 674 H ILE 93 H ILE 93 -1.264 13.062 1.319 675 HA ILE 93 HA ILE 93 -3.811 13.291 0.075 676 HB ILE 93 HB ILE 93 -1.645 11.191 -0.314 677 HG12 ILE 93 1HG1 ILE 93 -1.206 13.787 -0.792 678 HG13 ILE 93 2HG1 ILE 93 -0.531 12.499 -1.770 679 HG21 ILE 93 1HG2 ILE 93 -4.065 11.819 -1.974 680 HG22 ILE 93 2HG2 ILE 93 -2.682 10.919 -2.638 681 HG23 ILE 93 3HG2 ILE 93 -3.618 10.273 -1.270 682 HD11 ILE 93 3HD1 ILE 93 -2.140 12.916 -3.525 683 HD12 ILE 93 1HD1 ILE 93 -3.035 14.053 -2.444 684 HD13 ILE 93 2HD1 ILE 93 -1.423 14.450 -3.023 685 H ILE 94 H ILE 94 -2.498 10.816 2.272 686 HA ILE 94 HA ILE 94 -4.868 9.100 1.950 687 HB ILE 94 HB ILE 94 -2.601 8.154 2.227 688 HG12 ILE 94 1HG1 ILE 94 -3.520 6.471 4.087 689 HG13 ILE 94 2HG1 ILE 94 -5.031 7.341 3.798 690 HG21 ILE 94 1HG2 ILE 94 -1.658 9.482 3.896 691 HG22 ILE 94 2HG2 ILE 94 -2.812 8.961 5.127 692 HG23 ILE 94 3HG2 ILE 94 -1.647 7.821 4.426 693 HD11 ILE 94 3HD1 ILE 94 -3.249 5.960 1.740 694 HD12 ILE 94 1HD1 ILE 94 -4.809 5.382 2.387 695 HD13 ILE 94 2HD1 ILE 94 -4.768 6.835 1.351 696 H HIS 95 H HIS 95 -3.578 11.415 4.369 697 HA HIS 95 HA HIS 95 -5.780 11.056 6.176 698 HD1 HIS 95 HD1 HIS 95 -2.150 13.709 7.783 699 HD2 HIS 95 HD2 HIS 95 -4.053 9.990 7.211 700 HE1 HIS 95 HE1 HIS 95 -0.915 11.970 9.276 701 HE2 HIS 95 HE2 HIS 95 -2.089 9.670 8.784 702 HB2 HIS 95 1HB HIS 95 -3.914 13.426 5.617 703 HB3 HIS 95 2HB HIS 95 -5.068 13.400 6.926 704 H GLY 96 H GLY 96 -5.506 12.837 3.140 705 HA2 GLY 96 1HA GLY 96 -8.002 14.314 3.547 706 HA3 GLY 96 2HA GLY 96 -7.149 14.065 2.014 707 H CYS 97 H CYS 97 -7.014 11.449 1.651 708 HA CYS 97 HA CYS 97 -9.560 10.796 0.686 709 HB2 CYS 97 1HB CYS 97 -6.971 9.285 1.082 710 HB3 CYS 97 2HB CYS 97 -8.395 8.454 0.481 711 H GLU 98 H GLU 98 -7.999 9.692 3.724 712 HA GLU 98 HA GLU 98 -9.858 7.645 4.242 713 HB2 GLU 98 1HB GLU 98 -8.846 7.392 6.325 714 HB3 GLU 98 2HB GLU 98 -7.523 8.016 5.304 715 HG2 GLU 98 1HG GLU 98 -7.775 10.192 6.089 716 HG3 GLU 98 2HG GLU 98 -9.237 9.734 6.965 717 H LYS 99 H LYS 99 -9.957 11.054 4.810 718 HA LYS 99 HA LYS 99 -12.336 11.069 6.503 719 HB2 LYS 99 1HB LYS 99 -10.490 13.132 5.311 720 HB3 LYS 99 2HB LYS 99 -12.135 13.654 5.632 721 HG2 LYS 99 1HG LYS 99 -10.645 14.149 7.494 722 HG3 LYS 99 2HG LYS 99 -11.982 13.095 7.964 723 HD2 LYS 99 1HD LYS 99 -10.540 11.161 8.020 724 HD3 LYS 99 2HD LYS 99 -9.195 12.092 7.306 725 HE2 LYS 99 1HE LYS 99 -9.207 13.558 9.338 726 HE3 LYS 99 2HE LYS 99 -10.456 12.519 10.041 727 HZ1 LYS 99 3HZ LYS 99 -7.747 11.589 9.258 728 HZ2 LYS 99 1HZ LYS 99 -8.287 11.902 10.806 729 HZ3 LYS 99 2HZ LYS 99 -8.936 10.683 9.937 730 H SER 100 H SER 100 -11.730 11.974 3.040 731 HA SER 100 HA SER 100 -14.496 12.503 2.584 732 HG SER 100 HG SER 100 -12.462 14.411 0.616 733 HB2 SER 100 1HB SER 100 -11.971 12.214 0.939 734 HB3 SER 100 2HB SER 100 -13.561 12.327 0.177 735 H ALA 101 H ALA 101 -12.929 9.442 2.926 736 HA ALA 101 HA ALA 101 -14.423 7.923 1.092 737 HB1 ALA 101 1HB ALA 101 -12.358 7.235 2.166 738 HB2 ALA 101 2HB ALA 101 -13.124 7.288 3.777 739 HB3 ALA 101 3HB ALA 101 -13.607 6.080 2.571 740 HA PRO 102 HA PRO 102 -18.335 7.964 2.673 741 HB2 PRO 102 1HB PRO 102 -19.355 5.416 2.268 742 HB3 PRO 102 2HB PRO 102 -18.934 6.561 0.961 743 HG2 PRO 102 1HG PRO 102 -17.301 4.282 2.079 744 HG3 PRO 102 2HG PRO 102 -17.563 4.714 0.358 745 HD2 PRO 102 1HD PRO 102 -15.339 5.383 1.754 746 HD3 PRO 102 2HD PRO 102 -15.962 6.498 0.513 747 HA PRO 103 HA PRO 103 -18.940 6.328 6.837 748 HB2 PRO 103 1HB PRO 103 -21.583 6.345 7.163 749 HB3 PRO 103 2HB PRO 103 -20.668 7.875 6.994 750 HG2 PRO 103 1HG PRO 103 -22.216 6.389 4.835 751 HG3 PRO 103 2HG PRO 103 -22.246 8.132 5.214 752 HD2 PRO 103 1HD PRO 103 -20.700 7.097 3.224 753 HD3 PRO 103 2HD PRO 103 -20.184 8.511 4.190 754 H ASN 104 H ASN 104 -18.031 4.361 6.097 755 HA ASN 104 HA ASN 104 -19.688 2.121 6.865 756 HB2 ASN 104 1HB ASN 104 -20.121 2.100 4.392 757 HB3 ASN 104 2HB ASN 104 -18.370 2.061 4.115 758 HD21 ASN 104 2HD2 ASN 104 -17.213 0.222 4.904 759 HD22 ASN 104 1HD2 ASN 104 -17.978 -1.366 5.056 760 H ASP 105 H ASP 105 -18.139 2.456 8.578 761 HA ASP 105 HA ASP 105 -15.271 2.522 7.980 762 HB2 ASP 105 1HB ASP 105 -15.275 3.790 9.733 763 HB3 ASP 105 2HB ASP 105 -16.954 3.486 10.071 764 H ASP 106 H ASP 106 -14.135 0.761 7.723 765 HA ASP 106 HA ASP 106 -14.934 -1.886 8.750 766 HB2 ASP 106 1HB ASP 106 -16.118 -1.207 6.388 767 HB3 ASP 106 2HB ASP 106 -14.507 -1.452 5.790 768 H LYS 107 H LYS 107 -13.208 -3.446 8.323 769 HA LYS 107 HA LYS 107 -10.538 -2.262 8.288 770 HB2 LYS 107 1HB LYS 107 -11.866 -4.781 9.084 771 HB3 LYS 107 2HB LYS 107 -10.441 -5.115 8.129 772 HG2 LYS 107 1HG LYS 107 -10.397 -3.165 10.436 773 HG3 LYS 107 2HG LYS 107 -10.246 -4.915 10.674 774 HD2 LYS 107 1HD LYS 107 -8.329 -4.945 9.074 775 HD3 LYS 107 2HD LYS 107 -8.345 -3.182 9.035 776 HE2 LYS 107 1HE LYS 107 -7.966 -4.885 11.541 777 HE3 LYS 107 2HE LYS 107 -6.643 -4.281 10.553 778 HZ1 LYS 107 3HZ LYS 107 -7.364 -2.039 11.023 779 HZ2 LYS 107 1HZ LYS 107 -8.544 -2.604 12.062 780 HZ3 LYS 107 2HZ LYS 107 -6.939 -2.857 12.353 781 H CYS 108 H CYS 108 -12.767 -3.977 6.080 782 HA CYS 108 HA CYS 108 -10.569 -4.001 4.067 783 HB2 CYS 108 1HB CYS 108 -13.189 -5.513 3.954 784 HB3 CYS 108 2HB CYS 108 -11.823 -5.611 2.862 785 H MET 109 H MET 109 -14.089 -3.338 4.357 786 HA MET 109 HA MET 109 -14.294 -2.462 1.708 787 HB2 MET 109 1HB MET 109 -16.044 -1.903 4.114 788 HB3 MET 109 2HB MET 109 -16.510 -1.389 2.516 789 HG2 MET 109 1HG MET 109 -15.788 -4.288 2.877 790 HG3 MET 109 2HG MET 109 -17.279 -3.719 3.611 791 HE1 MET 109 3HE MET 109 -16.039 -1.989 0.366 792 HE2 MET 109 1HE MET 109 -15.330 -3.609 0.158 793 HE3 MET 109 2HE MET 109 -16.634 -3.066 -0.928 794 H LYS 110 H LYS 110 -13.916 -0.352 4.618 795 HA LYS 110 HA LYS 110 -14.064 2.147 3.197 796 HB2 LYS 110 1HB LYS 110 -14.246 2.038 5.641 797 HB3 LYS 110 2HB LYS 110 -12.711 1.188 5.764 798 HG2 LYS 110 1HG LYS 110 -12.273 3.359 6.530 799 HG3 LYS 110 2HG LYS 110 -11.528 3.243 4.957 800 HD2 LYS 110 1HD LYS 110 -12.542 5.326 4.899 801 HD3 LYS 110 2HD LYS 110 -13.694 4.303 4.039 802 HE2 LYS 110 1HE LYS 110 -14.968 5.691 5.489 803 HE3 LYS 110 2HE LYS 110 -14.989 4.099 6.259 804 HZ1 LYS 110 3HZ LYS 110 -13.016 6.148 7.026 805 HZ2 LYS 110 1HZ LYS 110 -14.530 6.094 7.698 806 HZ3 LYS 110 2HZ LYS 110 -13.461 4.844 7.869 807 H THR 111 H THR 111 -11.273 0.133 4.176 808 HA THR 111 HA THR 111 -9.205 1.524 3.178 809 HB THR 111 HB THR 111 -9.473 -1.505 3.038 810 HG1 THR 111 1HG THR 111 -9.234 -1.494 5.268 811 HG21 THR 111 3HG2 THR 111 -7.151 -1.476 3.877 812 HG22 THR 111 1HG2 THR 111 -7.292 -0.633 2.324 813 HG23 THR 111 2HG2 THR 111 -7.166 0.299 3.826 814 H ILE 112 H ILE 112 -11.467 -0.409 1.206 815 HA ILE 112 HA ILE 112 -9.833 -0.378 -1.137 816 HB ILE 112 HB ILE 112 -12.805 -0.792 -0.659 817 HG12 ILE 112 1HG1 ILE 112 -10.498 -2.555 -1.616 818 HG13 ILE 112 2HG1 ILE 112 -11.193 -2.513 0.007 819 HG21 ILE 112 1HG2 ILE 112 -13.120 -1.437 -3.007 820 HG22 ILE 112 2HG2 ILE 112 -12.720 0.269 -2.869 821 HG23 ILE 112 3HG2 ILE 112 -11.473 -0.888 -3.390 822 HD11 ILE 112 3HD1 ILE 112 -13.379 -3.282 -0.949 823 HD12 ILE 112 1HD1 ILE 112 -12.534 -3.560 -2.496 824 HD13 ILE 112 2HD1 ILE 112 -12.032 -4.433 -1.041 825 H ASP 113 H ASP 113 -12.450 1.853 0.003 826 HA ASP 113 HA ASP 113 -12.269 3.580 -2.246 827 HB2 ASP 113 1HB ASP 113 -14.201 3.813 -0.691 828 HB3 ASP 113 2HB ASP 113 -13.103 4.335 0.579 829 H VAL 114 H VAL 114 -10.773 3.823 1.030 830 HA VAL 114 HA VAL 114 -9.502 6.280 0.544 831 HB VAL 114 HB VAL 114 -8.547 4.100 2.451 832 HG11 VAL 114 1HG1 VAL 114 -8.261 7.152 2.531 833 HG12 VAL 114 2HG1 VAL 114 -7.817 6.110 3.864 834 HG13 VAL 114 3HG1 VAL 114 -6.951 6.000 2.317 835 HG21 VAL 114 3HG2 VAL 114 -9.946 5.282 4.156 836 HG22 VAL 114 1HG2 VAL 114 -10.587 6.307 2.858 837 HG23 VAL 114 2HG2 VAL 114 -10.939 4.579 2.872 838 H ALA 115 H ALA 115 -8.310 2.956 -0.160 839 HA ALA 115 HA ALA 115 -5.731 3.739 -1.110 840 HB1 ALA 115 1HB ALA 115 -5.733 1.514 -2.178 841 HB2 ALA 115 2HB ALA 115 -6.298 1.421 -0.504 842 HB3 ALA 115 3HB ALA 115 -7.464 1.342 -1.832 843 H MET 116 H MET 116 -8.834 3.117 -2.947 844 HA MET 116 HA MET 116 -7.506 3.815 -5.417 845 HB2 MET 116 1HB MET 116 -9.671 3.657 -6.484 846 HB3 MET 116 2HB MET 116 -9.399 2.280 -5.425 847 HG2 MET 116 1HG MET 116 -10.957 3.111 -3.830 848 HG3 MET 116 2HG MET 116 -10.978 4.694 -4.524 849 HE1 MET 116 3HE MET 116 -11.366 1.456 -7.022 850 HE2 MET 116 1HE MET 116 -11.755 0.920 -5.360 851 HE3 MET 116 2HE MET 116 -13.032 1.071 -6.583 852 H CYS 117 H CYS 117 -9.165 5.704 -3.023 853 HA CYS 117 HA CYS 117 -9.541 8.112 -4.449 854 HB2 CYS 117 1HB CYS 117 -10.563 7.718 -2.289 855 HB3 CYS 117 2HB CYS 117 -9.001 7.512 -1.519 856 H PHE 118 H PHE 118 -6.765 6.877 -2.488 857 HA PHE 118 HA PHE 118 -5.027 9.043 -2.690 858 HD1 PHE 118 HD2 PHE 118 -2.082 6.732 -4.050 859 HD2 PHE 118 HD1 PHE 118 -3.207 8.022 -0.089 860 HE1 PHE 118 HE2 PHE 118 0.323 7.076 -3.425 861 HE2 PHE 118 HE1 PHE 118 -0.832 8.461 0.439 862 HZ PHE 118 HZ PHE 118 0.916 8.062 -1.327 863 HB2 PHE 118 1HB PHE 118 -4.763 6.813 -1.441 864 HB3 PHE 118 2HB PHE 118 -4.269 6.093 -2.965 865 H LYS 119 H LYS 119 -5.374 6.325 -5.044 866 HA LYS 119 HA LYS 119 -3.518 7.282 -6.935 867 HB2 LYS 119 1HB LYS 119 -4.709 5.010 -6.851 868 HB3 LYS 119 2HB LYS 119 -6.081 5.796 -7.642 869 HG2 LYS 119 1HG LYS 119 -4.534 6.468 -9.520 870 HG3 LYS 119 2HG LYS 119 -3.240 5.565 -8.745 871 HD2 LYS 119 1HD LYS 119 -5.867 4.478 -9.832 872 HD3 LYS 119 2HD LYS 119 -4.297 4.320 -10.592 873 HE2 LYS 119 1HE LYS 119 -5.119 3.032 -7.951 874 HE3 LYS 119 2HE LYS 119 -5.040 2.239 -9.524 875 HZ1 LYS 119 3HZ LYS 119 -2.627 2.911 -9.515 876 HZ2 LYS 119 1HZ LYS 119 -2.808 3.194 -7.907 877 HZ3 LYS 119 2HZ LYS 119 -3.106 1.675 -8.518 878 H LYS 120 H LYS 120 -6.920 8.361 -6.493 879 HA LYS 120 HA LYS 120 -6.979 9.965 -8.927 880 HB2 LYS 120 1HB LYS 120 -8.655 9.883 -6.413 881 HB3 LYS 120 2HB LYS 120 -8.721 11.302 -7.450 882 HG2 LYS 120 1HG LYS 120 -9.801 10.248 -9.125 883 HG3 LYS 120 2HG LYS 120 -8.865 8.770 -8.961 884 HD2 LYS 120 1HD LYS 120 -11.098 8.191 -8.479 885 HD3 LYS 120 2HD LYS 120 -10.241 8.197 -6.922 886 HE2 LYS 120 1HE LYS 120 -11.147 10.472 -6.485 887 HE3 LYS 120 2HE LYS 120 -12.005 10.415 -8.034 888 HZ1 LYS 120 3HZ LYS 120 -12.479 8.656 -5.704 889 HZ2 LYS 120 1HZ LYS 120 -13.457 9.824 -6.281 890 HZ3 LYS 120 2HZ LYS 120 -13.248 8.494 -7.177 891 H GLU 121 H GLU 121 -6.106 10.734 -5.427 892 HA GLU 121 HA GLU 121 -5.608 13.469 -6.053 893 HB2 GLU 121 1HB GLU 121 -5.211 11.510 -3.807 894 HB3 GLU 121 2HB GLU 121 -4.505 13.111 -3.699 895 HG2 GLU 121 1HG GLU 121 -7.441 12.689 -4.320 896 HG3 GLU 121 2HG GLU 121 -6.812 12.759 -2.692 897 H ILE 122 H ILE 122 -3.596 10.579 -6.437 898 HA ILE 122 HA ILE 122 -1.093 11.926 -6.571 899 HB ILE 122 HB ILE 122 -2.224 9.527 -7.973 900 HG12 ILE 122 1HG1 ILE 122 -0.585 9.901 -5.481 901 HG13 ILE 122 2HG1 ILE 122 -2.084 9.089 -5.675 902 HG21 ILE 122 1HG2 ILE 122 -0.078 8.849 -8.708 903 HG22 ILE 122 2HG2 ILE 122 -0.284 10.473 -9.307 904 HG23 ILE 122 3HG2 ILE 122 0.724 10.208 -7.858 905 HD11 ILE 122 3HD1 ILE 122 0.509 7.982 -6.737 906 HD12 ILE 122 1HD1 ILE 122 -0.335 7.466 -5.312 907 HD13 ILE 122 2HD1 ILE 122 -1.098 7.232 -6.891 908 H HIS 123 H HIS 123 -3.872 12.000 -8.910 909 HA HIS 123 HA HIS 123 -2.397 13.155 -11.056 910 HD1 HIS 123 HD1 HIS 123 -4.341 12.494 -13.822 911 HD2 HIS 123 HD2 HIS 123 -5.204 10.398 -10.265 912 HE1 HIS 123 HE1 HIS 123 -4.738 10.032 -14.484 913 HE2 HIS 123 HE2 HIS 123 -5.240 8.750 -12.341 914 HB2 HIS 123 1HB HIS 123 -5.348 13.272 -10.302 915 HB3 HIS 123 2HB HIS 123 -4.656 13.986 -11.713 916 H LYS 124 H LYS 124 -3.252 14.520 -7.866 917 HA LYS 124 HA LYS 124 -2.782 17.230 -9.026 918 HB2 LYS 124 1HB LYS 124 -3.790 18.176 -7.104 919 HB3 LYS 124 2HB LYS 124 -4.881 17.118 -7.954 920 HG2 LYS 124 1HG LYS 124 -5.294 16.832 -5.679 921 HG3 LYS 124 2HG LYS 124 -4.586 15.385 -6.276 922 HD2 LYS 124 1HD LYS 124 -3.729 15.608 -4.159 923 HD3 LYS 124 2HD LYS 124 -2.382 16.151 -5.123 924 HE2 LYS 124 1HE LYS 124 -4.442 17.874 -3.680 925 HE3 LYS 124 2HE LYS 124 -2.820 17.511 -3.085 926 HZ1 LYS 124 3HZ LYS 124 -2.820 19.661 -4.032 927 HZ2 LYS 124 1HZ LYS 124 -1.951 18.743 -5.084 928 HZ3 LYS 124 2HZ LYS 124 -3.510 19.194 -5.414 929 H LEU 125 H LEU 125 -0.953 14.807 -7.985 930 HA LEU 125 HA LEU 125 0.964 16.612 -6.570 931 HG LEU 125 HG LEU 125 -0.461 14.225 -5.251 932 HB2 LEU 125 1HB LEU 125 1.120 13.640 -7.207 933 HB3 LEU 125 2HB LEU 125 2.324 14.577 -6.390 934 HD11 LEU 125 1HD1 LEU 125 0.592 12.571 -3.802 935 HD12 LEU 125 2HD1 LEU 125 0.761 12.097 -5.495 936 HD13 LEU 125 3HD1 LEU 125 2.156 12.803 -4.656 937 HD21 LEU 125 3HD2 LEU 125 0.733 14.955 -3.135 938 HD22 LEU 125 1HD2 LEU 125 2.168 15.297 -4.102 939 HD23 LEU 125 2HD2 LEU 125 0.673 16.225 -4.359 940 H ASN 126 H ASN 126 0.284 14.835 -9.551 941 HA ASN 126 HA ASN 126 1.157 14.891 -11.612 942 HB2 ASN 126 1HB ASN 126 2.232 17.589 -10.735 943 HB3 ASN 126 2HB ASN 126 2.376 16.949 -12.367 944 HD21 ASN 126 2HD2 ASN 126 -0.027 17.848 -9.875 945 HD22 ASN 126 1HD2 ASN 126 -1.396 17.346 -10.866 946 H TRP 127 H TRP 127 2.741 13.975 -9.197 947 HA TRP 127 HA TRP 127 4.799 12.717 -10.921 948 HD1 TRP 127 HD1 TRP 127 4.570 15.474 -7.591 949 HE1 TRP 127 HE1 TRP 127 4.532 15.306 -5.076 950 HE3 TRP 127 HE3 TRP 127 5.923 10.598 -7.161 951 HZ2 TRP 127 HZ2 TRP 127 4.903 13.305 -3.085 952 HZ3 TRP 127 HZ3 TRP 127 6.187 9.584 -4.871 953 HH2 TRP 127 HH2 TRP 127 5.688 10.922 -2.845 954 HB2 TRP 127 1HB TRP 127 6.291 12.370 -9.045 955 HB3 TRP 127 2HB TRP 127 6.074 14.064 -9.370 956 H VAL 128 H VAL 128 5.375 10.463 -9.801 957 HA VAL 128 HA VAL 128 2.971 9.326 -8.560 958 HB VAL 128 HB VAL 128 2.877 9.020 -10.949 959 HG11 VAL 128 1HG1 VAL 128 5.015 6.927 -10.513 960 HG12 VAL 128 2HG1 VAL 128 4.155 7.272 -12.031 961 HG13 VAL 128 3HG1 VAL 128 5.265 8.477 -11.332 962 HG21 VAL 128 3HG2 VAL 128 1.578 7.621 -9.378 963 HG22 VAL 128 1HG2 VAL 128 2.045 6.709 -10.828 964 HG23 VAL 128 2HG2 VAL 128 2.922 6.453 -9.299 965 HA PRO 129 HA PRO 129 6.326 7.685 -6.093 966 HB2 PRO 129 1HB PRO 129 4.395 6.052 -4.627 967 HB3 PRO 129 2HB PRO 129 5.312 7.482 -4.075 968 HG2 PRO 129 1HG PRO 129 2.543 7.465 -4.476 969 HG3 PRO 129 2HG PRO 129 3.594 8.910 -4.487 970 HD2 PRO 129 1HD PRO 129 2.553 7.320 -6.809 971 HD3 PRO 129 2HD PRO 129 2.731 9.101 -6.589 972 H ASN 130 H ASN 130 7.249 5.592 -5.833 973 HA ASN 130 HA ASN 130 6.973 3.619 -7.897 974 HB2 ASN 130 1HB ASN 130 8.191 3.592 -5.082 975 HB3 ASN 130 2HB ASN 130 8.213 2.181 -6.134 976 HD21 ASN 130 2HD2 ASN 130 10.283 4.532 -5.210 977 HD22 ASN 130 1HD2 ASN 130 11.115 4.838 -6.681 978 H MET 131 H MET 131 6.237 1.355 -7.572 979 HA MET 131 HA MET 131 3.771 0.880 -6.352 980 HB2 MET 131 1HB MET 131 4.679 -0.714 -7.887 981 HB3 MET 131 2HB MET 131 6.148 -0.938 -6.923 982 HG2 MET 131 1HG MET 131 4.931 -2.028 -5.157 983 HG3 MET 131 2HG MET 131 3.379 -1.673 -5.924 984 HE1 MET 131 3HE MET 131 3.087 -2.361 -8.528 985 HE2 MET 131 1HE MET 131 3.055 -4.119 -8.810 986 HE3 MET 131 2HE MET 131 2.164 -3.411 -7.449 987 H ASP 132 H ASP 132 7.067 0.419 -4.963 988 HA ASP 132 HA ASP 132 6.275 -0.473 -2.432 989 HB2 ASP 132 1HB ASP 132 8.656 1.345 -3.007 990 HB3 ASP 132 2HB ASP 132 8.464 0.278 -1.616 991 H LEU 133 H LEU 133 7.009 2.866 -3.395 992 HA LEU 133 HA LEU 133 6.413 4.099 -0.993 993 HG LEU 133 HG LEU 133 8.576 4.684 -2.670 994 HB2 LEU 133 1HB LEU 133 6.293 5.069 -3.847 995 HB3 LEU 133 2HB LEU 133 5.923 6.142 -2.489 996 HD11 LEU 133 1HD1 LEU 133 9.505 6.794 -3.579 997 HD12 LEU 133 2HD1 LEU 133 8.423 6.038 -4.719 998 HD13 LEU 133 3HD1 LEU 133 7.876 7.451 -3.774 999 HD21 LEU 133 3HD2 LEU 133 7.890 5.724 -0.488 1000 HD22 LEU 133 1HD2 LEU 133 9.292 6.531 -1.212 1001 HD23 LEU 133 2HD2 LEU 133 7.657 7.263 -1.295 1002 H VAL 134 H VAL 134 4.191 3.605 -3.785 1003 HA VAL 134 HA VAL 134 1.942 4.985 -2.764 1004 HB VAL 134 HB VAL 134 2.143 2.545 -4.598 1005 HG11 VAL 134 1HG1 VAL 134 -0.140 3.042 -5.324 1006 HG12 VAL 134 2HG1 VAL 134 -0.119 2.647 -3.607 1007 HG13 VAL 134 3HG1 VAL 134 -0.264 4.340 -4.097 1008 HG21 VAL 134 3HG2 VAL 134 1.671 4.058 -6.440 1009 HG22 VAL 134 1HG2 VAL 134 1.552 5.447 -5.334 1010 HG23 VAL 134 2HG2 VAL 134 3.095 4.624 -5.607 1011 H ILE 135 H ILE 135 2.919 1.539 -2.427 1012 HA ILE 135 HA ILE 135 0.565 0.873 -0.902 1013 HB ILE 135 HB ILE 135 3.201 -0.592 -1.315 1014 HG12 ILE 135 1HG1 ILE 135 0.505 -1.123 -2.601 1015 HG13 ILE 135 2HG1 ILE 135 1.726 -0.146 -3.391 1016 HG21 ILE 135 1HG2 ILE 135 1.734 -2.607 -0.600 1017 HG22 ILE 135 2HG2 ILE 135 2.159 -1.457 0.648 1018 HG23 ILE 135 3HG2 ILE 135 0.525 -1.423 -0.065 1019 HD11 ILE 135 3HD1 ILE 135 1.931 -3.099 -2.713 1020 HD12 ILE 135 1HD1 ILE 135 1.926 -2.335 -4.300 1021 HD13 ILE 135 2HD1 ILE 135 3.322 -2.111 -3.229 1022 H GLY 136 H GLY 136 4.035 1.340 -0.011 1023 HA2 GLY 136 1HA GLY 136 3.998 0.957 2.657 1024 HA3 GLY 136 2HA GLY 136 4.973 2.206 1.892 1025 H GLU 137 H GLU 137 2.714 3.926 1.098 1026 HA GLU 137 HA GLU 137 2.232 5.378 3.558 1027 HB2 GLU 137 1HB GLU 137 1.133 5.526 0.730 1028 HB3 GLU 137 2HB GLU 137 0.379 6.422 2.023 1029 HG2 GLU 137 1HG GLU 137 2.532 7.211 0.438 1030 HG3 GLU 137 2HG GLU 137 1.699 8.052 1.758 1031 H VAL 138 H VAL 138 -0.077 3.533 1.415 1032 HA VAL 138 HA VAL 138 -2.242 3.853 3.126 1033 HB VAL 138 HB VAL 138 -2.062 2.961 0.658 1034 HG11 VAL 138 1HG1 VAL 138 -2.334 0.296 2.085 1035 HG12 VAL 138 2HG1 VAL 138 -2.607 0.599 0.356 1036 HG13 VAL 138 3HG1 VAL 138 -0.993 0.759 1.018 1037 HG21 VAL 138 3HG2 VAL 138 -4.117 3.531 1.720 1038 HG22 VAL 138 1HG2 VAL 138 -4.354 2.016 0.870 1039 HG23 VAL 138 2HG2 VAL 138 -4.151 2.013 2.647 1040 H LEU 139 H LEU 139 0.156 1.266 3.035 1041 HA LEU 139 HA LEU 139 -0.893 -0.345 5.116 1042 HG LEU 139 HG LEU 139 1.070 -0.780 2.385 1043 HB2 LEU 139 1HB LEU 139 2.036 0.028 4.374 1044 HB3 LEU 139 2HB LEU 139 1.364 -1.284 5.314 1045 HD11 LEU 139 1HD1 LEU 139 2.120 -3.087 4.045 1046 HD12 LEU 139 2HD1 LEU 139 2.026 -3.076 2.269 1047 HD13 LEU 139 3HD1 LEU 139 3.080 -1.924 3.102 1048 HD21 LEU 139 3HD2 LEU 139 -0.404 -2.697 2.154 1049 HD22 LEU 139 1HD2 LEU 139 -0.549 -2.786 3.930 1050 HD23 LEU 139 2HD2 LEU 139 -1.165 -1.386 3.054 1051 H ALA 140 H ALA 140 1.034 2.634 5.334 1052 HA ALA 140 HA ALA 140 1.695 2.114 8.151 1053 HB1 ALA 140 1HB ALA 140 2.618 4.436 7.990 1054 HB2 ALA 140 2HB ALA 140 3.278 3.339 6.754 1055 HB3 ALA 140 3HB ALA 140 2.034 4.539 6.329 1056 H GLU 141 H GLU 141 -0.677 3.992 6.232 1057 HA GLU 141 HA GLU 141 -1.662 5.444 8.514 1058 HB2 GLU 141 1HB GLU 141 -1.845 6.184 6.120 1059 HB3 GLU 141 2HB GLU 141 -3.025 4.923 5.822 1060 HG2 GLU 141 1HG GLU 141 -4.010 7.267 6.197 1061 HG3 GLU 141 2HG GLU 141 -4.665 6.009 7.207 1062 H VAL 142 H VAL 142 -2.891 2.668 6.661 1063 HA VAL 142 HA VAL 142 -5.104 1.963 8.324 1064 HB VAL 142 HB VAL 142 -3.417 0.493 6.211 1065 HG11 VAL 142 1HG1 VAL 142 -5.335 -1.034 5.923 1066 HG12 VAL 142 2HG1 VAL 142 -4.689 -1.171 7.570 1067 HG13 VAL 142 3HG1 VAL 142 -6.190 -0.267 7.277 1068 HG21 VAL 142 3HG2 VAL 142 -4.657 2.539 5.405 1069 HG22 VAL 142 1HG2 VAL 142 -5.219 1.047 4.677 1070 HG23 VAL 142 2HG2 VAL 142 -6.171 1.818 5.971 Start of MODEL 16 1 HA SER 1 HA SER 1 16.937 -14.091 -4.084 2 HG SER 1 HG SER 1 13.290 -13.675 -4.161 3 H1 SER 1 H SER 1 14.708 -12.758 -2.723 4 HB2 SER 1 1HB SER 1 15.376 -14.350 -5.991 5 HB3 SER 1 2HB SER 1 14.920 -15.216 -4.541 6 HA PRO 2 HA PRO 2 18.087 -10.190 -5.742 7 HB2 PRO 2 1HB PRO 2 19.495 -10.826 -7.958 8 HB3 PRO 2 2HB PRO 2 20.013 -11.366 -6.343 9 HG2 PRO 2 1HG PRO 2 18.486 -12.954 -8.428 10 HG3 PRO 2 2HG PRO 2 19.911 -13.458 -7.470 11 HD2 PRO 2 1HD PRO 2 17.275 -14.021 -6.803 12 HD3 PRO 2 2HD PRO 2 18.582 -13.915 -5.593 13 H GLU 3 H GLU 3 17.189 -8.570 -7.118 14 HA GLU 3 HA GLU 3 15.424 -9.336 -9.331 15 HB2 GLU 3 1HB GLU 3 14.060 -9.531 -7.163 16 HB3 GLU 3 2HB GLU 3 14.280 -7.797 -6.986 17 HG2 GLU 3 1HG GLU 3 12.275 -7.758 -8.044 18 HG3 GLU 3 2HG GLU 3 13.297 -7.731 -9.479 19 H ILE 4 H ILE 4 16.106 -6.576 -7.095 20 HA ILE 4 HA ILE 4 17.235 -4.907 -9.182 21 HB ILE 4 HB ILE 4 15.716 -3.028 -8.623 22 HG12 ILE 4 1HG1 ILE 4 14.047 -5.244 -7.417 23 HG13 ILE 4 2HG1 ILE 4 14.414 -3.622 -6.815 24 HG21 ILE 4 1HG2 ILE 4 14.364 -3.400 -10.446 25 HG22 ILE 4 2HG2 ILE 4 15.851 -4.277 -10.755 26 HG23 ILE 4 3HG2 ILE 4 14.390 -5.172 -10.235 27 HD11 ILE 4 3HD1 ILE 4 12.987 -2.655 -8.581 28 HD12 ILE 4 1HD1 ILE 4 12.520 -4.310 -9.053 29 HD13 ILE 4 2HD1 ILE 4 12.119 -3.705 -7.437 30 H MET 5 H MET 5 18.932 -5.563 -7.725 31 HA MET 5 HA MET 5 20.351 -5.392 -5.863 32 HB2 MET 5 1HB MET 5 19.936 -2.602 -6.856 33 HB3 MET 5 2HB MET 5 21.060 -2.937 -5.552 34 HG2 MET 5 1HG MET 5 22.216 -4.602 -7.036 35 HG3 MET 5 2HG MET 5 21.318 -3.906 -8.389 36 HE1 MET 5 3HE MET 5 24.008 -3.684 -9.199 37 HE2 MET 5 1HE MET 5 25.165 -2.588 -8.427 38 HE3 MET 5 2HE MET 5 24.657 -4.076 -7.595 39 H LYS 6 H LYS 6 19.271 -6.106 -4.217 40 HA LYS 6 HA LYS 6 17.964 -6.304 -2.373 41 HB2 LYS 6 1HB LYS 6 19.970 -4.147 -1.678 42 HB3 LYS 6 2HB LYS 6 18.886 -4.830 -0.475 43 HG2 LYS 6 1HG LYS 6 21.054 -6.260 -1.998 44 HG3 LYS 6 2HG LYS 6 20.817 -6.025 -0.272 45 HD2 LYS 6 1HD LYS 6 19.373 -7.951 -2.052 46 HD3 LYS 6 2HD LYS 6 20.419 -8.328 -0.693 47 HE2 LYS 6 1HE LYS 6 18.822 -7.676 0.928 48 HE3 LYS 6 2HE LYS 6 17.916 -6.685 -0.217 49 HZ1 LYS 6 3HZ LYS 6 17.325 -8.806 -1.379 50 HZ2 LYS 6 1HZ LYS 6 17.917 -9.621 -0.078 51 HZ3 LYS 6 2HZ LYS 6 16.676 -8.598 0.121 52 H ASN 7 H ASN 7 15.939 -6.086 -2.338 53 HA ASN 7 HA ASN 7 14.656 -3.474 -2.566 54 HB2 ASN 7 1HB ASN 7 13.378 -4.427 -4.532 55 HB3 ASN 7 2HB ASN 7 15.072 -4.076 -4.844 56 HD21 ASN 7 2HD2 ASN 7 16.537 -5.746 -5.043 57 HD22 ASN 7 1HD2 ASN 7 16.112 -7.450 -4.888 58 H LEU 8 H LEU 8 12.470 -3.649 -1.942 59 HA LEU 8 HA LEU 8 12.072 -5.843 -0.105 60 HG LEU 8 HG LEU 8 9.907 -2.342 0.304 61 HB2 LEU 8 1HB LEU 8 10.732 -4.641 1.101 62 HB3 LEU 8 2HB LEU 8 11.778 -3.438 0.390 63 HD11 LEU 8 1HD1 LEU 8 8.706 -2.262 -1.701 64 HD12 LEU 8 2HD1 LEU 8 10.378 -2.636 -2.103 65 HD13 LEU 8 3HD1 LEU 8 9.161 -3.905 -2.157 66 HD21 LEU 8 3HD2 LEU 8 7.635 -3.184 0.371 67 HD22 LEU 8 1HD2 LEU 8 8.259 -4.854 0.199 68 HD23 LEU 8 2HD2 LEU 8 8.652 -3.879 1.625 69 H SER 9 H SER 9 11.328 -5.549 -3.245 70 HA SER 9 HA SER 9 8.889 -6.470 -3.906 71 HG SER 9 HG SER 9 9.131 -6.696 -6.289 72 HB2 SER 9 1HB SER 9 11.158 -6.109 -5.228 73 HB3 SER 9 2HB SER 9 11.403 -7.815 -4.946 74 H ASN 10 H ASN 10 11.536 -8.556 -2.888 75 HA ASN 10 HA ASN 10 10.457 -11.095 -2.740 76 HB2 ASN 10 1HB ASN 10 12.372 -9.855 -0.675 77 HB3 ASN 10 2HB ASN 10 12.187 -11.561 -1.059 78 HD21 ASN 10 2HD2 ASN 10 13.657 -8.449 -2.085 79 HD22 ASN 10 1HD2 ASN 10 14.407 -9.152 -3.478 80 H ASN 11 H ASN 11 10.487 -8.595 -0.277 81 HA ASN 11 HA ASN 11 9.518 -10.266 1.885 82 HB2 ASN 11 1HB ASN 11 10.096 -7.280 1.753 83 HB3 ASN 11 2HB ASN 11 9.917 -8.279 3.210 84 HD21 ASN 11 2HD2 ASN 11 12.374 -6.636 1.918 85 HD22 ASN 11 1HD2 ASN 11 13.618 -7.851 1.869 86 H PHE 12 H PHE 12 8.406 -7.594 -0.150 87 HA PHE 12 HA PHE 12 5.845 -7.208 0.772 88 HD1 PHE 12 HD1 PHE 12 3.951 -6.438 -0.019 89 HD2 PHE 12 HD2 PHE 12 7.007 -4.162 -1.992 90 HE1 PHE 12 HE1 PHE 12 2.848 -4.303 0.707 91 HE2 PHE 12 HE2 PHE 12 5.887 -2.050 -1.341 92 HZ PHE 12 HZ PHE 12 3.883 -2.125 0.113 93 HB2 PHE 12 1HB PHE 12 7.397 -6.350 -1.422 94 HB3 PHE 12 2HB PHE 12 6.041 -7.146 -2.203 95 H GLY 13 H GLY 13 7.033 -9.522 -1.731 96 HA2 GLY 13 1HA GLY 13 4.515 -10.780 -2.236 97 HA3 GLY 13 2HA GLY 13 6.109 -11.451 -2.575 98 H LYS 14 H LYS 14 7.053 -11.315 0.223 99 HA LYS 14 HA LYS 14 6.211 -13.855 1.208 100 HB2 LYS 14 1HB LYS 14 8.164 -11.917 1.855 101 HB3 LYS 14 2HB LYS 14 7.149 -11.866 3.256 102 HG2 LYS 14 1HG LYS 14 7.399 -14.365 3.452 103 HG3 LYS 14 2HG LYS 14 8.591 -14.260 2.126 104 HD2 LYS 14 1HD LYS 14 10.042 -12.839 3.471 105 HD3 LYS 14 2HD LYS 14 8.780 -12.590 4.696 106 HE2 LYS 14 1HE LYS 14 8.845 -15.003 5.262 107 HE3 LYS 14 2HE LYS 14 10.150 -15.241 4.090 108 HZ1 LYS 14 3HZ LYS 14 10.331 -13.484 6.488 109 HZ2 LYS 14 1HZ LYS 14 10.962 -14.988 6.338 110 HZ3 LYS 14 2HZ LYS 14 11.522 -13.748 5.414 111 H ALA 15 H ALA 15 5.478 -10.520 2.336 112 HA ALA 15 HA ALA 15 3.728 -11.490 4.306 113 HB1 ALA 15 1HB ALA 15 4.765 -9.226 4.388 114 HB2 ALA 15 2HB ALA 15 3.776 -8.712 3.012 115 HB3 ALA 15 3HB ALA 15 3.009 -9.110 4.568 116 H MET 16 H MET 16 3.140 -10.510 0.893 117 HA MET 16 HA MET 16 0.292 -10.728 0.992 118 HB2 MET 16 1HB MET 16 1.951 -10.006 -1.012 119 HB3 MET 16 2HB MET 16 1.720 -11.675 -1.484 120 HG2 MET 16 1HG MET 16 -0.463 -9.601 -1.005 121 HG3 MET 16 2HG MET 16 0.058 -10.231 -2.566 122 HE1 MET 16 3HE MET 16 -3.026 -10.042 -1.338 123 HE2 MET 16 1HE MET 16 -2.833 -10.659 -2.999 124 HE3 MET 16 2HE MET 16 -3.739 -11.613 -1.782 125 H ASP 17 H ASP 17 2.860 -13.189 0.352 126 HA ASP 17 HA ASP 17 1.121 -15.368 -0.093 127 HB2 ASP 17 1HB ASP 17 3.578 -15.140 -0.668 128 HB3 ASP 17 2HB ASP 17 3.954 -15.348 1.029 129 H GLN 18 H GLN 18 2.181 -13.895 2.879 130 HA GLN 18 HA GLN 18 1.098 -15.997 4.572 131 HB2 GLN 18 1HB GLN 18 2.265 -13.276 5.019 132 HB3 GLN 18 2HB GLN 18 1.320 -14.073 6.301 133 HG2 GLN 18 1HG GLN 18 2.707 -15.921 6.412 134 HG3 GLN 18 2HG GLN 18 3.354 -15.719 4.791 135 HE21 GLN 18 2HE2 GLN 18 5.460 -15.202 4.793 136 HE22 GLN 18 1HE2 GLN 18 6.161 -14.095 5.984 137 H CYS 19 H CYS 19 -0.205 -13.012 3.059 138 HA CYS 19 HA CYS 19 -2.714 -13.090 4.530 139 HB2 CYS 19 1HB CYS 19 -2.003 -11.686 1.921 140 HB3 CYS 19 2HB CYS 19 -3.432 -11.399 2.907 141 H LYS 20 H LYS 20 -1.636 -14.055 1.245 142 HA LYS 20 HA LYS 20 -4.052 -15.310 0.422 143 HB2 LYS 20 1HB LYS 20 -2.154 -14.579 -1.053 144 HB3 LYS 20 2HB LYS 20 -1.194 -15.895 -0.424 145 HG2 LYS 20 1HG LYS 20 -3.078 -17.456 -1.381 146 HG3 LYS 20 2HG LYS 20 -3.685 -15.973 -2.113 147 HD2 LYS 20 1HD LYS 20 -2.346 -17.123 -3.738 148 HD3 LYS 20 2HD LYS 20 -1.476 -15.672 -3.218 149 HE2 LYS 20 1HE LYS 20 -0.782 -17.790 -1.404 150 HE3 LYS 20 2HE LYS 20 -0.753 -18.513 -3.011 151 HZ1 LYS 20 3HZ LYS 20 0.887 -16.966 -3.695 152 HZ2 LYS 20 1HZ LYS 20 0.645 -15.995 -2.390 153 HZ3 LYS 20 2HZ LYS 20 1.364 -17.437 -2.182 154 H ASP 21 H ASP 21 -1.936 -16.205 2.975 155 HA ASP 21 HA ASP 21 -2.870 -19.015 2.848 156 HB2 ASP 21 1HB ASP 21 -0.477 -18.922 3.054 157 HB3 ASP 21 2HB ASP 21 -0.580 -17.718 4.354 158 H GLU 22 H GLU 22 -2.283 -16.524 5.336 159 HA GLU 22 HA GLU 22 -3.889 -17.672 7.344 160 HB2 GLU 22 1HB GLU 22 -3.071 -14.772 6.882 161 HB3 GLU 22 2HB GLU 22 -3.900 -15.368 8.328 162 HG2 GLU 22 1HG GLU 22 -2.106 -17.005 8.679 163 HG3 GLU 22 2HG GLU 22 -1.190 -16.342 7.349 164 H LEU 23 H LEU 23 -4.663 -15.590 4.677 165 HA LEU 23 HA LEU 23 -7.545 -15.527 5.553 166 HG LEU 23 HG LEU 23 -5.187 -13.062 5.410 167 HB2 LEU 23 1HB LEU 23 -6.351 -13.844 3.372 168 HB3 LEU 23 2HB LEU 23 -7.887 -13.713 4.172 169 HD11 LEU 23 1HD1 LEU 23 -5.844 -11.448 3.739 170 HD12 LEU 23 2HD1 LEU 23 -7.502 -11.414 4.370 171 HD13 LEU 23 3HD1 LEU 23 -6.184 -10.732 5.328 172 HD21 LEU 23 3HD2 LEU 23 -6.725 -13.880 7.148 173 HD22 LEU 23 1HD2 LEU 23 -6.480 -12.152 7.304 174 HD23 LEU 23 2HD2 LEU 23 -7.993 -12.768 6.582 175 H SER 24 H SER 24 -5.398 -17.069 3.369 176 HA SER 24 HA SER 24 -5.671 -18.313 1.498 177 HG SER 24 HG SER 24 -6.235 -20.486 1.416 178 HB2 SER 24 1HB SER 24 -7.032 -19.395 3.374 179 HB3 SER 24 2HB SER 24 -8.444 -18.918 2.431 180 H LEU 25 H LEU 25 -5.811 -15.712 0.852 181 HA LEU 25 HA LEU 25 -8.253 -14.912 -0.446 182 HG LEU 25 HG LEU 25 -5.875 -12.953 1.306 183 HB2 LEU 25 1HB LEU 25 -5.384 -13.853 -0.756 184 HB3 LEU 25 2HB LEU 25 -6.771 -13.123 -1.489 185 HD11 LEU 25 1HD1 LEU 25 -6.747 -10.756 1.062 186 HD12 LEU 25 2HD1 LEU 25 -5.901 -11.187 -0.464 187 HD13 LEU 25 3HD1 LEU 25 -7.667 -11.187 -0.390 188 HD21 LEU 25 3HD2 LEU 25 -8.872 -12.986 0.608 189 HD22 LEU 25 1HD2 LEU 25 -8.091 -14.077 1.755 190 HD23 LEU 25 2HD2 LEU 25 -8.197 -12.350 2.126 191 HA PRO 26 HA PRO 26 -7.678 -17.531 -3.971 192 HB2 PRO 26 1HB PRO 26 -9.531 -16.498 -5.727 193 HB3 PRO 26 2HB PRO 26 -9.975 -17.405 -4.265 194 HG2 PRO 26 1HG PRO 26 -9.865 -14.430 -4.640 195 HG3 PRO 26 2HG PRO 26 -11.183 -15.385 -3.893 196 HD2 PRO 26 1HD PRO 26 -9.284 -14.109 -2.397 197 HD3 PRO 26 2HD PRO 26 -9.935 -15.695 -1.912 198 H ASP 27 H ASP 27 -6.834 -17.554 -6.084 199 HA ASP 27 HA ASP 27 -4.911 -15.820 -6.838 200 HB2 ASP 27 1HB ASP 27 -5.326 -18.117 -7.742 201 HB3 ASP 27 2HB ASP 27 -6.622 -17.461 -8.745 202 H SER 28 H SER 28 -8.261 -15.429 -7.458 203 HA SER 28 HA SER 28 -8.201 -13.548 -9.640 204 HG SER 28 HG SER 28 -11.632 -13.292 -9.305 205 HB2 SER 28 1HB SER 28 -10.088 -15.176 -8.785 206 HB3 SER 28 2HB SER 28 -10.451 -13.853 -7.663 207 H VAL 29 H VAL 29 -8.522 -13.463 -6.021 208 HA VAL 29 HA VAL 29 -8.652 -10.567 -5.994 209 HB VAL 29 HB VAL 29 -8.377 -12.660 -3.816 210 HG11 VAL 29 1HG1 VAL 29 -7.294 -10.643 -2.947 211 HG12 VAL 29 2HG1 VAL 29 -8.631 -9.634 -3.531 212 HG13 VAL 29 3HG1 VAL 29 -8.896 -10.804 -2.232 213 HG21 VAL 29 3HG2 VAL 29 -10.641 -10.740 -4.505 214 HG22 VAL 29 1HG2 VAL 29 -10.596 -12.393 -5.091 215 HG23 VAL 29 2HG2 VAL 29 -10.690 -12.095 -3.356 216 H VAL 30 H VAL 30 -6.087 -13.040 -5.511 217 HA VAL 30 HA VAL 30 -4.054 -11.193 -4.723 218 HB VAL 30 HB VAL 30 -3.875 -13.871 -6.144 219 HG11 VAL 30 1HG1 VAL 30 -1.709 -12.370 -4.616 220 HG12 VAL 30 2HG1 VAL 30 -1.584 -14.036 -5.217 221 HG13 VAL 30 3HG1 VAL 30 -1.731 -12.701 -6.368 222 HG21 VAL 30 3HG2 VAL 30 -4.963 -13.786 -3.741 223 HG22 VAL 30 1HG2 VAL 30 -3.717 -14.963 -4.115 224 HG23 VAL 30 2HG2 VAL 30 -3.299 -13.526 -3.182 225 H ALA 31 H ALA 31 -5.032 -12.456 -7.994 226 HA ALA 31 HA ALA 31 -3.196 -10.941 -9.505 227 HB1 ALA 31 1HB ALA 31 -4.817 -11.278 -11.367 228 HB2 ALA 31 2HB ALA 31 -4.495 -12.788 -10.500 229 HB3 ALA 31 3HB ALA 31 -6.009 -11.902 -10.217 230 H ASP 32 H ASP 32 -6.608 -10.242 -8.654 231 HA ASP 32 HA ASP 32 -6.865 -7.648 -9.722 232 HB2 ASP 32 1HB ASP 32 -7.924 -8.850 -7.172 233 HB3 ASP 32 2HB ASP 32 -8.286 -7.194 -7.602 234 H LEU 33 H LEU 33 -5.417 -8.610 -6.574 235 HA LEU 33 HA LEU 33 -4.975 -6.002 -5.632 236 HG LEU 33 HG LEU 33 -4.799 -6.026 -3.623 237 HB2 LEU 33 1HB LEU 33 -4.272 -8.694 -4.755 238 HB3 LEU 33 2HB LEU 33 -2.820 -7.741 -4.717 239 HD11 LEU 33 1HD1 LEU 33 -5.796 -7.249 -1.875 240 HD12 LEU 33 2HD1 LEU 33 -6.299 -7.871 -3.469 241 HD13 LEU 33 3HD1 LEU 33 -5.125 -8.791 -2.497 242 HD21 LEU 33 3HD2 LEU 33 -3.569 -6.273 -1.548 243 HD22 LEU 33 1HD2 LEU 33 -2.715 -7.703 -2.205 244 HD23 LEU 33 2HD2 LEU 33 -2.484 -6.089 -2.931 245 H TYR 34 H TYR 34 -2.739 -8.180 -7.397 246 HA TYR 34 HA TYR 34 -0.601 -6.238 -7.499 247 HD1 TYR 34 HD1 TYR 34 2.062 -7.312 -8.281 248 HD2 TYR 34 HD2 TYR 34 -0.882 -10.138 -6.918 249 HE1 TYR 34 HE1 TYR 34 3.710 -8.267 -6.730 250 HE2 TYR 34 HE2 TYR 34 0.742 -11.060 -5.298 251 HH TYR 34 HH TYR 34 4.125 -9.812 -5.045 252 HB2 TYR 34 1HB TYR 34 -1.253 -8.770 -9.004 253 HB3 TYR 34 2HB TYR 34 0.026 -7.707 -9.568 254 H ASN 35 H ASN 35 -3.436 -6.902 -9.579 255 HA ASN 35 HA ASN 35 -2.722 -5.166 -11.707 256 HB2 ASN 35 1HB ASN 35 -5.462 -6.095 -10.807 257 HB3 ASN 35 2HB ASN 35 -5.144 -5.211 -12.295 258 HD21 ASN 35 2HD2 ASN 35 -6.184 -8.053 -11.911 259 HD22 ASN 35 1HD2 ASN 35 -5.051 -9.030 -12.802 260 H PHE 36 H PHE 36 -4.129 -4.484 -8.555 261 HA PHE 36 HA PHE 36 -5.279 -1.967 -9.071 262 HD1 PHE 36 HD2 PHE 36 -7.265 -1.447 -7.506 263 HD2 PHE 36 HD1 PHE 36 -3.695 -1.057 -5.123 264 HE1 PHE 36 HE2 PHE 36 -8.204 0.537 -6.380 265 HE2 PHE 36 HE1 PHE 36 -4.669 0.866 -3.957 266 HZ PHE 36 HZ PHE 36 -6.942 1.649 -4.537 267 HB2 PHE 36 1HB PHE 36 -5.397 -3.481 -6.928 268 HB3 PHE 36 2HB PHE 36 -3.823 -2.813 -6.561 269 H TRP 37 H TRP 37 -1.875 -2.726 -8.623 270 HA TRP 37 HA TRP 37 -1.190 0.155 -8.653 271 HD1 TRP 37 HD1 TRP 37 -0.325 -3.946 -7.140 272 HE1 TRP 37 HE1 TRP 37 -1.648 -4.275 -4.985 273 HE3 TRP 37 HE3 TRP 37 -0.762 0.917 -5.626 274 HZ2 TRP 37 HZ2 TRP 37 -2.367 -2.741 -2.640 275 HZ3 TRP 37 HZ3 TRP 37 -1.905 1.429 -3.446 276 HH2 TRP 37 HH2 TRP 37 -2.661 -0.350 -1.965 277 HB2 TRP 37 1HB TRP 37 0.808 -2.009 -8.328 278 HB3 TRP 37 2HB TRP 37 0.792 -0.401 -7.627 279 H LYS 38 H LYS 38 -2.012 -1.905 -10.965 280 HA LYS 38 HA LYS 38 0.461 -1.889 -12.575 281 HB2 LYS 38 1HB LYS 38 -0.886 -3.968 -11.919 282 HB3 LYS 38 2HB LYS 38 -2.093 -3.443 -13.100 283 HG2 LYS 38 1HG LYS 38 -0.406 -3.661 -14.900 284 HG3 LYS 38 2HG LYS 38 0.840 -4.052 -13.716 285 HD2 LYS 38 1HD LYS 38 -1.674 -5.719 -14.098 286 HD3 LYS 38 2HD LYS 38 -0.182 -6.010 -14.989 287 HE2 LYS 38 1HE LYS 38 1.055 -6.518 -12.969 288 HE3 LYS 38 2HE LYS 38 -0.302 -6.042 -11.952 289 HZ1 LYS 38 3HZ LYS 38 -0.346 -8.370 -13.803 290 HZ2 LYS 38 1HZ LYS 38 -0.202 -8.458 -12.184 291 HZ3 LYS 38 2HZ LYS 38 -1.584 -7.878 -12.861 292 H ASP 39 H ASP 39 -1.679 -2.282 -14.889 293 HA ASP 39 HA ASP 39 -1.156 0.208 -16.062 294 HB2 ASP 39 1HB ASP 39 -1.736 -2.010 -17.153 295 HB3 ASP 39 2HB ASP 39 -3.423 -1.694 -16.804 296 H ASP 40 H ASP 40 -4.405 -1.005 -14.947 297 HA ASP 40 HA ASP 40 -5.195 1.498 -13.843 298 HB2 ASP 40 1HB ASP 40 -5.361 2.168 -16.222 299 HB3 ASP 40 2HB ASP 40 -6.380 0.759 -16.551 300 H TYR 41 H TYR 41 -6.284 0.528 -12.089 301 HA TYR 41 HA TYR 41 -8.588 -1.170 -12.721 302 HD1 TYR 41 HD2 TYR 41 -8.895 -4.190 -12.621 303 HD2 TYR 41 HD1 TYR 41 -7.027 -2.826 -9.022 304 HE1 TYR 41 HE2 TYR 41 -10.353 -5.686 -11.284 305 HE2 TYR 41 HE1 TYR 41 -8.404 -4.291 -7.673 306 HH TYR 41 HH TYR 41 -11.039 -6.279 -9.127 307 HB2 TYR 41 1HB TYR 41 -6.811 -2.827 -12.614 308 HB3 TYR 41 2HB TYR 41 -6.193 -2.124 -11.123 309 H VAL 42 H VAL 42 -10.019 -1.459 -10.767 310 HA VAL 42 HA VAL 42 -9.453 0.201 -8.419 311 HB VAL 42 HB VAL 42 -11.764 0.759 -8.283 312 HG11 VAL 42 1HG1 VAL 42 -10.305 2.423 -9.287 313 HG12 VAL 42 2HG1 VAL 42 -10.559 1.714 -10.895 314 HG13 VAL 42 3HG1 VAL 42 -11.899 2.483 -10.038 315 HG21 VAL 42 3HG2 VAL 42 -13.326 0.640 -10.218 316 HG22 VAL 42 1HG2 VAL 42 -12.183 -0.473 -11.004 317 HG23 VAL 42 2HG2 VAL 42 -12.965 -0.907 -9.464 318 H MET 43 H MET 43 -9.977 -0.933 -6.548 319 HA MET 43 HA MET 43 -10.414 -3.821 -6.801 320 HB2 MET 43 1HB MET 43 -9.997 -1.889 -4.525 321 HB3 MET 43 2HB MET 43 -10.525 -3.541 -4.206 322 HG2 MET 43 1HG MET 43 -8.573 -4.460 -5.316 323 HG3 MET 43 2HG MET 43 -8.061 -2.863 -5.838 324 HE1 MET 43 3HE MET 43 -6.782 -1.094 -2.781 325 HE2 MET 43 1HE MET 43 -8.065 -0.967 -4.000 326 HE3 MET 43 2HE MET 43 -8.468 -1.433 -2.343 327 H THR 44 H THR 44 -12.201 -4.890 -6.444 328 HA THR 44 HA THR 44 -14.675 -3.460 -5.657 329 HB THR 44 HB THR 44 -15.840 -4.854 -7.420 330 HG1 THR 44 1HG THR 44 -14.649 -5.612 -9.088 331 HG21 THR 44 3HG2 THR 44 -15.309 -2.400 -7.580 332 HG22 THR 44 1HG2 THR 44 -13.835 -2.803 -8.465 333 HG23 THR 44 2HG2 THR 44 -15.424 -3.203 -9.147 334 H ASP 45 H ASP 45 -12.822 -6.533 -5.739 335 HA ASP 45 HA ASP 45 -14.726 -7.933 -4.037 336 HB2 ASP 45 1HB ASP 45 -12.702 -8.962 -5.383 337 HB3 ASP 45 2HB ASP 45 -11.784 -8.576 -3.949 338 H ARG 46 H ARG 46 -14.899 -7.780 -2.023 339 HA ARG 46 HA ARG 46 -13.739 -5.758 -0.290 340 HE ARG 46 HE ARG 46 -17.910 -7.708 1.733 341 HB2 ARG 46 1HB ARG 46 -15.034 -6.876 1.470 342 HB3 ARG 46 2HB ARG 46 -15.997 -6.611 0.023 343 HG2 ARG 46 1HG ARG 46 -15.065 -9.180 -0.455 344 HG3 ARG 46 2HG ARG 46 -15.153 -9.192 1.293 345 HD2 ARG 46 1HD ARG 46 -17.440 -8.338 -0.550 346 HD3 ARG 46 2HD ARG 46 -17.181 -10.002 -0.051 347 HH11 ARG 46 2HH2 ARG 46 -17.680 -11.238 1.314 348 HH12 ARG 46 1HH2 ARG 46 -18.284 -11.594 2.889 349 HH21 ARG 46 2HH1 ARG 46 -18.792 -8.121 3.640 350 HH22 ARG 46 1HH1 ARG 46 -19.028 -9.749 4.273 351 H LEU 47 H LEU 47 -12.973 -9.180 -1.028 352 HA LEU 47 HA LEU 47 -11.194 -9.608 1.190 353 HG LEU 47 HG LEU 47 -13.182 -11.508 -0.064 354 HB2 LEU 47 1HB LEU 47 -11.327 -10.774 -1.620 355 HB3 LEU 47 2HB LEU 47 -10.163 -11.310 -0.408 356 HD11 LEU 47 1HD1 LEU 47 -12.302 -12.978 -1.845 357 HD12 LEU 47 2HD1 LEU 47 -11.038 -13.577 -0.725 358 HD13 LEU 47 3HD1 LEU 47 -12.763 -13.929 -0.422 359 HD21 LEU 47 3HD2 LEU 47 -12.558 -13.021 1.828 360 HD22 LEU 47 1HD2 LEU 47 -10.855 -12.606 1.595 361 HD23 LEU 47 2HD2 LEU 47 -12.002 -11.363 2.115 362 H ALA 48 H ALA 48 -10.667 -7.838 -1.917 363 HA ALA 48 HA ALA 48 -7.831 -7.848 -1.611 364 HB1 ALA 48 1HB ALA 48 -8.988 -7.079 -3.650 365 HB2 ALA 48 2HB ALA 48 -9.541 -5.617 -2.785 366 HB3 ALA 48 3HB ALA 48 -7.807 -5.918 -3.048 367 H GLY 49 H GLY 49 -10.342 -5.788 -0.124 368 HA2 GLY 49 1HA GLY 49 -8.571 -3.950 1.200 369 HA3 GLY 49 2HA GLY 49 -10.250 -4.307 1.654 370 H CYS 50 H CYS 50 -9.820 -7.191 2.011 371 HA CYS 50 HA CYS 50 -8.670 -7.239 4.650 372 HB2 CYS 50 1HB CYS 50 -9.530 -9.490 2.737 373 HB3 CYS 50 2HB CYS 50 -8.764 -9.784 4.256 374 H ALA 51 H ALA 51 -7.355 -8.313 1.455 375 HA ALA 51 HA ALA 51 -4.903 -9.244 2.538 376 HB1 ALA 51 1HB ALA 51 -5.948 -8.850 -0.099 377 HB2 ALA 51 2HB ALA 51 -4.358 -8.064 -0.014 378 HB3 ALA 51 3HB ALA 51 -4.536 -9.773 0.415 379 H ILE 52 H ILE 52 -5.883 -5.927 1.507 380 HA ILE 52 HA ILE 52 -3.364 -4.727 2.012 381 HB ILE 52 HB ILE 52 -6.167 -3.546 2.028 382 HG12 ILE 52 1HG1 ILE 52 -3.857 -3.506 -0.014 383 HG13 ILE 52 2HG1 ILE 52 -5.302 -4.473 -0.154 384 HG21 ILE 52 1HG2 ILE 52 -4.648 -2.111 3.400 385 HG22 ILE 52 2HG2 ILE 52 -3.430 -2.145 2.106 386 HG23 ILE 52 3HG2 ILE 52 -4.986 -1.317 1.882 387 HD11 ILE 52 3HD1 ILE 52 -6.692 -2.412 -0.330 388 HD12 ILE 52 1HD1 ILE 52 -5.203 -1.430 -0.303 389 HD13 ILE 52 2HD1 ILE 52 -5.471 -2.568 -1.608 390 H ASN 53 H ASN 53 -6.252 -4.900 4.293 391 HA ASN 53 HA ASN 53 -4.701 -3.732 6.364 392 HB2 ASN 53 1HB ASN 53 -6.370 -4.218 7.896 393 HB3 ASN 53 2HB ASN 53 -7.181 -3.904 6.374 394 HD21 ASN 53 2HD2 ASN 53 -9.019 -5.001 6.604 395 HD22 ASN 53 1HD2 ASN 53 -9.197 -6.703 6.936 396 H CYS 54 H CYS 54 -4.788 -7.091 5.286 397 HA CYS 54 HA CYS 54 -3.407 -8.195 7.531 398 HB2 CYS 54 1HB CYS 54 -4.501 -9.684 6.112 399 HB3 CYS 54 2HB CYS 54 -3.791 -9.014 4.646 400 H LEU 55 H LEU 55 -2.232 -6.849 4.393 401 HA LEU 55 HA LEU 55 0.552 -7.158 4.935 402 HG LEU 55 HG LEU 55 -0.937 -7.641 2.528 403 HB2 LEU 55 1HB LEU 55 -0.983 -5.133 3.259 404 HB3 LEU 55 2HB LEU 55 0.764 -5.234 3.279 405 HD11 LEU 55 1HD1 LEU 55 -0.561 -7.003 0.162 406 HD12 LEU 55 2HD1 LEU 55 -1.575 -5.845 1.030 407 HD13 LEU 55 3HD1 LEU 55 0.128 -5.451 0.707 408 HD21 LEU 55 3HD2 LEU 55 1.116 -8.318 1.324 409 HD22 LEU 55 1HD2 LEU 55 1.957 -6.890 1.970 410 HD23 LEU 55 2HD2 LEU 55 1.363 -8.161 3.067 411 H ALA 56 H ALA 56 -1.781 -4.644 5.862 412 HA ALA 56 HA ALA 56 0.156 -2.786 6.865 413 HB1 ALA 56 1HB ALA 56 -2.782 -2.888 7.608 414 HB2 ALA 56 2HB ALA 56 -1.679 -1.499 7.598 415 HB3 ALA 56 3HB ALA 56 -2.191 -2.229 6.066 416 H THR 57 H THR 57 -1.260 -5.661 8.380 417 HA THR 57 HA THR 57 -0.242 -4.724 11.002 418 HB THR 57 HB THR 57 -2.493 -5.807 10.779 419 HG1 THR 57 1HG THR 57 -1.771 -5.697 12.765 420 HG21 THR 57 3HG2 THR 57 -2.440 -8.307 10.959 421 HG22 THR 57 1HG2 THR 57 -2.105 -7.652 9.347 422 HG23 THR 57 2HG2 THR 57 -0.776 -8.261 10.369 423 H LYS 58 H LYS 58 0.996 -6.088 8.111 424 HA LYS 58 HA LYS 58 2.926 -7.764 9.565 425 HB2 LYS 58 1HB LYS 58 1.464 -8.053 6.943 426 HB3 LYS 58 2HB LYS 58 3.073 -8.744 7.090 427 HG2 LYS 58 1HG LYS 58 2.536 -9.962 9.046 428 HG3 LYS 58 2HG LYS 58 0.897 -9.269 9.117 429 HD2 LYS 58 1HD LYS 58 0.253 -10.338 7.042 430 HD3 LYS 58 2HD LYS 58 1.889 -10.951 6.784 431 HE2 LYS 58 1HE LYS 58 0.327 -12.697 7.599 432 HE3 LYS 58 2HE LYS 58 1.729 -12.461 8.646 433 HZ1 LYS 58 3HZ LYS 58 -0.488 -12.722 9.740 434 HZ2 LYS 58 1HZ LYS 58 0.402 -11.430 10.252 435 HZ3 LYS 58 2HZ LYS 58 -0.891 -11.222 9.259 436 H LEU 59 H LEU 59 3.216 -4.917 9.491 437 HA LEU 59 HA LEU 59 4.860 -4.167 7.324 438 HG LEU 59 HG LEU 59 2.803 -2.961 9.602 439 HB2 LEU 59 1HB LEU 59 5.235 -2.970 10.038 440 HB3 LEU 59 2HB LEU 59 5.559 -2.252 8.446 441 HD11 LEU 59 1HD1 LEU 59 3.822 -1.073 10.759 442 HD12 LEU 59 2HD1 LEU 59 4.064 -0.235 9.196 443 HD13 LEU 59 3HD1 LEU 59 2.427 -0.570 9.798 444 HD21 LEU 59 3HD2 LEU 59 2.793 -3.060 7.107 445 HD22 LEU 59 1HD2 LEU 59 1.836 -1.717 7.754 446 HD23 LEU 59 2HD2 LEU 59 3.412 -1.389 7.054 447 H ASP 60 H ASP 60 5.531 -6.110 10.247 448 HA ASP 60 HA ASP 60 8.420 -5.879 10.005 449 HB2 ASP 60 1HB ASP 60 6.550 -7.599 11.600 450 HB3 ASP 60 2HB ASP 60 8.253 -7.991 11.537 451 H VAL 61 H VAL 61 6.073 -7.692 8.286 452 HA VAL 61 HA VAL 61 8.040 -9.775 7.469 453 HB VAL 61 HB VAL 61 5.072 -9.540 6.837 454 HG11 VAL 61 1HG1 VAL 61 5.211 -11.837 6.126 455 HG12 VAL 61 2HG1 VAL 61 6.419 -10.922 5.245 456 HG13 VAL 61 3HG1 VAL 61 6.926 -11.944 6.607 457 HG21 VAL 61 3HG2 VAL 61 5.275 -9.866 9.258 458 HG22 VAL 61 1HG2 VAL 61 4.694 -11.339 8.498 459 HG23 VAL 61 2HG2 VAL 61 6.390 -11.217 9.009 460 H VAL 62 H VAL 62 5.755 -7.259 6.206 461 HA VAL 62 HA VAL 62 6.491 -7.602 3.496 462 HB VAL 62 HB VAL 62 4.453 -6.470 4.718 463 HG11 VAL 62 1HG1 VAL 62 5.946 -4.634 5.688 464 HG12 VAL 62 2HG1 VAL 62 5.986 -3.955 4.059 465 HG13 VAL 62 3HG1 VAL 62 4.427 -4.147 4.913 466 HG21 VAL 62 3HG2 VAL 62 5.636 -5.326 2.176 467 HG22 VAL 62 1HG2 VAL 62 4.531 -6.731 2.318 468 HG23 VAL 62 2HG2 VAL 62 3.955 -5.110 2.719 469 H ASP 63 H ASP 63 7.864 -5.637 6.122 470 HA ASP 63 HA ASP 63 10.236 -5.103 4.444 471 HB2 ASP 63 1HB ASP 63 9.032 -3.101 4.156 472 HB3 ASP 63 2HB ASP 63 8.586 -3.013 5.857 473 HA PRO 64 HA PRO 64 11.174 -6.773 8.643 474 HB2 PRO 64 1HB PRO 64 13.188 -8.464 7.950 475 HB3 PRO 64 2HB PRO 64 11.460 -8.881 7.699 476 HG2 PRO 64 1HG PRO 64 13.389 -7.759 5.653 477 HG3 PRO 64 2HG PRO 64 12.296 -9.175 5.481 478 HD2 PRO 64 1HD PRO 64 11.633 -6.689 4.581 479 HD3 PRO 64 2HD PRO 64 10.421 -7.792 5.268 480 H ASP 65 H ASP 65 12.843 -4.899 6.269 481 HA ASP 65 HA ASP 65 15.366 -4.633 7.652 482 HB2 ASP 65 1HB ASP 65 14.111 -2.902 5.524 483 HB3 ASP 65 2HB ASP 65 15.712 -2.689 6.222 484 H GLY 66 H GLY 66 12.167 -3.312 8.201 485 HA2 GLY 66 1HA GLY 66 11.616 -2.665 10.354 486 HA3 GLY 66 2HA GLY 66 13.304 -2.332 10.714 487 H ASN 67 H ASN 67 11.639 -1.090 7.756 488 HA ASN 67 HA ASN 67 12.309 1.572 8.799 489 HB2 ASN 67 1HB ASN 67 11.910 0.732 5.936 490 HB3 ASN 67 2HB ASN 67 12.300 2.346 6.537 491 HD21 ASN 67 2HD2 ASN 67 13.599 -0.686 5.662 492 HD22 ASN 67 1HD2 ASN 67 15.262 -0.401 6.162 493 H LEU 68 H LEU 68 9.726 -0.274 7.086 494 HA LEU 68 HA LEU 68 7.716 1.813 7.267 495 HG LEU 68 HG LEU 68 5.250 -0.368 7.217 496 HB2 LEU 68 1HB LEU 68 7.764 -0.136 5.609 497 HB3 LEU 68 2HB LEU 68 7.413 -1.212 6.926 498 HD11 LEU 68 1HD1 LEU 68 5.445 2.053 7.000 499 HD12 LEU 68 2HD1 LEU 68 5.726 1.883 5.242 500 HD13 LEU 68 3HD1 LEU 68 4.176 1.407 5.973 501 HD21 LEU 68 3HD2 LEU 68 5.545 -1.845 5.261 502 HD22 LEU 68 1HD2 LEU 68 4.251 -0.675 4.933 503 HD23 LEU 68 2HD2 LEU 68 5.850 -0.437 4.215 504 H HIS 69 H HIS 69 6.493 2.390 9.009 505 HA HIS 69 HA HIS 69 5.739 0.309 10.908 506 HD1 HIS 69 HD1 HIS 69 7.878 -0.846 12.020 507 HD2 HIS 69 HD2 HIS 69 9.367 3.101 11.768 508 HE1 HIS 69 HE1 HIS 69 10.405 -1.021 11.962 509 HE2 HIS 69 HE2 HIS 69 11.315 1.365 11.728 510 HB2 HIS 69 1HB HIS 69 6.796 2.946 11.965 511 HB3 HIS 69 2HB HIS 69 6.210 1.596 12.898 512 H HIS 70 H HIS 70 3.924 1.179 12.318 513 HA HIS 70 HA HIS 70 1.865 2.293 10.726 514 HD1 HIS 70 HD1 HIS 70 2.424 -0.377 14.380 515 HD2 HIS 70 HD2 HIS 70 3.119 3.817 14.561 516 HE1 HIS 70 HE1 HIS 70 4.036 0.039 16.301 517 HE2 HIS 70 HE2 HIS 70 4.514 2.582 16.361 518 HB2 HIS 70 1HB HIS 70 0.790 2.625 13.054 519 HB3 HIS 70 2HB HIS 70 1.210 0.986 12.561 520 H GLY 71 H GLY 71 0.979 4.282 10.597 521 HA2 GLY 71 1HA GLY 71 0.995 6.529 10.228 522 HA3 GLY 71 2HA GLY 71 1.733 6.698 11.833 523 H ASN 72 H ASN 72 3.710 4.760 9.716 524 HA ASN 72 HA ASN 72 5.495 7.061 9.267 525 HB2 ASN 72 1HB ASN 72 5.664 5.660 11.577 526 HB3 ASN 72 2HB ASN 72 6.589 4.581 10.568 527 HD21 ASN 72 2HD2 ASN 72 8.591 5.400 9.548 528 HD22 ASN 72 1HD2 ASN 72 9.351 6.835 10.192 529 H ALA 73 H ALA 73 4.704 6.504 7.005 530 HA ALA 73 HA ALA 73 6.240 4.320 5.776 531 HB1 ALA 73 1HB ALA 73 4.042 5.101 4.858 532 HB2 ALA 73 2HB ALA 73 4.820 6.664 4.522 533 HB3 ALA 73 3HB ALA 73 5.385 5.211 3.686 534 H LYS 74 H LYS 74 7.422 7.083 7.297 535 HA LYS 74 HA LYS 74 8.591 8.580 5.129 536 HB2 LYS 74 1HB LYS 74 8.104 8.714 8.079 537 HB3 LYS 74 2HB LYS 74 9.657 9.355 7.572 538 HG2 LYS 74 1HG LYS 74 8.658 10.915 6.055 539 HG3 LYS 74 2HG LYS 74 7.077 10.117 6.167 540 HD2 LYS 74 1HD LYS 74 6.745 10.894 8.394 541 HD3 LYS 74 2HD LYS 74 8.410 11.520 8.503 542 HE2 LYS 74 1HE LYS 74 7.987 13.125 6.707 543 HE3 LYS 74 2HE LYS 74 6.353 12.460 6.465 544 HZ1 LYS 74 3HZ LYS 74 7.287 13.832 8.917 545 HZ2 LYS 74 1HZ LYS 74 6.276 14.488 7.808 546 HZ3 LYS 74 2HZ LYS 74 5.792 13.191 8.681 547 H ASP 75 H ASP 75 10.009 6.564 7.764 548 HA ASP 75 HA ASP 75 12.683 6.762 6.804 549 HB2 ASP 75 1HB ASP 75 11.415 5.570 8.985 550 HB3 ASP 75 2HB ASP 75 11.893 4.165 8.054 551 H PHE 76 H PHE 76 9.980 4.604 6.118 552 HA PHE 76 HA PHE 76 11.376 2.715 4.436 553 HD1 PHE 76 HD1 PHE 76 10.129 0.214 4.201 554 HD2 PHE 76 HD2 PHE 76 7.543 3.111 2.280 555 HE1 PHE 76 HE1 PHE 76 9.454 -1.467 2.523 556 HE2 PHE 76 HE2 PHE 76 6.900 1.425 0.625 557 HZ PHE 76 HZ PHE 76 7.823 -0.876 0.731 558 HB2 PHE 76 1HB PHE 76 9.181 2.254 5.423 559 HB3 PHE 76 2HB PHE 76 8.442 3.543 4.496 560 H ALA 77 H ALA 77 9.401 5.596 3.665 561 HA ALA 77 HA ALA 77 9.752 5.538 0.929 562 HB1 ALA 77 1HB ALA 77 8.024 6.892 2.102 563 HB2 ALA 77 2HB ALA 77 9.287 7.925 2.799 564 HB3 ALA 77 3HB ALA 77 8.975 7.938 1.064 565 H MET 78 H MET 78 11.740 7.105 3.414 566 HA MET 78 HA MET 78 13.509 8.529 1.682 567 HB2 MET 78 1HB MET 78 14.139 7.214 4.369 568 HB3 MET 78 2HB MET 78 15.123 8.401 3.512 569 HG2 MET 78 1HG MET 78 12.661 9.677 3.669 570 HG3 MET 78 2HG MET 78 12.697 8.803 5.153 571 HE1 MET 78 3HE MET 78 12.660 12.003 4.657 572 HE2 MET 78 1HE MET 78 12.413 11.268 6.261 573 HE3 MET 78 2HE MET 78 13.640 12.547 6.016 574 H LYS 79 H LYS 79 13.712 5.226 3.064 575 HA LYS 79 HA LYS 79 16.160 4.581 1.618 576 HB2 LYS 79 1HB LYS 79 14.189 2.828 3.120 577 HB3 LYS 79 2HB LYS 79 15.809 2.326 2.590 578 HG2 LYS 79 1HG LYS 79 15.154 4.413 4.718 579 HG3 LYS 79 2HG LYS 79 15.760 2.800 4.961 580 HD2 LYS 79 1HD LYS 79 17.575 4.168 5.295 581 HD3 LYS 79 2HD LYS 79 17.861 3.543 3.665 582 HE2 LYS 79 1HE LYS 79 17.511 5.598 2.654 583 HE3 LYS 79 2HE LYS 79 16.391 6.144 3.913 584 HZ1 LYS 79 3HZ LYS 79 19.257 5.813 4.462 585 HZ2 LYS 79 1HZ LYS 79 18.585 7.246 3.933 586 HZ3 LYS 79 2HZ LYS 79 18.113 6.615 5.344 587 H HIS 80 H HIS 80 13.215 5.022 0.309 588 HA HIS 80 HA HIS 80 13.773 3.066 -1.869 589 HD1 HIS 80 HD1 HIS 80 11.279 0.784 -2.639 590 HD2 HIS 80 HD2 HIS 80 12.216 1.944 1.311 591 HE1 HIS 80 HE1 HIS 80 11.656 -1.368 -1.199 592 HE2 HIS 80 HE2 HIS 80 12.061 -0.596 1.218 593 HB2 HIS 80 1HB HIS 80 11.142 3.920 -0.627 594 HB3 HIS 80 2HB HIS 80 11.233 3.331 -2.278 595 H GLY 81 H GLY 81 13.919 6.376 -1.046 596 HA2 GLY 81 1HA GLY 81 15.055 7.456 -3.007 597 HA3 GLY 81 2HA GLY 81 13.610 7.132 -3.918 598 H ALA 82 H ALA 82 12.458 7.921 -0.901 599 HA ALA 82 HA ALA 82 11.505 10.448 -1.977 600 HB1 ALA 82 1HB ALA 82 10.937 9.174 0.724 601 HB2 ALA 82 2HB ALA 82 9.956 10.370 -0.091 602 HB3 ALA 82 3HB ALA 82 10.067 8.750 -0.784 603 H ASP 83 H ASP 83 11.130 12.147 -0.192 604 HA ASP 83 HA ASP 83 13.357 12.630 1.681 605 HB2 ASP 83 1HB ASP 83 12.015 14.734 -0.081 606 HB3 ASP 83 2HB ASP 83 13.106 15.065 1.264 607 H GLU 84 H GLU 84 12.423 14.392 3.250 608 HA GLU 84 HA GLU 84 9.889 13.848 4.410 609 HB2 GLU 84 1HB GLU 84 11.748 16.245 4.362 610 HB3 GLU 84 2HB GLU 84 10.176 16.360 5.139 611 HG2 GLU 84 1HG GLU 84 10.664 14.601 6.708 612 HG3 GLU 84 2HG GLU 84 12.154 14.181 5.855 613 H THR 85 H THR 85 10.657 16.007 1.685 614 HA THR 85 HA THR 85 8.050 17.221 1.596 615 HB THR 85 HB THR 85 10.177 16.736 -0.527 616 HG1 THR 85 1HG THR 85 10.968 18.197 0.720 617 HG21 THR 85 3HG2 THR 85 7.593 18.377 -0.713 618 HG22 THR 85 1HG2 THR 85 8.982 18.577 -1.819 619 HG23 THR 85 2HG2 THR 85 8.112 17.052 -1.760 620 H MET 86 H MET 86 9.390 14.559 -0.499 621 HA MET 86 HA MET 86 6.912 13.899 -1.695 622 HB2 MET 86 1HB MET 86 9.342 12.173 -1.102 623 HB3 MET 86 2HB MET 86 8.040 11.707 -2.196 624 HG2 MET 86 1HG MET 86 8.609 13.462 -3.732 625 HG3 MET 86 2HG MET 86 9.691 14.229 -2.579 626 HE1 MET 86 3HE MET 86 10.623 10.365 -4.964 627 HE2 MET 86 1HE MET 86 9.298 10.429 -3.788 628 HE3 MET 86 2HE MET 86 9.233 11.428 -5.262 629 H ALA 87 H ALA 87 8.440 12.680 1.301 630 HA ALA 87 HA ALA 87 6.446 10.655 1.730 631 HB1 ALA 87 1HB ALA 87 8.737 10.505 2.635 632 HB2 ALA 87 2HB ALA 87 8.396 11.880 3.711 633 HB3 ALA 87 3HB ALA 87 7.501 10.349 3.884 634 H GLN 88 H GLN 88 6.749 14.083 2.796 635 HA GLN 88 HA GLN 88 4.394 13.991 4.494 636 HB2 GLN 88 1HB GLN 88 5.883 15.771 4.902 637 HB3 GLN 88 2HB GLN 88 6.092 16.124 3.211 638 HG2 GLN 88 1HG GLN 88 4.929 17.935 4.153 639 HG3 GLN 88 2HG GLN 88 3.851 17.094 3.069 640 HE21 GLN 88 2HE2 GLN 88 1.984 16.000 3.979 641 HE22 GLN 88 1HE2 GLN 88 1.353 16.487 5.518 642 H GLN 89 H GLN 89 4.982 14.753 1.028 643 HA GLN 89 HA GLN 89 2.425 15.713 0.359 644 HB2 GLN 89 1HB GLN 89 4.299 14.021 -1.333 645 HB3 GLN 89 2HB GLN 89 2.911 14.891 -1.936 646 HG2 GLN 89 1HG GLN 89 4.615 16.706 -0.397 647 HG3 GLN 89 2HG GLN 89 5.555 15.811 -1.592 648 HE21 GLN 89 2HE2 GLN 89 5.406 16.400 -3.733 649 HE22 GLN 89 1HE2 GLN 89 4.383 17.686 -4.307 650 H LEU 90 H LEU 90 3.611 12.289 0.041 651 HA LEU 90 HA LEU 90 1.035 11.318 -0.591 652 HG LEU 90 HG LEU 90 4.194 10.864 -1.522 653 HB2 LEU 90 1HB LEU 90 3.450 9.845 0.536 654 HB3 LEU 90 2HB LEU 90 2.072 9.123 -0.257 655 HD11 LEU 90 1HD1 LEU 90 3.276 8.017 -2.066 656 HD12 LEU 90 2HD1 LEU 90 4.576 8.893 -2.903 657 HD13 LEU 90 3HD1 LEU 90 4.744 8.505 -1.197 658 HD21 LEU 90 3HD2 LEU 90 1.586 9.967 -2.806 659 HD22 LEU 90 1HD2 LEU 90 2.171 11.636 -2.552 660 HD23 LEU 90 2HD2 LEU 90 3.009 10.590 -3.682 661 H VAL 91 H VAL 91 2.568 11.890 2.597 662 HA VAL 91 HA VAL 91 0.643 10.365 4.058 663 HB VAL 91 HB VAL 91 2.879 12.047 4.655 664 HG11 VAL 91 1HG1 VAL 91 1.444 13.906 5.244 665 HG12 VAL 91 2HG1 VAL 91 0.509 12.872 6.325 666 HG13 VAL 91 3HG1 VAL 91 2.226 13.199 6.664 667 HG21 VAL 91 3HG2 VAL 91 1.131 10.421 6.514 668 HG22 VAL 91 1HG2 VAL 91 2.322 9.752 5.419 669 HG23 VAL 91 2HG2 VAL 91 2.858 10.819 6.728 670 H ASP 92 H ASP 92 0.596 13.649 2.625 671 HA ASP 92 HA ASP 92 -1.828 14.411 3.997 672 HB2 ASP 92 1HB ASP 92 -0.185 16.041 2.930 673 HB3 ASP 92 2HB ASP 92 -0.852 15.573 1.361 674 H ILE 93 H ILE 93 -1.061 12.738 1.014 675 HA ILE 93 HA ILE 93 -3.685 12.703 -0.082 676 HB ILE 93 HB ILE 93 -1.448 10.676 -0.492 677 HG12 ILE 93 1HG1 ILE 93 -0.770 13.065 -1.062 678 HG13 ILE 93 2HG1 ILE 93 -0.599 11.872 -2.309 679 HG21 ILE 93 1HG2 ILE 93 -3.822 11.378 -2.193 680 HG22 ILE 93 2HG2 ILE 93 -2.536 10.314 -2.730 681 HG23 ILE 93 3HG2 ILE 93 -3.581 9.852 -1.353 682 HD11 ILE 93 3HD1 ILE 93 -2.938 13.815 -2.166 683 HD12 ILE 93 1HD1 ILE 93 -1.440 14.112 -3.068 684 HD13 ILE 93 2HD1 ILE 93 -2.475 12.754 -3.531 685 H ILE 94 H ILE 94 -2.039 10.260 2.158 686 HA ILE 94 HA ILE 94 -4.539 8.708 2.095 687 HB ILE 94 HB ILE 94 -2.274 7.649 2.289 688 HG12 ILE 94 1HG1 ILE 94 -3.188 6.084 4.208 689 HG13 ILE 94 2HG1 ILE 94 -4.655 7.068 4.097 690 HG21 ILE 94 1HG2 ILE 94 -1.157 7.433 4.391 691 HG22 ILE 94 2HG2 ILE 94 -1.203 9.130 3.899 692 HG23 ILE 94 3HG2 ILE 94 -2.297 8.533 5.165 693 HD11 ILE 94 3HD1 ILE 94 -4.758 5.088 2.702 694 HD12 ILE 94 1HD1 ILE 94 -4.755 6.515 1.657 695 HD13 ILE 94 2HD1 ILE 94 -3.278 5.523 1.849 696 H HIS 95 H HIS 95 -2.975 11.028 4.301 697 HA HIS 95 HA HIS 95 -4.989 10.717 6.376 698 HD1 HIS 95 HD1 HIS 95 -1.306 13.364 7.867 699 HD2 HIS 95 HD2 HIS 95 -2.959 9.588 7.008 700 HE1 HIS 95 HE1 HIS 95 0.246 11.619 8.950 701 HE2 HIS 95 HE2 HIS 95 -0.715 9.311 8.362 702 HB2 HIS 95 1HB HIS 95 -3.150 13.033 5.683 703 HB3 HIS 95 2HB HIS 95 -4.172 12.999 7.097 704 H GLY 96 H GLY 96 -5.110 12.044 3.206 705 HA2 GLY 96 1HA GLY 96 -7.317 13.920 3.787 706 HA3 GLY 96 2HA GLY 96 -6.553 13.597 2.213 707 H CYS 97 H CYS 97 -6.686 11.030 1.744 708 HA CYS 97 HA CYS 97 -9.368 10.442 1.158 709 HB2 CYS 97 1HB CYS 97 -6.831 8.781 1.289 710 HB3 CYS 97 2HB CYS 97 -8.351 8.080 0.794 711 H GLU 98 H GLU 98 -7.505 9.566 4.069 712 HA GLU 98 HA GLU 98 -9.392 7.702 5.069 713 HB2 GLU 98 1HB GLU 98 -7.138 9.313 6.271 714 HB3 GLU 98 2HB GLU 98 -8.319 8.575 7.356 715 HG2 GLU 98 1HG GLU 98 -6.862 7.112 5.130 716 HG3 GLU 98 2HG GLU 98 -6.308 7.161 6.782 717 H LYS 99 H LYS 99 -8.992 11.239 5.516 718 HA LYS 99 HA LYS 99 -11.199 11.568 7.345 719 HB2 LYS 99 1HB LYS 99 -9.373 13.407 5.786 720 HB3 LYS 99 2HB LYS 99 -10.885 14.056 6.388 721 HG2 LYS 99 1HG LYS 99 -9.042 14.460 7.929 722 HG3 LYS 99 2HG LYS 99 -10.357 13.556 8.666 723 HD2 LYS 99 1HD LYS 99 -9.139 11.665 8.999 724 HD3 LYS 99 2HD LYS 99 -8.163 11.851 7.569 725 HE2 LYS 99 1HE LYS 99 -7.807 13.481 10.116 726 HE3 LYS 99 2HE LYS 99 -6.834 12.091 9.618 727 HZ1 LYS 99 3HZ LYS 99 -5.608 13.880 8.878 728 HZ2 LYS 99 1HZ LYS 99 -6.438 13.464 7.510 729 HZ3 LYS 99 2HZ LYS 99 -6.915 14.753 8.358 730 H SER 100 H SER 100 -10.817 12.452 3.898 731 HA SER 100 HA SER 100 -13.636 12.929 3.451 732 HG SER 100 HG SER 100 -11.766 15.025 2.487 733 HB2 SER 100 1HB SER 100 -11.056 13.025 1.892 734 HB3 SER 100 2HB SER 100 -12.532 12.770 0.984 735 H ALA 101 H ALA 101 -12.585 9.996 4.326 736 HA ALA 101 HA ALA 101 -13.202 8.395 2.125 737 HB1 ALA 101 1HB ALA 101 -13.574 7.756 5.081 738 HB2 ALA 101 2HB ALA 101 -13.532 6.581 3.744 739 HB3 ALA 101 3HB ALA 101 -12.078 7.497 4.154 740 HA PRO 102 HA PRO 102 -17.595 8.892 2.025 741 HB2 PRO 102 1HB PRO 102 -18.344 6.664 0.627 742 HB3 PRO 102 2HB PRO 102 -17.442 8.007 -0.099 743 HG2 PRO 102 1HG PRO 102 -16.359 5.387 0.910 744 HG3 PRO 102 2HG PRO 102 -15.979 6.217 -0.629 745 HD2 PRO 102 1HD PRO 102 -14.419 6.393 1.635 746 HD3 PRO 102 2HD PRO 102 -14.508 7.733 0.473 747 HA PRO 103 HA PRO 103 -19.059 6.510 5.444 748 HB2 PRO 103 1HB PRO 103 -21.727 6.463 5.184 749 HB3 PRO 103 2HB PRO 103 -20.844 7.996 5.458 750 HG2 PRO 103 1HG PRO 103 -21.817 6.881 2.792 751 HG3 PRO 103 2HG PRO 103 -22.017 8.539 3.419 752 HD2 PRO 103 1HD PRO 103 -20.017 7.867 1.708 753 HD3 PRO 103 2HD PRO 103 -19.769 9.070 3.000 754 H ASN 104 H ASN 104 -17.942 4.744 4.558 755 HA ASN 104 HA ASN 104 -19.658 2.357 4.582 756 HB2 ASN 104 1HB ASN 104 -19.090 2.684 2.143 757 HB3 ASN 104 2HB ASN 104 -17.362 2.677 2.568 758 HD21 ASN 104 2HD2 ASN 104 -16.646 0.738 3.838 759 HD22 ASN 104 1HD2 ASN 104 -17.509 -0.824 3.650 760 H ASP 105 H ASP 105 -18.869 2.079 6.820 761 HA ASP 105 HA ASP 105 -15.918 2.245 7.154 762 HB2 ASP 105 1HB ASP 105 -17.914 1.817 9.352 763 HB3 ASP 105 2HB ASP 105 -16.158 2.187 9.403 764 H ASP 106 H ASP 106 -14.727 0.420 7.935 765 HA ASP 106 HA ASP 106 -15.672 -2.165 8.393 766 HB2 ASP 106 1HB ASP 106 -16.148 -1.610 5.701 767 HB3 ASP 106 2HB ASP 106 -14.479 -2.092 5.658 768 H LYS 107 H LYS 107 -13.852 -3.735 8.161 769 HA LYS 107 HA LYS 107 -11.208 -2.392 8.078 770 HB2 LYS 107 1HB LYS 107 -12.041 -5.107 9.082 771 HB3 LYS 107 2HB LYS 107 -10.357 -4.619 8.904 772 HG2 LYS 107 1HG LYS 107 -10.938 -2.678 10.384 773 HG3 LYS 107 2HG LYS 107 -12.522 -3.417 10.673 774 HD2 LYS 107 1HD LYS 107 -11.259 -4.152 12.529 775 HD3 LYS 107 2HD LYS 107 -11.198 -5.506 11.411 776 HE2 LYS 107 1HE LYS 107 -8.940 -5.336 12.012 777 HE3 LYS 107 2HE LYS 107 -8.985 -4.351 10.544 778 HZ1 LYS 107 3HZ LYS 107 -8.731 -3.503 13.316 779 HZ2 LYS 107 1HZ LYS 107 -7.914 -2.995 11.982 780 HZ3 LYS 107 2HZ LYS 107 -9.438 -2.462 12.251 781 H CYS 108 H CYS 108 -13.299 -4.421 6.057 782 HA CYS 108 HA CYS 108 -11.023 -4.666 4.167 783 HB2 CYS 108 1HB CYS 108 -13.174 -6.741 4.623 784 HB3 CYS 108 2HB CYS 108 -11.849 -6.773 3.461 785 H MET 109 H MET 109 -13.111 -2.579 4.319 786 HA MET 109 HA MET 109 -13.862 -2.781 1.506 787 HB2 MET 109 1HB MET 109 -15.982 -2.510 3.618 788 HB3 MET 109 2HB MET 109 -16.126 -1.601 2.120 789 HG2 MET 109 1HG MET 109 -15.571 -4.485 1.749 790 HG3 MET 109 2HG MET 109 -17.104 -4.076 2.482 791 HE1 MET 109 3HE MET 109 -15.197 -1.830 -0.213 792 HE2 MET 109 1HE MET 109 -14.837 -3.489 -0.775 793 HE3 MET 109 2HE MET 109 -15.920 -2.435 -1.716 794 H LYS 110 H LYS 110 -14.313 -0.664 4.422 795 HA LYS 110 HA LYS 110 -13.972 1.809 3.307 796 HB2 LYS 110 1HB LYS 110 -14.449 1.439 5.657 797 HB3 LYS 110 2HB LYS 110 -12.899 0.654 5.914 798 HG2 LYS 110 1HG LYS 110 -12.834 2.836 6.929 799 HG3 LYS 110 2HG LYS 110 -11.707 2.770 5.580 800 HD2 LYS 110 1HD LYS 110 -12.651 4.808 5.170 801 HD3 LYS 110 2HD LYS 110 -13.713 3.804 4.210 802 HE2 LYS 110 1HE LYS 110 -15.274 5.104 5.325 803 HE3 LYS 110 2HE LYS 110 -15.199 3.731 6.439 804 HZ1 LYS 110 3HZ LYS 110 -13.597 6.185 6.846 805 HZ2 LYS 110 1HZ LYS 110 -15.090 5.880 7.529 806 HZ3 LYS 110 2HZ LYS 110 -13.817 4.955 7.878 807 H THR 111 H THR 111 -11.302 -0.367 4.253 808 HA THR 111 HA THR 111 -9.114 1.130 3.537 809 HB THR 111 HB THR 111 -9.377 -1.836 2.949 810 HG1 THR 111 1HG THR 111 -9.251 -0.646 5.532 811 HG21 THR 111 3HG2 THR 111 -7.167 -0.870 2.590 812 HG22 THR 111 1HG2 THR 111 -7.181 -0.190 4.231 813 HG23 THR 111 2HG2 THR 111 -7.147 -1.959 4.003 814 H ILE 112 H ILE 112 -11.238 -0.726 1.300 815 HA ILE 112 HA ILE 112 -9.553 -0.270 -0.994 816 HB ILE 112 HB ILE 112 -12.448 -1.154 -0.623 817 HG12 ILE 112 1HG1 ILE 112 -10.243 -2.765 -1.921 818 HG13 ILE 112 2HG1 ILE 112 -10.340 -2.664 -0.168 819 HG21 ILE 112 1HG2 ILE 112 -12.647 -0.031 -2.652 820 HG22 ILE 112 2HG2 ILE 112 -11.057 -0.546 -3.221 821 HG23 ILE 112 3HG2 ILE 112 -12.407 -1.711 -3.109 822 HD11 ILE 112 3HD1 ILE 112 -12.599 -3.636 -1.955 823 HD12 ILE 112 1HD1 ILE 112 -11.522 -4.635 -0.975 824 HD13 ILE 112 2HD1 ILE 112 -12.630 -3.519 -0.177 825 H ASP 113 H ASP 113 -12.473 1.264 0.416 826 HA ASP 113 HA ASP 113 -12.889 3.160 -1.565 827 HB2 ASP 113 1HB ASP 113 -13.490 3.299 1.413 828 HB3 ASP 113 2HB ASP 113 -14.042 4.494 0.264 829 H VAL 114 H VAL 114 -10.841 3.409 1.342 830 HA VAL 114 HA VAL 114 -9.794 6.053 0.824 831 HB VAL 114 HB VAL 114 -8.759 3.723 2.487 832 HG11 VAL 114 1HG1 VAL 114 -7.937 6.664 2.565 833 HG12 VAL 114 2HG1 VAL 114 -7.394 5.387 3.655 834 HG13 VAL 114 3HG1 VAL 114 -6.936 5.326 1.959 835 HG21 VAL 114 3HG2 VAL 114 -10.243 6.256 3.337 836 HG22 VAL 114 1HG2 VAL 114 -10.994 4.660 3.224 837 HG23 VAL 114 2HG2 VAL 114 -9.701 4.938 4.394 838 H ALA 115 H ALA 115 -8.492 2.721 0.046 839 HA ALA 115 HA ALA 115 -6.085 3.679 -1.043 840 HB1 ALA 115 1HB ALA 115 -6.468 1.333 -0.414 841 HB2 ALA 115 2HB ALA 115 -7.623 1.151 -1.752 842 HB3 ALA 115 3HB ALA 115 -5.906 1.462 -2.090 843 H MET 116 H MET 116 -9.201 2.965 -2.770 844 HA MET 116 HA MET 116 -8.104 3.678 -5.347 845 HB2 MET 116 1HB MET 116 -10.323 3.339 -6.170 846 HB3 MET 116 2HB MET 116 -10.009 2.101 -4.948 847 HG2 MET 116 1HG MET 116 -11.151 3.703 -3.278 848 HG3 MET 116 2HG MET 116 -11.676 4.613 -4.678 849 HE1 MET 116 3HE MET 116 -13.933 1.758 -6.436 850 HE2 MET 116 1HE MET 116 -13.270 3.393 -6.658 851 HE3 MET 116 2HE MET 116 -12.185 1.982 -6.669 852 H CYS 117 H CYS 117 -9.470 5.530 -2.663 853 HA CYS 117 HA CYS 117 -9.805 7.979 -4.173 854 HB2 CYS 117 1HB CYS 117 -10.934 7.901 -2.121 855 HB3 CYS 117 2HB CYS 117 -9.529 7.369 -1.230 856 H PHE 118 H PHE 118 -7.104 6.573 -2.158 857 HA PHE 118 HA PHE 118 -5.356 8.693 -2.330 858 HD1 PHE 118 HD2 PHE 118 -2.505 6.859 -3.983 859 HD2 PHE 118 HD1 PHE 118 -3.210 7.461 0.246 860 HE1 PHE 118 HE2 PHE 118 -0.124 7.502 -3.619 861 HE2 PHE 118 HE1 PHE 118 -0.826 8.056 0.536 862 HZ PHE 118 HZ PHE 118 0.692 8.139 -1.500 863 HB2 PHE 118 1HB PHE 118 -4.956 6.595 -1.029 864 HB3 PHE 118 2HB PHE 118 -4.565 5.751 -2.510 865 H LYS 119 H LYS 119 -5.462 5.954 -4.665 866 HA LYS 119 HA LYS 119 -3.575 7.146 -6.446 867 HB2 LYS 119 1HB LYS 119 -4.026 4.842 -6.469 868 HB3 LYS 119 2HB LYS 119 -5.723 5.065 -6.916 869 HG2 LYS 119 1HG LYS 119 -5.102 5.822 -9.127 870 HG3 LYS 119 2HG LYS 119 -3.396 5.981 -8.659 871 HD2 LYS 119 1HD LYS 119 -3.812 4.027 -10.076 872 HD3 LYS 119 2HD LYS 119 -3.148 3.572 -8.498 873 HE2 LYS 119 1HE LYS 119 -6.119 3.654 -8.641 874 HE3 LYS 119 2HE LYS 119 -5.422 2.459 -9.717 875 HZ1 LYS 119 3HZ LYS 119 -5.990 1.728 -7.444 876 HZ2 LYS 119 1HZ LYS 119 -4.480 1.316 -7.976 877 HZ3 LYS 119 2HZ LYS 119 -4.649 2.518 -6.882 878 H LYS 120 H LYS 120 -7.081 7.958 -6.077 879 HA LYS 120 HA LYS 120 -7.223 9.228 -8.657 880 HB2 LYS 120 1HB LYS 120 -9.170 8.312 -7.908 881 HB3 LYS 120 2HB LYS 120 -8.967 8.761 -6.247 882 HG2 LYS 120 1HG LYS 120 -9.499 10.798 -8.409 883 HG3 LYS 120 2HG LYS 120 -10.799 9.912 -7.588 884 HD2 LYS 120 1HD LYS 120 -8.753 11.633 -6.191 885 HD3 LYS 120 2HD LYS 120 -10.395 12.147 -6.643 886 HE2 LYS 120 1HE LYS 120 -11.064 10.027 -5.186 887 HE3 LYS 120 2HE LYS 120 -9.441 10.244 -4.520 888 HZ1 LYS 120 3HZ LYS 120 -11.664 12.179 -4.499 889 HZ2 LYS 120 1HZ LYS 120 -10.961 11.514 -3.217 890 HZ3 LYS 120 2HZ LYS 120 -10.099 12.612 -4.138 891 H GLU 121 H GLU 121 -6.521 10.080 -5.222 892 HA GLU 121 HA GLU 121 -6.293 12.899 -5.718 893 HB2 GLU 121 1HB GLU 121 -5.377 11.014 -3.531 894 HB3 GLU 121 2HB GLU 121 -5.140 12.756 -3.437 895 HG2 GLU 121 1HG GLU 121 -7.795 11.269 -3.485 896 HG3 GLU 121 2HG GLU 121 -7.004 12.015 -2.092 897 H ILE 122 H ILE 122 -4.050 10.213 -6.449 898 HA ILE 122 HA ILE 122 -1.740 11.863 -6.289 899 HB ILE 122 HB ILE 122 -2.379 9.400 -7.988 900 HG12 ILE 122 1HG1 ILE 122 -0.970 9.714 -5.319 901 HG13 ILE 122 2HG1 ILE 122 -2.434 8.844 -5.665 902 HG21 ILE 122 1HG2 ILE 122 0.365 10.562 -7.483 903 HG22 ILE 122 2HG2 ILE 122 -0.025 9.086 -8.396 904 HG23 ILE 122 3HG2 ILE 122 -0.530 10.631 -9.025 905 HD11 ILE 122 3HD1 ILE 122 -1.016 7.314 -7.213 906 HD12 ILE 122 1HD1 ILE 122 0.387 7.991 -6.307 907 HD13 ILE 122 2HD1 ILE 122 -0.888 7.110 -5.484 908 H HIS 123 H HIS 123 -4.432 11.877 -8.541 909 HA HIS 123 HA HIS 123 -3.214 13.572 -10.546 910 HD1 HIS 123 HD1 HIS 123 -5.146 13.163 -13.350 911 HD2 HIS 123 HD2 HIS 123 -5.453 10.221 -10.340 912 HE1 HIS 123 HE1 HIS 123 -5.093 10.871 -14.554 913 HE2 HIS 123 HE2 HIS 123 -5.343 9.080 -12.702 914 HB2 HIS 123 1HB HIS 123 -6.122 12.985 -9.791 915 HB3 HIS 123 2HB HIS 123 -5.618 14.058 -11.035 916 H LYS 124 H LYS 124 -2.605 14.317 -7.785 917 HA LYS 124 HA LYS 124 -3.447 17.160 -8.095 918 HB2 LYS 124 1HB LYS 124 -2.857 15.692 -5.475 919 HB3 LYS 124 2HB LYS 124 -3.216 17.406 -5.653 920 HG2 LYS 124 1HG LYS 124 -5.438 16.925 -6.500 921 HG3 LYS 124 2HG LYS 124 -5.123 15.184 -6.465 922 HD2 LYS 124 1HD LYS 124 -5.397 14.948 -4.266 923 HD3 LYS 124 2HD LYS 124 -4.715 16.517 -3.871 924 HE2 LYS 124 1HE LYS 124 -7.118 16.501 -3.327 925 HE3 LYS 124 2HE LYS 124 -6.740 17.688 -4.582 926 HZ1 LYS 124 3HZ LYS 124 -8.702 16.586 -5.205 927 HZ2 LYS 124 1HZ LYS 124 -7.566 15.935 -6.201 928 HZ3 LYS 124 2HZ LYS 124 -8.117 15.102 -4.887 929 H LEU 125 H LEU 125 -0.985 14.730 -8.064 930 HA LEU 125 HA LEU 125 1.149 16.653 -7.282 931 HG LEU 125 HG LEU 125 -0.243 14.621 -5.568 932 HB2 LEU 125 1HB LEU 125 1.291 13.647 -7.520 933 HB3 LEU 125 2HB LEU 125 2.483 14.685 -6.786 934 HD11 LEU 125 1HD1 LEU 125 0.465 12.677 -4.213 935 HD12 LEU 125 2HD1 LEU 125 0.313 12.301 -5.928 936 HD13 LEU 125 3HD1 LEU 125 1.944 12.544 -5.229 937 HD21 LEU 125 3HD2 LEU 125 1.458 16.203 -4.699 938 HD22 LEU 125 1HD2 LEU 125 0.919 15.005 -3.506 939 HD23 LEU 125 2HD2 LEU 125 2.494 14.814 -4.281 940 H ASN 126 H ASN 126 2.968 16.431 -8.626 941 HA ASN 126 HA ASN 126 2.312 15.600 -11.483 942 HB2 ASN 126 1HB ASN 126 3.617 18.171 -10.555 943 HB3 ASN 126 2HB ASN 126 3.772 17.542 -12.195 944 HD21 ASN 126 2HD2 ASN 126 0.665 16.599 -10.904 945 HD22 ASN 126 1HD2 ASN 126 -0.205 17.762 -11.780 946 H TRP 127 H TRP 127 3.347 14.021 -9.630 947 HA TRP 127 HA TRP 127 5.794 13.135 -11.044 948 HD1 TRP 127 HD1 TRP 127 4.745 15.418 -7.541 949 HE1 TRP 127 HE1 TRP 127 4.313 14.901 -5.123 950 HE3 TRP 127 HE3 TRP 127 6.874 10.777 -7.341 951 HZ2 TRP 127 HZ2 TRP 127 4.807 12.795 -3.286 952 HZ3 TRP 127 HZ3 TRP 127 7.111 9.642 -5.114 953 HH2 TRP 127 HH2 TRP 127 6.066 10.626 -3.094 954 HB2 TRP 127 1HB TRP 127 7.090 12.757 -9.028 955 HB3 TRP 127 2HB TRP 127 6.680 14.446 -9.210 956 H VAL 128 H VAL 128 6.529 10.930 -9.795 957 HA VAL 128 HA VAL 128 4.144 9.213 -9.586 958 HB VAL 128 HB VAL 128 4.861 9.365 -11.821 959 HG11 VAL 128 1HG1 VAL 128 6.861 8.356 -12.666 960 HG12 VAL 128 2HG1 VAL 128 7.288 9.563 -11.430 961 HG13 VAL 128 3HG1 VAL 128 7.327 7.839 -11.037 962 HG21 VAL 128 3HG2 VAL 128 3.673 7.346 -10.977 963 HG22 VAL 128 1HG2 VAL 128 4.780 6.939 -12.295 964 HG23 VAL 128 2HG2 VAL 128 5.233 6.586 -10.615 965 HA PRO 129 HA PRO 129 6.802 7.921 -6.184 966 HB2 PRO 129 1HB PRO 129 4.495 6.250 -5.396 967 HB3 PRO 129 2HB PRO 129 5.335 7.531 -4.479 968 HG2 PRO 129 1HG PRO 129 2.781 7.841 -5.514 969 HG3 PRO 129 2HG PRO 129 3.941 9.189 -5.299 970 HD2 PRO 129 1HD PRO 129 3.292 7.653 -7.813 971 HD3 PRO 129 2HD PRO 129 3.557 9.410 -7.559 972 H ASN 130 H ASN 130 7.896 5.949 -5.820 973 HA ASN 130 HA ASN 130 7.879 3.692 -7.533 974 HB2 ASN 130 1HB ASN 130 8.241 3.809 -4.486 975 HB3 ASN 130 2HB ASN 130 8.523 2.371 -5.451 976 HD21 ASN 130 2HD2 ASN 130 10.083 4.998 -4.138 977 HD22 ASN 130 1HD2 ASN 130 11.579 4.795 -4.985 978 H MET 131 H MET 131 6.689 1.676 -7.437 979 HA MET 131 HA MET 131 3.998 1.719 -6.578 980 HB2 MET 131 1HB MET 131 4.006 -0.671 -6.881 981 HB3 MET 131 2HB MET 131 4.860 0.109 -8.201 982 HG2 MET 131 1HG MET 131 6.665 -1.134 -7.862 983 HG3 MET 131 2HG MET 131 6.830 -0.621 -6.207 984 HE1 MET 131 3HE MET 131 4.853 -3.367 -4.241 985 HE2 MET 131 1HE MET 131 6.014 -2.035 -4.105 986 HE3 MET 131 2HE MET 131 4.370 -1.710 -4.693 987 H ASP 132 H ASP 132 6.961 0.874 -4.837 988 HA ASP 132 HA ASP 132 5.891 -0.256 -2.502 989 HB2 ASP 132 1HB ASP 132 8.279 1.612 -2.424 990 HB3 ASP 132 2HB ASP 132 8.012 0.149 -1.497 991 H LEU 133 H LEU 133 6.492 3.186 -3.254 992 HA LEU 133 HA LEU 133 5.937 4.189 -0.669 993 HG LEU 133 HG LEU 133 8.058 4.984 -2.526 994 HB2 LEU 133 1HB LEU 133 5.727 5.404 -3.448 995 HB3 LEU 133 2HB LEU 133 5.378 6.338 -1.992 996 HD11 LEU 133 1HD1 LEU 133 7.251 7.911 -2.832 997 HD12 LEU 133 2HD1 LEU 133 8.884 7.257 -3.023 998 HD13 LEU 133 3HD1 LEU 133 7.623 6.795 -4.149 999 HD21 LEU 133 3HD2 LEU 133 8.818 6.569 -0.766 1000 HD22 LEU 133 1HD2 LEU 133 7.117 7.004 -0.441 1001 HD23 LEU 133 2HD2 LEU 133 7.684 5.347 -0.129 1002 H VAL 134 H VAL 134 3.808 3.793 -3.504 1003 HA VAL 134 HA VAL 134 1.490 4.990 -2.434 1004 HB VAL 134 HB VAL 134 1.699 2.644 -4.385 1005 HG11 VAL 134 1HG1 VAL 134 -0.597 3.073 -3.542 1006 HG12 VAL 134 2HG1 VAL 134 -0.496 4.743 -4.118 1007 HG13 VAL 134 3HG1 VAL 134 -0.426 3.385 -5.282 1008 HG21 VAL 134 3HG2 VAL 134 1.699 5.639 -4.961 1009 HG22 VAL 134 1HG2 VAL 134 3.052 4.507 -5.214 1010 HG23 VAL 134 2HG2 VAL 134 1.594 4.335 -6.161 1011 H ILE 135 H ILE 135 2.586 1.582 -2.268 1012 HA ILE 135 HA ILE 135 0.233 0.722 -0.825 1013 HB ILE 135 HB ILE 135 2.908 -0.682 -1.174 1014 HG12 ILE 135 1HG1 ILE 135 0.387 -0.916 -2.832 1015 HG13 ILE 135 2HG1 ILE 135 1.838 -0.121 -3.372 1016 HG21 ILE 135 1HG2 ILE 135 1.502 -1.636 0.640 1017 HG22 ILE 135 2HG2 ILE 135 0.095 -1.693 -0.443 1018 HG23 ILE 135 3HG2 ILE 135 1.496 -2.744 -0.720 1019 HD11 ILE 135 3HD1 ILE 135 1.376 -3.058 -2.965 1020 HD12 ILE 135 1HD1 ILE 135 1.954 -2.206 -4.399 1021 HD13 ILE 135 2HD1 ILE 135 3.024 -2.393 -2.982 1022 H GLY 136 H GLY 136 3.671 1.415 0.052 1023 HA2 GLY 136 1HA GLY 136 3.721 0.907 2.741 1024 HA3 GLY 136 2HA GLY 136 4.548 2.266 1.970 1025 H GLU 137 H GLU 137 2.176 3.822 1.237 1026 HA GLU 137 HA GLU 137 1.750 5.077 3.782 1027 HB2 GLU 137 1HB GLU 137 0.459 5.520 1.073 1028 HB3 GLU 137 2HB GLU 137 0.013 6.456 2.492 1029 HG2 GLU 137 1HG GLU 137 2.767 6.350 1.237 1030 HG3 GLU 137 2HG GLU 137 1.583 7.655 1.156 1031 H VAL 138 H VAL 138 -0.709 3.259 1.723 1032 HA VAL 138 HA VAL 138 -2.709 3.532 3.639 1033 HB VAL 138 HB VAL 138 -2.782 2.680 1.229 1034 HG11 VAL 138 1HG1 VAL 138 -2.515 -0.044 2.483 1035 HG12 VAL 138 2HG1 VAL 138 -3.077 0.289 0.844 1036 HG13 VAL 138 3HG1 VAL 138 -1.415 0.668 1.287 1037 HG21 VAL 138 3HG2 VAL 138 -4.698 2.964 2.670 1038 HG22 VAL 138 1HG2 VAL 138 -4.915 1.586 1.590 1039 HG23 VAL 138 2HG2 VAL 138 -4.495 1.330 3.312 1040 H LEU 139 H LEU 139 -0.329 0.917 3.324 1041 HA LEU 139 HA LEU 139 -0.789 -0.630 5.536 1042 HG LEU 139 HG LEU 139 0.621 -2.458 4.839 1043 HB2 LEU 139 1HB LEU 139 1.617 0.208 3.919 1044 HB3 LEU 139 2HB LEU 139 1.915 -0.612 5.437 1045 HD11 LEU 139 1HD1 LEU 139 -0.360 -2.855 2.590 1046 HD12 LEU 139 2HD1 LEU 139 -1.191 -1.637 3.562 1047 HD13 LEU 139 3HD1 LEU 139 -0.107 -1.121 2.252 1048 HD21 LEU 139 3HD2 LEU 139 2.581 -1.671 2.661 1049 HD22 LEU 139 1HD2 LEU 139 2.930 -2.535 4.165 1050 HD23 LEU 139 2HD2 LEU 139 1.994 -3.331 2.899 1051 H ALA 140 H ALA 140 0.945 2.425 5.471 1052 HA ALA 140 HA ALA 140 1.632 2.232 8.279 1053 HB1 ALA 140 1HB ALA 140 3.057 3.559 6.778 1054 HB2 ALA 140 2HB ALA 140 1.691 4.610 6.345 1055 HB3 ALA 140 3HB ALA 140 2.338 4.639 7.990 1056 H GLU 141 H GLU 141 -0.917 4.000 6.454 1057 HA GLU 141 HA GLU 141 -1.825 5.425 8.787 1058 HB2 GLU 141 1HB GLU 141 -2.244 5.686 6.094 1059 HB3 GLU 141 2HB GLU 141 -3.795 5.012 6.594 1060 HG2 GLU 141 1HG GLU 141 -2.427 7.542 7.469 1061 HG3 GLU 141 2HG GLU 141 -3.956 7.457 6.590 1062 H VAL 142 H VAL 142 -2.993 2.479 7.073 1063 HA VAL 142 HA VAL 142 -5.144 1.847 8.864 1064 HB VAL 142 HB VAL 142 -3.468 0.146 6.928 1065 HG11 VAL 142 1HG1 VAL 142 -5.388 -1.458 7.014 1066 HG12 VAL 142 2HG1 VAL 142 -4.602 -1.319 8.591 1067 HG13 VAL 142 3HG1 VAL 142 -6.138 -0.479 8.295 1068 HG21 VAL 142 3HG2 VAL 142 -4.755 1.914 5.794 1069 HG22 VAL 142 1HG2 VAL 142 -5.408 0.329 5.436 1070 HG23 VAL 142 2HG2 VAL 142 -6.245 1.389 6.601 Start of MODEL 17 1 HA SER 1 HA SER 1 23.427 -11.553 -13.953 2 HG SER 1 HG SER 1 24.549 -14.783 -11.876 3 H1 SER 1 H SER 1 25.781 -12.129 -13.994 4 HB2 SER 1 1HB SER 1 22.695 -13.322 -12.173 5 HB3 SER 1 2HB SER 1 23.629 -13.811 -13.585 6 HA PRO 2 HA PRO 2 22.208 -8.708 -10.809 7 HB2 PRO 2 1HB PRO 2 19.502 -8.875 -10.796 8 HB3 PRO 2 2HB PRO 2 20.402 -8.229 -12.191 9 HG2 PRO 2 1HG PRO 2 19.280 -11.004 -11.808 10 HG3 PRO 2 2HG PRO 2 19.189 -9.969 -13.269 11 HD2 PRO 2 1HD PRO 2 21.042 -11.990 -12.886 12 HD3 PRO 2 2HD PRO 2 21.373 -10.568 -13.906 13 H GLU 3 H GLU 3 22.218 -8.813 -8.534 14 HA GLU 3 HA GLU 3 22.127 -11.461 -7.394 15 HB2 GLU 3 1HB GLU 3 23.568 -9.302 -6.855 16 HB3 GLU 3 2HB GLU 3 22.189 -8.845 -5.870 17 HG2 GLU 3 1HG GLU 3 23.664 -9.930 -4.382 18 HG3 GLU 3 2HG GLU 3 22.453 -11.168 -4.730 19 H ILE 4 H ILE 4 19.948 -8.804 -7.772 20 HA ILE 4 HA ILE 4 18.187 -7.973 -6.596 21 HB ILE 4 HB ILE 4 16.177 -9.420 -6.784 22 HG12 ILE 4 1HG1 ILE 4 17.894 -11.237 -8.509 23 HG13 ILE 4 2HG1 ILE 4 17.638 -11.588 -6.806 24 HG21 ILE 4 1HG2 ILE 4 16.089 -9.096 -9.212 25 HG22 ILE 4 2HG2 ILE 4 16.873 -7.713 -8.438 26 HG23 ILE 4 3HG2 ILE 4 17.849 -8.933 -9.283 27 HD11 ILE 4 3HD1 ILE 4 15.407 -11.229 -8.841 28 HD12 ILE 4 1HD1 ILE 4 15.989 -12.770 -8.177 29 HD13 ILE 4 2HD1 ILE 4 15.200 -11.587 -7.114 30 H MET 5 H MET 5 19.742 -8.085 -4.836 31 HA MET 5 HA MET 5 19.405 -9.777 -2.608 32 HB2 MET 5 1HB MET 5 20.120 -6.825 -2.438 33 HB3 MET 5 2HB MET 5 20.508 -8.100 -1.278 34 HG2 MET 5 1HG MET 5 21.797 -9.261 -3.134 35 HG3 MET 5 2HG MET 5 21.549 -7.808 -4.102 36 HE1 MET 5 3HE MET 5 23.909 -9.670 -1.867 37 HE2 MET 5 1HE MET 5 24.618 -8.460 -0.777 38 HE3 MET 5 2HE MET 5 22.930 -8.969 -0.560 39 H LYS 6 H LYS 6 18.646 -8.804 -0.384 40 HA LYS 6 HA LYS 6 15.778 -8.641 -0.477 41 HB2 LYS 6 1HB LYS 6 17.854 -8.477 1.705 42 HB3 LYS 6 2HB LYS 6 16.159 -8.104 2.027 43 HG2 LYS 6 1HG LYS 6 15.409 -10.276 1.378 44 HG3 LYS 6 2HG LYS 6 16.971 -10.685 0.649 45 HD2 LYS 6 1HD LYS 6 18.055 -10.749 2.806 46 HD3 LYS 6 2HD LYS 6 16.580 -10.214 3.638 47 HE2 LYS 6 1HE LYS 6 15.415 -12.242 3.104 48 HE3 LYS 6 2HE LYS 6 16.608 -12.692 1.881 49 HZ1 LYS 6 3HZ LYS 6 17.057 -12.720 4.809 50 HZ2 LYS 6 1HZ LYS 6 16.955 -14.004 3.794 51 HZ3 LYS 6 2HZ LYS 6 18.228 -12.980 3.671 52 H ASN 7 H ASN 7 15.547 -6.885 -1.987 53 HA ASN 7 HA ASN 7 15.935 -4.140 -0.911 54 HB2 ASN 7 1HB ASN 7 15.657 -5.133 -3.728 55 HB3 ASN 7 2HB ASN 7 15.800 -3.441 -3.236 56 HD21 ASN 7 2HD2 ASN 7 17.538 -5.933 -4.337 57 HD22 ASN 7 1HD2 ASN 7 19.168 -5.405 -3.889 58 H LEU 8 H LEU 8 13.920 -5.498 0.160 59 HA LEU 8 HA LEU 8 11.837 -5.796 0.593 60 HG LEU 8 HG LEU 8 10.157 -2.140 -0.298 61 HB2 LEU 8 1HB LEU 8 11.197 -3.772 1.139 62 HB3 LEU 8 2HB LEU 8 12.145 -3.069 -0.133 63 HD11 LEU 8 1HD1 LEU 8 9.337 -2.491 -2.404 64 HD12 LEU 8 2HD1 LEU 8 11.034 -2.990 -2.453 65 HD13 LEU 8 3HD1 LEU 8 9.738 -4.206 -2.437 66 HD21 LEU 8 3HD2 LEU 8 8.607 -4.694 0.000 67 HD22 LEU 8 1HD2 LEU 8 8.982 -3.541 1.278 68 HD23 LEU 8 2HD2 LEU 8 7.984 -3.026 -0.063 69 H SER 9 H SER 9 12.514 -6.014 -2.596 70 HA SER 9 HA SER 9 10.050 -6.601 -3.719 71 HG SER 9 HG SER 9 12.652 -6.151 -5.991 72 HB2 SER 9 1HB SER 9 12.688 -7.943 -4.414 73 HB3 SER 9 2HB SER 9 11.274 -7.765 -5.454 74 H ASN 10 H ASN 10 12.303 -9.130 -2.622 75 HA ASN 10 HA ASN 10 10.627 -11.341 -2.561 76 HB2 ASN 10 1HB ASN 10 12.642 -10.953 -0.335 77 HB3 ASN 10 2HB ASN 10 12.283 -12.404 -1.260 78 HD21 ASN 10 2HD2 ASN 10 14.038 -9.359 -1.161 79 HD22 ASN 10 1HD2 ASN 10 15.144 -9.735 -2.481 80 H ASN 11 H ASN 11 10.432 -8.672 -0.509 81 HA ASN 11 HA ASN 11 9.484 -10.134 1.900 82 HB2 ASN 11 1HB ASN 11 10.277 -7.228 1.474 83 HB3 ASN 11 2HB ASN 11 9.904 -7.986 3.007 84 HD21 ASN 11 2HD2 ASN 11 12.441 -6.646 2.200 85 HD22 ASN 11 1HD2 ASN 11 13.635 -7.846 2.546 86 H PHE 12 H PHE 12 8.613 -7.565 -0.442 87 HA PHE 12 HA PHE 12 5.993 -7.006 0.354 88 HD1 PHE 12 HD2 PHE 12 4.016 -6.520 -1.427 89 HD2 PHE 12 HD1 PHE 12 7.516 -4.110 -1.960 90 HE1 PHE 12 HE2 PHE 12 2.655 -4.483 -0.988 91 HE2 PHE 12 HE1 PHE 12 6.197 -2.064 -1.531 92 HZ PHE 12 HZ PHE 12 3.848 -2.210 -0.939 93 HB2 PHE 12 1HB PHE 12 7.739 -6.323 -1.752 94 HB3 PHE 12 2HB PHE 12 6.513 -7.222 -2.616 95 H GLY 13 H GLY 13 7.215 -9.513 -2.010 96 HA2 GLY 13 1HA GLY 13 4.648 -10.700 -2.461 97 HA3 GLY 13 2HA GLY 13 6.206 -11.442 -2.788 98 H LYS 14 H LYS 14 7.079 -11.194 0.097 99 HA LYS 14 HA LYS 14 6.096 -13.569 1.247 100 HB2 LYS 14 1HB LYS 14 8.052 -11.721 1.917 101 HB3 LYS 14 2HB LYS 14 6.877 -11.394 3.169 102 HG2 LYS 14 1HG LYS 14 6.775 -13.786 3.699 103 HG3 LYS 14 2HG LYS 14 8.010 -14.081 2.436 104 HD2 LYS 14 1HD LYS 14 9.691 -12.926 3.701 105 HD3 LYS 14 2HD LYS 14 8.500 -12.244 4.822 106 HE2 LYS 14 1HE LYS 14 7.864 -14.574 5.519 107 HE3 LYS 14 2HE LYS 14 9.155 -15.210 4.503 108 HZ1 LYS 14 3HZ LYS 14 9.567 -13.380 6.814 109 HZ2 LYS 14 1HZ LYS 14 9.764 -15.007 6.824 110 HZ3 LYS 14 2HZ LYS 14 10.743 -14.059 5.877 111 H ALA 15 H ALA 15 5.297 -10.145 2.081 112 HA ALA 15 HA ALA 15 3.421 -10.953 3.882 113 HB1 ALA 15 1HB ALA 15 2.863 -8.350 2.441 114 HB2 ALA 15 2HB ALA 15 2.820 -8.733 4.193 115 HB3 ALA 15 3HB ALA 15 4.367 -8.535 3.361 116 H MET 16 H MET 16 2.989 -10.649 0.438 117 HA MET 16 HA MET 16 0.134 -10.812 0.425 118 HB2 MET 16 1HB MET 16 1.894 -10.212 -1.514 119 HB3 MET 16 2HB MET 16 1.726 -11.925 -1.884 120 HG2 MET 16 1HG MET 16 -0.572 -9.945 -1.529 121 HG3 MET 16 2HG MET 16 0.081 -10.415 -3.084 122 HE1 MET 16 3HE MET 16 -2.759 -10.659 -1.001 123 HE2 MET 16 1HE MET 16 -3.071 -10.720 -2.757 124 HE3 MET 16 2HE MET 16 -3.637 -12.040 -1.673 125 H ASP 17 H ASP 17 2.750 -13.266 0.415 126 HA ASP 17 HA ASP 17 1.096 -15.640 0.227 127 HB2 ASP 17 1HB ASP 17 3.609 -15.646 0.014 128 HB3 ASP 17 2HB ASP 17 3.745 -15.287 1.723 129 H GLN 18 H GLN 18 2.489 -13.978 3.110 130 HA GLN 18 HA GLN 18 1.225 -15.427 5.075 131 HB2 GLN 18 1HB GLN 18 1.628 -12.412 5.095 132 HB3 GLN 18 2HB GLN 18 1.407 -13.448 6.508 133 HG2 GLN 18 1HG GLN 18 3.793 -13.537 4.610 134 HG3 GLN 18 2HG GLN 18 3.712 -12.762 6.169 135 HE21 GLN 18 2HE2 GLN 18 5.093 -15.444 4.770 136 HE22 GLN 18 1HE2 GLN 18 4.855 -16.531 6.105 137 H CYS 19 H CYS 19 -0.282 -12.804 3.132 138 HA CYS 19 HA CYS 19 -2.688 -12.893 4.829 139 HB2 CYS 19 1HB CYS 19 -1.955 -11.222 2.412 140 HB3 CYS 19 2HB CYS 19 -3.430 -11.037 3.383 141 H LYS 20 H LYS 20 -1.671 -13.993 1.565 142 HA LYS 20 HA LYS 20 -4.239 -15.026 0.798 143 HB2 LYS 20 1HB LYS 20 -2.210 -14.540 -0.696 144 HB3 LYS 20 2HB LYS 20 -1.494 -16.024 -0.073 145 HG2 LYS 20 1HG LYS 20 -3.605 -17.216 -0.922 146 HG3 LYS 20 2HG LYS 20 -4.076 -15.688 -1.599 147 HD2 LYS 20 1HD LYS 20 -3.069 -16.694 -3.430 148 HD3 LYS 20 2HD LYS 20 -1.653 -15.863 -2.757 149 HE2 LYS 20 1HE LYS 20 -1.057 -17.993 -1.556 150 HE3 LYS 20 2HE LYS 20 -2.514 -18.750 -2.224 151 HZ1 LYS 20 3HZ LYS 20 -0.131 -17.859 -3.720 152 HZ2 LYS 20 1HZ LYS 20 -0.738 -19.376 -3.606 153 HZ3 LYS 20 2HZ LYS 20 -1.535 -18.225 -4.474 154 H ASP 21 H ASP 21 -2.107 -15.928 3.233 155 HA ASP 21 HA ASP 21 -2.778 -18.784 3.198 156 HB2 ASP 21 1HB ASP 21 -0.421 -18.077 2.993 157 HB3 ASP 21 2HB ASP 21 -0.549 -17.150 4.490 158 H GLU 22 H GLU 22 -2.196 -16.177 5.608 159 HA GLU 22 HA GLU 22 -3.585 -17.483 7.742 160 HB2 GLU 22 1HB GLU 22 -2.965 -14.532 7.210 161 HB3 GLU 22 2HB GLU 22 -3.692 -15.148 8.690 162 HG2 GLU 22 1HG GLU 22 -1.745 -16.734 8.892 163 HG3 GLU 22 2HG GLU 22 -0.914 -15.827 7.641 164 H LEU 23 H LEU 23 -4.602 -15.405 5.068 165 HA LEU 23 HA LEU 23 -7.400 -15.457 6.185 166 HG LEU 23 HG LEU 23 -5.172 -12.912 5.809 167 HB2 LEU 23 1HB LEU 23 -6.469 -13.759 3.893 168 HB3 LEU 23 2HB LEU 23 -7.930 -13.665 4.783 169 HD11 LEU 23 1HD1 LEU 23 -7.654 -11.270 5.144 170 HD12 LEU 23 2HD1 LEU 23 -6.164 -10.626 5.851 171 HD13 LEU 23 3HD1 LEU 23 -6.133 -11.316 4.218 172 HD21 LEU 23 3HD2 LEU 23 -6.341 -12.066 7.833 173 HD22 LEU 23 1HD2 LEU 23 -7.857 -12.789 7.253 174 HD23 LEU 23 2HD2 LEU 23 -6.484 -13.818 7.686 175 H SER 24 H SER 24 -5.502 -17.025 3.744 176 HA SER 24 HA SER 24 -6.102 -18.400 2.037 177 HG SER 24 HG SER 24 -8.806 -19.468 1.420 178 HB2 SER 24 1HB SER 24 -7.346 -19.471 3.838 179 HB3 SER 24 2HB SER 24 -8.781 -18.514 3.449 180 H LEU 25 H LEU 25 -6.051 -15.693 1.349 181 HA LEU 25 HA LEU 25 -8.515 -14.801 0.155 182 HG LEU 25 HG LEU 25 -5.912 -12.862 1.604 183 HB2 LEU 25 1HB LEU 25 -5.671 -13.838 -0.459 184 HB3 LEU 25 2HB LEU 25 -7.130 -13.102 -1.059 185 HD11 LEU 25 1HD1 LEU 25 -6.808 -10.651 1.354 186 HD12 LEU 25 2HD1 LEU 25 -6.060 -11.171 -0.192 187 HD13 LEU 25 3HD1 LEU 25 -7.815 -11.137 -0.021 188 HD21 LEU 25 3HD2 LEU 25 -8.121 -13.917 2.318 189 HD22 LEU 25 1HD2 LEU 25 -8.105 -12.187 2.669 190 HD23 LEU 25 2HD2 LEU 25 -8.977 -12.805 1.252 191 HA PRO 26 HA PRO 26 -8.438 -17.371 -3.328 192 HB2 PRO 26 1HB PRO 26 -10.158 -16.024 -5.072 193 HB3 PRO 26 2HB PRO 26 -10.647 -17.052 -3.713 194 HG2 PRO 26 1HG PRO 26 -10.506 -14.085 -3.856 195 HG3 PRO 26 2HG PRO 26 -11.662 -15.120 -2.960 196 HD2 PRO 26 1HD PRO 26 -9.506 -13.776 -1.837 197 HD3 PRO 26 2HD PRO 26 -10.251 -15.237 -1.154 198 H ASP 27 H ASP 27 -7.707 -17.604 -5.477 199 HA ASP 27 HA ASP 27 -5.418 -16.134 -6.170 200 HB2 ASP 27 1HB ASP 27 -6.066 -18.485 -6.800 201 HB3 ASP 27 2HB ASP 27 -7.136 -17.811 -8.013 202 H SER 28 H SER 28 -8.751 -15.525 -7.042 203 HA SER 28 HA SER 28 -8.365 -13.783 -9.297 204 HG SER 28 HG SER 28 -11.627 -14.801 -7.176 205 HB2 SER 28 1HB SER 28 -10.718 -13.089 -8.685 206 HB3 SER 28 2HB SER 28 -10.521 -14.821 -8.998 207 H VAL 29 H VAL 29 -9.049 -13.352 -5.820 208 HA VAL 29 HA VAL 29 -8.775 -10.504 -5.859 209 HB VAL 29 HB VAL 29 -8.764 -12.577 -3.618 210 HG11 VAL 29 1HG1 VAL 29 -7.435 -10.703 -2.762 211 HG12 VAL 29 2HG1 VAL 29 -8.649 -9.552 -3.360 212 HG13 VAL 29 3HG1 VAL 29 -9.049 -10.680 -2.043 213 HG21 VAL 29 3HG2 VAL 29 -10.993 -11.657 -3.198 214 HG22 VAL 29 1HG2 VAL 29 -10.748 -10.395 -4.432 215 HG23 VAL 29 2HG2 VAL 29 -10.894 -12.089 -4.908 216 H VAL 30 H VAL 30 -6.426 -13.113 -5.159 217 HA VAL 30 HA VAL 30 -4.193 -11.461 -4.507 218 HB VAL 30 HB VAL 30 -4.507 -14.221 -5.728 219 HG11 VAL 30 1HG1 VAL 30 -1.928 -12.967 -4.746 220 HG12 VAL 30 2HG1 VAL 30 -2.164 -14.709 -5.012 221 HG13 VAL 30 3HG1 VAL 30 -2.281 -13.589 -6.367 222 HG21 VAL 30 3HG2 VAL 30 -4.617 -15.078 -3.666 223 HG22 VAL 30 1HG2 VAL 30 -3.465 -13.922 -2.958 224 HG23 VAL 30 2HG2 VAL 30 -5.167 -13.483 -3.185 225 H ALA 31 H ALA 31 -5.190 -12.933 -7.694 226 HA ALA 31 HA ALA 31 -3.018 -11.748 -9.127 227 HB1 ALA 31 1HB ALA 31 -4.366 -12.257 -11.143 228 HB2 ALA 31 2HB ALA 31 -4.302 -13.643 -10.031 229 HB3 ALA 31 3HB ALA 31 -5.766 -12.624 -10.114 230 H ASP 32 H ASP 32 -6.359 -10.683 -8.421 231 HA ASP 32 HA ASP 32 -6.046 -8.255 -9.948 232 HB2 ASP 32 1HB ASP 32 -8.131 -9.267 -8.035 233 HB3 ASP 32 2HB ASP 32 -8.073 -7.571 -8.428 234 H LEU 33 H LEU 33 -5.107 -9.004 -6.654 235 HA LEU 33 HA LEU 33 -4.678 -6.244 -5.874 236 HG LEU 33 HG LEU 33 -4.871 -6.264 -3.806 237 HB2 LEU 33 1HB LEU 33 -4.048 -8.932 -4.786 238 HB3 LEU 33 2HB LEU 33 -2.685 -7.857 -4.652 239 HD11 LEU 33 1HD1 LEU 33 -5.861 -7.553 -2.011 240 HD12 LEU 33 2HD1 LEU 33 -6.315 -8.159 -3.608 241 HD13 LEU 33 3HD1 LEU 33 -5.112 -9.045 -2.633 242 HD21 LEU 33 3HD2 LEU 33 -3.803 -6.402 -1.623 243 HD22 LEU 33 1HD2 LEU 33 -2.857 -7.826 -2.157 244 HD23 LEU 33 2HD2 LEU 33 -2.600 -6.226 -2.904 245 H TYR 34 H TYR 34 -2.674 -8.754 -7.444 246 HA TYR 34 HA TYR 34 -0.403 -7.049 -7.912 247 HD1 TYR 34 HD2 TYR 34 -0.996 -9.946 -6.484 248 HD2 TYR 34 HD1 TYR 34 1.996 -9.414 -9.544 249 HE1 TYR 34 HE2 TYR 34 0.629 -11.068 -5.055 250 HE2 TYR 34 HE1 TYR 34 3.670 -10.503 -8.105 251 HH TYR 34 HH TYR 34 2.822 -12.075 -5.085 252 HB2 TYR 34 1HB TYR 34 -1.439 -9.566 -9.219 253 HB3 TYR 34 2HB TYR 34 -0.147 -8.651 -9.965 254 H ASN 35 H ASN 35 -3.501 -7.496 -9.702 255 HA ASN 35 HA ASN 35 -2.707 -5.839 -11.904 256 HB2 ASN 35 1HB ASN 35 -5.523 -6.452 -10.993 257 HB3 ASN 35 2HB ASN 35 -5.085 -5.607 -12.461 258 HD21 ASN 35 2HD2 ASN 35 -6.319 -8.480 -11.831 259 HD22 ASN 35 1HD2 ASN 35 -5.416 -9.496 -12.884 260 H PHE 36 H PHE 36 -4.054 -5.070 -8.713 261 HA PHE 36 HA PHE 36 -4.996 -2.549 -9.346 262 HD1 PHE 36 HD2 PHE 36 -7.044 -1.888 -7.882 263 HD2 PHE 36 HD1 PHE 36 -3.513 -1.418 -5.471 264 HE1 PHE 36 HE2 PHE 36 -7.951 0.234 -6.927 265 HE2 PHE 36 HE1 PHE 36 -4.467 0.625 -4.451 266 HZ PHE 36 HZ PHE 36 -6.733 1.356 -5.048 267 HB2 PHE 36 1HB PHE 36 -5.370 -3.917 -7.192 268 HB3 PHE 36 2HB PHE 36 -3.781 -3.398 -6.694 269 H TRP 37 H TRP 37 -1.663 -3.327 -8.317 270 HA TRP 37 HA TRP 37 -0.944 -0.491 -8.868 271 HD1 TRP 37 HD1 TRP 37 -0.046 -4.321 -6.711 272 HE1 TRP 37 HE1 TRP 37 -1.283 -4.510 -4.468 273 HE3 TRP 37 HE3 TRP 37 -0.754 0.648 -5.765 274 HZ2 TRP 37 HZ2 TRP 37 -2.325 -2.720 -2.442 275 HZ3 TRP 37 HZ3 TRP 37 -1.933 1.373 -3.694 276 HH2 TRP 37 HH2 TRP 37 -2.715 -0.279 -2.040 277 HB2 TRP 37 1HB TRP 37 1.170 -2.334 -7.945 278 HB3 TRP 37 2HB TRP 37 0.797 -0.703 -7.478 279 H LYS 38 H LYS 38 -1.527 -2.905 -10.889 280 HA LYS 38 HA LYS 38 1.089 -3.078 -12.279 281 HB2 LYS 38 1HB LYS 38 -1.573 -4.315 -12.665 282 HB3 LYS 38 2HB LYS 38 -0.715 -3.925 -14.125 283 HG2 LYS 38 1HG LYS 38 1.270 -5.197 -13.390 284 HG3 LYS 38 2HG LYS 38 0.474 -5.622 -11.886 285 HD2 LYS 38 1HD LYS 38 -1.317 -6.755 -13.196 286 HD3 LYS 38 2HD LYS 38 -0.477 -6.370 -14.694 287 HE2 LYS 38 1HE LYS 38 0.685 -8.079 -12.431 288 HE3 LYS 38 2HE LYS 38 -0.214 -8.722 -13.807 289 HZ1 LYS 38 3HZ LYS 38 2.421 -7.418 -13.892 290 HZ2 LYS 38 1HZ LYS 38 2.003 -8.914 -14.368 291 HZ3 LYS 38 2HZ LYS 38 1.502 -7.650 -15.251 292 H ASP 39 H ASP 39 -2.143 -1.778 -13.256 293 HA ASP 39 HA ASP 39 -0.661 0.442 -14.585 294 HB2 ASP 39 1HB ASP 39 -0.950 -1.627 -16.055 295 HB3 ASP 39 2HB ASP 39 -2.665 -1.235 -16.095 296 H ASP 40 H ASP 40 -4.205 -0.563 -14.772 297 HA ASP 40 HA ASP 40 -4.852 1.426 -12.844 298 HB2 ASP 40 1HB ASP 40 -4.479 2.688 -15.216 299 HB3 ASP 40 2HB ASP 40 -6.187 2.292 -15.366 300 H TYR 41 H TYR 41 -5.749 -0.336 -11.910 301 HA TYR 41 HA TYR 41 -8.288 -1.388 -13.067 302 HD1 TYR 41 HD2 TYR 41 -6.858 -3.214 -9.688 303 HD2 TYR 41 HD1 TYR 41 -8.539 -4.812 -13.283 304 HE1 TYR 41 HE2 TYR 41 -8.260 -4.674 -8.308 305 HE2 TYR 41 HE1 TYR 41 -9.931 -6.384 -11.916 306 HH TYR 41 HH TYR 41 -10.205 -7.264 -9.646 307 HB2 TYR 41 1HB TYR 41 -6.742 -3.172 -13.374 308 HB3 TYR 41 2HB TYR 41 -5.868 -2.787 -11.899 309 H VAL 42 H VAL 42 -9.922 -1.804 -11.462 310 HA VAL 42 HA VAL 42 -9.378 -0.676 -8.749 311 HB VAL 42 HB VAL 42 -11.524 -0.085 -10.725 312 HG11 VAL 42 1HG1 VAL 42 -12.053 -0.241 -7.733 313 HG12 VAL 42 2HG1 VAL 42 -13.025 0.715 -8.882 314 HG13 VAL 42 3HG1 VAL 42 -12.950 -1.038 -9.022 315 HG21 VAL 42 3HG2 VAL 42 -11.244 2.143 -9.627 316 HG22 VAL 42 1HG2 VAL 42 -10.031 1.443 -8.548 317 HG23 VAL 42 2HG2 VAL 42 -9.743 1.490 -10.298 318 H MET 43 H MET 43 -9.836 -1.791 -7.100 319 HA MET 43 HA MET 43 -10.531 -4.649 -7.277 320 HB2 MET 43 1HB MET 43 -10.060 -2.782 -4.910 321 HB3 MET 43 2HB MET 43 -10.286 -4.525 -4.785 322 HG2 MET 43 1HG MET 43 -8.224 -4.970 -5.930 323 HG3 MET 43 2HG MET 43 -8.025 -3.284 -6.379 324 HE1 MET 43 3HE MET 43 -8.471 -1.882 -2.943 325 HE2 MET 43 1HE MET 43 -6.813 -1.439 -3.364 326 HE3 MET 43 2HE MET 43 -8.083 -1.416 -4.610 327 H THR 44 H THR 44 -12.492 -5.543 -6.545 328 HA THR 44 HA THR 44 -14.603 -3.628 -5.668 329 HB THR 44 HB THR 44 -16.169 -4.967 -7.103 330 HG1 THR 44 1HG THR 44 -14.008 -5.737 -8.678 331 HG21 THR 44 3HG2 THR 44 -15.231 -2.749 -7.847 332 HG22 THR 44 1HG2 THR 44 -13.934 -3.600 -8.685 333 HG23 THR 44 2HG2 THR 44 -15.620 -3.840 -9.188 334 H ASP 45 H ASP 45 -13.174 -6.901 -5.432 335 HA ASP 45 HA ASP 45 -15.178 -7.870 -3.574 336 HB2 ASP 45 1HB ASP 45 -13.310 -9.226 -4.847 337 HB3 ASP 45 2HB ASP 45 -12.306 -8.828 -3.478 338 H ARG 46 H ARG 46 -15.180 -7.688 -1.425 339 HA ARG 46 HA ARG 46 -13.643 -5.569 -0.157 340 HE ARG 46 HE ARG 46 -16.768 -10.114 2.182 341 HB2 ARG 46 1HB ARG 46 -14.616 -6.123 1.920 342 HB3 ARG 46 2HB ARG 46 -15.879 -6.095 0.698 343 HG2 ARG 46 1HG ARG 46 -14.620 -8.658 1.803 344 HG3 ARG 46 2HG ARG 46 -16.028 -7.853 2.484 345 HD2 ARG 46 1HD ARG 46 -17.135 -8.059 0.189 346 HD3 ARG 46 2HD ARG 46 -15.839 -9.184 -0.230 347 HH11 ARG 46 2HH2 ARG 46 -18.261 -9.650 -1.022 348 HH12 ARG 46 1HH2 ARG 46 -19.738 -10.441 -0.612 349 HH21 ARG 46 2HH1 ARG 46 -18.598 -11.478 2.603 350 HH22 ARG 46 1HH1 ARG 46 -19.886 -11.543 1.451 351 H LEU 47 H LEU 47 -13.155 -9.078 -0.518 352 HA LEU 47 HA LEU 47 -11.190 -9.383 1.511 353 HG LEU 47 HG LEU 47 -13.276 -11.434 0.562 354 HB2 LEU 47 1HB LEU 47 -11.599 -10.794 -1.141 355 HB3 LEU 47 2HB LEU 47 -10.298 -11.207 -0.034 356 HD11 LEU 47 1HD1 LEU 47 -12.312 -13.123 -0.984 357 HD12 LEU 47 2HD1 LEU 47 -11.064 -13.513 0.224 358 HD13 LEU 47 3HD1 LEU 47 -12.765 -13.846 0.575 359 HD21 LEU 47 3HD2 LEU 47 -12.435 -12.681 2.630 360 HD22 LEU 47 1HD2 LEU 47 -10.843 -11.971 2.324 361 HD23 LEU 47 2HD2 LEU 47 -12.237 -10.926 2.683 362 H ALA 48 H ALA 48 -10.851 -7.895 -1.747 363 HA ALA 48 HA ALA 48 -8.043 -7.960 -1.887 364 HB1 ALA 48 1HB ALA 48 -8.282 -6.131 -3.390 365 HB2 ALA 48 2HB ALA 48 -9.708 -7.146 -3.630 366 HB3 ALA 48 3HB ALA 48 -9.849 -5.641 -2.697 367 H GLY 49 H GLY 49 -10.188 -5.651 -0.181 368 HA2 GLY 49 1HA GLY 49 -7.945 -4.085 0.805 369 HA3 GLY 49 2HA GLY 49 -9.629 -3.909 1.285 370 H CYS 50 H CYS 50 -9.539 -7.016 1.875 371 HA CYS 50 HA CYS 50 -8.628 -6.832 4.629 372 HB2 CYS 50 1HB CYS 50 -9.209 -9.338 2.995 373 HB3 CYS 50 2HB CYS 50 -8.963 -9.247 4.710 374 H ALA 51 H ALA 51 -7.328 -8.212 1.572 375 HA ALA 51 HA ALA 51 -4.898 -9.188 2.630 376 HB1 ALA 51 1HB ALA 51 -6.036 -8.850 0.021 377 HB2 ALA 51 2HB ALA 51 -4.459 -8.031 0.002 378 HB3 ALA 51 3HB ALA 51 -4.579 -9.737 0.474 379 H ILE 52 H ILE 52 -5.696 -5.920 1.337 380 HA ILE 52 HA ILE 52 -3.176 -4.774 1.869 381 HB ILE 52 HB ILE 52 -5.898 -3.418 1.868 382 HG12 ILE 52 1HG1 ILE 52 -3.853 -3.741 -0.398 383 HG13 ILE 52 2HG1 ILE 52 -5.383 -4.592 -0.296 384 HG21 ILE 52 1HG2 ILE 52 -4.664 -1.330 1.486 385 HG22 ILE 52 2HG2 ILE 52 -3.996 -2.096 2.909 386 HG23 ILE 52 3HG2 ILE 52 -3.120 -2.208 1.382 387 HD11 ILE 52 3HD1 ILE 52 -6.608 -2.398 -0.446 388 HD12 ILE 52 1HD1 ILE 52 -5.048 -1.586 -0.721 389 HD13 ILE 52 2HD1 ILE 52 -5.625 -2.775 -1.869 390 H ASN 53 H ASN 53 -6.107 -4.720 4.131 391 HA ASN 53 HA ASN 53 -4.555 -3.389 6.115 392 HB2 ASN 53 1HB ASN 53 -6.259 -3.706 7.661 393 HB3 ASN 53 2HB ASN 53 -7.040 -3.453 6.110 394 HD21 ASN 53 2HD2 ASN 53 -8.953 -4.531 6.394 395 HD22 ASN 53 1HD2 ASN 53 -9.096 -6.214 6.890 396 H CYS 54 H CYS 54 -4.652 -6.804 5.326 397 HA CYS 54 HA CYS 54 -3.385 -7.692 7.758 398 HB2 CYS 54 1HB CYS 54 -4.627 -9.231 6.556 399 HB3 CYS 54 2HB CYS 54 -3.867 -8.852 5.014 400 H LEU 55 H LEU 55 -2.139 -6.723 4.517 401 HA LEU 55 HA LEU 55 0.649 -7.048 4.975 402 HG LEU 55 HG LEU 55 1.207 -6.503 2.054 403 HB2 LEU 55 1HB LEU 55 -1.012 -5.117 3.333 404 HB3 LEU 55 2HB LEU 55 0.701 -4.900 3.452 405 HD11 LEU 55 1HD1 LEU 55 -1.245 -8.174 2.572 406 HD12 LEU 55 2HD1 LEU 55 0.097 -8.550 1.477 407 HD13 LEU 55 3HD1 LEU 55 0.383 -8.472 3.217 408 HD21 LEU 55 3HD2 LEU 55 -1.647 -6.120 1.137 409 HD22 LEU 55 1HD2 LEU 55 -0.337 -4.933 0.909 410 HD23 LEU 55 2HD2 LEU 55 -0.249 -6.522 0.134 411 H ALA 56 H ALA 56 -1.586 -4.602 6.114 412 HA ALA 56 HA ALA 56 0.388 -2.577 6.852 413 HB1 ALA 56 1HB ALA 56 -2.573 -2.757 7.615 414 HB2 ALA 56 2HB ALA 56 -1.553 -1.323 7.595 415 HB3 ALA 56 3HB ALA 56 -2.007 -2.098 6.066 416 H THR 57 H THR 57 -0.818 -5.448 8.404 417 HA THR 57 HA THR 57 0.465 -4.492 10.902 418 HB THR 57 HB THR 57 -1.905 -5.043 11.205 419 HG1 THR 57 1HG THR 57 -1.502 -6.240 13.064 420 HG21 THR 57 3HG2 THR 57 -0.975 -7.799 10.353 421 HG22 THR 57 1HG2 THR 57 -2.405 -7.533 11.358 422 HG23 THR 57 2HG2 THR 57 -2.320 -6.835 9.721 423 H LYS 58 H LYS 58 1.570 -5.700 8.063 424 HA LYS 58 HA LYS 58 3.378 -7.532 9.482 425 HB2 LYS 58 1HB LYS 58 1.948 -7.907 6.805 426 HB3 LYS 58 2HB LYS 58 3.369 -8.818 7.352 427 HG2 LYS 58 1HG LYS 58 2.257 -9.646 9.280 428 HG3 LYS 58 2HG LYS 58 0.767 -8.767 8.851 429 HD2 LYS 58 1HD LYS 58 0.477 -10.053 6.830 430 HD3 LYS 58 2HD LYS 58 2.038 -10.860 7.061 431 HE2 LYS 58 1HE LYS 58 0.102 -12.290 7.707 432 HE3 LYS 58 2HE LYS 58 1.267 -12.033 9.005 433 HZ1 LYS 58 3HZ LYS 58 -1.303 -10.589 8.771 434 HZ2 LYS 58 1HZ LYS 58 -1.007 -11.914 9.671 435 HZ3 LYS 58 2HZ LYS 58 -0.213 -10.533 10.052 436 H LEU 59 H LEU 59 3.668 -4.748 9.320 437 HA LEU 59 HA LEU 59 5.115 -3.987 6.959 438 HG LEU 59 HG LEU 59 4.280 -0.890 8.595 439 HB2 LEU 59 1HB LEU 59 5.553 -2.860 9.744 440 HB3 LEU 59 2HB LEU 59 6.032 -2.177 8.196 441 HD11 LEU 59 1HD1 LEU 59 3.650 -1.980 6.493 442 HD12 LEU 59 2HD1 LEU 59 2.644 -3.131 7.412 443 HD13 LEU 59 3HD1 LEU 59 2.273 -1.405 7.420 444 HD21 LEU 59 3HD2 LEU 59 2.657 -2.939 10.035 445 HD22 LEU 59 1HD2 LEU 59 3.739 -1.732 10.775 446 HD23 LEU 59 2HD2 LEU 59 2.340 -1.179 9.841 447 H ASP 60 H ASP 60 5.763 -6.073 9.552 448 HA ASP 60 HA ASP 60 8.680 -5.941 9.625 449 HB2 ASP 60 1HB ASP 60 8.231 -7.987 11.146 450 HB3 ASP 60 2HB ASP 60 7.444 -6.498 11.676 451 H VAL 61 H VAL 61 6.282 -7.432 7.646 452 HA VAL 61 HA VAL 61 8.136 -9.620 6.902 453 HB VAL 61 HB VAL 61 5.450 -9.650 7.590 454 HG11 VAL 61 1HG1 VAL 61 4.711 -8.606 5.621 455 HG12 VAL 61 2HG1 VAL 61 5.477 -9.888 4.644 456 HG13 VAL 61 3HG1 VAL 61 4.141 -10.273 5.768 457 HG21 VAL 61 3HG2 VAL 61 6.476 -11.655 5.567 458 HG22 VAL 61 1HG2 VAL 61 7.194 -11.628 7.208 459 HG23 VAL 61 2HG2 VAL 61 5.481 -11.947 7.014 460 H VAL 62 H VAL 62 6.066 -6.941 5.607 461 HA VAL 62 HA VAL 62 7.385 -7.208 3.013 462 HB VAL 62 HB VAL 62 5.335 -6.306 3.158 463 HG11 VAL 62 1HG1 VAL 62 6.184 -4.154 4.962 464 HG12 VAL 62 2HG1 VAL 62 4.716 -4.053 3.936 465 HG13 VAL 62 3HG1 VAL 62 4.869 -5.366 5.086 466 HG21 VAL 62 3HG2 VAL 62 7.056 -3.912 2.428 467 HG22 VAL 62 1HG2 VAL 62 6.868 -5.325 1.375 468 HG23 VAL 62 2HG2 VAL 62 5.483 -4.269 1.730 469 H ASP 63 H ASP 63 7.926 -5.368 5.801 470 HA ASP 63 HA ASP 63 10.711 -4.779 4.799 471 HB2 ASP 63 1HB ASP 63 9.226 -2.792 4.511 472 HB3 ASP 63 2HB ASP 63 9.208 -2.645 6.274 473 HA PRO 64 HA PRO 64 11.390 -6.460 9.033 474 HB2 PRO 64 1HB PRO 64 13.265 -8.338 8.309 475 HB3 PRO 64 2HB PRO 64 11.516 -8.679 8.330 476 HG2 PRO 64 1HG PRO 64 13.265 -7.922 5.998 477 HG3 PRO 64 2HG PRO 64 11.999 -9.193 6.064 478 HD2 PRO 64 1HD PRO 64 11.589 -6.722 4.962 479 HD3 PRO 64 2HD PRO 64 10.289 -7.627 5.784 480 H ASP 65 H ASP 65 13.031 -4.854 6.456 481 HA ASP 65 HA ASP 65 15.664 -4.577 7.556 482 HB2 ASP 65 1HB ASP 65 14.011 -2.847 5.694 483 HB3 ASP 65 2HB ASP 65 15.644 -2.429 6.213 484 H GLY 66 H GLY 66 12.540 -2.967 8.213 485 HA2 GLY 66 1HA GLY 66 12.102 -2.383 10.441 486 HA3 GLY 66 2HA GLY 66 13.794 -1.948 10.702 487 H ASN 67 H ASN 67 11.870 -0.849 7.853 488 HA ASN 67 HA ASN 67 12.253 1.896 8.841 489 HB2 ASN 67 1HB ASN 67 11.817 1.145 5.957 490 HB3 ASN 67 2HB ASN 67 12.397 2.666 6.646 491 HD21 ASN 67 2HD2 ASN 67 13.173 -0.723 6.076 492 HD22 ASN 67 1HD2 ASN 67 14.917 -0.570 6.307 493 H LEU 68 H LEU 68 9.971 -0.244 7.084 494 HA LEU 68 HA LEU 68 7.757 1.655 7.181 495 HG LEU 68 HG LEU 68 5.378 -0.684 6.805 496 HB2 LEU 68 1HB LEU 68 8.049 -0.397 5.605 497 HB3 LEU 68 2HB LEU 68 7.553 -1.362 6.915 498 HD11 LEU 68 1HD1 LEU 68 5.423 1.733 6.894 499 HD12 LEU 68 2HD1 LEU 68 5.885 1.786 5.164 500 HD13 LEU 68 3HD1 LEU 68 4.317 1.090 5.676 501 HD21 LEU 68 3HD2 LEU 68 6.259 -0.347 3.936 502 HD22 LEU 68 1HD2 LEU 68 6.095 -1.901 4.777 503 HD23 LEU 68 2HD2 LEU 68 4.663 -0.885 4.513 504 H HIS 69 H HIS 69 6.550 2.135 8.896 505 HA HIS 69 HA HIS 69 5.897 0.139 10.894 506 HD1 HIS 69 HD1 HIS 69 8.278 -0.692 12.508 507 HD2 HIS 69 HD2 HIS 69 9.361 3.208 11.262 508 HE1 HIS 69 HE1 HIS 69 10.843 -0.659 12.260 509 HE2 HIS 69 HE2 HIS 69 11.485 1.661 11.464 510 HB2 HIS 69 1HB HIS 69 6.827 2.858 11.911 511 HB3 HIS 69 2HB HIS 69 6.422 1.456 12.845 512 H HIS 70 H HIS 70 4.000 0.909 12.140 513 HA HIS 70 HA HIS 70 2.127 2.175 10.475 514 HD1 HIS 70 HD1 HIS 70 2.421 -0.591 14.008 515 HD2 HIS 70 HD2 HIS 70 2.039 3.561 14.701 516 HE1 HIS 70 HE1 HIS 70 2.903 -0.207 16.518 517 HE2 HIS 70 HE2 HIS 70 2.535 2.312 16.938 518 HB2 HIS 70 1HB HIS 70 0.670 2.233 12.505 519 HB3 HIS 70 2HB HIS 70 1.387 0.687 12.115 520 H GLY 71 H GLY 71 1.245 4.126 10.307 521 HA2 GLY 71 1HA GLY 71 1.312 6.363 9.967 522 HA3 GLY 71 2HA GLY 71 1.776 6.500 11.662 523 H ASN 72 H ASN 72 3.886 4.727 9.401 524 HA ASN 72 HA ASN 72 5.786 6.981 9.220 525 HB2 ASN 72 1HB ASN 72 5.909 5.511 11.482 526 HB3 ASN 72 2HB ASN 72 6.720 4.374 10.437 527 HD21 ASN 72 2HD2 ASN 72 8.833 4.937 9.533 528 HD22 ASN 72 1HD2 ASN 72 9.696 6.324 10.256 529 H ALA 73 H ALA 73 4.545 6.029 7.021 530 HA ALA 73 HA ALA 73 6.271 4.102 5.654 531 HB1 ALA 73 1HB ALA 73 5.180 4.849 3.650 532 HB2 ALA 73 2HB ALA 73 3.938 4.660 4.904 533 HB3 ALA 73 3HB ALA 73 4.515 6.276 4.458 534 H LYS 74 H LYS 74 6.737 7.156 7.006 535 HA LYS 74 HA LYS 74 8.029 8.685 5.083 536 HB2 LYS 74 1HB LYS 74 7.149 9.153 7.560 537 HB3 LYS 74 2HB LYS 74 8.774 8.718 8.037 538 HG2 LYS 74 1HG LYS 74 9.516 10.783 7.510 539 HG3 LYS 74 2HG LYS 74 9.068 10.525 5.837 540 HD2 LYS 74 1HD LYS 74 7.714 12.313 6.206 541 HD3 LYS 74 2HD LYS 74 6.590 11.109 6.838 542 HE2 LYS 74 1HE LYS 74 8.629 12.700 8.471 543 HE3 LYS 74 2HE LYS 74 6.917 13.113 8.278 544 HZ1 LYS 74 3HZ LYS 74 8.013 10.812 9.735 545 HZ2 LYS 74 1HZ LYS 74 7.038 12.035 10.268 546 HZ3 LYS 74 2HZ LYS 74 6.410 10.909 9.297 547 H ASP 75 H ASP 75 9.545 6.734 7.695 548 HA ASP 75 HA ASP 75 12.182 6.915 6.672 549 HB2 ASP 75 1HB ASP 75 11.366 6.161 8.966 550 HB3 ASP 75 2HB ASP 75 11.009 4.599 8.245 551 H PHE 76 H PHE 76 9.457 4.813 5.875 552 HA PHE 76 HA PHE 76 11.095 2.818 4.460 553 HD1 PHE 76 HD1 PHE 76 10.223 0.289 4.271 554 HD2 PHE 76 HD2 PHE 76 7.327 2.776 2.226 555 HE1 PHE 76 HE1 PHE 76 9.981 -1.422 2.506 556 HE2 PHE 76 HE2 PHE 76 7.127 1.084 0.481 557 HZ PHE 76 HZ PHE 76 8.417 -1.016 0.593 558 HB2 PHE 76 1HB PHE 76 8.937 2.230 5.431 559 HB3 PHE 76 2HB PHE 76 8.102 3.385 4.412 560 H ALA 77 H ALA 77 9.533 5.834 3.659 561 HA ALA 77 HA ALA 77 9.839 5.650 0.793 562 HB1 ALA 77 1HB ALA 77 8.928 7.916 0.888 563 HB2 ALA 77 2HB ALA 77 8.047 6.952 2.045 564 HB3 ALA 77 3HB ALA 77 9.310 8.076 2.591 565 H MET 78 H MET 78 11.599 7.197 3.492 566 HA MET 78 HA MET 78 13.538 8.548 1.937 567 HB2 MET 78 1HB MET 78 14.025 7.332 4.682 568 HB3 MET 78 2HB MET 78 14.898 8.657 3.906 569 HG2 MET 78 1HG MET 78 12.204 9.474 3.819 570 HG3 MET 78 2HG MET 78 12.364 8.657 5.359 571 HE1 MET 78 3HE MET 78 11.439 10.530 6.380 572 HE2 MET 78 1HE MET 78 12.060 12.189 6.425 573 HE3 MET 78 2HE MET 78 11.386 11.529 4.905 574 H LYS 79 H LYS 79 13.527 5.219 3.300 575 HA LYS 79 HA LYS 79 16.069 4.602 2.140 576 HB2 LYS 79 1HB LYS 79 14.330 3.432 4.087 577 HB3 LYS 79 2HB LYS 79 14.587 2.174 2.896 578 HG2 LYS 79 1HG LYS 79 16.790 3.852 4.127 579 HG3 LYS 79 2HG LYS 79 16.221 2.336 4.830 580 HD2 LYS 79 1HD LYS 79 18.145 1.679 3.725 581 HD3 LYS 79 2HD LYS 79 16.869 1.228 2.580 582 HE2 LYS 79 1HE LYS 79 17.285 3.267 1.283 583 HE3 LYS 79 2HE LYS 79 18.431 3.852 2.494 584 HZ1 LYS 79 3HZ LYS 79 19.944 2.156 1.846 585 HZ2 LYS 79 1HZ LYS 79 18.845 1.428 0.847 586 HZ3 LYS 79 2HZ LYS 79 19.405 2.910 0.490 587 H HIS 80 H HIS 80 13.722 5.283 0.348 588 HA HIS 80 HA HIS 80 14.195 3.136 -1.675 589 HD1 HIS 80 HD1 HIS 80 12.241 1.001 -2.926 590 HD2 HIS 80 HD2 HIS 80 12.246 1.576 1.281 591 HE1 HIS 80 HE1 HIS 80 12.590 -1.320 -1.832 592 HE2 HIS 80 HE2 HIS 80 12.639 -0.930 0.713 593 HB2 HIS 80 1HB HIS 80 11.589 3.767 -0.361 594 HB3 HIS 80 2HB HIS 80 11.558 3.429 -2.069 595 H GLY 81 H GLY 81 13.251 6.519 -1.093 596 HA2 GLY 81 1HA GLY 81 14.225 7.826 -3.150 597 HA3 GLY 81 2HA GLY 81 13.021 6.906 -4.041 598 H ALA 82 H ALA 82 13.033 8.695 -0.865 599 HA ALA 82 HA ALA 82 11.181 10.618 -2.100 600 HB1 ALA 82 1HB ALA 82 10.640 9.281 0.567 601 HB2 ALA 82 2HB ALA 82 9.649 10.545 -0.158 602 HB3 ALA 82 3HB ALA 82 9.729 8.964 -0.945 603 H ASP 83 H ASP 83 10.733 12.353 -0.234 604 HA ASP 83 HA ASP 83 13.006 12.697 1.565 605 HB2 ASP 83 1HB ASP 83 11.942 14.947 -0.219 606 HB3 ASP 83 2HB ASP 83 12.935 15.201 1.206 607 H GLU 84 H GLU 84 12.364 14.504 3.113 608 HA GLU 84 HA GLU 84 9.956 14.122 4.552 609 HB2 GLU 84 1HB GLU 84 12.000 16.356 4.268 610 HB3 GLU 84 2HB GLU 84 10.711 16.424 5.480 611 HG2 GLU 84 1HG GLU 84 11.498 14.493 6.636 612 HG3 GLU 84 2HG GLU 84 12.567 14.029 5.308 613 H THR 85 H THR 85 10.478 15.868 1.677 614 HA THR 85 HA THR 85 8.132 17.629 1.866 615 HB THR 85 HB THR 85 9.990 16.761 -0.376 616 HG1 THR 85 1HG THR 85 10.671 18.266 1.419 617 HG21 THR 85 3HG2 THR 85 7.760 17.427 -1.287 618 HG22 THR 85 1HG2 THR 85 7.840 18.936 -0.363 619 HG23 THR 85 2HG2 THR 85 8.991 18.637 -1.685 620 H MET 86 H MET 86 9.045 14.894 -0.330 621 HA MET 86 HA MET 86 6.478 14.353 -1.247 622 HB2 MET 86 1HB MET 86 8.792 12.410 -0.934 623 HB3 MET 86 2HB MET 86 7.402 12.143 -1.942 624 HG2 MET 86 1HG MET 86 8.010 13.731 -3.532 625 HG3 MET 86 2HG MET 86 9.011 14.643 -2.414 626 HE1 MET 86 3HE MET 86 8.940 10.814 -3.660 627 HE2 MET 86 1HE MET 86 8.959 11.844 -5.117 628 HE3 MET 86 2HE MET 86 10.376 10.860 -4.705 629 H ALA 87 H ALA 87 8.257 12.713 1.440 630 HA ALA 87 HA ALA 87 6.249 10.805 2.006 631 HB1 ALA 87 1HB ALA 87 8.333 12.064 3.841 632 HB2 ALA 87 2HB ALA 87 7.397 10.581 4.163 633 HB3 ALA 87 3HB ALA 87 8.564 10.624 2.822 634 H GLN 88 H GLN 88 6.576 14.227 3.160 635 HA GLN 88 HA GLN 88 4.290 13.904 4.982 636 HB2 GLN 88 1HB GLN 88 5.843 15.612 5.558 637 HB3 GLN 88 2HB GLN 88 5.939 16.207 3.910 638 HG2 GLN 88 1HG GLN 88 4.756 17.813 5.193 639 HG3 GLN 88 2HG GLN 88 3.637 17.086 4.068 640 HE21 GLN 88 2HE2 GLN 88 1.903 15.776 4.882 641 HE22 GLN 88 1HE2 GLN 88 1.434 15.801 6.560 642 H GLN 89 H GLN 89 4.821 14.927 1.567 643 HA GLN 89 HA GLN 89 2.147 15.887 1.129 644 HB2 GLN 89 1HB GLN 89 4.114 14.702 -0.866 645 HB3 GLN 89 2HB GLN 89 2.560 15.471 -1.227 646 HG2 GLN 89 1HG GLN 89 3.677 17.412 0.393 647 HG3 GLN 89 2HG GLN 89 5.111 16.771 -0.435 648 HE21 GLN 89 2HE2 GLN 89 5.181 16.851 -2.860 649 HE22 GLN 89 1HE2 GLN 89 3.903 17.660 -3.697 650 H LEU 90 H LEU 90 3.587 12.554 0.623 651 HA LEU 90 HA LEU 90 1.273 11.252 -0.131 652 HG LEU 90 HG LEU 90 2.625 10.043 -1.301 653 HB2 LEU 90 1HB LEU 90 3.874 10.504 1.354 654 HB3 LEU 90 2HB LEU 90 2.592 9.330 1.216 655 HD11 LEU 90 1HD1 LEU 90 5.490 10.439 -0.941 656 HD12 LEU 90 2HD1 LEU 90 4.363 10.342 -2.366 657 HD13 LEU 90 3HD1 LEU 90 4.241 11.687 -1.263 658 HD21 LEU 90 3HD2 LEU 90 3.195 7.703 -0.319 659 HD22 LEU 90 1HD2 LEU 90 4.102 8.124 -1.787 660 HD23 LEU 90 2HD2 LEU 90 4.869 8.295 -0.190 661 H VAL 91 H VAL 91 2.590 11.528 3.178 662 HA VAL 91 HA VAL 91 0.417 10.284 4.390 663 HB VAL 91 HB VAL 91 2.729 11.393 5.351 664 HG11 VAL 91 1HG1 VAL 91 2.149 12.841 7.235 665 HG12 VAL 91 2HG1 VAL 91 1.722 13.592 5.692 666 HG13 VAL 91 3HG1 VAL 91 0.466 12.883 6.710 667 HG21 VAL 91 3HG2 VAL 91 1.601 9.396 6.212 668 HG22 VAL 91 1HG2 VAL 91 2.073 10.483 7.516 669 HG23 VAL 91 2HG2 VAL 91 0.367 10.401 6.984 670 H ASP 92 H ASP 92 0.664 13.663 3.301 671 HA ASP 92 HA ASP 92 -1.849 14.528 4.412 672 HB2 ASP 92 1HB ASP 92 -0.044 16.075 3.668 673 HB3 ASP 92 2HB ASP 92 -0.376 15.657 2.000 674 H ILE 93 H ILE 93 -1.015 12.813 1.365 675 HA ILE 93 HA ILE 93 -3.628 13.069 0.226 676 HB ILE 93 HB ILE 93 -1.830 10.657 -0.124 677 HG12 ILE 93 1HG1 ILE 93 -0.537 12.645 -0.766 678 HG13 ILE 93 2HG1 ILE 93 -0.847 11.564 -2.071 679 HG21 ILE 93 1HG2 ILE 93 -3.026 10.553 -2.374 680 HG22 ILE 93 2HG2 ILE 93 -4.068 10.274 -0.956 681 HG23 ILE 93 3HG2 ILE 93 -4.089 11.840 -1.774 682 HD11 ILE 93 3HD1 ILE 93 -2.527 13.060 -3.020 683 HD12 ILE 93 1HD1 ILE 93 -2.476 14.074 -1.541 684 HD13 ILE 93 2HD1 ILE 93 -1.095 14.013 -2.636 685 H ILE 94 H ILE 94 -2.176 10.562 2.443 686 HA ILE 94 HA ILE 94 -4.662 9.095 2.262 687 HB ILE 94 HB ILE 94 -2.392 8.036 2.524 688 HG12 ILE 94 1HG1 ILE 94 -3.338 6.339 4.240 689 HG13 ILE 94 2HG1 ILE 94 -4.817 7.319 4.220 690 HG21 ILE 94 1HG2 ILE 94 -2.654 8.846 5.445 691 HG22 ILE 94 2HG2 ILE 94 -1.496 7.684 4.781 692 HG23 ILE 94 3HG2 ILE 94 -1.425 9.370 4.276 693 HD11 ILE 94 3HD1 ILE 94 -3.439 6.034 1.813 694 HD12 ILE 94 1HD1 ILE 94 -4.822 5.405 2.714 695 HD13 ILE 94 2HD1 ILE 94 -4.998 6.919 1.786 696 H HIS 95 H HIS 95 -3.206 11.332 4.606 697 HA HIS 95 HA HIS 95 -5.275 11.099 6.604 698 HD1 HIS 95 HD1 HIS 95 -1.643 14.001 7.856 699 HD2 HIS 95 HD2 HIS 95 -3.407 10.149 7.765 700 HE1 HIS 95 HE1 HIS 95 -0.381 12.551 9.572 701 HE2 HIS 95 HE2 HIS 95 -1.469 10.200 9.497 702 HB2 HIS 95 1HB HIS 95 -3.436 13.405 5.791 703 HB3 HIS 95 2HB HIS 95 -4.530 13.485 7.154 704 H GLY 96 H GLY 96 -5.283 12.360 3.412 705 HA2 GLY 96 1HA GLY 96 -7.540 14.232 3.801 706 HA3 GLY 96 2HA GLY 96 -6.678 13.862 2.293 707 H CYS 97 H CYS 97 -6.780 11.317 1.827 708 HA CYS 97 HA CYS 97 -9.391 10.669 1.076 709 HB2 CYS 97 1HB CYS 97 -6.887 9.013 1.447 710 HB3 CYS 97 2HB CYS 97 -8.397 8.280 0.918 711 H GLU 98 H GLU 98 -7.673 9.673 4.105 712 HA GLU 98 HA GLU 98 -9.606 7.828 4.923 713 HB2 GLU 98 1HB GLU 98 -7.424 9.371 6.337 714 HB3 GLU 98 2HB GLU 98 -8.588 8.467 7.297 715 HG2 GLU 98 1HG GLU 98 -6.982 7.297 5.005 716 HG3 GLU 98 2HG GLU 98 -6.472 7.268 6.686 717 H LYS 99 H LYS 99 -9.752 11.230 4.778 718 HA LYS 99 HA LYS 99 -11.956 11.498 6.749 719 HB2 LYS 99 1HB LYS 99 -9.903 13.403 5.566 720 HB3 LYS 99 2HB LYS 99 -11.416 14.033 6.182 721 HG2 LYS 99 1HG LYS 99 -9.477 14.143 7.738 722 HG3 LYS 99 2HG LYS 99 -10.957 13.443 8.382 723 HD2 LYS 99 1HD LYS 99 -10.086 11.279 8.492 724 HD3 LYS 99 2HD LYS 99 -8.776 11.616 7.354 725 HE2 LYS 99 1HE LYS 99 -8.744 13.367 9.744 726 HE3 LYS 99 2HE LYS 99 -8.561 11.648 10.122 727 HZ1 LYS 99 3HZ LYS 99 -6.740 11.471 8.715 728 HZ2 LYS 99 1HZ LYS 99 -6.917 12.997 8.088 729 HZ3 LYS 99 2HZ LYS 99 -6.446 12.739 9.680 730 H SER 100 H SER 100 -11.085 11.839 3.348 731 HA SER 100 HA SER 100 -13.566 13.170 2.637 732 HG SER 100 HG SER 100 -12.465 14.572 0.475 733 HB2 SER 100 1HB SER 100 -11.171 13.473 1.648 734 HB3 SER 100 2HB SER 100 -11.508 11.995 0.730 735 H ALA 101 H ALA 101 -12.427 9.852 2.815 736 HA ALA 101 HA ALA 101 -13.689 8.366 1.043 737 HB1 ALA 101 1HB ALA 101 -13.726 6.627 2.924 738 HB2 ALA 101 2HB ALA 101 -12.194 7.464 2.717 739 HB3 ALA 101 3HB ALA 101 -13.307 7.930 4.029 740 HA PRO 102 HA PRO 102 -18.045 8.501 1.638 741 HB2 PRO 102 1HB PRO 102 -18.811 5.888 1.108 742 HB3 PRO 102 2HB PRO 102 -18.345 7.084 -0.135 743 HG2 PRO 102 1HG PRO 102 -16.696 4.862 1.044 744 HG3 PRO 102 2HG PRO 102 -16.744 5.449 -0.646 745 HD2 PRO 102 1HD PRO 102 -14.796 6.112 1.176 746 HD3 PRO 102 2HD PRO 102 -15.223 7.204 -0.157 747 HA PRO 103 HA PRO 103 -18.662 7.035 5.833 748 HB2 PRO 103 1HB PRO 103 -21.330 7.140 6.118 749 HB3 PRO 103 2HB PRO 103 -20.357 8.630 5.949 750 HG2 PRO 103 1HG PRO 103 -21.954 7.199 3.802 751 HG3 PRO 103 2HG PRO 103 -21.884 8.957 4.144 752 HD2 PRO 103 1HD PRO 103 -20.382 7.729 2.190 753 HD3 PRO 103 2HD PRO 103 -19.803 9.166 3.085 754 H ASN 104 H ASN 104 -17.829 4.994 5.208 755 HA ASN 104 HA ASN 104 -19.690 2.819 5.696 756 HB2 ASN 104 1HB ASN 104 -19.838 2.948 3.226 757 HB3 ASN 104 2HB ASN 104 -18.080 2.803 3.103 758 HD21 ASN 104 2HD2 ASN 104 -17.464 0.664 2.654 759 HD22 ASN 104 1HD2 ASN 104 -18.370 -0.746 3.193 760 H ASP 105 H ASP 105 -18.447 2.609 7.575 761 HA ASP 105 HA ASP 105 -15.586 2.174 7.466 762 HB2 ASP 105 1HB ASP 105 -15.653 2.365 9.683 763 HB3 ASP 105 2HB ASP 105 -17.266 2.964 9.489 764 H ASP 106 H ASP 106 -14.608 0.256 7.104 765 HA ASP 106 HA ASP 106 -15.557 -2.098 8.314 766 HB2 ASP 106 1HB ASP 106 -16.559 -1.949 5.690 767 HB3 ASP 106 2HB ASP 106 -15.044 -2.820 5.496 768 H LYS 107 H LYS 107 -13.722 -3.753 8.177 769 HA LYS 107 HA LYS 107 -11.170 -2.336 8.286 770 HB2 LYS 107 1HB LYS 107 -12.026 -5.252 8.426 771 HB3 LYS 107 2HB LYS 107 -10.331 -4.806 8.400 772 HG2 LYS 107 1HG LYS 107 -12.276 -3.923 10.555 773 HG3 LYS 107 2HG LYS 107 -11.097 -5.252 10.650 774 HD2 LYS 107 1HD LYS 107 -9.256 -3.585 10.182 775 HD3 LYS 107 2HD LYS 107 -10.479 -2.294 10.307 776 HE2 LYS 107 1HE LYS 107 -11.009 -2.986 12.592 777 HE3 LYS 107 2HE LYS 107 -9.786 -4.269 12.506 778 HZ1 LYS 107 3HZ LYS 107 -8.092 -2.648 12.284 779 HZ2 LYS 107 1HZ LYS 107 -9.168 -1.407 12.125 780 HZ3 LYS 107 2HZ LYS 107 -9.027 -2.172 13.563 781 H CYS 108 H CYS 108 -13.023 -4.089 5.915 782 HA CYS 108 HA CYS 108 -10.646 -4.210 4.190 783 HB2 CYS 108 1HB CYS 108 -13.179 -5.832 3.992 784 HB3 CYS 108 2HB CYS 108 -11.674 -6.000 3.104 785 H MET 109 H MET 109 -13.944 -2.864 4.296 786 HA MET 109 HA MET 109 -13.892 -2.370 1.433 787 HB2 MET 109 1HB MET 109 -15.918 -1.750 3.586 788 HB3 MET 109 2HB MET 109 -16.055 -1.045 1.990 789 HG2 MET 109 1HG MET 109 -15.579 -3.990 2.070 790 HG3 MET 109 2HG MET 109 -17.141 -3.418 2.636 791 HE1 MET 109 3HE MET 109 -15.047 -1.613 -0.243 792 HE2 MET 109 1HE MET 109 -14.678 -3.345 -0.517 793 HE3 MET 109 2HE MET 109 -15.669 -2.441 -1.685 794 H LYS 110 H LYS 110 -13.951 -0.131 4.334 795 HA LYS 110 HA LYS 110 -13.632 2.128 2.754 796 HB2 LYS 110 1HB LYS 110 -12.970 3.384 4.627 797 HB3 LYS 110 2HB LYS 110 -14.146 2.215 5.190 798 HG2 LYS 110 1HG LYS 110 -12.732 1.391 6.712 799 HG3 LYS 110 2HG LYS 110 -11.478 1.111 5.503 800 HD2 LYS 110 1HD LYS 110 -10.548 2.461 7.180 801 HD3 LYS 110 2HD LYS 110 -10.739 3.470 5.739 802 HE2 LYS 110 1HE LYS 110 -12.731 4.514 6.662 803 HE3 LYS 110 2HE LYS 110 -12.768 3.364 8.013 804 HZ1 LYS 110 3HZ LYS 110 -11.785 5.601 8.483 805 HZ2 LYS 110 1HZ LYS 110 -10.762 4.350 8.875 806 HZ3 LYS 110 2HZ LYS 110 -10.535 5.230 7.508 807 H THR 111 H THR 111 -11.096 -0.093 3.868 808 HA THR 111 HA THR 111 -8.813 1.190 3.093 809 HB THR 111 HB THR 111 -9.508 -1.776 2.889 810 HG1 THR 111 1HG THR 111 -9.210 -1.831 5.082 811 HG21 THR 111 3HG2 THR 111 -7.150 -2.125 3.599 812 HG22 THR 111 1HG2 THR 111 -7.257 -1.304 2.028 813 HG23 THR 111 2HG2 THR 111 -6.869 -0.378 3.494 814 H ILE 112 H ILE 112 -11.127 -0.531 0.929 815 HA ILE 112 HA ILE 112 -9.308 -0.480 -1.332 816 HB ILE 112 HB ILE 112 -12.268 -1.067 -0.952 817 HG12 ILE 112 1HG1 ILE 112 -10.128 -2.924 -2.065 818 HG13 ILE 112 2HG1 ILE 112 -10.268 -2.658 -0.331 819 HG21 ILE 112 1HG2 ILE 112 -12.207 -0.076 -3.150 820 HG22 ILE 112 2HG2 ILE 112 -10.786 -1.031 -3.606 821 HG23 ILE 112 3HG2 ILE 112 -12.363 -1.816 -3.337 822 HD11 ILE 112 3HD1 ILE 112 -12.587 -3.396 -0.346 823 HD12 ILE 112 1HD1 ILE 112 -12.500 -3.710 -2.101 824 HD13 ILE 112 2HD1 ILE 112 -11.500 -4.634 -0.966 825 H ASP 113 H ASP 113 -12.094 1.462 -0.200 826 HA ASP 113 HA ASP 113 -12.166 3.220 -2.428 827 HB2 ASP 113 1HB ASP 113 -13.241 3.445 0.389 828 HB3 ASP 113 2HB ASP 113 -13.484 4.690 -0.838 829 H VAL 114 H VAL 114 -10.668 3.536 0.792 830 HA VAL 114 HA VAL 114 -9.373 6.009 0.504 831 HB VAL 114 HB VAL 114 -8.799 3.485 2.092 832 HG11 VAL 114 1HG1 VAL 114 -7.440 6.182 2.406 833 HG12 VAL 114 2HG1 VAL 114 -7.350 4.835 3.568 834 HG13 VAL 114 3HG1 VAL 114 -6.694 4.628 1.941 835 HG21 VAL 114 3HG2 VAL 114 -9.807 4.595 3.952 836 HG22 VAL 114 1HG2 VAL 114 -9.835 6.165 3.116 837 HG23 VAL 114 2HG2 VAL 114 -10.919 4.869 2.620 838 H ALA 115 H ALA 115 -8.157 2.680 -0.365 839 HA ALA 115 HA ALA 115 -5.628 3.543 -1.290 840 HB1 ALA 115 1HB ALA 115 -5.569 1.359 -2.466 841 HB2 ALA 115 2HB ALA 115 -6.127 1.192 -0.795 842 HB3 ALA 115 3HB ALA 115 -7.294 1.123 -2.133 843 H MET 116 H MET 116 -8.663 2.957 -3.167 844 HA MET 116 HA MET 116 -7.445 3.764 -5.656 845 HB2 MET 116 1HB MET 116 -9.601 3.513 -6.630 846 HB3 MET 116 2HB MET 116 -9.435 2.259 -5.438 847 HG2 MET 116 1HG MET 116 -11.063 3.089 -4.094 848 HG3 MET 116 2HG MET 116 -10.774 4.765 -4.483 849 HE1 MET 116 3HE MET 116 -12.543 1.505 -5.350 850 HE2 MET 116 1HE MET 116 -13.315 1.830 -6.915 851 HE3 MET 116 2HE MET 116 -11.542 1.664 -6.808 852 H CYS 117 H CYS 117 -9.086 5.525 -3.077 853 HA CYS 117 HA CYS 117 -9.388 8.032 -4.345 854 HB2 CYS 117 1HB CYS 117 -10.501 7.566 -2.294 855 HB3 CYS 117 2HB CYS 117 -9.009 7.223 -1.447 856 H PHE 118 H PHE 118 -6.651 6.662 -2.379 857 HA PHE 118 HA PHE 118 -5.029 8.908 -2.432 858 HD1 PHE 118 HD1 PHE 118 -1.956 7.311 -3.928 859 HD2 PHE 118 HD2 PHE 118 -3.004 7.743 0.236 860 HE1 PHE 118 HE1 PHE 118 0.385 8.011 -3.355 861 HE2 PHE 118 HE2 PHE 118 -0.682 8.414 0.746 862 HZ PHE 118 HZ PHE 118 1.021 8.625 -1.139 863 HB2 PHE 118 1HB PHE 118 -4.569 6.713 -1.219 864 HB3 PHE 118 2HB PHE 118 -4.003 6.051 -2.732 865 H LYS 119 H LYS 119 -5.010 6.258 -4.915 866 HA LYS 119 HA LYS 119 -3.149 7.571 -6.578 867 HB2 LYS 119 1HB LYS 119 -3.857 5.206 -6.853 868 HB3 LYS 119 2HB LYS 119 -5.375 5.743 -7.595 869 HG2 LYS 119 1HG LYS 119 -4.257 6.674 -9.474 870 HG3 LYS 119 2HG LYS 119 -2.728 6.819 -8.616 871 HD2 LYS 119 1HD LYS 119 -2.511 5.180 -10.304 872 HD3 LYS 119 2HD LYS 119 -2.352 4.409 -8.724 873 HE2 LYS 119 1HE LYS 119 -4.284 3.188 -8.949 874 HE3 LYS 119 2HE LYS 119 -5.093 4.419 -9.942 875 HZ1 LYS 119 3HZ LYS 119 -3.947 3.691 -11.825 876 HZ2 LYS 119 1HZ LYS 119 -2.840 2.796 -10.956 877 HZ3 LYS 119 2HZ LYS 119 -4.399 2.319 -11.038 878 H LYS 120 H LYS 120 -6.730 7.921 -6.552 879 HA LYS 120 HA LYS 120 -6.827 9.672 -8.824 880 HB2 LYS 120 1HB LYS 120 -8.655 8.965 -6.541 881 HB3 LYS 120 2HB LYS 120 -8.853 10.579 -7.222 882 HG2 LYS 120 1HG LYS 120 -10.328 9.121 -8.420 883 HG3 LYS 120 2HG LYS 120 -9.035 9.649 -9.478 884 HD2 LYS 120 1HD LYS 120 -8.827 7.522 -10.072 885 HD3 LYS 120 2HD LYS 120 -8.000 7.230 -8.546 886 HE2 LYS 120 1HE LYS 120 -10.068 6.533 -7.468 887 HE3 LYS 120 2HE LYS 120 -11.022 7.095 -8.851 888 HZ1 LYS 120 3HZ LYS 120 -9.860 5.428 -10.204 889 HZ2 LYS 120 1HZ LYS 120 -9.205 4.769 -8.835 890 HZ3 LYS 120 2HZ LYS 120 -10.855 4.823 -9.067 891 H GLU 121 H GLU 121 -6.377 10.344 -5.304 892 HA GLU 121 HA GLU 121 -6.298 13.161 -5.711 893 HB2 GLU 121 1HB GLU 121 -5.548 11.303 -3.442 894 HB3 GLU 121 2HB GLU 121 -5.159 13.026 -3.392 895 HG2 GLU 121 1HG GLU 121 -7.668 13.401 -4.029 896 HG3 GLU 121 2HG GLU 121 -7.904 11.717 -3.558 897 H ILE 122 H ILE 122 -3.732 10.727 -6.251 898 HA ILE 122 HA ILE 122 -1.598 12.542 -6.074 899 HB ILE 122 HB ILE 122 -2.049 10.106 -7.826 900 HG12 ILE 122 1HG1 ILE 122 -0.842 10.463 -5.068 901 HG13 ILE 122 2HG1 ILE 122 -2.128 9.415 -5.620 902 HG21 ILE 122 1HG2 ILE 122 0.218 9.855 -8.319 903 HG22 ILE 122 2HG2 ILE 122 -0.215 11.478 -8.793 904 HG23 ILE 122 3HG2 ILE 122 0.707 11.212 -7.300 905 HD11 ILE 122 3HD1 ILE 122 -0.398 7.949 -5.246 906 HD12 ILE 122 1HD1 ILE 122 -0.423 8.145 -6.988 907 HD13 ILE 122 2HD1 ILE 122 0.786 9.017 -5.971 908 H HIS 123 H HIS 123 -4.255 12.586 -8.336 909 HA HIS 123 HA HIS 123 -3.075 13.986 -10.511 910 HD1 HIS 123 HD1 HIS 123 -6.471 13.825 -12.669 911 HD2 HIS 123 HD2 HIS 123 -4.668 11.138 -9.935 912 HE1 HIS 123 HE1 HIS 123 -6.627 11.472 -13.693 913 HE2 HIS 123 HE2 HIS 123 -5.581 9.858 -11.974 914 HB2 HIS 123 1HB HIS 123 -5.769 14.084 -9.145 915 HB3 HIS 123 2HB HIS 123 -5.429 14.982 -10.617 916 H LYS 124 H LYS 124 -3.470 15.109 -7.134 917 HA LYS 124 HA LYS 124 -3.239 17.931 -8.077 918 HB2 LYS 124 1HB LYS 124 -3.632 18.632 -5.891 919 HB3 LYS 124 2HB LYS 124 -4.829 17.403 -6.304 920 HG2 LYS 124 1HG LYS 124 -2.966 15.821 -5.149 921 HG3 LYS 124 2HG LYS 124 -2.574 17.330 -4.318 922 HD2 LYS 124 1HD LYS 124 -5.171 17.477 -3.944 923 HD3 LYS 124 2HD LYS 124 -5.140 15.732 -4.338 924 HE2 LYS 124 1HE LYS 124 -3.542 15.382 -2.465 925 HE3 LYS 124 2HE LYS 124 -3.601 17.106 -2.097 926 HZ1 LYS 124 3HZ LYS 124 -6.112 16.677 -1.776 927 HZ2 LYS 124 1HZ LYS 124 -5.718 15.090 -1.675 928 HZ3 LYS 124 2HZ LYS 124 -5.104 16.142 -0.621 929 H LEU 125 H LEU 125 -1.297 15.239 -7.121 930 HA LEU 125 HA LEU 125 1.033 16.817 -6.312 931 HG LEU 125 HG LEU 125 -0.508 14.453 -4.948 932 HB2 LEU 125 1HB LEU 125 0.784 13.874 -7.075 933 HB3 LEU 125 2HB LEU 125 2.166 14.641 -6.366 934 HD11 LEU 125 1HD1 LEU 125 0.479 12.251 -5.506 935 HD12 LEU 125 2HD1 LEU 125 1.974 12.703 -4.700 936 HD13 LEU 125 3HD1 LEU 125 0.437 12.532 -3.788 937 HD21 LEU 125 3HD2 LEU 125 2.294 15.085 -3.895 938 HD22 LEU 125 1HD2 LEU 125 0.988 16.255 -4.096 939 HD23 LEU 125 2HD2 LEU 125 0.821 14.966 -2.912 940 H ASN 126 H ASN 126 0.064 14.708 -9.023 941 HA ASN 126 HA ASN 126 0.322 14.758 -11.223 942 HB2 ASN 126 1HB ASN 126 1.720 17.451 -11.011 943 HB3 ASN 126 2HB ASN 126 1.190 16.655 -12.484 944 HD21 ASN 126 2HD2 ASN 126 -0.004 18.018 -9.401 945 HD22 ASN 126 1HD2 ASN 126 -1.658 17.984 -9.899 946 H TRP 127 H TRP 127 2.801 14.688 -9.144 947 HA TRP 127 HA TRP 127 4.540 13.309 -11.147 948 HD1 TRP 127 HD1 TRP 127 4.265 15.577 -7.499 949 HE1 TRP 127 HE1 TRP 127 4.236 15.068 -5.059 950 HE3 TRP 127 HE3 TRP 127 6.757 11.105 -7.614 951 HZ2 TRP 127 HZ2 TRP 127 4.727 12.671 -3.335 952 HZ3 TRP 127 HZ3 TRP 127 7.172 9.881 -5.499 953 HH2 TRP 127 HH2 TRP 127 6.061 10.591 -3.402 954 HB2 TRP 127 1HB TRP 127 6.106 12.757 -9.412 955 HB3 TRP 127 2HB TRP 127 5.860 14.471 -9.536 956 H VAL 128 H VAL 128 5.166 11.015 -10.026 957 HA VAL 128 HA VAL 128 2.760 9.618 -9.035 958 HB VAL 128 HB VAL 128 4.434 8.589 -11.348 959 HG11 VAL 128 1HG1 VAL 128 1.834 7.542 -10.177 960 HG12 VAL 128 2HG1 VAL 128 2.756 6.829 -11.512 961 HG13 VAL 128 3HG1 VAL 128 3.444 6.828 -9.890 962 HG21 VAL 128 3HG2 VAL 128 2.383 8.858 -12.739 963 HG22 VAL 128 1HG2 VAL 128 1.611 9.731 -11.407 964 HG23 VAL 128 2HG2 VAL 128 3.040 10.405 -12.223 965 HA PRO 129 HA PRO 129 6.370 8.287 -6.565 966 HB2 PRO 129 1HB PRO 129 4.456 6.725 -4.962 967 HB3 PRO 129 2HB PRO 129 5.472 8.090 -4.451 968 HG2 PRO 129 1HG PRO 129 2.698 8.209 -4.751 969 HG3 PRO 129 2HG PRO 129 3.791 9.620 -4.830 970 HD2 PRO 129 1HD PRO 129 2.506 8.089 -7.059 971 HD3 PRO 129 2HD PRO 129 2.916 9.836 -6.932 972 H ASN 130 H ASN 130 7.267 6.254 -5.959 973 HA ASN 130 HA ASN 130 7.127 4.061 -7.750 974 HB2 ASN 130 1HB ASN 130 7.994 4.248 -4.841 975 HB3 ASN 130 2HB ASN 130 8.216 2.803 -5.823 976 HD21 ASN 130 2HD2 ASN 130 10.115 4.903 -4.596 977 HD22 ASN 130 1HD2 ASN 130 11.203 5.324 -5.909 978 H MET 131 H MET 131 6.292 1.982 -7.435 979 HA MET 131 HA MET 131 3.711 1.553 -6.505 980 HB2 MET 131 1HB MET 131 5.876 -0.566 -6.299 981 HB3 MET 131 2HB MET 131 4.177 -0.808 -6.664 982 HG2 MET 131 1HG MET 131 6.004 0.679 -8.603 983 HG3 MET 131 2HG MET 131 6.034 -1.056 -8.471 984 HE1 MET 131 3HE MET 131 2.330 1.259 -10.037 985 HE2 MET 131 1HE MET 131 2.595 1.139 -8.292 986 HE3 MET 131 2HE MET 131 3.746 2.046 -9.312 987 H ASP 132 H ASP 132 6.775 0.907 -4.767 988 HA ASP 132 HA ASP 132 5.581 -0.157 -2.461 989 HB2 ASP 132 1HB ASP 132 8.142 1.303 -2.058 990 HB3 ASP 132 2HB ASP 132 7.663 -0.245 -1.489 991 H LEU 133 H LEU 133 6.698 3.138 -3.162 992 HA LEU 133 HA LEU 133 6.160 4.420 -0.753 993 HG LEU 133 HG LEU 133 8.231 5.097 -2.785 994 HB2 LEU 133 1HB LEU 133 5.885 5.433 -3.603 995 HB3 LEU 133 2HB LEU 133 5.582 6.462 -2.218 996 HD11 LEU 133 1HD1 LEU 133 9.025 7.347 -3.334 997 HD12 LEU 133 2HD1 LEU 133 7.717 6.904 -4.416 998 HD13 LEU 133 3HD1 LEU 133 7.411 8.023 -3.070 999 HD21 LEU 133 3HD2 LEU 133 7.946 5.492 -0.394 1000 HD22 LEU 133 1HD2 LEU 133 9.092 6.647 -1.077 1001 HD23 LEU 133 2HD2 LEU 133 7.422 7.161 -0.709 1002 H VAL 134 H VAL 134 3.877 4.030 -3.499 1003 HA VAL 134 HA VAL 134 1.635 5.286 -2.320 1004 HB VAL 134 HB VAL 134 1.894 3.031 -4.357 1005 HG11 VAL 134 1HG1 VAL 134 -0.601 4.683 -3.817 1006 HG12 VAL 134 2HG1 VAL 134 -0.377 3.436 -5.069 1007 HG13 VAL 134 3HG1 VAL 134 -0.391 2.983 -3.366 1008 HG21 VAL 134 3HG2 VAL 134 1.471 4.747 -6.024 1009 HG22 VAL 134 1HG2 VAL 134 1.291 5.990 -4.763 1010 HG23 VAL 134 2HG2 VAL 134 2.861 5.212 -5.054 1011 H ILE 135 H ILE 135 2.480 1.801 -2.427 1012 HA ILE 135 HA ILE 135 0.253 0.938 -0.916 1013 HB ILE 135 HB ILE 135 2.979 -0.323 -1.341 1014 HG12 ILE 135 1HG1 ILE 135 0.425 -1.041 -2.773 1015 HG13 ILE 135 2HG1 ILE 135 1.460 0.217 -3.405 1016 HG21 ILE 135 1HG2 ILE 135 0.358 -1.408 -0.191 1017 HG22 ILE 135 2HG2 ILE 135 1.563 -2.493 -0.887 1018 HG23 ILE 135 3HG2 ILE 135 2.003 -1.495 0.496 1019 HD11 ILE 135 3HD1 ILE 135 3.361 -1.458 -3.463 1020 HD12 ILE 135 1HD1 ILE 135 2.154 -2.717 -3.089 1021 HD13 ILE 135 2HD1 ILE 135 2.019 -1.770 -4.577 1022 H GLY 136 H GLY 136 3.651 1.212 0.111 1023 HA2 GLY 136 1HA GLY 136 3.614 0.801 2.781 1024 HA3 GLY 136 2HA GLY 136 4.598 2.072 2.045 1025 H GLU 137 H GLU 137 2.507 3.925 1.293 1026 HA GLU 137 HA GLU 137 2.069 5.105 3.875 1027 HB2 GLU 137 1HB GLU 137 2.575 6.315 1.704 1028 HB3 GLU 137 2HB GLU 137 0.910 5.997 1.213 1029 HG2 GLU 137 1HG GLU 137 1.075 8.226 2.167 1030 HG3 GLU 137 2HG GLU 137 0.103 7.240 3.202 1031 H VAL 138 H VAL 138 -0.246 3.526 1.507 1032 HA VAL 138 HA VAL 138 -2.480 3.947 3.168 1033 HB VAL 138 HB VAL 138 -2.283 3.084 0.722 1034 HG11 VAL 138 1HG1 VAL 138 -1.319 0.973 0.687 1035 HG12 VAL 138 2HG1 VAL 138 -2.274 0.373 2.051 1036 HG13 VAL 138 3HG1 VAL 138 -3.017 0.667 0.477 1037 HG21 VAL 138 3HG2 VAL 138 -4.312 3.703 1.473 1038 HG22 VAL 138 1HG2 VAL 138 -4.645 2.017 1.102 1039 HG23 VAL 138 2HG2 VAL 138 -4.364 2.508 2.795 1040 H LEU 139 H LEU 139 -0.083 1.420 3.142 1041 HA LEU 139 HA LEU 139 -1.057 -0.211 5.273 1042 HG LEU 139 HG LEU 139 0.690 -0.761 2.493 1043 HB2 LEU 139 1HB LEU 139 1.821 0.269 4.361 1044 HB3 LEU 139 2HB LEU 139 1.299 -0.988 5.440 1045 HD11 LEU 139 1HD1 LEU 139 2.897 -1.613 3.044 1046 HD12 LEU 139 2HD1 LEU 139 2.190 -2.815 4.150 1047 HD13 LEU 139 3HD1 LEU 139 1.892 -2.913 2.397 1048 HD21 LEU 139 3HD2 LEU 139 -0.538 -2.841 2.631 1049 HD22 LEU 139 1HD2 LEU 139 -0.409 -2.771 4.407 1050 HD23 LEU 139 2HD2 LEU 139 -1.340 -1.548 3.524 1051 H ALA 140 H ALA 140 0.384 2.884 5.439 1052 HA ALA 140 HA ALA 140 1.258 2.505 8.255 1053 HB1 ALA 140 1HB ALA 140 1.511 4.890 6.358 1054 HB2 ALA 140 2HB ALA 140 2.170 4.816 7.996 1055 HB3 ALA 140 3HB ALA 140 2.790 3.713 6.750 1056 H GLU 141 H GLU 141 -1.278 4.283 6.438 1057 HA GLU 141 HA GLU 141 -2.346 5.433 8.892 1058 HB2 GLU 141 1HB GLU 141 -2.993 5.437 6.070 1059 HB3 GLU 141 2HB GLU 141 -4.452 5.052 6.968 1060 HG2 GLU 141 1HG GLU 141 -2.647 7.465 7.415 1061 HG3 GLU 141 2HG GLU 141 -4.231 7.522 6.632 1062 H VAL 142 H VAL 142 -3.151 2.593 6.896 1063 HA VAL 142 HA VAL 142 -5.165 1.578 8.674 1064 HB VAL 142 HB VAL 142 -3.745 0.544 6.196 1065 HG11 VAL 142 1HG1 VAL 142 -5.591 -1.050 5.894 1066 HG12 VAL 142 2HG1 VAL 142 -4.730 -1.406 7.396 1067 HG13 VAL 142 3HG1 VAL 142 -6.303 -0.567 7.447 1068 HG21 VAL 142 3HG2 VAL 142 -5.093 2.543 5.754 1069 HG22 VAL 142 1HG2 VAL 142 -6.085 1.178 5.225 1070 HG23 VAL 142 2HG2 VAL 142 -6.416 1.953 6.765 Start of MODEL 18 1 HA SER 1 HA SER 1 28.598 -7.877 -4.169 2 HG SER 1 HG SER 1 27.454 -9.432 -7.621 3 H1 SER 1 H SER 1 28.187 -10.108 -3.667 4 HB2 SER 1 1HB SER 1 28.492 -7.803 -6.793 5 HB3 SER 1 2HB SER 1 29.568 -8.932 -5.956 6 HA PRO 2 HA PRO 2 25.149 -5.317 -4.099 7 HB2 PRO 2 1HB PRO 2 26.148 -2.897 -4.903 8 HB3 PRO 2 2HB PRO 2 26.593 -3.721 -3.382 9 HG2 PRO 2 1HG PRO 2 28.083 -3.748 -6.000 10 HG3 PRO 2 2HG PRO 2 28.758 -3.416 -4.375 11 HD2 PRO 2 1HD PRO 2 28.910 -5.859 -5.583 12 HD3 PRO 2 2HD PRO 2 28.680 -5.726 -3.819 13 H GLU 3 H GLU 3 23.783 -6.232 -5.572 14 HA GLU 3 HA GLU 3 23.330 -4.821 -8.108 15 HB2 GLU 3 1HB GLU 3 24.965 -6.653 -8.593 16 HB3 GLU 3 2HB GLU 3 23.803 -7.838 -8.001 17 HG2 GLU 3 1HG GLU 3 22.167 -6.951 -9.745 18 HG3 GLU 3 2HG GLU 3 23.463 -5.921 -10.365 19 H ILE 4 H ILE 4 22.359 -7.935 -6.593 20 HA ILE 4 HA ILE 4 19.533 -7.076 -6.362 21 HB ILE 4 HB ILE 4 18.995 -9.453 -6.875 22 HG12 ILE 4 1HG1 ILE 4 21.736 -9.488 -8.242 23 HG13 ILE 4 2HG1 ILE 4 21.397 -10.309 -6.711 24 HG21 ILE 4 1HG2 ILE 4 18.835 -8.940 -9.246 25 HG22 ILE 4 2HG2 ILE 4 18.601 -7.459 -8.329 26 HG23 ILE 4 3HG2 ILE 4 20.152 -7.753 -9.123 27 HD11 ILE 4 3HD1 ILE 4 19.611 -11.609 -7.799 28 HD12 ILE 4 1HD1 ILE 4 20.007 -10.846 -9.356 29 HD13 ILE 4 2HD1 ILE 4 21.202 -11.881 -8.550 30 H MET 5 H MET 5 20.802 -6.409 -4.438 31 HA MET 5 HA MET 5 21.347 -8.258 -2.252 32 HB2 MET 5 1HB MET 5 20.794 -5.252 -2.315 33 HB3 MET 5 2HB MET 5 21.404 -6.150 -0.929 34 HG2 MET 5 1HG MET 5 22.832 -5.941 -3.602 35 HG3 MET 5 2HG MET 5 23.152 -4.902 -2.217 36 HE1 MET 5 3HE MET 5 24.720 -5.373 -0.325 37 HE2 MET 5 1HE MET 5 23.417 -6.389 0.325 38 HE3 MET 5 2HE MET 5 25.084 -6.999 0.291 39 H LYS 6 H LYS 6 19.946 -7.575 -0.155 40 HA LYS 6 HA LYS 6 17.371 -8.701 -0.328 41 HB2 LYS 6 1HB LYS 6 18.661 -6.780 1.664 42 HB3 LYS 6 2HB LYS 6 17.064 -7.496 1.907 43 HG2 LYS 6 1HG LYS 6 17.956 -9.723 1.979 44 HG3 LYS 6 2HG LYS 6 19.568 -9.197 1.484 45 HD2 LYS 6 1HD LYS 6 19.923 -7.993 3.543 46 HD3 LYS 6 2HD LYS 6 18.247 -8.232 4.034 47 HE2 LYS 6 1HE LYS 6 19.775 -9.716 5.242 48 HE3 LYS 6 2HE LYS 6 18.559 -10.595 4.318 49 HZ1 LYS 6 3HZ LYS 6 20.875 -11.473 4.249 50 HZ2 LYS 6 1HZ LYS 6 20.184 -11.277 2.776 51 HZ3 LYS 6 2HZ LYS 6 21.313 -10.210 3.301 52 H ASN 7 H ASN 7 15.531 -7.892 -1.317 53 HA ASN 7 HA ASN 7 15.189 -5.007 -1.496 54 HB2 ASN 7 1HB ASN 7 14.574 -5.150 -3.849 55 HB3 ASN 7 2HB ASN 7 16.251 -5.640 -3.607 56 HD21 ASN 7 2HD2 ASN 7 16.817 -7.836 -3.791 57 HD22 ASN 7 1HD2 ASN 7 15.662 -9.093 -4.054 58 H LEU 8 H LEU 8 12.958 -4.537 -2.374 59 HA LEU 8 HA LEU 8 11.065 -6.035 -0.725 60 HG LEU 8 HG LEU 8 10.739 -4.621 0.681 61 HB2 LEU 8 1HB LEU 8 11.284 -3.312 -1.867 62 HB3 LEU 8 2HB LEU 8 9.661 -3.931 -1.913 63 HD11 LEU 8 1HD1 LEU 8 10.904 -1.671 0.163 64 HD12 LEU 8 2HD1 LEU 8 11.326 -2.552 1.647 65 HD13 LEU 8 3HD1 LEU 8 12.344 -2.747 0.218 66 HD21 LEU 8 3HD2 LEU 8 8.415 -4.402 0.347 67 HD22 LEU 8 1HD2 LEU 8 8.924 -3.212 1.527 68 HD23 LEU 8 2HD2 LEU 8 8.591 -2.692 -0.138 69 H SER 9 H SER 9 11.621 -7.840 -2.102 70 HA SER 9 HA SER 9 9.225 -8.226 -3.842 71 HG SER 9 HG SER 9 10.708 -10.102 -6.249 72 HB2 SER 9 1HB SER 9 11.450 -8.229 -5.106 73 HB3 SER 9 2HB SER 9 11.834 -9.718 -4.272 74 H ASN 10 H ASN 10 11.706 -10.361 -2.384 75 HA ASN 10 HA ASN 10 9.951 -12.396 -1.696 76 HB2 ASN 10 1HB ASN 10 12.266 -11.926 0.191 77 HB3 ASN 10 2HB ASN 10 11.690 -13.425 -0.556 78 HD21 ASN 10 2HD2 ASN 10 13.769 -10.594 -0.887 79 HD22 ASN 10 1HD2 ASN 10 14.541 -11.088 -2.371 80 H ASN 11 H ASN 11 10.566 -9.445 0.055 81 HA ASN 11 HA ASN 11 9.589 -10.394 2.645 82 HB2 ASN 11 1HB ASN 11 10.312 -7.616 1.670 83 HB3 ASN 11 2HB ASN 11 10.003 -8.103 3.343 84 HD21 ASN 11 2HD2 ASN 11 12.555 -7.098 1.824 85 HD22 ASN 11 1HD2 ASN 11 13.744 -8.238 2.326 86 H PHE 12 H PHE 12 8.460 -8.074 0.166 87 HA PHE 12 HA PHE 12 5.846 -7.674 1.015 88 HD1 PHE 12 HD1 PHE 12 4.161 -6.512 0.180 89 HD2 PHE 12 HD2 PHE 12 7.600 -5.225 -2.063 90 HE1 PHE 12 HE1 PHE 12 3.486 -4.113 0.497 91 HE2 PHE 12 HE2 PHE 12 7.008 -2.872 -1.692 92 HZ PHE 12 HZ PHE 12 4.930 -2.269 -0.410 93 HB2 PHE 12 1HB PHE 12 7.353 -7.485 -1.547 94 HB3 PHE 12 2HB PHE 12 5.673 -7.898 -1.801 95 H GLY 13 H GLY 13 6.969 -10.144 -1.320 96 HA2 GLY 13 1HA GLY 13 4.505 -11.410 -1.710 97 HA3 GLY 13 2HA GLY 13 6.086 -12.174 -1.939 98 H LYS 14 H LYS 14 6.711 -11.690 1.066 99 HA LYS 14 HA LYS 14 5.597 -14.294 1.905 100 HB2 LYS 14 1HB LYS 14 7.692 -14.243 2.647 101 HB3 LYS 14 2HB LYS 14 7.767 -12.459 2.765 102 HG2 LYS 14 1HG LYS 14 6.762 -12.405 4.827 103 HG3 LYS 14 2HG LYS 14 6.286 -14.102 4.782 104 HD2 LYS 14 1HD LYS 14 9.113 -14.137 4.356 105 HD3 LYS 14 2HD LYS 14 8.862 -12.887 5.573 106 HE2 LYS 14 1HE LYS 14 9.276 -15.058 6.606 107 HE3 LYS 14 2HE LYS 14 7.669 -14.465 7.005 108 HZ1 LYS 14 3HZ LYS 14 7.541 -16.729 6.489 109 HZ2 LYS 14 1HZ LYS 14 6.810 -15.967 5.235 110 HZ3 LYS 14 2HZ LYS 14 8.312 -16.578 5.030 111 H ALA 15 H ALA 15 5.422 -10.877 3.040 112 HA ALA 15 HA ALA 15 3.324 -11.236 4.876 113 HB1 ALA 15 1HB ALA 15 4.771 -9.066 4.060 114 HB2 ALA 15 2HB ALA 15 3.400 -8.815 3.026 115 HB3 ALA 15 3HB ALA 15 3.203 -8.871 4.814 116 H MET 16 H MET 16 3.098 -10.866 1.320 117 HA MET 16 HA MET 16 0.254 -10.795 1.223 118 HB2 MET 16 1HB MET 16 2.064 -10.239 -0.621 119 HB3 MET 16 2HB MET 16 1.961 -11.960 -1.000 120 HG2 MET 16 1HG MET 16 -0.361 -10.007 -0.874 121 HG3 MET 16 2HG MET 16 0.436 -10.523 -2.355 122 HE1 MET 16 3HE MET 16 -3.430 -12.093 -1.395 123 HE2 MET 16 1HE MET 16 -2.654 -10.642 -0.745 124 HE3 MET 16 2HE MET 16 -2.725 -10.874 -2.511 125 H ASP 17 H ASP 17 2.658 -13.453 1.096 126 HA ASP 17 HA ASP 17 0.816 -15.540 0.485 127 HB2 ASP 17 1HB ASP 17 3.425 -15.528 0.456 128 HB3 ASP 17 2HB ASP 17 3.325 -15.952 2.157 129 H GLN 18 H GLN 18 2.117 -14.327 3.592 130 HA GLN 18 HA GLN 18 0.706 -15.878 5.405 131 HB2 GLN 18 1HB GLN 18 1.816 -13.118 5.373 132 HB3 GLN 18 2HB GLN 18 0.889 -13.667 6.791 133 HG2 GLN 18 1HG GLN 18 2.290 -15.536 7.137 134 HG3 GLN 18 2HG GLN 18 2.996 -15.452 5.518 135 HE21 GLN 18 2HE2 GLN 18 4.912 -15.800 6.902 136 HE22 GLN 18 1HE2 GLN 18 5.595 -14.370 7.664 137 H CYS 19 H CYS 19 -0.516 -13.000 3.562 138 HA CYS 19 HA CYS 19 -3.106 -13.027 4.904 139 HB2 CYS 19 1HB CYS 19 -2.233 -11.720 2.284 140 HB3 CYS 19 2HB CYS 19 -3.772 -11.464 3.111 141 H LYS 20 H LYS 20 -1.862 -14.187 1.745 142 HA LYS 20 HA LYS 20 -4.333 -15.295 0.851 143 HB2 LYS 20 1HB LYS 20 -2.210 -14.706 -0.444 144 HB3 LYS 20 2HB LYS 20 -1.512 -16.207 0.148 145 HG2 LYS 20 1HG LYS 20 -3.498 -17.417 -0.911 146 HG3 LYS 20 2HG LYS 20 -3.985 -15.857 -1.554 147 HD2 LYS 20 1HD LYS 20 -2.728 -16.732 -3.349 148 HD3 LYS 20 2HD LYS 20 -1.492 -15.796 -2.495 149 HE2 LYS 20 1HE LYS 20 -0.342 -17.777 -2.515 150 HE3 LYS 20 2HE LYS 20 -1.355 -18.153 -1.099 151 HZ1 LYS 20 3HZ LYS 20 -1.458 -19.921 -2.648 152 HZ2 LYS 20 1HZ LYS 20 -2.924 -19.195 -2.626 153 HZ3 LYS 20 2HZ LYS 20 -1.922 -18.962 -3.908 154 H ASP 21 H ASP 21 -2.361 -16.271 3.439 155 HA ASP 21 HA ASP 21 -3.191 -19.070 3.297 156 HB2 ASP 21 1HB ASP 21 -0.775 -18.721 3.411 157 HB3 ASP 21 2HB ASP 21 -0.970 -17.670 4.825 158 H GLU 22 H GLU 22 -2.698 -16.531 5.793 159 HA GLU 22 HA GLU 22 -4.365 -17.718 7.750 160 HB2 GLU 22 1HB GLU 22 -3.664 -14.778 7.240 161 HB3 GLU 22 2HB GLU 22 -4.575 -15.366 8.625 162 HG2 GLU 22 1HG GLU 22 -2.578 -16.951 9.038 163 HG3 GLU 22 2HG GLU 22 -1.660 -15.920 7.950 164 H LEU 23 H LEU 23 -5.044 -15.591 4.973 165 HA LEU 23 HA LEU 23 -7.935 -15.517 5.852 166 HG LEU 23 HG LEU 23 -5.886 -13.101 6.043 167 HB2 LEU 23 1HB LEU 23 -6.643 -13.846 3.694 168 HB3 LEU 23 2HB LEU 23 -8.262 -13.763 4.287 169 HD11 LEU 23 1HD1 LEU 23 -6.504 -10.740 5.623 170 HD12 LEU 23 2HD1 LEU 23 -5.993 -11.550 4.134 171 HD13 LEU 23 3HD1 LEU 23 -7.720 -11.260 4.437 172 HD21 LEU 23 3HD2 LEU 23 -7.683 -11.946 7.374 173 HD22 LEU 23 1HD2 LEU 23 -8.907 -12.646 6.296 174 HD23 LEU 23 2HD2 LEU 23 -7.896 -13.701 7.304 175 H SER 24 H SER 24 -5.853 -17.137 3.631 176 HA SER 24 HA SER 24 -6.307 -18.493 1.851 177 HG SER 24 HG SER 24 -7.009 -20.597 2.995 178 HB2 SER 24 1HB SER 24 -8.289 -19.018 3.769 179 HB3 SER 24 2HB SER 24 -9.176 -18.924 2.253 180 H LEU 25 H LEU 25 -6.187 -15.803 1.214 181 HA LEU 25 HA LEU 25 -8.499 -14.904 -0.226 182 HG LEU 25 HG LEU 25 -6.065 -12.940 1.533 183 HB2 LEU 25 1HB LEU 25 -5.588 -13.941 -0.507 184 HB3 LEU 25 2HB LEU 25 -6.970 -13.191 -1.244 185 HD11 LEU 25 1HD1 LEU 25 -6.021 -11.261 -0.263 186 HD12 LEU 25 2HD1 LEU 25 -7.783 -11.230 -0.278 187 HD13 LEU 25 3HD1 LEU 25 -6.923 -10.752 1.199 188 HD21 LEU 25 3HD2 LEU 25 -9.055 -12.959 0.814 189 HD22 LEU 25 1HD2 LEU 25 -8.313 -14.041 1.984 190 HD23 LEU 25 2HD2 LEU 25 -8.378 -12.305 2.320 191 HA PRO 26 HA PRO 26 -8.032 -17.632 -3.675 192 HB2 PRO 26 1HB PRO 26 -9.694 -16.420 -5.529 193 HB3 PRO 26 2HB PRO 26 -10.257 -17.423 -4.187 194 HG2 PRO 26 1HG PRO 26 -10.188 -14.450 -4.390 195 HG3 PRO 26 2HG PRO 26 -11.435 -15.474 -3.627 196 HD2 PRO 26 1HD PRO 26 -9.485 -14.132 -2.193 197 HD3 PRO 26 2HD PRO 26 -10.212 -15.666 -1.657 198 H ASP 27 H ASP 27 -7.167 -17.645 -5.881 199 HA ASP 27 HA ASP 27 -4.963 -15.792 -6.002 200 HB2 ASP 27 1HB ASP 27 -5.114 -18.289 -6.683 201 HB3 ASP 27 2HB ASP 27 -5.617 -17.673 -8.257 202 H SER 28 H SER 28 -8.104 -15.690 -7.262 203 HA SER 28 HA SER 28 -7.732 -13.884 -9.507 204 HG SER 28 HG SER 28 -11.229 -14.636 -7.555 205 HB2 SER 28 1HB SER 28 -10.162 -13.341 -8.939 206 HB3 SER 28 2HB SER 28 -9.831 -15.000 -9.452 207 H VAL 29 H VAL 29 -8.711 -13.581 -6.073 208 HA VAL 29 HA VAL 29 -8.582 -10.714 -6.086 209 HB VAL 29 HB VAL 29 -8.769 -12.824 -3.912 210 HG11 VAL 29 1HG1 VAL 29 -8.796 -9.828 -3.510 211 HG12 VAL 29 2HG1 VAL 29 -9.395 -11.020 -2.334 212 HG13 VAL 29 3HG1 VAL 29 -7.699 -11.020 -2.770 213 HG21 VAL 29 3HG2 VAL 29 -10.755 -12.425 -5.425 214 HG22 VAL 29 1HG2 VAL 29 -11.088 -12.010 -3.737 215 HG23 VAL 29 2HG2 VAL 29 -10.757 -10.730 -4.924 216 H VAL 30 H VAL 30 -6.153 -13.191 -5.244 217 HA VAL 30 HA VAL 30 -4.185 -11.365 -4.203 218 HB VAL 30 HB VAL 30 -3.969 -14.054 -5.587 219 HG11 VAL 30 1HG1 VAL 30 -1.806 -13.131 -5.861 220 HG12 VAL 30 2HG1 VAL 30 -1.793 -12.472 -4.211 221 HG13 VAL 30 3HG1 VAL 30 -1.703 -14.227 -4.481 222 HG21 VAL 30 3HG2 VAL 30 -4.337 -15.061 -3.624 223 HG22 VAL 30 1HG2 VAL 30 -3.340 -13.928 -2.694 224 HG23 VAL 30 2HG2 VAL 30 -5.028 -13.543 -3.075 225 H ALA 31 H ALA 31 -4.732 -12.737 -7.518 226 HA ALA 31 HA ALA 31 -2.459 -11.337 -8.629 227 HB1 ALA 31 1HB ALA 31 -3.406 -11.991 -10.772 228 HB2 ALA 31 2HB ALA 31 -3.422 -13.380 -9.664 229 HB3 ALA 31 3HB ALA 31 -4.930 -12.481 -10.000 230 H ASP 32 H ASP 32 -5.947 -10.672 -8.340 231 HA ASP 32 HA ASP 32 -5.934 -8.358 -9.945 232 HB2 ASP 32 1HB ASP 32 -7.713 -9.109 -7.571 233 HB3 ASP 32 2HB ASP 32 -7.987 -7.674 -8.558 234 H LEU 33 H LEU 33 -5.093 -8.835 -6.505 235 HA LEU 33 HA LEU 33 -4.809 -6.056 -5.904 236 HG LEU 33 HG LEU 33 -5.277 -7.340 -2.832 237 HB2 LEU 33 1HB LEU 33 -4.517 -8.535 -4.508 238 HB3 LEU 33 2HB LEU 33 -2.959 -7.815 -4.432 239 HD11 LEU 33 1HD1 LEU 33 -2.530 -6.044 -2.747 240 HD12 LEU 33 2HD1 LEU 33 -3.682 -6.153 -1.402 241 HD13 LEU 33 3HD1 LEU 33 -2.956 -7.632 -2.050 242 HD21 LEU 33 3HD2 LEU 33 -4.284 -4.719 -3.996 243 HD22 LEU 33 1HD2 LEU 33 -5.904 -5.436 -4.214 244 HD23 LEU 33 2HD2 LEU 33 -5.380 -4.949 -2.607 245 H TYR 34 H TYR 34 -2.454 -8.512 -7.048 246 HA TYR 34 HA TYR 34 -0.172 -6.761 -7.167 247 HD1 TYR 34 HD2 TYR 34 -0.850 -10.438 -6.588 248 HD2 TYR 34 HD1 TYR 34 2.475 -8.316 -8.311 249 HE1 TYR 34 HE2 TYR 34 0.665 -11.636 -5.061 250 HE2 TYR 34 HE1 TYR 34 4.032 -9.616 -6.919 251 HH TYR 34 HH TYR 34 4.245 -11.432 -5.373 252 HB2 TYR 34 1HB TYR 34 -1.022 -9.183 -8.785 253 HB3 TYR 34 2HB TYR 34 0.325 -8.211 -9.317 254 H ASN 35 H ASN 35 -2.890 -7.280 -9.408 255 HA ASN 35 HA ASN 35 -1.869 -5.548 -11.468 256 HB2 ASN 35 1HB ASN 35 -4.369 -7.057 -10.936 257 HB3 ASN 35 2HB ASN 35 -4.483 -5.733 -12.118 258 HD21 ASN 35 2HD2 ASN 35 -3.998 -8.996 -11.822 259 HD22 ASN 35 1HD2 ASN 35 -3.124 -9.274 -13.311 260 H PHE 36 H PHE 36 -3.760 -4.958 -8.560 261 HA PHE 36 HA PHE 36 -5.144 -2.683 -9.290 262 HD1 PHE 36 HD1 PHE 36 -7.337 -2.154 -7.469 263 HD2 PHE 36 HD2 PHE 36 -3.605 -1.278 -5.552 264 HE1 PHE 36 HE1 PHE 36 -8.304 -0.064 -6.498 265 HE2 PHE 36 HE2 PHE 36 -4.567 0.763 -4.557 266 HZ PHE 36 HZ PHE 36 -6.924 1.343 -4.976 267 HB2 PHE 36 1HB PHE 36 -5.388 -3.939 -7.116 268 HB3 PHE 36 2HB PHE 36 -3.849 -3.309 -6.606 269 H TRP 37 H TRP 37 -1.872 -2.768 -7.814 270 HA TRP 37 HA TRP 37 -1.455 0.052 -8.363 271 HD1 TRP 37 HD1 TRP 37 0.131 -3.897 -6.605 272 HE1 TRP 37 HE1 TRP 37 -0.874 -4.537 -4.381 273 HE3 TRP 37 HE3 TRP 37 -1.370 0.750 -5.031 274 HZ2 TRP 37 HZ2 TRP 37 -2.407 -3.255 -2.266 275 HZ3 TRP 37 HZ3 TRP 37 -2.529 1.006 -2.859 276 HH2 TRP 37 HH2 TRP 37 -3.073 -0.988 -1.484 277 HB2 TRP 37 1HB TRP 37 0.862 -1.652 -7.659 278 HB3 TRP 37 2HB TRP 37 0.328 -0.133 -6.966 279 H LYS 38 H LYS 38 -1.601 -2.336 -10.614 280 HA LYS 38 HA LYS 38 1.080 -2.237 -11.692 281 HB2 LYS 38 1HB LYS 38 -0.385 -4.192 -11.912 282 HB3 LYS 38 2HB LYS 38 -1.352 -3.291 -13.103 283 HG2 LYS 38 1HG LYS 38 0.424 -3.257 -14.662 284 HG3 LYS 38 2HG LYS 38 1.667 -3.433 -13.437 285 HD2 LYS 38 1HD LYS 38 -0.149 -5.707 -14.309 286 HD3 LYS 38 2HD LYS 38 1.457 -5.356 -14.951 287 HE2 LYS 38 1HE LYS 38 2.074 -5.417 -12.312 288 HE3 LYS 38 2HE LYS 38 0.695 -6.523 -12.281 289 HZ1 LYS 38 3HZ LYS 38 2.782 -7.694 -12.657 290 HZ2 LYS 38 1HZ LYS 38 1.903 -7.783 -14.058 291 HZ3 LYS 38 2HZ LYS 38 3.162 -6.716 -13.892 292 H ASP 39 H ASP 39 -2.058 -0.884 -12.892 293 HA ASP 39 HA ASP 39 -0.610 1.598 -13.233 294 HB2 ASP 39 1HB ASP 39 -0.278 0.530 -15.475 295 HB3 ASP 39 2HB ASP 39 -2.020 0.531 -15.711 296 H ASP 40 H ASP 40 -3.819 0.303 -14.483 297 HA ASP 40 HA ASP 40 -5.102 2.394 -12.827 298 HB2 ASP 40 1HB ASP 40 -6.070 3.507 -14.612 299 HB3 ASP 40 2HB ASP 40 -4.349 3.430 -14.958 300 H TYR 41 H TYR 41 -5.634 0.452 -11.717 301 HA TYR 41 HA TYR 41 -8.051 -0.851 -12.874 302 HD1 TYR 41 HD2 TYR 41 -7.276 -2.803 -9.351 303 HD2 TYR 41 HD1 TYR 41 -7.832 -3.912 -13.431 304 HE1 TYR 41 HE2 TYR 41 -8.662 -4.677 -8.620 305 HE2 TYR 41 HE1 TYR 41 -9.544 -5.619 -12.756 306 HH TYR 41 HH TYR 41 -10.419 -6.803 -10.943 307 HB2 TYR 41 1HB TYR 41 -6.126 -2.361 -12.821 308 HB3 TYR 41 2HB TYR 41 -5.813 -1.956 -11.144 309 H VAL 42 H VAL 42 -9.829 -0.953 -11.536 310 HA VAL 42 HA VAL 42 -9.599 0.101 -8.771 311 HB VAL 42 HB VAL 42 -11.529 0.746 -10.941 312 HG11 VAL 42 1HG1 VAL 42 -12.492 0.278 -8.133 313 HG12 VAL 42 2HG1 VAL 42 -13.277 1.404 -9.262 314 HG13 VAL 42 3HG1 VAL 42 -13.169 -0.316 -9.649 315 HG21 VAL 42 3HG2 VAL 42 -9.875 2.330 -10.152 316 HG22 VAL 42 1HG2 VAL 42 -11.519 2.894 -9.835 317 HG23 VAL 42 2HG2 VAL 42 -10.545 2.244 -8.506 318 H MET 43 H MET 43 -9.532 -1.531 -7.519 319 HA MET 43 HA MET 43 -10.713 -4.136 -8.134 320 HB2 MET 43 1HB MET 43 -10.014 -4.683 -5.811 321 HB3 MET 43 2HB MET 43 -8.650 -4.049 -6.717 322 HG2 MET 43 1HG MET 43 -8.325 -2.450 -5.277 323 HG3 MET 43 2HG MET 43 -9.913 -1.792 -5.540 324 HE1 MET 43 3HE MET 43 -8.061 -4.014 -2.136 325 HE2 MET 43 1HE MET 43 -7.596 -4.113 -3.869 326 HE3 MET 43 2HE MET 43 -7.582 -2.550 -3.026 327 H THR 44 H THR 44 -12.418 -5.042 -6.946 328 HA THR 44 HA THR 44 -14.168 -3.113 -5.516 329 HB THR 44 HB THR 44 -16.055 -4.460 -6.839 330 HG1 THR 44 1HG THR 44 -14.694 -5.766 -8.070 331 HG21 THR 44 3HG2 THR 44 -14.408 -2.215 -8.108 332 HG22 THR 44 1HG2 THR 44 -16.069 -2.667 -8.522 333 HG23 THR 44 2HG2 THR 44 -15.723 -2.013 -6.917 334 H ASP 45 H ASP 45 -12.742 -6.328 -5.569 335 HA ASP 45 HA ASP 45 -14.823 -7.365 -3.846 336 HB2 ASP 45 1HB ASP 45 -13.139 -8.799 -5.230 337 HB3 ASP 45 2HB ASP 45 -12.080 -8.630 -3.836 338 H ARG 46 H ARG 46 -14.915 -7.444 -1.690 339 HA ARG 46 HA ARG 46 -13.298 -5.521 -0.234 340 HE ARG 46 HE ARG 46 -16.943 -9.728 1.929 341 HB2 ARG 46 1HB ARG 46 -14.502 -6.072 1.745 342 HB3 ARG 46 2HB ARG 46 -15.581 -5.879 0.375 343 HG2 ARG 46 1HG ARG 46 -15.226 -8.590 0.276 344 HG3 ARG 46 2HG ARG 46 -15.000 -8.288 2.020 345 HD2 ARG 46 1HD ARG 46 -17.177 -7.039 2.033 346 HD3 ARG 46 2HD ARG 46 -17.322 -7.376 0.290 347 HH11 ARG 46 2HH2 ARG 46 -19.338 -7.575 0.381 348 HH12 ARG 46 1HH2 ARG 46 -20.627 -8.742 0.477 349 HH21 ARG 46 2HH1 ARG 46 -18.639 -11.266 1.978 350 HH22 ARG 46 1HH1 ARG 46 -20.228 -10.888 1.405 351 H LEU 47 H LEU 47 -12.995 -9.023 -0.775 352 HA LEU 47 HA LEU 47 -11.123 -9.507 1.324 353 HG LEU 47 HG LEU 47 -13.250 -11.418 0.267 354 HB2 LEU 47 1HB LEU 47 -11.513 -10.799 -1.391 355 HB3 LEU 47 2HB LEU 47 -10.269 -11.313 -0.252 356 HD11 LEU 47 1HD1 LEU 47 -12.860 -13.860 0.145 357 HD12 LEU 47 2HD1 LEU 47 -12.422 -13.056 -1.379 358 HD13 LEU 47 3HD1 LEU 47 -11.153 -13.566 -0.235 359 HD21 LEU 47 3HD2 LEU 47 -10.882 -12.286 1.978 360 HD22 LEU 47 1HD2 LEU 47 -12.123 -11.075 2.403 361 HD23 LEU 47 2HD2 LEU 47 -12.568 -12.772 2.274 362 H ALA 48 H ALA 48 -10.697 -8.017 -1.940 363 HA ALA 48 HA ALA 48 -7.842 -8.175 -1.895 364 HB1 ALA 48 1HB ALA 48 -7.928 -6.378 -3.539 365 HB2 ALA 48 2HB ALA 48 -9.171 -7.579 -3.905 366 HB3 ALA 48 3HB ALA 48 -9.629 -6.050 -3.141 367 H GLY 49 H GLY 49 -10.105 -5.773 -0.492 368 HA2 GLY 49 1HA GLY 49 -8.068 -4.056 0.624 369 HA3 GLY 49 2HA GLY 49 -9.775 -4.112 1.106 370 H CYS 50 H CYS 50 -9.815 -6.950 1.840 371 HA CYS 50 HA CYS 50 -8.816 -6.801 4.509 372 HB2 CYS 50 1HB CYS 50 -9.435 -9.338 2.932 373 HB3 CYS 50 2HB CYS 50 -9.295 -9.170 4.666 374 H ALA 51 H ALA 51 -7.404 -8.246 1.501 375 HA ALA 51 HA ALA 51 -5.029 -9.200 2.654 376 HB1 ALA 51 1HB ALA 51 -4.465 -8.117 0.037 377 HB2 ALA 51 2HB ALA 51 -4.638 -9.809 0.551 378 HB3 ALA 51 3HB ALA 51 -6.050 -8.919 0.011 379 H ILE 52 H ILE 52 -5.799 -5.869 1.396 380 HA ILE 52 HA ILE 52 -3.265 -4.733 1.915 381 HB ILE 52 HB ILE 52 -5.983 -3.360 1.951 382 HG12 ILE 52 1HG1 ILE 52 -3.870 -3.523 -0.251 383 HG13 ILE 52 2HG1 ILE 52 -5.343 -4.473 -0.217 384 HG21 ILE 52 1HG2 ILE 52 -4.742 -1.247 1.649 385 HG22 ILE 52 2HG2 ILE 52 -4.236 -2.006 3.140 386 HG23 ILE 52 3HG2 ILE 52 -3.202 -2.129 1.702 387 HD11 ILE 52 3HD1 ILE 52 -6.712 -2.392 -0.354 388 HD12 ILE 52 1HD1 ILE 52 -5.219 -1.439 -0.498 389 HD13 ILE 52 2HD1 ILE 52 -5.626 -2.608 -1.742 390 H ASN 53 H ASN 53 -6.144 -4.704 4.189 391 HA ASN 53 HA ASN 53 -4.536 -3.465 6.206 392 HB2 ASN 53 1HB ASN 53 -6.261 -3.643 7.693 393 HB3 ASN 53 2HB ASN 53 -7.081 -3.567 6.149 394 HD21 ASN 53 2HD2 ASN 53 -8.889 -4.728 6.378 395 HD22 ASN 53 1HD2 ASN 53 -9.000 -6.354 7.052 396 H CYS 54 H CYS 54 -4.830 -6.831 5.309 397 HA CYS 54 HA CYS 54 -3.498 -7.919 7.634 398 HB2 CYS 54 1HB CYS 54 -4.971 -9.241 6.422 399 HB3 CYS 54 2HB CYS 54 -4.240 -8.873 4.863 400 H LEU 55 H LEU 55 -2.383 -6.218 4.857 401 HA LEU 55 HA LEU 55 0.438 -7.099 5.202 402 HG LEU 55 HG LEU 55 -1.100 -7.774 2.943 403 HB2 LEU 55 1HB LEU 55 -0.938 -5.177 3.275 404 HB3 LEU 55 2HB LEU 55 0.793 -5.406 3.311 405 HD11 LEU 55 1HD1 LEU 55 -0.770 -7.610 0.528 406 HD12 LEU 55 2HD1 LEU 55 -1.570 -6.155 1.133 407 HD13 LEU 55 3HD1 LEU 55 0.160 -6.111 0.743 408 HD21 LEU 55 3HD2 LEU 55 1.825 -7.282 2.310 409 HD22 LEU 55 1HD2 LEU 55 1.134 -8.380 3.541 410 HD23 LEU 55 2HD2 LEU 55 0.908 -8.714 1.819 411 H ALA 56 H ALA 56 -1.644 -4.377 5.895 412 HA ALA 56 HA ALA 56 0.295 -2.372 6.700 413 HB1 ALA 56 1HB ALA 56 -2.673 -2.775 7.399 414 HB2 ALA 56 2HB ALA 56 -1.787 -1.264 7.490 415 HB3 ALA 56 3HB ALA 56 -2.121 -1.998 5.900 416 H THR 57 H THR 57 -1.102 -5.136 8.316 417 HA THR 57 HA THR 57 -0.383 -4.181 10.974 418 HB THR 57 HB THR 57 -2.364 -5.504 10.643 419 HG1 THR 57 1HG THR 57 -1.877 -6.122 12.516 420 HG21 THR 57 3HG2 THR 57 -2.285 -7.840 9.989 421 HG22 THR 57 1HG2 THR 57 -1.686 -6.800 8.711 422 HG23 THR 57 2HG2 THR 57 -0.527 -7.720 9.691 423 H LYS 58 H LYS 58 1.318 -5.489 8.126 424 HA LYS 58 HA LYS 58 3.093 -7.015 9.870 425 HB2 LYS 58 1HB LYS 58 1.170 -7.882 8.048 426 HB3 LYS 58 2HB LYS 58 2.623 -7.919 7.074 427 HG2 LYS 58 1HG LYS 58 3.686 -9.433 8.670 428 HG3 LYS 58 2HG LYS 58 2.447 -9.115 9.871 429 HD2 LYS 58 1HD LYS 58 2.223 -11.339 8.772 430 HD3 LYS 58 2HD LYS 58 0.799 -10.313 8.710 431 HE2 LYS 58 1HE LYS 58 2.115 -9.760 6.315 432 HE3 LYS 58 2HE LYS 58 2.258 -11.501 6.554 433 HZ1 LYS 58 3HZ LYS 58 -0.161 -11.532 6.953 434 HZ2 LYS 58 1HZ LYS 58 -0.250 -9.949 6.581 435 HZ3 LYS 58 2HZ LYS 58 0.238 -11.018 5.422 436 H LEU 59 H LEU 59 3.606 -4.367 9.395 437 HA LEU 59 HA LEU 59 5.000 -3.828 7.000 438 HG LEU 59 HG LEU 59 3.996 -0.654 8.805 439 HB2 LEU 59 1HB LEU 59 5.674 -2.462 9.614 440 HB3 LEU 59 2HB LEU 59 5.815 -1.853 7.988 441 HD11 LEU 59 1HD1 LEU 59 3.297 -1.599 6.735 442 HD12 LEU 59 2HD1 LEU 59 2.472 -2.915 7.628 443 HD13 LEU 59 3HD1 LEU 59 1.991 -1.223 7.838 444 HD21 LEU 59 3HD2 LEU 59 3.838 -1.886 10.944 445 HD22 LEU 59 1HD2 LEU 59 2.277 -1.436 10.202 446 HD23 LEU 59 2HD2 LEU 59 2.822 -3.099 10.140 447 H ASP 60 H ASP 60 5.943 -5.531 9.829 448 HA ASP 60 HA ASP 60 8.828 -5.103 9.720 449 HB2 ASP 60 1HB ASP 60 8.778 -6.578 11.653 450 HB3 ASP 60 2HB ASP 60 7.481 -5.391 11.841 451 H VAL 61 H VAL 61 6.431 -7.126 8.249 452 HA VAL 61 HA VAL 61 8.457 -9.158 7.529 453 HB VAL 61 HB VAL 61 5.818 -9.443 8.379 454 HG11 VAL 61 1HG1 VAL 61 5.761 -10.047 5.528 455 HG12 VAL 61 2HG1 VAL 61 4.519 -10.397 6.746 456 HG13 VAL 61 3HG1 VAL 61 4.889 -8.707 6.390 457 HG21 VAL 61 3HG2 VAL 61 7.477 -11.274 6.589 458 HG22 VAL 61 1HG2 VAL 61 7.586 -11.263 8.371 459 HG23 VAL 61 2HG2 VAL 61 6.102 -11.843 7.556 460 H VAL 62 H VAL 62 6.029 -6.827 6.183 461 HA VAL 62 HA VAL 62 6.801 -7.192 3.474 462 HB VAL 62 HB VAL 62 5.942 -4.616 4.878 463 HG11 VAL 62 1HG1 VAL 62 7.083 -3.950 2.834 464 HG12 VAL 62 2HG1 VAL 62 6.248 -5.194 1.906 465 HG13 VAL 62 3HG1 VAL 62 5.352 -3.799 2.566 466 HG21 VAL 62 3HG2 VAL 62 4.153 -6.223 4.917 467 HG22 VAL 62 1HG2 VAL 62 3.810 -5.082 3.585 468 HG23 VAL 62 2HG2 VAL 62 4.456 -6.680 3.212 469 H ASP 63 H ASP 63 8.401 -5.172 6.012 470 HA ASP 63 HA ASP 63 10.815 -5.106 4.312 471 HB2 ASP 63 1HB ASP 63 9.611 -3.097 3.708 472 HB3 ASP 63 2HB ASP 63 9.385 -2.676 5.404 473 HA PRO 64 HA PRO 64 11.731 -5.855 8.740 474 HB2 PRO 64 1HB PRO 64 13.733 -7.710 8.462 475 HB3 PRO 64 2HB PRO 64 11.986 -8.085 8.414 476 HG2 PRO 64 1HG PRO 64 13.853 -7.622 6.089 477 HG3 PRO 64 2HG PRO 64 12.690 -8.963 6.317 478 HD2 PRO 64 1HD PRO 64 12.096 -6.778 4.802 479 HD3 PRO 64 2HD PRO 64 10.847 -7.566 5.813 480 H ASP 65 H ASP 65 13.274 -4.047 6.358 481 HA ASP 65 HA ASP 65 15.689 -3.281 7.828 482 HB2 ASP 65 1HB ASP 65 13.841 -1.700 6.007 483 HB3 ASP 65 2HB ASP 65 15.272 -1.061 6.778 484 H GLY 66 H GLY 66 12.186 -2.876 8.034 485 HA2 GLY 66 1HA GLY 66 10.906 -2.296 9.822 486 HA3 GLY 66 2HA GLY 66 12.360 -1.773 10.716 487 H ASN 67 H ASN 67 11.903 -0.682 7.306 488 HA ASN 67 HA ASN 67 11.914 2.032 8.343 489 HB2 ASN 67 1HB ASN 67 11.348 1.300 5.471 490 HB3 ASN 67 2HB ASN 67 11.879 2.839 6.142 491 HD21 ASN 67 2HD2 ASN 67 14.112 1.597 7.741 492 HD22 ASN 67 1HD2 ASN 67 15.280 1.152 6.478 493 H LEU 68 H LEU 68 9.777 -0.132 6.555 494 HA LEU 68 HA LEU 68 7.354 1.360 6.604 495 HG LEU 68 HG LEU 68 5.557 -1.770 5.900 496 HB2 LEU 68 1HB LEU 68 8.133 -0.753 5.281 497 HB3 LEU 68 2HB LEU 68 7.657 -1.670 6.645 498 HD11 LEU 68 1HD1 LEU 68 4.132 0.024 5.206 499 HD12 LEU 68 2HD1 LEU 68 4.857 0.397 6.771 500 HD13 LEU 68 3HD1 LEU 68 5.484 1.207 5.296 501 HD21 LEU 68 3HD2 LEU 68 5.086 -1.356 3.624 502 HD22 LEU 68 1HD2 LEU 68 6.413 -0.178 3.492 503 HD23 LEU 68 2HD2 LEU 68 6.770 -1.901 3.755 504 H HIS 69 H HIS 69 6.034 1.765 8.349 505 HA HIS 69 HA HIS 69 5.572 -0.117 10.449 506 HD1 HIS 69 HD1 HIS 69 6.058 -0.308 13.604 507 HD2 HIS 69 HD2 HIS 69 6.992 3.752 12.905 508 HE1 HIS 69 HE1 HIS 69 5.592 1.027 15.826 509 HE2 HIS 69 HE2 HIS 69 6.091 3.489 15.291 510 HB2 HIS 69 1HB HIS 69 7.572 0.366 11.448 511 HB3 HIS 69 2HB HIS 69 7.590 2.049 10.988 512 H HIS 70 H HIS 70 4.283 1.089 12.240 513 HA HIS 70 HA HIS 70 1.876 2.120 11.148 514 HD1 HIS 70 HD1 HIS 70 0.299 1.084 15.278 515 HD2 HIS 70 HD2 HIS 70 2.424 -0.370 11.931 516 HE1 HIS 70 HE1 HIS 70 -0.302 -1.388 15.032 517 HE2 HIS 70 HE2 HIS 70 1.003 -2.305 13.057 518 HB2 HIS 70 1HB HIS 70 2.991 2.383 13.977 519 HB3 HIS 70 2HB HIS 70 1.397 2.922 13.485 520 H GLY 71 H GLY 71 1.517 3.957 10.184 521 HA2 GLY 71 1HA GLY 71 1.573 6.084 9.484 522 HA3 GLY 71 2HA GLY 71 2.149 6.537 11.087 523 H ASN 72 H ASN 72 4.284 4.339 9.456 524 HA ASN 72 HA ASN 72 6.291 6.515 9.580 525 HB2 ASN 72 1HB ASN 72 6.089 4.197 10.981 526 HB3 ASN 72 2HB ASN 72 6.976 3.597 9.584 527 HD21 ASN 72 2HD2 ASN 72 9.204 4.073 9.449 528 HD22 ASN 72 1HD2 ASN 72 9.978 5.226 10.522 529 H ALA 73 H ALA 73 4.715 5.772 7.131 530 HA ALA 73 HA ALA 73 6.356 4.382 5.276 531 HB1 ALA 73 1HB ALA 73 4.956 5.745 3.617 532 HB2 ALA 73 2HB ALA 73 4.026 4.804 4.783 533 HB3 ALA 73 3HB ALA 73 4.255 6.563 5.027 534 H LYS 74 H LYS 74 7.056 7.340 6.848 535 HA LYS 74 HA LYS 74 8.113 8.925 4.705 536 HB2 LYS 74 1HB LYS 74 7.627 9.073 7.611 537 HB3 LYS 74 2HB LYS 74 9.232 9.646 7.204 538 HG2 LYS 74 1HG LYS 74 8.311 11.309 5.665 539 HG3 LYS 74 2HG LYS 74 6.681 10.634 5.872 540 HD2 LYS 74 1HD LYS 74 6.646 12.473 7.271 541 HD3 LYS 74 2HD LYS 74 6.994 11.131 8.380 542 HE2 LYS 74 1HE LYS 74 9.449 11.724 8.233 543 HE3 LYS 74 2HE LYS 74 9.027 13.077 7.171 544 HZ1 LYS 74 3HZ LYS 74 9.309 13.826 9.445 545 HZ2 LYS 74 1HZ LYS 74 7.720 13.997 9.078 546 HZ3 LYS 74 2HZ LYS 74 8.232 12.747 9.994 547 H ASP 75 H ASP 75 9.563 6.980 7.399 548 HA ASP 75 HA ASP 75 12.209 7.214 6.461 549 HB2 ASP 75 1HB ASP 75 11.229 6.188 8.693 550 HB3 ASP 75 2HB ASP 75 11.275 4.670 7.819 551 H PHE 76 H PHE 76 9.621 4.865 5.677 552 HA PHE 76 HA PHE 76 11.218 3.132 4.084 553 HD1 PHE 76 HD1 PHE 76 10.138 0.595 3.886 554 HD2 PHE 76 HD2 PHE 76 7.338 3.268 1.940 555 HE1 PHE 76 HE1 PHE 76 9.603 -1.148 2.258 556 HE2 PHE 76 HE2 PHE 76 6.825 1.503 0.319 557 HZ PHE 76 HZ PHE 76 7.917 -0.708 0.454 558 HB2 PHE 76 1HB PHE 76 8.990 2.625 5.066 559 HB3 PHE 76 2HB PHE 76 8.245 3.838 4.053 560 H ALA 77 H ALA 77 9.125 5.904 3.146 561 HA ALA 77 HA ALA 77 9.697 5.847 0.396 562 HB1 ALA 77 1HB ALA 77 8.703 8.082 0.401 563 HB2 ALA 77 2HB ALA 77 7.806 7.064 1.515 564 HB3 ALA 77 3HB ALA 77 8.976 8.242 2.148 565 H MET 78 H MET 78 11.359 7.537 3.080 566 HA MET 78 HA MET 78 13.183 9.056 1.526 567 HB2 MET 78 1HB MET 78 13.652 7.846 4.282 568 HB3 MET 78 2HB MET 78 14.652 9.049 3.481 569 HG2 MET 78 1HG MET 78 12.143 10.227 3.381 570 HG3 MET 78 2HG MET 78 12.117 9.379 4.916 571 HE1 MET 78 3HE MET 78 12.728 13.149 5.761 572 HE2 MET 78 1HE MET 78 11.824 12.456 4.393 573 HE3 MET 78 2HE MET 78 11.646 11.752 6.017 574 H LYS 79 H LYS 79 13.380 5.751 2.825 575 HA LYS 79 HA LYS 79 16.098 5.303 1.946 576 HB2 LYS 79 1HB LYS 79 13.971 3.831 3.439 577 HB3 LYS 79 2HB LYS 79 14.934 2.763 2.445 578 HG2 LYS 79 1HG LYS 79 16.205 4.827 4.273 579 HG3 LYS 79 2HG LYS 79 15.780 3.197 4.817 580 HD2 LYS 79 1HD LYS 79 17.202 2.189 3.070 581 HD3 LYS 79 2HD LYS 79 17.609 3.794 2.445 582 HE2 LYS 79 1HE LYS 79 18.608 4.380 4.652 583 HE3 LYS 79 2HE LYS 79 18.291 2.721 5.210 584 HZ1 LYS 79 3HZ LYS 79 19.877 3.331 2.799 585 HZ2 LYS 79 1HZ LYS 79 20.584 3.200 4.256 586 HZ3 LYS 79 2HZ LYS 79 19.810 1.902 3.588 587 H HIS 80 H HIS 80 13.427 5.569 0.080 588 HA HIS 80 HA HIS 80 14.458 3.580 -1.905 589 HD1 HIS 80 HD1 HIS 80 12.420 1.020 -2.973 590 HD2 HIS 80 HD2 HIS 80 12.581 2.394 1.029 591 HE1 HIS 80 HE1 HIS 80 12.564 -1.068 -1.466 592 HE2 HIS 80 HE2 HIS 80 12.666 -0.160 1.009 593 HB2 HIS 80 1HB HIS 80 11.605 4.147 -1.074 594 HB3 HIS 80 2HB HIS 80 12.002 3.572 -2.678 595 H GLY 81 H GLY 81 12.524 6.656 -1.637 596 HA2 GLY 81 1HA GLY 81 14.072 8.059 -3.535 597 HA3 GLY 81 2HA GLY 81 12.873 7.143 -4.451 598 H ALA 82 H ALA 82 12.819 8.911 -1.321 599 HA ALA 82 HA ALA 82 11.107 10.980 -2.467 600 HB1 ALA 82 1HB ALA 82 9.527 9.293 -1.479 601 HB2 ALA 82 2HB ALA 82 10.408 9.455 0.073 602 HB3 ALA 82 3HB ALA 82 9.512 10.814 -0.575 603 H ASP 83 H ASP 83 10.868 12.705 -0.694 604 HA ASP 83 HA ASP 83 12.978 12.766 1.353 605 HB2 ASP 83 1HB ASP 83 12.225 15.099 -0.448 606 HB3 ASP 83 2HB ASP 83 13.260 15.208 0.943 607 H GLU 84 H GLU 84 12.200 14.628 2.920 608 HA GLU 84 HA GLU 84 9.803 13.870 4.043 609 HB2 GLU 84 1HB GLU 84 11.883 15.602 4.729 610 HB3 GLU 84 2HB GLU 84 10.508 16.712 4.559 611 HG2 GLU 84 1HG GLU 84 9.164 15.168 6.020 612 HG3 GLU 84 2HG GLU 84 10.604 14.159 6.185 613 H THR 85 H THR 85 10.113 16.335 1.632 614 HA THR 85 HA THR 85 7.419 17.395 1.901 615 HB THR 85 HB THR 85 9.522 17.400 -0.286 616 HG1 THR 85 1HG THR 85 9.588 18.686 1.801 617 HG21 THR 85 3HG2 THR 85 6.852 18.869 -0.284 618 HG22 THR 85 1HG2 THR 85 8.199 19.157 -1.422 619 HG23 THR 85 2HG2 THR 85 7.367 17.602 -1.427 620 H MET 86 H MET 86 8.979 15.053 -0.416 621 HA MET 86 HA MET 86 6.521 14.440 -1.754 622 HB2 MET 86 1HB MET 86 9.006 12.743 -1.419 623 HB3 MET 86 2HB MET 86 7.754 12.471 -2.602 624 HG2 MET 86 1HG MET 86 8.334 14.414 -3.856 625 HG3 MET 86 2HG MET 86 9.304 15.070 -2.539 626 HE1 MET 86 3HE MET 86 10.609 11.568 -5.255 627 HE2 MET 86 1HE MET 86 9.316 11.339 -4.059 628 HE3 MET 86 2HE MET 86 9.085 12.469 -5.419 629 H ALA 87 H ALA 87 8.169 13.039 1.085 630 HA ALA 87 HA ALA 87 6.422 10.769 1.379 631 HB1 ALA 87 1HB ALA 87 8.674 10.904 2.384 632 HB2 ALA 87 2HB ALA 87 8.125 12.237 3.434 633 HB3 ALA 87 3HB ALA 87 7.401 10.618 3.582 634 H GLN 88 H GLN 88 6.464 14.070 2.968 635 HA GLN 88 HA GLN 88 4.048 13.465 4.406 636 HB2 GLN 88 1HB GLN 88 5.719 14.927 5.298 637 HB3 GLN 88 2HB GLN 88 5.708 15.936 3.869 638 HG2 GLN 88 1HG GLN 88 4.587 17.058 5.683 639 HG3 GLN 88 2HG GLN 88 3.414 16.688 4.420 640 HE21 GLN 88 2HE2 GLN 88 1.635 15.410 4.954 641 HE22 GLN 88 1HE2 GLN 88 1.334 14.728 6.535 642 H GLN 89 H GLN 89 4.658 14.579 1.149 643 HA GLN 89 HA GLN 89 1.985 15.519 0.525 644 HB2 GLN 89 1HB GLN 89 3.978 14.153 -1.290 645 HB3 GLN 89 2HB GLN 89 2.419 14.818 -1.713 646 HG2 GLN 89 1HG GLN 89 3.658 16.933 -0.327 647 HG3 GLN 89 2HG GLN 89 4.929 16.167 -1.313 648 HE21 GLN 89 2HE2 GLN 89 4.936 16.421 -3.518 649 HE22 GLN 89 1HE2 GLN 89 3.692 17.342 -4.317 650 H LEU 90 H LEU 90 3.536 12.215 0.128 651 HA LEU 90 HA LEU 90 1.120 11.004 -0.710 652 HG LEU 90 HG LEU 90 4.425 10.592 -1.322 653 HB2 LEU 90 1HB LEU 90 3.531 9.742 0.661 654 HB3 LEU 90 2HB LEU 90 2.261 8.870 -0.180 655 HD11 LEU 90 1HD1 LEU 90 3.539 7.797 -2.036 656 HD12 LEU 90 2HD1 LEU 90 4.962 8.699 -2.638 657 HD13 LEU 90 3HD1 LEU 90 4.884 8.180 -0.947 658 HD21 LEU 90 3HD2 LEU 90 3.431 10.335 -3.579 659 HD22 LEU 90 1HD2 LEU 90 1.909 9.837 -2.796 660 HD23 LEU 90 2HD2 LEU 90 2.596 11.463 -2.514 661 H VAL 91 H VAL 91 2.599 11.132 2.602 662 HA VAL 91 HA VAL 91 0.552 9.601 3.750 663 HB VAL 91 HB VAL 91 2.827 10.583 4.705 664 HG11 VAL 91 1HG1 VAL 91 2.595 12.229 6.398 665 HG12 VAL 91 2HG1 VAL 91 2.017 12.892 4.854 666 HG13 VAL 91 3HG1 VAL 91 0.845 12.364 6.082 667 HG21 VAL 91 3HG2 VAL 91 0.372 9.984 6.424 668 HG22 VAL 91 1HG2 VAL 91 1.480 8.773 5.757 669 HG23 VAL 91 2HG2 VAL 91 2.053 9.928 6.981 670 H ASP 92 H ASP 92 0.655 13.058 2.976 671 HA ASP 92 HA ASP 92 -1.784 13.785 4.303 672 HB2 ASP 92 1HB ASP 92 -0.146 15.425 3.740 673 HB3 ASP 92 2HB ASP 92 -0.327 15.123 2.010 674 H ILE 93 H ILE 93 -1.129 12.450 1.075 675 HA ILE 93 HA ILE 93 -3.717 12.811 -0.061 676 HB ILE 93 HB ILE 93 -1.831 10.441 -0.423 677 HG12 ILE 93 1HG1 ILE 93 -0.946 12.793 -1.065 678 HG13 ILE 93 2HG1 ILE 93 -0.753 11.453 -2.178 679 HG21 ILE 93 1HG2 ILE 93 -4.252 11.277 -1.979 680 HG22 ILE 93 2HG2 ILE 93 -3.015 10.217 -2.679 681 HG23 ILE 93 3HG2 ILE 93 -3.917 9.716 -1.229 682 HD11 ILE 93 3HD1 ILE 93 -2.383 12.291 -3.649 683 HD12 ILE 93 1HD1 ILE 93 -3.110 13.324 -2.362 684 HD13 ILE 93 2HD1 ILE 93 -1.568 13.757 -3.068 685 H ILE 94 H ILE 94 -2.416 10.221 1.970 686 HA ILE 94 HA ILE 94 -4.977 8.761 1.889 687 HB ILE 94 HB ILE 94 -2.744 7.631 1.826 688 HG12 ILE 94 1HG1 ILE 94 -3.578 6.010 3.869 689 HG13 ILE 94 2HG1 ILE 94 -5.056 6.929 3.557 690 HG21 ILE 94 1HG2 ILE 94 -1.523 7.128 3.856 691 HG22 ILE 94 2HG2 ILE 94 -1.438 8.819 3.400 692 HG23 ILE 94 3HG2 ILE 94 -2.485 8.314 4.756 693 HD11 ILE 94 3HD1 ILE 94 -4.854 6.278 1.139 694 HD12 ILE 94 1HD1 ILE 94 -3.404 5.321 1.554 695 HD13 ILE 94 2HD1 ILE 94 -4.981 4.905 2.251 696 H HIS 95 H HIS 95 -3.158 10.816 4.197 697 HA HIS 95 HA HIS 95 -5.084 10.533 6.319 698 HD1 HIS 95 HD1 HIS 95 -2.651 13.249 8.764 699 HD2 HIS 95 HD2 HIS 95 -2.930 9.424 7.000 700 HE1 HIS 95 HE1 HIS 95 -1.844 11.547 10.536 701 HE2 HIS 95 HE2 HIS 95 -2.133 9.212 9.465 702 HB2 HIS 95 1HB HIS 95 -2.936 12.575 5.606 703 HB3 HIS 95 2HB HIS 95 -4.165 13.047 6.732 704 H GLY 96 H GLY 96 -5.175 12.340 3.295 705 HA2 GLY 96 1HA GLY 96 -7.311 14.141 4.118 706 HA3 GLY 96 2HA GLY 96 -6.900 13.664 2.450 707 H CYS 97 H CYS 97 -7.231 11.221 2.117 708 HA CYS 97 HA CYS 97 -10.067 10.988 2.127 709 HB2 CYS 97 1HB CYS 97 -7.789 9.834 0.756 710 HB3 CYS 97 2HB CYS 97 -8.978 8.588 1.115 711 H GLU 98 H GLU 98 -7.691 9.389 4.243 712 HA GLU 98 HA GLU 98 -9.392 7.305 5.114 713 HB2 GLU 98 1HB GLU 98 -7.822 6.817 6.729 714 HB3 GLU 98 2HB GLU 98 -6.896 7.537 5.417 715 HG2 GLU 98 1HG GLU 98 -5.891 8.546 7.030 716 HG3 GLU 98 2HG GLU 98 -7.126 9.741 6.678 717 H LYS 99 H LYS 99 -8.947 10.620 6.224 718 HA LYS 99 HA LYS 99 -10.937 10.450 8.342 719 HB2 LYS 99 1HB LYS 99 -9.249 12.604 7.110 720 HB3 LYS 99 2HB LYS 99 -10.685 13.078 8.003 721 HG2 LYS 99 1HG LYS 99 -9.786 12.604 10.028 722 HG3 LYS 99 2HG LYS 99 -9.176 11.038 9.497 723 HD2 LYS 99 1HD LYS 99 -7.331 12.447 10.206 724 HD3 LYS 99 2HD LYS 99 -7.240 12.036 8.491 725 HE2 LYS 99 1HE LYS 99 -8.625 14.378 8.321 726 HE3 LYS 99 2HE LYS 99 -7.764 14.698 9.826 727 HZ1 LYS 99 3HZ LYS 99 -6.688 15.409 7.717 728 HZ2 LYS 99 1HZ LYS 99 -5.692 14.467 8.639 729 HZ3 LYS 99 2HZ LYS 99 -6.492 13.856 7.307 730 H SER 100 H SER 100 -10.872 12.040 5.074 731 HA SER 100 HA SER 100 -13.646 12.662 5.229 732 HG SER 100 HG SER 100 -13.800 14.440 4.018 733 HB2 SER 100 1HB SER 100 -11.416 13.044 3.300 734 HB3 SER 100 2HB SER 100 -12.996 12.885 2.554 735 H ALA 101 H ALA 101 -12.537 9.577 4.982 736 HA ALA 101 HA ALA 101 -13.542 8.430 2.827 737 HB1 ALA 101 1HB ALA 101 -13.754 6.364 4.158 738 HB2 ALA 101 2HB ALA 101 -12.298 7.255 4.614 739 HB3 ALA 101 3HB ALA 101 -13.742 7.310 5.657 740 HA PRO 102 HA PRO 102 -17.980 8.753 2.931 741 HB2 PRO 102 1HB PRO 102 -18.683 6.672 1.305 742 HB3 PRO 102 2HB PRO 102 -17.905 8.160 0.699 743 HG2 PRO 102 1HG PRO 102 -16.590 5.513 1.370 744 HG3 PRO 102 2HG PRO 102 -16.375 6.510 -0.111 745 HD2 PRO 102 1HD PRO 102 -14.667 6.563 2.025 746 HD3 PRO 102 2HD PRO 102 -14.975 8.034 1.076 747 HA PRO 103 HA PRO 103 -18.858 6.434 6.422 748 HB2 PRO 103 1HB PRO 103 -21.596 6.287 6.577 749 HB3 PRO 103 2HB PRO 103 -20.661 7.796 6.752 750 HG2 PRO 103 1HG PRO 103 -22.041 6.738 4.267 751 HG3 PRO 103 2HG PRO 103 -22.093 8.397 4.949 752 HD2 PRO 103 1HD PRO 103 -20.426 7.715 2.905 753 HD3 PRO 103 2HD PRO 103 -19.927 8.889 4.165 754 H ASN 104 H ASN 104 -17.946 4.487 6.176 755 HA ASN 104 HA ASN 104 -19.602 2.196 6.491 756 HB2 ASN 104 1HB ASN 104 -19.694 2.091 4.030 757 HB3 ASN 104 2HB ASN 104 -17.925 2.251 3.947 758 HD21 ASN 104 2HD2 ASN 104 -17.510 0.232 2.990 759 HD22 ASN 104 1HD2 ASN 104 -17.785 -1.280 3.890 760 H ASP 105 H ASP 105 -18.360 2.216 8.437 761 HA ASP 105 HA ASP 105 -15.442 2.426 8.380 762 HB2 ASP 105 1HB ASP 105 -17.292 1.887 10.745 763 HB3 ASP 105 2HB ASP 105 -15.545 2.174 10.763 764 H ASP 106 H ASP 106 -14.680 0.642 7.372 765 HA ASP 106 HA ASP 106 -15.247 -2.071 8.435 766 HB2 ASP 106 1HB ASP 106 -16.783 -1.504 6.539 767 HB3 ASP 106 2HB ASP 106 -15.385 -1.171 5.549 768 H LYS 107 H LYS 107 -13.360 -3.357 8.420 769 HA LYS 107 HA LYS 107 -10.848 -2.010 8.338 770 HB2 LYS 107 1HB LYS 107 -9.914 -4.118 8.952 771 HB3 LYS 107 2HB LYS 107 -11.379 -3.685 9.795 772 HG2 LYS 107 1HG LYS 107 -12.663 -5.242 8.284 773 HG3 LYS 107 2HG LYS 107 -11.080 -5.884 7.833 774 HD2 LYS 107 1HD LYS 107 -11.854 -5.528 10.729 775 HD3 LYS 107 2HD LYS 107 -12.426 -6.937 9.836 776 HE2 LYS 107 1HE LYS 107 -10.122 -7.593 9.305 777 HE3 LYS 107 2HE LYS 107 -9.480 -6.150 10.093 778 HZ1 LYS 107 3HZ LYS 107 -10.942 -8.334 11.489 779 HZ2 LYS 107 1HZ LYS 107 -9.322 -8.109 11.483 780 HZ3 LYS 107 2HZ LYS 107 -10.303 -6.993 12.187 781 H CYS 108 H CYS 108 -12.732 -3.790 6.146 782 HA CYS 108 HA CYS 108 -10.444 -4.108 4.351 783 HB2 CYS 108 1HB CYS 108 -13.153 -5.317 3.911 784 HB3 CYS 108 2HB CYS 108 -11.678 -5.623 3.024 785 H MET 109 H MET 109 -13.812 -2.908 4.396 786 HA MET 109 HA MET 109 -13.490 -1.957 1.683 787 HB2 MET 109 1HB MET 109 -15.815 -1.764 3.570 788 HB3 MET 109 2HB MET 109 -15.852 -1.186 1.909 789 HG2 MET 109 1HG MET 109 -14.848 -3.867 1.856 790 HG3 MET 109 2HG MET 109 -16.258 -3.854 2.911 791 HE1 MET 109 3HE MET 109 -14.931 -3.521 -0.816 792 HE2 MET 109 1HE MET 109 -16.248 -2.595 -1.563 793 HE3 MET 109 2HE MET 109 -15.233 -1.838 -0.323 794 H LYS 110 H LYS 110 -13.571 -0.193 4.860 795 HA LYS 110 HA LYS 110 -13.660 2.418 3.597 796 HB2 LYS 110 1HB LYS 110 -14.049 2.329 6.018 797 HB3 LYS 110 2HB LYS 110 -12.491 1.529 6.271 798 HG2 LYS 110 1HG LYS 110 -11.303 3.525 5.387 799 HG3 LYS 110 2HG LYS 110 -12.836 4.371 5.248 800 HD2 LYS 110 1HD LYS 110 -11.728 3.266 7.872 801 HD3 LYS 110 2HD LYS 110 -11.318 4.856 7.229 802 HE2 LYS 110 1HE LYS 110 -13.819 5.361 7.159 803 HE3 LYS 110 2HE LYS 110 -14.062 3.906 8.156 804 HZ1 LYS 110 3HZ LYS 110 -12.722 4.894 9.851 805 HZ2 LYS 110 1HZ LYS 110 -12.297 6.181 8.918 806 HZ3 LYS 110 2HZ LYS 110 -13.843 5.968 9.429 807 H THR 111 H THR 111 -11.066 0.134 4.532 808 HA THR 111 HA THR 111 -8.857 1.596 3.625 809 HB THR 111 HB THR 111 -9.427 -1.385 3.720 810 HG1 THR 111 1HG THR 111 -8.097 0.373 5.504 811 HG21 THR 111 3HG2 THR 111 -7.561 -1.235 2.238 812 HG22 THR 111 1HG2 THR 111 -6.755 -0.039 3.270 813 HG23 THR 111 2HG2 THR 111 -6.966 -1.721 3.831 814 H ILE 112 H ILE 112 -10.959 -0.615 1.664 815 HA ILE 112 HA ILE 112 -9.577 -0.203 -0.723 816 HB ILE 112 HB ILE 112 -12.490 -0.832 -0.154 817 HG12 ILE 112 1HG1 ILE 112 -10.142 -2.435 -1.243 818 HG13 ILE 112 2HG1 ILE 112 -10.522 -2.339 0.408 819 HG21 ILE 112 1HG2 ILE 112 -11.199 -0.860 -2.922 820 HG22 ILE 112 2HG2 ILE 112 -12.803 -1.486 -2.514 821 HG23 ILE 112 3HG2 ILE 112 -12.498 0.236 -2.393 822 HD11 ILE 112 3HD1 ILE 112 -12.774 -3.327 0.017 823 HD12 ILE 112 1HD1 ILE 112 -12.366 -3.518 -1.707 824 HD13 ILE 112 2HD1 ILE 112 -11.451 -4.392 -0.484 825 H ASP 113 H ASP 113 -12.429 1.711 0.409 826 HA ASP 113 HA ASP 113 -12.601 3.427 -1.778 827 HB2 ASP 113 1HB ASP 113 -13.498 3.450 1.076 828 HB3 ASP 113 2HB ASP 113 -13.432 5.020 0.285 829 H VAL 114 H VAL 114 -10.849 3.928 1.293 830 HA VAL 114 HA VAL 114 -9.674 6.414 0.685 831 HB VAL 114 HB VAL 114 -8.838 4.141 2.532 832 HG11 VAL 114 1HG1 VAL 114 -8.047 7.104 2.688 833 HG12 VAL 114 2HG1 VAL 114 -7.630 5.849 3.866 834 HG13 VAL 114 3HG1 VAL 114 -6.983 5.777 2.230 835 HG21 VAL 114 3HG2 VAL 114 -10.384 6.665 3.205 836 HG22 VAL 114 1HG2 VAL 114 -11.156 5.117 2.962 837 HG23 VAL 114 2HG2 VAL 114 -10.007 5.314 4.290 838 H ALA 115 H ALA 115 -8.486 3.050 0.071 839 HA ALA 115 HA ALA 115 -5.916 3.848 -0.885 840 HB1 ALA 115 1HB ALA 115 -7.491 1.262 -1.302 841 HB2 ALA 115 2HB ALA 115 -5.758 1.498 -1.657 842 HB3 ALA 115 3HB ALA 115 -6.365 1.610 0.005 843 H MET 116 H MET 116 -9.027 3.278 -2.613 844 HA MET 116 HA MET 116 -7.695 3.543 -5.228 845 HB2 MET 116 1HB MET 116 -9.938 3.600 -6.211 846 HB3 MET 116 2HB MET 116 -9.618 2.185 -5.224 847 HG2 MET 116 1HG MET 116 -10.974 3.085 -3.412 848 HG3 MET 116 2HG MET 116 -11.222 4.583 -4.217 849 HE1 MET 116 3HE MET 116 -11.408 1.286 -6.510 850 HE2 MET 116 1HE MET 116 -11.586 0.682 -4.842 851 HE3 MET 116 2HE MET 116 -12.963 0.635 -5.967 852 H CYS 117 H CYS 117 -9.493 5.677 -2.997 853 HA CYS 117 HA CYS 117 -9.546 8.001 -4.546 854 HB2 CYS 117 1HB CYS 117 -10.583 8.094 -2.414 855 HB3 CYS 117 2HB CYS 117 -9.149 7.498 -1.579 856 H PHE 118 H PHE 118 -6.833 6.616 -2.600 857 HA PHE 118 HA PHE 118 -4.961 8.570 -2.891 858 HD1 PHE 118 HD1 PHE 118 -2.145 6.623 -4.388 859 HD2 PHE 118 HD2 PHE 118 -3.227 7.383 -0.298 860 HE1 PHE 118 HE1 PHE 118 0.202 7.280 -3.879 861 HE2 PHE 118 HE2 PHE 118 -0.880 8.022 0.208 862 HZ PHE 118 HZ PHE 118 0.829 8.019 -1.629 863 HB2 PHE 118 1HB PHE 118 -4.758 6.278 -1.707 864 HB3 PHE 118 2HB PHE 118 -4.242 5.638 -3.252 865 H LYS 119 H LYS 119 -5.496 5.942 -5.293 866 HA LYS 119 HA LYS 119 -3.496 6.694 -7.129 867 HB2 LYS 119 1HB LYS 119 -4.908 4.568 -7.123 868 HB3 LYS 119 2HB LYS 119 -6.165 5.516 -7.944 869 HG2 LYS 119 1HG LYS 119 -4.348 6.130 -9.677 870 HG3 LYS 119 2HG LYS 119 -3.322 4.922 -8.908 871 HD2 LYS 119 1HD LYS 119 -6.053 4.415 -10.136 872 HD3 LYS 119 2HD LYS 119 -4.535 4.151 -10.979 873 HE2 LYS 119 1HE LYS 119 -5.202 2.744 -8.354 874 HE3 LYS 119 2HE LYS 119 -5.714 2.114 -9.913 875 HZ1 LYS 119 3HZ LYS 119 -2.916 2.483 -9.048 876 HZ2 LYS 119 1HZ LYS 119 -3.691 1.084 -9.408 877 HZ3 LYS 119 2HZ LYS 119 -3.342 2.174 -10.586 878 H LYS 120 H LYS 120 -6.846 7.908 -6.771 879 HA LYS 120 HA LYS 120 -6.707 9.567 -9.151 880 HB2 LYS 120 1HB LYS 120 -8.569 9.735 -6.749 881 HB3 LYS 120 2HB LYS 120 -8.761 10.570 -8.289 882 HG2 LYS 120 1HG LYS 120 -8.630 7.510 -8.127 883 HG3 LYS 120 2HG LYS 120 -10.135 8.377 -7.885 884 HD2 LYS 120 1HD LYS 120 -8.443 8.921 -10.346 885 HD3 LYS 120 2HD LYS 120 -9.541 7.543 -10.299 886 HE2 LYS 120 1HE LYS 120 -11.448 8.817 -10.210 887 HE3 LYS 120 2HE LYS 120 -10.666 10.140 -9.336 888 HZ1 LYS 120 3HZ LYS 120 -11.266 10.626 -11.686 889 HZ2 LYS 120 1HZ LYS 120 -9.741 10.977 -11.272 890 HZ3 LYS 120 2HZ LYS 120 -10.061 9.624 -12.174 891 H GLU 121 H GLU 121 -6.226 10.191 -5.617 892 HA GLU 121 HA GLU 121 -5.789 13.020 -6.054 893 HB2 GLU 121 1HB GLU 121 -5.410 11.084 -3.792 894 HB3 GLU 121 2HB GLU 121 -4.769 12.720 -3.668 895 HG2 GLU 121 1HG GLU 121 -7.677 12.110 -4.239 896 HG3 GLU 121 2HG GLU 121 -7.020 12.357 -2.626 897 H ILE 122 H ILE 122 -3.626 10.234 -6.684 898 HA ILE 122 HA ILE 122 -1.242 11.715 -6.560 899 HB ILE 122 HB ILE 122 -2.034 9.606 -8.557 900 HG12 ILE 122 1HG1 ILE 122 -1.438 9.420 -5.656 901 HG13 ILE 122 2HG1 ILE 122 -2.392 8.415 -6.740 902 HG21 ILE 122 1HG2 ILE 122 0.077 10.810 -9.124 903 HG22 ILE 122 2HG2 ILE 122 0.750 10.254 -7.572 904 HG23 ILE 122 3HG2 ILE 122 0.286 9.102 -8.849 905 HD11 ILE 122 3HD1 ILE 122 -0.140 7.441 -7.544 906 HD12 ILE 122 1HD1 ILE 122 0.475 8.200 -6.039 907 HD13 ILE 122 2HD1 ILE 122 -0.783 6.976 -5.978 908 H HIS 123 H HIS 123 -4.013 12.045 -8.746 909 HA HIS 123 HA HIS 123 -2.797 13.427 -10.864 910 HD1 HIS 123 HD1 HIS 123 -7.168 13.224 -12.132 911 HD2 HIS 123 HD2 HIS 123 -4.210 10.687 -10.472 912 HE1 HIS 123 HE1 HIS 123 -7.589 10.901 -13.037 913 HE2 HIS 123 HE2 HIS 123 -5.719 9.369 -12.144 914 HB2 HIS 123 1HB HIS 123 -5.528 13.849 -9.559 915 HB3 HIS 123 2HB HIS 123 -5.013 14.469 -11.094 916 H LYS 124 H LYS 124 -3.708 14.497 -7.487 917 HA LYS 124 HA LYS 124 -3.110 17.275 -8.283 918 HB2 LYS 124 1HB LYS 124 -3.880 17.902 -6.043 919 HB3 LYS 124 2HB LYS 124 -5.080 17.135 -7.067 920 HG2 LYS 124 1HG LYS 124 -5.507 16.258 -4.991 921 HG3 LYS 124 2HG LYS 124 -4.673 14.986 -5.821 922 HD2 LYS 124 1HD LYS 124 -3.852 14.938 -3.676 923 HD3 LYS 124 2HD LYS 124 -2.534 15.760 -4.506 924 HE2 LYS 124 1HE LYS 124 -4.788 17.403 -3.411 925 HE3 LYS 124 2HE LYS 124 -3.824 16.572 -2.207 926 HZ1 LYS 124 3HZ LYS 124 -2.641 18.464 -4.185 927 HZ2 LYS 124 1HZ LYS 124 -3.117 18.836 -2.688 928 HZ3 LYS 124 2HZ LYS 124 -1.894 17.752 -2.885 929 H LEU 125 H LEU 125 -1.339 14.618 -7.132 930 HA LEU 125 HA LEU 125 0.694 16.237 -5.754 931 HG LEU 125 HG LEU 125 -0.611 13.548 -5.087 932 HB2 LEU 125 1HB LEU 125 0.895 13.528 -7.156 933 HB3 LEU 125 2HB LEU 125 2.127 14.249 -6.178 934 HD11 LEU 125 1HD1 LEU 125 0.450 11.639 -4.098 935 HD12 LEU 125 2HD1 LEU 125 0.676 11.592 -5.843 936 HD13 LEU 125 3HD1 LEU 125 2.035 12.099 -4.825 937 HD21 LEU 125 3HD2 LEU 125 0.691 13.766 -2.891 938 HD22 LEU 125 1HD2 LEU 125 2.015 14.466 -3.839 939 HD23 LEU 125 2HD2 LEU 125 0.437 15.288 -3.743 940 H ASN 126 H ASN 126 0.022 14.988 -8.970 941 HA ASN 126 HA ASN 126 0.530 15.635 -11.031 942 HB2 ASN 126 1HB ASN 126 2.456 17.777 -10.222 943 HB3 ASN 126 2HB ASN 126 1.473 17.658 -11.655 944 HD21 ASN 126 2HD2 ASN 126 -1.164 17.224 -10.082 945 HD22 ASN 126 1HD2 ASN 126 -1.302 18.702 -9.143 946 H TRP 127 H TRP 127 2.963 15.114 -8.770 947 HA TRP 127 HA TRP 127 4.912 14.113 -10.793 948 HD1 TRP 127 HD1 TRP 127 4.091 15.773 -6.787 949 HE1 TRP 127 HE1 TRP 127 4.025 14.782 -4.479 950 HE3 TRP 127 HE3 TRP 127 6.740 11.521 -7.727 951 HZ2 TRP 127 HZ2 TRP 127 5.069 12.492 -3.137 952 HZ3 TRP 127 HZ3 TRP 127 7.343 9.998 -5.848 953 HH2 TRP 127 HH2 TRP 127 6.482 10.421 -3.558 954 HB2 TRP 127 1HB TRP 127 6.451 13.723 -9.025 955 HB3 TRP 127 2HB TRP 127 5.838 15.349 -8.859 956 H VAL 128 H VAL 128 5.817 11.860 -9.854 957 HA VAL 128 HA VAL 128 3.481 10.059 -9.646 958 HB VAL 128 HB VAL 128 4.037 10.427 -11.916 959 HG11 VAL 128 1HG1 VAL 128 6.493 10.518 -11.684 960 HG12 VAL 128 2HG1 VAL 128 6.497 8.762 -11.421 961 HG13 VAL 128 3HG1 VAL 128 5.939 9.420 -12.973 962 HG21 VAL 128 3HG2 VAL 128 4.338 7.556 -10.909 963 HG22 VAL 128 1HG2 VAL 128 2.808 8.414 -11.209 964 HG23 VAL 128 2HG2 VAL 128 3.890 8.020 -12.555 965 HA PRO 129 HA PRO 129 6.351 8.306 -6.645 966 HB2 PRO 129 1HB PRO 129 4.502 6.869 -5.204 967 HB3 PRO 129 2HB PRO 129 4.798 8.626 -4.997 968 HG2 PRO 129 1HG PRO 129 2.604 7.232 -6.491 969 HG3 PRO 129 2HG PRO 129 2.535 8.722 -5.485 970 HD2 PRO 129 1HD PRO 129 2.665 8.641 -8.265 971 HD3 PRO 129 2HD PRO 129 3.229 10.035 -7.297 972 H ASN 130 H ASN 130 7.152 6.308 -6.190 973 HA ASN 130 HA ASN 130 7.166 4.208 -8.129 974 HB2 ASN 130 1HB ASN 130 7.968 4.332 -5.172 975 HB3 ASN 130 2HB ASN 130 8.269 2.940 -6.180 976 HD21 ASN 130 2HD2 ASN 130 9.741 5.769 -5.125 977 HD22 ASN 130 1HD2 ASN 130 10.909 5.968 -6.405 978 H MET 131 H MET 131 6.558 1.934 -7.713 979 HA MET 131 HA MET 131 3.976 1.351 -6.696 980 HB2 MET 131 1HB MET 131 6.505 -0.376 -6.801 981 HB3 MET 131 2HB MET 131 4.933 -0.950 -6.283 982 HG2 MET 131 1HG MET 131 4.035 -0.195 -8.553 983 HG3 MET 131 2HG MET 131 5.726 -0.011 -9.038 984 HE1 MET 131 3HE MET 131 2.784 -2.279 -8.236 985 HE2 MET 131 1HE MET 131 3.460 -3.908 -8.030 986 HE3 MET 131 2HE MET 131 3.730 -2.683 -6.783 987 H ASP 132 H ASP 132 7.222 1.195 -5.052 988 HA ASP 132 HA ASP 132 6.198 0.002 -2.731 989 HB2 ASP 132 1HB ASP 132 8.589 1.800 -2.484 990 HB3 ASP 132 2HB ASP 132 8.259 0.243 -1.719 991 H LEU 133 H LEU 133 7.056 3.461 -3.302 992 HA LEU 133 HA LEU 133 5.995 4.723 -1.164 993 HG LEU 133 HG LEU 133 6.626 7.477 -2.130 994 HB2 LEU 133 1HB LEU 133 6.148 5.324 -4.093 995 HB3 LEU 133 2HB LEU 133 5.040 6.304 -3.179 996 HD11 LEU 133 1HD1 LEU 133 8.910 6.832 -1.623 997 HD12 LEU 133 2HD1 LEU 133 7.584 6.047 -0.762 998 HD13 LEU 133 3HD1 LEU 133 8.473 5.156 -2.061 999 HD21 LEU 133 3HD2 LEU 133 7.010 7.851 -4.491 1000 HD22 LEU 133 1HD2 LEU 133 8.500 8.036 -3.570 1001 HD23 LEU 133 2HD2 LEU 133 8.225 6.554 -4.500 1002 H VAL 134 H VAL 134 3.866 3.944 -4.012 1003 HA VAL 134 HA VAL 134 1.516 4.918 -2.808 1004 HB VAL 134 HB VAL 134 1.926 2.716 -4.891 1005 HG11 VAL 134 1HG1 VAL 134 -0.600 4.300 -4.242 1006 HG12 VAL 134 2HG1 VAL 134 -0.394 3.217 -5.642 1007 HG13 VAL 134 3HG1 VAL 134 -0.360 2.563 -4.001 1008 HG21 VAL 134 3HG2 VAL 134 1.501 4.431 -6.554 1009 HG22 VAL 134 1HG2 VAL 134 1.205 5.652 -5.290 1010 HG23 VAL 134 2HG2 VAL 134 2.822 4.984 -5.531 1011 H ILE 135 H ILE 135 3.024 1.737 -2.533 1012 HA ILE 135 HA ILE 135 0.655 0.515 -1.342 1013 HB ILE 135 HB ILE 135 3.449 -0.465 -2.047 1014 HG12 ILE 135 1HG1 ILE 135 0.759 -1.159 -3.268 1015 HG13 ILE 135 2HG1 ILE 135 1.722 0.171 -3.896 1016 HG21 ILE 135 1HG2 ILE 135 1.061 -2.033 -0.989 1017 HG22 ILE 135 2HG2 ILE 135 2.500 -2.767 -1.728 1018 HG23 ILE 135 3HG2 ILE 135 2.662 -1.858 -0.240 1019 HD11 ILE 135 3HD1 ILE 135 2.225 -1.626 -5.307 1020 HD12 ILE 135 1HD1 ILE 135 3.621 -1.485 -4.227 1021 HD13 ILE 135 2HD1 ILE 135 2.411 -2.766 -3.970 1022 H GLY 136 H GLY 136 4.021 1.191 -0.268 1023 HA2 GLY 136 1HA GLY 136 3.835 0.560 2.450 1024 HA3 GLY 136 2HA GLY 136 4.858 1.815 1.746 1025 H GLU 137 H GLU 137 2.583 3.535 0.739 1026 HA GLU 137 HA GLU 137 2.289 4.965 3.178 1027 HB2 GLU 137 1HB GLU 137 2.284 5.769 0.642 1028 HB3 GLU 137 2HB GLU 137 0.548 5.589 0.812 1029 HG2 GLU 137 1HG GLU 137 1.058 7.842 1.359 1030 HG3 GLU 137 2HG GLU 137 0.723 7.056 2.896 1031 H VAL 138 H VAL 138 -0.293 3.193 1.211 1032 HA VAL 138 HA VAL 138 -2.317 3.603 3.059 1033 HB VAL 138 HB VAL 138 -2.393 2.787 0.670 1034 HG11 VAL 138 1HG1 VAL 138 -2.046 0.011 1.756 1035 HG12 VAL 138 2HG1 VAL 138 -2.632 0.458 0.151 1036 HG13 VAL 138 3HG1 VAL 138 -0.994 0.868 0.579 1037 HG21 VAL 138 3HG2 VAL 138 -4.458 1.413 1.089 1038 HG22 VAL 138 1HG2 VAL 138 -4.031 1.422 2.818 1039 HG23 VAL 138 2HG2 VAL 138 -4.371 2.938 1.964 1040 H LEU 139 H LEU 139 -0.109 0.797 2.772 1041 HA LEU 139 HA LEU 139 -0.711 -0.678 4.974 1042 HG LEU 139 HG LEU 139 0.731 -2.630 4.263 1043 HB2 LEU 139 1HB LEU 139 1.806 0.018 3.467 1044 HB3 LEU 139 2HB LEU 139 1.964 -0.895 4.949 1045 HD11 LEU 139 1HD1 LEU 139 -0.459 -3.042 2.182 1046 HD12 LEU 139 2HD1 LEU 139 -1.210 -1.759 3.116 1047 HD13 LEU 139 3HD1 LEU 139 -0.204 -1.357 1.699 1048 HD21 LEU 139 3HD2 LEU 139 2.269 -1.747 1.799 1049 HD22 LEU 139 1HD2 LEU 139 3.021 -2.450 3.201 1050 HD23 LEU 139 2HD2 LEU 139 1.928 -3.448 2.219 1051 H ALA 140 H ALA 140 1.370 2.199 5.038 1052 HA ALA 140 HA ALA 140 1.870 2.000 7.889 1053 HB1 ALA 140 1HB ALA 140 2.725 4.313 7.645 1054 HB2 ALA 140 2HB ALA 140 3.375 3.227 6.397 1055 HB3 ALA 140 3HB ALA 140 2.067 4.380 6.001 1056 H GLU 141 H GLU 141 -0.676 3.652 5.976 1057 HA GLU 141 HA GLU 141 -1.608 5.245 8.181 1058 HB2 GLU 141 1HB GLU 141 -1.946 5.930 5.896 1059 HB3 GLU 141 2HB GLU 141 -2.880 4.490 5.519 1060 HG2 GLU 141 1HG GLU 141 -3.769 6.395 7.707 1061 HG3 GLU 141 2HG GLU 141 -4.076 6.796 6.017 1062 H VAL 142 H VAL 142 -2.821 2.347 6.567 1063 HA VAL 142 HA VAL 142 -4.903 1.696 8.377 1064 HB VAL 142 HB VAL 142 -3.374 0.093 6.267 1065 HG11 VAL 142 1HG1 VAL 142 -6.085 -0.488 7.571 1066 HG12 VAL 142 2HG1 VAL 142 -5.447 -1.313 6.131 1067 HG13 VAL 142 3HG1 VAL 142 -4.627 -1.490 7.687 1068 HG21 VAL 142 3HG2 VAL 142 -4.522 2.102 5.352 1069 HG22 VAL 142 1HG2 VAL 142 -5.304 0.627 4.825 1070 HG23 VAL 142 2HG2 VAL 142 -6.027 1.605 6.126 Start of MODEL 19 1 HA SER 1 HA SER 1 16.619 -6.912 -18.083 2 HG SER 1 HG SER 1 19.795 -7.020 -16.189 3 H1 SER 1 H SER 1 18.215 -5.051 -18.099 4 HB2 SER 1 1HB SER 1 18.409 -8.653 -17.041 5 HB3 SER 1 2HB SER 1 18.574 -7.874 -18.619 6 HA PRO 2 HA PRO 2 15.120 -7.976 -13.915 7 HB2 PRO 2 1HB PRO 2 14.678 -10.658 -13.956 8 HB3 PRO 2 2HB PRO 2 13.609 -9.508 -14.798 9 HG2 PRO 2 1HG PRO 2 15.784 -11.226 -15.967 10 HG3 PRO 2 2HG PRO 2 14.172 -10.874 -16.630 11 HD2 PRO 2 1HD PRO 2 16.524 -9.588 -17.382 12 HD3 PRO 2 2HD PRO 2 14.900 -8.886 -17.557 13 H GLU 3 H GLU 3 16.444 -8.321 -12.089 14 HA GLU 3 HA GLU 3 18.781 -10.125 -12.297 15 HB2 GLU 3 1HB GLU 3 18.338 -7.281 -11.302 16 HB3 GLU 3 2HB GLU 3 19.579 -8.282 -10.650 17 HG2 GLU 3 1HG GLU 3 20.945 -7.529 -12.251 18 HG3 GLU 3 2HG GLU 3 20.085 -8.591 -13.361 19 H ILE 4 H ILE 4 16.154 -8.828 -10.418 20 HA ILE 4 HA ILE 4 15.297 -9.044 -8.387 21 HB ILE 4 HB ILE 4 14.435 -11.359 -8.033 22 HG12 ILE 4 1HG1 ILE 4 15.708 -12.042 -10.712 23 HG13 ILE 4 2HG1 ILE 4 16.543 -12.361 -9.202 24 HG21 ILE 4 1HG2 ILE 4 13.054 -11.302 -10.102 25 HG22 ILE 4 2HG2 ILE 4 13.209 -9.734 -9.334 26 HG23 ILE 4 3HG2 ILE 4 14.166 -10.128 -10.813 27 HD11 ILE 4 3HD1 ILE 4 14.557 -13.681 -8.428 28 HD12 ILE 4 1HD1 ILE 4 13.803 -13.421 -10.008 29 HD13 ILE 4 2HD1 ILE 4 15.306 -14.357 -9.902 30 H MET 5 H MET 5 18.035 -8.783 -8.197 31 HA MET 5 HA MET 5 19.108 -10.505 -6.230 32 HB2 MET 5 1HB MET 5 19.982 -7.711 -7.019 33 HB3 MET 5 2HB MET 5 20.960 -8.852 -6.083 34 HG2 MET 5 1HG MET 5 21.018 -10.400 -7.968 35 HG3 MET 5 2HG MET 5 20.059 -9.289 -8.929 36 HE1 MET 5 3HE MET 5 21.205 -6.397 -8.356 37 HE2 MET 5 1HE MET 5 22.641 -6.252 -9.400 38 HE3 MET 5 2HE MET 5 21.150 -6.927 -10.048 39 H LYS 6 H LYS 6 17.090 -10.225 -4.820 40 HA LYS 6 HA LYS 6 15.798 -9.407 -3.144 41 HB2 LYS 6 1HB LYS 6 18.601 -9.041 -2.109 42 HB3 LYS 6 2HB LYS 6 17.185 -8.878 -1.047 43 HG2 LYS 6 1HG LYS 6 16.595 -11.225 -1.379 44 HG3 LYS 6 2HG LYS 6 17.837 -11.392 -2.629 45 HD2 LYS 6 1HD LYS 6 19.556 -10.720 -0.875 46 HD3 LYS 6 2HD LYS 6 18.294 -10.927 0.340 47 HE2 LYS 6 1HE LYS 6 19.048 -13.085 -1.692 48 HE3 LYS 6 2HE LYS 6 19.914 -12.900 -0.166 49 HZ1 LYS 6 3HZ LYS 6 17.924 -13.332 1.028 50 HZ2 LYS 6 1HZ LYS 6 17.002 -13.406 -0.325 51 HZ3 LYS 6 2HZ LYS 6 18.148 -14.552 -0.054 52 H ASN 7 H ASN 7 14.841 -7.700 -4.286 53 HA ASN 7 HA ASN 7 15.624 -5.056 -3.329 54 HB2 ASN 7 1HB ASN 7 14.575 -4.792 -5.997 55 HB3 ASN 7 2HB ASN 7 15.957 -4.022 -5.238 56 HD21 ASN 7 2HD2 ASN 7 14.886 -7.098 -6.720 57 HD22 ASN 7 1HD2 ASN 7 16.469 -7.453 -7.433 58 H LEU 8 H LEU 8 13.840 -4.995 -2.064 59 HA LEU 8 HA LEU 8 11.826 -5.944 -1.404 60 HG LEU 8 HG LEU 8 10.716 -4.967 -0.078 61 HB2 LEU 8 1HB LEU 8 12.097 -3.209 -2.094 62 HB3 LEU 8 2HB LEU 8 10.452 -3.656 -2.486 63 HD11 LEU 8 1HD1 LEU 8 12.374 -2.458 0.198 64 HD12 LEU 8 2HD1 LEU 8 11.888 -3.562 1.504 65 HD13 LEU 8 3HD1 LEU 8 12.996 -4.112 0.233 66 HD21 LEU 8 3HD2 LEU 8 8.883 -3.812 -0.559 67 HD22 LEU 8 1HD2 LEU 8 9.505 -3.155 0.949 68 HD23 LEU 8 2HD2 LEU 8 9.713 -2.223 -0.584 69 H SER 9 H SER 9 12.005 -7.634 -2.972 70 HA SER 9 HA SER 9 9.329 -7.943 -4.263 71 HG SER 9 HG SER 9 9.315 -8.445 -6.233 72 HB2 SER 9 1HB SER 9 11.982 -8.393 -5.350 73 HB3 SER 9 2HB SER 9 11.144 -9.929 -5.253 74 H ASN 10 H ASN 10 11.929 -10.020 -2.860 75 HA ASN 10 HA ASN 10 10.294 -12.207 -2.522 76 HB2 ASN 10 1HB ASN 10 12.126 -12.299 -0.277 77 HB3 ASN 10 2HB ASN 10 12.102 -13.249 -1.735 78 HD21 ASN 10 2HD2 ASN 10 13.384 -10.135 -0.340 79 HD22 ASN 10 1HD2 ASN 10 14.682 -10.079 -1.502 80 H ASN 11 H ASN 11 10.920 -9.686 -0.163 81 HA ASN 11 HA ASN 11 9.372 -10.633 2.056 82 HB2 ASN 11 1HB ASN 11 9.419 -8.024 2.452 83 HB3 ASN 11 2HB ASN 11 10.827 -8.940 2.718 84 HD21 ASN 11 2HD2 ASN 11 12.344 -6.993 2.253 85 HD22 ASN 11 1HD2 ASN 11 12.458 -6.490 0.611 86 H PHE 12 H PHE 12 8.803 -8.265 -0.575 87 HA PHE 12 HA PHE 12 6.346 -7.411 0.220 88 HD1 PHE 12 HD2 PHE 12 4.506 -6.444 -0.759 89 HD2 PHE 12 HD1 PHE 12 7.960 -4.770 -2.722 90 HE1 PHE 12 HE2 PHE 12 3.828 -4.186 -0.080 91 HE2 PHE 12 HE1 PHE 12 7.214 -2.514 -2.152 92 HZ PHE 12 HZ PHE 12 5.196 -2.199 -0.736 93 HB2 PHE 12 1HB PHE 12 8.005 -7.027 -2.003 94 HB3 PHE 12 2HB PHE 12 6.546 -7.645 -2.741 95 H GLY 13 H GLY 13 7.040 -10.063 -2.103 96 HA2 GLY 13 1HA GLY 13 4.303 -10.930 -2.337 97 HA3 GLY 13 2HA GLY 13 5.753 -11.789 -2.873 98 H LYS 14 H LYS 14 6.857 -11.637 0.012 99 HA LYS 14 HA LYS 14 5.836 -14.111 1.032 100 HB2 LYS 14 1HB LYS 14 7.962 -12.282 1.666 101 HB3 LYS 14 2HB LYS 14 6.969 -12.258 3.075 102 HG2 LYS 14 1HG LYS 14 7.148 -14.690 3.278 103 HG3 LYS 14 2HG LYS 14 8.150 -14.707 1.805 104 HD2 LYS 14 1HD LYS 14 9.871 -13.371 2.823 105 HD3 LYS 14 2HD LYS 14 8.887 -13.061 4.258 106 HE2 LYS 14 1HE LYS 14 10.753 -14.754 4.519 107 HE3 LYS 14 2HE LYS 14 9.159 -15.258 5.085 108 HZ1 LYS 14 3HZ LYS 14 8.904 -16.680 3.332 109 HZ2 LYS 14 1HZ LYS 14 10.073 -15.989 2.378 110 HZ3 LYS 14 2HZ LYS 14 10.452 -16.880 3.716 111 H ALA 15 H ALA 15 5.470 -10.724 2.195 112 HA ALA 15 HA ALA 15 3.645 -11.482 4.212 113 HB1 ALA 15 1HB ALA 15 4.956 -9.347 4.107 114 HB2 ALA 15 2HB ALA 15 3.887 -8.775 2.820 115 HB3 ALA 15 3HB ALA 15 3.246 -9.073 4.452 116 H MET 16 H MET 16 3.094 -10.628 0.815 117 HA MET 16 HA MET 16 0.269 -10.449 0.915 118 HB2 MET 16 1HB MET 16 1.941 -9.860 -1.019 119 HB3 MET 16 2HB MET 16 1.808 -11.571 -1.474 120 HG2 MET 16 1HG MET 16 -0.508 -9.635 -1.084 121 HG3 MET 16 2HG MET 16 0.191 -10.027 -2.650 122 HE1 MET 16 3HE MET 16 -3.551 -11.760 -1.520 123 HE2 MET 16 1HE MET 16 -2.773 -10.292 -0.914 124 HE3 MET 16 2HE MET 16 -2.976 -10.512 -2.675 125 H ASP 17 H ASP 17 2.500 -13.256 0.363 126 HA ASP 17 HA ASP 17 0.427 -15.190 0.079 127 HB2 ASP 17 1HB ASP 17 2.952 -15.365 -0.506 128 HB3 ASP 17 2HB ASP 17 3.210 -15.742 1.180 129 H GLN 18 H GLN 18 2.242 -14.110 3.026 130 HA GLN 18 HA GLN 18 1.024 -15.831 4.874 131 HB2 GLN 18 1HB GLN 18 1.633 -12.878 5.268 132 HB3 GLN 18 2HB GLN 18 1.409 -14.070 6.538 133 HG2 GLN 18 1HG GLN 18 3.686 -14.067 4.520 134 HG3 GLN 18 2HG GLN 18 3.729 -13.459 6.153 135 HE21 GLN 18 2HE2 GLN 18 5.550 -15.399 5.157 136 HE22 GLN 18 1HE2 GLN 18 5.282 -16.854 6.057 137 H CYS 19 H CYS 19 -0.296 -12.851 3.312 138 HA CYS 19 HA CYS 19 -2.639 -12.877 4.995 139 HB2 CYS 19 1HB CYS 19 -1.962 -11.287 2.485 140 HB3 CYS 19 2HB CYS 19 -3.388 -11.045 3.491 141 H LYS 20 H LYS 20 -1.757 -13.899 1.668 142 HA LYS 20 HA LYS 20 -4.314 -14.854 0.921 143 HB2 LYS 20 1HB LYS 20 -2.217 -14.479 -0.538 144 HB3 LYS 20 2HB LYS 20 -1.691 -16.058 0.011 145 HG2 LYS 20 1HG LYS 20 -3.998 -16.924 -0.818 146 HG3 LYS 20 2HG LYS 20 -4.177 -15.298 -1.472 147 HD2 LYS 20 1HD LYS 20 -3.424 -16.652 -3.242 148 HD3 LYS 20 2HD LYS 20 -1.997 -15.712 -2.734 149 HE2 LYS 20 1HE LYS 20 -1.023 -17.579 -1.633 150 HE3 LYS 20 2HE LYS 20 -2.566 -18.422 -1.504 151 HZ1 LYS 20 3HZ LYS 20 -2.540 -18.901 -3.802 152 HZ2 LYS 20 1HZ LYS 20 -1.285 -17.909 -4.110 153 HZ3 LYS 20 2HZ LYS 20 -1.062 -19.313 -3.253 154 H ASP 21 H ASP 21 -2.317 -15.959 3.443 155 HA ASP 21 HA ASP 21 -3.500 -18.648 3.424 156 HB2 ASP 21 1HB ASP 21 -0.999 -18.476 3.444 157 HB3 ASP 21 2HB ASP 21 -1.076 -17.554 4.932 158 H GLU 22 H GLU 22 -2.761 -15.978 5.758 159 HA GLU 22 HA GLU 22 -4.411 -17.145 7.794 160 HB2 GLU 22 1HB GLU 22 -3.269 -14.337 7.379 161 HB3 GLU 22 2HB GLU 22 -4.170 -14.870 8.811 162 HG2 GLU 22 1HG GLU 22 -2.418 -16.829 8.841 163 HG3 GLU 22 2HG GLU 22 -1.426 -15.728 7.873 164 H LEU 23 H LEU 23 -4.969 -14.959 5.036 165 HA LEU 23 HA LEU 23 -7.729 -14.679 5.919 166 HG LEU 23 HG LEU 23 -7.211 -12.667 6.478 167 HB2 LEU 23 1HB LEU 23 -6.393 -13.269 3.650 168 HB3 LEU 23 2HB LEU 23 -8.029 -13.085 4.215 169 HD11 LEU 23 1HD1 LEU 23 -5.121 -11.528 6.898 170 HD12 LEU 23 2HD1 LEU 23 -5.123 -13.242 6.732 171 HD13 LEU 23 3HD1 LEU 23 -4.542 -12.245 5.360 172 HD21 LEU 23 3HD2 LEU 23 -6.833 -10.219 6.002 173 HD22 LEU 23 1HD2 LEU 23 -6.303 -10.659 4.363 174 HD23 LEU 23 2HD2 LEU 23 -8.001 -10.878 4.846 175 H SER 24 H SER 24 -5.860 -16.584 3.654 176 HA SER 24 HA SER 24 -6.454 -18.035 2.065 177 HG SER 24 HG SER 24 -8.837 -20.276 2.623 178 HB2 SER 24 1HB SER 24 -8.388 -18.289 4.030 179 HB3 SER 24 2HB SER 24 -9.346 -18.220 2.560 180 H LEU 25 H LEU 25 -6.226 -15.454 1.195 181 HA LEU 25 HA LEU 25 -8.510 -14.500 -0.332 182 HG LEU 25 HG LEU 25 -5.995 -12.758 1.515 183 HB2 LEU 25 1HB LEU 25 -5.532 -13.728 -0.499 184 HB3 LEU 25 2HB LEU 25 -6.836 -12.920 -1.265 185 HD11 LEU 25 1HD1 LEU 25 -7.568 -10.897 -0.292 186 HD12 LEU 25 2HD1 LEU 25 -6.700 -10.507 1.198 187 HD13 LEU 25 3HD1 LEU 25 -5.810 -11.044 -0.270 188 HD21 LEU 25 3HD2 LEU 25 -8.295 -11.909 2.239 189 HD22 LEU 25 1HD2 LEU 25 -8.957 -12.582 0.742 190 HD23 LEU 25 2HD2 LEU 25 -8.304 -13.658 1.969 191 HA PRO 26 HA PRO 26 -7.984 -17.421 -3.583 192 HB2 PRO 26 1HB PRO 26 -9.688 -16.470 -5.516 193 HB3 PRO 26 2HB PRO 26 -10.254 -17.213 -3.994 194 HG2 PRO 26 1HG PRO 26 -9.949 -14.272 -4.627 195 HG3 PRO 26 2HG PRO 26 -11.346 -15.098 -3.867 196 HD2 PRO 26 1HD PRO 26 -9.424 -13.783 -2.443 197 HD3 PRO 26 2HD PRO 26 -10.258 -15.177 -1.825 198 H ASP 27 H ASP 27 -7.082 -17.602 -5.738 199 HA ASP 27 HA ASP 27 -4.881 -15.881 -6.228 200 HB2 ASP 27 1HB ASP 27 -5.235 -18.300 -6.953 201 HB3 ASP 27 2HB ASP 27 -6.140 -17.672 -8.331 202 H SER 28 H SER 28 -8.118 -15.533 -7.100 203 HA SER 28 HA SER 28 -7.949 -13.790 -9.431 204 HG SER 28 HG SER 28 -10.580 -12.961 -9.732 205 HB2 SER 28 1HB SER 28 -9.971 -14.989 -9.278 206 HB3 SER 28 2HB SER 28 -10.122 -14.672 -7.537 207 H VAL 29 H VAL 29 -8.727 -13.408 -5.859 208 HA VAL 29 HA VAL 29 -8.732 -10.584 -6.185 209 HB VAL 29 HB VAL 29 -9.768 -12.073 -4.191 210 HG11 VAL 29 1HG1 VAL 29 -8.665 -11.825 -2.153 211 HG12 VAL 29 2HG1 VAL 29 -7.633 -12.769 -3.255 212 HG13 VAL 29 3HG1 VAL 29 -7.231 -11.070 -2.887 213 HG21 VAL 29 3HG2 VAL 29 -10.005 -9.567 -4.701 214 HG22 VAL 29 1HG2 VAL 29 -9.803 -9.848 -2.965 215 HG23 VAL 29 2HG2 VAL 29 -8.410 -9.320 -3.932 216 H VAL 30 H VAL 30 -6.298 -12.951 -5.301 217 HA VAL 30 HA VAL 30 -4.332 -11.069 -4.552 218 HB VAL 30 HB VAL 30 -4.099 -13.907 -5.660 219 HG11 VAL 30 1HG1 VAL 30 -1.934 -13.012 -6.077 220 HG12 VAL 30 2HG1 VAL 30 -1.883 -12.214 -4.489 221 HG13 VAL 30 3HG1 VAL 30 -1.811 -13.988 -4.612 222 HG21 VAL 30 3HG2 VAL 30 -3.338 -13.679 -2.864 223 HG22 VAL 30 1HG2 VAL 30 -4.941 -12.960 -3.102 224 HG23 VAL 30 2HG2 VAL 30 -4.627 -14.615 -3.617 225 H ALA 31 H ALA 31 -4.965 -12.641 -7.788 226 HA ALA 31 HA ALA 31 -2.969 -11.214 -9.223 227 HB1 ALA 31 1HB ALA 31 -4.165 -13.135 -10.185 228 HB2 ALA 31 2HB ALA 31 -5.697 -12.226 -10.127 229 HB3 ALA 31 3HB ALA 31 -4.384 -11.694 -11.200 230 H ASP 32 H ASP 32 -6.319 -10.399 -8.305 231 HA ASP 32 HA ASP 32 -6.500 -7.888 -9.661 232 HB2 ASP 32 1HB ASP 32 -7.930 -9.234 -7.463 233 HB3 ASP 32 2HB ASP 32 -7.919 -7.493 -7.307 234 H LEU 33 H LEU 33 -5.253 -8.600 -6.381 235 HA LEU 33 HA LEU 33 -4.494 -5.932 -5.706 236 HG LEU 33 HG LEU 33 -4.553 -6.025 -3.616 237 HB2 LEU 33 1HB LEU 33 -3.850 -8.678 -4.743 238 HB3 LEU 33 2HB LEU 33 -2.475 -7.611 -4.663 239 HD11 LEU 33 1HD1 LEU 33 -6.017 -7.982 -3.493 240 HD12 LEU 33 2HD1 LEU 33 -4.804 -8.851 -2.529 241 HD13 LEU 33 3HD1 LEU 33 -5.558 -7.373 -1.886 242 HD21 LEU 33 3HD2 LEU 33 -2.227 -6.137 -2.856 243 HD22 LEU 33 1HD2 LEU 33 -3.378 -6.260 -1.516 244 HD23 LEU 33 2HD2 LEU 33 -2.537 -7.721 -2.110 245 H TYR 34 H TYR 34 -2.673 -8.520 -7.370 246 HA TYR 34 HA TYR 34 -0.418 -6.810 -7.930 247 HD1 TYR 34 HD2 TYR 34 2.031 -7.943 -8.313 248 HD2 TYR 34 HD1 TYR 34 -0.925 -10.677 -6.768 249 HE1 TYR 34 HE2 TYR 34 3.610 -8.690 -6.606 250 HE2 TYR 34 HE1 TYR 34 0.608 -11.369 -4.987 251 HH TYR 34 HH TYR 34 2.978 -11.382 -4.401 252 HB2 TYR 34 1HB TYR 34 -1.313 -9.521 -8.906 253 HB3 TYR 34 2HB TYR 34 0.040 -8.693 -9.663 254 H ASN 35 H ASN 35 -3.543 -6.723 -9.334 255 HA ASN 35 HA ASN 35 -2.559 -5.405 -11.813 256 HB2 ASN 35 1HB ASN 35 -5.318 -6.158 -10.832 257 HB3 ASN 35 2HB ASN 35 -5.092 -4.880 -12.007 258 HD21 ASN 35 2HD2 ASN 35 -4.309 -8.373 -11.491 259 HD22 ASN 35 1HD2 ASN 35 -4.359 -8.701 -13.227 260 H PHE 36 H PHE 36 -3.820 -4.676 -8.568 261 HA PHE 36 HA PHE 36 -4.880 -2.167 -9.058 262 HD1 PHE 36 HD2 PHE 36 -7.103 -2.112 -7.469 263 HD2 PHE 36 HD1 PHE 36 -3.565 -1.071 -5.228 264 HE1 PHE 36 HE2 PHE 36 -8.306 -0.195 -6.407 265 HE2 PHE 36 HE1 PHE 36 -4.767 0.821 -4.182 266 HZ PHE 36 HZ PHE 36 -7.159 1.236 -4.737 267 HB2 PHE 36 1HB PHE 36 -5.108 -3.738 -7.026 268 HB3 PHE 36 2HB PHE 36 -3.589 -3.065 -6.470 269 H TRP 37 H TRP 37 -1.541 -2.937 -8.465 270 HA TRP 37 HA TRP 37 -0.815 -0.088 -8.943 271 HD1 TRP 37 HD1 TRP 37 0.411 -3.938 -7.142 272 HE1 TRP 37 HE1 TRP 37 -0.651 -4.875 -5.030 273 HE3 TRP 37 HE3 TRP 37 -0.742 0.434 -4.815 274 HZ2 TRP 37 HZ2 TRP 37 -2.021 -3.845 -2.669 275 HZ3 TRP 37 HZ3 TRP 37 -1.903 0.464 -2.626 276 HH2 TRP 37 HH2 TRP 37 -2.598 -1.665 -1.559 277 HB2 TRP 37 1HB TRP 37 1.341 -1.228 -7.627 278 HB3 TRP 37 2HB TRP 37 0.213 -0.050 -7.030 279 H LYS 38 H LYS 38 -1.372 -2.157 -10.939 280 HA LYS 38 HA LYS 38 1.273 -2.875 -12.034 281 HB2 LYS 38 1HB LYS 38 -0.750 -4.358 -12.077 282 HB3 LYS 38 2HB LYS 38 -1.507 -3.284 -13.202 283 HG2 LYS 38 1HG LYS 38 -0.479 -4.322 -14.912 284 HG3 LYS 38 2HG LYS 38 1.100 -3.867 -14.281 285 HD2 LYS 38 1HD LYS 38 -0.505 -6.307 -13.384 286 HD3 LYS 38 2HD LYS 38 0.804 -6.347 -14.578 287 HE2 LYS 38 1HE LYS 38 2.449 -5.670 -12.985 288 HE3 LYS 38 2HE LYS 38 1.233 -5.238 -11.781 289 HZ1 LYS 38 3HZ LYS 38 2.349 -7.357 -11.379 290 HZ2 LYS 38 1HZ LYS 38 0.701 -7.470 -11.449 291 HZ3 LYS 38 2HZ LYS 38 1.626 -8.008 -12.705 292 H ASP 39 H ASP 39 -1.577 -1.309 -13.636 293 HA ASP 39 HA ASP 39 0.189 0.954 -14.476 294 HB2 ASP 39 1HB ASP 39 -1.860 -0.580 -16.128 295 HB3 ASP 39 2HB ASP 39 -1.260 1.026 -16.544 296 H ASP 40 H ASP 40 -3.316 -0.013 -14.599 297 HA ASP 40 HA ASP 40 -4.017 1.873 -12.628 298 HB2 ASP 40 1HB ASP 40 -3.754 3.403 -14.671 299 HB3 ASP 40 2HB ASP 40 -5.096 2.520 -15.408 300 H TYR 41 H TYR 41 -5.433 0.741 -11.557 301 HA TYR 41 HA TYR 41 -7.565 -0.759 -12.930 302 HD1 TYR 41 HD1 TYR 41 -7.944 -3.370 -13.440 303 HD2 TYR 41 HD2 TYR 41 -6.687 -3.123 -9.323 304 HE1 TYR 41 HE1 TYR 41 -9.737 -4.900 -12.786 305 HE2 TYR 41 HE2 TYR 41 -8.375 -4.659 -8.643 306 HH TYR 41 HH TYR 41 -10.103 -6.410 -9.705 307 HB2 TYR 41 1HB TYR 41 -5.702 -2.346 -12.719 308 HB3 TYR 41 2HB TYR 41 -5.487 -1.904 -11.035 309 H VAL 42 H VAL 42 -9.393 -1.090 -11.641 310 HA VAL 42 HA VAL 42 -9.375 -0.122 -8.847 311 HB VAL 42 HB VAL 42 -11.279 0.583 -11.100 312 HG11 VAL 42 1HG1 VAL 42 -12.839 1.437 -9.285 313 HG12 VAL 42 2HG1 VAL 42 -12.850 -0.300 -9.589 314 HG13 VAL 42 3HG1 VAL 42 -11.990 0.328 -8.177 315 HG21 VAL 42 3HG2 VAL 42 -9.488 2.176 -10.458 316 HG22 VAL 42 1HG2 VAL 42 -11.077 2.816 -10.027 317 HG23 VAL 42 2HG2 VAL 42 -10.045 2.112 -8.768 318 H MET 43 H MET 43 -9.848 -1.693 -7.585 319 HA MET 43 HA MET 43 -10.966 -4.255 -8.485 320 HB2 MET 43 1HB MET 43 -10.937 -4.549 -5.819 321 HB3 MET 43 2HB MET 43 -9.525 -4.825 -6.794 322 HG2 MET 43 1HG MET 43 -8.393 -3.129 -5.929 323 HG3 MET 43 2HG MET 43 -9.753 -2.007 -5.895 324 HE1 MET 43 3HE MET 43 -7.740 -2.892 -2.351 325 HE2 MET 43 1HE MET 43 -7.208 -3.390 -3.989 326 HE3 MET 43 2HE MET 43 -7.700 -1.707 -3.681 327 H THR 44 H THR 44 -12.768 -5.159 -7.588 328 HA THR 44 HA THR 44 -14.827 -3.339 -6.449 329 HB THR 44 HB THR 44 -16.431 -5.076 -7.072 330 HG1 THR 44 1HG THR 44 -14.143 -6.467 -8.051 331 HG21 THR 44 3HG2 THR 44 -15.903 -3.299 -8.712 332 HG22 THR 44 1HG2 THR 44 -14.654 -4.325 -9.444 333 HG23 THR 44 2HG2 THR 44 -16.342 -4.844 -9.507 334 H ASP 45 H ASP 45 -12.895 -6.337 -5.938 335 HA ASP 45 HA ASP 45 -14.694 -7.286 -4.043 336 HB2 ASP 45 1HB ASP 45 -12.876 -8.586 -5.417 337 HB3 ASP 45 2HB ASP 45 -11.871 -8.324 -3.989 338 H ARG 46 H ARG 46 -14.880 -7.271 -1.898 339 HA ARG 46 HA ARG 46 -13.504 -5.336 -0.316 340 HE ARG 46 HE ARG 46 -15.664 -10.265 2.189 341 HB2 ARG 46 1HB ARG 46 -14.710 -6.112 1.537 342 HB3 ARG 46 2HB ARG 46 -15.792 -6.237 0.148 343 HG2 ARG 46 1HG ARG 46 -15.139 -8.719 -0.015 344 HG3 ARG 46 2HG ARG 46 -14.303 -8.508 1.539 345 HD2 ARG 46 1HD ARG 46 -16.499 -7.663 2.478 346 HD3 ARG 46 2HD ARG 46 -17.268 -8.181 0.968 347 HH11 ARG 46 2HH2 ARG 46 -18.855 -8.694 2.415 348 HH12 ARG 46 1HH2 ARG 46 -19.496 -9.874 3.475 349 HH21 ARG 46 2HH1 ARG 46 -16.626 -12.011 3.073 350 HH22 ARG 46 1HH1 ARG 46 -18.307 -12.054 3.506 351 H LEU 47 H LEU 47 -12.811 -8.785 -0.963 352 HA LEU 47 HA LEU 47 -11.085 -9.226 1.264 353 HG LEU 47 HG LEU 47 -13.102 -11.161 -0.028 354 HB2 LEU 47 1HB LEU 47 -11.257 -10.455 -1.509 355 HB3 LEU 47 2HB LEU 47 -10.076 -10.969 -0.320 356 HD11 LEU 47 1HD1 LEU 47 -12.078 -12.703 -1.673 357 HD12 LEU 47 2HD1 LEU 47 -10.891 -13.226 -0.463 358 HD13 LEU 47 3HD1 LEU 47 -12.624 -13.595 -0.241 359 HD21 LEU 47 3HD2 LEU 47 -12.091 -10.860 2.203 360 HD22 LEU 47 1HD2 LEU 47 -12.581 -12.527 1.988 361 HD23 LEU 47 2HD2 LEU 47 -10.865 -12.093 1.838 362 H ALA 48 H ALA 48 -10.491 -7.548 -1.828 363 HA ALA 48 HA ALA 48 -7.649 -7.764 -1.694 364 HB1 ALA 48 1HB ALA 48 -9.474 -5.657 -2.883 365 HB2 ALA 48 2HB ALA 48 -7.709 -5.710 -3.145 366 HB3 ALA 48 3HB ALA 48 -8.743 -7.020 -3.737 367 H GLY 49 H GLY 49 -9.956 -5.417 -0.322 368 HA2 GLY 49 1HA GLY 49 -8.098 -3.684 1.002 369 HA3 GLY 49 2HA GLY 49 -9.789 -3.965 1.454 370 H CYS 50 H CYS 50 -9.605 -6.794 1.943 371 HA CYS 50 HA CYS 50 -8.651 -6.737 4.649 372 HB2 CYS 50 1HB CYS 50 -9.263 -9.214 2.959 373 HB3 CYS 50 2HB CYS 50 -9.231 -9.080 4.701 374 H ALA 51 H ALA 51 -7.264 -8.072 1.596 375 HA ALA 51 HA ALA 51 -4.873 -9.092 2.753 376 HB1 ALA 51 1HB ALA 51 -4.459 -9.656 0.633 377 HB2 ALA 51 2HB ALA 51 -5.825 -8.682 0.067 378 HB3 ALA 51 3HB ALA 51 -4.215 -7.956 0.189 379 H ILE 52 H ILE 52 -5.662 -5.779 1.558 380 HA ILE 52 HA ILE 52 -3.106 -4.684 2.090 381 HB ILE 52 HB ILE 52 -5.804 -3.269 2.136 382 HG12 ILE 52 1HG1 ILE 52 -3.693 -3.398 -0.079 383 HG13 ILE 52 2HG1 ILE 52 -5.136 -4.384 -0.064 384 HG21 ILE 52 1HG2 ILE 52 -2.989 -2.137 1.878 385 HG22 ILE 52 2HG2 ILE 52 -4.494 -1.186 1.834 386 HG23 ILE 52 3HG2 ILE 52 -3.999 -1.977 3.314 387 HD11 ILE 52 3HD1 ILE 52 -5.569 -2.537 -1.505 388 HD12 ILE 52 1HD1 ILE 52 -6.543 -2.286 -0.048 389 HD13 ILE 52 2HD1 ILE 52 -5.045 -1.357 -0.310 390 H ASN 53 H ASN 53 -6.005 -4.778 4.315 391 HA ASN 53 HA ASN 53 -4.443 -3.554 6.375 392 HB2 ASN 53 1HB ASN 53 -6.218 -3.747 7.835 393 HB3 ASN 53 2HB ASN 53 -6.912 -3.448 6.238 394 HD21 ASN 53 2HD2 ASN 53 -8.873 -4.278 6.402 395 HD22 ASN 53 1HD2 ASN 53 -9.251 -5.938 6.905 396 H CYS 54 H CYS 54 -4.587 -6.903 5.435 397 HA CYS 54 HA CYS 54 -3.246 -7.797 7.878 398 HB2 CYS 54 1HB CYS 54 -4.488 -9.417 6.782 399 HB3 CYS 54 2HB CYS 54 -3.871 -9.008 5.186 400 H LEU 55 H LEU 55 -2.205 -6.769 4.575 401 HA LEU 55 HA LEU 55 0.600 -7.227 4.976 402 HG LEU 55 HG LEU 55 -0.838 -7.856 2.657 403 HB2 LEU 55 1HB LEU 55 -0.984 -5.318 3.219 404 HB3 LEU 55 2HB LEU 55 0.771 -5.328 3.217 405 HD11 LEU 55 1HD1 LEU 55 0.260 -5.884 0.621 406 HD12 LEU 55 2HD1 LEU 55 -0.548 -7.424 0.277 407 HD13 LEU 55 3HD1 LEU 55 -1.470 -6.104 1.009 408 HD21 LEU 55 3HD2 LEU 55 1.319 -8.400 1.434 409 HD22 LEU 55 1HD2 LEU 55 2.043 -6.974 2.179 410 HD23 LEU 55 2HD2 LEU 55 1.441 -8.305 3.199 411 H ALA 56 H ALA 56 -1.553 -4.674 5.895 412 HA ALA 56 HA ALA 56 0.337 -2.663 6.664 413 HB1 ALA 56 1HB ALA 56 -2.566 -2.970 7.490 414 HB2 ALA 56 2HB ALA 56 -1.601 -1.504 7.571 415 HB3 ALA 56 3HB ALA 56 -2.020 -2.193 5.983 416 H THR 57 H THR 57 -0.668 -5.610 8.131 417 HA THR 57 HA THR 57 0.436 -4.810 10.758 418 HB THR 57 HB THR 57 -0.945 -6.744 11.598 419 HG1 THR 57 1HG THR 57 -2.539 -6.386 9.322 420 HG21 THR 57 3HG2 THR 57 -2.565 -4.518 10.303 421 HG22 THR 57 1HG2 THR 57 -3.077 -5.557 11.628 422 HG23 THR 57 2HG2 THR 57 -1.744 -4.401 11.868 423 H LYS 58 H LYS 58 1.471 -6.048 7.879 424 HA LYS 58 HA LYS 58 3.365 -7.873 9.231 425 HB2 LYS 58 1HB LYS 58 1.780 -8.311 6.662 426 HB3 LYS 58 2HB LYS 58 3.318 -9.135 6.992 427 HG2 LYS 58 1HG LYS 58 2.489 -9.926 9.149 428 HG3 LYS 58 2HG LYS 58 0.899 -9.201 8.798 429 HD2 LYS 58 1HD LYS 58 0.676 -10.615 6.765 430 HD3 LYS 58 2HD LYS 58 2.208 -11.404 7.166 431 HE2 LYS 58 1HE LYS 58 0.246 -12.759 7.858 432 HE3 LYS 58 2HE LYS 58 1.278 -12.326 9.219 433 HZ1 LYS 58 3HZ LYS 58 -1.239 -10.919 8.540 434 HZ2 LYS 58 1HZ LYS 58 -1.078 -12.122 9.631 435 HZ3 LYS 58 2HZ LYS 58 -0.310 -10.691 9.891 436 H LEU 59 H LEU 59 3.607 -5.186 9.088 437 HA LEU 59 HA LEU 59 5.049 -4.259 6.800 438 HG LEU 59 HG LEU 59 3.099 -3.266 9.339 439 HB2 LEU 59 1HB LEU 59 5.548 -3.266 9.590 440 HB3 LEU 59 2HB LEU 59 5.757 -2.410 8.051 441 HD11 LEU 59 1HD1 LEU 59 2.683 -0.949 9.771 442 HD12 LEU 59 2HD1 LEU 59 4.254 -1.390 10.469 443 HD13 LEU 59 3HD1 LEU 59 4.182 -0.476 8.942 444 HD21 LEU 59 3HD2 LEU 59 3.533 -1.545 6.865 445 HD22 LEU 59 1HD2 LEU 59 2.871 -3.191 6.865 446 HD23 LEU 59 2HD2 LEU 59 2.005 -1.855 7.661 447 H ASP 60 H ASP 60 5.837 -6.216 9.695 448 HA ASP 60 HA ASP 60 8.738 -5.958 9.249 449 HB2 ASP 60 1HB ASP 60 6.989 -7.223 11.289 450 HB3 ASP 60 2HB ASP 60 8.448 -8.130 10.951 451 H VAL 61 H VAL 61 6.439 -7.605 7.558 452 HA VAL 61 HA VAL 61 8.259 -9.864 6.885 453 HB VAL 61 HB VAL 61 5.290 -9.752 6.324 454 HG11 VAL 61 1HG1 VAL 61 6.650 -11.430 5.106 455 HG12 VAL 61 2HG1 VAL 61 7.273 -12.061 6.646 456 HG13 VAL 61 3HG1 VAL 61 5.557 -12.229 6.244 457 HG21 VAL 61 3HG2 VAL 61 5.329 -9.542 8.718 458 HG22 VAL 61 1HG2 VAL 61 4.959 -11.222 8.337 459 HG23 VAL 61 2HG2 VAL 61 6.602 -10.770 8.850 460 H VAL 62 H VAL 62 6.067 -7.261 5.621 461 HA VAL 62 HA VAL 62 6.971 -7.714 2.907 462 HB VAL 62 HB VAL 62 4.725 -6.752 4.025 463 HG11 VAL 62 1HG1 VAL 62 5.994 -4.823 5.095 464 HG12 VAL 62 2HG1 VAL 62 6.064 -4.107 3.475 465 HG13 VAL 62 3HG1 VAL 62 4.492 -4.435 4.246 466 HG21 VAL 62 3HG2 VAL 62 4.191 -5.398 2.015 467 HG22 VAL 62 1HG2 VAL 62 5.902 -5.505 1.540 468 HG23 VAL 62 2HG2 VAL 62 4.877 -6.984 1.634 469 H ASP 63 H ASP 63 8.014 -5.632 5.523 470 HA ASP 63 HA ASP 63 10.358 -4.774 3.914 471 HB2 ASP 63 1HB ASP 63 8.845 -2.959 3.695 472 HB3 ASP 63 2HB ASP 63 8.442 -2.971 5.395 473 HA PRO 64 HA PRO 64 11.236 -6.554 8.111 474 HB2 PRO 64 1HB PRO 64 13.317 -8.233 7.304 475 HB3 PRO 64 2HB PRO 64 11.603 -8.690 7.454 476 HG2 PRO 64 1HG PRO 64 13.143 -7.986 4.988 477 HG3 PRO 64 2HG PRO 64 11.855 -9.197 5.186 478 HD2 PRO 64 1HD PRO 64 11.451 -6.704 4.070 479 HD3 PRO 64 2HD PRO 64 10.183 -7.611 4.925 480 H ASP 65 H ASP 65 12.922 -4.713 5.723 481 HA ASP 65 HA ASP 65 15.365 -4.118 7.105 482 HB2 ASP 65 1HB ASP 65 13.678 -2.528 5.129 483 HB3 ASP 65 2HB ASP 65 15.274 -2.043 5.700 484 H GLY 66 H GLY 66 11.965 -3.023 7.399 485 HA2 GLY 66 1HA GLY 66 10.890 -2.469 9.275 486 HA3 GLY 66 2HA GLY 66 12.407 -2.562 10.197 487 H ASN 67 H ASN 67 11.449 -0.788 7.291 488 HA ASN 67 HA ASN 67 12.263 1.770 8.509 489 HB2 ASN 67 1HB ASN 67 11.553 1.326 5.599 490 HB3 ASN 67 2HB ASN 67 12.474 2.657 6.302 491 HD21 ASN 67 2HD2 ASN 67 14.404 1.368 7.760 492 HD22 ASN 67 1HD2 ASN 67 15.311 0.195 6.801 493 H LEU 68 H LEU 68 9.776 0.006 6.698 494 HA LEU 68 HA LEU 68 7.626 1.894 6.980 495 HG LEU 68 HG LEU 68 5.397 -0.430 7.067 496 HB2 LEU 68 1HB LEU 68 7.808 -0.035 5.309 497 HB3 LEU 68 2HB LEU 68 7.637 -1.147 6.638 498 HD11 LEU 68 1HD1 LEU 68 4.190 1.198 5.672 499 HD12 LEU 68 2HD1 LEU 68 5.423 1.973 6.657 500 HD13 LEU 68 3HD1 LEU 68 5.718 1.694 4.918 501 HD21 LEU 68 3HD2 LEU 68 5.784 -2.069 5.252 502 HD22 LEU 68 1HD2 LEU 68 4.373 -1.063 4.874 503 HD23 LEU 68 2HD2 LEU 68 5.911 -0.749 4.071 504 H HIS 69 H HIS 69 6.487 2.269 8.814 505 HA HIS 69 HA HIS 69 5.893 0.029 10.569 506 HD1 HIS 69 HD1 HIS 69 8.135 -0.987 11.978 507 HD2 HIS 69 HD2 HIS 69 9.187 3.123 11.910 508 HE1 HIS 69 HE1 HIS 69 10.652 -0.860 12.356 509 HE2 HIS 69 HE2 HIS 69 11.302 1.608 12.267 510 HB2 HIS 69 1HB HIS 69 6.615 2.630 11.946 511 HB3 HIS 69 2HB HIS 69 6.179 1.112 12.632 512 H HIS 70 H HIS 70 3.963 0.827 12.092 513 HA HIS 70 HA HIS 70 1.913 1.915 10.433 514 HD1 HIS 70 HD1 HIS 70 -1.224 2.325 12.048 515 HD2 HIS 70 HD2 HIS 70 1.934 3.298 14.724 516 HE1 HIS 70 HE1 HIS 70 -2.074 4.197 13.561 517 HE2 HIS 70 HE2 HIS 70 -0.176 4.757 15.234 518 HB2 HIS 70 1HB HIS 70 1.010 0.648 12.135 519 HB3 HIS 70 2HB HIS 70 2.227 1.134 13.306 520 H GLY 71 H GLY 71 1.233 3.934 10.085 521 HA2 GLY 71 1HA GLY 71 1.384 6.156 9.747 522 HA3 GLY 71 2HA GLY 71 1.804 6.279 11.467 523 H ASN 72 H ASN 72 3.950 4.463 9.350 524 HA ASN 72 HA ASN 72 5.910 6.686 9.447 525 HB2 ASN 72 1HB ASN 72 5.906 4.975 11.471 526 HB3 ASN 72 2HB ASN 72 6.692 3.925 10.296 527 HD21 ASN 72 2HD2 ASN 72 8.804 4.514 9.442 528 HD22 ASN 72 1HD2 ASN 72 9.668 5.893 10.155 529 H ALA 73 H ALA 73 4.594 6.054 7.156 530 HA ALA 73 HA ALA 73 6.212 4.385 5.425 531 HB1 ALA 73 1HB ALA 73 4.483 6.827 4.873 532 HB2 ALA 73 2HB ALA 73 5.174 5.750 3.646 533 HB3 ALA 73 3HB ALA 73 3.957 5.127 4.774 534 H LYS 74 H LYS 74 6.909 7.272 7.170 535 HA LYS 74 HA LYS 74 8.145 8.800 5.178 536 HB2 LYS 74 1HB LYS 74 7.469 9.163 7.859 537 HB3 LYS 74 2HB LYS 74 9.228 9.239 7.924 538 HG2 LYS 74 1HG LYS 74 9.334 11.095 6.454 539 HG3 LYS 74 2HG LYS 74 7.701 10.787 5.849 540 HD2 LYS 74 1HD LYS 74 6.778 11.312 8.105 541 HD3 LYS 74 2HD LYS 74 8.400 11.877 8.567 542 HE2 LYS 74 1HE LYS 74 8.314 13.385 6.500 543 HE3 LYS 74 2HE LYS 74 6.632 12.868 6.265 544 HZ1 LYS 74 3HZ LYS 74 6.852 14.981 7.470 545 HZ2 LYS 74 1HZ LYS 74 6.078 13.822 8.380 546 HZ3 LYS 74 2HZ LYS 74 7.658 14.230 8.667 547 H ASP 75 H ASP 75 9.729 6.998 7.829 548 HA ASP 75 HA ASP 75 12.329 7.189 6.848 549 HB2 ASP 75 1HB ASP 75 11.143 4.875 8.440 550 HB3 ASP 75 2HB ASP 75 12.849 5.273 8.296 551 H PHE 76 H PHE 76 9.666 5.090 5.836 552 HA PHE 76 HA PHE 76 11.379 3.214 4.361 553 HD1 PHE 76 HD2 PHE 76 10.289 0.537 4.030 554 HD2 PHE 76 HD1 PHE 76 7.808 3.369 1.888 555 HE1 PHE 76 HE2 PHE 76 9.956 -1.099 2.229 556 HE2 PHE 76 HE1 PHE 76 7.486 1.727 0.108 557 HZ PHE 76 HZ PHE 76 8.527 -0.524 0.264 558 HB2 PHE 76 1HB PHE 76 9.156 2.539 5.181 559 HB3 PHE 76 2HB PHE 76 8.383 3.763 4.210 560 H ALA 77 H ALA 77 9.284 6.005 3.509 561 HA ALA 77 HA ALA 77 9.788 6.114 0.755 562 HB1 ALA 77 1HB ALA 77 7.989 7.338 1.997 563 HB2 ALA 77 2HB ALA 77 9.219 8.387 2.733 564 HB3 ALA 77 3HB ALA 77 8.937 8.429 0.991 565 H MET 78 H MET 78 11.548 7.621 3.431 566 HA MET 78 HA MET 78 13.506 8.983 1.907 567 HB2 MET 78 1HB MET 78 13.921 7.632 4.605 568 HB3 MET 78 2HB MET 78 14.910 8.899 3.876 569 HG2 MET 78 1HG MET 78 12.219 9.868 3.873 570 HG3 MET 78 2HG MET 78 12.502 9.126 5.447 571 HE1 MET 78 3HE MET 78 12.590 12.890 6.161 572 HE2 MET 78 1HE MET 78 11.646 12.085 4.887 573 HE3 MET 78 2HE MET 78 11.818 11.313 6.483 574 H LYS 79 H LYS 79 13.507 5.669 3.238 575 HA LYS 79 HA LYS 79 15.967 4.749 2.221 576 HB2 LYS 79 1HB LYS 79 13.476 3.644 3.428 577 HB3 LYS 79 2HB LYS 79 14.273 2.513 2.396 578 HG2 LYS 79 1HG LYS 79 16.066 3.951 4.336 579 HG3 LYS 79 2HG LYS 79 14.807 2.964 5.041 580 HD2 LYS 79 1HD LYS 79 16.527 1.412 4.823 581 HD3 LYS 79 2HD LYS 79 15.584 1.078 3.383 582 HE2 LYS 79 1HE LYS 79 17.121 2.523 2.047 583 HE3 LYS 79 2HE LYS 79 18.031 2.882 3.526 584 HZ1 LYS 79 3HZ LYS 79 19.160 1.153 2.503 585 HZ2 LYS 79 1HZ LYS 79 18.332 0.399 3.702 586 HZ3 LYS 79 2HZ LYS 79 17.827 0.290 2.136 587 H HIS 80 H HIS 80 13.216 5.473 0.318 588 HA HIS 80 HA HIS 80 14.196 3.642 -1.839 589 HD1 HIS 80 HD1 HIS 80 12.370 1.216 -2.929 590 HD2 HIS 80 HD2 HIS 80 11.949 2.391 1.104 591 HE1 HIS 80 HE1 HIS 80 12.312 -0.947 -1.505 592 HE2 HIS 80 HE2 HIS 80 12.197 -0.161 0.984 593 HB2 HIS 80 1HB HIS 80 11.368 4.275 -0.941 594 HB3 HIS 80 2HB HIS 80 11.722 3.724 -2.571 595 H GLY 81 H GLY 81 13.843 6.911 -0.985 596 HA2 GLY 81 1HA GLY 81 14.780 8.459 -2.727 597 HA3 GLY 81 2HA GLY 81 13.678 7.715 -3.870 598 H ALA 82 H ALA 82 13.269 9.055 -0.485 599 HA ALA 82 HA ALA 82 11.672 11.235 -1.692 600 HB1 ALA 82 1HB ALA 82 10.123 9.458 -0.780 601 HB2 ALA 82 2HB ALA 82 10.847 9.758 0.826 602 HB3 ALA 82 3HB ALA 82 9.953 11.034 0.011 603 H ASP 83 H ASP 83 11.219 12.898 0.016 604 HA ASP 83 HA ASP 83 13.127 13.098 2.253 605 HB2 ASP 83 1HB ASP 83 12.432 15.436 0.424 606 HB3 ASP 83 2HB ASP 83 13.282 15.556 1.956 607 H GLU 84 H GLU 84 12.136 14.853 3.740 608 HA GLU 84 HA GLU 84 9.746 14.012 4.712 609 HB2 GLU 84 1HB GLU 84 11.608 16.149 5.262 610 HB3 GLU 84 2HB GLU 84 9.990 16.834 5.324 611 HG2 GLU 84 1HG GLU 84 9.238 15.181 6.894 612 HG3 GLU 84 2HG GLU 84 10.715 14.242 6.722 613 H THR 85 H THR 85 9.994 16.660 2.413 614 HA THR 85 HA THR 85 7.250 17.400 2.487 615 HB THR 85 HB THR 85 9.529 17.724 0.468 616 HG1 THR 85 1HG THR 85 9.754 19.603 1.356 617 HG21 THR 85 3HG2 THR 85 8.155 19.437 -0.750 618 HG22 THR 85 1HG2 THR 85 7.626 17.779 -1.011 619 HG23 THR 85 2HG2 THR 85 6.716 18.838 0.085 620 H MET 86 H MET 86 9.068 15.144 0.294 621 HA MET 86 HA MET 86 6.773 14.590 -1.410 622 HB2 MET 86 1HB MET 86 9.266 12.937 -0.849 623 HB3 MET 86 2HB MET 86 8.136 12.644 -2.119 624 HG2 MET 86 1HG MET 86 8.710 14.769 -3.219 625 HG3 MET 86 2HG MET 86 9.820 15.164 -1.900 626 HE1 MET 86 3HE MET 86 9.443 11.449 -3.485 627 HE2 MET 86 1HE MET 86 9.017 12.598 -4.779 628 HE3 MET 86 2HE MET 86 10.521 11.662 -4.872 629 H ALA 87 H ALA 87 8.347 13.207 1.454 630 HA ALA 87 HA ALA 87 6.840 10.858 1.578 631 HB1 ALA 87 1HB ALA 87 7.719 10.578 3.747 632 HB2 ALA 87 2HB ALA 87 8.987 11.341 2.790 633 HB3 ALA 87 3HB ALA 87 8.048 12.321 3.941 634 H GLN 88 H GLN 88 6.404 14.050 3.166 635 HA GLN 88 HA GLN 88 3.886 13.318 4.350 636 HB2 GLN 88 1HB GLN 88 5.522 15.700 4.187 637 HB3 GLN 88 2HB GLN 88 3.887 16.155 3.805 638 HG2 GLN 88 1HG GLN 88 4.201 14.319 6.134 639 HG3 GLN 88 2HG GLN 88 4.775 15.999 6.294 640 HE21 GLN 88 2HE2 GLN 88 1.804 14.926 4.488 641 HE22 GLN 88 1HE2 GLN 88 0.709 15.508 5.732 642 H GLN 89 H GLN 89 4.682 14.742 1.214 643 HA GLN 89 HA GLN 89 2.132 15.609 0.425 644 HB2 GLN 89 1HB GLN 89 4.299 14.218 -1.191 645 HB3 GLN 89 2HB GLN 89 2.794 14.670 -1.918 646 HG2 GLN 89 1HG GLN 89 3.970 16.916 -0.410 647 HG3 GLN 89 2HG GLN 89 5.068 16.249 -1.639 648 HE21 GLN 89 2HE2 GLN 89 4.855 17.092 -3.605 649 HE22 GLN 89 1HE2 GLN 89 3.495 17.974 -4.209 650 H LEU 90 H LEU 90 3.433 12.239 0.263 651 HA LEU 90 HA LEU 90 0.960 11.174 -0.756 652 HG LEU 90 HG LEU 90 4.252 11.020 -1.410 653 HB2 LEU 90 1HB LEU 90 3.424 9.871 0.524 654 HB3 LEU 90 2HB LEU 90 2.198 9.037 -0.408 655 HD11 LEU 90 1HD1 LEU 90 4.976 9.220 -2.854 656 HD12 LEU 90 2HD1 LEU 90 5.038 8.734 -1.172 657 HD13 LEU 90 3HD1 LEU 90 3.710 8.137 -2.191 658 HD21 LEU 90 3HD2 LEU 90 1.861 9.944 -2.927 659 HD22 LEU 90 1HD2 LEU 90 2.293 11.642 -2.584 660 HD23 LEU 90 2HD2 LEU 90 3.292 10.691 -3.686 661 H VAL 91 H VAL 91 2.521 11.307 2.572 662 HA VAL 91 HA VAL 91 0.469 9.862 3.821 663 HB VAL 91 HB VAL 91 2.714 11.511 4.642 664 HG11 VAL 91 1HG1 VAL 91 1.043 12.985 5.724 665 HG12 VAL 91 2HG1 VAL 91 0.356 11.574 6.558 666 HG13 VAL 91 3HG1 VAL 91 2.027 12.096 6.894 667 HG21 VAL 91 3HG2 VAL 91 2.751 9.859 6.483 668 HG22 VAL 91 1HG2 VAL 91 1.155 9.263 5.978 669 HG23 VAL 91 2HG2 VAL 91 2.562 9.083 4.901 670 H ASP 92 H ASP 92 0.595 13.310 3.022 671 HA ASP 92 HA ASP 92 -1.865 14.015 4.277 672 HB2 ASP 92 1HB ASP 92 0.072 15.522 3.197 673 HB3 ASP 92 2HB ASP 92 -0.976 15.503 1.793 674 H ILE 93 H ILE 93 -1.256 12.353 1.274 675 HA ILE 93 HA ILE 93 -3.835 12.961 0.067 676 HB ILE 93 HB ILE 93 -1.789 10.791 -0.503 677 HG12 ILE 93 1HG1 ILE 93 -1.535 13.476 -0.947 678 HG13 ILE 93 2HG1 ILE 93 -0.744 12.221 -1.890 679 HG21 ILE 93 1HG2 ILE 93 -3.012 10.515 -2.694 680 HG22 ILE 93 2HG2 ILE 93 -3.876 9.930 -1.253 681 HG23 ILE 93 3HG2 ILE 93 -4.325 11.482 -1.965 682 HD11 ILE 93 3HD1 ILE 93 -3.385 13.520 -2.611 683 HD12 ILE 93 1HD1 ILE 93 -1.804 14.099 -3.139 684 HD13 ILE 93 2HD1 ILE 93 -2.339 12.483 -3.643 685 H ILE 94 H ILE 94 -2.498 10.385 2.244 686 HA ILE 94 HA ILE 94 -5.039 8.901 2.039 687 HB ILE 94 HB ILE 94 -2.828 7.799 1.905 688 HG12 ILE 94 1HG1 ILE 94 -3.632 6.352 4.194 689 HG13 ILE 94 2HG1 ILE 94 -5.097 7.048 3.568 690 HG21 ILE 94 1HG2 ILE 94 -2.405 8.596 4.781 691 HG22 ILE 94 2HG2 ILE 94 -1.438 7.442 3.852 692 HG23 ILE 94 3HG2 ILE 94 -1.478 9.093 3.332 693 HD11 ILE 94 3HD1 ILE 94 -3.081 5.448 1.920 694 HD12 ILE 94 1HD1 ILE 94 -4.589 4.819 2.596 695 HD13 ILE 94 2HD1 ILE 94 -4.642 6.080 1.339 696 H HIS 95 H HIS 95 -3.196 10.972 4.292 697 HA HIS 95 HA HIS 95 -5.220 10.791 6.343 698 HD1 HIS 95 HD1 HIS 95 -3.317 12.470 9.458 699 HD2 HIS 95 HD2 HIS 95 -3.151 9.242 6.724 700 HE1 HIS 95 HE1 HIS 95 -3.225 10.283 10.836 701 HE2 HIS 95 HE2 HIS 95 -3.020 8.380 9.227 702 HB2 HIS 95 1HB HIS 95 -2.721 12.421 6.031 703 HB3 HIS 95 2HB HIS 95 -3.997 13.056 7.046 704 H GLY 96 H GLY 96 -5.037 12.559 3.358 705 HA2 GLY 96 1HA GLY 96 -7.249 14.266 3.930 706 HA3 GLY 96 2HA GLY 96 -6.781 13.601 2.357 707 H CYS 97 H CYS 97 -7.152 11.102 2.202 708 HA CYS 97 HA CYS 97 -9.959 11.055 2.298 709 HB2 CYS 97 1HB CYS 97 -8.187 9.934 0.630 710 HB3 CYS 97 2HB CYS 97 -8.618 8.515 1.559 711 H GLU 98 H GLU 98 -7.723 9.424 4.535 712 HA GLU 98 HA GLU 98 -9.467 7.515 5.637 713 HB2 GLU 98 1HB GLU 98 -7.981 7.472 7.522 714 HB3 GLU 98 2HB GLU 98 -7.046 7.694 6.047 715 HG2 GLU 98 1HG GLU 98 -5.989 9.149 7.269 716 HG3 GLU 98 2HG GLU 98 -7.229 10.237 6.578 717 H LYS 99 H LYS 99 -9.056 10.909 6.267 718 HA LYS 99 HA LYS 99 -10.822 11.076 8.559 719 HB2 LYS 99 1HB LYS 99 -9.038 12.372 8.789 720 HB3 LYS 99 2HB LYS 99 -8.890 12.688 7.080 721 HG2 LYS 99 1HG LYS 99 -11.013 14.047 8.743 722 HG3 LYS 99 2HG LYS 99 -9.359 14.663 8.637 723 HD2 LYS 99 1HD LYS 99 -11.077 14.128 6.194 724 HD3 LYS 99 2HD LYS 99 -10.919 15.712 6.986 725 HE2 LYS 99 1HE LYS 99 -8.601 15.811 6.444 726 HE3 LYS 99 2HE LYS 99 -8.615 14.110 5.922 727 HZ1 LYS 99 3HZ LYS 99 -8.825 16.035 4.179 728 HZ2 LYS 99 1HZ LYS 99 -9.642 14.638 3.957 729 HZ3 LYS 99 2HZ LYS 99 -10.413 15.966 4.538 730 H SER 100 H SER 100 -11.231 10.936 5.234 731 HA SER 100 HA SER 100 -13.649 12.598 5.222 732 HG SER 100 HG SER 100 -13.174 13.690 2.162 733 HB2 SER 100 1HB SER 100 -11.349 13.222 4.019 734 HB3 SER 100 2HB SER 100 -11.962 12.137 2.770 735 H ALA 101 H ALA 101 -12.944 9.497 5.551 736 HA ALA 101 HA ALA 101 -13.636 8.242 3.140 737 HB1 ALA 101 1HB ALA 101 -13.542 7.098 5.967 738 HB2 ALA 101 2HB ALA 101 -13.513 6.175 4.442 739 HB3 ALA 101 3HB ALA 101 -12.165 7.237 4.839 740 HA PRO 102 HA PRO 102 -17.931 8.590 3.219 741 HB2 PRO 102 1HB PRO 102 -18.794 6.392 1.749 742 HB3 PRO 102 2HB PRO 102 -17.960 7.811 1.056 743 HG2 PRO 102 1HG PRO 102 -16.798 5.139 1.832 744 HG3 PRO 102 2HG PRO 102 -16.467 6.113 0.366 745 HD2 PRO 102 1HD PRO 102 -14.813 6.077 2.549 746 HD3 PRO 102 2HD PRO 102 -14.990 7.564 1.585 747 HA PRO 103 HA PRO 103 -19.767 6.245 6.488 748 HB2 PRO 103 1HB PRO 103 -22.445 6.270 5.932 749 HB3 PRO 103 2HB PRO 103 -21.526 7.661 6.546 750 HG2 PRO 103 1HG PRO 103 -22.343 7.051 3.696 751 HG3 PRO 103 2HG PRO 103 -22.395 8.624 4.546 752 HD2 PRO 103 1HD PRO 103 -20.366 7.851 2.851 753 HD3 PRO 103 2HD PRO 103 -20.093 8.959 4.238 754 H ASN 104 H ASN 104 -19.204 4.280 6.499 755 HA ASN 104 HA ASN 104 -20.705 2.096 5.404 756 HB2 ASN 104 1HB ASN 104 -19.433 2.629 3.349 757 HB3 ASN 104 2HB ASN 104 -17.918 2.531 4.246 758 HD21 ASN 104 2HD2 ASN 104 -17.118 0.800 2.952 759 HD22 ASN 104 1HD2 ASN 104 -17.764 -0.832 3.105 760 H ASP 105 H ASP 105 -17.386 2.938 6.350 761 HA ASP 105 HA ASP 105 -15.866 2.181 7.799 762 HB2 ASP 105 1HB ASP 105 -18.191 1.924 9.693 763 HB3 ASP 105 2HB ASP 105 -16.488 1.802 10.135 764 H ASP 106 H ASP 106 -14.942 0.326 7.007 765 HA ASP 106 HA ASP 106 -15.516 -2.162 8.402 766 HB2 ASP 106 1HB ASP 106 -17.106 -2.255 6.494 767 HB3 ASP 106 2HB ASP 106 -15.802 -1.819 5.392 768 H LYS 107 H LYS 107 -13.494 -3.500 8.297 769 HA LYS 107 HA LYS 107 -11.213 -1.713 8.230 770 HB2 LYS 107 1HB LYS 107 -11.569 -4.716 8.742 771 HB3 LYS 107 2HB LYS 107 -10.005 -3.902 8.731 772 HG2 LYS 107 1HG LYS 107 -10.458 -3.921 10.941 773 HG3 LYS 107 2HG LYS 107 -10.957 -2.299 10.466 774 HD2 LYS 107 1HD LYS 107 -13.346 -3.103 10.450 775 HD3 LYS 107 2HD LYS 107 -12.768 -4.675 11.067 776 HE2 LYS 107 1HE LYS 107 -11.739 -3.476 13.016 777 HE3 LYS 107 2HE LYS 107 -12.307 -1.941 12.342 778 HZ1 LYS 107 3HZ LYS 107 -14.108 -2.237 13.461 779 HZ2 LYS 107 1HZ LYS 107 -14.538 -3.448 12.462 780 HZ3 LYS 107 2HZ LYS 107 -13.746 -3.812 13.880 781 H CYS 108 H CYS 108 -12.792 -3.831 5.983 782 HA CYS 108 HA CYS 108 -10.378 -3.965 4.340 783 HB2 CYS 108 1HB CYS 108 -13.067 -5.277 3.828 784 HB3 CYS 108 2HB CYS 108 -11.538 -5.524 2.986 785 H MET 109 H MET 109 -13.884 -3.080 4.151 786 HA MET 109 HA MET 109 -13.488 -2.023 1.538 787 HB2 MET 109 1HB MET 109 -15.858 -1.556 3.325 788 HB3 MET 109 2HB MET 109 -15.780 -1.267 1.595 789 HG2 MET 109 1HG MET 109 -14.906 -3.882 1.740 790 HG3 MET 109 2HG MET 109 -16.056 -3.820 3.076 791 HE1 MET 109 3HE MET 109 -16.971 -3.294 -1.436 792 HE2 MET 109 1HE MET 109 -15.992 -2.099 -0.559 793 HE3 MET 109 2HE MET 109 -15.409 -3.768 -0.736 794 H LYS 110 H LYS 110 -13.581 -0.307 4.722 795 HA LYS 110 HA LYS 110 -13.597 2.360 3.600 796 HB2 LYS 110 1HB LYS 110 -14.007 1.935 6.044 797 HB3 LYS 110 2HB LYS 110 -12.316 1.409 6.199 798 HG2 LYS 110 1HG LYS 110 -11.723 3.759 5.218 799 HG3 LYS 110 2HG LYS 110 -13.368 4.200 5.628 800 HD2 LYS 110 1HD LYS 110 -11.428 3.029 7.653 801 HD3 LYS 110 2HD LYS 110 -11.414 4.730 7.215 802 HE2 LYS 110 1HE LYS 110 -13.806 4.938 7.921 803 HE3 LYS 110 2HE LYS 110 -13.767 3.279 8.526 804 HZ1 LYS 110 3HZ LYS 110 -11.876 3.973 9.914 805 HZ2 LYS 110 1HZ LYS 110 -12.070 5.545 9.457 806 HZ3 LYS 110 2HZ LYS 110 -13.255 4.748 10.297 807 H THR 111 H THR 111 -11.044 0.028 4.477 808 HA THR 111 HA THR 111 -8.876 1.681 3.690 809 HB THR 111 HB THR 111 -9.269 -1.273 4.121 810 HG1 THR 111 1HG THR 111 -8.039 0.918 5.428 811 HG21 THR 111 3HG2 THR 111 -6.703 -0.013 3.112 812 HG22 THR 111 1HG2 THR 111 -6.818 -1.602 3.911 813 HG23 THR 111 2HG2 THR 111 -7.633 -1.327 2.366 814 H ILE 112 H ILE 112 -10.931 -0.532 1.662 815 HA ILE 112 HA ILE 112 -9.399 -0.072 -0.694 816 HB ILE 112 HB ILE 112 -12.344 -0.751 -0.352 817 HG12 ILE 112 1HG1 ILE 112 -9.964 -2.449 -1.192 818 HG13 ILE 112 2HG1 ILE 112 -10.561 -2.342 0.430 819 HG21 ILE 112 1HG2 ILE 112 -10.684 -0.698 -2.913 820 HG22 ILE 112 2HG2 ILE 112 -12.306 -1.419 -2.774 821 HG23 ILE 112 3HG2 ILE 112 -12.099 0.303 -2.560 822 HD11 ILE 112 3HD1 ILE 112 -12.808 -3.155 -0.328 823 HD12 ILE 112 1HD1 ILE 112 -12.114 -3.437 -1.941 824 HD13 ILE 112 2HD1 ILE 112 -11.491 -4.319 -0.548 825 H ASP 113 H ASP 113 -12.222 1.749 0.656 826 HA ASP 113 HA ASP 113 -12.446 3.543 -1.536 827 HB2 ASP 113 1HB ASP 113 -13.332 3.624 1.333 828 HB3 ASP 113 2HB ASP 113 -13.278 5.149 0.454 829 H VAL 114 H VAL 114 -10.696 3.997 1.577 830 HA VAL 114 HA VAL 114 -9.466 6.456 0.927 831 HB VAL 114 HB VAL 114 -8.689 4.222 2.839 832 HG11 VAL 114 1HG1 VAL 114 -7.837 7.168 3.047 833 HG12 VAL 114 2HG1 VAL 114 -7.442 5.858 4.153 834 HG13 VAL 114 3HG1 VAL 114 -6.795 5.836 2.510 835 HG21 VAL 114 3HG2 VAL 114 -10.973 5.196 3.234 836 HG22 VAL 114 1HG2 VAL 114 -9.847 5.571 4.530 837 HG23 VAL 114 2HG2 VAL 114 -10.255 6.802 3.309 838 H ALA 115 H ALA 115 -8.433 3.059 0.198 839 HA ALA 115 HA ALA 115 -5.831 3.755 -0.782 840 HB1 ALA 115 1HB ALA 115 -5.857 1.454 -1.749 841 HB2 ALA 115 2HB ALA 115 -6.338 1.472 -0.044 842 HB3 ALA 115 3HB ALA 115 -7.569 1.292 -1.308 843 H MET 116 H MET 116 -8.960 3.131 -2.485 844 HA MET 116 HA MET 116 -7.738 3.607 -5.089 845 HB2 MET 116 1HB MET 116 -9.861 3.375 -6.021 846 HB3 MET 116 2HB MET 116 -9.725 2.148 -4.782 847 HG2 MET 116 1HG MET 116 -11.421 3.040 -3.512 848 HG3 MET 116 2HG MET 116 -11.065 4.691 -3.917 849 HE1 MET 116 3HE MET 116 -12.607 1.334 -5.336 850 HE2 MET 116 1HE MET 116 -13.235 1.901 -6.897 851 HE3 MET 116 2HE MET 116 -11.488 1.851 -6.631 852 H CYS 117 H CYS 117 -9.333 5.563 -2.629 853 HA CYS 117 HA CYS 117 -9.704 7.969 -3.987 854 HB2 CYS 117 1HB CYS 117 -10.301 7.424 -1.557 855 HB3 CYS 117 2HB CYS 117 -8.618 7.647 -1.161 856 H PHE 118 H PHE 118 -6.818 6.754 -2.162 857 HA PHE 118 HA PHE 118 -4.973 8.658 -2.670 858 HD1 PHE 118 HD1 PHE 118 -2.142 6.588 -4.269 859 HD2 PHE 118 HD2 PHE 118 -3.138 7.561 -0.184 860 HE1 PHE 118 HE1 PHE 118 0.236 7.136 -3.780 861 HE2 PHE 118 HE2 PHE 118 -0.774 8.127 0.259 862 HZ PHE 118 HZ PHE 118 0.900 7.999 -1.659 863 HB2 PHE 118 1HB PHE 118 -4.699 6.395 -1.468 864 HB3 PHE 118 2HB PHE 118 -4.263 5.730 -3.032 865 H LYS 119 H LYS 119 -5.531 5.912 -4.982 866 HA LYS 119 HA LYS 119 -3.686 6.930 -6.854 867 HB2 LYS 119 1HB LYS 119 -4.858 4.562 -6.693 868 HB3 LYS 119 2HB LYS 119 -6.087 5.302 -7.717 869 HG2 LYS 119 1HG LYS 119 -4.594 4.264 -9.214 870 HG3 LYS 119 2HG LYS 119 -4.163 5.972 -9.311 871 HD2 LYS 119 1HD LYS 119 -2.050 4.941 -9.147 872 HD3 LYS 119 2HD LYS 119 -2.372 5.283 -7.444 873 HE2 LYS 119 1HE LYS 119 -1.984 3.034 -7.175 874 HE3 LYS 119 2HE LYS 119 -3.676 2.930 -7.628 875 HZ1 LYS 119 3HZ LYS 119 -2.759 2.744 -9.994 876 HZ2 LYS 119 1HZ LYS 119 -1.320 2.417 -9.290 877 HZ3 LYS 119 2HZ LYS 119 -2.594 1.425 -8.987 878 H LYS 120 H LYS 120 -7.177 7.705 -6.548 879 HA LYS 120 HA LYS 120 -7.172 9.263 -9.041 880 HB2 LYS 120 1HB LYS 120 -9.068 9.044 -6.689 881 HB3 LYS 120 2HB LYS 120 -9.053 10.517 -7.645 882 HG2 LYS 120 1HG LYS 120 -10.725 9.246 -8.650 883 HG3 LYS 120 2HG LYS 120 -9.344 9.189 -9.737 884 HD2 LYS 120 1HD LYS 120 -10.268 7.010 -9.701 885 HD3 LYS 120 2HD LYS 120 -8.782 6.900 -8.739 886 HE2 LYS 120 1HE LYS 120 -10.072 7.036 -6.666 887 HE3 LYS 120 2HE LYS 120 -11.567 7.324 -7.560 888 HZ1 LYS 120 3HZ LYS 120 -9.952 4.864 -7.827 889 HZ2 LYS 120 1HZ LYS 120 -11.282 5.025 -6.848 890 HZ3 LYS 120 2HZ LYS 120 -11.475 5.160 -8.449 891 H GLU 121 H GLU 121 -6.575 9.990 -5.557 892 HA GLU 121 HA GLU 121 -6.441 12.801 -5.935 893 HB2 GLU 121 1HB GLU 121 -5.330 10.951 -3.827 894 HB3 GLU 121 2HB GLU 121 -5.310 12.705 -3.675 895 HG2 GLU 121 1HG GLU 121 -7.904 11.150 -4.050 896 HG3 GLU 121 2HG GLU 121 -7.150 11.352 -2.466 897 H ILE 122 H ILE 122 -3.961 10.252 -6.482 898 HA ILE 122 HA ILE 122 -1.701 11.884 -6.469 899 HB ILE 122 HB ILE 122 -2.423 9.479 -8.206 900 HG12 ILE 122 1HG1 ILE 122 -1.009 9.788 -5.533 901 HG13 ILE 122 2HG1 ILE 122 -2.380 8.810 -5.959 902 HG21 ILE 122 1HG2 ILE 122 0.354 10.581 -7.755 903 HG22 ILE 122 2HG2 ILE 122 -0.096 9.146 -8.703 904 HG23 ILE 122 3HG2 ILE 122 -0.566 10.728 -9.278 905 HD11 ILE 122 3HD1 ILE 122 0.463 8.197 -6.645 906 HD12 ILE 122 1HD1 ILE 122 -0.644 7.294 -5.640 907 HD13 ILE 122 2HD1 ILE 122 -0.948 7.352 -7.373 908 H HIS 123 H HIS 123 -4.419 12.010 -8.690 909 HA HIS 123 HA HIS 123 -3.339 13.265 -10.940 910 HD1 HIS 123 HD1 HIS 123 -7.415 13.343 -12.400 911 HD2 HIS 123 HD2 HIS 123 -4.845 10.668 -10.374 912 HE1 HIS 123 HE1 HIS 123 -7.827 10.988 -13.390 913 HE2 HIS 123 HE2 HIS 123 -6.213 9.384 -12.120 914 HB2 HIS 123 1HB HIS 123 -5.934 13.642 -9.403 915 HB3 HIS 123 2HB HIS 123 -5.586 14.491 -10.880 916 H LYS 124 H LYS 124 -3.816 14.603 -7.593 917 HA LYS 124 HA LYS 124 -3.348 17.323 -8.637 918 HB2 LYS 124 1HB LYS 124 -3.806 18.114 -6.509 919 HB3 LYS 124 2HB LYS 124 -4.969 16.848 -6.895 920 HG2 LYS 124 1HG LYS 124 -3.059 15.422 -5.482 921 HG3 LYS 124 2HG LYS 124 -2.880 17.002 -4.786 922 HD2 LYS 124 1HD LYS 124 -5.617 16.815 -4.786 923 HD3 LYS 124 2HD LYS 124 -5.185 15.101 -4.698 924 HE2 LYS 124 1HE LYS 124 -5.491 15.861 -2.445 925 HE3 LYS 124 2HE LYS 124 -3.744 15.699 -2.670 926 HZ1 LYS 124 3HZ LYS 124 -5.291 18.224 -2.706 927 HZ2 LYS 124 1HZ LYS 124 -4.154 17.730 -1.606 928 HZ3 LYS 124 2HZ LYS 124 -3.663 18.101 -3.096 929 H LEU 125 H LEU 125 -1.483 14.680 -7.314 930 HA LEU 125 HA LEU 125 0.763 16.266 -6.436 931 HG LEU 125 HG LEU 125 -0.783 13.754 -5.277 932 HB2 LEU 125 1HB LEU 125 0.688 13.341 -7.289 933 HB3 LEU 125 2HB LEU 125 1.988 14.120 -6.440 934 HD11 LEU 125 1HD1 LEU 125 0.324 12.025 -3.915 935 HD12 LEU 125 2HD1 LEU 125 0.473 11.646 -5.635 936 HD13 LEU 125 3HD1 LEU 125 1.854 12.345 -4.773 937 HD21 LEU 125 3HD2 LEU 125 1.825 14.869 -4.142 938 HD22 LEU 125 1HD2 LEU 125 0.241 15.671 -4.220 939 HD23 LEU 125 2HD2 LEU 125 0.491 14.315 -3.122 940 H ASN 126 H ASN 126 0.009 14.401 -9.391 941 HA ASN 126 HA ASN 126 0.653 14.571 -11.534 942 HB2 ASN 126 1HB ASN 126 1.846 17.270 -10.784 943 HB3 ASN 126 2HB ASN 126 1.884 16.597 -12.400 944 HD21 ASN 126 2HD2 ASN 126 -0.360 17.564 -9.786 945 HD22 ASN 126 1HD2 ASN 126 -1.738 17.114 -10.710 946 H TRP 127 H TRP 127 2.743 14.173 -9.125 947 HA TRP 127 HA TRP 127 4.763 12.983 -10.984 948 HD1 TRP 127 HD1 TRP 127 4.048 15.346 -7.540 949 HE1 TRP 127 HE1 TRP 127 4.023 15.034 -5.018 950 HE3 TRP 127 HE3 TRP 127 6.545 10.863 -7.260 951 HZ2 TRP 127 HZ2 TRP 127 5.007 13.160 -3.102 952 HZ3 TRP 127 HZ3 TRP 127 7.117 9.925 -5.025 953 HH2 TRP 127 HH2 TRP 127 6.380 11.070 -2.944 954 HB2 TRP 127 1HB TRP 127 6.204 12.518 -9.104 955 HB3 TRP 127 2HB TRP 127 5.988 14.216 -9.351 956 H VAL 128 H VAL 128 5.375 10.737 -10.167 957 HA VAL 128 HA VAL 128 3.022 9.264 -9.135 958 HB VAL 128 HB VAL 128 4.837 8.490 -11.436 959 HG11 VAL 128 1HG1 VAL 128 4.201 6.494 -10.143 960 HG12 VAL 128 2HG1 VAL 128 2.493 7.006 -10.158 961 HG13 VAL 128 3HG1 VAL 128 3.315 6.515 -11.667 962 HG21 VAL 128 3HG2 VAL 128 1.869 9.250 -11.372 963 HG22 VAL 128 1HG2 VAL 128 3.173 10.119 -12.208 964 HG23 VAL 128 2HG2 VAL 128 2.680 8.529 -12.778 965 HA PRO 129 HA PRO 129 6.387 8.189 -6.408 966 HB2 PRO 129 1HB PRO 129 4.661 5.987 -5.366 967 HB3 PRO 129 2HB PRO 129 5.302 7.425 -4.518 968 HG2 PRO 129 1HG PRO 129 2.659 7.225 -5.128 969 HG3 PRO 129 2HG PRO 129 3.541 8.776 -5.241 970 HD2 PRO 129 1HD PRO 129 3.001 6.761 -7.452 971 HD3 PRO 129 2HD PRO 129 2.614 8.500 -7.404 972 H ASN 130 H ASN 130 7.656 6.230 -5.726 973 HA ASN 130 HA ASN 130 8.341 4.214 -7.633 974 HB2 ASN 130 1HB ASN 130 8.488 4.488 -4.598 975 HB3 ASN 130 2HB ASN 130 8.792 2.939 -5.308 976 HD21 ASN 130 2HD2 ASN 130 10.416 5.456 -4.054 977 HD22 ASN 130 1HD2 ASN 130 11.844 5.432 -5.026 978 H MET 131 H MET 131 7.615 1.961 -7.689 979 HA MET 131 HA MET 131 4.817 1.561 -7.099 980 HB2 MET 131 1HB MET 131 5.025 -0.623 -7.842 981 HB3 MET 131 2HB MET 131 6.125 0.309 -8.829 982 HG2 MET 131 1HG MET 131 7.796 -1.058 -8.344 983 HG3 MET 131 2HG MET 131 7.642 -0.777 -6.624 984 HE1 MET 131 3HE MET 131 5.393 -3.636 -5.328 985 HE2 MET 131 1HE MET 131 6.915 -2.840 -4.898 986 HE3 MET 131 2HE MET 131 5.492 -1.876 -5.311 987 H ASP 132 H ASP 132 7.788 1.081 -5.206 988 HA ASP 132 HA ASP 132 6.579 -0.459 -3.094 989 HB2 ASP 132 1HB ASP 132 9.080 1.296 -3.210 990 HB3 ASP 132 2HB ASP 132 8.611 0.358 -1.806 991 H LEU 133 H LEU 133 7.186 3.022 -3.655 992 HA LEU 133 HA LEU 133 6.366 3.994 -1.156 993 HG LEU 133 HG LEU 133 8.451 5.377 -2.602 994 HB2 LEU 133 1HB LEU 133 6.320 5.200 -3.918 995 HB3 LEU 133 2HB LEU 133 5.491 6.025 -2.612 996 HD11 LEU 133 1HD1 LEU 133 8.663 7.878 -2.904 997 HD12 LEU 133 2HD1 LEU 133 7.905 7.102 -4.279 998 HD13 LEU 133 3HD1 LEU 133 6.919 7.983 -3.089 999 HD21 LEU 133 3HD2 LEU 133 8.432 7.067 -0.732 1000 HD22 LEU 133 1HD2 LEU 133 6.661 6.888 -0.656 1001 HD23 LEU 133 2HD2 LEU 133 7.728 5.507 -0.333 1002 H VAL 134 H VAL 134 4.329 3.450 -4.090 1003 HA VAL 134 HA VAL 134 1.924 4.467 -3.048 1004 HB VAL 134 HB VAL 134 2.288 2.113 -4.955 1005 HG11 VAL 134 1HG1 VAL 134 -0.011 2.285 -3.987 1006 HG12 VAL 134 2HG1 VAL 134 -0.129 3.946 -4.576 1007 HG13 VAL 134 3HG1 VAL 134 0.022 2.603 -5.734 1008 HG21 VAL 134 3HG2 VAL 134 1.904 3.793 -6.736 1009 HG22 VAL 134 1HG2 VAL 134 1.869 5.087 -5.525 1010 HG23 VAL 134 2HG2 VAL 134 3.358 4.165 -5.831 1011 H ILE 135 H ILE 135 3.217 1.101 -2.710 1012 HA ILE 135 HA ILE 135 0.918 0.266 -1.122 1013 HB ILE 135 HB ILE 135 3.611 -1.045 -1.598 1014 HG12 ILE 135 1HG1 ILE 135 0.899 -1.894 -2.653 1015 HG13 ILE 135 2HG1 ILE 135 1.986 -0.857 -3.579 1016 HG21 ILE 135 1HG2 ILE 135 2.895 -1.955 0.453 1017 HG22 ILE 135 2HG2 ILE 135 1.174 -1.783 0.055 1018 HG23 ILE 135 3HG2 ILE 135 2.111 -3.082 -0.666 1019 HD11 ILE 135 3HD1 ILE 135 3.731 -2.592 -3.566 1020 HD12 ILE 135 1HD1 ILE 135 2.679 -3.683 -2.650 1021 HD13 ILE 135 2HD1 ILE 135 2.216 -3.197 -4.274 1022 H GLY 136 H GLY 136 4.395 0.858 -0.323 1023 HA2 GLY 136 1HA GLY 136 4.346 0.585 2.403 1024 HA3 GLY 136 2HA GLY 136 5.366 1.747 1.549 1025 H GLU 137 H GLU 137 3.042 3.402 0.574 1026 HA GLU 137 HA GLU 137 2.625 4.993 2.907 1027 HB2 GLU 137 1HB GLU 137 2.372 5.537 0.167 1028 HB3 GLU 137 2HB GLU 137 0.701 5.432 0.685 1029 HG2 GLU 137 1HG GLU 137 1.338 7.684 1.029 1030 HG3 GLU 137 2HG GLU 137 1.263 6.966 2.626 1031 H VAL 138 H VAL 138 0.269 3.178 0.828 1032 HA VAL 138 HA VAL 138 -1.871 3.451 2.457 1033 HB VAL 138 HB VAL 138 -1.626 2.281 0.136 1034 HG11 VAL 138 1HG1 VAL 138 -2.223 -0.072 0.119 1035 HG12 VAL 138 2HG1 VAL 138 -0.611 0.140 0.791 1036 HG13 VAL 138 3HG1 VAL 138 -1.983 -0.161 1.872 1037 HG21 VAL 138 3HG2 VAL 138 -3.710 3.053 1.141 1038 HG22 VAL 138 1HG2 VAL 138 -3.978 1.423 0.493 1039 HG23 VAL 138 2HG2 VAL 138 -3.739 1.661 2.232 1040 H LEU 139 H LEU 139 0.518 0.879 2.764 1041 HA LEU 139 HA LEU 139 -0.681 -0.595 4.879 1042 HG LEU 139 HG LEU 139 1.456 -1.153 2.319 1043 HB2 LEU 139 1HB LEU 139 2.291 -0.207 4.324 1044 HB3 LEU 139 2HB LEU 139 1.575 -1.477 5.309 1045 HD11 LEU 139 1HD1 LEU 139 2.404 -3.420 4.097 1046 HD12 LEU 139 2HD1 LEU 139 2.381 -3.431 2.308 1047 HD13 LEU 139 3HD1 LEU 139 3.416 -2.291 3.152 1048 HD21 LEU 139 3HD2 LEU 139 -0.240 -3.031 3.952 1049 HD22 LEU 139 1HD2 LEU 139 -0.784 -1.736 2.869 1050 HD23 LEU 139 2HD2 LEU 139 0.047 -3.146 2.189 1051 H ALA 140 H ALA 140 1.059 2.437 5.046 1052 HA ALA 140 HA ALA 140 1.767 2.212 7.823 1053 HB1 ALA 140 1HB ALA 140 1.695 4.654 5.997 1054 HB2 ALA 140 2HB ALA 140 2.623 4.450 7.499 1055 HB3 ALA 140 3HB ALA 140 3.009 3.497 6.054 1056 H GLU 141 H GLU 141 -0.857 3.989 6.066 1057 HA GLU 141 HA GLU 141 -1.917 5.130 8.517 1058 HB2 GLU 141 1HB GLU 141 -2.227 6.122 6.258 1059 HB3 GLU 141 2HB GLU 141 -3.298 4.774 5.829 1060 HG2 GLU 141 1HG GLU 141 -3.847 6.853 7.954 1061 HG3 GLU 141 2HG GLU 141 -4.372 6.980 6.270 1062 H VAL 142 H VAL 142 -2.698 2.366 6.416 1063 HA VAL 142 HA VAL 142 -5.248 1.940 7.122 1064 HB VAL 142 HB VAL 142 -3.092 0.248 5.891 1065 HG11 VAL 142 1HG1 VAL 142 -4.632 -1.548 5.366 1066 HG12 VAL 142 2HG1 VAL 142 -4.487 -1.436 7.126 1067 HG13 VAL 142 3HG1 VAL 142 -5.922 -0.795 6.302 1068 HG21 VAL 142 3HG2 VAL 142 -4.302 2.094 4.692 1069 HG22 VAL 142 1HG2 VAL 142 -4.504 0.487 3.957 1070 HG23 VAL 142 2HG2 VAL 142 -5.804 1.201 4.922 Start of MODEL 20 1 HA SER 1 HA SER 1 25.978 -10.559 -8.264 2 HG SER 1 HG SER 1 24.637 -8.339 -10.890 3 H1 SER 1 H SER 1 24.577 -11.105 -10.801 4 HB2 SER 1 1HB SER 1 26.064 -8.156 -9.044 5 HB3 SER 1 2HB SER 1 27.123 -9.323 -9.830 6 HA PRO 2 HA PRO 2 21.871 -9.544 -6.879 7 HB2 PRO 2 1HB PRO 2 22.399 -8.904 -4.315 8 HB3 PRO 2 2HB PRO 2 22.659 -10.522 -5.023 9 HG2 PRO 2 1HG PRO 2 24.719 -8.380 -4.422 10 HG3 PRO 2 2HG PRO 2 24.851 -10.146 -4.175 11 HD2 PRO 2 1HD PRO 2 25.735 -8.643 -6.424 12 HD3 PRO 2 2HD PRO 2 25.619 -10.421 -6.359 13 H GLU 3 H GLU 3 22.027 -7.883 -8.485 14 HA GLU 3 HA GLU 3 22.981 -5.245 -7.609 15 HB2 GLU 3 1HB GLU 3 23.562 -6.411 -9.810 16 HB3 GLU 3 2HB GLU 3 21.989 -5.834 -10.395 17 HG2 GLU 3 1HG GLU 3 22.663 -3.502 -9.712 18 HG3 GLU 3 2HG GLU 3 24.251 -4.124 -9.237 19 H ILE 4 H ILE 4 19.877 -6.250 -9.242 20 HA ILE 4 HA ILE 4 18.513 -4.175 -7.614 21 HB ILE 4 HB ILE 4 17.177 -3.488 -9.556 22 HG12 ILE 4 1HG1 ILE 4 19.380 -4.649 -11.311 23 HG13 ILE 4 2HG1 ILE 4 17.871 -5.521 -10.989 24 HG21 ILE 4 1HG2 ILE 4 19.044 -2.149 -8.602 25 HG22 ILE 4 2HG2 ILE 4 20.134 -2.828 -9.833 26 HG23 ILE 4 3HG2 ILE 4 18.746 -1.829 -10.307 27 HD11 ILE 4 3HD1 ILE 4 16.568 -3.601 -11.861 28 HD12 ILE 4 1HD1 ILE 4 18.089 -2.771 -12.266 29 HD13 ILE 4 2HD1 ILE 4 17.669 -4.292 -13.071 30 H MET 5 H MET 5 18.622 -6.869 -7.068 31 HA MET 5 HA MET 5 15.774 -7.664 -7.384 32 HB2 MET 5 1HB MET 5 18.255 -9.225 -8.086 33 HB3 MET 5 2HB MET 5 16.753 -10.073 -7.688 34 HG2 MET 5 1HG MET 5 15.559 -8.704 -9.390 35 HG3 MET 5 2HG MET 5 17.103 -8.045 -9.923 36 HE1 MET 5 3HE MET 5 15.443 -8.884 -11.943 37 HE2 MET 5 1HE MET 5 15.664 -10.459 -12.713 38 HE3 MET 5 2HE MET 5 14.541 -10.280 -11.344 39 H LYS 6 H LYS 6 17.024 -6.467 -5.138 40 HA LYS 6 HA LYS 6 15.932 -8.385 -3.245 41 HB2 LYS 6 1HB LYS 6 17.741 -8.544 -1.716 42 HB3 LYS 6 2HB LYS 6 18.346 -8.924 -3.344 43 HG2 LYS 6 1HG LYS 6 19.043 -6.528 -3.557 44 HG3 LYS 6 2HG LYS 6 18.619 -6.301 -1.856 45 HD2 LYS 6 1HD LYS 6 20.264 -8.114 -1.240 46 HD3 LYS 6 2HD LYS 6 20.697 -8.240 -2.941 47 HE2 LYS 6 1HE LYS 6 22.393 -6.902 -1.942 48 HE3 LYS 6 2HE LYS 6 21.400 -5.797 -2.886 49 HZ1 LYS 6 3HZ LYS 6 20.294 -5.130 -0.833 50 HZ2 LYS 6 1HZ LYS 6 21.183 -6.191 0.058 51 HZ3 LYS 6 2HZ LYS 6 21.908 -4.931 -0.703 52 H ASN 7 H ASN 7 14.940 -6.008 -4.229 53 HA ASN 7 HA ASN 7 15.250 -4.174 -1.884 54 HB2 ASN 7 1HB ASN 7 14.667 -3.317 -4.723 55 HB3 ASN 7 2HB ASN 7 15.231 -2.357 -3.348 56 HD21 ASN 7 2HD2 ASN 7 16.074 -4.570 -5.939 57 HD22 ASN 7 1HD2 ASN 7 17.831 -4.203 -5.812 58 H LEU 8 H LEU 8 13.412 -4.633 -0.775 59 HA LEU 8 HA LEU 8 11.266 -5.399 -0.374 60 HG LEU 8 HG LEU 8 9.914 -2.171 0.506 61 HB2 LEU 8 1HB LEU 8 11.712 -2.702 -0.849 62 HB3 LEU 8 2HB LEU 8 10.266 -2.993 -1.763 63 HD11 LEU 8 1HD1 LEU 8 8.222 -3.719 1.379 64 HD12 LEU 8 2HD1 LEU 8 8.060 -3.311 -0.317 65 HD13 LEU 8 3HD1 LEU 8 8.708 -4.908 0.152 66 HD21 LEU 8 3HD2 LEU 8 11.967 -3.469 1.354 67 HD22 LEU 8 1HD2 LEU 8 10.604 -3.228 2.453 68 HD23 LEU 8 2HD2 LEU 8 10.830 -4.798 1.675 69 H SER 9 H SER 9 12.074 -6.741 -2.727 70 HA SER 9 HA SER 9 9.590 -6.756 -4.349 71 HG SER 9 HG SER 9 11.409 -7.538 -7.131 72 HB2 SER 9 1HB SER 9 11.846 -6.351 -5.386 73 HB3 SER 9 2HB SER 9 12.264 -8.027 -5.004 74 H ASN 10 H ASN 10 11.953 -9.212 -3.334 75 HA ASN 10 HA ASN 10 10.242 -11.405 -3.182 76 HB2 ASN 10 1HB ASN 10 12.539 -10.976 -1.241 77 HB3 ASN 10 2HB ASN 10 11.930 -12.492 -1.874 78 HD21 ASN 10 2HD2 ASN 10 13.879 -9.624 -2.474 79 HD22 ASN 10 1HD2 ASN 10 14.795 -10.279 -3.796 80 H ASN 11 H ASN 11 11.177 -9.170 -0.559 81 HA ASN 11 HA ASN 11 9.799 -10.393 1.541 82 HB2 ASN 11 1HB ASN 11 10.282 -7.398 1.222 83 HB3 ASN 11 2HB ASN 11 9.948 -8.265 2.713 84 HD21 ASN 11 2HD2 ASN 11 12.472 -7.158 0.632 85 HD22 ASN 11 1HD2 ASN 11 13.721 -8.192 1.279 86 H PHE 12 H PHE 12 8.677 -7.931 -0.780 87 HA PHE 12 HA PHE 12 6.281 -7.239 0.515 88 HD1 PHE 12 HD1 PHE 12 4.040 -6.626 -0.617 89 HD2 PHE 12 HD2 PHE 12 7.161 -4.111 -2.217 90 HE1 PHE 12 HE1 PHE 12 2.748 -4.592 -0.005 91 HE2 PHE 12 HE2 PHE 12 5.931 -2.124 -1.496 92 HZ PHE 12 HZ PHE 12 3.807 -2.297 -0.340 93 HB2 PHE 12 1HB PHE 12 7.672 -6.233 -1.467 94 HB3 PHE 12 2HB PHE 12 6.591 -7.143 -2.514 95 H GLY 13 H GLY 13 6.987 -9.474 -2.227 96 HA2 GLY 13 1HA GLY 13 4.408 -10.654 -2.457 97 HA3 GLY 13 2HA GLY 13 5.938 -11.387 -2.962 98 H LYS 14 H LYS 14 7.194 -11.429 -0.287 99 HA LYS 14 HA LYS 14 6.295 -13.861 0.782 100 HB2 LYS 14 1HB LYS 14 8.343 -12.043 1.335 101 HB3 LYS 14 2HB LYS 14 7.393 -11.946 2.779 102 HG2 LYS 14 1HG LYS 14 7.494 -14.436 2.993 103 HG3 LYS 14 2HG LYS 14 8.584 -14.458 1.589 104 HD2 LYS 14 1HD LYS 14 10.159 -12.938 2.794 105 HD3 LYS 14 2HD LYS 14 9.000 -12.825 4.125 106 HE2 LYS 14 1HE LYS 14 9.340 -15.544 3.971 107 HE3 LYS 14 2HE LYS 14 10.953 -14.970 3.472 108 HZ1 LYS 14 3HZ LYS 14 9.442 -14.273 5.899 109 HZ2 LYS 14 1HZ LYS 14 10.788 -15.182 5.891 110 HZ3 LYS 14 2HZ LYS 14 10.867 -13.551 5.516 111 H ALA 15 H ALA 15 5.702 -10.512 2.008 112 HA ALA 15 HA ALA 15 4.105 -11.496 4.098 113 HB1 ALA 15 1HB ALA 15 4.178 -8.729 2.822 114 HB2 ALA 15 2HB ALA 15 3.472 -9.100 4.421 115 HB3 ALA 15 3HB ALA 15 5.208 -9.330 4.125 116 H MET 16 H MET 16 3.254 -10.604 0.774 117 HA MET 16 HA MET 16 0.420 -10.711 1.014 118 HB2 MET 16 1HB MET 16 1.964 -9.965 -1.001 119 HB3 MET 16 2HB MET 16 1.926 -11.674 -1.449 120 HG2 MET 16 1HG MET 16 -0.465 -9.867 -0.994 121 HG3 MET 16 2HG MET 16 0.166 -10.347 -2.571 122 HE1 MET 16 3HE MET 16 -2.803 -10.545 -0.991 123 HE2 MET 16 1HE MET 16 -2.682 -10.824 -2.743 124 HE3 MET 16 2HE MET 16 -3.485 -12.036 -1.650 125 H ASP 17 H ASP 17 2.916 -13.205 0.308 126 HA ASP 17 HA ASP 17 1.212 -15.470 0.110 127 HB2 ASP 17 1HB ASP 17 3.773 -15.102 -0.427 128 HB3 ASP 17 2HB ASP 17 4.036 -15.503 1.263 129 H GLN 18 H GLN 18 2.765 -14.047 3.011 130 HA GLN 18 HA GLN 18 1.778 -15.894 4.883 131 HB2 GLN 18 1HB GLN 18 2.004 -12.908 5.270 132 HB3 GLN 18 2HB GLN 18 1.958 -14.091 6.537 133 HG2 GLN 18 1HG GLN 18 4.211 -13.825 4.524 134 HG3 GLN 18 2HG GLN 18 4.112 -13.131 6.123 135 HE21 GLN 18 2HE2 GLN 18 5.274 -15.888 4.362 136 HE22 GLN 18 1HE2 GLN 18 5.751 -16.723 5.815 137 H CYS 19 H CYS 19 0.121 -13.146 3.302 138 HA CYS 19 HA CYS 19 -2.216 -13.192 5.036 139 HB2 CYS 19 1HB CYS 19 -1.451 -11.642 2.539 140 HB3 CYS 19 2HB CYS 19 -2.992 -11.454 3.353 141 H LYS 20 H LYS 20 -1.479 -14.084 1.598 142 HA LYS 20 HA LYS 20 -3.934 -15.341 0.960 143 HB2 LYS 20 1HB LYS 20 -1.914 -14.769 -0.537 144 HB3 LYS 20 2HB LYS 20 -1.176 -16.254 0.034 145 HG2 LYS 20 1HG LYS 20 -3.345 -17.442 -0.783 146 HG3 LYS 20 2HG LYS 20 -3.763 -15.866 -1.439 147 HD2 LYS 20 1HD LYS 20 -2.862 -17.049 -3.227 148 HD3 LYS 20 2HD LYS 20 -1.548 -15.965 -2.728 149 HE2 LYS 20 1HE LYS 20 -0.217 -17.726 -2.023 150 HE3 LYS 20 2HE LYS 20 -1.601 -18.648 -1.404 151 HZ1 LYS 20 3HZ LYS 20 -0.623 -19.697 -3.388 152 HZ2 LYS 20 1HZ LYS 20 -2.183 -19.273 -3.595 153 HZ3 LYS 20 2HZ LYS 20 -1.032 -18.363 -4.286 154 H ASP 21 H ASP 21 -1.730 -16.141 3.343 155 HA ASP 21 HA ASP 21 -2.450 -19.029 3.389 156 HB2 ASP 21 1HB ASP 21 0.057 -17.635 4.213 157 HB3 ASP 21 2HB ASP 21 -0.501 -18.842 5.336 158 H GLU 22 H GLU 22 -2.020 -16.434 5.827 159 HA GLU 22 HA GLU 22 -3.546 -17.909 7.811 160 HB2 GLU 22 1HB GLU 22 -2.844 -14.946 7.479 161 HB3 GLU 22 2HB GLU 22 -3.940 -15.523 8.752 162 HG2 GLU 22 1HG GLU 22 -2.187 -17.162 9.436 163 HG3 GLU 22 2HG GLU 22 -1.056 -16.344 8.367 164 H LEU 23 H LEU 23 -4.281 -15.622 5.221 165 HA LEU 23 HA LEU 23 -7.146 -15.623 6.125 166 HG LEU 23 HG LEU 23 -4.878 -13.185 6.069 167 HB2 LEU 23 1HB LEU 23 -5.976 -13.927 3.938 168 HB3 LEU 23 2HB LEU 23 -7.525 -13.792 4.724 169 HD11 LEU 23 1HD1 LEU 23 -7.173 -11.445 5.065 170 HD12 LEU 23 2HD1 LEU 23 -5.875 -10.878 6.111 171 HD13 LEU 23 3HD1 LEU 23 -5.493 -11.465 4.474 172 HD21 LEU 23 3HD2 LEU 23 -6.284 -12.345 7.948 173 HD22 LEU 23 1HD2 LEU 23 -7.733 -12.972 7.138 174 HD23 LEU 23 2HD2 LEU 23 -6.480 -14.084 7.724 175 H SER 24 H SER 24 -5.158 -17.159 3.743 176 HA SER 24 HA SER 24 -5.701 -18.612 2.125 177 HG SER 24 HG SER 24 -8.618 -20.603 2.441 178 HB2 SER 24 1HB SER 24 -7.242 -19.431 3.932 179 HB3 SER 24 2HB SER 24 -8.555 -18.534 3.157 180 H LEU 25 H LEU 25 -5.790 -15.700 1.488 181 HA LEU 25 HA LEU 25 -8.159 -15.014 0.146 182 HG LEU 25 HG LEU 25 -5.692 -12.878 1.671 183 HB2 LEU 25 1HB LEU 25 -5.309 -13.953 -0.290 184 HB3 LEU 25 2HB LEU 25 -6.734 -13.319 -1.028 185 HD11 LEU 25 1HD1 LEU 25 -6.843 -10.774 1.348 186 HD12 LEU 25 2HD1 LEU 25 -6.108 -11.238 -0.219 187 HD13 LEU 25 3HD1 LEU 25 -7.843 -11.427 0.046 188 HD21 LEU 25 3HD2 LEU 25 -7.760 -14.170 2.380 189 HD22 LEU 25 1HD2 LEU 25 -7.927 -12.448 2.730 190 HD23 LEU 25 2HD2 LEU 25 -8.753 -13.162 1.335 191 HA PRO 26 HA PRO 26 -7.889 -17.585 -3.314 192 HB2 PRO 26 1HB PRO 26 -9.682 -16.455 -5.087 193 HB3 PRO 26 2HB PRO 26 -10.162 -17.350 -3.622 194 HG2 PRO 26 1HG PRO 26 -9.860 -14.371 -4.000 195 HG3 PRO 26 2HG PRO 26 -11.222 -15.224 -3.217 196 HD2 PRO 26 1HD PRO 26 -9.203 -14.055 -1.790 197 HD3 PRO 26 2HD PRO 26 -9.943 -15.582 -1.258 198 H ASP 27 H ASP 27 -6.979 -17.761 -5.378 199 HA ASP 27 HA ASP 27 -4.897 -15.946 -5.965 200 HB2 ASP 27 1HB ASP 27 -5.019 -18.317 -6.629 201 HB3 ASP 27 2HB ASP 27 -6.155 -17.889 -7.903 202 H SER 28 H SER 28 -8.144 -15.813 -6.863 203 HA SER 28 HA SER 28 -8.211 -13.948 -9.051 204 HG SER 28 HG SER 28 -11.078 -13.536 -9.240 205 HB2 SER 28 1HB SER 28 -10.198 -15.225 -8.344 206 HB3 SER 28 2HB SER 28 -10.159 -14.411 -6.792 207 H VAL 29 H VAL 29 -8.533 -13.547 -5.470 208 HA VAL 29 HA VAL 29 -8.491 -10.672 -5.620 209 HB VAL 29 HB VAL 29 -8.372 -12.657 -3.329 210 HG11 VAL 29 1HG1 VAL 29 -8.844 -10.665 -1.867 211 HG12 VAL 29 2HG1 VAL 29 -7.209 -10.667 -2.537 212 HG13 VAL 29 3HG1 VAL 29 -8.450 -9.615 -3.244 213 HG21 VAL 29 3HG2 VAL 29 -10.552 -12.336 -4.671 214 HG22 VAL 29 1HG2 VAL 29 -10.657 -11.976 -2.944 215 HG23 VAL 29 2HG2 VAL 29 -10.545 -10.660 -4.127 216 H VAL 30 H VAL 30 -6.038 -13.218 -5.013 217 HA VAL 30 HA VAL 30 -3.946 -11.453 -4.232 218 HB VAL 30 HB VAL 30 -3.902 -14.138 -5.645 219 HG11 VAL 30 1HG1 VAL 30 -1.713 -13.172 -5.961 220 HG12 VAL 30 2HG1 VAL 30 -1.598 -12.741 -4.250 221 HG13 VAL 30 3HG1 VAL 30 -1.608 -14.446 -4.746 222 HG21 VAL 30 3HG2 VAL 30 -4.095 -15.199 -3.659 223 HG22 VAL 30 1HG2 VAL 30 -3.148 -14.006 -2.757 224 HG23 VAL 30 2HG2 VAL 30 -4.861 -13.723 -3.105 225 H ALA 31 H ALA 31 -4.785 -12.815 -7.462 226 HA ALA 31 HA ALA 31 -2.736 -11.372 -8.862 227 HB1 ALA 31 1HB ALA 31 -5.356 -12.644 -9.782 228 HB2 ALA 31 2HB ALA 31 -4.065 -12.116 -10.856 229 HB3 ALA 31 3HB ALA 31 -3.754 -13.429 -9.719 230 H ASP 32 H ASP 32 -6.165 -10.762 -8.147 231 HA ASP 32 HA ASP 32 -6.522 -8.322 -9.576 232 HB2 ASP 32 1HB ASP 32 -8.399 -9.536 -8.671 233 HB3 ASP 32 2HB ASP 32 -7.727 -9.415 -7.036 234 H LEU 33 H LEU 33 -5.212 -8.910 -6.299 235 HA LEU 33 HA LEU 33 -4.963 -6.199 -5.558 236 HG LEU 33 HG LEU 33 -4.853 -6.126 -3.514 237 HB2 LEU 33 1HB LEU 33 -3.930 -8.774 -4.560 238 HB3 LEU 33 2HB LEU 33 -2.703 -7.535 -4.513 239 HD11 LEU 33 1HD1 LEU 33 -5.143 -8.954 -2.512 240 HD12 LEU 33 2HD1 LEU 33 -5.933 -7.474 -1.892 241 HD13 LEU 33 3HD1 LEU 33 -6.283 -8.034 -3.535 242 HD21 LEU 33 3HD2 LEU 33 -2.811 -7.726 -1.975 243 HD22 LEU 33 1HD2 LEU 33 -2.603 -6.102 -2.697 244 HD23 LEU 33 2HD2 LEU 33 -3.761 -6.328 -1.381 245 H TYR 34 H TYR 34 -2.672 -8.351 -7.222 246 HA TYR 34 HA TYR 34 -0.605 -6.415 -7.532 247 HD1 TYR 34 HD2 TYR 34 1.934 -7.324 -8.476 248 HD2 TYR 34 HD1 TYR 34 -0.793 -10.282 -6.937 249 HE1 TYR 34 HE2 TYR 34 3.590 -7.962 -6.754 250 HE2 TYR 34 HE1 TYR 34 0.835 -10.942 -5.210 251 HH TYR 34 HH TYR 34 4.041 -9.266 -4.892 252 HB2 TYR 34 1HB TYR 34 -1.316 -8.969 -8.992 253 HB3 TYR 34 2HB TYR 34 -0.092 -7.885 -9.650 254 H ASN 35 H ASN 35 -3.449 -7.127 -9.581 255 HA ASN 35 HA ASN 35 -2.828 -5.384 -11.703 256 HB2 ASN 35 1HB ASN 35 -5.610 -5.977 -10.664 257 HB3 ASN 35 2HB ASN 35 -5.204 -5.266 -12.219 258 HD21 ASN 35 2HD2 ASN 35 -6.637 -7.839 -11.615 259 HD22 ASN 35 1HD2 ASN 35 -5.620 -9.144 -12.159 260 H PHE 36 H PHE 36 -4.045 -4.562 -8.445 261 HA PHE 36 HA PHE 36 -5.353 -2.164 -9.040 262 HD1 PHE 36 HD2 PHE 36 -7.396 -2.084 -7.487 263 HD2 PHE 36 HD1 PHE 36 -4.025 -0.987 -5.032 264 HE1 PHE 36 HE2 PHE 36 -8.740 -0.294 -6.402 265 HE2 PHE 36 HE1 PHE 36 -5.374 0.777 -3.966 266 HZ PHE 36 HZ PHE 36 -7.762 1.074 -4.588 267 HB2 PHE 36 1HB PHE 36 -5.213 -3.645 -6.917 268 HB3 PHE 36 2HB PHE 36 -3.772 -2.738 -6.530 269 H TRP 37 H TRP 37 -1.954 -2.611 -8.098 270 HA TRP 37 HA TRP 37 -1.416 0.234 -8.611 271 HD1 TRP 37 HD1 TRP 37 -0.101 -3.768 -6.779 272 HE1 TRP 37 HE1 TRP 37 -1.086 -4.381 -4.503 273 HE3 TRP 37 HE3 TRP 37 -1.365 0.921 -5.128 274 HZ2 TRP 37 HZ2 TRP 37 -2.530 -3.065 -2.381 275 HZ3 TRP 37 HZ3 TRP 37 -2.502 1.206 -2.936 276 HH2 TRP 37 HH2 TRP 37 -3.104 -0.775 -1.572 277 HB2 TRP 37 1HB TRP 37 0.821 -1.469 -7.736 278 HB3 TRP 37 2HB TRP 37 0.206 0.025 -7.068 279 H LYS 38 H LYS 38 -1.732 -2.194 -10.732 280 HA LYS 38 HA LYS 38 0.960 -2.534 -11.719 281 HB2 LYS 38 1HB LYS 38 -1.108 -4.092 -11.654 282 HB3 LYS 38 2HB LYS 38 -1.596 -3.340 -13.152 283 HG2 LYS 38 1HG LYS 38 0.184 -4.345 -14.345 284 HG3 LYS 38 2HG LYS 38 1.212 -4.443 -12.897 285 HD2 LYS 38 1HD LYS 38 -0.265 -6.138 -11.916 286 HD3 LYS 38 2HD LYS 38 -1.281 -6.140 -13.354 287 HE2 LYS 38 1HE LYS 38 1.691 -6.756 -13.437 288 HE3 LYS 38 2HE LYS 38 0.526 -7.975 -12.985 289 HZ1 LYS 38 3HZ LYS 38 -0.610 -7.465 -15.164 290 HZ2 LYS 38 1HZ LYS 38 0.724 -6.622 -15.601 291 HZ3 LYS 38 2HZ LYS 38 0.846 -8.226 -15.271 292 H ASP 39 H ASP 39 -1.915 -0.800 -12.899 293 HA ASP 39 HA ASP 39 -0.207 1.152 -14.151 294 HB2 ASP 39 1HB ASP 39 -0.589 -0.739 -15.941 295 HB3 ASP 39 2HB ASP 39 -2.210 -0.084 -16.080 296 H ASP 40 H ASP 40 -3.635 0.080 -14.619 297 HA ASP 40 HA ASP 40 -4.666 2.354 -13.039 298 HB2 ASP 40 1HB ASP 40 -4.186 3.449 -15.111 299 HB3 ASP 40 2HB ASP 40 -4.888 2.124 -16.058 300 H TYR 41 H TYR 41 -5.682 0.750 -11.739 301 HA TYR 41 HA TYR 41 -7.989 -0.588 -13.046 302 HD1 TYR 41 HD1 TYR 41 -8.354 -3.232 -13.556 303 HD2 TYR 41 HD2 TYR 41 -7.188 -2.864 -9.410 304 HE1 TYR 41 HE1 TYR 41 -10.061 -4.908 -12.894 305 HE2 TYR 41 HE2 TYR 41 -8.753 -4.527 -8.751 306 HH TYR 41 HH TYR 41 -10.181 -6.273 -9.664 307 HB2 TYR 41 1HB TYR 41 -6.120 -2.155 -12.808 308 HB3 TYR 41 2HB TYR 41 -5.931 -1.710 -11.117 309 H VAL 42 H VAL 42 -9.580 -1.338 -11.402 310 HA VAL 42 HA VAL 42 -9.689 -0.112 -8.789 311 HB VAL 42 HB VAL 42 -11.467 0.686 -11.068 312 HG11 VAL 42 1HG1 VAL 42 -13.375 1.224 -9.571 313 HG12 VAL 42 2HG1 VAL 42 -13.167 -0.490 -9.898 314 HG13 VAL 42 3HG1 VAL 42 -12.647 0.168 -8.343 315 HG21 VAL 42 3HG2 VAL 42 -11.629 2.784 -9.765 316 HG22 VAL 42 1HG2 VAL 42 -10.634 2.061 -8.493 317 HG23 VAL 42 2HG2 VAL 42 -9.962 2.329 -10.117 318 H MET 43 H MET 43 -10.485 -1.668 -7.498 319 HA MET 43 HA MET 43 -11.529 -4.220 -8.585 320 HB2 MET 43 1HB MET 43 -11.401 -4.677 -5.945 321 HB3 MET 43 2HB MET 43 -10.006 -4.889 -6.969 322 HG2 MET 43 1HG MET 43 -8.862 -3.186 -6.078 323 HG3 MET 43 2HG MET 43 -10.248 -2.138 -5.861 324 HE1 MET 43 3HE MET 43 -7.522 -3.187 -4.146 325 HE2 MET 43 1HE MET 43 -8.319 -1.677 -3.651 326 HE3 MET 43 2HE MET 43 -8.062 -2.958 -2.454 327 H THR 44 H THR 44 -13.564 -4.986 -7.862 328 HA THR 44 HA THR 44 -15.258 -3.089 -6.319 329 HB THR 44 HB THR 44 -17.122 -4.079 -7.665 330 HG1 THR 44 1HG THR 44 -16.743 -5.570 -9.004 331 HG21 THR 44 3HG2 THR 44 -16.755 -2.758 -9.664 332 HG22 THR 44 1HG2 THR 44 -16.114 -1.875 -8.272 333 HG23 THR 44 2HG2 THR 44 -15.002 -2.707 -9.379 334 H ASP 45 H ASP 45 -13.589 -5.843 -5.868 335 HA ASP 45 HA ASP 45 -15.622 -7.347 -4.331 336 HB2 ASP 45 1HB ASP 45 -13.355 -8.270 -5.531 337 HB3 ASP 45 2HB ASP 45 -12.681 -7.841 -3.973 338 H ARG 46 H ARG 46 -14.564 -7.883 -1.993 339 HA ARG 46 HA ARG 46 -13.847 -5.354 -0.693 340 HE ARG 46 HE ARG 46 -16.034 -10.545 0.030 341 HB2 ARG 46 1HB ARG 46 -15.165 -5.914 1.158 342 HB3 ARG 46 2HB ARG 46 -16.193 -5.940 -0.247 343 HG2 ARG 46 1HG ARG 46 -14.997 -8.492 0.946 344 HG3 ARG 46 2HG ARG 46 -16.479 -7.779 1.544 345 HD2 ARG 46 1HD ARG 46 -17.599 -8.044 -0.542 346 HD3 ARG 46 2HD ARG 46 -16.140 -8.541 -1.373 347 HH11 ARG 46 2HH2 ARG 46 -19.159 -8.954 -0.425 348 HH12 ARG 46 1HH2 ARG 46 -20.109 -10.232 0.212 349 HH21 ARG 46 2HH1 ARG 46 -17.244 -12.334 0.777 350 HH22 ARG 46 1HH1 ARG 46 -18.993 -12.206 0.878 351 H LEU 47 H LEU 47 -13.146 -8.773 -1.128 352 HA LEU 47 HA LEU 47 -11.512 -9.132 1.271 353 HG LEU 47 HG LEU 47 -13.425 -11.113 0.482 354 HB2 LEU 47 1HB LEU 47 -11.815 -10.548 -1.410 355 HB3 LEU 47 2HB LEU 47 -10.498 -10.974 -0.325 356 HD11 LEU 47 1HD1 LEU 47 -13.117 -13.561 0.214 357 HD12 LEU 47 2HD1 LEU 47 -12.881 -12.720 -1.323 358 HD13 LEU 47 3HD1 LEU 47 -11.474 -13.297 -0.397 359 HD21 LEU 47 3HD2 LEU 47 -11.907 -10.865 2.432 360 HD22 LEU 47 1HD2 LEU 47 -12.493 -12.519 2.340 361 HD23 LEU 47 2HD2 LEU 47 -10.851 -12.140 1.785 362 H ALA 48 H ALA 48 -10.790 -7.671 -1.948 363 HA ALA 48 HA ALA 48 -7.992 -7.921 -1.665 364 HB1 ALA 48 1HB ALA 48 -8.838 -7.287 -3.772 365 HB2 ALA 48 2HB ALA 48 -9.778 -5.959 -3.092 366 HB3 ALA 48 3HB ALA 48 -7.995 -5.847 -3.179 367 H GLY 49 H GLY 49 -10.209 -5.426 -0.352 368 HA2 GLY 49 1HA GLY 49 -8.202 -3.818 0.866 369 HA3 GLY 49 2HA GLY 49 -9.883 -3.912 1.402 370 H CYS 50 H CYS 50 -9.591 -6.920 1.815 371 HA CYS 50 HA CYS 50 -8.691 -6.813 4.567 372 HB2 CYS 50 1HB CYS 50 -9.602 -9.165 2.840 373 HB3 CYS 50 2HB CYS 50 -9.327 -9.230 4.532 374 H ALA 51 H ALA 51 -7.440 -8.314 1.536 375 HA ALA 51 HA ALA 51 -5.027 -9.286 2.550 376 HB1 ALA 51 1HB ALA 51 -4.706 -9.723 0.367 377 HB2 ALA 51 2HB ALA 51 -6.185 -8.838 -0.014 378 HB3 ALA 51 3HB ALA 51 -4.621 -8.001 -0.019 379 H ILE 52 H ILE 52 -5.797 -5.930 1.452 380 HA ILE 52 HA ILE 52 -3.206 -4.847 1.903 381 HB ILE 52 HB ILE 52 -5.965 -3.543 1.875 382 HG12 ILE 52 1HG1 ILE 52 -3.741 -3.562 -0.225 383 HG13 ILE 52 2HG1 ILE 52 -5.115 -4.654 -0.254 384 HG21 ILE 52 1HG2 ILE 52 -4.410 -2.095 3.147 385 HG22 ILE 52 2HG2 ILE 52 -3.223 -2.217 1.831 386 HG23 ILE 52 3HG2 ILE 52 -4.777 -1.381 1.594 387 HD11 ILE 52 3HD1 ILE 52 -5.238 -1.635 -0.566 388 HD12 ILE 52 1HD1 ILE 52 -5.576 -2.873 -1.775 389 HD13 ILE 52 2HD1 ILE 52 -6.663 -2.683 -0.388 390 H ASN 53 H ASN 53 -6.095 -4.698 4.185 391 HA ASN 53 HA ASN 53 -4.474 -3.494 6.162 392 HB2 ASN 53 1HB ASN 53 -6.215 -3.708 7.705 393 HB3 ASN 53 2HB ASN 53 -6.980 -3.503 6.136 394 HD21 ASN 53 2HD2 ASN 53 -8.788 -4.513 6.264 395 HD22 ASN 53 1HD2 ASN 53 -9.109 -6.149 6.762 396 H CYS 54 H CYS 54 -4.680 -6.876 5.343 397 HA CYS 54 HA CYS 54 -3.316 -7.885 7.658 398 HB2 CYS 54 1HB CYS 54 -4.577 -9.276 6.219 399 HB3 CYS 54 2HB CYS 54 -3.617 -8.878 4.803 400 H LEU 55 H LEU 55 -2.099 -6.641 4.468 401 HA LEU 55 HA LEU 55 0.679 -7.026 5.055 402 HG LEU 55 HG LEU 55 0.970 -5.836 1.573 403 HB2 LEU 55 1HB LEU 55 -0.832 -5.139 3.213 404 HB3 LEU 55 2HB LEU 55 0.822 -4.805 3.583 405 HD11 LEU 55 1HD1 LEU 55 2.494 -6.892 3.301 406 HD12 LEU 55 2HD1 LEU 55 1.353 -8.266 3.355 407 HD13 LEU 55 3HD1 LEU 55 2.183 -7.855 1.841 408 HD21 LEU 55 3HD2 LEU 55 -1.312 -6.679 1.409 409 HD22 LEU 55 1HD2 LEU 55 -0.133 -7.918 0.932 410 HD23 LEU 55 2HD2 LEU 55 -0.898 -7.989 2.556 411 H ALA 56 H ALA 56 -1.613 -4.573 6.080 412 HA ALA 56 HA ALA 56 0.260 -2.542 6.734 413 HB1 ALA 56 1HB ALA 56 -2.201 -2.206 6.281 414 HB2 ALA 56 2HB ALA 56 -2.519 -2.838 7.920 415 HB3 ALA 56 3HB ALA 56 -1.568 -1.363 7.705 416 H THR 57 H THR 57 -0.641 -5.388 8.525 417 HA THR 57 HA THR 57 0.872 -4.309 10.845 418 HB THR 57 HB THR 57 -1.364 -4.969 11.418 419 HG1 THR 57 1HG THR 57 0.513 -5.333 12.803 420 HG21 THR 57 3HG2 THR 57 -0.516 -7.669 10.332 421 HG22 THR 57 1HG2 THR 57 -1.891 -7.434 11.430 422 HG23 THR 57 2HG2 THR 57 -1.894 -6.671 9.823 423 H LYS 58 H LYS 58 1.261 -6.305 7.997 424 HA LYS 58 HA LYS 58 3.421 -7.862 9.290 425 HB2 LYS 58 1HB LYS 58 1.943 -8.068 6.628 426 HB3 LYS 58 2HB LYS 58 3.462 -8.914 6.966 427 HG2 LYS 58 1HG LYS 58 2.467 -9.813 9.057 428 HG3 LYS 58 2HG LYS 58 0.880 -9.195 8.512 429 HD2 LYS 58 1HD LYS 58 1.538 -10.497 6.254 430 HD3 LYS 58 2HD LYS 58 2.546 -11.442 7.355 431 HE2 LYS 58 1HE LYS 58 -0.470 -11.017 7.463 432 HE3 LYS 58 2HE LYS 58 0.357 -12.508 7.005 433 HZ1 LYS 58 3HZ LYS 58 -0.400 -12.715 9.211 434 HZ2 LYS 58 1HZ LYS 58 1.195 -12.573 9.343 435 HZ3 LYS 58 2HZ LYS 58 0.213 -11.278 9.686 436 H LEU 59 H LEU 59 3.613 -5.064 9.296 437 HA LEU 59 HA LEU 59 5.114 -4.128 7.058 438 HG LEU 59 HG LEU 59 3.123 -3.065 9.459 439 HB2 LEU 59 1HB LEU 59 5.538 -3.158 9.870 440 HB3 LEU 59 2HB LEU 59 5.872 -2.310 8.342 441 HD11 LEU 59 1HD1 LEU 59 4.048 -1.307 10.762 442 HD12 LEU 59 2HD1 LEU 59 4.578 -0.423 9.308 443 HD13 LEU 59 3HD1 LEU 59 2.857 -0.592 9.644 444 HD21 LEU 59 3HD2 LEU 59 3.936 -2.224 6.747 445 HD22 LEU 59 1HD2 LEU 59 2.426 -2.895 7.326 446 HD23 LEU 59 2HD2 LEU 59 2.729 -1.151 7.472 447 H ASP 60 H ASP 60 5.842 -6.166 9.846 448 HA ASP 60 HA ASP 60 8.760 -5.949 9.577 449 HB2 ASP 60 1HB ASP 60 8.244 -6.211 11.780 450 HB3 ASP 60 2HB ASP 60 6.769 -7.111 11.455 451 H VAL 61 H VAL 61 6.430 -7.562 7.814 452 HA VAL 61 HA VAL 61 8.357 -9.698 7.040 453 HB VAL 61 HB VAL 61 5.412 -9.693 6.395 454 HG11 VAL 61 1HG1 VAL 61 6.876 -11.079 4.966 455 HG12 VAL 61 2HG1 VAL 61 7.634 -11.800 6.397 456 HG13 VAL 61 3HG1 VAL 61 5.957 -12.156 6.016 457 HG21 VAL 61 3HG2 VAL 61 5.142 -11.443 8.180 458 HG22 VAL 61 1HG2 VAL 61 6.752 -11.008 8.788 459 HG23 VAL 61 2HG2 VAL 61 5.436 -9.819 8.813 460 H VAL 62 H VAL 62 5.930 -7.288 5.773 461 HA VAL 62 HA VAL 62 6.745 -7.569 3.078 462 HB VAL 62 HB VAL 62 4.661 -6.479 4.209 463 HG11 VAL 62 1HG1 VAL 62 4.603 -4.142 4.504 464 HG12 VAL 62 2HG1 VAL 62 6.032 -4.730 5.382 465 HG13 VAL 62 3HG1 VAL 62 6.233 -3.938 3.809 466 HG21 VAL 62 3HG2 VAL 62 5.933 -5.245 1.756 467 HG22 VAL 62 1HG2 VAL 62 4.774 -6.617 1.827 468 HG23 VAL 62 2HG2 VAL 62 4.251 -4.987 2.258 469 H ASP 63 H ASP 63 7.981 -5.556 5.753 470 HA ASP 63 HA ASP 63 10.376 -4.817 4.186 471 HB2 ASP 63 1HB ASP 63 8.964 -2.897 4.048 472 HB3 ASP 63 2HB ASP 63 8.544 -2.986 5.751 473 HA PRO 64 HA PRO 64 11.305 -6.595 8.328 474 HB2 PRO 64 1HB PRO 64 13.121 -8.460 7.650 475 HB3 PRO 64 2HB PRO 64 11.374 -8.691 7.340 476 HG2 PRO 64 1HG PRO 64 13.467 -7.777 5.378 477 HG3 PRO 64 2HG PRO 64 12.203 -9.047 5.184 478 HD2 PRO 64 1HD PRO 64 11.980 -6.397 4.337 479 HD3 PRO 64 2HD PRO 64 10.601 -7.459 4.684 480 H ASP 65 H ASP 65 12.853 -4.701 5.987 481 HA ASP 65 HA ASP 65 15.463 -4.370 7.248 482 HB2 ASP 65 1HB ASP 65 14.637 -3.729 4.811 483 HB3 ASP 65 2HB ASP 65 14.024 -2.294 5.611 484 H GLY 66 H GLY 66 12.102 -3.222 7.601 485 HA2 GLY 66 1HA GLY 66 11.197 -2.970 9.687 486 HA3 GLY 66 2HA GLY 66 12.779 -2.548 10.362 487 H ASN 67 H ASN 67 11.819 -0.931 7.410 488 HA ASN 67 HA ASN 67 12.233 1.548 8.797 489 HB2 ASN 67 1HB ASN 67 11.416 1.142 5.921 490 HB3 ASN 67 2HB ASN 67 11.812 2.680 6.699 491 HD21 ASN 67 2HD2 ASN 67 13.101 -0.432 5.664 492 HD22 ASN 67 1HD2 ASN 67 14.774 -0.025 5.987 493 H LEU 68 H LEU 68 9.537 -0.249 7.273 494 HA LEU 68 HA LEU 68 7.564 1.839 7.482 495 HG LEU 68 HG LEU 68 5.040 -0.399 7.186 496 HB2 LEU 68 1HB LEU 68 7.689 -0.156 5.894 497 HB3 LEU 68 2HB LEU 68 7.228 -1.168 7.182 498 HD11 LEU 68 1HD1 LEU 68 4.051 1.456 6.059 499 HD12 LEU 68 2HD1 LEU 68 5.193 2.007 7.272 500 HD13 LEU 68 3HD1 LEU 68 5.654 2.054 5.544 501 HD21 LEU 68 3HD2 LEU 68 5.890 -0.095 4.272 502 HD22 LEU 68 1HD2 LEU 68 5.645 -1.651 5.101 503 HD23 LEU 68 2HD2 LEU 68 4.280 -0.540 4.850 504 H HIS 69 H HIS 69 6.268 2.405 9.190 505 HA HIS 69 HA HIS 69 5.604 0.415 11.255 506 HD1 HIS 69 HD1 HIS 69 8.129 0.172 13.710 507 HD2 HIS 69 HD2 HIS 69 8.762 3.359 10.993 508 HE1 HIS 69 HE1 HIS 69 10.640 0.211 13.139 509 HE2 HIS 69 HE2 HIS 69 11.006 2.215 11.556 510 HB2 HIS 69 1HB HIS 69 6.343 3.188 12.222 511 HB3 HIS 69 2HB HIS 69 5.937 1.803 13.136 512 H HIS 70 H HIS 70 3.781 1.395 12.687 513 HA HIS 70 HA HIS 70 1.633 2.224 11.000 514 HD1 HIS 70 HD1 HIS 70 0.862 0.172 15.312 515 HD2 HIS 70 HD2 HIS 70 1.499 -0.124 11.153 516 HE1 HIS 70 HE1 HIS 70 0.853 -2.336 14.736 517 HE2 HIS 70 HE2 HIS 70 1.244 -2.534 12.249 518 HB2 HIS 70 1HB HIS 70 1.935 2.345 14.023 519 HB3 HIS 70 2HB HIS 70 0.405 2.477 13.169 520 H GLY 71 H GLY 71 0.816 4.154 10.546 521 HA2 GLY 71 1HA GLY 71 0.741 6.339 10.120 522 HA3 GLY 71 2HA GLY 71 1.343 6.639 11.763 523 H ASN 72 H ASN 72 3.341 4.693 9.547 524 HA ASN 72 HA ASN 72 5.182 6.972 9.240 525 HB2 ASN 72 1HB ASN 72 5.303 5.790 11.562 526 HB3 ASN 72 2HB ASN 72 5.924 4.443 10.678 527 HD21 ASN 72 2HD2 ASN 72 7.507 5.373 12.397 528 HD22 ASN 72 1HD2 ASN 72 8.894 6.257 11.843 529 H ALA 73 H ALA 73 4.822 6.498 6.916 530 HA ALA 73 HA ALA 73 6.756 4.388 6.090 531 HB1 ALA 73 1HB ALA 73 4.969 6.114 4.394 532 HB2 ALA 73 2HB ALA 73 6.018 4.797 3.853 533 HB3 ALA 73 3HB ALA 73 4.606 4.446 4.870 534 H LYS 74 H LYS 74 7.494 7.017 7.721 535 HA LYS 74 HA LYS 74 8.382 8.797 5.625 536 HB2 LYS 74 1HB LYS 74 8.067 9.087 8.396 537 HB3 LYS 74 2HB LYS 74 9.799 9.124 8.199 538 HG2 LYS 74 1HG LYS 74 9.652 11.280 7.625 539 HG3 LYS 74 2HG LYS 74 8.843 10.815 6.134 540 HD2 LYS 74 1HD LYS 74 6.650 10.812 7.533 541 HD3 LYS 74 2HD LYS 74 7.621 11.607 8.792 542 HE2 LYS 74 1HE LYS 74 8.267 13.258 6.841 543 HE3 LYS 74 2HE LYS 74 6.839 12.576 6.037 544 HZ1 LYS 74 3HZ LYS 74 6.255 14.575 7.279 545 HZ2 LYS 74 1HZ LYS 74 5.545 13.322 8.031 546 HZ3 LYS 74 2HZ LYS 74 6.906 13.990 8.649 547 H ASP 75 H ASP 75 10.309 6.718 7.904 548 HA ASP 75 HA ASP 75 12.783 7.027 6.492 549 HB2 ASP 75 1HB ASP 75 11.692 5.069 8.491 550 HB3 ASP 75 2HB ASP 75 13.084 4.567 7.555 551 H PHE 76 H PHE 76 10.032 4.791 6.113 552 HA PHE 76 HA PHE 76 11.265 2.953 4.311 553 HD1 PHE 76 HD2 PHE 76 9.931 0.474 4.345 554 HD2 PHE 76 HD1 PHE 76 7.563 3.306 2.060 555 HE1 PHE 76 HE2 PHE 76 9.475 -1.234 2.642 556 HE2 PHE 76 HE1 PHE 76 7.219 1.644 0.373 557 HZ PHE 76 HZ PHE 76 8.108 -0.672 0.630 558 HB2 PHE 76 1HB PHE 76 9.037 2.581 5.419 559 HB3 PHE 76 2HB PHE 76 8.336 3.832 4.409 560 H ALA 77 H ALA 77 9.222 5.824 3.649 561 HA ALA 77 HA ALA 77 9.528 5.754 0.866 562 HB1 ALA 77 1HB ALA 77 8.566 8.034 0.962 563 HB2 ALA 77 2HB ALA 77 7.751 6.994 2.110 564 HB3 ALA 77 3HB ALA 77 8.974 8.150 2.687 565 H MET 78 H MET 78 11.481 7.363 3.401 566 HA MET 78 HA MET 78 13.155 8.850 1.682 567 HB2 MET 78 1HB MET 78 13.956 7.602 4.326 568 HB3 MET 78 2HB MET 78 14.764 8.935 3.510 569 HG2 MET 78 1HG MET 78 11.906 9.475 3.874 570 HG3 MET 78 2HG MET 78 12.695 9.063 5.394 571 HE1 MET 78 3HE MET 78 11.050 11.689 4.748 572 HE2 MET 78 1HE MET 78 11.703 11.032 6.270 573 HE3 MET 78 2HE MET 78 12.061 12.699 5.808 574 H LYS 79 H LYS 79 13.518 5.520 2.915 575 HA LYS 79 HA LYS 79 15.999 4.989 1.505 576 HB2 LYS 79 1HB LYS 79 13.951 3.424 3.101 577 HB3 LYS 79 2HB LYS 79 15.039 2.532 2.061 578 HG2 LYS 79 1HG LYS 79 16.042 4.499 4.144 579 HG3 LYS 79 2HG LYS 79 15.795 2.771 4.435 580 HD2 LYS 79 1HD LYS 79 17.275 2.491 2.235 581 HD3 LYS 79 2HD LYS 79 17.830 4.122 2.660 582 HE2 LYS 79 1HE LYS 79 18.602 3.345 4.831 583 HE3 LYS 79 2HE LYS 79 17.843 1.761 4.583 584 HZ1 LYS 79 3HZ LYS 79 20.010 2.790 2.858 585 HZ2 LYS 79 1HZ LYS 79 20.265 1.858 4.177 586 HZ3 LYS 79 2HZ LYS 79 19.404 1.231 2.938 587 H HIS 80 H HIS 80 12.772 5.214 0.327 588 HA HIS 80 HA HIS 80 13.305 3.144 -1.758 589 HD1 HIS 80 HD1 HIS 80 11.069 1.415 -2.995 590 HD2 HIS 80 HD2 HIS 80 11.527 1.977 1.165 591 HE1 HIS 80 HE1 HIS 80 11.133 -0.900 -1.976 592 HE2 HIS 80 HE2 HIS 80 11.490 -0.529 0.621 593 HB2 HIS 80 1HB HIS 80 10.830 4.218 -0.441 594 HB3 HIS 80 2HB HIS 80 10.726 3.885 -2.164 595 H GLY 81 H GLY 81 12.183 6.515 -1.360 596 HA2 GLY 81 1HA GLY 81 13.683 7.792 -3.193 597 HA3 GLY 81 2HA GLY 81 12.422 7.046 -4.198 598 H ALA 82 H ALA 82 12.573 8.654 -0.990 599 HA ALA 82 HA ALA 82 10.959 10.876 -2.024 600 HB1 ALA 82 1HB ALA 82 9.316 9.256 -0.997 601 HB2 ALA 82 2HB ALA 82 10.255 9.371 0.522 602 HB3 ALA 82 3HB ALA 82 9.406 10.777 -0.092 603 H ASP 83 H ASP 83 10.890 12.617 -0.224 604 HA ASP 83 HA ASP 83 13.045 12.340 1.779 605 HB2 ASP 83 1HB ASP 83 12.707 14.982 0.371 606 HB3 ASP 83 2HB ASP 83 14.013 14.422 1.414 607 H GLU 84 H GLU 84 12.510 14.612 3.274 608 HA GLU 84 HA GLU 84 10.076 14.001 4.640 609 HB2 GLU 84 1HB GLU 84 11.756 16.548 4.504 610 HB3 GLU 84 2HB GLU 84 10.242 16.472 5.416 611 HG2 GLU 84 1HG GLU 84 11.125 14.455 6.625 612 HG3 GLU 84 2HG GLU 84 12.704 14.784 5.902 613 H THR 85 H THR 85 10.539 16.129 1.970 614 HA THR 85 HA THR 85 8.016 17.428 1.991 615 HB THR 85 HB THR 85 9.974 16.828 -0.283 616 HG1 THR 85 1HG THR 85 9.884 18.767 1.755 617 HG21 THR 85 3HG2 THR 85 7.775 17.738 -0.999 618 HG22 THR 85 1HG2 THR 85 8.029 19.131 0.078 619 HG23 THR 85 2HG2 THR 85 9.117 18.863 -1.310 620 H MET 86 H MET 86 9.229 14.875 -0.236 621 HA MET 86 HA MET 86 6.705 14.242 -1.353 622 HB2 MET 86 1HB MET 86 9.319 12.762 -1.057 623 HB3 MET 86 2HB MET 86 7.960 12.038 -1.926 624 HG2 MET 86 1HG MET 86 8.033 13.665 -3.609 625 HG3 MET 86 2HG MET 86 8.902 14.822 -2.609 626 HE1 MET 86 3HE MET 86 9.408 11.837 -5.246 627 HE2 MET 86 1HE MET 86 10.946 11.196 -4.659 628 HE3 MET 86 2HE MET 86 9.487 11.032 -3.659 629 H ALA 87 H ALA 87 8.471 12.676 1.381 630 HA ALA 87 HA ALA 87 6.617 10.583 1.840 631 HB1 ALA 87 1HB ALA 87 8.440 12.072 3.797 632 HB2 ALA 87 2HB ALA 87 7.668 10.486 4.065 633 HB3 ALA 87 3HB ALA 87 8.905 10.679 2.803 634 H GLN 88 H GLN 88 6.709 14.040 3.070 635 HA GLN 88 HA GLN 88 4.365 13.524 4.733 636 HB2 GLN 88 1HB GLN 88 6.070 15.085 5.390 637 HB3 GLN 88 2HB GLN 88 5.997 15.963 3.878 638 HG2 GLN 88 1HG GLN 88 4.927 17.208 5.671 639 HG3 GLN 88 2HG GLN 88 3.739 16.759 4.435 640 HE21 GLN 88 2HE2 GLN 88 1.859 16.064 5.295 641 HE22 GLN 88 1HE2 GLN 88 1.662 15.207 6.817 642 H GLN 89 H GLN 89 4.914 14.631 1.374 643 HA GLN 89 HA GLN 89 2.258 15.608 0.895 644 HB2 GLN 89 1HB GLN 89 4.196 14.295 -1.040 645 HB3 GLN 89 2HB GLN 89 2.658 15.017 -1.462 646 HG2 GLN 89 1HG GLN 89 3.908 17.010 0.120 647 HG3 GLN 89 2HG GLN 89 5.209 16.285 -0.840 648 HE21 GLN 89 2HE2 GLN 89 5.021 16.253 -3.175 649 HE22 GLN 89 1HE2 GLN 89 3.968 17.430 -3.938 650 H LEU 90 H LEU 90 3.685 12.273 0.383 651 HA LEU 90 HA LEU 90 1.265 11.149 -0.456 652 HG LEU 90 HG LEU 90 4.629 10.774 -0.991 653 HB2 LEU 90 1HB LEU 90 3.597 9.754 0.920 654 HB3 LEU 90 2HB LEU 90 2.355 9.025 -0.082 655 HD11 LEU 90 1HD1 LEU 90 3.726 8.007 -1.818 656 HD12 LEU 90 2HD1 LEU 90 5.188 8.870 -2.344 657 HD13 LEU 90 3HD1 LEU 90 5.028 8.379 -0.655 658 HD21 LEU 90 3HD2 LEU 90 2.812 11.672 -2.247 659 HD22 LEU 90 1HD2 LEU 90 3.695 10.573 -3.303 660 HD23 LEU 90 2HD2 LEU 90 2.158 10.042 -2.582 661 H VAL 91 H VAL 91 2.642 11.404 2.897 662 HA VAL 91 HA VAL 91 0.550 9.897 4.023 663 HB VAL 91 HB VAL 91 2.843 10.957 5.013 664 HG11 VAL 91 1HG1 VAL 91 2.409 12.413 6.880 665 HG12 VAL 91 2HG1 VAL 91 1.920 13.200 5.376 666 HG13 VAL 91 3HG1 VAL 91 0.686 12.517 6.453 667 HG21 VAL 91 3HG2 VAL 91 2.059 10.060 7.189 668 HG22 VAL 91 1HG2 VAL 91 0.405 9.978 6.543 669 HG23 VAL 91 2HG2 VAL 91 1.687 8.981 5.841 670 H ASP 92 H ASP 92 0.700 13.334 3.140 671 HA ASP 92 HA ASP 92 -1.793 14.088 4.394 672 HB2 ASP 92 1HB ASP 92 -0.026 15.707 3.593 673 HB3 ASP 92 2HB ASP 92 -0.554 15.380 1.936 674 H ILE 93 H ILE 93 -1.035 12.578 1.271 675 HA ILE 93 HA ILE 93 -3.641 12.833 0.157 676 HB ILE 93 HB ILE 93 -1.840 10.423 -0.272 677 HG12 ILE 93 1HG1 ILE 93 -1.722 13.099 -1.752 678 HG13 ILE 93 2HG1 ILE 93 -0.492 12.417 -0.691 679 HG21 ILE 93 1HG2 ILE 93 -4.219 10.371 -1.182 680 HG22 ILE 93 2HG2 ILE 93 -3.759 11.832 -2.083 681 HG23 ILE 93 3HG2 ILE 93 -2.981 10.280 -2.447 682 HD11 ILE 93 3HD1 ILE 93 -1.255 11.489 -3.447 683 HD12 ILE 93 1HD1 ILE 93 0.347 11.863 -2.709 684 HD13 ILE 93 2HD1 ILE 93 -0.485 10.377 -2.292 685 H ILE 94 H ILE 94 -2.207 10.263 2.307 686 HA ILE 94 HA ILE 94 -4.712 8.773 2.137 687 HB ILE 94 HB ILE 94 -2.473 7.706 2.360 688 HG12 ILE 94 1HG1 ILE 94 -3.498 6.186 4.382 689 HG13 ILE 94 2HG1 ILE 94 -4.953 7.062 3.897 690 HG21 ILE 94 1HG2 ILE 94 -1.347 9.006 3.980 691 HG22 ILE 94 2HG2 ILE 94 -2.542 8.632 5.241 692 HG23 ILE 94 3HG2 ILE 94 -1.489 7.365 4.589 693 HD11 ILE 94 3HD1 ILE 94 -3.108 5.476 2.061 694 HD12 ILE 94 1HD1 ILE 94 -4.674 4.972 2.732 695 HD13 ILE 94 2HD1 ILE 94 -4.604 6.318 1.570 696 H HIS 95 H HIS 95 -3.200 11.027 4.493 697 HA HIS 95 HA HIS 95 -5.318 10.903 6.424 698 HD1 HIS 95 HD1 HIS 95 -1.605 13.724 7.584 699 HD2 HIS 95 HD2 HIS 95 -3.280 9.851 7.297 700 HE1 HIS 95 HE1 HIS 95 -0.131 12.159 8.978 701 HE2 HIS 95 HE2 HIS 95 -1.140 9.807 8.757 702 HB2 HIS 95 1HB HIS 95 -3.549 13.239 5.602 703 HB3 HIS 95 2HB HIS 95 -4.580 13.215 7.026 704 H GLY 96 H GLY 96 -5.296 12.105 3.203 705 HA2 GLY 96 1HA GLY 96 -7.520 14.011 3.526 706 HA3 GLY 96 2HA GLY 96 -6.677 13.560 2.025 707 H CYS 97 H CYS 97 -6.866 11.030 1.660 708 HA CYS 97 HA CYS 97 -9.512 10.370 0.966 709 HB2 CYS 97 1HB CYS 97 -6.998 8.730 1.415 710 HB3 CYS 97 2HB CYS 97 -8.491 8.036 0.807 711 H GLU 98 H GLU 98 -7.714 9.540 3.988 712 HA GLU 98 HA GLU 98 -9.645 7.779 5.019 713 HB2 GLU 98 1HB GLU 98 -7.314 9.337 6.194 714 HB3 GLU 98 2HB GLU 98 -8.481 8.625 7.281 715 HG2 GLU 98 1HG GLU 98 -7.015 7.153 5.123 716 HG3 GLU 98 2HG GLU 98 -6.557 7.178 6.831 717 H LYS 99 H LYS 99 -9.966 11.101 4.426 718 HA LYS 99 HA LYS 99 -12.049 11.428 6.511 719 HB2 LYS 99 1HB LYS 99 -10.080 13.359 5.266 720 HB3 LYS 99 2HB LYS 99 -11.652 13.952 5.760 721 HG2 LYS 99 1HG LYS 99 -9.895 14.325 7.406 722 HG3 LYS 99 2HG LYS 99 -11.283 13.472 8.048 723 HD2 LYS 99 1HD LYS 99 -8.973 11.767 7.149 724 HD3 LYS 99 2HD LYS 99 -8.718 12.804 8.561 725 HE2 LYS 99 1HE LYS 99 -10.496 11.815 9.798 726 HE3 LYS 99 2HE LYS 99 -11.166 11.035 8.367 727 HZ1 LYS 99 3HZ LYS 99 -9.936 9.592 9.916 728 HZ2 LYS 99 1HZ LYS 99 -9.597 9.460 8.345 729 HZ3 LYS 99 2HZ LYS 99 -8.511 10.260 9.328 730 H SER 100 H SER 100 -11.246 11.939 2.985 731 HA SER 100 HA SER 100 -13.803 12.845 2.268 732 HG SER 100 HG SER 100 -11.208 13.518 0.001 733 HB2 SER 100 1HB SER 100 -11.566 11.385 0.795 734 HB3 SER 100 2HB SER 100 -12.953 12.135 0.024 735 H ALA 101 H ALA 101 -12.653 9.602 2.962 736 HA ALA 101 HA ALA 101 -14.128 7.982 1.461 737 HB1 ALA 101 1HB ALA 101 -13.552 7.679 4.436 738 HB2 ALA 101 2HB ALA 101 -13.964 6.345 3.330 739 HB3 ALA 101 3HB ALA 101 -12.464 7.247 3.091 740 HA PRO 102 HA PRO 102 -18.386 8.503 2.349 741 HB2 PRO 102 1HB PRO 102 -19.448 6.023 1.773 742 HB3 PRO 102 2HB PRO 102 -18.804 7.148 0.541 743 HG2 PRO 102 1HG PRO 102 -17.410 4.790 1.838 744 HG3 PRO 102 2HG PRO 102 -17.426 5.245 0.105 745 HD2 PRO 102 1HD PRO 102 -15.364 5.853 1.743 746 HD3 PRO 102 2HD PRO 102 -15.843 6.959 0.426 747 HA PRO 103 HA PRO 103 -19.144 7.222 6.543 748 HB2 PRO 103 1HB PRO 103 -21.871 7.375 6.759 749 HB3 PRO 103 2HB PRO 103 -20.830 8.816 6.586 750 HG2 PRO 103 1HG PRO 103 -22.374 7.365 4.415 751 HG3 PRO 103 2HG PRO 103 -22.295 9.120 4.735 752 HD2 PRO 103 1HD PRO 103 -20.738 7.910 2.845 753 HD3 PRO 103 2HD PRO 103 -20.130 9.289 3.805 754 H ASN 104 H ASN 104 -18.442 5.135 6.577 755 HA ASN 104 HA ASN 104 -20.497 3.009 6.412 756 HB2 ASN 104 1HB ASN 104 -19.529 3.093 4.130 757 HB3 ASN 104 2HB ASN 104 -17.918 2.832 4.782 758 HD21 ASN 104 2HD2 ASN 104 -17.305 0.680 4.563 759 HD22 ASN 104 1HD2 ASN 104 -18.392 -0.690 4.758 760 H ASP 105 H ASP 105 -17.052 3.597 6.711 761 HA ASP 105 HA ASP 105 -15.343 2.710 7.801 762 HB2 ASP 105 1HB ASP 105 -17.145 2.239 10.193 763 HB3 ASP 105 2HB ASP 105 -15.372 2.116 10.097 764 H ASP 106 H ASP 106 -14.253 0.736 8.102 765 HA ASP 106 HA ASP 106 -15.346 -1.813 8.636 766 HB2 ASP 106 1HB ASP 106 -16.219 -1.236 6.189 767 HB3 ASP 106 2HB ASP 106 -14.529 -1.378 5.754 768 H LYS 107 H LYS 107 -13.390 -3.451 8.125 769 HA LYS 107 HA LYS 107 -10.876 -1.921 8.353 770 HB2 LYS 107 1HB LYS 107 -11.701 -4.832 8.655 771 HB3 LYS 107 2HB LYS 107 -9.989 -4.392 8.505 772 HG2 LYS 107 1HG LYS 107 -11.884 -3.516 10.679 773 HG3 LYS 107 2HG LYS 107 -10.538 -4.642 10.765 774 HD2 LYS 107 1HD LYS 107 -9.131 -2.502 9.885 775 HD3 LYS 107 2HD LYS 107 -10.506 -1.624 10.560 776 HE2 LYS 107 1HE LYS 107 -9.080 -1.628 12.360 777 HE3 LYS 107 2HE LYS 107 -10.058 -3.055 12.713 778 HZ1 LYS 107 3HZ LYS 107 -8.203 -4.309 11.517 779 HZ2 LYS 107 1HZ LYS 107 -7.341 -2.917 11.604 780 HZ3 LYS 107 2HZ LYS 107 -7.838 -3.640 13.002 781 H CYS 108 H CYS 108 -12.781 -3.384 5.927 782 HA CYS 108 HA CYS 108 -10.412 -3.581 4.129 783 HB2 CYS 108 1HB CYS 108 -12.972 -5.152 3.977 784 HB3 CYS 108 2HB CYS 108 -11.523 -5.356 3.000 785 H MET 109 H MET 109 -14.014 -3.100 4.213 786 HA MET 109 HA MET 109 -14.244 -2.158 1.547 787 HB2 MET 109 1HB MET 109 -16.024 -1.593 3.949 788 HB3 MET 109 2HB MET 109 -16.471 -1.259 2.304 789 HG2 MET 109 1HG MET 109 -15.595 -4.064 2.767 790 HG3 MET 109 2HG MET 109 -17.014 -3.580 3.671 791 HE1 MET 109 3HE MET 109 -17.021 -3.039 -0.936 792 HE2 MET 109 1HE MET 109 -16.338 -1.873 0.210 793 HE3 MET 109 2HE MET 109 -15.528 -3.437 -0.055 794 H LYS 110 H LYS 110 -14.016 -0.281 4.558 795 HA LYS 110 HA LYS 110 -13.916 2.357 3.515 796 HB2 LYS 110 1HB LYS 110 -14.239 2.079 5.848 797 HB3 LYS 110 2HB LYS 110 -12.925 0.921 5.975 798 HG2 LYS 110 1HG LYS 110 -12.150 2.723 7.124 799 HG3 LYS 110 2HG LYS 110 -11.281 2.775 5.611 800 HD2 LYS 110 1HD LYS 110 -11.739 4.987 6.064 801 HD3 LYS 110 2HD LYS 110 -12.992 4.591 4.881 802 HE2 LYS 110 1HE LYS 110 -14.704 4.649 6.510 803 HE3 LYS 110 2HE LYS 110 -13.624 4.218 7.833 804 HZ1 LYS 110 3HZ LYS 110 -14.424 6.489 7.866 805 HZ2 LYS 110 1HZ LYS 110 -12.779 6.417 7.891 806 HZ3 LYS 110 2HZ LYS 110 -13.591 6.871 6.520 807 H THR 111 H THR 111 -11.148 0.122 4.329 808 HA THR 111 HA THR 111 -9.119 1.681 3.354 809 HB THR 111 HB THR 111 -9.455 -1.341 3.346 810 HG1 THR 111 1HG THR 111 -8.735 0.560 5.318 811 HG21 THR 111 3HG2 THR 111 -7.010 -1.456 3.681 812 HG22 THR 111 1HG2 THR 111 -7.478 -0.886 2.067 813 HG23 THR 111 2HG2 THR 111 -6.900 0.280 3.287 814 H ILE 112 H ILE 112 -11.275 -0.449 1.405 815 HA ILE 112 HA ILE 112 -9.708 -0.213 -0.963 816 HB ILE 112 HB ILE 112 -12.646 -0.845 -0.515 817 HG12 ILE 112 1HG1 ILE 112 -10.265 -2.536 -1.416 818 HG13 ILE 112 2HG1 ILE 112 -10.777 -2.395 0.233 819 HG21 ILE 112 1HG2 ILE 112 -12.543 0.136 -2.752 820 HG22 ILE 112 2HG2 ILE 112 -11.130 -0.857 -3.164 821 HG23 ILE 112 3HG2 ILE 112 -12.721 -1.604 -2.907 822 HD11 ILE 112 3HD1 ILE 112 -11.716 -4.414 -0.584 823 HD12 ILE 112 1HD1 ILE 112 -13.050 -3.256 -0.411 824 HD13 ILE 112 2HD1 ILE 112 -12.365 -3.619 -2.018 825 H ASP 113 H ASP 113 -12.377 1.838 0.317 826 HA ASP 113 HA ASP 113 -12.575 3.636 -1.876 827 HB2 ASP 113 1HB ASP 113 -14.171 3.722 0.106 828 HB3 ASP 113 2HB ASP 113 -12.861 4.353 1.084 829 H VAL 114 H VAL 114 -10.760 3.897 1.180 830 HA VAL 114 HA VAL 114 -9.440 6.232 0.598 831 HB VAL 114 HB VAL 114 -8.677 3.881 2.371 832 HG11 VAL 114 1HG1 VAL 114 -7.649 6.733 2.652 833 HG12 VAL 114 2HG1 VAL 114 -7.236 5.316 3.637 834 HG13 VAL 114 3HG1 VAL 114 -6.723 5.391 1.952 835 HG21 VAL 114 3HG2 VAL 114 -9.713 5.203 4.166 836 HG22 VAL 114 1HG2 VAL 114 -10.062 6.523 3.032 837 HG23 VAL 114 2HG2 VAL 114 -10.893 4.977 2.882 838 H ALA 115 H ALA 115 -8.292 2.875 -0.084 839 HA ALA 115 HA ALA 115 -5.786 3.677 -1.182 840 HB1 ALA 115 1HB ALA 115 -5.601 1.387 -1.892 841 HB2 ALA 115 2HB ALA 115 -6.379 1.397 -0.312 842 HB3 ALA 115 3HB ALA 115 -7.364 1.137 -1.768 843 H MET 116 H MET 116 -9.009 3.141 -2.760 844 HA MET 116 HA MET 116 -7.809 3.520 -5.402 845 HB2 MET 116 1HB MET 116 -9.961 3.357 -6.337 846 HB3 MET 116 2HB MET 116 -9.751 2.069 -5.175 847 HG2 MET 116 1HG MET 116 -11.349 3.023 -3.700 848 HG3 MET 116 2HG MET 116 -11.291 4.581 -4.422 849 HE1 MET 116 3HE MET 116 -13.271 0.827 -6.323 850 HE2 MET 116 1HE MET 116 -11.545 1.113 -6.601 851 HE3 MET 116 2HE MET 116 -12.150 0.827 -4.948 852 H CYS 117 H CYS 117 -9.429 5.552 -3.030 853 HA CYS 117 HA CYS 117 -9.720 7.939 -4.499 854 HB2 CYS 117 1HB CYS 117 -10.773 7.815 -2.367 855 HB3 CYS 117 2HB CYS 117 -9.327 7.235 -1.568 856 H PHE 118 H PHE 118 -7.008 6.664 -2.453 857 HA PHE 118 HA PHE 118 -5.226 8.709 -2.729 858 HD1 PHE 118 HD1 PHE 118 -2.285 6.902 -4.067 859 HD2 PHE 118 HD2 PHE 118 -3.402 7.515 0.050 860 HE1 PHE 118 HE1 PHE 118 0.052 7.535 -3.510 861 HE2 PHE 118 HE2 PHE 118 -1.061 8.113 0.585 862 HZ PHE 118 HZ PHE 118 0.646 8.223 -1.199 863 HB2 PHE 118 1HB PHE 118 -4.960 6.567 -1.392 864 HB3 PHE 118 2HB PHE 118 -4.432 5.789 -2.880 865 H LYS 119 H LYS 119 -5.774 6.076 -5.284 866 HA LYS 119 HA LYS 119 -3.838 7.099 -7.015 867 HB2 LYS 119 1HB LYS 119 -5.184 4.902 -7.087 868 HB3 LYS 119 2HB LYS 119 -6.391 5.838 -7.988 869 HG2 LYS 119 1HG LYS 119 -4.371 6.620 -9.473 870 HG3 LYS 119 2HG LYS 119 -3.459 5.348 -8.702 871 HD2 LYS 119 1HD LYS 119 -6.076 4.947 -10.214 872 HD3 LYS 119 2HD LYS 119 -4.478 4.639 -10.899 873 HE2 LYS 119 1HE LYS 119 -5.301 3.327 -8.277 874 HE3 LYS 119 2HE LYS 119 -5.940 2.713 -9.745 875 HZ1 LYS 119 3HZ LYS 119 -3.536 2.439 -10.463 876 HZ2 LYS 119 1HZ LYS 119 -3.104 2.935 -8.943 877 HZ3 LYS 119 2HZ LYS 119 -3.970 1.555 -9.134 878 H LYS 120 H LYS 120 -7.298 8.118 -6.646 879 HA LYS 120 HA LYS 120 -7.288 9.837 -8.981 880 HB2 LYS 120 1HB LYS 120 -9.045 9.631 -6.503 881 HB3 LYS 120 2HB LYS 120 -9.104 11.056 -7.529 882 HG2 LYS 120 1HG LYS 120 -10.801 9.807 -8.398 883 HG3 LYS 120 2HG LYS 120 -9.474 9.503 -9.516 884 HD2 LYS 120 1HD LYS 120 -9.071 7.309 -8.371 885 HD3 LYS 120 2HD LYS 120 -10.504 7.631 -7.352 886 HE2 LYS 120 1HE LYS 120 -11.821 7.971 -9.482 887 HE3 LYS 120 2HE LYS 120 -10.401 7.477 -10.404 888 HZ1 LYS 120 3HZ LYS 120 -10.537 5.344 -9.152 889 HZ2 LYS 120 1HZ LYS 120 -11.988 5.830 -8.542 890 HZ3 LYS 120 2HZ LYS 120 -11.815 5.599 -10.170 891 H GLU 121 H GLU 121 -6.401 10.271 -5.524 892 HA GLU 121 HA GLU 121 -6.054 13.105 -5.718 893 HB2 GLU 121 1HB GLU 121 -4.894 11.054 -3.866 894 HB3 GLU 121 2HB GLU 121 -4.774 12.802 -3.637 895 HG2 GLU 121 1HG GLU 121 -7.418 11.275 -3.696 896 HG3 GLU 121 2HG GLU 121 -6.449 11.650 -2.258 897 H ILE 122 H ILE 122 -3.885 10.484 -6.730 898 HA ILE 122 HA ILE 122 -1.485 11.896 -6.544 899 HB ILE 122 HB ILE 122 -2.236 10.110 -8.878 900 HG12 ILE 122 1HG1 ILE 122 -2.912 8.941 -6.826 901 HG13 ILE 122 2HG1 ILE 122 -1.856 8.102 -7.891 902 HG21 ILE 122 1HG2 ILE 122 -0.005 10.956 -9.086 903 HG22 ILE 122 2HG2 ILE 122 0.410 10.422 -7.437 904 HG23 ILE 122 3HG2 ILE 122 0.063 9.222 -8.701 905 HD11 ILE 122 3HD1 ILE 122 -1.219 7.545 -5.722 906 HD12 ILE 122 1HD1 ILE 122 0.058 8.583 -6.278 907 HD13 ILE 122 2HD1 ILE 122 -1.181 9.247 -5.169 908 H HIS 123 H HIS 123 -4.169 12.749 -8.587 909 HA HIS 123 HA HIS 123 -2.796 13.984 -10.792 910 HD1 HIS 123 HD1 HIS 123 -5.855 14.433 -13.062 911 HD2 HIS 123 HD2 HIS 123 -5.084 11.406 -10.192 912 HE1 HIS 123 HE1 HIS 123 -6.550 12.189 -14.107 913 HE2 HIS 123 HE2 HIS 123 -6.081 10.378 -12.395 914 HB2 HIS 123 1HB HIS 123 -5.506 14.372 -9.469 915 HB3 HIS 123 2HB HIS 123 -4.970 15.331 -10.829 916 H LYS 124 H LYS 124 -2.505 14.699 -7.474 917 HA LYS 124 HA LYS 124 -2.512 17.642 -7.694 918 HB2 LYS 124 1HB LYS 124 -2.143 15.637 -5.428 919 HB3 LYS 124 2HB LYS 124 -2.070 17.381 -5.223 920 HG2 LYS 124 1HG LYS 124 -4.373 17.635 -5.958 921 HG3 LYS 124 2HG LYS 124 -4.519 15.902 -6.294 922 HD2 LYS 124 1HD LYS 124 -4.263 15.311 -3.976 923 HD3 LYS 124 2HD LYS 124 -3.836 16.983 -3.531 924 HE2 LYS 124 1HE LYS 124 -6.097 17.696 -4.530 925 HE3 LYS 124 2HE LYS 124 -6.531 15.976 -4.543 926 HZ1 LYS 124 3HZ LYS 124 -7.313 17.038 -2.550 927 HZ2 LYS 124 1HZ LYS 124 -6.199 15.929 -2.192 928 HZ3 LYS 124 2HZ LYS 124 -5.783 17.548 -2.148 929 H LEU 125 H LEU 125 -0.300 14.986 -8.324 930 HA LEU 125 HA LEU 125 1.976 16.606 -7.363 931 HG LEU 125 HG LEU 125 0.201 14.597 -5.766 932 HB2 LEU 125 1HB LEU 125 1.871 13.650 -7.536 933 HB3 LEU 125 2HB LEU 125 3.032 14.631 -6.650 934 HD11 LEU 125 1HD1 LEU 125 2.157 12.399 -5.053 935 HD12 LEU 125 2HD1 LEU 125 0.408 12.545 -4.653 936 HD13 LEU 125 3HD1 LEU 125 0.899 12.237 -6.295 937 HD21 LEU 125 3HD2 LEU 125 1.122 14.734 -3.512 938 HD22 LEU 125 1HD2 LEU 125 2.771 14.627 -4.153 939 HD23 LEU 125 2HD2 LEU 125 1.748 16.043 -4.533 940 H ASN 126 H ASN 126 3.542 16.419 -8.687 941 HA ASN 126 HA ASN 126 2.956 15.352 -11.483 942 HB2 ASN 126 1HB ASN 126 3.919 18.069 -10.717 943 HB3 ASN 126 2HB ASN 126 4.094 17.386 -12.321 944 HD21 ASN 126 2HD2 ASN 126 1.055 16.485 -10.614 945 HD22 ASN 126 1HD2 ASN 126 0.142 17.450 -11.713 946 H TRP 127 H TRP 127 3.979 13.856 -9.808 947 HA TRP 127 HA TRP 127 6.485 13.022 -11.120 948 HD1 TRP 127 HD1 TRP 127 5.187 15.011 -7.612 949 HE1 TRP 127 HE1 TRP 127 4.753 14.535 -5.240 950 HE3 TRP 127 HE3 TRP 127 7.750 10.570 -7.238 951 HZ2 TRP 127 HZ2 TRP 127 5.355 12.498 -3.301 952 HZ3 TRP 127 HZ3 TRP 127 7.852 9.426 -5.081 953 HH2 TRP 127 HH2 TRP 127 6.666 10.338 -3.087 954 HB2 TRP 127 1HB TRP 127 7.686 12.428 -9.081 955 HB3 TRP 127 2HB TRP 127 7.391 14.141 -9.156 956 H VAL 128 H VAL 128 6.908 10.533 -9.999 957 HA VAL 128 HA VAL 128 4.204 9.343 -9.675 958 HB VAL 128 HB VAL 128 6.531 7.978 -11.012 959 HG11 VAL 128 1HG1 VAL 128 4.823 6.412 -11.703 960 HG12 VAL 128 2HG1 VAL 128 4.719 6.609 -9.970 961 HG13 VAL 128 3HG1 VAL 128 3.530 7.424 -11.013 962 HG21 VAL 128 3HG2 VAL 128 5.365 8.404 -13.164 963 HG22 VAL 128 1HG2 VAL 128 4.239 9.499 -12.333 964 HG23 VAL 128 2HG2 VAL 128 5.967 9.887 -12.459 965 HA PRO 129 HA PRO 129 6.331 7.982 -5.972 966 HB2 PRO 129 1HB PRO 129 4.173 7.040 -4.568 967 HB3 PRO 129 2HB PRO 129 4.568 8.778 -4.698 968 HG2 PRO 129 1HG PRO 129 2.432 7.255 -6.130 969 HG3 PRO 129 2HG PRO 129 2.464 8.951 -5.549 970 HD2 PRO 129 1HD PRO 129 3.025 7.932 -8.183 971 HD3 PRO 129 2HD PRO 129 3.271 9.595 -7.629 972 H ASN 130 H ASN 130 7.291 6.046 -5.818 973 HA ASN 130 HA ASN 130 6.916 4.027 -7.698 974 HB2 ASN 130 1HB ASN 130 8.084 3.610 -4.894 975 HB3 ASN 130 2HB ASN 130 8.319 2.572 -6.295 976 HD21 ASN 130 2HD2 ASN 130 9.827 4.983 -4.576 977 HD22 ASN 130 1HD2 ASN 130 10.765 5.720 -5.877 978 H MET 131 H MET 131 6.108 1.802 -7.479 979 HA MET 131 HA MET 131 3.536 1.570 -6.344 980 HB2 MET 131 1HB MET 131 3.720 -0.823 -6.737 981 HB3 MET 131 2HB MET 131 4.327 0.098 -8.103 982 HG2 MET 131 1HG MET 131 6.268 -0.928 -8.072 983 HG3 MET 131 2HG MET 131 6.579 -0.483 -6.409 984 HE1 MET 131 3HE MET 131 5.160 -3.485 -4.362 985 HE2 MET 131 1HE MET 131 6.182 -2.036 -4.318 986 HE3 MET 131 2HE MET 131 4.448 -1.893 -4.694 987 H ASP 132 H ASP 132 6.701 0.904 -4.867 988 HA ASP 132 HA ASP 132 5.817 -0.346 -2.468 989 HB2 ASP 132 1HB ASP 132 8.200 1.552 -2.765 990 HB3 ASP 132 2HB ASP 132 8.044 0.238 -1.616 991 H LEU 133 H LEU 133 6.371 3.041 -3.399 992 HA LEU 133 HA LEU 133 6.080 4.210 -0.926 993 HG LEU 133 HG LEU 133 6.103 6.856 -1.620 994 HB2 LEU 133 1HB LEU 133 7.031 4.746 -3.445 995 HB3 LEU 133 2HB LEU 133 5.485 5.572 -3.540 996 HD11 LEU 133 1HD1 LEU 133 8.554 6.931 -0.965 997 HD12 LEU 133 2HD1 LEU 133 7.506 5.715 -0.261 998 HD13 LEU 133 3HD1 LEU 133 8.632 5.254 -1.582 999 HD21 LEU 133 3HD2 LEU 133 7.946 8.184 -2.770 1000 HD22 LEU 133 1HD2 LEU 133 8.206 6.795 -3.842 1001 HD23 LEU 133 2HD2 LEU 133 6.663 7.678 -3.861 1002 H VAL 134 H VAL 134 3.797 3.691 -3.635 1003 HA VAL 134 HA VAL 134 1.548 5.066 -2.551 1004 HB VAL 134 HB VAL 134 1.826 2.743 -4.520 1005 HG11 VAL 134 1HG1 VAL 134 -0.439 2.661 -3.621 1006 HG12 VAL 134 2HG1 VAL 134 -0.641 4.402 -3.865 1007 HG13 VAL 134 3HG1 VAL 134 -0.484 3.309 -5.269 1008 HG21 VAL 134 3HG2 VAL 134 2.806 4.921 -5.252 1009 HG22 VAL 134 1HG2 VAL 134 1.415 4.456 -6.228 1010 HG23 VAL 134 2HG2 VAL 134 1.234 5.697 -4.968 1011 H ILE 135 H ILE 135 2.512 1.598 -2.355 1012 HA ILE 135 HA ILE 135 0.207 0.859 -0.806 1013 HB ILE 135 HB ILE 135 2.873 -0.521 -1.237 1014 HG12 ILE 135 1HG1 ILE 135 0.154 -1.097 -2.473 1015 HG13 ILE 135 2HG1 ILE 135 1.369 -0.121 -3.278 1016 HG21 ILE 135 1HG2 ILE 135 1.515 -2.585 -0.477 1017 HG22 ILE 135 2HG2 ILE 135 1.918 -1.415 0.765 1018 HG23 ILE 135 3HG2 ILE 135 0.270 -1.453 0.085 1019 HD11 ILE 135 3HD1 ILE 135 1.520 -3.082 -2.652 1020 HD12 ILE 135 1HD1 ILE 135 1.605 -2.260 -4.218 1021 HD13 ILE 135 2HD1 ILE 135 2.954 -2.119 -3.076 1022 H GLY 136 H GLY 136 3.659 1.252 0.173 1023 HA2 GLY 136 1HA GLY 136 3.756 1.167 2.790 1024 HA3 GLY 136 2HA GLY 136 4.474 2.543 1.947 1025 H GLU 137 H GLU 137 2.093 4.057 1.321 1026 HA GLU 137 HA GLU 137 1.667 5.215 3.967 1027 HB2 GLU 137 1HB GLU 137 0.191 5.813 1.377 1028 HB3 GLU 137 2HB GLU 137 0.121 6.761 2.863 1029 HG2 GLU 137 1HG GLU 137 2.394 6.493 0.916 1030 HG3 GLU 137 2HG GLU 137 1.483 7.903 1.442 1031 H VAL 138 H VAL 138 -0.563 3.350 1.762 1032 HA VAL 138 HA VAL 138 -2.776 3.502 3.511 1033 HB VAL 138 HB VAL 138 -2.492 2.532 1.040 1034 HG11 VAL 138 1HG1 VAL 138 -1.271 0.410 1.629 1035 HG12 VAL 138 2HG1 VAL 138 -2.655 -0.056 2.622 1036 HG13 VAL 138 3HG1 VAL 138 -2.823 0.143 0.861 1037 HG21 VAL 138 3HG2 VAL 138 -4.722 1.379 1.389 1038 HG22 VAL 138 1HG2 VAL 138 -4.502 1.668 3.137 1039 HG23 VAL 138 2HG2 VAL 138 -4.605 3.020 1.988 1040 H LEU 139 H LEU 139 -0.076 1.249 3.417 1041 HA LEU 139 HA LEU 139 -0.831 -0.431 5.583 1042 HG LEU 139 HG LEU 139 0.895 -0.667 2.672 1043 HB2 LEU 139 1HB LEU 139 1.946 0.305 4.567 1044 HB3 LEU 139 2HB LEU 139 1.540 -1.037 5.598 1045 HD11 LEU 139 1HD1 LEU 139 2.391 -2.796 4.245 1046 HD12 LEU 139 2HD1 LEU 139 2.055 -2.873 2.500 1047 HD13 LEU 139 3HD1 LEU 139 3.070 -1.577 3.133 1048 HD21 LEU 139 3HD2 LEU 139 -1.167 -1.536 3.631 1049 HD22 LEU 139 1HD2 LEU 139 -0.355 -2.759 2.657 1050 HD23 LEU 139 2HD2 LEU 139 -0.256 -2.818 4.432 1051 H ALA 140 H ALA 140 0.311 2.753 5.638 1052 HA ALA 140 HA ALA 140 1.400 2.597 8.390 1053 HB1 ALA 140 1HB ALA 140 1.172 4.908 6.399 1054 HB2 ALA 140 2HB ALA 140 1.772 5.070 8.034 1055 HB3 ALA 140 3HB ALA 140 2.642 4.034 6.874 1056 H GLU 141 H GLU 141 -1.392 4.160 6.618 1057 HA GLU 141 HA GLU 141 -2.482 5.245 9.053 1058 HB2 GLU 141 1HB GLU 141 -3.212 5.003 6.181 1059 HB3 GLU 141 2HB GLU 141 -4.587 4.900 7.217 1060 HG2 GLU 141 1HG GLU 141 -2.570 7.160 7.049 1061 HG3 GLU 141 2HG GLU 141 -4.257 7.279 6.551 1062 H VAL 142 H VAL 142 -3.161 2.326 7.132 1063 HA VAL 142 HA VAL 142 -5.362 1.413 8.660 1064 HB VAL 142 HB VAL 142 -3.513 0.070 6.617 1065 HG11 VAL 142 1HG1 VAL 142 -6.216 -0.851 7.726 1066 HG12 VAL 142 2HG1 VAL 142 -5.410 -1.528 6.303 1067 HG13 VAL 142 3HG1 VAL 142 -4.664 -1.692 7.914 1068 HG21 VAL 142 3HG2 VAL 142 -4.896 2.032 5.795 1069 HG22 VAL 142 1HG2 VAL 142 -5.313 0.488 5.044 1070 HG23 VAL 142 2HG2 VAL 142 -6.342 1.168 6.313
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